A0A077Z553_TRITR Loading...

Phenylalanine--tRNA ligase alpha subunit

AlphaFold DB , UniProt , Accession A0A077Z553, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 509 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	29.9	Very low	31.2	Very low	246 Å²	246	122.5 Å²	122.5	100%	1.212	71%	0.709	S	S	*	*				0	116.3	0	-100.8	175	-180	0	0	107.7
2	A	29.2	Very low	31.4	Very low	96 Å²	96	121.5 Å²	121.5	79%	0.793	70%	0.7	S	S	*	*			trans	48.6	104.2	168.4	0	0	0	0	0	118.2
3	L	28.5	Very low	31.9	Very low	162 Å²	162	118.8 Å²	118.8	85%	0.848	69%	0.686	S	S	*	*			trans	-168.8	126.5	140.1	-98.1	150.1	0	0	0	110
4	N	29.9	Very low	32.3	Very low	134 Å²	134	121.3 Å²	121.3	72%	0.717	69%	0.688	S	S	*	*			trans	77.9	69.5	160.2	-55.9	-12.6	0	0	0	118.6	V6	N4-V6 PolarHBondContact O-N 2.92Å
5	A	29.2	Very low	33	Very low	107 Å²	107	119.8 Å²	119.8	88%	0.884	68%	0.678	S	S	*	*			trans	-77	100.3	142.9	0	0	0	0	0	107.1
6	V	34.1	Very low	33.8	Very low	108 Å²	108	117.7 Å²	117.7	66%	0.655	67%	0.668	S	S	*	*			trans	-69	129.2	173.9	175.2	0	0	0	0	108	N4 H8	N4-V6 PolarHBondContact O-N 2.92Å; V6-H8 PolarHBondContact O-N 2.99Å
7	D	29.3	Very low	34.8	Very low	97 Å²	97	118.5 Å²	118.5	52%	0.519	67%	0.665	S	S	.	*			trans	-63.9	93	-176.9	-171.3	9.1	0	0	0	111.3	S9 S10	D7-S9 PolarHBondContact O-N 3.25Å; D7-S9 WeakPolarHBondContact OD1-CB 3.23Å; D7-S9 PolarHBondContact OD1-N 2.96Å; D7-S9 PolarHBondContact OD1-OG 3.17Å; D7-S10 PolarHBondContact O-OG 3.44Å
8	H	33.1	Very low	36	Very low	136 Å²	136	114 Å²	114	63%	0.63	64%	0.643	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.2	-5.5	173.7	-78.1	-35.2	0	0	0	113.2	V6	V6-H8 PolarHBondContact O-N 2.99Å
9	S	32	Very low	37.2	Very low	76 Å²	76	112.8 Å²	112.8	53%	0.531	63%	0.632	S	S	.	*	T	Hydrogen-bonded Turn	trans	-80.6	-21.2	-174.1	74.5	0	0	0	0	114.3	D7	D7-S9 PolarHBondContact O-N 3.25Å; D7-S9 WeakPolarHBondContact OD1-CB 3.23Å; D7-S9 PolarHBondContact OD1-N 2.96Å; D7-S9 PolarHBondContact OD1-OG 3.17Å
10	S	34.8	Very low	39.2	Very low	65 Å²	65	111.4 Å²	111.4	46%	0.455	62%	0.622	S	S	.	*	T	Hydrogen-bonded Turn	trans	-87.1	-27.4	-176.9	37.3	0	0	0	0	113.8	D7	D7-S10 PolarHBondContact O-OG 3.44Å
11	Q	33.7	Very low	41.4	Very low	120 Å²	120	106.8 Å²	106.8	56%	0.561	60%	0.597	S	S	*	*	H	α-helix	trans	-72.6	-37.7	176.3	-76.2	-176.5	-45.1	0	0	112.4	V13 E14 D15	Q11-V13 VanDerWaalsContact C-N 3.25Å; Q11-V13 PolarHBondContact O-N 2.82Å; Q11-E14 PolarHBondContact O-N 3.2Å; Q11-D15 PolarHBondContact O-N 3.03Å
12	D	33.3	Very low	44	Very low	111 Å²	111	95.2 Å²	95.2	59%	0.594	54%	0.54	S	S	*	.	H	α-helix	trans	-65.7	-27.4	-178.6	-71	-23.5	0	0	0	113	T16	D12-T16 PolarHBondContact O-N 3.27Å; D12-T16 PolarHBondContact O-OG1 3.04Å
13	V	37.5	Very low	46.7	Very low	86 Å²	86	94.8 Å²	94.8	52%	0.521	52%	0.522	S	S	.	.	H	α-helix	trans	-80.4	-33.1	-179.7	-178.7	0	0	0	0	112.2	Q11 T16	Q11-V13 VanDerWaalsContact C-N 3.25Å; Q11-V13 PolarHBondContact O-N 2.82Å; V13-T16 WeakPolarHBondContact CA-OG1 3.23Å; V13-T16 PolarHBondContact O-OG1 2.91Å
14	E	37.4	Very low	49.5	Very low	154 Å²	154	91.4 Å²	91.4	72%	0.72	50%	0.5	S	S	*	.	H	α-helix	trans	-73.2	-39.6	174.8	-77.9	-172.4	161.8	0	0	111.7	Q11 T16 Q17 S18	Q11-E14 PolarHBondContact O-N 3.2Å; E14-T16 PolarHBondContact O-N 3.17Å; E14-Q17 PolarHBondContact O-N 3.19Å; E14-S18 PolarHBondContact O-N 3.41Å
15	D	43.1	Very low	52.3	Low	99 Å²	99	85 Å²	85	53%	0.529	47%	0.466	S	S	.	.	H	α-helix	trans	-65.3	-40.5	179.3	-86.4	-17.5	0	0	0	111.7	Q11 Q17 S18 E19	Q11-D15 PolarHBondContact O-N 3.03Å; D15-Q17 PolarHBondContact O-N 2.97Å; D15-S18 PolarHBondContact O-N 3.06Å; D15-S18 VanDerWaalsContact O-N 3.17Å; D15-S18 PolarHBondContact O-OG 3.46Å; D15-E19 PolarHBondContact O-N 3.15Å
16	T	46.3	Very low	55.2	Low	86 Å²	86	79.9 Å²	79.9	53%	0.528	42%	0.424	S	S	.	.	H	α-helix	trans	-66.6	-35.2	-180	35.4	0	0	0	0	114	D12 V13 E14 S18	D12-T16 PolarHBondContact O-N 3.27Å; D12-T16 PolarHBondContact O-OG1 3.04Å; V13-T16 WeakPolarHBondContact CA-OG1 3.23Å; V13-T16 PolarHBondContact O-OG1 2.91Å; E14-T16 PolarHBondContact O-N 3.17Å; T16-S18 VanDerWaalsContact C-N 3.34Å
17	Q	50.9	Low	57.8	Low	132 Å²	132	78.9 Å²	78.9	62%	0.617	41%	0.414	S	S	*	.	H	α-helix	trans	-71.7	-30.7	173.3	-71.9	-170.2	3.1	0	0	112.4	E14 D15 L21	E14-Q17 PolarHBondContact O-N 3.19Å; D15-Q17 PolarHBondContact O-N 2.97Å; Q17-L21 WeakPolarHBondContact O-CB 3.32Å; Q17-L21 PolarHBondContact O-N 2.91Å
18	S	55.7	Low	60.6	Low	37 Å²	37	74.7 Å²	74.7	26%	0.259	39%	0.393	S	S	.	.	H	α-helix	trans	-74.6	-36.2	178.8	89.6	0	0	0	0	112.8	E14 D15 T16 L21 G22	E14-S18 PolarHBondContact O-N 3.41Å; D15-S18 PolarHBondContact O-N 3.06Å; D15-S18 VanDerWaalsContact O-N 3.17Å; D15-S18 PolarHBondContact O-OG 3.46Å; T16-S18 VanDerWaalsContact C-N 3.34Å; S18-L21 PolarHBondContact O-N 3.48Å; S18-G22 PolarHBondContact O-N 3.05Å
19	E	58.5	Low	63.3	Low	92 Å²	92	68.2 Å²	68.2	43%	0.43	36%	0.363	S	S	.	.	H	α-helix	trans	-65.4	-47	179.4	-77.5	-171.6	160.3	0	0	111.2	D15 L21 G22 E23 K201	D15-E19 PolarHBondContact O-N 3.15Å; E19-L21 VanDerWaalsContact C-N 3.3Å; E19-L21 PolarHBondContact O-N 3.36Å; E19-G22 PolarHBondContact O-N 2.91Å; E19-E23 PolarHBondContact O-N 2.73Å; E19-E23 VanDerWaalsContact O-N 3.12Å; E19-K201 IonicContact OE1-NZ 2.76Å; E19-K201 IonicContact OE2-NZ 3.74Å
20	D	77.9	Confident	66	Low	83 Å²	83	68.2 Å²	68.2	44%	0.444	36%	0.358	S	S	.	.	H	α-helix	trans	-62.7	-37.2	176.3	177.7	41.7	0	0	0	111.8	K24	D20-K24 VanDerWaalsContact CG-NZ 3.34Å; D20-K24 WeakPolarHBondContact O-CB 3.44Å; D20-K24 WeakPolarHBondContact O-CD 3.33Å; D20-K24 VanDerWaalsContact O-CG 3.27Å; D20-K24 WeakPolarHBondContact O-CG 3.25Å; D20-K24 PolarHBondContact O-N 3Å; D20-K24 VanDerWaalsContact O-N 3.15Å; D20-K24 VanDerWaalsContact OD1-CE 3.23Å; D20-K24 WeakPolarHBondContact OD1-CE 3.31Å; D20-K24 IonicContact OD1-NZ 3.07Å; D20-K24 PolarHBondContact OD1-NZ 2.99Å; D20-K24 IonicContact OD2-NZ 2.9Å; D20-K24 PolarHBondContact OD2-NZ 3.31Å
21	L	85.1	Confident	68.4	Low	16 Å²	16	71.1 Å²	71.1	8%	0.084	37%	0.368	C	S	.	.	H	α-helix	trans	-69.9	-37.1	175.8	-169.8	62.7	0	0	0	112.2	Q17 S18 E19 K24 I25 F44 V46 L50 V51 A54	Q17-L21 WeakPolarHBondContact O-CB 3.32Å; Q17-L21 PolarHBondContact O-N 2.91Å; S18-L21 PolarHBondContact O-N 3.48Å; E19-L21 VanDerWaalsContact C-N 3.3Å; E19-L21 PolarHBondContact O-N 3.36Å; L21-K24 PolarHBondContact O-N 2.62Å; L21-I25 HydrophobicContact CG-CD1 4.21Å; L21-I25 VanDerWaalsContact O-CG1 3.24Å; L21-I25 WeakPolarHBondContact O-CG1 3.24Å; L21-I25 PolarHBondContact O-N 3.48Å; L21-F44 HydrophobicContact CD1-CD2 3.78Å; L21-F44 HydrophobicContact CD1-CE2 4.45Å; L21-V46 HydrophobicContact CD1-CG2 4.19Å; L21-V46 HydrophobicContact CD2-CG2 4.48Å; L21-L50 HydrophobicContact CD2-CB 4.08Å; L21-V51 HydrophobicContact CD2-CG2 4.39Å; L21-A54 HydrophobicContact CB-CB 4.23Å; L21-A54 HydrophobicContact CD2-CB 3.95Å; L21-A54 HydrophobicContact CG-CB 4.04Å
22	G	85.4	Confident	70.9	Confident	3 Å²	3	71.3 Å²	71.3	3%	0.031	36%	0.364	C	S	.	.	H	α-helix	trans	-60.2	-49.6	176.3	0	0	0	0	0	112.3	S18 E19 K24 I25 L26	S18-G22 PolarHBondContact O-N 3.05Å; E19-G22 PolarHBondContact O-N 2.91Å; G22-K24 PolarHBondContact O-N 3.29Å; G22-I25 PolarHBondContact O-N 2.82Å; G22-L26 WeakPolarHBondContact O-CG 3.45Å; G22-L26 PolarHBondContact O-N 2.94Å
23	E	85	Confident	73.2	Confident	87 Å²	87	70.6 Å²	70.6	41%	0.407	36%	0.356	S	S	.	.	H	α-helix	trans	-62.6	-41	176.4	-68.9	-172.4	168.2	0	0	112.2	E19 I25 L26 L27 L199	E19-E23 PolarHBondContact O-N 2.73Å; E19-E23 VanDerWaalsContact O-N 3.12Å; E23-I25 VanDerWaalsContact C-N 3.33Å; E23-I25 PolarHBondContact O-N 3.39Å; E23-L26 PolarHBondContact O-N 3.27Å; E23-L27 WeakPolarHBondContact O-CG 3.4Å; E23-L27 PolarHBondContact O-N 2.59Å; E23-L199 HydrophobicContact CG-CD1 4.23Å
24	K	87.6	Confident	75.5	Confident	90 Å²	90	70.4 Å²	70.4	39%	0.391	36%	0.357	S	S	.	.	H	α-helix	trans	-60.2	-40.9	174	-75.6	169.5	179.5	163.7	0	112.5	D20 L21 G22 L27 A28 F44	D20-K24 VanDerWaalsContact CG-NZ 3.34Å; D20-K24 WeakPolarHBondContact O-CB 3.44Å; D20-K24 WeakPolarHBondContact O-CD 3.33Å; D20-K24 VanDerWaalsContact O-CG 3.27Å; D20-K24 WeakPolarHBondContact O-CG 3.25Å; D20-K24 PolarHBondContact O-N 3Å; D20-K24 VanDerWaalsContact O-N 3.15Å; D20-K24 VanDerWaalsContact OD1-CE 3.23Å; D20-K24 WeakPolarHBondContact OD1-CE 3.31Å; D20-K24 IonicContact OD1-NZ 3.07Å; D20-K24 PolarHBondContact OD1-NZ 2.99Å; D20-K24 IonicContact OD2-NZ 2.9Å; D20-K24 PolarHBondContact OD2-NZ 3.31Å; L21-K24 PolarHBondContact O-N 2.62Å; G22-K24 PolarHBondContact O-N 3.29Å; K24-L27 PolarHBondContact O-N 3.47Å; K24-A28 WeakPolarHBondContact O-CB 3.47Å; K24-A28 PolarHBondContact O-N 2.92Å; K24-F44 HydrophobicContact CB-CD2 4.48Å; K24-F44 HydrophobicContact CB-CE2 3.81Å; K24-F44 HydrophobicContact CB-CZ 3.95Å; K24-F44 WeakPolarHBondContact O-CZ 3.44Å
25	I	89.2	Confident	78	Confident	0 Å²	0	63.8 Å²	63.8	0%	0	33%	0.327	C	S	.	.	H	α-helix	trans	-62.8	-45.3	174.9	-69.6	166.8	0	0	0	110.3	L21 G22 E23 A28 L29 I40 F44 V51 A54 L58 L189	L21-I25 HydrophobicContact CG-CD1 4.21Å; L21-I25 VanDerWaalsContact O-CG1 3.24Å; L21-I25 WeakPolarHBondContact O-CG1 3.24Å; L21-I25 PolarHBondContact O-N 3.48Å; G22-I25 PolarHBondContact O-N 2.82Å; E23-I25 VanDerWaalsContact C-N 3.33Å; E23-I25 PolarHBondContact O-N 3.39Å; I25-A28 PolarHBondContact O-N 3.24Å; I25-L29 WeakPolarHBondContact O-CB 3.35Å; I25-L29 PolarHBondContact O-N 3.27Å; I25-I40 HydrophobicContact CG1-CG2 4.11Å; I25-F44 HydrophobicContact CG1-CE2 4.11Å; I25-V51 HydrophobicContact CD1-CG1 4.03Å; I25-A54 HydrophobicContact CD1-CB 3.77Å; I25-L58 HydrophobicContact CB-CD1 4.09Å; I25-L58 HydrophobicContact CG2-CD1 3.86Å; I25-L189 HydrophobicContact CG2-CD1 3.84Å
26	L	88.9	Confident	80.4	Confident	0 Å²	0	60.4 Å²	60.4	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-62	-45.7	177.9	-65.6	169.5	0	0	0	111.4	G22 E23 A28 L29 D30 L58 L64 I65 F195 S196 L199	G22-L26 WeakPolarHBondContact O-CG 3.45Å; G22-L26 PolarHBondContact O-N 2.94Å; E23-L26 PolarHBondContact O-N 3.27Å; L26-A28 VanDerWaalsContact C-N 3.33Å; L26-A28 PolarHBondContact O-N 2.87Å; L26-L29 PolarHBondContact O-N 2.95Å; L26-D30 PolarHBondContact O-N 3.47Å; L26-L58 HydrophobicContact CD1-CD2 3.81Å; L26-L58 HydrophobicContact CD2-CD1 4.05Å; L26-L58 HydrophobicContact CD2-CD2 4.22Å; L26-L58 HydrophobicContact CG-CD1 4.05Å; L26-L58 HydrophobicContact CG-CD2 4Å; L26-L64 HydrophobicContact CD1-CD2 4.04Å; L26-L64 HydrophobicContact CD2-CD2 3.82Å; L26-L64 HydrophobicContact CD2-CG 3.99Å; L26-I65 HydrophobicContact CD2-CG2 3.89Å; L26-F195 HydrophobicContact CD2-CD2 4.33Å; L26-F195 HydrophobicContact CD2-CE2 3.86Å; L26-F195 WeakPolarHBondContact O-CZ 3.46Å; L26-S196 WeakPolarHBondContact CD1-O 3.31Å; L26-L199 HydrophobicContact CD1-CD1 4.22Å; L26-L199 HydrophobicContact CD1-CG 4.07Å
27	L	88.6	Confident	82.5	Confident	86 Å²	86	56.3 Å²	56.3	45%	0.45	28%	0.284	S	S	.	.	H	α-helix	trans	-61.7	-38.6	175.7	-72.7	170.3	0	0	0	112.6	E23 K24 N31 T197	E23-L27 WeakPolarHBondContact O-CG 3.4Å; E23-L27 PolarHBondContact O-N 2.59Å; K24-L27 PolarHBondContact O-N 3.47Å; L27-N31 PolarHBondContact O-N 3.36Å; L27-N31 PolarHBondContact O-ND2 3.19Å; L27-T197 HydrophobicContact CD2-CG2 4.14Å
28	A	88.7	Confident	84.3	Confident	10 Å²	10	53.1 Å²	53.1	8%	0.083	27%	0.269	C	S	.	.	H	α-helix	trans	-65.9	-41.5	174.6	0	0	0	0	0	111.6	K24 I25 L26 D30 N31 R32 L35 F44	K24-A28 WeakPolarHBondContact O-CB 3.47Å; K24-A28 PolarHBondContact O-N 2.92Å; I25-A28 PolarHBondContact O-N 3.24Å; L26-A28 VanDerWaalsContact C-N 3.33Å; L26-A28 PolarHBondContact O-N 2.87Å; A28-D30 VanDerWaalsContact C-N 3.32Å; A28-D30 PolarHBondContact O-N 3.18Å; A28-N31 PolarHBondContact O-N 2.97Å; A28-R32 PolarHBondContact O-N 3.37Å; A28-L35 HydrophobicContact CB-CD1 3.76Å; A28-F44 HydrophobicContact CB-CZ 3.9Å
29	L	89.4	Confident	86	Confident	0 Å²	0	56 Å²	56	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-68.7	-29.7	179.6	-160.9	69.6	0	0	0	112.8	I25 L26 N31 R32 E33 L35 I65 L189 R191 F195	I25-L29 WeakPolarHBondContact O-CB 3.35Å; I25-L29 PolarHBondContact O-N 3.27Å; L26-L29 PolarHBondContact O-N 2.95Å; L29-N31 VanDerWaalsContact C-N 3.31Å; L29-R32 WeakPolarHBondContact CA-O 3.01Å; L29-E33 HydrophobicContact CD1-CB 4.48Å; L29-L35 HydrophobicContact CB-CD1 4.35Å; L29-L35 HydrophobicContact CD1-CB 4.29Å; L29-L35 HydrophobicContact CD1-CD1 4.05Å; L29-L35 HydrophobicContact CD1-CG 4.27Å; L29-I65 HydrophobicContact CD2-CG2 3.77Å; L29-L189 HydrophobicContact CD1-CB 3.87Å; L29-L189 WeakPolarHBondContact CD1-O 3.23Å; L29-R191 HydrophobicContact CD2-CG 4.11Å; L29-R191 HydrophobicContact CG-CG 3.97Å; L29-F195 HydrophobicContact CB-CE2 4.04Å; L29-F195 HydrophobicContact CB-CZ 4.2Å; L29-F195 HydrophobicContact CD2-CD2 4.24Å; L29-F195 HydrophobicContact CD2-CE2 3.76Å; L29-F195 HydrophobicContact CG-CE2 4.2Å
30	D	88.4	Confident	87.4	Confident	76 Å²	76	51.8 Å²	51.8	41%	0.406	26%	0.262	S	S	.	.	H	α-helix	trans	-64.6	-38.1	173.3	-169	41.2	0	0	0	111.5	L26 A28 F195 T197	L26-D30 PolarHBondContact O-N 3.47Å; A28-D30 VanDerWaalsContact C-N 3.32Å; A28-D30 PolarHBondContact O-N 3.18Å; D30-F195 HydrophobicContact CB-CE1 3.85Å; D30-F195 HydrophobicContact CB-CZ 3.86Å; D30-T197 HydrophobicContact CB-CG2 3.85Å
31	N	86.3	Confident	88.1	Confident	126 Å²	126	48.2 Å²	48.2	67%	0.674	24%	0.244	S	C	*	.	H	α-helix	trans	-83.1	-30.7	-179.5	-71.8	-63.8	0	0	0	113.5	L27 A28 L29	L27-N31 PolarHBondContact O-N 3.36Å; L27-N31 PolarHBondContact O-ND2 3.19Å; A28-N31 PolarHBondContact O-N 2.97Å; L29-N31 VanDerWaalsContact C-N 3.31Å
32	R	84.8	Confident	88.3	Confident	124 Å²	124	51.3 Å²	51.3	47%	0.468	27%	0.267	S	S	.	.	S	Bend	trans	-147.2	130.2	-172.8	-71.3	178.3	-77.6	168.4	-0.1	111.2	A28 L29 L35 E43	A28-R32 PolarHBondContact O-N 3.37Å; L29-R32 WeakPolarHBondContact CA-O 3.01Å; R32-L35 HydrophobicContact CB-CD2 4.03Å; R32-L35 HydrophobicContact CB-CG 4.43Å; R32-L35 WeakPolarHBondContact O-CG 3.42Å; R32-E43 IonicContact CZ-OE1 3.14Å; R32-E43 IonicContact CZ-OE2 3.45Å; R32-E43 IonicContact NH1-OE2 3.2Å; R32-E43 PolarHBondContact NH1-OE2 3.38Å; R32-E43 IonicContact NH2-OE1 3.81Å; R32-E43 PolarHBondContact NH2-OE1 3.26Å; R32-E43 IonicContact NH2-OE2 2.88Å; R32-E43 PolarHBondContact NH2-OE2 3.08Å
33	E	83	Confident	88.5	Confident	95 Å²	95	55.2 Å²	55.2	44%	0.444	29%	0.285	S	S	.	.	S	Bend	trans	-139.2	146.4	167.9	73.1	-178.4	173	0	0	111.3	L29 R191	L29-E33 HydrophobicContact CD1-CB 4.48Å; E33-R191 VanDerWaalsContact CD-NE 3.27Å; E33-R191 VanDerWaalsContact CD-NH2 3.28Å; E33-R191 IonicContact OE1-CZ 2.78Å; E33-R191 IonicContact OE1-NE 3.85Å; E33-R191 PolarHBondContact OE1-NE 2.99Å; E33-R191 IonicContact OE1-NH2 3.74Å; E33-R191 PolarHBondContact OE1-NH2 2.85Å; E33-R191 WeakPolarHBondContact OE2-CG 3.39Å; E33-R191 IonicContact OE2-CZ 2.78Å; E33-R191 PolarHBondContact OE2-N 2.93Å; E33-R191 IonicContact OE2-NE 3.16Å; E33-R191 PolarHBondContact OE2-NE 3.17Å; E33-R191 IonicContact OE2-NH2 3.42Å
34	P	85.9	Confident	88.7	Confident	83 Å²	83	53.6 Å²	53.6	54%	0.539	28%	0.276	S	S	.	.	S	Bend	cis	-80.5	154.8	-6.9	34.7	-35.2	0	0	0	112.6	L188 L189	P34-L188 HydrophobicContact CB-CD1 3.67Å; P34-L188 HydrophobicContact CB-CD2 3.85Å; P34-L188 HydrophobicContact CB-CG 3.64Å; P34-L188 HydrophobicContact CG-CD1 4Å; P34-L188 HydrophobicContact CG-CD2 4.09Å; P34-L188 HydrophobicContact CG-CG 4.26Å; P34-L189 VanDerWaalsContact CA-O 3.3Å; P34-L189 WeakPolarHBondContact CA-O 3.3Å
35	L	90.3	Very high	88.8	Confident	15 Å²	15	57.4 Å²	57.4	8%	0.079	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	132.9	175.9	-71.2	172.2	0	0	0	111.5	A28 L29 R32 I40 L189	A28-L35 HydrophobicContact CB-CD1 3.76Å; L29-L35 HydrophobicContact CB-CD1 4.35Å; L29-L35 HydrophobicContact CD1-CB 4.29Å; L29-L35 HydrophobicContact CD1-CD1 4.05Å; L29-L35 HydrophobicContact CD1-CG 4.27Å; R32-L35 HydrophobicContact CB-CD2 4.03Å; R32-L35 HydrophobicContact CB-CG 4.43Å; R32-L35 WeakPolarHBondContact O-CG 3.42Å; L35-I40 HydrophobicContact CB-CD1 3.88Å; L35-I40 HydrophobicContact CB-CG1 4.15Å; L35-I40 HydrophobicContact CD1-CD1 4.36Å; L35-I40 HydrophobicContact CD1-CG1 4.48Å; L35-L189 PolarHBondContact N-O 3.18Å; L35-L189 PolarHBondContact O-N 3.39Å
36	N	91.8	Very high	88.8	Confident	28 Å²	28	59.3 Å²	59.3	15%	0.15	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	133.9	172.5	-168.3	-63.1	0	0	0	110.5	M38 D39 I40 T186 F187	N36-M38 PolarHBondContact O-N 3.24Å; N36-M38 WeakPolarHBondContact OD1-CB 3.2Å; N36-M38 PolarHBondContact OD1-N 2.75Å; N36-D39 HydrophobicContact CB-CB 4.47Å; N36-D39 WeakPolarHBondContact CB-OD2 3.45Å; N36-D39 PolarHBondContact O-N 3.39Å; N36-I40 WeakPolarHBondContact O-CG1 3.41Å; N36-I40 PolarHBondContact O-N 2.93Å; N36-T186 PolarHBondContact ND2-OG1 3.38Å; N36-T186 WeakPolarHBondContact OD1-CB 3.36Å; N36-F187 WeakPolarHBondContact CA-O 3.14Å
37	T	91.9	Very high	88.9	Confident	0 Å²	0	63.3 Å²	63.3	0%	0	33%	0.333	C	S	.	.	H	α-helix	trans	-51.7	-29.7	175.4	49.8	0	0	0	0	114.9	A41 H48 V51 M55 F187 L189	T37-A41 WeakPolarHBondContact O-CB 3.37Å; T37-A41 PolarHBondContact O-N 3.45Å; T37-H48 WeakPolarHBondContact CB-NE2 3.3Å; T37-H48 PolarHBondContact O-CD2 2.81Å; T37-H48 PolarHBondContact OG1-NE2 3Å; T37-V51 HydrophobicContact CG2-CG1 4.2Å; T37-M55 HydrophobicContact CG2-SD 4.09Å; T37-F187 HydrophobicContact CG2-CB 3.76Å; T37-F187 HydrophobicContact CG2-CD2 4.39Å; T37-F187 WeakPolarHBondContact CG2-O 3.32Å; T37-F187 PolarHBondContact N-O 3.38Å; T37-F187 PolarHBondContact OG1-N 3.45Å; T37-F187 PolarHBondContact OG1-O 3.13Å; T37-L189 HydrophobicContact CG2-CD1 4.35Å; T37-L189 HydrophobicContact CG2-CG 4.4Å
38	M	89	Confident	88.9	Confident	64 Å²	64	61.6 Å²	61.6	32%	0.315	32%	0.322	S	S	.	.	H	α-helix	trans	-71.8	-40.2	174.8	-79.5	-65.1	-60.3	0	0	112.4	N36 I40 A41 S42 H48 T186	N36-M38 PolarHBondContact O-N 3.24Å; N36-M38 WeakPolarHBondContact OD1-CB 3.2Å; N36-M38 PolarHBondContact OD1-N 2.75Å; M38-I40 VanDerWaalsContact C-N 3.3Å; M38-A41 WeakPolarHBondContact O-CB 3.43Å; M38-A41 PolarHBondContact O-N 2.88Å; M38-S42 PolarHBondContact O-N 3Å; M38-S42 PolarHBondContact O-OG 3.3Å; M38-H48 HydrophobicContact SD-CB 3.83Å; M38-H48 VanDerWaalsContact SD-CD2 3.53Å; M38-T186 HydrophobicContact CB-CG2 4.33Å; M38-T186 HydrophobicContact CG-CG2 3.35Å
39	D	89.8	Confident	88.9	Confident	98 Å²	98	69.1 Å²	69.1	52%	0.524	36%	0.356	S	S	.	.	H	α-helix	trans	-66.2	-39.2	177.5	-59.7	-30.6	0	0	0	110.1	N36 S42 E43	N36-D39 HydrophobicContact CB-CB 4.47Å; N36-D39 WeakPolarHBondContact CB-OD2 3.45Å; N36-D39 PolarHBondContact O-N 3.39Å; D39-S42 PolarHBondContact O-N 3.28Å; D39-E43 VanDerWaalsContact O-CB 3.3Å; D39-E43 WeakPolarHBondContact O-CB 3.06Å; D39-E43 PolarHBondContact O-N 3.13Å
40	I	89.6	Confident	88.9	Confident	3 Å²	3	73.2 Å²	73.2	2%	0.015	38%	0.377	C	S	.	.	H	α-helix	trans	-63.1	-45.2	173.8	-61.5	172.5	0	0	0	111	I25 L35 N36 M38 S42 E43 F44 V51 L189	I25-I40 HydrophobicContact CG1-CG2 4.11Å; L35-I40 HydrophobicContact CB-CD1 3.88Å; L35-I40 HydrophobicContact CB-CG1 4.15Å; L35-I40 HydrophobicContact CD1-CD1 4.36Å; L35-I40 HydrophobicContact CD1-CG1 4.48Å; N36-I40 WeakPolarHBondContact O-CG1 3.41Å; N36-I40 PolarHBondContact O-N 2.93Å; M38-I40 VanDerWaalsContact C-N 3.3Å; I40-S42 VanDerWaalsContact C-N 3.28Å; I40-S42 PolarHBondContact O-N 2.86Å; I40-E43 PolarHBondContact O-N 3.34Å; I40-F44 HydrophobicContact CG2-CD2 3.43Å; I40-F44 VanDerWaalsContact CG2-CD2 3.43Å; I40-F44 HydrophobicContact CG2-CE2 3.47Å; I40-F44 VanDerWaalsContact CG2-CE2 3.47Å; I40-F44 HydrophobicContact CG2-CG 4.28Å; I40-F44 HydrophobicContact CG2-CZ 4.34Å; I40-F44 WeakPolarHBondContact O-CB 3.42Å; I40-F44 PolarHBondContact O-N 2.85Å; I40-V51 HydrophobicContact CB-CG1 4.07Å; I40-V51 HydrophobicContact CG2-CG1 3.73Å; I40-V51 HydrophobicContact CG2-CG2 4.26Å; I40-L189 HydrophobicContact CD1-CD1 3.55Å
41	A	90.7	Very high	89	Confident	8 Å²	8	69.6 Å²	69.6	7%	0.066	36%	0.358	C	S	.	.	H	α-helix	trans	-59.8	-41	177.1	0	0	0	0	0	111.6	T37 M38 H45 V46 H48 V51	T37-A41 WeakPolarHBondContact O-CB 3.37Å; T37-A41 PolarHBondContact O-N 3.45Å; M38-A41 WeakPolarHBondContact O-CB 3.43Å; M38-A41 PolarHBondContact O-N 2.88Å; A41-H45 WeakPolarHBondContact O-CA 3.4Å; A41-H45 PolarHBondContact O-N 3.23Å; A41-H45 VanDerWaalsContact O-N 3.08Å; A41-V46 WeakPolarHBondContact CB-O 3.24Å; A41-V46 PolarHBondContact O-N 3.36Å; A41-H48 HydrophobicContact CB-CB 4.09Å; A41-V51 HydrophobicContact CB-CG2 3.9Å
42	S	89.8	Confident	89.2	Confident	81 Å²	81	64.7 Å²	64.7	57%	0.566	33%	0.333	S	S	*	.	H	α-helix	trans	-68.4	-44.3	174.3	-68.4	0	0	0	0	112.9	M38 D39 I40 H45	M38-S42 PolarHBondContact O-N 3Å; M38-S42 PolarHBondContact O-OG 3.3Å; D39-S42 PolarHBondContact O-N 3.28Å; I40-S42 VanDerWaalsContact C-N 3.28Å; I40-S42 PolarHBondContact O-N 2.86Å; S42-H45 PolarHBondContact O-N 3.34Å
43	E	89.6	Confident	89.3	Confident	86 Å²	86	60.8 Å²	60.8	40%	0.402	33%	0.33	S	S	.	.	H	α-helix	trans	-65.5	-44.4	-179	-175	173.1	149.6	0	0	111.7	R32 D39 I40 H45	R32-E43 IonicContact CZ-OE1 3.14Å; R32-E43 IonicContact CZ-OE2 3.45Å; R32-E43 IonicContact NH1-OE2 3.2Å; R32-E43 PolarHBondContact NH1-OE2 3.38Å; R32-E43 IonicContact NH2-OE1 3.81Å; R32-E43 PolarHBondContact NH2-OE1 3.26Å; R32-E43 IonicContact NH2-OE2 2.88Å; R32-E43 PolarHBondContact NH2-OE2 3.08Å; D39-E43 VanDerWaalsContact O-CB 3.3Å; D39-E43 WeakPolarHBondContact O-CB 3.06Å; D39-E43 PolarHBondContact O-N 3.13Å; I40-E43 PolarHBondContact O-N 3.34Å; E43-H45 VanDerWaalsContact C-N 3.3Å; E43-H45 PolarHBondContact O-CE1 3.11Å; E43-H45 PolarHBondContact O-N 3.17Å; E43-H45 PolarHBondContact O-ND1 2.88Å
44	F	89.9	Confident	89.6	Confident	52 Å²	52	56.4 Å²	56.4	23%	0.228	31%	0.31	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.8	-1.2	-179.9	-62.9	-16.1	0	0	0	113.7	L21 K24 I25 A28 I40 V46	L21-F44 HydrophobicContact CD1-CD2 3.78Å; L21-F44 HydrophobicContact CD1-CE2 4.45Å; K24-F44 HydrophobicContact CB-CD2 4.48Å; K24-F44 HydrophobicContact CB-CE2 3.81Å; K24-F44 HydrophobicContact CB-CZ 3.95Å; K24-F44 WeakPolarHBondContact O-CZ 3.44Å; I25-F44 HydrophobicContact CG1-CE2 4.11Å; A28-F44 HydrophobicContact CB-CZ 3.9Å; I40-F44 HydrophobicContact CG2-CD2 3.43Å; I40-F44 VanDerWaalsContact CG2-CD2 3.43Å; I40-F44 HydrophobicContact CG2-CE2 3.47Å; I40-F44 VanDerWaalsContact CG2-CE2 3.47Å; I40-F44 HydrophobicContact CG2-CG 4.28Å; I40-F44 HydrophobicContact CG2-CZ 4.34Å; I40-F44 WeakPolarHBondContact O-CB 3.42Å; I40-F44 PolarHBondContact O-N 2.85Å; F44-V46 VanDerWaalsContact C-N 3.26Å; F44-V46 HydrophobicContact CB-CG2 3.93Å; F44-V46 PolarHBondContact O-N 3.28Å
45	H	89.1	Confident	89.7	Confident	170 Å²	170	52.5 Å²	52.5	79%	0.787	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.5	39.3	179.5	-57.6	71.2	0	0	0	113	A41 S42 E43	A41-H45 WeakPolarHBondContact O-CA 3.4Å; A41-H45 PolarHBondContact O-N 3.23Å; A41-H45 VanDerWaalsContact O-N 3.08Å; S42-H45 PolarHBondContact O-N 3.34Å; E43-H45 VanDerWaalsContact C-N 3.3Å; E43-H45 PolarHBondContact O-CE1 3.11Å; E43-H45 PolarHBondContact O-N 3.17Å; E43-H45 PolarHBondContact O-ND1 2.88Å
46	V	89.7	Confident	89.6	Confident	40 Å²	40	57.7 Å²	57.7	24%	0.242	31%	0.307	C	S	.	.			trans	-120.5	151.3	-180	-69.2	0	0	0	0	111.3	L21 A41 F44 H48 V51	L21-V46 HydrophobicContact CD1-CG2 4.19Å; L21-V46 HydrophobicContact CD2-CG2 4.48Å; A41-V46 WeakPolarHBondContact CB-O 3.24Å; A41-V46 PolarHBondContact O-N 3.36Å; F44-V46 VanDerWaalsContact C-N 3.26Å; F44-V46 HydrophobicContact CB-CG2 3.93Å; F44-V46 PolarHBondContact O-N 3.28Å; V46-H48 PolarHBondContact O-N 2.96Å; V46-V51 HydrophobicContact CG2-CG2 3.51Å
47	P	89.8	Confident	89.2	Confident	85 Å²	85	58.8 Å²	58.8	55%	0.552	32%	0.317	S	S	*	.			trans	-54.5	134.7	172.5	-25.5	33.2	0	0	0	112.2	Q49 L50	P47-Q49 PolarHBondContact O-N 2.8Å; P47-L50 HydrophobicContact CB-CG 4.5Å; P47-L50 HydrophobicContact CG-CD1 4.36Å; P47-L50 PolarHBondContact O-N 2.6Å
48	H	89.7	Confident	88.9	Confident	50 Å²	50	58.9 Å²	58.9	23%	0.231	32%	0.318	C	S	.	.	H	α-helix	trans	-52.3	-33.5	179.7	178.2	-117.1	0	0	0	113.2	T37 M38 A41 V46 L50 V51 V52 T185	T37-H48 WeakPolarHBondContact CB-NE2 3.3Å; T37-H48 PolarHBondContact O-CD2 2.81Å; T37-H48 PolarHBondContact OG1-NE2 3Å; M38-H48 HydrophobicContact SD-CB 3.83Å; M38-H48 VanDerWaalsContact SD-CD2 3.53Å; A41-H48 HydrophobicContact CB-CB 4.09Å; V46-H48 PolarHBondContact O-N 2.96Å; H48-L50 VanDerWaalsContact C-N 3.33Å; H48-L50 PolarHBondContact O-N 3.1Å; H48-V51 PolarHBondContact O-N 2.88Å; H48-V52 WeakPolarHBondContact O-CG2 3.25Å; H48-V52 PolarHBondContact O-N 2.97Å; H48-T185 PolarHBondContact CE1-O 3.25Å
49	Q	89.4	Confident	88.7	Confident	167 Å²	167	59.9 Å²	59.9	78%	0.78	32%	0.322	S	S	*	.	H	α-helix	trans	-61.7	-36.2	177.7	-170.8	171.1	-1.5	0	0	113.5	P47 V52 G53	P47-Q49 PolarHBondContact O-N 2.8Å; Q49-V52 PolarHBondContact O-N 3.33Å; Q49-G53 PolarHBondContact O-N 3.48Å
50	L	88.7	Confident	88.2	Confident	87 Å²	87	59.2 Å²	59.2	46%	0.455	33%	0.33	S	S	.	.	H	α-helix	trans	-70.1	-39.8	176.7	-65.9	-178.5	0	0	0	111.2	L21 P47 H48 V52 G53 A54	L21-L50 HydrophobicContact CD2-CB 4.08Å; P47-L50 HydrophobicContact CB-CG 4.5Å; P47-L50 HydrophobicContact CG-CD1 4.36Å; P47-L50 PolarHBondContact O-N 2.6Å; H48-L50 VanDerWaalsContact C-N 3.33Å; H48-L50 PolarHBondContact O-N 3.1Å; L50-V52 VanDerWaalsContact C-N 3.34Å; L50-V52 PolarHBondContact O-N 3.02Å; L50-G53 PolarHBondContact O-N 3.36Å; L50-G53 VanDerWaalsContact O-N 3.17Å; L50-A54 PolarHBondContact O-N 3.22Å
51	V	91.2	Very high	87.6	Confident	0 Å²	0	63.3 Å²	63.3	0%	0	35%	0.348	C	S	.	.	H	α-helix	trans	-62	-43.4	175.2	-177.7	0	0	0	0	110.9	L21 I25 T37 I40 A41 V46 H48 G53 A54 M55	L21-V51 HydrophobicContact CD2-CG2 4.39Å; I25-V51 HydrophobicContact CD1-CG1 4.03Å; T37-V51 HydrophobicContact CG2-CG1 4.2Å; I40-V51 HydrophobicContact CB-CG1 4.07Å; I40-V51 HydrophobicContact CG2-CG1 3.73Å; I40-V51 HydrophobicContact CG2-CG2 4.26Å; A41-V51 HydrophobicContact CB-CG2 3.9Å; V46-V51 HydrophobicContact CG2-CG2 3.51Å; H48-V51 PolarHBondContact O-N 2.88Å; V51-G53 VanDerWaalsContact C-N 3.32Å; V51-G53 PolarHBondContact O-N 3.02Å; V51-A54 PolarHBondContact O-N 3.12Å; V51-M55 VanDerWaalsContact O-CB 3.3Å; V51-M55 WeakPolarHBondContact O-CB 3.27Å; V51-M55 PolarHBondContact O-N 2.8Å
52	V	90.1	Very high	86.8	Confident	23 Å²	23	64.7 Å²	64.7	14%	0.139	36%	0.363	C	S	.	.	H	α-helix	trans	-64.5	-37.4	175.2	174.4	0	0	0	0	111.4	H48 Q49 L50 M55 K56 F187	H48-V52 WeakPolarHBondContact O-CG2 3.25Å; H48-V52 PolarHBondContact O-N 2.97Å; Q49-V52 PolarHBondContact O-N 3.33Å; L50-V52 VanDerWaalsContact C-N 3.34Å; L50-V52 PolarHBondContact O-N 3.02Å; V52-M55 HydrophobicContact CG1-CE 4.32Å; V52-K56 WeakPolarHBondContact O-CG 3.33Å; V52-K56 PolarHBondContact O-N 3Å; V52-F187 HydrophobicContact CG1-CD2 4.42Å; V52-F187 HydrophobicContact CG1-CE2 3.91Å; V52-F187 HydrophobicContact CG2-CD2 4.09Å; V52-F187 HydrophobicContact CG2-CE2 4.15Å
53	G	86.9	Confident	86.3	Confident	41 Å²	41	65.3 Å²	65.3	42%	0.423	36%	0.36	S	S	.	.	H	α-helix	trans	-61.3	-51.6	173.7	0	0	0	0	0	112.4	Q49 L50 V51 M55 K56 S57	Q49-G53 PolarHBondContact O-N 3.48Å; L50-G53 PolarHBondContact O-N 3.36Å; L50-G53 VanDerWaalsContact O-N 3.17Å; V51-G53 VanDerWaalsContact C-N 3.32Å; V51-G53 PolarHBondContact O-N 3.02Å; G53-M55 PolarHBondContact O-N 3.29Å; G53-K56 PolarHBondContact O-N 3.3Å; G53-S57 PolarHBondContact O-N 2.68Å; G53-S57 VanDerWaalsContact O-N 3.09Å
54	A	88.4	Confident	86	Confident	3 Å²	3	61.8 Å²	61.8	3%	0.025	34%	0.344	C	S	.	.	H	α-helix	trans	-61.7	-43.2	177.2	0	0	0	0	0	112	L21 I25 L50 V51 K56 S57 L58	L21-A54 HydrophobicContact CB-CB 4.23Å; L21-A54 HydrophobicContact CD2-CB 3.95Å; L21-A54 HydrophobicContact CG-CB 4.04Å; I25-A54 HydrophobicContact CD1-CB 3.77Å; L50-A54 PolarHBondContact O-N 3.22Å; V51-A54 PolarHBondContact O-N 3.12Å; A54-K56 PolarHBondContact O-N 3.31Å; A54-S57 WeakPolarHBondContact O-CA 3.29Å; A54-S57 VanDerWaalsContact O-CB 3.31Å; A54-S57 WeakPolarHBondContact O-CB 3.43Å; A54-S57 PolarHBondContact O-N 2.85Å; A54-S57 VanDerWaalsContact O-N 3.11Å; A54-L58 WeakPolarHBondContact O-CG 3.37Å; A54-L58 PolarHBondContact O-N 3.04Å
55	M	89.4	Confident	86	Confident	1 Å²	1	59.7 Å²	59.7	1%	0.005	34%	0.335	C	S	.	.	H	α-helix	trans	-55	-48.5	173.4	175.4	-156.1	79.1	0	0	112	T37 V51 V52 G53 S57 L58 E59 I65 T67 F187 L189	T37-M55 HydrophobicContact CG2-SD 4.09Å; V51-M55 VanDerWaalsContact O-CB 3.3Å; V51-M55 WeakPolarHBondContact O-CB 3.27Å; V51-M55 PolarHBondContact O-N 2.8Å; V52-M55 HydrophobicContact CG1-CE 4.32Å; G53-M55 PolarHBondContact O-N 3.29Å; M55-S57 PolarHBondContact O-N 2.92Å; M55-L58 WeakPolarHBondContact O-CB 3.37Å; M55-L58 PolarHBondContact O-N 3.18Å; M55-L58 VanDerWaalsContact O-N 3.14Å; M55-E59 PolarHBondContact O-N 3.38Å; M55-I65 HydrophobicContact CG-CD1 3.94Å; M55-T67 HydrophobicContact CG-CG2 3.9Å; M55-T67 HydrophobicContact SD-CG2 3.9Å; M55-F187 HydrophobicContact CE-CB 4.38Å; M55-F187 HydrophobicContact CE-CD1 3.96Å; M55-F187 HydrophobicContact CE-CD2 3.91Å; M55-F187 HydrophobicContact CE-CE1 4.2Å; M55-F187 HydrophobicContact CE-CE2 4.17Å; M55-F187 HydrophobicContact CE-CG 3.82Å; M55-F187 HydrophobicContact CE-CZ 4.31Å; M55-F187 HydrophobicContact SD-CB 3.46Å; M55-F187 WeakPolarHBondContact SD-CB 3.45Å; M55-F187 HydrophobicContact SD-CD1 4.09Å; M55-F187 HydrophobicContact SD-CD2 3.93Å; M55-F187 HydrophobicContact SD-CG 3.56Å; M55-F187 VanDerWaalsContact SD-CG 3.56Å; M55-L189 HydrophobicContact CG-CD2 3.52Å; M55-L189 HydrophobicContact SD-CD2 3.61Å
56	K	86.7	Confident	86	Confident	124 Å²	124	56.5 Å²	56.5	54%	0.539	32%	0.319	S	S	.	.	H	α-helix	trans	-62.6	-34.1	178.3	-75.5	-177.5	178.1	-175.3	0	112.3	V52 G53 A54 A60	V52-K56 WeakPolarHBondContact O-CG 3.33Å; V52-K56 PolarHBondContact O-N 3Å; G53-K56 PolarHBondContact O-N 3.3Å; A54-K56 PolarHBondContact O-N 3.31Å; K56-A60 PolarHBondContact O-N 3.29Å; K56-A60 VanDerWaalsContact O-N 3.1Å
57	S	84.4	Confident	86.1	Confident	52 Å²	52	56.6 Å²	56.6	36%	0.364	32%	0.32	S	S	.	.	H	α-helix	trans	-63.5	-46.4	172.6	-168.6	0	0	0	0	111	G53 A54 M55 E59 A60 H61	G53-S57 PolarHBondContact O-N 2.68Å; G53-S57 VanDerWaalsContact O-N 3.09Å; A54-S57 WeakPolarHBondContact O-CA 3.29Å; A54-S57 VanDerWaalsContact O-CB 3.31Å; A54-S57 WeakPolarHBondContact O-CB 3.43Å; A54-S57 PolarHBondContact O-N 2.85Å; A54-S57 VanDerWaalsContact O-N 3.11Å; M55-S57 PolarHBondContact O-N 2.92Å; S57-E59 PolarHBondContact O-N 2.95Å; S57-A60 WeakPolarHBondContact O-CB 3.45Å; S57-A60 PolarHBondContact O-N 2.9Å; S57-A60 VanDerWaalsContact O-N 3.11Å; S57-H61 PolarHBondContact O-N 2.97Å; S57-H61 PolarHBondContact O-ND1 2.95Å
58	L	86.1	Confident	86.1	Confident	2 Å²	2	58.3 Å²	58.3	1%	0.01	32%	0.321	C	S	.	.	H	α-helix	trans	-62.6	-40.1	176.3	-65.5	176.7	0	0	0	112.7	I25 L26 A54 M55 A60 H61 L64 I65 L199	I25-L58 HydrophobicContact CB-CD1 4.09Å; I25-L58 HydrophobicContact CG2-CD1 3.86Å; L26-L58 HydrophobicContact CD1-CD2 3.81Å; L26-L58 HydrophobicContact CD2-CD1 4.05Å; L26-L58 HydrophobicContact CD2-CD2 4.22Å; L26-L58 HydrophobicContact CG-CD1 4.05Å; L26-L58 HydrophobicContact CG-CD2 4Å; A54-L58 WeakPolarHBondContact O-CG 3.37Å; A54-L58 PolarHBondContact O-N 3.04Å; M55-L58 WeakPolarHBondContact O-CB 3.37Å; M55-L58 PolarHBondContact O-N 3.18Å; M55-L58 VanDerWaalsContact O-N 3.14Å; L58-A60 PolarHBondContact O-N 3.31Å; L58-H61 WeakPolarHBondContact O-CB 3.46Å; L58-H61 PolarHBondContact O-N 3.29Å; L58-H61 VanDerWaalsContact O-N 3.13Å; L58-L64 HydrophobicContact CB-CD2 4.47Å; L58-L64 HydrophobicContact CD2-CD2 3.93Å; L58-I65 HydrophobicContact CB-CD1 3.6Å; L58-I65 HydrophobicContact CB-CG1 4.04Å; L58-I65 HydrophobicContact CD1-CD1 4.33Å; L58-L199 HydrophobicContact CD2-CD1 3.89Å; L58-L199 HydrophobicContact CD2-CD2 3.98Å; L58-L199 HydrophobicContact CD2-CG 4.32Å
59	E	84.2	Confident	86.3	Confident	85 Å²	85	61.6 Å²	61.6	40%	0.397	34%	0.336	S	S	.	.	H	α-helix	trans	-63.9	-29.2	174.8	-173.6	173.5	-130.5	0	0	112.2	M55 S57 H61 G62 T67	M55-E59 PolarHBondContact O-N 3.38Å; S57-E59 PolarHBondContact O-N 2.95Å; E59-H61 VanDerWaalsContact C-N 3.26Å; E59-H61 PolarHBondContact O-N 3.47Å; E59-G62 PolarHBondContact O-N 2.84Å; E59-T67 PolarHBondContact OE1-OG1 3.39Å
60	A	79.5	Confident	86.3	Confident	84 Å²	84	55.9 Å²	55.9	69%	0.694	31%	0.313	S	S	*	.	H	α-helix	trans	-72.6	-17.1	175.2	0	0	0	0	0	113.6	K56 S57 L58 G62	K56-A60 PolarHBondContact O-N 3.29Å; K56-A60 VanDerWaalsContact O-N 3.1Å; S57-A60 WeakPolarHBondContact O-CB 3.45Å; S57-A60 PolarHBondContact O-N 2.9Å; S57-A60 VanDerWaalsContact O-N 3.11Å; L58-A60 PolarHBondContact O-N 3.31Å; A60-G62 PolarHBondContact O-N 2.92Å
61	H	76.4	Confident	86.2	Confident	88 Å²	88	54.8 Å²	54.8	41%	0.407	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.3	17.7	176.1	-69.2	80.3	0	0	0	113.1	S57 L58 E59 L64 L199	S57-H61 PolarHBondContact O-N 2.97Å; S57-H61 PolarHBondContact O-ND1 2.95Å; L58-H61 WeakPolarHBondContact O-CB 3.46Å; L58-H61 PolarHBondContact O-N 3.29Å; L58-H61 VanDerWaalsContact O-N 3.13Å; E59-H61 VanDerWaalsContact C-N 3.26Å; E59-H61 PolarHBondContact O-N 3.47Å; H61-L64 HydrophobicContact CB-CD2 4.37Å; H61-L199 HydrophobicContact CB-CD2 4.4Å
62	G	74.1	Confident	85.8	Confident	37 Å²	37	59.1 Å²	59.1	38%	0.381	33%	0.332	S	S	.	.	S	Bend	trans	94.4	-140.1	177.6	0	0	0	0	0	111.9	E59 A60 L64	E59-G62 PolarHBondContact O-N 2.84Å; A60-G62 PolarHBondContact O-N 2.92Å; G62-L64 PolarHBondContact O-N 2.9Å; G62-L64 VanDerWaalsContact O-N 3.13Å
63	N	79.1	Confident	85.4	Confident	94 Å²	94	64.6 Å²	64.6	50%	0.503	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.2	39.1	-176.9	-70.6	-13	0	0	0	112.2	G192 E193 E194	N63-G192 CarbonylContact O-C 3.57Å; N63-G192 WeakPolarHBondContact O-CA 3.46Å; N63-E193 PolarHBondContact O-N 2.73Å; N63-E193 VanDerWaalsContact O-N 3.08Å; N63-E194 HydrophobicContact CB-CG 4.43Å; N63-E194 PolarHBondContact O-N 3.46Å; N63-E194 VanDerWaalsContact O-N 3.08Å
64	L	84.2	Confident	85.2	Confident	13 Å²	13	66.1 Å²	66.1	7%	0.068	35%	0.35	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.7	-43.1	179.9	-171.3	70.9	0	0	0	111.2	L26 L58 H61 G62 G192 E194 F195 L199	L26-L64 HydrophobicContact CD1-CD2 4.04Å; L26-L64 HydrophobicContact CD2-CD2 3.82Å; L26-L64 HydrophobicContact CD2-CG 3.99Å; L58-L64 HydrophobicContact CB-CD2 4.47Å; L58-L64 HydrophobicContact CD2-CD2 3.93Å; H61-L64 HydrophobicContact CB-CD2 4.37Å; G62-L64 PolarHBondContact O-N 2.9Å; G62-L64 VanDerWaalsContact O-N 3.13Å; L64-G192 WeakPolarHBondContact O-CA 3.4Å; L64-G192 PolarHBondContact O-N 3.38Å; L64-G192 VanDerWaalsContact O-N 3.08Å; L64-E194 VanDerWaalsContact CD1-O 3.32Å; L64-E194 WeakPolarHBondContact CD1-O 3.35Å; L64-F195 WeakPolarHBondContact O-CD2 3.29Å; L64-L199 HydrophobicContact CD2-CD2 3.96Å
65	I	89.3	Confident	85	Confident	7 Å²	7	68.2 Å²	68.2	4%	0.036	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	153.1	177.1	60	166.1	0	0	0	110.3	L26 L29 M55 L58 T67 L189	L26-I65 HydrophobicContact CD2-CG2 3.89Å; L29-I65 HydrophobicContact CD2-CG2 3.77Å; M55-I65 HydrophobicContact CG-CD1 3.94Å; L58-I65 HydrophobicContact CB-CD1 3.6Å; L58-I65 HydrophobicContact CB-CG1 4.04Å; L58-I65 HydrophobicContact CD1-CD1 4.33Å; I65-T67 HydrophobicContact CD1-CG2 3.91Å; I65-T67 HydrophobicContact CG1-CG2 4.31Å; I65-L189 HydrophobicContact CD1-CD2 4.32Å
66	K	89	Confident	84.9	Confident	103 Å²	103	71.2 Å²	71.2	45%	0.448	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	126.9	169.6	-76.4	174.8	-177.1	176.8	0	108.7	S190 E193	K66-S190 VanDerWaalsContact CB-OG 3.28Å; K66-S190 WeakPolarHBondContact CB-OG 3.42Å; K66-S190 PolarHBondContact N-O 3.46Å; K66-S190 PolarHBondContact O-N 3.15Å; K66-S190 PolarHBondContact O-OG 3.28Å; K66-E193 IonicContact NZ-OE1 3.48Å
67	T	91	Very high	85	Confident	42 Å²	42	66.1 Å²	66.1	26%	0.258	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	134.1	-178.8	75	0	0	0	0	110.4	M55 E59 I65 L188 L189	M55-T67 HydrophobicContact CG-CG2 3.9Å; M55-T67 HydrophobicContact SD-CG2 3.9Å; E59-T67 PolarHBondContact OE1-OG1 3.39Å; I65-T67 HydrophobicContact CD1-CG2 3.91Å; I65-T67 HydrophobicContact CG1-CG2 4.31Å; T67-L188 WeakPolarHBondContact CA-O 3.48Å; T67-L189 HydrophobicContact CG2-CD2 3.82Å
68	E	91.2	Very high	85.3	Confident	122 Å²	122	65 Å²	65	57%	0.57	34%	0.343	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-120	123.7	169.9	-175.6	-175.5	172.9	0	0	109.3	V70 F187 L188	E68-V70 PolarHBondContact O-N 2.94Å; E68-F187 CarbonylContact O-C 3.5Å; E68-F187 WeakPolarHBondContact O-CA 3.45Å; E68-L188 HydrophobicContact CB-CB 4.28Å; E68-L188 PolarHBondContact N-O 2.95Å; E68-L188 PolarHBondContact O-N 3.42Å
69	Q	92.2	Very high	85.4	Confident	119 Å²	119	71 Å²	71	56%	0.556	37%	0.372	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.3	119.1	-178.7	-173.1	-178.4	-38.4	0	0	111.1	V71 T185 F187	Q69-V71 HydrophobicContact CG-CG2 4.29Å; Q69-T185 HydrophobicContact CG-CG2 3.42Å; Q69-T185 VanDerWaalsContact CG-CG2 3.42Å; Q69-F187 HydrophobicContact CB-CD1 3.99Å; Q69-F187 HydrophobicContact CB-CE1 3.85Å; Q69-F187 HydrophobicContact CG-CD1 4.19Å; Q69-F187 HydrophobicContact CG-CE1 3.75Å; Q69-F187 HydrophobicContact CG-CZ 4.24Å
70	V	89.6	Confident	85.6	Confident	47 Å²	47	69.5 Å²	69.5	29%	0.285	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	116.5	176.5	-177.5	0	0	0	0	109.7	E68 T186 L188	E68-V70 PolarHBondContact O-N 2.94Å; V70-T186 CarbonylContact C-O 3.58Å; V70-T186 PolarHBondContact N-O 2.88Å; V70-T186 PolarHBondContact O-N 3.24Å; V70-T186 PolarHBondContact O-OG1 2.73Å; V70-L188 HydrophobicContact CG2-CB 4.4Å
71	V	86.7	Confident	86	Confident	64 Å²	64	65.5 Å²	65.5	39%	0.388	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	109.6	179.6	-176.1	0	0	0	0	109.8	Q69 K73 T185	Q69-V71 HydrophobicContact CG-CG2 4.29Å; V71-K73 HydrophobicContact CG1-CG 4.12Å; V71-T185 HydrophobicContact CG2-CG2 4.23Å
72	N	82.6	Confident	86.6	Confident	90 Å²	90	66.1 Å²	66.1	48%	0.481	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	125.5	173.4	-71.2	-46.1	0	0	0	109.7	S183 R184	N72-S183 CarbonylContact O-C 3.58Å; N72-S183 WeakPolarHBondContact O-CA 3.39Å; N72-R184 PolarHBondContact N-O 2.88Å; N72-R184 PolarHBondContact O-N 2.69Å
73	K	82.9	Confident	87.3	Confident	138 Å²	138	70 Å²	70	60%	0.6	34%	0.341	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-116.7	126.2	-179.9	-64.5	176.6	169	-157	0	109.8	V71 E181 V182	V71-K73 HydrophobicContact CG1-CG 4.12Å; K73-E181 HydrophobicContact CB-CG 4.46Å; K73-E181 WeakPolarHBondContact CD-OE1 3.43Å; K73-E181 IonicContact NZ-OE1 3.56Å; K73-E181 PolarHBondContact NZ-OE1 2.91Å; K73-V182 WeakPolarHBondContact CA-O 3.45Å
74	H	83.1	Confident	87.8	Confident	74 Å²	74	65.6 Å²	65.6	34%	0.343	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	158.2	169.6	66.7	-80.2	0	0	0	110	E76 V182	H74-E76 IonicContact CD2-OE1 3.62Å; H74-E76 IonicContact CE1-OE1 3.97Å; H74-E76 IonicContact NE2-OE1 3.32Å; H74-E76 PolarHBondContact NE2-OE1 2.88Å; H74-V182 PolarHBondContact N-O 3.33Å; H74-V182 PolarHBondContact O-N 3.34Å
75	M	84.1	Confident	88	Confident	47 Å²	47	65.2 Å²	65.2	23%	0.232	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	134.5	-179.2	-68.3	-79.7	-177.9	0	0	109.4	F157 I179 Y180 E181	M75-F157 HydrophobicContact CB-CE1 3.8Å; M75-I179 HydrophobicContact SD-CD1 4.48Å; M75-Y180 CarbonylContact C-O 3.56Å; M75-Y180 WeakPolarHBondContact CA-O 3.3Å; M75-E181 HydrophobicContact CE-CB 3.78Å; M75-E181 HydrophobicContact CE-CG 3.81Å; M75-E181 WeakPolarHBondContact CE-OE2 3.46Å; M75-E181 HydrophobicContact SD-CB 3.61Å; M75-E181 HydrophobicContact SD-CG 4.06Å
76	E	86.8	Confident	88	Confident	64 Å²	64	68.3 Å²	68.3	30%	0.299	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	156.5	176.6	-68.8	-177.3	-179.4	0	0	110.7	H74 I179 Y180 V182	H74-E76 IonicContact CD2-OE1 3.62Å; H74-E76 IonicContact CE1-OE1 3.97Å; H74-E76 IonicContact NE2-OE1 3.32Å; H74-E76 PolarHBondContact NE2-OE1 2.88Å; E76-I179 CarbonylContact O-C 3.59Å; E76-I179 VanDerWaalsContact O-CA 3.23Å; E76-I179 WeakPolarHBondContact O-CA 3.33Å; E76-I179 WeakPolarHBondContact O-CB 3.42Å; E76-Y180 HydrophobicContact CB-CD1 4.39Å; E76-Y180 HydrophobicContact CB-CE1 3.81Å; E76-Y180 HydrophobicContact CB-CE2 4.11Å; E76-Y180 PolarHBondContact N-O 3.28Å; E76-Y180 WeakPolarHBondContact O-CD1 3.45Å; E76-Y180 PolarHBondContact O-N 3.08Å; E76-Y180 PolarHBondContact OE2-OH 2.83Å; E76-V182 HydrophobicContact CB-CG2 4.29Å; E76-V182 HydrophobicContact CG-CG2 3.97Å
77	L	88.7	Confident	87.9	Confident	17 Å²	17	68.4 Å²	68.4	9%	0.089	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	132.9	173.8	-72.3	164.7	0	0	0	110.2	K82 L154 F157 S158 I179 Y180	L77-K82 HydrophobicContact CB-CG 3.89Å; L77-K82 HydrophobicContact CD1-CG 4.38Å; L77-L154 HydrophobicContact CD2-CB 4.12Å; L77-L154 HydrophobicContact CD2-CD2 3.34Å; L77-L154 HydrophobicContact CD2-CG 4.27Å; L77-F157 HydrophobicContact CD1-CB 4.1Å; L77-F157 HydrophobicContact CD2-CB 3.9Å; L77-F157 HydrophobicContact CD2-CG 4.47Å; L77-F157 HydrophobicContact CG-CB 3.89Å; L77-S158 WeakPolarHBondContact CD1-OG 3.12Å; L77-I179 HydrophobicContact CD2-CG2 3.96Å; L77-Y180 WeakPolarHBondContact O-CE1 3.24Å
78	T	89.9	Confident	87.8	Confident	27 Å²	27	66.4 Å²	66.4	17%	0.166	34%	0.336	C	S	.	.			trans	-65.9	164.4	165.8	59.6	0	0	0	0	110.1	E80 G81 K82 K177 L178 Y180	T78-E80 PolarHBondContact O-N 3.45Å; T78-G81 CarbonylContact O-C 3.55Å; T78-G81 WeakPolarHBondContact O-CA 3.37Å; T78-G81 PolarHBondContact O-N 2.87Å; T78-G81 PolarHBondContact OG1-N 2.94Å; T78-K82 WeakPolarHBondContact O-CG 3.41Å; T78-K82 PolarHBondContact O-N 3.45Å; T78-K177 WeakPolarHBondContact CB-O 3.48Å; T78-K177 VanDerWaalsContact CG2-O 3.23Å; T78-K177 WeakPolarHBondContact CG2-O 3.27Å; T78-K177 PolarHBondContact OG1-O 3.39Å; T78-L178 PolarHBondContact N-O 2.99Å; T78-L178 VanDerWaalsContact N-O 3.08Å; T78-L178 WeakPolarHBondContact OG1-CA 3.33Å; T78-L178 PolarHBondContact OG1-O 3.47Å; T78-Y180 HydrophobicContact CG2-CD1 3.56Å; T78-Y180 HydrophobicContact CG2-CE1 4.31Å; T78-Y180 HydrophobicContact CG2-CG 4.42Å
79	E	88	Confident	87.8	Confident	130 Å²	130	60.6 Å²	60.6	61%	0.607	31%	0.309	S	S	*	.	H	α-helix	trans	-55.9	-41.3	172.8	-65	-53.9	123.7	0	0	111.7	G81 K82 E83	E79-G81 VanDerWaalsContact C-N 3.34Å; E79-G81 PolarHBondContact O-N 2.8Å; E79-K82 WeakPolarHBondContact O-CB 3.2Å; E79-K82 PolarHBondContact O-N 3.39Å; E79-K82 IonicContact OE1-NZ 3.23Å; E79-K82 PolarHBondContact OE1-NZ 2.91Å; E79-K82 IonicContact OE2-NZ 3.88Å; E79-E83 PolarHBondContact O-N 3.38Å
80	E	88.3	Confident	87.7	Confident	53 Å²	53	55.6 Å²	55.6	25%	0.248	29%	0.286	C	S	.	.	H	α-helix	trans	-62.9	-39	172.2	-171.5	-179.3	173.8	0	0	112.1	T78 K82 E83 V84 H90 N113 L178	T78-E80 PolarHBondContact O-N 3.45Å; E80-K82 PolarHBondContact O-N 3.13Å; E80-E83 PolarHBondContact O-N 3.39Å; E80-V84 WeakPolarHBondContact O-CG2 3.42Å; E80-V84 PolarHBondContact O-N 2.93Å; E80-H90 IonicContact OE1-CD2 3.38Å; E80-H90 IonicContact OE1-CE1 2.67Å; E80-H90 IonicContact OE1-NE2 2.75Å; E80-H90 PolarHBondContact OE1-NE2 2.87Å; E80-N113 PolarHBondContact OE1-ND2 3.23Å; E80-L178 HydrophobicContact CB-CD2 4.47Å; E80-L178 HydrophobicContact CG-CD2 3.95Å
81	G	89	Confident	87.8	Confident	0 Å²	0	53.8 Å²	53.8	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-61.8	-39.5	173.9	0	0	0	0	0	113.4	T78 E79 V84 A85 L178	T78-G81 CarbonylContact O-C 3.55Å; T78-G81 WeakPolarHBondContact O-CA 3.37Å; T78-G81 PolarHBondContact O-N 2.87Å; T78-G81 PolarHBondContact OG1-N 2.94Å; E79-G81 VanDerWaalsContact C-N 3.34Å; E79-G81 PolarHBondContact O-N 2.8Å; G81-V84 PolarHBondContact O-N 3.21Å; G81-A85 WeakPolarHBondContact O-CB 3.23Å; G81-A85 PolarHBondContact O-N 2.83Å; G81-L178 WeakPolarHBondContact CA-O 3.12Å
82	K	88.8	Confident	88	Confident	100 Å²	100	50.8 Å²	50.8	44%	0.435	26%	0.256	S	S	.	.	H	α-helix	trans	-65	-43.3	174.5	-66.9	174.1	-172.9	166.9	0	111.2	L77 T78 E79 E80 A85 A86	L77-K82 HydrophobicContact CB-CG 3.89Å; L77-K82 HydrophobicContact CD1-CG 4.38Å; T78-K82 WeakPolarHBondContact O-CG 3.41Å; T78-K82 PolarHBondContact O-N 3.45Å; E79-K82 WeakPolarHBondContact O-CB 3.2Å; E79-K82 PolarHBondContact O-N 3.39Å; E79-K82 IonicContact OE1-NZ 3.23Å; E79-K82 PolarHBondContact OE1-NZ 2.91Å; E79-K82 IonicContact OE2-NZ 3.88Å; E80-K82 PolarHBondContact O-N 3.13Å; K82-A85 PolarHBondContact O-N 3.31Å; K82-A86 PolarHBondContact O-N 2.94Å
83	E	88	Confident	88.3	Confident	120 Å²	120	48.5 Å²	48.5	56%	0.561	24%	0.243	S	C	*	.	H	α-helix	trans	-61.7	-43.1	175.3	-73.4	-175.6	173.5	0	0	112.1	E79 E80 A86 N87	E79-E83 PolarHBondContact O-N 3.38Å; E80-E83 PolarHBondContact O-N 3.39Å; E83-A86 PolarHBondContact O-N 3.46Å; E83-N87 WeakPolarHBondContact O-CB 3.43Å; E83-N87 PolarHBondContact O-N 3.23Å; E83-N87 PolarHBondContact O-ND2 3.07Å
84	V	89.4	Confident	88.7	Confident	1 Å²	1	42 Å²	42	1%	0.006	22%	0.215	C	C	.	.	H	α-helix	trans	-66.2	-39.7	177.2	169.4	0	0	0	0	111.6	E80 G81 A86 G88 V150 L154 L178	E80-V84 WeakPolarHBondContact O-CG2 3.42Å; E80-V84 PolarHBondContact O-N 2.93Å; G81-V84 PolarHBondContact O-N 3.21Å; V84-A86 VanDerWaalsContact C-N 3.28Å; V84-A86 PolarHBondContact O-N 2.92Å; V84-G88 CarbonylContact O-C 3.32Å; V84-G88 VanDerWaalsContact O-CA 3.32Å; V84-G88 WeakPolarHBondContact O-CA 3.19Å; V84-G88 PolarHBondContact O-N 3.09Å; V84-V150 HydrophobicContact CG1-CG1 4.28Å; V84-L154 HydrophobicContact CB-CD1 3.87Å; V84-L154 HydrophobicContact CG1-CD1 3.38Å; V84-L178 HydrophobicContact CB-CD2 4.28Å; V84-L178 HydrophobicContact CG2-CD2 3.83Å
85	A	89.1	Confident	89.1	Confident	4 Å²	4	39.8 Å²	39.8	3%	0.033	20%	0.204	C	C	.	.	H	α-helix	trans	-59.7	-40.9	175.2	0	0	0	0	0	111.3	G81 K82 Q151 L154 N155	G81-A85 WeakPolarHBondContact O-CB 3.23Å; G81-A85 PolarHBondContact O-N 2.83Å; K82-A85 PolarHBondContact O-N 3.31Å; A85-Q151 WeakPolarHBondContact O-CG 3.22Å; A85-Q151 PolarHBondContact O-NE2 3.29Å; A85-L154 HydrophobicContact CB-CB 3.93Å; A85-N155 PolarHBondContact O-ND2 3.26Å; A85-N155 PolarHBondContact O-OD1 3.09Å
86	A	88.6	Confident	89.4	Confident	72 Å²	72	42.9 Å²	42.9	60%	0.595	22%	0.216	S	C	*	.	H	α-helix	trans	-75.2	-47.4	-179.9	0	0	0	0	0	113.7	K82 E83 V84	K82-A86 PolarHBondContact O-N 2.94Å; E83-A86 PolarHBondContact O-N 3.46Å; V84-A86 VanDerWaalsContact C-N 3.28Å; V84-A86 PolarHBondContact O-N 2.92Å
87	N	88.1	Confident	89.5	Confident	106 Å²	106	43.3 Å²	43.3	57%	0.567	22%	0.22	S	C	*	.	H	α-helix	trans	-102.4	-14.7	-167.1	-63.3	-41.1	0	0	0	114.5	E83	E83-N87 WeakPolarHBondContact O-CB 3.43Å; E83-N87 PolarHBondContact O-N 3.23Å; E83-N87 PolarHBondContact O-ND2 3.07Å
88	G	89.3	Confident	89.5	Confident	0 Å²	0	42.5 Å²	42.5	0%	0	22%	0.216	C	C	.	.			trans	106.6	161.2	-171.9	0	0	0	0	0	112.3	V84 I93 D148 Q151	V84-G88 CarbonylContact O-C 3.32Å; V84-G88 VanDerWaalsContact O-CA 3.32Å; V84-G88 WeakPolarHBondContact O-CA 3.19Å; V84-G88 PolarHBondContact O-N 3.09Å; G88-I93 WeakPolarHBondContact O-CD1 3.23Å; G88-D148 WeakPolarHBondContact CA-OD2 3.27Å; G88-Q151 VanDerWaalsContact CA-CD 3.49Å
89	S	91	Very high	89.3	Confident	0 Å²	0	45.2 Å²	45.2	0%	0	23%	0.23	C	C	.	.			trans	-65.7	153.1	175.3	63.6	0	0	0	0	112.3	E91 A92 I93 D148	S89-E91 PolarHBondContact O-N 3.15Å; S89-E91 VanDerWaalsContact O-N 3.14Å; S89-E91 WeakPolarHBondContact OG-CG 2.98Å; S89-A92 CarbonylContact O-C 3.6Å; S89-A92 WeakPolarHBondContact O-CA 3.2Å; S89-A92 WeakPolarHBondContact O-CB 3.36Å; S89-A92 PolarHBondContact O-N 3.36Å; S89-A92 WeakPolarHBondContact OG-CB 3.41Å; S89-A92 PolarHBondContact OG-N 3.19Å; S89-I93 WeakPolarHBondContact O-CG1 3.36Å; S89-I93 PolarHBondContact O-N 2.75Å; S89-D148 WeakPolarHBondContact CB-OD1 3.4Å; S89-D148 PolarHBondContact N-OD2 3Å; S89-D148 PolarHBondContact OG-OD1 3.13Å; S89-D148 PolarHBondContact OG-OD2 3.4Å; S89-D148 VanDerWaalsContact OG-OD2 3.08Å
90	H	89.8	Confident	88.9	Confident	14 Å²	14	44.2 Å²	44.2	7%	0.065	24%	0.237	C	C	.	.	H	α-helix	trans	-53.2	-37.4	179.8	-61.3	-42.8	0	0	0	111.8	E80 I94 N113 G117	E80-H90 IonicContact OE1-CD2 3.38Å; E80-H90 IonicContact OE1-CE1 2.67Å; E80-H90 IonicContact OE1-NE2 2.75Å; E80-H90 PolarHBondContact OE1-NE2 2.87Å; H90-I94 VanDerWaalsContact O-CG1 3.3Å; H90-I94 WeakPolarHBondContact O-CG1 3.35Å; H90-I94 PolarHBondContact O-N 3.21Å; H90-N113 PolarHBondContact CE1-ND2 3.5Å; H90-N113 VanDerWaalsContact CE1-ND2 3.34Å; H90-N113 PolarHBondContact NE2-ND2 2.96Å; H90-G117 VanDerWaalsContact C-CA 3.43Å
91	E	91	Very high	88.6	Confident	9 Å²	9	48.4 Å²	48.4	4%	0.042	26%	0.261	C	S	.	.	H	α-helix	trans	-67.7	-37.3	174.9	53.5	-87.8	-141.2	0	0	113.5	S89 W95 G117 K120 A121 W126 R176	S89-E91 PolarHBondContact O-N 3.15Å; S89-E91 VanDerWaalsContact O-N 3.14Å; S89-E91 WeakPolarHBondContact OG-CG 2.98Å; E91-W95 PolarHBondContact O-N 3.38Å; E91-W95 VanDerWaalsContact O-N 3.07Å; E91-G117 WeakPolarHBondContact CA-O 3.44Å; E91-G117 WeakPolarHBondContact CB-O 3.39Å; E91-K120 HydrophobicContact CB-CB 3.88Å; E91-K120 HydrophobicContact CG-CB 4.21Å; E91-A121 HydrophobicContact CB-CB 3.94Å; E91-W126 HydrophobicContact CB-CE3 4.09Å; E91-W126 HydrophobicContact CB-CZ3 3.73Å; E91-W126 HydrophobicContact CG-CE3 4.23Å; E91-W126 HydrophobicContact CG-CH2 3.83Å; E91-W126 HydrophobicContact CG-CZ3 3.4Å; E91-W126 VanDerWaalsContact CG-CZ3 3.4Å; E91-R176 IonicContact OE1-CZ 2.72Å; E91-R176 IonicContact OE1-NH1 3.68Å; E91-R176 PolarHBondContact OE1-NH1 3.06Å; E91-R176 IonicContact OE1-NH2 3.77Å; E91-R176 PolarHBondContact OE1-NH2 3.45Å; E91-R176 VanDerWaalsContact OE1-NH2 3.16Å; E91-R176 IonicContact OE2-CZ 3.56Å; E91-R176 IonicContact OE2-NH1 3.91Å; E91-R176 IonicContact OE2-NH2 2.71Å; E91-R176 PolarHBondContact OE2-NH2 2.68Å
92	A	91	Very high	88.4	Confident	1 Å²	1	49.1 Å²	49.1	1%	0.008	27%	0.268	C	S	.	.	H	α-helix	trans	-72.8	-37.1	175.7	0	0	0	0	0	111.7	S89 I94 W95 K96 W126 I146 D148	S89-A92 CarbonylContact O-C 3.6Å; S89-A92 WeakPolarHBondContact O-CA 3.2Å; S89-A92 WeakPolarHBondContact O-CB 3.36Å; S89-A92 PolarHBondContact O-N 3.36Å; S89-A92 WeakPolarHBondContact OG-CB 3.41Å; S89-A92 PolarHBondContact OG-N 3.19Å; A92-I94 VanDerWaalsContact C-N 3.35Å; A92-W95 PolarHBondContact O-N 3.46Å; A92-K96 WeakPolarHBondContact O-CB 3.35Å; A92-K96 WeakPolarHBondContact O-CG 3.49Å; A92-K96 PolarHBondContact O-N 2.81Å; A92-W126 HydrophobicContact CB-CZ3 4.21Å; A92-I146 HydrophobicContact CB-CD1 3.61Å; A92-D148 HydrophobicContact CB-CB 4.15Å; A92-D148 WeakPolarHBondContact CB-OD2 3.42Å
93	I	90.4	Very high	88.3	Confident	41 Å²	41	44.6 Å²	44.6	21%	0.21	25%	0.249	C	C	.	.	H	α-helix	trans	-61	-44.9	173.3	-67.3	170.2	0	0	0	110	G88 S89 K96 N97 L111	G88-I93 WeakPolarHBondContact O-CD1 3.23Å; S89-I93 WeakPolarHBondContact O-CG1 3.36Å; S89-I93 PolarHBondContact O-N 2.75Å; I93-K96 PolarHBondContact O-N 3.41Å; I93-N97 PolarHBondContact O-N 3.12Å; I93-N97 VanDerWaalsContact O-N 3.12Å; I93-N97 PolarHBondContact O-ND2 2.93Å; I93-L111 HydrophobicContact CG2-CD1 4.39Å
94	I	89.9	Confident	88.3	Confident	2 Å²	2	40.5 Å²	40.5	1%	0.01	24%	0.235	C	C	.	.	H	α-helix	trans	-59.8	-50.9	175.3	-70.6	-71.8	0	0	0	110.4	H90 A92 K96 N97 V98 L108 L111 A114 F118 A121 I127	H90-I94 VanDerWaalsContact O-CG1 3.3Å; H90-I94 WeakPolarHBondContact O-CG1 3.35Å; H90-I94 PolarHBondContact O-N 3.21Å; A92-I94 VanDerWaalsContact C-N 3.35Å; I94-K96 VanDerWaalsContact C-N 3.34Å; I94-K96 PolarHBondContact O-N 3.09Å; I94-N97 PolarHBondContact O-N 3.42Å; I94-N97 VanDerWaalsContact O-N 3.09Å; I94-V98 WeakPolarHBondContact O-CG2 3.48Å; I94-V98 PolarHBondContact O-N 3.11Å; I94-L108 HydrophobicContact CD1-CB 4.25Å; I94-L111 HydrophobicContact CD1-CD1 4.02Å; I94-A114 HydrophobicContact CD1-CB 3.99Å; I94-F118 HydrophobicContact CG2-CD2 4.48Å; I94-A121 HydrophobicContact CG2-CB 4.42Å; I94-I127 HydrophobicContact CG2-CD1 3.95Å
95	W	91.3	Very high	88.3	Confident	27 Å²	27	42.1 Å²	42.1	10%	0.102	24%	0.244	C	C	.	.	H	α-helix	trans	-59	-42.4	179.9	-178.8	90.2	0	0	0	112.6	E91 A92 N97 V98 W126 R141 V143 D144 I146	E91-W95 PolarHBondContact O-N 3.38Å; E91-W95 VanDerWaalsContact O-N 3.07Å; A92-W95 PolarHBondContact O-N 3.46Å; W95-N97 VanDerWaalsContact C-N 3.27Å; W95-N97 PolarHBondContact O-N 3.28Å; W95-V98 PolarHBondContact O-N 2.71Å; W95-W126 HydrophobicContact CB-CE3 4.49Å; W95-R141 PolarHBondContact O-NE 2.74Å; W95-R141 PolarHBondContact O-NH2 3.24Å; W95-R141 VanDerWaalsContact O-NH2 3.16Å; W95-V143 VanDerWaalsContact CZ2-O 3.32Å; W95-V143 WeakPolarHBondContact CZ2-O 3.47Å; W95-V143 PolarHBondContact NE1-O 3.3Å; W95-D144 VanDerWaalsContact CH2-O 3.28Å; W95-D144 WeakPolarHBondContact CH2-O 3.49Å; W95-D144 VanDerWaalsContact CZ2-O 3.27Å; W95-D144 WeakPolarHBondContact CZ2-O 3.38Å; W95-I146 HydrophobicContact CB-CD1 4.06Å; W95-I146 HydrophobicContact CD2-CB 4.49Å; W95-I146 HydrophobicContact CD2-CD1 3.86Å; W95-I146 HydrophobicContact CD2-CG1 4.03Å; W95-I146 HydrophobicContact CD2-CG2 3.66Å; W95-I146 HydrophobicContact CE3-CD1 3.59Å; W95-I146 HydrophobicContact CE3-CG1 3.77Å; W95-I146 HydrophobicContact CE3-CG2 4.29Å; W95-I146 HydrophobicContact CG-CD1 4.09Å; W95-I146 HydrophobicContact CG-CG2 3.75Å; W95-I146 HydrophobicContact CZ2-CG2 4.27Å; W95-I146 HydrophobicContact CZ3-CD1 4.33Å; W95-I146 HydrophobicContact CZ3-CG1 4.09Å
96	K	90.1	Very high	88.1	Confident	112 Å²	112	44.7 Å²	44.7	49%	0.487	26%	0.262	S	S	.	.	H	α-helix	trans	-61	-33	175.9	-76.9	177	-175.5	172.9	0	112.9	A92 I93 I94 R141	A92-K96 WeakPolarHBondContact O-CB 3.35Å; A92-K96 WeakPolarHBondContact O-CG 3.49Å; A92-K96 PolarHBondContact O-N 2.81Å; I93-K96 PolarHBondContact O-N 3.41Å; I94-K96 VanDerWaalsContact C-N 3.34Å; I94-K96 PolarHBondContact O-N 3.09Å; K96-R141 PolarHBondContact O-NH2 3.37Å
97	N	90.8	Very high	88.1	Confident	74 Å²	74	47.4 Å²	47.4	40%	0.396	26%	0.26	S	S	.	.	H	α-helix	trans	-87	-2.8	179.9	-78.3	-86.9	0	0	0	114.5	I93 I94 W95 L108 L111	I93-N97 PolarHBondContact O-N 3.12Å; I93-N97 VanDerWaalsContact O-N 3.12Å; I93-N97 PolarHBondContact O-ND2 2.93Å; I94-N97 PolarHBondContact O-N 3.42Å; I94-N97 VanDerWaalsContact O-N 3.09Å; W95-N97 VanDerWaalsContact C-N 3.27Å; W95-N97 PolarHBondContact O-N 3.28Å; N97-L108 HydrophobicContact CB-CD2 3.72Å; N97-L111 HydrophobicContact CB-CD1 3.78Å
98	V	88.4	Confident	88	Confident	0 Å²	0	42.5 Å²	42.5	0%	0	23%	0.234	C	C	.	.	S	Bend	trans	-84	120.3	171.3	-174.8	0	0	0	0	109.8	I94 W95 L108 I127 V139 R141	I94-V98 WeakPolarHBondContact O-CG2 3.48Å; I94-V98 PolarHBondContact O-N 3.11Å; W95-V98 PolarHBondContact O-N 2.71Å; V98-L108 HydrophobicContact CG2-CD1 3.89Å; V98-L108 HydrophobicContact CG2-CD2 4.18Å; V98-I127 HydrophobicContact CG2-CG2 4.11Å; V98-V139 VanDerWaalsContact CG1-O 3.22Å; V98-V139 WeakPolarHBondContact CG1-O 3.31Å; V98-V139 HydrophobicContact CG2-CG1 3.99Å; V98-R141 HydrophobicContact CB-CG 3.87Å; V98-R141 HydrophobicContact CG1-CG 3.93Å; V98-R141 PolarHBondContact O-NE 3.12Å; V98-R141 PolarHBondContact O-NH2 3.14Å
99	D	85.3	Confident	87.9	Confident	84 Å²	84	46.6 Å²	46.6	45%	0.449	25%	0.254	S	S	.	.			trans	-71.6	157.3	176.9	-61.2	-49.5	0	0	0	111.2	N101 G102 T103	D99-N101 PolarHBondContact O-N 2.82Å; D99-G102 PolarHBondContact O-N 2.83Å; D99-T103 PolarHBondContact N-OG1 3.15Å; D99-T103 PolarHBondContact OD2-OG1 3.45Å
100	S	79.7	Confident	87.7	Confident	108 Å²	108	55.1 Å²	55.1	76%	0.755	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.9	-31.9	178.2	49	0	0	0	0	113.2	G102	S100-G102 VanDerWaalsContact C-N 3.28Å; S100-G102 PolarHBondContact O-N 2.89Å
101	N	81.1	Confident	87.5	Confident	141 Å²	141	56.5 Å²	56.5	75%	0.754	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.9	4.9	177.9	-64.8	-18.3	0	0	0	113.5	D99 F140	D99-N101 PolarHBondContact O-N 2.82Å; N101-F140 VanDerWaalsContact O-CE1 3.28Å; N101-F140 WeakPolarHBondContact O-CE1 3.37Å
102	G	85.2	Confident	87	Confident	15 Å²	15	61 Å²	61	16%	0.155	33%	0.329	C	S	.	.			trans	86.9	151.5	-173.7	0	0	0	0	0	112.9	D99 S100 V139	D99-G102 PolarHBondContact O-N 2.83Å; S100-G102 VanDerWaalsContact C-N 3.28Å; S100-G102 PolarHBondContact O-N 2.89Å; G102-V139 CarbonylContact C-O 3.56Å; G102-V139 VanDerWaalsContact CA-O 3.23Å; G102-V139 WeakPolarHBondContact CA-O 3.34Å
103	T	87.1	Confident	86.6	Confident	6 Å²	6	64.2 Å²	64.2	4%	0.037	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	137.5	-178.6	-55.5	0	0	0	0	109.9	D99 L105 K107 L108 V139	D99-T103 PolarHBondContact N-OG1 3.15Å; D99-T103 PolarHBondContact OD2-OG1 3.45Å; T103-L105 PolarHBondContact O-N 2.84Å; T103-K107 HydrophobicContact CG2-CB 4.13Å; T103-K107 HydrophobicContact CG2-CD 3.9Å; T103-K107 HydrophobicContact CG2-CG 4.38Å; T103-L108 HydrophobicContact CG2-CD1 4.41Å; T103-L108 HydrophobicContact CG2-CD2 4.34Å; T103-L108 HydrophobicContact CG2-CG 4.07Å; T103-V139 PolarHBondContact N-O 2.88Å; T103-V139 PolarHBondContact O-N 2.96Å
104	A	87.4	Confident	86.4	Confident	33 Å²	33	62.5 Å²	62.5	27%	0.273	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.7	135	176.4	0	0	0	0	0	111.4	S106 K107	A104-S106 VanDerWaalsContact C-N 3.27Å; A104-S106 PolarHBondContact O-N 2.92Å; A104-K107 WeakPolarHBondContact O-CB 3.4Å; A104-K107 PolarHBondContact O-N 2.84Å; A104-K107 VanDerWaalsContact O-N 3.08Å
105	L	88.8	Confident	86.2	Confident	36 Å²	36	69.4 Å²	69.4	19%	0.188	37%	0.368	C	S	.	.	H	α-helix	trans	-58.3	-37.1	-177	-178.9	61.7	0	0	0	112.2	T103 K107 L108 M109 F118 L129 P137 V139	T103-L105 PolarHBondContact O-N 2.84Å; L105-K107 VanDerWaalsContact C-N 3.26Å; L105-K107 PolarHBondContact O-N 3.39Å; L105-L108 PolarHBondContact O-N 2.83Å; L105-M109 HydrophobicContact CD1-CG 4.03Å; L105-M109 HydrophobicContact CD1-SD 4.39Å; L105-M109 HydrophobicContact CG-CG 4.09Å; L105-M109 VanDerWaalsContact O-CG 3.26Å; L105-M109 WeakPolarHBondContact O-CG 3.26Å; L105-M109 PolarHBondContact O-N 3.45Å; L105-F118 HydrophobicContact CD1-CD2 3.9Å; L105-F118 HydrophobicContact CD1-CE1 4.44Å; L105-F118 HydrophobicContact CD1-CE2 3.53Å; L105-F118 HydrophobicContact CD1-CZ 3.83Å; L105-L129 HydrophobicContact CD2-CD1 4.33Å; L105-P137 HydrophobicContact CB-CB 4.32Å; L105-P137 WeakPolarHBondContact CB-O 3.24Å; L105-P137 HydrophobicContact CD2-CB 4.28Å; L105-P137 HydrophobicContact CD2-CG 4.46Å; L105-P137 PolarHBondContact N-O 3.34Å; L105-V139 HydrophobicContact CB-CG2 4.21Å; L105-V139 HydrophobicContact CD1-CG2 3.8Å
106	S	86.9	Confident	85.9	Confident	58 Å²	58	72.1 Å²	72.1	41%	0.406	38%	0.383	S	S	.	.	H	α-helix	trans	-60.4	-34	177.5	62	0	0	0	0	113.3	A104 E136	A104-S106 VanDerWaalsContact C-N 3.27Å; A104-S106 PolarHBondContact O-N 2.92Å; S106-E136 WeakPolarHBondContact CA-OE1 3.34Å; S106-E136 WeakPolarHBondContact CB-OE1 3.07Å; S106-E136 PolarHBondContact N-OE1 2.79Å; S106-E136 PolarHBondContact OG-OE1 2.94Å; S106-E136 PolarHBondContact OG-OE2 3.08Å
107	K	87.9	Confident	85.8	Confident	129 Å²	129	66.8 Å²	66.8	56%	0.561	36%	0.36	S	S	*	.	H	α-helix	trans	-68.5	-39.6	178.8	-170.1	-179.8	174.5	-167.9	0	110.9	T103 A104 L105	T103-K107 HydrophobicContact CG2-CB 4.13Å; T103-K107 HydrophobicContact CG2-CD 3.9Å; T103-K107 HydrophobicContact CG2-CG 4.38Å; A104-K107 WeakPolarHBondContact O-CB 3.4Å; A104-K107 PolarHBondContact O-N 2.84Å; A104-K107 VanDerWaalsContact O-N 3.08Å; L105-K107 VanDerWaalsContact C-N 3.26Å; L105-K107 PolarHBondContact O-N 3.39Å
108	L	86.5	Confident	85.8	Confident	2 Å²	2	64.3 Å²	64.3	1%	0.01	35%	0.346	C	S	.	.	H	α-helix	trans	-72.8	-35.8	178.5	-65.1	164.8	0	0	0	112	I94 N97 V98 T103 L105 K110 L111 A114 V139	I94-L108 HydrophobicContact CD1-CB 4.25Å; N97-L108 HydrophobicContact CB-CD2 3.72Å; V98-L108 HydrophobicContact CG2-CD1 3.89Å; V98-L108 HydrophobicContact CG2-CD2 4.18Å; T103-L108 HydrophobicContact CG2-CD1 4.41Å; T103-L108 HydrophobicContact CG2-CD2 4.34Å; T103-L108 HydrophobicContact CG2-CG 4.07Å; L105-L108 PolarHBondContact O-N 2.83Å; L108-K110 PolarHBondContact O-N 3.04Å; L108-K110 VanDerWaalsContact O-N 3.13Å; L108-L111 HydrophobicContact CD2-CD1 4.36Å; L108-L111 WeakPolarHBondContact O-CB 3.21Å; L108-L111 PolarHBondContact O-N 3.16Å; L108-L111 VanDerWaalsContact O-N 3.1Å; L108-A114 WeakPolarHBondContact O-CB 3.3Å; L108-V139 HydrophobicContact CD1-CB 3.69Å; L108-V139 HydrophobicContact CD1-CG1 4.07Å; L108-V139 HydrophobicContact CD1-CG2 3.74Å
109	M	87.2	Confident	85.9	Confident	86 Å²	86	68.5 Å²	68.5	42%	0.424	37%	0.368	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-8.2	179.6	-67.7	-63.2	-75	0	0	114.2	L105 A114 K115	L105-M109 HydrophobicContact CD1-CG 4.03Å; L105-M109 HydrophobicContact CD1-SD 4.39Å; L105-M109 HydrophobicContact CG-CG 4.09Å; L105-M109 VanDerWaalsContact O-CG 3.26Å; L105-M109 WeakPolarHBondContact O-CG 3.26Å; L105-M109 PolarHBondContact O-N 3.45Å; M109-A114 HydrophobicContact SD-CB 4.39Å; M109-K115 HydrophobicContact CE-CB 4.09Å; M109-K115 HydrophobicContact CE-CG 4.3Å
110	K	86.8	Confident	86	Confident	179 Å²	179	67.5 Å²	67.5	78%	0.778	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.5	-13	171.9	-70.5	176.8	-179	-178.1	0	113.8	L108	L108-K110 PolarHBondContact O-N 3.04Å; L108-K110 VanDerWaalsContact O-N 3.13Å
111	L	84.8	Confident	86.5	Confident	44 Å²	44	62.3 Å²	62.3	23%	0.23	32%	0.324	C	S	.	.	S	Bend	trans	-72.2	148.7	179.1	-65.4	164.9	0	0	0	110.7	I93 I94 N97 L108 N113 A114	I93-L111 HydrophobicContact CG2-CD1 4.39Å; I94-L111 HydrophobicContact CD1-CD1 4.02Å; N97-L111 HydrophobicContact CB-CD1 3.78Å; L108-L111 HydrophobicContact CD2-CD1 4.36Å; L108-L111 WeakPolarHBondContact O-CB 3.21Å; L108-L111 PolarHBondContact O-N 3.16Å; L108-L111 VanDerWaalsContact O-N 3.1Å; L111-N113 PolarHBondContact O-N 3.16Å; L111-A114 HydrophobicContact CB-CB 4.11Å; L111-A114 WeakPolarHBondContact O-CB 3.41Å; L111-A114 PolarHBondContact O-N 3.25Å; L111-A114 VanDerWaalsContact O-N 3.09Å
112	P	81.3	Confident	87	Confident	104 Å²	104	59.3 Å²	59.3	68%	0.675	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55	134.2	173.9	-22.5	32.4	0	0	0	110.6	A114	P112-A114 PolarHBondContact O-N 3.07Å
113	N	82.6	Confident	87.2	Confident	67 Å²	67	63.9 Å²	63.9	36%	0.358	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.4	23.9	-178	-64.8	-39.5	0	0	0	115.1	E80 H90 L111 K115 I116 G117	E80-N113 PolarHBondContact OE1-ND2 3.23Å; H90-N113 PolarHBondContact CE1-ND2 3.5Å; H90-N113 VanDerWaalsContact CE1-ND2 3.34Å; H90-N113 PolarHBondContact NE2-ND2 2.96Å; L111-N113 PolarHBondContact O-N 3.16Å; N113-K115 VanDerWaalsContact C-N 3.25Å; N113-K115 PolarHBondContact O-N 3.04Å; N113-K115 VanDerWaalsContact O-N 3.13Å; N113-I116 PolarHBondContact O-N 3.43Å; N113-G117 PolarHBondContact O-N 3.15Å
114	A	84.6	Confident	87.2	Confident	5 Å²	5	66.1 Å²	66.1	4%	0.041	36%	0.355	C	S	.	.	H	α-helix	trans	-54.6	-37.3	-176.2	0	0	0	0	0	113.7	I94 L108 M109 L111 P112 I116 G117 F118	I94-A114 HydrophobicContact CD1-CB 3.99Å; L108-A114 WeakPolarHBondContact O-CB 3.3Å; M109-A114 HydrophobicContact SD-CB 4.39Å; L111-A114 HydrophobicContact CB-CB 4.11Å; L111-A114 WeakPolarHBondContact O-CB 3.41Å; L111-A114 PolarHBondContact O-N 3.25Å; L111-A114 VanDerWaalsContact O-N 3.09Å; P112-A114 PolarHBondContact O-N 3.07Å; A114-I116 VanDerWaalsContact C-N 3.32Å; A114-I116 PolarHBondContact O-N 2.76Å; A114-G117 PolarHBondContact O-N 3Å; A114-F118 WeakPolarHBondContact O-CB 3.48Å; A114-F118 PolarHBondContact O-N 2.81Å
115	K	86.6	Confident	87.3	Confident	148 Å²	148	65.5 Å²	65.5	64%	0.643	35%	0.352	S	S	*	.	H	α-helix	trans	-63.1	-39	179.3	-168.8	175.4	-178.7	179.3	0	112.2	M109 N113 N119	M109-K115 HydrophobicContact CE-CB 4.09Å; M109-K115 HydrophobicContact CE-CG 4.3Å; N113-K115 VanDerWaalsContact C-N 3.25Å; N113-K115 PolarHBondContact O-N 3.04Å; N113-K115 VanDerWaalsContact O-N 3.13Å; K115-N119 WeakPolarHBondContact O-CB 3.4Å; K115-N119 VanDerWaalsContact O-CG 3.29Å; K115-N119 PolarHBondContact O-N 2.91Å; K115-N119 PolarHBondContact O-ND2 2.99Å
116	I	85.4	Confident	87.4	Confident	84 Å²	84	65.6 Å²	65.6	43%	0.431	35%	0.35	S	S	.	.	H	α-helix	trans	-71.6	-49.5	178.1	-60.2	173.8	0	0	0	109	N113 A114 F118 N119 K120	N113-I116 PolarHBondContact O-N 3.43Å; A114-I116 VanDerWaalsContact C-N 3.32Å; A114-I116 PolarHBondContact O-N 2.76Å; I116-F118 VanDerWaalsContact C-N 3.34Å; I116-F118 PolarHBondContact O-N 2.66Å; I116-N119 PolarHBondContact O-N 3.32Å; I116-K120 PolarHBondContact O-N 2.99Å
117	G	88.5	Confident	87.7	Confident	0 Å²	0	63 Å²	63	0%	0	33%	0.332	C	S	.	.	H	α-helix	trans	-58.6	-43.2	178.1	0	0	0	0	0	112.7	H90 E91 N113 A114 K120 A121	H90-G117 VanDerWaalsContact C-CA 3.43Å; E91-G117 WeakPolarHBondContact CA-O 3.44Å; E91-G117 WeakPolarHBondContact CB-O 3.39Å; N113-G117 PolarHBondContact O-N 3.15Å; A114-G117 PolarHBondContact O-N 3Å; G117-K120 PolarHBondContact O-N 3.41Å; G117-A121 WeakPolarHBondContact O-CB 3.12Å; G117-A121 PolarHBondContact O-N 2.89Å
118	F	90.3	Very high	87.8	Confident	22 Å²	22	62.7 Å²	62.7	10%	0.096	33%	0.327	C	S	.	.	H	α-helix	trans	-63.8	-47	179.6	-178.9	-94.5	0	0	0	111.7	I94 L105 A114 I116 K120 A121 M122 I127 L129 V139	I94-F118 HydrophobicContact CG2-CD2 4.48Å; L105-F118 HydrophobicContact CD1-CD2 3.9Å; L105-F118 HydrophobicContact CD1-CE1 4.44Å; L105-F118 HydrophobicContact CD1-CE2 3.53Å; L105-F118 HydrophobicContact CD1-CZ 3.83Å; A114-F118 WeakPolarHBondContact O-CB 3.48Å; A114-F118 PolarHBondContact O-N 2.81Å; I116-F118 VanDerWaalsContact C-N 3.34Å; I116-F118 PolarHBondContact O-N 2.66Å; F118-K120 PolarHBondContact O-N 2.76Å; F118-A121 PolarHBondContact O-N 3.44Å; F118-M122 HydrophobicContact CD1-CG 4.3Å; F118-M122 HydrophobicContact CE1-CG 3.87Å; F118-M122 HydrophobicContact CE2-CG 4.4Å; F118-M122 HydrophobicContact CZ-CG 3.92Å; F118-M122 HydrophobicContact CZ-SD 4.38Å; F118-M122 WeakPolarHBondContact O-CB 3.46Å; F118-M122 WeakPolarHBondContact O-CG 3.28Å; F118-M122 PolarHBondContact O-N 2.92Å; F118-I127 HydrophobicContact CD2-CD1 3.58Å; F118-I127 HydrophobicContact CE2-CD1 3.65Å; F118-I127 HydrophobicContact CG-CD1 4.36Å; F118-I127 HydrophobicContact CZ-CD1 4.5Å; F118-L129 HydrophobicContact CZ-CD1 4.32Å; F118-V139 HydrophobicContact CE2-CG1 4.13Å; F118-V139 HydrophobicContact CE2-CG2 3.67Å; F118-V139 HydrophobicContact CZ-CG2 4.4Å
119	N	89.6	Confident	88	Confident	88 Å²	88	65 Å²	65	47%	0.471	34%	0.339	S	S	.	.	H	α-helix	trans	-64.4	-40.9	178.3	-74.2	-19.7	0	0	0	112	K115 I116 S123	K115-N119 WeakPolarHBondContact O-CB 3.4Å; K115-N119 VanDerWaalsContact O-CG 3.29Å; K115-N119 PolarHBondContact O-N 2.91Å; K115-N119 PolarHBondContact O-ND2 2.99Å; I116-N119 PolarHBondContact O-N 3.32Å; N119-S123 WeakPolarHBondContact O-CB 3.45Å; N119-S123 PolarHBondContact O-N 2.49Å; N119-S123 PolarHBondContact O-OG 3.36Å
120	K	88.1	Confident	87.9	Confident	62 Å²	62	62.9 Å²	62.9	27%	0.27	33%	0.329	S	S	.	.	H	α-helix	trans	-70	-41.2	176.9	-76.7	-131.3	178.3	-165.8	0	112	E91 I116 G117 F118 M122 S123 A124 D172	E91-K120 HydrophobicContact CB-CB 3.88Å; E91-K120 HydrophobicContact CG-CB 4.21Å; I116-K120 PolarHBondContact O-N 2.99Å; G117-K120 PolarHBondContact O-N 3.41Å; F118-K120 PolarHBondContact O-N 2.76Å; K120-M122 PolarHBondContact O-N 3.47Å; K120-S123 PolarHBondContact O-N 2.92Å; K120-A124 VanDerWaalsContact O-CB 3.31Å; K120-A124 WeakPolarHBondContact O-CB 3.44Å; K120-A124 PolarHBondContact O-N 3.22Å; K120-D172 IonicContact NZ-OD1 3.45Å; K120-D172 IonicContact NZ-OD2 2.68Å; K120-D172 PolarHBondContact NZ-OD2 2.89Å; K120-D172 VanDerWaalsContact NZ-OD2 3.09Å
121	A	90.2	Very high	87.7	Confident	0 Å²	0	61.9 Å²	61.9	0%	0	33%	0.325	C	S	.	.	H	α-helix	trans	-63.7	-38.5	175	0	0	0	0	0	112.3	E91 I94 G117 F118 G125 W126 I127	E91-A121 HydrophobicContact CB-CB 3.94Å; I94-A121 HydrophobicContact CG2-CB 4.42Å; G117-A121 WeakPolarHBondContact O-CB 3.12Å; G117-A121 PolarHBondContact O-N 2.89Å; F118-A121 PolarHBondContact O-N 3.44Å; A121-G125 PolarHBondContact O-N 3.36Å; A121-W126 HydrophobicContact CB-CB 4.49Å; A121-W126 HydrophobicContact CB-CE3 4.42Å; A121-W126 PolarHBondContact O-N 3.12Å; A121-I127 HydrophobicContact CB-CD1 3.68Å; A121-I127 HydrophobicContact CB-CG1 3.83Å
122	M	90.9	Very high	86.9	Confident	77 Å²	77	69.2 Å²	69.2	38%	0.379	36%	0.355	S	S	.	.	H	α-helix	trans	-64	-45.3	171.5	-81.6	-71.9	-70.3	0	0	111.5	F118 K120 A124 G125 I127 L129	F118-M122 HydrophobicContact CD1-CG 4.3Å; F118-M122 HydrophobicContact CE1-CG 3.87Å; F118-M122 HydrophobicContact CE2-CG 4.4Å; F118-M122 HydrophobicContact CZ-CG 3.92Å; F118-M122 HydrophobicContact CZ-SD 4.38Å; F118-M122 WeakPolarHBondContact O-CB 3.46Å; F118-M122 WeakPolarHBondContact O-CG 3.28Å; F118-M122 PolarHBondContact O-N 2.92Å; K120-M122 PolarHBondContact O-N 3.47Å; M122-A124 VanDerWaalsContact C-N 3.34Å; M122-A124 PolarHBondContact O-N 3.12Å; M122-G125 PolarHBondContact O-N 3.48Å; M122-G125 VanDerWaalsContact O-N 3.09Å; M122-I127 HydrophobicContact CG-CD1 3.94Å; M122-I127 HydrophobicContact CG-CG1 3.88Å; M122-I127 HydrophobicContact SD-CD1 4.42Å; M122-I127 HydrophobicContact SD-CG1 3.95Å; M122-L129 HydrophobicContact CE-CB 4.45Å; M122-L129 HydrophobicContact SD-CB 4.48Å
123	S	89	Confident	85.9	Confident	111 Å²	111	68.1 Å²	68.1	78%	0.776	35%	0.346	S	S	*	.	H	α-helix	trans	-67.2	-33.9	-179.7	-56.4	0	0	0	0	112.6	N119 K120 G125	N119-S123 WeakPolarHBondContact O-CB 3.45Å; N119-S123 PolarHBondContact O-N 2.49Å; N119-S123 PolarHBondContact O-OG 3.36Å; K120-S123 PolarHBondContact O-N 2.92Å; S123-G125 PolarHBondContact O-N 2.87Å
124	A	88.3	Confident	84.9	Confident	54 Å²	54	67.5 Å²	67.5	45%	0.446	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.6	-4.8	174.1	0	0	0	0	0	113.1	K120 M122 W126	K120-A124 VanDerWaalsContact O-CB 3.31Å; K120-A124 WeakPolarHBondContact O-CB 3.44Å; K120-A124 PolarHBondContact O-N 3.22Å; M122-A124 VanDerWaalsContact C-N 3.34Å; M122-A124 PolarHBondContact O-N 3.12Å; A124-W126 VanDerWaalsContact C-N 3.29Å; A124-W126 HydrophobicContact CB-CD2 3.93Å; A124-W126 HydrophobicContact CB-CG 3.99Å; A124-W126 HydrophobicContact CB-CZ2 4.28Å; A124-W126 VanDerWaalsContact O-CD1 3.27Å; A124-W126 PolarHBondContact O-N 3.16Å
125	G	89.1	Confident	84.2	Confident	20 Å²	20	73.9 Å²	73.9	21%	0.206	40%	0.4	C	S	.	.	T	Hydrogen-bonded Turn	trans	69.7	22.6	-179	0	0	0	0	0	114.1	A121 M122 S123 K142	A121-G125 PolarHBondContact O-N 3.36Å; M122-G125 PolarHBondContact O-N 3.48Å; M122-G125 VanDerWaalsContact O-N 3.09Å; S123-G125 PolarHBondContact O-N 2.87Å; G125-K142 WeakPolarHBondContact O-CB 3.45Å; G125-K142 WeakPolarHBondContact O-CD 3.25Å
126	W	91.9	Very high	84	Confident	38 Å²	38	70.1 Å²	70.1	14%	0.144	39%	0.385	C	S	.	.	S	Bend	trans	-81.1	-29.5	-178.7	-63.1	-7.6	0	0	0	112.9	E91 A92 W95 A121 A124 K142 V143 I146 D147	E91-W126 HydrophobicContact CB-CE3 4.09Å; E91-W126 HydrophobicContact CB-CZ3 3.73Å; E91-W126 HydrophobicContact CG-CE3 4.23Å; E91-W126 HydrophobicContact CG-CH2 3.83Å; E91-W126 HydrophobicContact CG-CZ3 3.4Å; E91-W126 VanDerWaalsContact CG-CZ3 3.4Å; A92-W126 HydrophobicContact CB-CZ3 4.21Å; W95-W126 HydrophobicContact CB-CE3 4.49Å; A121-W126 HydrophobicContact CB-CB 4.49Å; A121-W126 HydrophobicContact CB-CE3 4.42Å; A121-W126 PolarHBondContact O-N 3.12Å; A124-W126 VanDerWaalsContact C-N 3.29Å; A124-W126 HydrophobicContact CB-CD2 3.93Å; A124-W126 HydrophobicContact CB-CG 3.99Å; A124-W126 HydrophobicContact CB-CZ2 4.28Å; A124-W126 VanDerWaalsContact O-CD1 3.27Å; A124-W126 PolarHBondContact O-N 3.16Å; W126-K142 PolarHBondContact O-N 3.1Å; W126-V143 HydrophobicContact CB-CG2 4.36Å; W126-I146 HydrophobicContact CB-CG2 4.08Å; W126-I146 HydrophobicContact CD2-CB 4.1Å; W126-I146 HydrophobicContact CD2-CG2 3.62Å; W126-I146 HydrophobicContact CE3-CB 4.3Å; W126-I146 HydrophobicContact CE3-CD1 4.11Å; W126-I146 HydrophobicContact CE3-CG2 4Å; W126-I146 HydrophobicContact CG-CG2 3.65Å; W126-I146 HydrophobicContact CH2-CB 4.49Å; W126-I146 HydrophobicContact CH2-CD1 4.49Å; W126-I146 HydrophobicContact CZ2-CB 4.29Å; W126-I146 HydrophobicContact CZ3-CB 4.48Å; W126-I146 HydrophobicContact CZ3-CD1 3.97Å; W126-D147 WeakPolarHBondContact CZ2-O 3.32Å
127	I	91.6	Very high	84	Confident	4 Å²	4	68.1 Å²	68.1	2%	0.021	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	158.4	-179	60.1	174.5	0	0	0	111	I94 V98 F118 A121 M122 V139 F140	I94-I127 HydrophobicContact CG2-CD1 3.95Å; V98-I127 HydrophobicContact CG2-CG2 4.11Å; F118-I127 HydrophobicContact CD2-CD1 3.58Å; F118-I127 HydrophobicContact CE2-CD1 3.65Å; F118-I127 HydrophobicContact CG-CD1 4.36Å; F118-I127 HydrophobicContact CZ-CD1 4.5Å; A121-I127 HydrophobicContact CB-CD1 3.68Å; A121-I127 HydrophobicContact CB-CG1 3.83Å; M122-I127 HydrophobicContact CG-CD1 3.94Å; M122-I127 HydrophobicContact CG-CG1 3.88Å; M122-I127 HydrophobicContact SD-CD1 4.42Å; M122-I127 HydrophobicContact SD-CG1 3.95Å; I127-V139 HydrophobicContact CB-CG1 3.87Å; I127-V139 HydrophobicContact CD1-CG1 3.93Å; I127-V139 HydrophobicContact CG1-CG1 4.36Å; I127-V139 HydrophobicContact CG2-CG1 4.29Å; I127-F140 CarbonylContact C-O 3.57Å; I127-F140 VanDerWaalsContact CA-O 3.28Å; I127-F140 WeakPolarHBondContact CA-O 3.38Å
128	R	91	Very high	84	Confident	121 Å²	121	70 Å²	70	46%	0.457	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	144.4	172.2	67.2	179.4	-176.7	101.3	1.8	110	V139 F140	R128-V139 CarbonylContact O-C 3.55Å; R128-V139 WeakPolarHBondContact O-CA 3.43Å; R128-F140 HydrophobicContact CG-CB 3.75Å; R128-F140 PolarHBondContact N-O 3.47Å; R128-F140 PolarHBondContact O-N 2.81Å
129	L	89.5	Confident	84	Confident	52 Å²	52	69 Å²	69	27%	0.272	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	123	177.4	-175.6	71.4	0	0	0	109.9	L105 F118 M122 K131 P137 V139	L105-L129 HydrophobicContact CD2-CD1 4.33Å; F118-L129 HydrophobicContact CZ-CD1 4.32Å; M122-L129 HydrophobicContact CE-CB 4.45Å; M122-L129 HydrophobicContact SD-CB 4.48Å; L129-K131 HydrophobicContact CD2-CG 4.13Å; L129-K131 HydrophobicContact CG-CG 4.28Å; L129-P137 HydrophobicContact CD1-CB 3.68Å; L129-P137 HydrophobicContact CG-CB 4.34Å; L129-V139 HydrophobicContact CD1-CG2 3.8Å
130	D	85.9	Confident	84	Confident	41 Å²	41	66.5 Å²	66.5	22%	0.219	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	122.7	168.6	-166.4	-4.7	0	0	0	109.8	K132 T133 P137 I138 F140	D130-K132 PolarHBondContact OD1-N 3.24Å; D130-T133 PolarHBondContact OD2-OG1 3.41Å; D130-P137 WeakPolarHBondContact O-CA 3.47Å; D130-I138 PolarHBondContact N-O 3.33Å; D130-I138 PolarHBondContact O-N 3.35Å; D130-F140 HydrophobicContact CB-CD2 4.23Å; D130-F140 HydrophobicContact CB-CE2 3.83Å
131	K	82.5	Confident	84.1	Confident	158 Å²	158	67.8 Å²	67.8	69%	0.687	37%	0.371	S	S	*	.	S	Bend	trans	-100.9	-3	178.4	-64	-175	-179	-178.5	0	112.7	L129	L129-K131 HydrophobicContact CD2-CG 4.13Å; L129-K131 HydrophobicContact CG-CG 4.28Å
132	K	67.3	Low	84.1	Confident	197 Å²	197	74.4 Å²	74.4	86%	0.857	40%	0.4	S	S	*	.	S	Bend	trans	-98.8	-11.8	-170.6	-66.2	-173.2	177.9	-176.5	0	114	D130	D130-K132 PolarHBondContact OD1-N 3.24Å
133	T	61.2	Low	84	Confident	81 Å²	81	73.1 Å²	73.1	50%	0.497	40%	0.396	S	S	.	.	S	Bend	trans	-99.8	29.6	-167.4	18.3	0	0	0	0	114.6	D130	D130-T133 PolarHBondContact OD2-OG1 3.41Å
134	G	62.8	Low	83.8	Confident	54 Å²	54	75.1 Å²	75.1	56%	0.557	40%	0.398	S	S	*	.	S	Bend	trans	147.9	-171.9	170.9	0	0	0	0	0	114.5	E136	G134-E136 PolarHBondContact O-N 3.1Å
135	S	69.4	Low	83.7	Confident	139 Å²	139	81.5 Å²	81.5	97%	0.972	42%	0.416	S	S	*	.	S	Bend	trans	-66.2	-15.9	175.5	48.7	0	0	0	0	113.5
136	E	82.2	Confident	83.7	Confident	70 Å²	70	82.5 Å²	82.5	33%	0.327	42%	0.416	S	S	.	.	S	Bend	trans	-129.8	138	179.1	-162.6	-177.8	165	0	0	111.5	S106 G134 I138	S106-E136 WeakPolarHBondContact CA-OE1 3.34Å; S106-E136 WeakPolarHBondContact CB-OE1 3.07Å; S106-E136 PolarHBondContact N-OE1 2.79Å; S106-E136 PolarHBondContact OG-OE1 2.94Å; S106-E136 PolarHBondContact OG-OE2 3.08Å; G134-E136 PolarHBondContact O-N 3.1Å; E136-I138 PolarHBondContact O-N 2.97Å
137	P	86	Confident	83.5	Confident	41 Å²	41	86 Å²	86	27%	0.266	44%	0.437	S	S	.	.			trans	-61.7	133.1	175.6	-20.4	31.6	0	0	0	112.3	L105 L129 D130	L105-P137 HydrophobicContact CB-CB 4.32Å; L105-P137 WeakPolarHBondContact CB-O 3.24Å; L105-P137 HydrophobicContact CD2-CB 4.28Å; L105-P137 HydrophobicContact CD2-CG 4.46Å; L105-P137 PolarHBondContact N-O 3.34Å; L129-P137 HydrophobicContact CD1-CB 3.68Å; L129-P137 HydrophobicContact CG-CB 4.34Å; D130-P137 WeakPolarHBondContact O-CA 3.47Å
138	I	88.4	Confident	83.3	Confident	41 Å²	41	86.3 Å²	86.3	21%	0.21	44%	0.439	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	132.7	179.1	-55.8	178.6	0	0	0	109.4	D130 E136 F140	D130-I138 PolarHBondContact N-O 3.33Å; D130-I138 PolarHBondContact O-N 3.35Å; E136-I138 PolarHBondContact O-N 2.97Å; I138-F140 HydrophobicContact CB-CE2 3.89Å; I138-F140 HydrophobicContact CB-CZ 4.26Å; I138-F140 HydrophobicContact CG2-CD2 4.16Å; I138-F140 HydrophobicContact CG2-CE1 4.26Å; I138-F140 HydrophobicContact CG2-CE2 3.55Å; I138-F140 HydrophobicContact CG2-CZ 3.6Å
139	V	89.6	Confident	83.2	Confident	0 Å²	0	83 Å²	83	0%	0	44%	0.438	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	131.6	176.6	-173.6	0	0	0	0	108.8	V98 G102 T103 L105 L108 F118 I127 R128 L129	V98-V139 VanDerWaalsContact CG1-O 3.22Å; V98-V139 WeakPolarHBondContact CG1-O 3.31Å; V98-V139 HydrophobicContact CG2-CG1 3.99Å; G102-V139 CarbonylContact C-O 3.56Å; G102-V139 VanDerWaalsContact CA-O 3.23Å; G102-V139 WeakPolarHBondContact CA-O 3.34Å; T103-V139 PolarHBondContact N-O 2.88Å; T103-V139 PolarHBondContact O-N 2.96Å; L105-V139 HydrophobicContact CB-CG2 4.21Å; L105-V139 HydrophobicContact CD1-CG2 3.8Å; L108-V139 HydrophobicContact CD1-CB 3.69Å; L108-V139 HydrophobicContact CD1-CG1 4.07Å; L108-V139 HydrophobicContact CD1-CG2 3.74Å; F118-V139 HydrophobicContact CE2-CG1 4.13Å; F118-V139 HydrophobicContact CE2-CG2 3.67Å; F118-V139 HydrophobicContact CZ-CG2 4.4Å; I127-V139 HydrophobicContact CB-CG1 3.87Å; I127-V139 HydrophobicContact CD1-CG1 3.93Å; I127-V139 HydrophobicContact CG1-CG1 4.36Å; I127-V139 HydrophobicContact CG2-CG1 4.29Å; R128-V139 CarbonylContact O-C 3.55Å; R128-V139 WeakPolarHBondContact O-CA 3.43Å; L129-V139 HydrophobicContact CD1-CG2 3.8Å
140	F	89.4	Confident	83.1	Confident	36 Å²	36	81.6 Å²	81.6	16%	0.158	43%	0.431	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	151	175.5	-62.9	-92.5	0	0	0	110.5	N101 I127 R128 D130 I138	N101-F140 VanDerWaalsContact O-CE1 3.28Å; N101-F140 WeakPolarHBondContact O-CE1 3.37Å; I127-F140 CarbonylContact C-O 3.57Å; I127-F140 VanDerWaalsContact CA-O 3.28Å; I127-F140 WeakPolarHBondContact CA-O 3.38Å; R128-F140 HydrophobicContact CG-CB 3.75Å; R128-F140 PolarHBondContact N-O 3.47Å; R128-F140 PolarHBondContact O-N 2.81Å; D130-F140 HydrophobicContact CB-CD2 4.23Å; D130-F140 HydrophobicContact CB-CE2 3.83Å; I138-F140 HydrophobicContact CB-CE2 3.89Å; I138-F140 HydrophobicContact CB-CZ 4.26Å; I138-F140 HydrophobicContact CG2-CD2 4.16Å; I138-F140 HydrophobicContact CG2-CE1 4.26Å; I138-F140 HydrophobicContact CG2-CE2 3.55Å; I138-F140 HydrophobicContact CG2-CZ 3.6Å
141	R	91	Very high	83.4	Confident	88 Å²	88	81.4 Å²	81.4	33%	0.332	43%	0.429	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67	136.2	166.6	-65	-175.8	178	162.7	9.9	109.3	W95 K96 V98	W95-R141 PolarHBondContact O-NE 2.74Å; W95-R141 PolarHBondContact O-NH2 3.24Å; W95-R141 VanDerWaalsContact O-NH2 3.16Å; K96-R141 PolarHBondContact O-NH2 3.37Å; V98-R141 HydrophobicContact CB-CG 3.87Å; V98-R141 HydrophobicContact CG1-CG 3.93Å; V98-R141 PolarHBondContact O-NE 3.12Å; V98-R141 PolarHBondContact O-NH2 3.14Å
142	K	89.2	Confident	83.6	Confident	140 Å²	140	79.2 Å²	79.2	61%	0.609	42%	0.421	S	S	*	.	S	Bend	trans	-98	-22.8	174.5	-173.8	175.2	174.1	-168.8	0	111.9	G125 W126	G125-K142 WeakPolarHBondContact O-CB 3.45Å; G125-K142 WeakPolarHBondContact O-CD 3.25Å; W126-K142 PolarHBondContact O-N 3.1Å
143	V	88.8	Confident	84.6	Confident	50 Å²	50	71 Å²	71	30%	0.303	39%	0.387	S	S	.	.			trans	-130.5	147.6	179	-60.3	0	0	0	0	110.3	W95 W126 K145 I146	W95-V143 VanDerWaalsContact CZ2-O 3.32Å; W95-V143 WeakPolarHBondContact CZ2-O 3.47Å; W95-V143 PolarHBondContact NE1-O 3.3Å; W126-V143 HydrophobicContact CB-CG2 4.36Å; V143-K145 WeakPolarHBondContact CG2-O 3.37Å; V143-I146 HydrophobicContact CG2-CG2 3.75Å
144	D	84.7	Confident	85.9	Confident	153 Å²	153	67.1 Å²	67.1	82%	0.818	36%	0.364	S	S	*	.	S	Bend	trans	-83	-21.5	-179.4	-63.3	-36	0	0	0	113.5	W95	W95-D144 VanDerWaalsContact CH2-O 3.28Å; W95-D144 WeakPolarHBondContact CH2-O 3.49Å; W95-D144 VanDerWaalsContact CZ2-O 3.27Å; W95-D144 WeakPolarHBondContact CZ2-O 3.38Å
145	K	87	Confident	87.1	Confident	188 Å²	188	67 Å²	67	82%	0.817	35%	0.35	S	S	*	.			trans	-136.8	141.8	176.7	-67.8	-175.8	-179.8	179.1	0	110	V143	V143-K145 WeakPolarHBondContact CG2-O 3.37Å
146	I	88.2	Confident	88	Confident	40 Å²	40	63.6 Å²	63.6	21%	0.205	32%	0.321	C	S	.	.			trans	-118.8	151.7	175.4	59	167.6	0	0	0	109.7	A92 W95 W126 V143	A92-I146 HydrophobicContact CB-CD1 3.61Å; W95-I146 HydrophobicContact CB-CD1 4.06Å; W95-I146 HydrophobicContact CD2-CB 4.49Å; W95-I146 HydrophobicContact CD2-CD1 3.86Å; W95-I146 HydrophobicContact CD2-CG1 4.03Å; W95-I146 HydrophobicContact CD2-CG2 3.66Å; W95-I146 HydrophobicContact CE3-CD1 3.59Å; W95-I146 HydrophobicContact CE3-CG1 3.77Å; W95-I146 HydrophobicContact CE3-CG2 4.29Å; W95-I146 HydrophobicContact CG-CD1 4.09Å; W95-I146 HydrophobicContact CG-CG2 3.75Å; W95-I146 HydrophobicContact CZ2-CG2 4.27Å; W95-I146 HydrophobicContact CZ3-CD1 4.33Å; W95-I146 HydrophobicContact CZ3-CG1 4.09Å; W126-I146 HydrophobicContact CB-CG2 4.08Å; W126-I146 HydrophobicContact CD2-CB 4.1Å; W126-I146 HydrophobicContact CD2-CG2 3.62Å; W126-I146 HydrophobicContact CE3-CB 4.3Å; W126-I146 HydrophobicContact CE3-CD1 4.11Å; W126-I146 HydrophobicContact CE3-CG2 4Å; W126-I146 HydrophobicContact CG-CG2 3.65Å; W126-I146 HydrophobicContact CH2-CB 4.49Å; W126-I146 HydrophobicContact CH2-CD1 4.49Å; W126-I146 HydrophobicContact CZ2-CB 4.29Å; W126-I146 HydrophobicContact CZ3-CB 4.48Å; W126-I146 HydrophobicContact CZ3-CD1 3.97Å; V143-I146 HydrophobicContact CG2-CG2 3.75Å
147	D	88.2	Confident	88.1	Confident	112 Å²	112	60.8 Å²	60.8	60%	0.599	31%	0.307	S	S	*	.			trans	-108.5	110.3	169.4	178.7	18.2	0	0	0	108.4	W126 A149 H152	W126-D147 WeakPolarHBondContact CZ2-O 3.32Å; D147-A149 PolarHBondContact O-N 2.86Å; D147-H152 IonicContact OD1-CD2 3.92Å; D147-H152 IonicContact OD1-NE2 2.72Å
148	D	88	Confident	87.9	Confident	10 Å²	10	62 Å²	62	5%	0.053	32%	0.317	C	S	.	.			trans	-85.7	68.3	-179.2	-168	-6.3	0	0	0	110.7	G88 S89 A92 V150 Q151 H152	G88-D148 WeakPolarHBondContact CA-OD2 3.27Å; S89-D148 WeakPolarHBondContact CB-OD1 3.4Å; S89-D148 PolarHBondContact N-OD2 3Å; S89-D148 PolarHBondContact OG-OD1 3.13Å; S89-D148 PolarHBondContact OG-OD2 3.4Å; S89-D148 VanDerWaalsContact OG-OD2 3.08Å; A92-D148 HydrophobicContact CB-CB 4.15Å; A92-D148 WeakPolarHBondContact CB-OD2 3.42Å; D148-V150 PolarHBondContact O-N 3.46Å; D148-Q151 HydrophobicContact CB-CB 4.11Å; D148-Q151 PolarHBondContact O-N 3.15Å; D148-Q151 VanDerWaalsContact O-N 3.11Å; D148-Q151 PolarHBondContact OD1-N 3.27Å; D148-Q151 VanDerWaalsContact OD2-CB 3.31Å; D148-Q151 WeakPolarHBondContact OD2-CB 3.47Å; D148-H152 PolarHBondContact O-CD2 2.88Å; D148-H152 PolarHBondContact O-N 2.79Å
149	A	87.9	Confident	87.6	Confident	52 Å²	52	67.1 Å²	67.1	43%	0.43	34%	0.338	S	S	.	.	H	α-helix	trans	-54.4	-28.4	-179.8	0	0	0	0	0	112.8	D147 T153	D147-A149 PolarHBondContact O-N 2.86Å; A149-T153 WeakPolarHBondContact O-CB 3.17Å; A149-T153 PolarHBondContact O-N 2.98Å; A149-T153 PolarHBondContact O-OG1 3.35Å
150	V	88.4	Confident	87	Confident	23 Å²	23	75.1 Å²	75.1	14%	0.139	38%	0.377	C	S	.	.	H	α-helix	trans	-71.9	-47.7	180	174.7	0	0	0	0	110.4	V84 D148 H152 T153 L154 L173 L178	V84-V150 HydrophobicContact CG1-CG1 4.28Å; D148-V150 PolarHBondContact O-N 3.46Å; V150-H152 VanDerWaalsContact C-N 3.34Å; V150-T153 PolarHBondContact O-N 2.83Å; V150-L154 HydrophobicContact CG1-CD1 4.04Å; V150-L154 WeakPolarHBondContact O-CG 3.29Å; V150-L154 PolarHBondContact O-N 2.98Å; V150-L173 HydrophobicContact CG1-CD2 4.11Å; V150-L178 HydrophobicContact CG1-CD1 4.11Å
151	Q	90.6	Very high	86.6	Confident	37 Å²	37	79.1 Å²	79.1	17%	0.173	40%	0.396	C	S	.	.	H	α-helix	trans	-61.2	-44	173.5	-176.6	-179.3	29.4	0	0	111.1	A85 G88 D148 T153 L154 N155	A85-Q151 WeakPolarHBondContact O-CG 3.22Å; A85-Q151 PolarHBondContact O-NE2 3.29Å; G88-Q151 VanDerWaalsContact CA-CD 3.49Å; D148-Q151 HydrophobicContact CB-CB 4.11Å; D148-Q151 PolarHBondContact O-N 3.15Å; D148-Q151 VanDerWaalsContact O-N 3.11Å; D148-Q151 PolarHBondContact OD1-N 3.27Å; D148-Q151 VanDerWaalsContact OD2-CB 3.31Å; D148-Q151 WeakPolarHBondContact OD2-CB 3.47Å; Q151-T153 VanDerWaalsContact C-N 3.31Å; Q151-T153 PolarHBondContact O-N 3.27Å; Q151-L154 PolarHBondContact O-N 3.47Å; Q151-N155 WeakPolarHBondContact O-CB 3.48Å; Q151-N155 PolarHBondContact O-N 3.1Å; Q151-N155 PolarHBondContact O-ND2 3.2Å
152	H	88.1	Confident	86	Confident	111 Å²	111	76.6 Å²	76.6	51%	0.514	39%	0.389	S	S	.	.	H	α-helix	trans	-58.2	-43.9	176.6	-74.8	-59.7	0	0	0	112	D147 D148 V150 N155 L156	D147-H152 IonicContact OD1-CD2 3.92Å; D147-H152 IonicContact OD1-NE2 2.72Å; D148-H152 PolarHBondContact O-CD2 2.88Å; D148-H152 PolarHBondContact O-N 2.79Å; V150-H152 VanDerWaalsContact C-N 3.34Å; H152-N155 PolarHBondContact O-N 3.35Å; H152-L156 PolarHBondContact O-N 3.08Å
153	T	87.9	Confident	85.3	Confident	25 Å²	25	77 Å²	77	15%	0.153	40%	0.398	C	S	.	.	H	α-helix	trans	-66.8	-43.9	178.4	-54.2	0	0	0	0	111.9	A149 V150 Q151 N155 L156 F157 I165 T169 L173	A149-T153 WeakPolarHBondContact O-CB 3.17Å; A149-T153 PolarHBondContact O-N 2.98Å; A149-T153 PolarHBondContact O-OG1 3.35Å; V150-T153 PolarHBondContact O-N 2.83Å; Q151-T153 VanDerWaalsContact C-N 3.31Å; Q151-T153 PolarHBondContact O-N 3.27Å; T153-N155 VanDerWaalsContact C-N 3.29Å; T153-N155 PolarHBondContact O-N 3.02Å; T153-L156 WeakPolarHBondContact O-CB 3.23Å; T153-L156 PolarHBondContact O-N 2.8Å; T153-L156 VanDerWaalsContact O-N 3.08Å; T153-F157 HydrophobicContact CG2-CD2 4.48Å; T153-F157 HydrophobicContact CG2-CE2 4.23Å; T153-F157 WeakPolarHBondContact O-CD2 3.41Å; T153-F157 PolarHBondContact O-N 3.47Å; T153-I165 HydrophobicContact CG2-CD1 3.8Å; T153-I165 HydrophobicContact CG2-CG1 4.25Å; T153-I165 HydrophobicContact CG2-CG2 3.82Å; T153-T169 HydrophobicContact CG2-CG2 3.85Å; T153-L173 HydrophobicContact CG2-CD1 3.72Å
154	L	88.8	Confident	84.8	Confident	0 Å²	0	82.4 Å²	82.4	0%	0	43%	0.425	C	S	.	.	H	α-helix	trans	-67.8	-30.4	178.8	-67.7	168.5	0	0	0	112.5	L77 V84 A85 V150 Q151 L156 F157 S158 L173 L178 I179	L77-L154 HydrophobicContact CD2-CB 4.12Å; L77-L154 HydrophobicContact CD2-CD2 3.34Å; L77-L154 HydrophobicContact CD2-CG 4.27Å; V84-L154 HydrophobicContact CB-CD1 3.87Å; V84-L154 HydrophobicContact CG1-CD1 3.38Å; A85-L154 HydrophobicContact CB-CB 3.93Å; V150-L154 HydrophobicContact CG1-CD1 4.04Å; V150-L154 WeakPolarHBondContact O-CG 3.29Å; V150-L154 PolarHBondContact O-N 2.98Å; Q151-L154 PolarHBondContact O-N 3.47Å; L154-L156 VanDerWaalsContact C-N 3.27Å; L154-L156 PolarHBondContact O-N 2.89Å; L154-F157 WeakPolarHBondContact O-CB 3.48Å; L154-F157 PolarHBondContact O-N 3.06Å; L154-F157 VanDerWaalsContact O-N 3.13Å; L154-S158 PolarHBondContact O-N 2.82Å; L154-S158 PolarHBondContact O-OG 2.98Å; L154-L173 HydrophobicContact CD2-CD1 4.02Å; L154-L173 HydrophobicContact CD2-CD2 4.13Å; L154-L173 HydrophobicContact CG-CD2 4.33Å; L154-L178 HydrophobicContact CD1-CB 4.28Å; L154-L178 HydrophobicContact CD1-CD1 4.05Å; L154-L178 HydrophobicContact CD2-CB 4Å; L154-I179 HydrophobicContact CD2-CG2 3.91Å
155	N	87.7	Confident	84.6	Confident	52 Å²	52	75.8 Å²	75.8	28%	0.278	39%	0.389	S	S	.	.	H	α-helix	trans	-66.3	-28.2	171	-80.9	-37.5	0	0	0	113.1	A85 Q151 H152 T153 S158 K159	A85-N155 PolarHBondContact O-ND2 3.26Å; A85-N155 PolarHBondContact O-OD1 3.09Å; Q151-N155 WeakPolarHBondContact O-CB 3.48Å; Q151-N155 PolarHBondContact O-N 3.1Å; Q151-N155 PolarHBondContact O-ND2 3.2Å; H152-N155 PolarHBondContact O-N 3.35Å; T153-N155 VanDerWaalsContact C-N 3.29Å; T153-N155 PolarHBondContact O-N 3.02Å; N155-S158 PolarHBondContact O-N 3.47Å; N155-K159 WeakPolarHBondContact O-CG 3.3Å; N155-K159 PolarHBondContact O-N 3.46Å; N155-K159 VanDerWaalsContact O-N 3.16Å
156	L	87.7	Confident	84.6	Confident	66 Å²	66	69.9 Å²	69.9	35%	0.346	37%	0.372	S	S	.	.	H	α-helix	trans	-69.1	-36.6	170.1	-65.8	172.5	0	0	0	111.5	H152 T153 L154 K159 M160 Q161 I165	H152-L156 PolarHBondContact O-N 3.08Å; T153-L156 WeakPolarHBondContact O-CB 3.23Å; T153-L156 PolarHBondContact O-N 2.8Å; T153-L156 VanDerWaalsContact O-N 3.08Å; L154-L156 VanDerWaalsContact C-N 3.27Å; L154-L156 PolarHBondContact O-N 2.89Å; L156-K159 CarbonylContact O-C 3.49Å; L156-K159 PolarHBondContact O-N 3.18Å; L156-M160 PolarHBondContact O-N 2.84Å; L156-M160 VanDerWaalsContact O-N 3.16Å; L156-Q161 HydrophobicContact CD2-CB 4.24Å; L156-Q161 PolarHBondContact O-N 2.9Å; L156-I165 HydrophobicContact CB-CD1 4.02Å; L156-I165 HydrophobicContact CD1-CD1 4.45Å; L156-I165 HydrophobicContact CD1-CG1 4.35Å
157	F	84.4	Confident	84.4	Confident	12 Å²	12	74 Å²	74	5%	0.053	40%	0.395	C	S	.	.	H	α-helix	trans	-61.4	-45.1	170.8	-82.2	-91.6	0	0	0	111.8	M75 L77 T153 L154 K159 M160 I162 I165 K170 L173 I179	M75-F157 HydrophobicContact CB-CE1 3.8Å; L77-F157 HydrophobicContact CD1-CB 4.1Å; L77-F157 HydrophobicContact CD2-CB 3.9Å; L77-F157 HydrophobicContact CD2-CG 4.47Å; L77-F157 HydrophobicContact CG-CB 3.89Å; T153-F157 HydrophobicContact CG2-CD2 4.48Å; T153-F157 HydrophobicContact CG2-CE2 4.23Å; T153-F157 WeakPolarHBondContact O-CD2 3.41Å; T153-F157 PolarHBondContact O-N 3.47Å; L154-F157 WeakPolarHBondContact O-CB 3.48Å; L154-F157 PolarHBondContact O-N 3.06Å; L154-F157 VanDerWaalsContact O-N 3.13Å; F157-K159 PolarHBondContact O-N 3.14Å; F157-M160 PolarHBondContact O-N 2.93Å; F157-I162 HydrophobicContact CB-CG1 4.46Å; F157-I162 HydrophobicContact CD1-CD1 3.43Å; F157-I162 VanDerWaalsContact CD1-CD1 3.43Å; F157-I162 HydrophobicContact CD1-CG1 3.67Å; F157-I162 HydrophobicContact CD1-CG2 4.25Å; F157-I162 HydrophobicContact CE1-CD1 3.86Å; F157-I162 HydrophobicContact CE1-CG1 4.01Å; F157-I162 HydrophobicContact CE1-CG2 3.69Å; F157-I162 HydrophobicContact CG-CD1 4.18Å; F157-I162 HydrophobicContact CG-CG1 4.02Å; F157-I162 HydrophobicContact CZ-CG2 3.89Å; F157-I165 HydrophobicContact CD2-CD1 3.67Å; F157-I165 HydrophobicContact CE2-CD1 3.41Å; F157-I165 VanDerWaalsContact CE2-CD1 3.41Å; F157-I165 HydrophobicContact CE2-CG2 4.44Å; F157-I165 HydrophobicContact CZ-CD1 4.13Å; F157-K170 HydrophobicContact CZ-CG 4.25Å; F157-L173 HydrophobicContact CD2-CD1 4.37Å; F157-L173 HydrophobicContact CE2-CD1 3.74Å; F157-I179 HydrophobicContact CD1-CG2 4.14Å; F157-I179 HydrophobicContact CD2-CG2 4.39Å; F157-I179 HydrophobicContact CE1-CD1 4.08Å; F157-I179 HydrophobicContact CE1-CG2 4.09Å; F157-I179 HydrophobicContact CE2-CD1 4.39Å; F157-I179 HydrophobicContact CE2-CG2 4.33Å; F157-I179 HydrophobicContact CG-CG2 4.31Å; F157-I179 HydrophobicContact CZ-CD1 3.69Å; F157-I179 HydrophobicContact CZ-CG2 4.18Å
158	S	82	Confident	84.3	Confident	67 Å²	67	76.1 Å²	76.1	47%	0.469	40%	0.401	S	S	.	.	H	α-helix	trans	-60.8	-29.2	176	-62.3	0	0	0	0	113.3	L77 L154 N155	L77-S158 WeakPolarHBondContact CD1-OG 3.12Å; L154-S158 PolarHBondContact O-N 2.82Å; L154-S158 PolarHBondContact O-OG 2.98Å; N155-S158 PolarHBondContact O-N 3.47Å
159	K	82.9	Confident	84.2	Confident	147 Å²	147	78 Å²	78	64%	0.639	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.2	5.1	178	-68.4	177.3	-178.4	-179.2	0	113.7	N155 L156 F157 Q161	N155-K159 WeakPolarHBondContact O-CG 3.3Å; N155-K159 PolarHBondContact O-N 3.46Å; N155-K159 VanDerWaalsContact O-N 3.16Å; L156-K159 CarbonylContact O-C 3.49Å; L156-K159 PolarHBondContact O-N 3.18Å; F157-K159 PolarHBondContact O-N 3.14Å; K159-Q161 HydrophobicContact CB-CG 4.41Å; K159-Q161 PolarHBondContact O-N 2.83Å
160	M	76.9	Confident	84.1	Confident	168 Å²	168	77.6 Å²	77.6	83%	0.828	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.4	26.2	-174.9	-54.5	-176.3	-173.7	0	0	114.3	L156 F157 I162	L156-M160 PolarHBondContact O-N 2.84Å; L156-M160 VanDerWaalsContact O-N 3.16Å; F157-M160 PolarHBondContact O-N 2.93Å; M160-I162 PolarHBondContact O-N 3.08Å
161	Q	79.7	Confident	84	Confident	121 Å²	121	79 Å²	79	57%	0.565	42%	0.416	S	S	*	.			trans	-101.3	60.5	178.4	-69.9	-179.8	-21.4	0	0	110.4	L156 K159	L156-Q161 HydrophobicContact CD2-CB 4.24Å; L156-Q161 PolarHBondContact O-N 2.9Å; K159-Q161 HydrophobicContact CB-CG 4.41Å; K159-Q161 PolarHBondContact O-N 2.83Å
162	I	78.4	Confident	83.8	Confident	34 Å²	34	80.3 Å²	80.3	17%	0.174	42%	0.424	C	S	.	.			trans	-93.6	-15.1	-167	-58.3	163.8	0	0	0	112.7	F157 M160 N164 I165	F157-I162 HydrophobicContact CB-CG1 4.46Å; F157-I162 HydrophobicContact CD1-CD1 3.43Å; F157-I162 VanDerWaalsContact CD1-CD1 3.43Å; F157-I162 HydrophobicContact CD1-CG1 3.67Å; F157-I162 HydrophobicContact CD1-CG2 4.25Å; F157-I162 HydrophobicContact CE1-CD1 3.86Å; F157-I162 HydrophobicContact CE1-CG1 4.01Å; F157-I162 HydrophobicContact CE1-CG2 3.69Å; F157-I162 HydrophobicContact CG-CD1 4.18Å; F157-I162 HydrophobicContact CG-CG1 4.02Å; F157-I162 HydrophobicContact CZ-CG2 3.89Å; M160-I162 PolarHBondContact O-N 3.08Å; I162-N164 VanDerWaalsContact C-N 3.27Å; I162-N164 PolarHBondContact O-N 3.24Å; I162-I165 HydrophobicContact CB-CD1 4.48Å; I162-I165 HydrophobicContact CG2-CD1 4.26Å; I162-I165 PolarHBondContact O-N 2.73Å; I162-I165 VanDerWaalsContact O-N 3.1Å
163	D	74.4	Confident	83.8	Confident	149 Å²	149	75.2 Å²	75.2	80%	0.797	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.7	-34.1	-169.9	-60	-25.3	0	0	0	113.3
164	N	78.3	Confident	83.8	Confident	164 Å²	164	78.5 Å²	78.5	88%	0.877	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.8	4.9	-177.6	-67.2	-26.1	0	0	0	114.1	I162	I162-N164 VanDerWaalsContact C-N 3.27Å; I162-N164 PolarHBondContact O-N 3.24Å
165	I	81.7	Confident	83.6	Confident	13 Å²	13	87.3 Å²	87.3	7%	0.067	45%	0.451	C	S	.	.	S	Bend	trans	-87.1	122.9	179	-56.3	174.6	0	0	0	109.2	T153 L156 F157 I162 T169 K170	T153-I165 HydrophobicContact CG2-CD1 3.8Å; T153-I165 HydrophobicContact CG2-CG1 4.25Å; T153-I165 HydrophobicContact CG2-CG2 3.82Å; L156-I165 HydrophobicContact CB-CD1 4.02Å; L156-I165 HydrophobicContact CD1-CD1 4.45Å; L156-I165 HydrophobicContact CD1-CG1 4.35Å; F157-I165 HydrophobicContact CD2-CD1 3.67Å; F157-I165 HydrophobicContact CE2-CD1 3.41Å; F157-I165 VanDerWaalsContact CE2-CD1 3.41Å; F157-I165 HydrophobicContact CE2-CG2 4.44Å; F157-I165 HydrophobicContact CZ-CD1 4.13Å; I162-I165 HydrophobicContact CB-CD1 4.48Å; I162-I165 HydrophobicContact CG2-CD1 4.26Å; I162-I165 PolarHBondContact O-N 2.73Å; I162-I165 VanDerWaalsContact O-N 3.1Å; I165-T169 HydrophobicContact CG2-CG2 3.99Å; I165-K170 HydrophobicContact CG2-CG 3.95Å; I165-K170 WeakPolarHBondContact O-CE 3.38Å; I165-K170 PolarHBondContact O-NZ 3.33Å
166	S	86	Confident	83.5	Confident	64 Å²	64	86.3 Å²	86.3	45%	0.448	44%	0.443	S	S	.	.			trans	-60.8	146.9	-179	84.5	0	0	0	0	112.7	Q168 T169 K170	S166-Q168 PolarHBondContact O-N 2.79Å; S166-T169 WeakPolarHBondContact O-CB 3.31Å; S166-T169 PolarHBondContact O-N 2.96Å; S166-T169 PolarHBondContact OG-N 2.77Å; S166-T169 PolarHBondContact OG-OG1 2.61Å; S166-K170 PolarHBondContact O-N 3.22Å
167	D	84.5	Confident	83.5	Confident	128 Å²	128	90.6 Å²	90.6	68%	0.684	46%	0.459	S	S	*	.	H	α-helix	trans	-60.7	-31.6	178.6	-68	-29.2	0	0	0	112.6	K170 A171	D167-K170 PolarHBondContact O-N 2.61Å; D167-A171 WeakPolarHBondContact O-CB 3.18Å; D167-A171 PolarHBondContact O-N 2.6Å
168	Q	86.1	Confident	83.7	Confident	155 Å²	155	90 Å²	90	72%	0.724	46%	0.456	S	S	*	.	H	α-helix	trans	-63.5	-41.8	174.2	-167.3	67.7	21.4	0	0	111.5	S166 A171 D172	S166-Q168 PolarHBondContact O-N 2.79Å; Q168-A171 PolarHBondContact O-N 3.05Å; Q168-D172 PolarHBondContact O-N 2.63Å
169	T	85.3	Confident	84.1	Confident	51 Å²	51	87 Å²	87	31%	0.313	44%	0.435	S	S	.	.	H	α-helix	trans	-66.5	-43.6	175.8	-49.2	0	0	0	0	110.8	T153 I165 S166 A171 D172 L173	T153-T169 HydrophobicContact CG2-CG2 3.85Å; I165-T169 HydrophobicContact CG2-CG2 3.99Å; S166-T169 WeakPolarHBondContact O-CB 3.31Å; S166-T169 PolarHBondContact O-N 2.96Å; S166-T169 PolarHBondContact OG-N 2.77Å; S166-T169 PolarHBondContact OG-OG1 2.61Å; T169-A171 VanDerWaalsContact C-N 3.31Å; T169-A171 PolarHBondContact O-N 2.67Å; T169-D172 PolarHBondContact O-N 3.44Å; T169-L173 HydrophobicContact CG2-CD1 4.38Å; T169-L173 WeakPolarHBondContact O-CG 3.32Å; T169-L173 PolarHBondContact O-N 3.03Å
170	K	85.8	Confident	84.4	Confident	43 Å²	43	84.5 Å²	84.5	19%	0.187	42%	0.422	C	S	.	.	H	α-helix	trans	-59.5	-42.4	174.8	-65.4	177.2	-179.2	159.7	0	111.2	F157 I165 S166 D167 L173 K174 I179	F157-K170 HydrophobicContact CZ-CG 4.25Å; I165-K170 HydrophobicContact CG2-CG 3.95Å; I165-K170 WeakPolarHBondContact O-CE 3.38Å; I165-K170 PolarHBondContact O-NZ 3.33Å; S166-K170 PolarHBondContact O-N 3.22Å; D167-K170 PolarHBondContact O-N 2.61Å; K170-L173 PolarHBondContact O-N 3.19Å; K170-K174 WeakPolarHBondContact O-CB 3.46Å; K170-K174 PolarHBondContact O-N 3.37Å; K170-I179 HydrophobicContact CB-CD1 4.42Å
171	A	86.5	Confident	84.9	Confident	53 Å²	53	79.7 Å²	79.7	44%	0.438	40%	0.397	S	S	.	.	H	α-helix	trans	-63.6	-42.5	177.2	0	0	0	0	0	112.6	D167 Q168 T169 K174 K175	D167-A171 WeakPolarHBondContact O-CB 3.18Å; D167-A171 PolarHBondContact O-N 2.6Å; Q168-A171 PolarHBondContact O-N 3.05Å; T169-A171 VanDerWaalsContact C-N 3.31Å; T169-A171 PolarHBondContact O-N 2.67Å; A171-K174 PolarHBondContact O-N 2.76Å; A171-K175 WeakPolarHBondContact O-CB 3.47Å; A171-K175 PolarHBondContact O-N 3.42Å
172	D	86.1	Confident	85.1	Confident	64 Å²	64	75.2 Å²	75.2	34%	0.342	38%	0.378	S	S	.	.	H	α-helix	trans	-64.1	-45.5	174.6	-171.7	59.8	0	0	0	111.2	K120 Q168 T169 K174 K175 R176	K120-D172 IonicContact NZ-OD1 3.45Å; K120-D172 IonicContact NZ-OD2 2.68Å; K120-D172 PolarHBondContact NZ-OD2 2.89Å; K120-D172 VanDerWaalsContact NZ-OD2 3.09Å; Q168-D172 PolarHBondContact O-N 2.63Å; T169-D172 PolarHBondContact O-N 3.44Å; D172-K174 VanDerWaalsContact C-N 3.34Å; D172-K174 PolarHBondContact O-N 3.43Å; D172-K175 PolarHBondContact O-N 3.17Å; D172-R176 WeakPolarHBondContact O-CB 3.49Å; D172-R176 VanDerWaalsContact O-CG 3.23Å; D172-R176 WeakPolarHBondContact O-CG 3.48Å; D172-R176 PolarHBondContact O-N 2.69Å; D172-R176 WeakPolarHBondContact OD2-CD 3.19Å
173	L	88.8	Confident	85.3	Confident	3 Å²	3	77 Å²	77	2%	0.016	39%	0.393	C	S	.	.	H	α-helix	trans	-62.4	-39.3	178	-68.1	178.3	0	0	0	112.5	V150 T153 L154 F157 T169 K170 R176 K177 L178 I179	V150-L173 HydrophobicContact CG1-CD2 4.11Å; T153-L173 HydrophobicContact CG2-CD1 3.72Å; L154-L173 HydrophobicContact CD2-CD1 4.02Å; L154-L173 HydrophobicContact CD2-CD2 4.13Å; L154-L173 HydrophobicContact CG-CD2 4.33Å; F157-L173 HydrophobicContact CD2-CD1 4.37Å; F157-L173 HydrophobicContact CE2-CD1 3.74Å; T169-L173 HydrophobicContact CG2-CD1 4.38Å; T169-L173 WeakPolarHBondContact O-CG 3.32Å; T169-L173 PolarHBondContact O-N 3.03Å; K170-L173 PolarHBondContact O-N 3.19Å; L173-R176 CarbonylContact O-C 3.53Å; L173-R176 PolarHBondContact O-N 3.43Å; L173-K177 PolarHBondContact O-N 3.33Å; L173-L178 HydrophobicContact CD2-CB 4.48Å; L173-L178 HydrophobicContact CD2-CD1 4.03Å; L173-L178 PolarHBondContact O-N 3.1Å; L173-I179 HydrophobicContact CB-CD1 3.72Å; L173-I179 HydrophobicContact CB-CG1 3.79Å; L173-I179 HydrophobicContact CB-CG2 4.45Å; L173-I179 HydrophobicContact CD1-CD1 4.48Å
174	K	87.5	Confident	85.8	Confident	95 Å²	95	76.7 Å²	76.7	41%	0.413	38%	0.381	S	S	.	.	H	α-helix	trans	-64.9	-43.1	174.4	-167.6	172	-175.2	172.6	0	110.8	K170 A171 D172 R176 K177 I179 E181	K170-K174 WeakPolarHBondContact O-CB 3.46Å; K170-K174 PolarHBondContact O-N 3.37Å; A171-K174 PolarHBondContact O-N 2.76Å; D172-K174 VanDerWaalsContact C-N 3.34Å; D172-K174 PolarHBondContact O-N 3.43Å; K174-R176 VanDerWaalsContact C-N 3.27Å; K174-R176 PolarHBondContact O-N 3.05Å; K174-K177 PolarHBondContact O-N 2.82Å; K174-I179 HydrophobicContact CB-CG1 4.16Å; K174-E181 IonicContact NZ-OE2 3.63Å; K174-E181 PolarHBondContact NZ-OE2 2.93Å
175	K	85.9	Confident	86.2	Confident	185 Å²	185	71.3 Å²	71.3	80%	0.804	36%	0.355	S	S	*	.	H	α-helix	trans	-64	-32.3	175.2	-170	176.4	-178.5	178.2	0	112.5	A171 D172 K177	A171-K175 WeakPolarHBondContact O-CB 3.47Å; A171-K175 PolarHBondContact O-N 3.42Å; D172-K175 PolarHBondContact O-N 3.17Å; K175-K177 PolarHBondContact O-N 2.88Å
176	R	85.2	Confident	86.6	Confident	31 Å²	31	71 Å²	71	12%	0.117	35%	0.353	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.2	-3	173.6	-68.9	176	72	146.8	6	114.1	E91 D172 L173 K174 L178	E91-R176 IonicContact OE1-CZ 2.72Å; E91-R176 IonicContact OE1-NH1 3.68Å; E91-R176 PolarHBondContact OE1-NH1 3.06Å; E91-R176 IonicContact OE1-NH2 3.77Å; E91-R176 PolarHBondContact OE1-NH2 3.45Å; E91-R176 VanDerWaalsContact OE1-NH2 3.16Å; E91-R176 IonicContact OE2-CZ 3.56Å; E91-R176 IonicContact OE2-NH1 3.91Å; E91-R176 IonicContact OE2-NH2 2.71Å; E91-R176 PolarHBondContact OE2-NH2 2.68Å; D172-R176 WeakPolarHBondContact O-CB 3.49Å; D172-R176 VanDerWaalsContact O-CG 3.23Å; D172-R176 WeakPolarHBondContact O-CG 3.48Å; D172-R176 PolarHBondContact O-N 2.69Å; D172-R176 WeakPolarHBondContact OD2-CD 3.19Å; L173-R176 CarbonylContact O-C 3.53Å; L173-R176 PolarHBondContact O-N 3.43Å; K174-R176 VanDerWaalsContact C-N 3.27Å; K174-R176 PolarHBondContact O-N 3.05Å; R176-L178 HydrophobicContact CB-CD1 3.8Å; R176-L178 HydrophobicContact CB-CG 3.86Å; R176-L178 VanDerWaalsContact NE-CD1 3.32Å; R176-L178 PolarHBondContact O-N 2.68Å
177	K	86.9	Confident	86.9	Confident	155 Å²	155	69.2 Å²	69.2	67%	0.674	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.1	29.9	-174.2	-52.6	-177.3	178.1	-176.4	0	114	T78 L173 K174 K175	T78-K177 WeakPolarHBondContact CB-O 3.48Å; T78-K177 VanDerWaalsContact CG2-O 3.23Å; T78-K177 WeakPolarHBondContact CG2-O 3.27Å; T78-K177 PolarHBondContact OG1-O 3.39Å; L173-K177 PolarHBondContact O-N 3.33Å; K174-K177 PolarHBondContact O-N 2.82Å; K175-K177 PolarHBondContact O-N 2.88Å
178	L	88.7	Confident	87.3	Confident	1 Å²	1	65.4 Å²	65.4	1%	0.005	32%	0.317	C	S	.	.	S	Bend	trans	-93.6	-20.9	177.8	-61.2	172.5	0	0	0	112.3	T78 E80 G81 V84 V150 L154 L173 R176	T78-L178 PolarHBondContact N-O 2.99Å; T78-L178 VanDerWaalsContact N-O 3.08Å; T78-L178 WeakPolarHBondContact OG1-CA 3.33Å; T78-L178 PolarHBondContact OG1-O 3.47Å; E80-L178 HydrophobicContact CB-CD2 4.47Å; E80-L178 HydrophobicContact CG-CD2 3.95Å; G81-L178 WeakPolarHBondContact CA-O 3.12Å; V84-L178 HydrophobicContact CB-CD2 4.28Å; V84-L178 HydrophobicContact CG2-CD2 3.83Å; V150-L178 HydrophobicContact CG1-CD1 4.11Å; L154-L178 HydrophobicContact CD1-CB 4.28Å; L154-L178 HydrophobicContact CD1-CD1 4.05Å; L154-L178 HydrophobicContact CD2-CB 4Å; L173-L178 HydrophobicContact CD2-CB 4.48Å; L173-L178 HydrophobicContact CD2-CD1 4.03Å; L173-L178 PolarHBondContact O-N 3.1Å; R176-L178 HydrophobicContact CB-CD1 3.8Å; R176-L178 HydrophobicContact CB-CG 3.86Å; R176-L178 VanDerWaalsContact NE-CD1 3.32Å; R176-L178 PolarHBondContact O-N 2.68Å
179	I	91.5	Very high	87.6	Confident	3 Å²	3	58 Å²	58	2%	0.015	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	155	172.9	63.2	176.1	0	0	0	109.8	M75 E76 L77 L154 F157 K170 L173 K174	M75-I179 HydrophobicContact SD-CD1 4.48Å; E76-I179 CarbonylContact O-C 3.59Å; E76-I179 VanDerWaalsContact O-CA 3.23Å; E76-I179 WeakPolarHBondContact O-CA 3.33Å; E76-I179 WeakPolarHBondContact O-CB 3.42Å; L77-I179 HydrophobicContact CD2-CG2 3.96Å; L154-I179 HydrophobicContact CD2-CG2 3.91Å; F157-I179 HydrophobicContact CD1-CG2 4.14Å; F157-I179 HydrophobicContact CD2-CG2 4.39Å; F157-I179 HydrophobicContact CE1-CD1 4.08Å; F157-I179 HydrophobicContact CE1-CG2 4.09Å; F157-I179 HydrophobicContact CE2-CD1 4.39Å; F157-I179 HydrophobicContact CE2-CG2 4.33Å; F157-I179 HydrophobicContact CG-CG2 4.31Å; F157-I179 HydrophobicContact CZ-CD1 3.69Å; F157-I179 HydrophobicContact CZ-CG2 4.18Å; K170-I179 HydrophobicContact CB-CD1 4.42Å; L173-I179 HydrophobicContact CB-CD1 3.72Å; L173-I179 HydrophobicContact CB-CG1 3.79Å; L173-I179 HydrophobicContact CB-CG2 4.45Å; L173-I179 HydrophobicContact CD1-CD1 4.48Å; K174-I179 HydrophobicContact CB-CG1 4.16Å
180	Y	88.5	Confident	87.9	Confident	95 Å²	95	57.6 Å²	57.6	37%	0.373	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	155.9	171.6	64.6	-79.3	0	0	0	110.6	M75 E76 L77 T78 V182	M75-Y180 CarbonylContact C-O 3.56Å; M75-Y180 WeakPolarHBondContact CA-O 3.3Å; E76-Y180 HydrophobicContact CB-CD1 4.39Å; E76-Y180 HydrophobicContact CB-CE1 3.81Å; E76-Y180 HydrophobicContact CB-CE2 4.11Å; E76-Y180 PolarHBondContact N-O 3.28Å; E76-Y180 WeakPolarHBondContact O-CD1 3.45Å; E76-Y180 PolarHBondContact O-N 3.08Å; E76-Y180 PolarHBondContact OE2-OH 2.83Å; L77-Y180 WeakPolarHBondContact O-CE1 3.24Å; T78-Y180 HydrophobicContact CG2-CD1 3.56Å; T78-Y180 HydrophobicContact CG2-CE1 4.31Å; T78-Y180 HydrophobicContact CG2-CG 4.42Å; Y180-V182 HydrophobicContact CD2-CG2 3.67Å; Y180-V182 HydrophobicContact CE2-CG2 3.23Å
181	E	87.4	Confident	88.1	Confident	66 Å²	66	60.3 Å²	60.3	31%	0.308	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	122.1	178.3	-170.1	176.5	124	0	0	108.5	K73 M75 K174	K73-E181 HydrophobicContact CB-CG 4.46Å; K73-E181 WeakPolarHBondContact CD-OE1 3.43Å; K73-E181 IonicContact NZ-OE1 3.56Å; K73-E181 PolarHBondContact NZ-OE1 2.91Å; M75-E181 HydrophobicContact CE-CB 3.78Å; M75-E181 HydrophobicContact CE-CG 3.81Å; M75-E181 WeakPolarHBondContact CE-OE2 3.46Å; M75-E181 HydrophobicContact SD-CB 3.61Å; M75-E181 HydrophobicContact SD-CG 4.06Å; K174-E181 IonicContact NZ-OE2 3.63Å; K174-E181 PolarHBondContact NZ-OE2 2.93Å
182	V	83.9	Confident	88.1	Confident	27 Å²	27	58.3 Å²	58.3	16%	0.164	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	115.6	171.4	-179.2	0	0	0	0	107.8	K73 H74 E76 Y180 R184	K73-V182 WeakPolarHBondContact CA-O 3.45Å; H74-V182 PolarHBondContact N-O 3.33Å; H74-V182 PolarHBondContact O-N 3.34Å; E76-V182 HydrophobicContact CB-CG2 4.29Å; E76-V182 HydrophobicContact CG-CG2 3.97Å; Y180-V182 HydrophobicContact CD2-CG2 3.67Å; Y180-V182 HydrophobicContact CE2-CG2 3.23Å; V182-R184 HydrophobicContact CG1-CG 4.25Å
183	S	83	Confident	88	Confident	71 Å²	71	62.4 Å²	62.4	50%	0.497	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	116.9	170.4	58.3	0	0	0	0	109.6	N72	N72-S183 CarbonylContact O-C 3.58Å; N72-S183 WeakPolarHBondContact O-CA 3.39Å
184	R	83.6	Confident	87.6	Confident	144 Å²	144	66.2 Å²	66.2	54%	0.543	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	116.9	169.5	-71.1	-174.6	-178.2	-176.9	2.3	109.2	N72 V182	N72-R184 PolarHBondContact N-O 2.88Å; N72-R184 PolarHBondContact O-N 2.69Å; V182-R184 HydrophobicContact CG1-CG 4.25Å
185	T	88	Confident	87.5	Confident	51 Å²	51	63.9 Å²	63.9	31%	0.313	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	120.8	174.8	-57.3	0	0	0	0	109	H48 Q69 V71 F187	H48-T185 PolarHBondContact CE1-O 3.25Å; Q69-T185 HydrophobicContact CG-CG2 3.42Å; Q69-T185 VanDerWaalsContact CG-CG2 3.42Å; V71-T185 HydrophobicContact CG2-CG2 4.23Å; T185-F187 HydrophobicContact CG2-CE2 4.08Å; T185-F187 HydrophobicContact CG2-CZ 3.97Å
186	T	90.5	Very high	87.3	Confident	6 Å²	6	57.2 Å²	57.2	4%	0.037	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	158.4	172	64.8	0	0	0	0	108.9	N36 M38 V70	N36-T186 PolarHBondContact ND2-OG1 3.38Å; N36-T186 WeakPolarHBondContact OD1-CB 3.36Å; M38-T186 HydrophobicContact CB-CG2 4.33Å; M38-T186 HydrophobicContact CG-CG2 3.35Å; V70-T186 CarbonylContact C-O 3.58Å; V70-T186 PolarHBondContact N-O 2.88Å; V70-T186 PolarHBondContact O-N 3.24Å; V70-T186 PolarHBondContact O-OG1 2.73Å
187	F	92.1	Very high	87.1	Confident	26 Å²	26	58 Å²	58	11%	0.114	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	138.1	175	-57.9	-96.4	0	0	0	109.9	N36 T37 V52 M55 E68 Q69 T185	N36-F187 WeakPolarHBondContact CA-O 3.14Å; T37-F187 HydrophobicContact CG2-CB 3.76Å; T37-F187 HydrophobicContact CG2-CD2 4.39Å; T37-F187 WeakPolarHBondContact CG2-O 3.32Å; T37-F187 PolarHBondContact N-O 3.38Å; T37-F187 PolarHBondContact OG1-N 3.45Å; T37-F187 PolarHBondContact OG1-O 3.13Å; V52-F187 HydrophobicContact CG1-CD2 4.42Å; V52-F187 HydrophobicContact CG1-CE2 3.91Å; V52-F187 HydrophobicContact CG2-CD2 4.09Å; V52-F187 HydrophobicContact CG2-CE2 4.15Å; M55-F187 HydrophobicContact CE-CB 4.38Å; M55-F187 HydrophobicContact CE-CD1 3.96Å; M55-F187 HydrophobicContact CE-CD2 3.91Å; M55-F187 HydrophobicContact CE-CE1 4.2Å; M55-F187 HydrophobicContact CE-CE2 4.17Å; M55-F187 HydrophobicContact CE-CG 3.82Å; M55-F187 HydrophobicContact CE-CZ 4.31Å; M55-F187 HydrophobicContact SD-CB 3.46Å; M55-F187 WeakPolarHBondContact SD-CB 3.45Å; M55-F187 HydrophobicContact SD-CD1 4.09Å; M55-F187 HydrophobicContact SD-CD2 3.93Å; M55-F187 HydrophobicContact SD-CG 3.56Å; M55-F187 VanDerWaalsContact SD-CG 3.56Å; E68-F187 CarbonylContact O-C 3.5Å; E68-F187 WeakPolarHBondContact O-CA 3.45Å; Q69-F187 HydrophobicContact CB-CD1 3.99Å; Q69-F187 HydrophobicContact CB-CE1 3.85Å; Q69-F187 HydrophobicContact CG-CD1 4.19Å; Q69-F187 HydrophobicContact CG-CE1 3.75Å; Q69-F187 HydrophobicContact CG-CZ 4.24Å; T185-F187 HydrophobicContact CG2-CE2 4.08Å; T185-F187 HydrophobicContact CG2-CZ 3.97Å
188	L	92.2	Very high	86.5	Confident	48 Å²	48	54.7 Å²	54.7	25%	0.251	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	120.7	171	-166.8	72.3	0	0	0	108	P34 T67 E68 V70	P34-L188 HydrophobicContact CB-CD1 3.67Å; P34-L188 HydrophobicContact CB-CD2 3.85Å; P34-L188 HydrophobicContact CB-CG 3.64Å; P34-L188 HydrophobicContact CG-CD1 4Å; P34-L188 HydrophobicContact CG-CD2 4.09Å; P34-L188 HydrophobicContact CG-CG 4.26Å; T67-L188 WeakPolarHBondContact CA-O 3.48Å; E68-L188 HydrophobicContact CB-CB 4.28Å; E68-L188 PolarHBondContact N-O 2.95Å; E68-L188 PolarHBondContact O-N 3.42Å; V70-L188 HydrophobicContact CG2-CB 4.4Å
189	L	92.1	Very high	85.6	Confident	0 Å²	0	56.8 Å²	56.8	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	135.7	-177.9	-53.8	180	0	0	0	109.6	I25 L29 P34 L35 T37 I40 M55 I65 T67	I25-L189 HydrophobicContact CG2-CD1 3.84Å; L29-L189 HydrophobicContact CD1-CB 3.87Å; L29-L189 WeakPolarHBondContact CD1-O 3.23Å; P34-L189 VanDerWaalsContact CA-O 3.3Å; P34-L189 WeakPolarHBondContact CA-O 3.3Å; L35-L189 PolarHBondContact N-O 3.18Å; L35-L189 PolarHBondContact O-N 3.39Å; T37-L189 HydrophobicContact CG2-CD1 4.35Å; T37-L189 HydrophobicContact CG2-CG 4.4Å; I40-L189 HydrophobicContact CD1-CD1 3.55Å; M55-L189 HydrophobicContact CG-CD2 3.52Å; M55-L189 HydrophobicContact SD-CD2 3.61Å; I65-L189 HydrophobicContact CD1-CD2 4.32Å; T67-L189 HydrophobicContact CG2-CD2 3.82Å
190	S	91	Very high	84.6	Confident	42 Å²	42	64 Å²	64	29%	0.294	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	158.8	172.8	52.1	0	0	0	0	110.2	K66 G192	K66-S190 VanDerWaalsContact CB-OG 3.28Å; K66-S190 WeakPolarHBondContact CB-OG 3.42Å; K66-S190 PolarHBondContact N-O 3.46Å; K66-S190 PolarHBondContact O-N 3.15Å; K66-S190 PolarHBondContact O-OG 3.28Å; S190-G192 PolarHBondContact O-N 2.81Å
191	R	90.6	Very high	83.7	Confident	100 Å²	100	67.4 Å²	67.4	38%	0.377	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.1	132.5	-177.9	-66.9	178.7	-70.4	-175.6	-0.9	110.8	L29 E33 F195	L29-R191 HydrophobicContact CD2-CG 4.11Å; L29-R191 HydrophobicContact CG-CG 3.97Å; E33-R191 VanDerWaalsContact CD-NE 3.27Å; E33-R191 VanDerWaalsContact CD-NH2 3.28Å; E33-R191 IonicContact OE1-CZ 2.78Å; E33-R191 IonicContact OE1-NE 3.85Å; E33-R191 PolarHBondContact OE1-NE 2.99Å; E33-R191 IonicContact OE1-NH2 3.74Å; E33-R191 PolarHBondContact OE1-NH2 2.85Å; E33-R191 WeakPolarHBondContact OE2-CG 3.39Å; E33-R191 IonicContact OE2-CZ 2.78Å; E33-R191 PolarHBondContact OE2-N 2.93Å; E33-R191 IonicContact OE2-NE 3.16Å; E33-R191 PolarHBondContact OE2-NE 3.17Å; E33-R191 IonicContact OE2-NH2 3.42Å; R191-F195 HydrophobicContact CB-CB 4.08Å; R191-F195 HydrophobicContact CB-CD1 4.42Å; R191-F195 HydrophobicContact CB-CD2 4.13Å; R191-F195 HydrophobicContact CB-CG 3.94Å; R191-F195 HydrophobicContact CG-CB 4.49Å; R191-F195 HydrophobicContact CG-CD1 3.96Å; R191-F195 HydrophobicContact CG-CD2 3.84Å; R191-F195 HydrophobicContact CG-CE1 4.09Å; R191-F195 HydrophobicContact CG-CE2 4Å; R191-F195 HydrophobicContact CG-CG 3.81Å; R191-F195 HydrophobicContact CG-CZ 4.1Å
192	G	86.9	Confident	83.2	Confident	11 Å²	11	66.3 Å²	66.3	11%	0.113	34%	0.341	C	S	.	.			trans	-79.2	179.7	172.4	0	0	0	0	0	112.3	N63 L64 S190 E194	N63-G192 CarbonylContact O-C 3.57Å; N63-G192 WeakPolarHBondContact O-CA 3.46Å; L64-G192 WeakPolarHBondContact O-CA 3.4Å; L64-G192 PolarHBondContact O-N 3.38Å; L64-G192 VanDerWaalsContact O-N 3.08Å; S190-G192 PolarHBondContact O-N 2.81Å; G192-E194 VanDerWaalsContact C-N 3.3Å
193	E	83.4	Confident	83.2	Confident	151 Å²	151	67.7 Å²	67.7	71%	0.706	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.6	-26.7	179.6	-69.3	173.9	-170.9	0	0	112.6	N63 K66	N63-E193 PolarHBondContact O-N 2.73Å; N63-E193 VanDerWaalsContact O-N 3.08Å; K66-E193 IonicContact NZ-OE1 3.48Å
194	E	81.4	Confident	83.2	Confident	83 Å²	83	69.9 Å²	69.9	39%	0.388	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.5	25.7	179.7	-56.3	-170	144.6	0	0	111.6	N63 L64 G192 S196 R220	N63-E194 HydrophobicContact CB-CG 4.43Å; N63-E194 PolarHBondContact O-N 3.46Å; N63-E194 VanDerWaalsContact O-N 3.08Å; L64-E194 VanDerWaalsContact CD1-O 3.32Å; L64-E194 WeakPolarHBondContact CD1-O 3.35Å; G192-E194 VanDerWaalsContact C-N 3.3Å; E194-S196 PolarHBondContact O-N 3.15Å; E194-R220 VanDerWaalsContact CD-NH2 3.27Å; E194-R220 IonicContact OE1-CZ 3.94Å; E194-R220 IonicContact OE1-NH1 3.83Å; E194-R220 IonicContact OE1-NH2 2.69Å; E194-R220 PolarHBondContact OE1-NH2 2.73Å; E194-R220 IonicContact OE2-CZ 2.7Å; E194-R220 IonicContact OE2-NH1 3.43Å; E194-R220 PolarHBondContact OE2-NH1 2.9Å; E194-R220 IonicContact OE2-NH2 3.33Å; E194-R220 PolarHBondContact OE2-NH2 2.96Å
195	F	83.9	Confident	83.4	Confident	46 Å²	46	68.7 Å²	68.7	20%	0.202	36%	0.361	C	S	.	.			trans	-55.5	126.7	-175.5	-178.9	-102	0	0	0	111.8	L26 L29 D30 L64 R191 T197	L26-F195 HydrophobicContact CD2-CD2 4.33Å; L26-F195 HydrophobicContact CD2-CE2 3.86Å; L26-F195 WeakPolarHBondContact O-CZ 3.46Å; L29-F195 HydrophobicContact CB-CE2 4.04Å; L29-F195 HydrophobicContact CB-CZ 4.2Å; L29-F195 HydrophobicContact CD2-CD2 4.24Å; L29-F195 HydrophobicContact CD2-CE2 3.76Å; L29-F195 HydrophobicContact CG-CE2 4.2Å; D30-F195 HydrophobicContact CB-CE1 3.85Å; D30-F195 HydrophobicContact CB-CZ 3.86Å; L64-F195 WeakPolarHBondContact O-CD2 3.29Å; R191-F195 HydrophobicContact CB-CB 4.08Å; R191-F195 HydrophobicContact CB-CD1 4.42Å; R191-F195 HydrophobicContact CB-CD2 4.13Å; R191-F195 HydrophobicContact CB-CG 3.94Å; R191-F195 HydrophobicContact CG-CB 4.49Å; R191-F195 HydrophobicContact CG-CD1 3.96Å; R191-F195 HydrophobicContact CG-CD2 3.84Å; R191-F195 HydrophobicContact CG-CE1 4.09Å; R191-F195 HydrophobicContact CG-CE2 4Å; R191-F195 HydrophobicContact CG-CG 3.81Å; R191-F195 HydrophobicContact CG-CZ 4.1Å; F195-T197 HydrophobicContact CE1-CG2 4.42Å
196	S	82.2	Confident	83.5	Confident	44 Å²	44	70.2 Å²	70.2	31%	0.308	37%	0.366	S	S	.	.			trans	-139.8	147.6	176.9	177	0	0	0	0	108.3	L26 E194 T198	L26-S196 WeakPolarHBondContact CD1-O 3.31Å; E194-S196 PolarHBondContact O-N 3.15Å; S196-T198 VanDerWaalsContact C-N 3.32Å; S196-T198 PolarHBondContact OG-N 2.83Å; S196-T198 PolarHBondContact OG-O 2.81Å; S196-T198 PolarHBondContact OG-OG1 2.84Å
197	T	80.6	Confident	83.5	Confident	47 Å²	47	72.5 Å²	72.5	29%	0.288	38%	0.381	S	S	.	.	S	Bend	trans	-82.7	-13.8	173.5	50.4	0	0	0	0	112.6	L27 D30 F195	L27-T197 HydrophobicContact CD2-CG2 4.14Å; D30-T197 HydrophobicContact CB-CG2 3.85Å; F195-T197 HydrophobicContact CE1-CG2 4.42Å
198	T	74.3	Confident	83.5	Confident	87 Å²	87	74.3 Å²	74.3	53%	0.534	40%	0.4	S	S	.	.	S	Bend	trans	-115.3	133.5	177.2	50	0	0	0	0	111.1	S196 E200	S196-T198 VanDerWaalsContact C-N 3.32Å; S196-T198 PolarHBondContact OG-N 2.83Å; S196-T198 PolarHBondContact OG-O 2.81Å; S196-T198 PolarHBondContact OG-OG1 2.84Å; T198-E200 PolarHBondContact O-N 2.92Å
199	L	70.6	Confident	83.3	Confident	45 Å²	45	77.9 Å²	77.9	24%	0.236	42%	0.415	C	S	.	.			trans	-84.7	107.8	173.6	-78.4	149.9	0	0	0	109.4	E23 L26 L58 H61 L64 K201	E23-L199 HydrophobicContact CG-CD1 4.23Å; L26-L199 HydrophobicContact CD1-CD1 4.22Å; L26-L199 HydrophobicContact CD1-CG 4.07Å; L58-L199 HydrophobicContact CD2-CD1 3.89Å; L58-L199 HydrophobicContact CD2-CD2 3.98Å; L58-L199 HydrophobicContact CD2-CG 4.32Å; H61-L199 HydrophobicContact CB-CD2 4.4Å; L64-L199 HydrophobicContact CD2-CD2 3.96Å; L199-K201 PolarHBondContact O-N 2.77Å
200	E	70.2	Confident	83.2	Confident	154 Å²	154	78.5 Å²	78.5	72%	0.72	42%	0.419	S	S	*	.			trans	-72.1	122.1	168.5	-71.2	-171.1	167.1	0	0	109.8	T198 A202	T198-E200 PolarHBondContact O-N 2.92Å; E200-A202 PolarHBondContact O-N 2.86Å; E200-A202 VanDerWaalsContact O-N 3.16Å
201	K	70.9	Confident	83.1	Confident	166 Å²	166	80.8 Å²	80.8	72%	0.722	43%	0.427	S	S	*	.			trans	-66.2	115.3	174.2	-70.7	-172.4	176.3	-169.9	0	109.3	E19 L199	E19-K201 IonicContact OE1-NZ 2.76Å; E19-K201 IonicContact OE2-NZ 3.74Å; L199-K201 PolarHBondContact O-N 2.77Å
202	A	77	Confident	83.2	Confident	43 Å²	43	82.4 Å²	82.4	36%	0.355	44%	0.442	S	S	.	.			trans	-67.8	137.7	173.2	0	0	0	0	0	110.2	E200 R220 K222	E200-A202 PolarHBondContact O-N 2.86Å; E200-A202 VanDerWaalsContact O-N 3.16Å; A202-R220 CarbonylContact C-O 3.25Å; A202-R220 VanDerWaalsContact CA-O 3.26Å; A202-R220 WeakPolarHBondContact CA-O 3.31Å; A202-R220 WeakPolarHBondContact CB-O 3.45Å; A202-K222 HydrophobicContact CB-CB 4.46Å
203	E	83.5	Confident	83.3	Confident	57 Å²	57	88.1 Å²	88.1	27%	0.266	47%	0.47	S	S	.	.	B	Isolated β-bridge	trans	-66.6	138.8	175.9	-65	-65.8	171.1	0	0	110.1	L210 K219 R220 F221 K222	E203-L210 HydrophobicContact CG-CD1 4.31Å; E203-K219 HydrophobicContact CG-CB 4.19Å; E203-K219 HydrophobicContact CG-CD 3.53Å; E203-K219 HydrophobicContact CG-CG 4.5Å; E203-K219 WeakPolarHBondContact OE1-CD 3.43Å; E203-K219 IonicContact OE1-NZ 3.09Å; E203-K219 PolarHBondContact OE1-NZ 2.87Å; E203-R220 PolarHBondContact N-O 3.23Å; E203-F221 HydrophobicContact CB-CD1 3.65Å; E203-F221 HydrophobicContact CB-CE1 3.68Å; E203-F221 HydrophobicContact CB-CG 4.42Å; E203-F221 HydrophobicContact CB-CZ 4.47Å; E203-F221 HydrophobicContact CG-CE1 4.49Å; E203-F221 CarbonylContact O-C 3.58Å; E203-F221 VanDerWaalsContact O-CA 3.27Å; E203-F221 WeakPolarHBondContact O-CA 3.46Å; E203-K222 PolarHBondContact O-N 2.82Å
204	T	83.1	Confident	83.5	Confident	117 Å²	117	84.6 Å²	84.6	72%	0.718	46%	0.456	S	S	*	.	S	Bend	trans	-83.7	-33.9	-177.6	47.6	0	0	0	0	112.9
205	D	87.4	Confident	83.7	Confident	118 Å²	118	82 Å²	82	63%	0.631	45%	0.449	S	S	*	.	S	Bend	trans	-146.2	161.2	-175.9	-146.8	-19.8	0	0	0	111.1
206	L	90.1	Very high	83.9	Confident	83 Å²	83	84.9 Å²	84.9	44%	0.435	46%	0.458	S	S	.	.			trans	-87	110	178	-175.2	67.1	0	0	0	109.7	L210 L211 W216 F221	L206-L210 HydrophobicContact CD1-CB 4.33Å; L206-L211 HydrophobicContact CD1-CD2 4.19Å; L206-L211 HydrophobicContact CD1-CG 4.23Å; L206-L211 HydrophobicContact CD2-CD1 4.29Å; L206-L211 HydrophobicContact CD2-CD2 4Å; L206-L211 HydrophobicContact CD2-CG 4.27Å; L206-L211 HydrophobicContact CG-CD1 4.38Å; L206-L211 HydrophobicContact CG-CD2 4.31Å; L206-L211 HydrophobicContact CG-CG 4.16Å; L206-W216 HydrophobicContact CD1-CB 3.68Å; L206-W216 HydrophobicContact CD1-CG 4.28Å; L206-F221 HydrophobicContact CD1-CE1 4.29Å; L206-F221 HydrophobicContact CD1-CZ 3.91Å
207	T	89.5	Confident	84.2	Confident	55 Å²	55	88.8 Å²	88.8	34%	0.337	47%	0.47	S	S	.	.			trans	-91.3	161.5	178	81.7	0	0	0	0	112.3	E209 L210 L211	T207-E209 VanDerWaalsContact C-N 3.26Å; T207-E209 WeakPolarHBondContact CB-OE2 3.23Å; T207-E209 PolarHBondContact O-N 2.87Å; T207-E209 PolarHBondContact OG1-OE2 2.91Å; T207-L210 PolarHBondContact O-N 2.92Å; T207-L210 PolarHBondContact OG1-N 2.53Å; T207-L211 PolarHBondContact O-N 3.43Å
208	A	92.3	Very high	84.4	Confident	63 Å²	63	95.8 Å²	95.8	52%	0.521	50%	0.496	S	S	.	.	H	α-helix	trans	-61.6	-35.1	178.2	0	0	0	0	0	112.2	L211 I212	A208-L211 WeakPolarHBondContact O-CB 3.19Å; A208-L211 PolarHBondContact O-N 3.14Å; A208-I212 WeakPolarHBondContact O-CG1 3.45Å; A208-I212 PolarHBondContact O-N 3.43Å
209	E	88.9	Confident	84.8	Confident	123 Å²	123	96 Å²	96	58%	0.575	49%	0.49	S	S	*	.	H	α-helix	trans	-66.5	-41.2	179.3	-57.8	74.1	-158.8	0	0	111.7	T207 L211 I212 D213	T207-E209 VanDerWaalsContact C-N 3.26Å; T207-E209 WeakPolarHBondContact CB-OE2 3.23Å; T207-E209 PolarHBondContact O-N 2.87Å; T207-E209 PolarHBondContact OG1-OE2 2.91Å; E209-L211 PolarHBondContact O-N 2.89Å; E209-I212 PolarHBondContact O-N 3.11Å; E209-D213 PolarHBondContact O-N 2.71Å
210	L	88.6	Confident	85.3	Confident	13 Å²	13	100.5 Å²	100.5	7%	0.068	50%	0.504	C	S	.	.	H	α-helix	trans	-61.7	-32.3	177.5	-70.1	177	0	0	0	112.3	E203 L206 T207 D214 A215 W216 K219 F221	E203-L210 HydrophobicContact CG-CD1 4.31Å; L206-L210 HydrophobicContact CD1-CB 4.33Å; T207-L210 PolarHBondContact O-N 2.92Å; T207-L210 PolarHBondContact OG1-N 2.53Å; L210-D214 PolarHBondContact O-N 3.38Å; L210-A215 HydrophobicContact CD2-CB 3.88Å; L210-A215 PolarHBondContact O-N 3.03Å; L210-A215 VanDerWaalsContact O-N 3.12Å; L210-W216 HydrophobicContact CB-CB 4.23Å; L210-W216 PolarHBondContact O-N 3.09Å; L210-K219 HydrophobicContact CD2-CD 3.9Å; L210-F221 HydrophobicContact CD1-CE1 4.12Å; L210-F221 HydrophobicContact CD1-CZ 4.13Å
211	L	90.7	Very high	85.9	Confident	91 Å²	91	96.7 Å²	96.7	48%	0.476	49%	0.485	S	S	.	.	H	α-helix	trans	-73.6	-38.1	176.7	-73.4	172.3	0	0	0	112.4	L206 T207 A208 E209	L206-L211 HydrophobicContact CD1-CD2 4.19Å; L206-L211 HydrophobicContact CD1-CG 4.23Å; L206-L211 HydrophobicContact CD2-CD1 4.29Å; L206-L211 HydrophobicContact CD2-CD2 4Å; L206-L211 HydrophobicContact CD2-CG 4.27Å; L206-L211 HydrophobicContact CG-CD1 4.38Å; L206-L211 HydrophobicContact CG-CD2 4.31Å; L206-L211 HydrophobicContact CG-CG 4.16Å; T207-L211 PolarHBondContact O-N 3.43Å; A208-L211 WeakPolarHBondContact O-CB 3.19Å; A208-L211 PolarHBondContact O-N 3.14Å; E209-L211 PolarHBondContact O-N 2.89Å
212	I	91.6	Very high	86.5	Confident	134 Å²	134	95.8 Å²	95.8	69%	0.687	48%	0.481	S	S	*	.	H	α-helix	trans	-65.2	-46	-178.7	-68.5	165.2	0	0	0	110.9	A208 E209 D214	A208-I212 WeakPolarHBondContact O-CG1 3.45Å; A208-I212 PolarHBondContact O-N 3.43Å; E209-I212 PolarHBondContact O-N 3.11Å; I212-D214 VanDerWaalsContact C-N 3.35Å
213	D	88.5	Confident	86.8	Confident	130 Å²	130	99.3 Å²	99.3	70%	0.695	50%	0.5	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.9	7.1	-174.8	-67	-21.2	0	0	0	113.6	E209 A215	E209-D213 PolarHBondContact O-N 2.71Å; D213-A215 PolarHBondContact O-N 3.47Å
214	D	87.4	Confident	86.9	Confident	77 Å²	77	104 Å²	104	41%	0.412	52%	0.517	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.7	16.2	-173.7	-96.7	-27.6	0	0	0	114.1	L210 I212 W216 K217	L210-D214 PolarHBondContact O-N 3.38Å; I212-D214 VanDerWaalsContact C-N 3.35Å; D214-W216 PolarHBondContact O-N 2.84Å; D214-W216 PolarHBondContact OD1-NE1 3.46Å; D214-K217 HydrophobicContact CB-CD 4.24Å; D214-K217 WeakPolarHBondContact O-CB 3.43Å; D214-K217 PolarHBondContact O-N 3.04Å; D214-K217 VanDerWaalsContact O-N 3.14Å; D214-K217 WeakPolarHBondContact OD1-CE 3.41Å; D214-K217 IonicContact OD1-NZ 2.63Å; D214-K217 PolarHBondContact OD1-NZ 3.05Å; D214-K217 IonicContact OD2-NZ 3.05Å; D214-K217 PolarHBondContact OD2-NZ 2.72Å
215	A	87	Confident	87.2	Confident	29 Å²	29	103.1 Å²	103.1	24%	0.24	51%	0.508	C	S	.	.	G	3₁₀ helix	trans	-64.5	-27.1	-177.2	0	0	0	0	0	112.5	L210 D213 K217 K218 K219	L210-A215 HydrophobicContact CD2-CB 3.88Å; L210-A215 PolarHBondContact O-N 3.03Å; L210-A215 VanDerWaalsContact O-N 3.12Å; D213-A215 PolarHBondContact O-N 3.47Å; A215-K217 PolarHBondContact O-N 2.89Å; A215-K217 VanDerWaalsContact O-N 3.14Å; A215-K218 PolarHBondContact O-N 2.9Å; A215-K219 PolarHBondContact O-N 3.07Å
216	W	88.2	Confident	87.3	Confident	107 Å²	107	106 Å²	106	41%	0.405	52%	0.515	S	S	.	.	G	3₁₀ helix	trans	-56.5	-26.3	174.6	73.6	-86.6	0	0	0	113.3	L206 L210 D214 K218 F221	L206-W216 HydrophobicContact CD1-CB 3.68Å; L206-W216 HydrophobicContact CD1-CG 4.28Å; L210-W216 HydrophobicContact CB-CB 4.23Å; L210-W216 PolarHBondContact O-N 3.09Å; D214-W216 PolarHBondContact O-N 2.84Å; D214-W216 PolarHBondContact OD1-NE1 3.46Å; W216-K218 VanDerWaalsContact C-N 3.27Å; W216-K218 PolarHBondContact O-N 3.25Å; W216-F221 HydrophobicContact CB-CE2 4.23Å; W216-F221 HydrophobicContact CB-CZ 3.99Å
217	K	87.6	Confident	87.4	Confident	125 Å²	125	111.6 Å²	111.6	54%	0.543	54%	0.535	S	S	.	.	G	3₁₀ helix	trans	-70	-23	178.2	-64.8	175.6	-179.9	163.4	0	113.3	D214 A215	D214-K217 HydrophobicContact CB-CD 4.24Å; D214-K217 WeakPolarHBondContact O-CB 3.43Å; D214-K217 PolarHBondContact O-N 3.04Å; D214-K217 VanDerWaalsContact O-N 3.14Å; D214-K217 WeakPolarHBondContact OD1-CE 3.41Å; D214-K217 IonicContact OD1-NZ 2.63Å; D214-K217 PolarHBondContact OD1-NZ 3.05Å; D214-K217 IonicContact OD2-NZ 3.05Å; D214-K217 PolarHBondContact OD2-NZ 2.72Å; A215-K217 PolarHBondContact O-N 2.89Å; A215-K217 VanDerWaalsContact O-N 3.14Å
218	K	84.8	Confident	87.4	Confident	195 Å²	195	111.7 Å²	111.7	85%	0.848	54%	0.542	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.5	-23.5	-175.6	-64.1	-179.3	-177.5	174.9	0	113.2	A215 W216	A215-K218 PolarHBondContact O-N 2.9Å; W216-K218 VanDerWaalsContact C-N 3.27Å; W216-K218 PolarHBondContact O-N 3.25Å
219	K	82.8	Confident	87.3	Confident	92 Å²	92	118.6 Å²	118.6	40%	0.4	56%	0.56	S	S	.	*	S	Bend	trans	-83.7	146.2	-179.3	-67.6	-164.3	175.3	-173.8	0	111.6	E203 L210 A215	E203-K219 HydrophobicContact CG-CB 4.19Å; E203-K219 HydrophobicContact CG-CD 3.53Å; E203-K219 HydrophobicContact CG-CG 4.5Å; E203-K219 WeakPolarHBondContact OE1-CD 3.43Å; E203-K219 IonicContact OE1-NZ 3.09Å; E203-K219 PolarHBondContact OE1-NZ 2.87Å; L210-K219 HydrophobicContact CD2-CD 3.9Å; A215-K219 PolarHBondContact O-N 3.07Å
220	R	81	Confident	87.4	Confident	139 Å²	139	115.1 Å²	115.1	53%	0.525	56%	0.557	S	S	.	*			trans	-86.6	138.3	169.3	-69.3	-177.3	174.6	-152.8	-6.5	109.4	E194 A202 E203	E194-R220 VanDerWaalsContact CD-NH2 3.27Å; E194-R220 IonicContact OE1-CZ 3.94Å; E194-R220 IonicContact OE1-NH1 3.83Å; E194-R220 IonicContact OE1-NH2 2.69Å; E194-R220 PolarHBondContact OE1-NH2 2.73Å; E194-R220 IonicContact OE2-CZ 2.7Å; E194-R220 IonicContact OE2-NH1 3.43Å; E194-R220 PolarHBondContact OE2-NH1 2.9Å; E194-R220 IonicContact OE2-NH2 3.33Å; E194-R220 PolarHBondContact OE2-NH2 2.96Å; A202-R220 CarbonylContact C-O 3.25Å; A202-R220 VanDerWaalsContact CA-O 3.26Å; A202-R220 WeakPolarHBondContact CA-O 3.31Å; A202-R220 WeakPolarHBondContact CB-O 3.45Å; E203-R220 PolarHBondContact N-O 3.23Å
221	F	83.8	Confident	87.3	Confident	73 Å²	73	122.8 Å²	122.8	32%	0.32	60%	0.597	S	S	.	*	B	Isolated β-bridge	trans	-106.9	143.8	176.5	-68.3	-92.5	0	0	0	110.5	E203 L206 L210 W216	E203-F221 HydrophobicContact CB-CD1 3.65Å; E203-F221 HydrophobicContact CB-CE1 3.68Å; E203-F221 HydrophobicContact CB-CG 4.42Å; E203-F221 HydrophobicContact CB-CZ 4.47Å; E203-F221 HydrophobicContact CG-CE1 4.49Å; E203-F221 CarbonylContact O-C 3.58Å; E203-F221 VanDerWaalsContact O-CA 3.27Å; E203-F221 WeakPolarHBondContact O-CA 3.46Å; L206-F221 HydrophobicContact CD1-CE1 4.29Å; L206-F221 HydrophobicContact CD1-CZ 3.91Å; L210-F221 HydrophobicContact CD1-CE1 4.12Å; L210-F221 HydrophobicContact CD1-CZ 4.13Å; W216-F221 HydrophobicContact CB-CE2 4.23Å; W216-F221 HydrophobicContact CB-CZ 3.99Å
222	K	83.3	Confident	87.2	Confident	148 Å²	148	123.9 Å²	123.9	64%	0.643	61%	0.61	S	S	*	*	P	Polyproline II helix	trans	-63.3	126.5	173	-172	172.7	-177.2	170.7	0	108.8	A202 E203 Y224	A202-K222 HydrophobicContact CB-CB 4.46Å; E203-K222 PolarHBondContact O-N 2.82Å; K222-Y224 PolarHBondContact O-N 2.93Å
223	P	83.7	Confident	87.1	Confident	117 Å²	117	122.4 Å²	122.4	76%	0.76	61%	0.609	S	S	*	*	P	Polyproline II helix	trans	-62.5	131.6	-178.9	24.2	-33	0	0	0	110.6	N225	P223-N225 PolarHBondContact O-N 3.35Å
224	Y	85.2	Confident	87.2	Confident	155 Å²	155	123.5 Å²	123.5	61%	0.608	62%	0.621	S	S	*	*	P	Polyproline II helix	trans	-68.2	129.9	177.8	-168.2	-91.5	0	0	0	110.5	K222 F226	K222-Y224 PolarHBondContact O-N 2.93Å; Y224-F226 AromaticContact CD1-CD1 3.82Å; Y224-F226 HydrophobicContact CD1-CD1 3.82Å; Y224-F226 HydrophobicContact CD1-CD2 4.36Å; Y224-F226 AromaticContact CD1-CE1 3.83Å; Y224-F226 HydrophobicContact CD1-CE1 3.83Å; Y224-F226 HydrophobicContact CD1-CE2 4.37Å; Y224-F226 HydrophobicContact CD1-CG 4.09Å; Y224-F226 HydrophobicContact CD1-CZ 4.11Å; Y224-F226 HydrophobicContact CE1-CD1 4.34Å; Y224-F226 HydrophobicContact CE1-CE1 4.5Å; Y224-F226 HydrophobicContact CG-CZ 4.49Å; Y224-F226 WeakPolarHBondContact O-CD2 3.29Å; Y224-F226 PolarHBondContact O-N 2.91Å
225	N	88	Confident	87.3	Confident	99 Å²	99	126 Å²	126	53%	0.529	62%	0.624	S	S	.	*			trans	-78.7	86.2	178	-176.8	7.3	0	0	0	111.1	P223 K227 A228	P223-N225 PolarHBondContact O-N 3.35Å; N225-K227 PolarHBondContact O-N 3.35Å; N225-K227 WeakPolarHBondContact OD1-CB 3.16Å; N225-K227 PolarHBondContact OD1-N 2.87Å; N225-A228 PolarHBondContact O-N 2.9Å; N225-A228 VanDerWaalsContact O-N 3.08Å
226	F	90.2	Very high	87.5	Confident	178 Å²	178	128 Å²	128	78%	0.781	65%	0.648	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.1	-5.8	176.2	-66.3	-76.6	0	0	0	114.8	Y224	Y224-F226 AromaticContact CD1-CD1 3.82Å; Y224-F226 HydrophobicContact CD1-CD1 3.82Å; Y224-F226 HydrophobicContact CD1-CD2 4.36Å; Y224-F226 AromaticContact CD1-CE1 3.83Å; Y224-F226 HydrophobicContact CD1-CE1 3.83Å; Y224-F226 HydrophobicContact CD1-CE2 4.37Å; Y224-F226 HydrophobicContact CD1-CG 4.09Å; Y224-F226 HydrophobicContact CD1-CZ 4.11Å; Y224-F226 HydrophobicContact CE1-CD1 4.34Å; Y224-F226 HydrophobicContact CE1-CE1 4.5Å; Y224-F226 HydrophobicContact CG-CZ 4.49Å; Y224-F226 WeakPolarHBondContact O-CD2 3.29Å; Y224-F226 PolarHBondContact O-N 2.91Å
227	K	91.3	Very high	87.7	Confident	200 Å²	200	128.3 Å²	128.3	87%	0.87	65%	0.65	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.2	-11.6	174.2	-58.4	-179.6	179.2	176.3	0	112.9	N225	N225-K227 PolarHBondContact O-N 3.35Å; N225-K227 WeakPolarHBondContact OD1-CB 3.16Å; N225-K227 PolarHBondContact OD1-N 2.87Å
228	A	90.8	Very high	87.9	Confident	57 Å²	57	128 Å²	128	47%	0.471	65%	0.654	S	S	.	*	S	Bend	trans	-84.6	150.1	176.1	0	0	0	0	0	111.3	N225	N225-A228 PolarHBondContact O-N 2.9Å; N225-A228 VanDerWaalsContact O-N 3.08Å
229	K	89.7	Confident	88.3	Confident	209 Å²	209	120.3 Å²	120.3	91%	0.909	62%	0.621	S	S	*	*	P	Polyproline II helix	trans	-70.1	134.6	168.7	-70.5	-175.9	178.3	-179.3	0	108.9
230	G	90.1	Very high	88.7	Confident	50 Å²	50	115.9 Å²	115.9	52%	0.515	60%	0.602	S	S	.	*	P	Polyproline II helix	trans	-64.4	164.4	171.2	0	0	0	0	0	112
231	L	88.3	Confident	89.3	Confident	173 Å²	173	109.3 Å²	109.3	91%	0.906	58%	0.577	S	S	*	*	P	Polyproline II helix	trans	-68.4	123	172.5	-67.3	170.4	0	0	0	109.1
232	P	87	Confident	89.8	Confident	115 Å²	115	109.9 Å²	109.9	75%	0.747	58%	0.583	S	S	*	*	P	Polyproline II helix	trans	-65.7	134.5	176.8	26.8	-32.6	0	0	0	109.6
233	P	89.9	Confident	90.2	Very high	103 Å²	103	104.8 Å²	104.8	67%	0.669	56%	0.561	S	S	*	*	P	Polyproline II helix	trans	-66.6	143.2	177.7	28.2	-34.4	0	0	0	110.6	R235	P233-R235 PolarHBondContact O-N 2.86Å
234	T	90.5	Very high	90.7	Very high	152 Å²	152	99.2 Å²	99.2	93%	0.933	53%	0.525	S	S	*	.	P	Polyproline II helix	trans	-63.8	121.4	169.1	-54.3	0	0	0	0	109.1
235	R	90	Very high	91.1	Very high	130 Å²	130	95.6 Å²	95.6	49%	0.491	51%	0.51	S	S	.	.			trans	-137	160.3	179.6	65.1	178.5	-176.8	144.6	7.8	111.2	P233 Y237 A502	P233-R235 PolarHBondContact O-N 2.86Å; R235-Y237 HydrophobicContact CG-CD1 4.29Å; R235-Y237 HydrophobicContact CG-CE1 3.65Å; R235-Y237 VanDerWaalsContact NE-CE1 3.34Å; R235-Y237 WeakPolarHBondContact O-CE2 3.44Å; R235-A502 PolarHBondContact NH2-O 3.41Å; R235-A502 VanDerWaalsContact NH2-O 3.11Å
236	G	92.1	Very high	91.4	Very high	72 Å²	72	93.7 Å²	93.7	74%	0.742	51%	0.508	S	S	*	.			trans	-74.5	157.1	166.8	0	0	0	0	0	111.5
237	Y	90.8	Very high	91.6	Very high	112 Å²	112	86.5 Å²	86.5	44%	0.439	48%	0.477	S	S	.	.			trans	-128.4	142.4	179.7	-52.4	-79.8	0	0	0	110.4	R235 A502	R235-Y237 HydrophobicContact CG-CD1 4.29Å; R235-Y237 HydrophobicContact CG-CE1 3.65Å; R235-Y237 VanDerWaalsContact NE-CE1 3.34Å; R235-Y237 WeakPolarHBondContact O-CE2 3.44Å; Y237-A502 VanDerWaalsContact CD1-CA 3.46Å; Y237-A502 HydrophobicContact CD1-CB 4.11Å; Y237-A502 HydrophobicContact CD2-CB 4.33Å; Y237-A502 VanDerWaalsContact CE1-CA 3.45Å; Y237-A502 HydrophobicContact CE1-CB 3.7Å; Y237-A502 VanDerWaalsContact CE1-O 3.25Å; Y237-A502 WeakPolarHBondContact CE1-O 3.13Å; Y237-A502 HydrophobicContact CE2-CB 3.99Å; Y237-A502 HydrophobicContact CG-CB 4.39Å
238	L	92.2	Very high	91.8	Very high	119 Å²	119	77 Å²	77	62%	0.623	44%	0.436	S	S	*	.			trans	-102.7	141	169.9	-67.8	173.3	0	0	0	108.7	Q243	L238-Q243 HydrophobicContact CB-CG 3.84Å
239	H	93	Very high	92.1	Very high	33 Å²	33	79.7 Å²	79.7	15%	0.153	43%	0.433	C	S	.	.			trans	-64.2	132.8	178.3	-170.8	-73.8	0	0	0	110.7	L241 L242 Q243 L491	H239-L241 VanDerWaalsContact C-N 3.34Å; H239-L241 VanDerWaalsContact ND1-CB 3.34Å; H239-L241 WeakPolarHBondContact ND1-CB 3.43Å; H239-L241 PolarHBondContact ND1-N 3.49Å; H239-L241 VanDerWaalsContact ND1-N 3.18Å; H239-L241 PolarHBondContact O-N 3.14Å; H239-L242 HydrophobicContact CB-CB 4.32Å; H239-L242 HydrophobicContact CB-CD1 4.04Å; H239-L242 HydrophobicContact CB-CG 4.05Å; H239-L242 WeakPolarHBondContact O-CA 3.5Å; H239-L242 WeakPolarHBondContact O-CB 3.39Å; H239-L242 PolarHBondContact O-N 3.25Å; H239-Q243 PolarHBondContact O-N 2.89Å; H239-L491 PolarHBondContact CE1-O 2.97Å; H239-L491 PolarHBondContact NE2-O 2.83Å
240	P	92.5	Very high	92.4	Very high	0 Å²	0	74.2 Å²	74.2	0%	0	41%	0.411	C	S	.	.	H	α-helix	trans	-51.4	-46.6	-177.5	-31.8	37.8	0	0	0	114.3	L242 Q243 V244 Y483 S504	P240-L242 VanDerWaalsContact C-N 3.25Å; P240-L242 PolarHBondContact O-N 2.97Å; P240-Q243 WeakPolarHBondContact O-CB 3.34Å; P240-Q243 PolarHBondContact O-N 2.8Å; P240-Q243 VanDerWaalsContact O-N 3.09Å; P240-V244 PolarHBondContact O-N 3.27Å; P240-Y483 HydrophobicContact CB-CD1 4.35Å; P240-Y483 HydrophobicContact CB-CD2 4.12Å; P240-Y483 HydrophobicContact CB-CE1 4.03Å; P240-Y483 HydrophobicContact CB-CE2 3.79Å; P240-Y483 HydrophobicContact CB-CG 4.39Å; P240-Y483 HydrophobicContact CG-CE1 4.42Å; P240-S504 WeakPolarHBondContact CG-OG 3.29Å
241	L	93.5	Very high	92.7	Very high	1 Å²	1	72.3 Å²	72.3	1%	0.005	39%	0.389	C	S	.	.	H	α-helix	trans	-55.7	-37.7	174.8	-170.8	71.1	0	0	0	113	H239 R245 L475 E476 T479 L491 F492	H239-L241 VanDerWaalsContact C-N 3.34Å; H239-L241 VanDerWaalsContact ND1-CB 3.34Å; H239-L241 WeakPolarHBondContact ND1-CB 3.43Å; H239-L241 PolarHBondContact ND1-N 3.49Å; H239-L241 VanDerWaalsContact ND1-N 3.18Å; H239-L241 PolarHBondContact O-N 3.14Å; L241-R245 WeakPolarHBondContact O-CB 3.39Å; L241-R245 PolarHBondContact O-N 3.18Å; L241-L475 HydrophobicContact CD1-CB 4.22Å; L241-L475 HydrophobicContact CD1-CD2 3.68Å; L241-L475 HydrophobicContact CD1-CG 3.61Å; L241-L475 HydrophobicContact CG-CD2 3.74Å; L241-L475 HydrophobicContact CG-CG 4.23Å; L241-E476 HydrophobicContact CD1-CG 4.11Å; L241-T479 HydrophobicContact CD1-CG2 4.29Å; L241-L491 HydrophobicContact CB-CD1 4.33Å; L241-L491 HydrophobicContact CB-CG 4.48Å; L241-L491 HydrophobicContact CD1-CD2 3.9Å; L241-L491 HydrophobicContact CD1-CG 4.44Å; L241-F492 HydrophobicContact CD2-CB 4.16Å; L241-F492 HydrophobicContact CD2-CD2 4.45Å; L241-F492 HydrophobicContact CD2-CG 4.4Å
242	L	93	Very high	93.1	Very high	84 Å²	84	64 Å²	64	44%	0.44	35%	0.346	S	S	.	.	H	α-helix	trans	-77.4	-29.1	179	-62.4	-179	0	0	0	112.4	H239 P240 R245 A246	H239-L242 HydrophobicContact CB-CB 4.32Å; H239-L242 HydrophobicContact CB-CD1 4.04Å; H239-L242 HydrophobicContact CB-CG 4.05Å; H239-L242 WeakPolarHBondContact O-CA 3.5Å; H239-L242 WeakPolarHBondContact O-CB 3.39Å; H239-L242 PolarHBondContact O-N 3.25Å; P240-L242 VanDerWaalsContact C-N 3.25Å; P240-L242 PolarHBondContact O-N 2.97Å; L242-R245 PolarHBondContact O-N 3.22Å; L242-A246 PolarHBondContact O-N 3.29Å
243	Q	93	Very high	93.6	Very high	42 Å²	42	62.1 Å²	62.1	20%	0.196	33%	0.329	C	S	.	.	H	α-helix	trans	-64.3	-47.2	171	-66	-177.8	-15.9	0	0	110.4	L238 H239 P240 R245 A246 E247 Y483	L238-Q243 HydrophobicContact CB-CG 3.84Å; H239-Q243 PolarHBondContact O-N 2.89Å; P240-Q243 WeakPolarHBondContact O-CB 3.34Å; P240-Q243 PolarHBondContact O-N 2.8Å; P240-Q243 VanDerWaalsContact O-N 3.09Å; Q243-R245 VanDerWaalsContact C-N 3.34Å; Q243-R245 PolarHBondContact O-N 2.82Å; Q243-A246 WeakPolarHBondContact O-CB 3.1Å; Q243-A246 PolarHBondContact O-N 2.89Å; Q243-E247 PolarHBondContact O-N 2.84Å; Q243-E247 VanDerWaalsContact O-N 3.17Å; Q243-Y483 PolarHBondContact OE1-OH 2.88Å
244	V	93.2	Very high	94	Very high	0 Å²	0	62.3 Å²	62.3	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-64.3	-38.8	175.7	178.5	0	0	0	0	111	P240 A246 E247 F248 L475 T479 K482 Y483 F509	P240-V244 PolarHBondContact O-N 3.27Å; V244-A246 VanDerWaalsContact C-N 3.32Å; V244-A246 PolarHBondContact O-N 2.73Å; V244-E247 WeakPolarHBondContact O-CB 3.49Å; V244-E247 PolarHBondContact O-N 3.38Å; V244-F248 HydrophobicContact CG1-CD2 3.63Å; V244-F248 HydrophobicContact CG1-CE2 3.53Å; V244-F248 WeakPolarHBondContact O-CD2 3.47Å; V244-F248 PolarHBondContact O-N 3.23Å; V244-L475 HydrophobicContact CB-CD1 4.41Å; V244-L475 HydrophobicContact CG1-CD1 3.88Å; V244-T479 WeakPolarHBondContact CG1-OG1 3.43Å; V244-T479 HydrophobicContact CG2-CG2 4.06Å; V244-K482 HydrophobicContact CG2-CD 4.14Å; V244-Y483 HydrophobicContact CG2-CE2 3.83Å; V244-F509 HydrophobicContact CG1-CE2 4.48Å
245	R	95	Very high	94.3	Very high	79 Å²	79	56.5 Å²	56.5	30%	0.298	28%	0.283	S	S	.	.	H	α-helix	trans	-55.9	-45.8	172.2	179.6	175.9	176.5	-160.4	0.5	112.1	L241 L242 Q243 E247 F248 R249 I367 L475	L241-R245 WeakPolarHBondContact O-CB 3.39Å; L241-R245 PolarHBondContact O-N 3.18Å; L242-R245 PolarHBondContact O-N 3.22Å; Q243-R245 VanDerWaalsContact C-N 3.34Å; Q243-R245 PolarHBondContact O-N 2.82Å; R245-E247 VanDerWaalsContact C-N 3.26Å; R245-E247 PolarHBondContact O-N 3.12Å; R245-F248 PolarHBondContact O-N 3.15Å; R245-R249 VanDerWaalsContact O-CB 3.31Å; R245-R249 WeakPolarHBondContact O-CB 3.43Å; R245-R249 PolarHBondContact O-N 2.64Å; R245-I367 HydrophobicContact CG-CB 4.39Å; R245-I367 HydrophobicContact CG-CD1 4.32Å; R245-I367 HydrophobicContact CG-CG2 3.89Å; R245-I367 PolarHBondContact NH2-O 3.31Å; R245-L475 HydrophobicContact CB-CD1 4.3Å; R245-L475 HydrophobicContact CB-CD2 3.81Å; R245-L475 HydrophobicContact CG-CD2 4.42Å
246	A	94.4	Very high	94.7	Very high	58 Å²	58	52.6 Å²	52.6	48%	0.479	28%	0.284	S	S	.	.	H	α-helix	trans	-63.3	-36.5	-178.7	0	0	0	0	0	111.8	L242 Q243 V244 Q250	L242-A246 PolarHBondContact O-N 3.29Å; Q243-A246 WeakPolarHBondContact O-CB 3.1Å; Q243-A246 PolarHBondContact O-N 2.89Å; V244-A246 VanDerWaalsContact C-N 3.32Å; V244-A246 PolarHBondContact O-N 2.73Å; A246-Q250 WeakPolarHBondContact O-CB 3.43Å; A246-Q250 PolarHBondContact O-N 2.92Å
247	E	93.5	Very high	95	Very high	28 Å²	28	49.5 Å²	49.5	13%	0.131	25%	0.25	C	S	.	.	H	α-helix	trans	-69.3	-47.9	175.6	171.6	176.7	-128.4	0	0	113.1	Q243 V244 R245 R249 Q250 I251 K482 Q508 F509	Q243-E247 PolarHBondContact O-N 2.84Å; Q243-E247 VanDerWaalsContact O-N 3.17Å; V244-E247 WeakPolarHBondContact O-CB 3.49Å; V244-E247 PolarHBondContact O-N 3.38Å; R245-E247 VanDerWaalsContact C-N 3.26Å; R245-E247 PolarHBondContact O-N 3.12Å; E247-R249 VanDerWaalsContact C-N 3.26Å; E247-R249 PolarHBondContact O-N 3.25Å; E247-Q250 WeakPolarHBondContact O-CB 2.98Å; E247-Q250 PolarHBondContact O-N 3.21Å; E247-Q250 VanDerWaalsContact O-N 3.08Å; E247-I251 HydrophobicContact CG-CD1 4.38Å; E247-I251 WeakPolarHBondContact O-CG1 3.41Å; E247-I251 PolarHBondContact O-N 3.08Å; E247-K482 IonicContact OE1-NZ 2.81Å; E247-K482 PolarHBondContact OE1-NZ 3.4Å; E247-K482 IonicContact OE2-NZ 3.82Å; E247-K482 PolarHBondContact OE2-NZ 3.08Å; E247-Q508 VanDerWaalsContact OE1-CA 3.3Å; E247-Q508 WeakPolarHBondContact OE1-CA 3.43Å; E247-F509 HydrophobicContact CG-CD2 4.25Å; E247-F509 WeakPolarHBondContact OE1-CB 3.44Å; E247-F509 WeakPolarHBondContact OE1-CD2 3.32Å; E247-F509 PolarHBondContact OE1-N 2.89Å; E247-F509 WeakPolarHBondContact OE2-CD2 3.4Å; E247-F509 WeakPolarHBondContact OE2-CE2 3.37Å
248	F	95.4	Very high	95.3	Very high	1 Å²	1	47.5 Å²	47.5	0%	0.004	25%	0.252	C	S	.	.	H	α-helix	trans	-56.9	-44	173	-88.2	-80.8	0	0	0	111.4	V244 R245 Q250 I251 F252 I367 I387 F408 L412 L473 L475 P478	V244-F248 HydrophobicContact CG1-CD2 3.63Å; V244-F248 HydrophobicContact CG1-CE2 3.53Å; V244-F248 WeakPolarHBondContact O-CD2 3.47Å; V244-F248 PolarHBondContact O-N 3.23Å; R245-F248 PolarHBondContact O-N 3.15Å; F248-Q250 VanDerWaalsContact C-N 3.3Å; F248-Q250 PolarHBondContact O-N 3.11Å; F248-I251 PolarHBondContact O-N 3.32Å; F248-F252 WeakPolarHBondContact O-CD2 3.44Å; F248-F252 PolarHBondContact O-N 2.98Å; F248-F252 VanDerWaalsContact O-N 3.1Å; F248-I367 HydrophobicContact CB-CD1 3.67Å; F248-I387 HydrophobicContact CB-CD1 4.26Å; F248-I387 HydrophobicContact CD1-CD1 3.62Å; F248-I387 HydrophobicContact CD2-CD1 3.76Å; F248-I387 HydrophobicContact CE1-CD1 3.75Å; F248-I387 HydrophobicContact CE2-CD1 3.92Å; F248-I387 HydrophobicContact CG-CD1 3.61Å; F248-I387 HydrophobicContact CZ-CD1 3.92Å; F248-F408 HydrophobicContact CD1-CE2 4.38Å; F248-F408 AromaticContact CD1-CZ 3.71Å; F248-F408 HydrophobicContact CD1-CZ 3.71Å; F248-F408 HydrophobicContact CE1-CE1 4.13Å; F248-F408 AromaticContact CE1-CZ 3.72Å; F248-F408 HydrophobicContact CE1-CZ 3.72Å; F248-L412 HydrophobicContact CD1-CD1 4.4Å; F248-L412 HydrophobicContact CD1-CD2 4.14Å; F248-L412 HydrophobicContact CE1-CD1 3.48Å; F248-L412 VanDerWaalsContact CE1-CD1 3.48Å; F248-L412 HydrophobicContact CE1-CD2 3.69Å; F248-L412 HydrophobicContact CE1-CG 4.21Å; F248-L412 HydrophobicContact CE2-CD2 4.2Å; F248-L412 HydrophobicContact CZ-CD1 3.85Å; F248-L412 HydrophobicContact CZ-CD2 3.71Å; F248-L412 HydrophobicContact CZ-CG 4.47Å; F248-L473 HydrophobicContact CE1-CD1 3.83Å; F248-L473 HydrophobicContact CZ-CD1 3.9Å; F248-L475 HydrophobicContact CD2-CD1 3.71Å; F248-L475 HydrophobicContact CE2-CD1 4.13Å; F248-P478 HydrophobicContact CE2-CB 4.12Å; F248-P478 HydrophobicContact CE2-CG 4.31Å; F248-P478 HydrophobicContact CZ-CB 4.08Å; F248-P478 HydrophobicContact CZ-CG 3.97Å
249	R	96.9	Very high	95.6	Very high	112 Å²	112	45.5 Å²	45.5	42%	0.423	24%	0.24	S	C	.	.	H	α-helix	trans	-57.5	-44.8	175.3	-176.9	176.9	-178	-123.7	-1.4	111.2	R245 E247 F252 L253 E259 F365 I367	R245-R249 VanDerWaalsContact O-CB 3.31Å; R245-R249 WeakPolarHBondContact O-CB 3.43Å; R245-R249 PolarHBondContact O-N 2.64Å; E247-R249 VanDerWaalsContact C-N 3.26Å; E247-R249 PolarHBondContact O-N 3.25Å; R249-F252 PolarHBondContact O-N 3.49Å; R249-L253 HydrophobicContact CG-CD1 4.28Å; R249-L253 VanDerWaalsContact O-CG 3.27Å; R249-L253 WeakPolarHBondContact O-CG 3.47Å; R249-L253 PolarHBondContact O-N 2.76Å; R249-L253 VanDerWaalsContact O-N 3.09Å; R249-E259 IonicContact CZ-OE2 2.82Å; R249-E259 VanDerWaalsContact CZ-OE2 3.29Å; R249-E259 IonicContact NE-OE1 3.51Å; R249-E259 PolarHBondContact NE-OE1 3.2Å; R249-E259 IonicContact NE-OE2 3.89Å; R249-E259 PolarHBondContact NE-OE2 3.12Å; R249-E259 IonicContact NH2-OE2 3.27Å; R249-E259 PolarHBondContact NH2-OE2 3.18Å; R249-F365 HydrophobicContact CB-CE2 4.3Å; R249-F365 HydrophobicContact CG-CE2 3.92Å; R249-F365 HydrophobicContact CG-CZ 3.87Å; R249-I367 HydrophobicContact CB-CD1 4.1Å
250	Q	96.1	Very high	95.8	Very high	95 Å²	95	44.2 Å²	44.2	44%	0.444	23%	0.234	S	C	.	.	H	α-helix	trans	-62.6	-42.8	177.6	-176.1	58.5	30.8	0	0	112.2	A246 E247 F248 F252 L253 E254	A246-Q250 WeakPolarHBondContact O-CB 3.43Å; A246-Q250 PolarHBondContact O-N 2.92Å; E247-Q250 WeakPolarHBondContact O-CB 2.98Å; E247-Q250 PolarHBondContact O-N 3.21Å; E247-Q250 VanDerWaalsContact O-N 3.08Å; F248-Q250 VanDerWaalsContact C-N 3.3Å; F248-Q250 PolarHBondContact O-N 3.11Å; Q250-F252 PolarHBondContact O-N 3.24Å; Q250-L253 PolarHBondContact O-N 3.39Å; Q250-E254 PolarHBondContact NE2-OE1 2.95Å; Q250-E254 WeakPolarHBondContact O-CG 3.41Å; Q250-E254 PolarHBondContact O-N 2.99Å
251	I	96.1	Very high	95.9	Very high	9 Å²	9	47.9 Å²	47.9	5%	0.046	26%	0.258	C	S	.	.	H	α-helix	trans	-58.2	-45.9	176.6	-71.4	171.4	0	0	0	111.3	E247 F248 E254 M255 F408 K411 L412	E247-I251 HydrophobicContact CG-CD1 4.38Å; E247-I251 WeakPolarHBondContact O-CG1 3.41Å; E247-I251 PolarHBondContact O-N 3.08Å; F248-I251 PolarHBondContact O-N 3.32Å; I251-E254 PolarHBondContact O-N 3.39Å; I251-M255 HydrophobicContact CG2-SD 4.04Å; I251-M255 VanDerWaalsContact O-CG 3.31Å; I251-M255 WeakPolarHBondContact O-CG 3.18Å; I251-M255 PolarHBondContact O-N 3.35Å; I251-F408 HydrophobicContact CG2-CD2 3.82Å; I251-F408 HydrophobicContact CG2-CE2 3.97Å; I251-K411 HydrophobicContact CD1-CB 4.09Å; I251-K411 HydrophobicContact CG1-CB 4.07Å; I251-K411 HydrophobicContact CG2-CB 3.92Å; I251-K411 HydrophobicContact CG2-CD 3.88Å; I251-L412 HydrophobicContact CD1-CD2 3.34Å; I251-L412 HydrophobicContact CD1-CG 3.78Å
252	F	97.9	Very high	96.1	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-61.5	-44.7	176.1	-82.5	-68.9	0	0	0	112.7	F248 R249 Q250 E254 M255 G256 F257 F365 I387 F408 W471	F248-F252 WeakPolarHBondContact O-CD2 3.44Å; F248-F252 PolarHBondContact O-N 2.98Å; F248-F252 VanDerWaalsContact O-N 3.1Å; R249-F252 PolarHBondContact O-N 3.49Å; Q250-F252 PolarHBondContact O-N 3.24Å; F252-E254 VanDerWaalsContact C-N 3.33Å; F252-E254 PolarHBondContact O-N 3.3Å; F252-M255 PolarHBondContact O-N 3.2Å; F252-M255 VanDerWaalsContact O-N 3.15Å; F252-G256 PolarHBondContact O-N 3.02Å; F252-F257 HydrophobicContact CB-CB 4.07Å; F252-F257 HydrophobicContact CD1-CB 4.06Å; F252-F257 AromaticContact CD1-CD1 3.92Å; F252-F257 HydrophobicContact CD1-CD1 3.92Å; F252-F257 HydrophobicContact CD1-CD2 4.23Å; F252-F257 AromaticContact CD1-CG 3.8Å; F252-F257 HydrophobicContact CD1-CG 3.8Å; F252-F257 HydrophobicContact CE1-CD1 4.31Å; F252-F257 WeakPolarHBondContact O-CB 3.21Å; F252-F257 PolarHBondContact O-N 3.5Å; F252-F365 HydrophobicContact CB-CB 4.1Å; F252-F365 HydrophobicContact CB-CD1 3.58Å; F252-F365 HydrophobicContact CB-CD2 3.67Å; F252-F365 HydrophobicContact CB-CE1 3.76Å; F252-F365 HydrophobicContact CB-CE2 3.89Å; F252-F365 HydrophobicContact CB-CG 3.49Å; F252-F365 VanDerWaalsContact CB-CG 3.49Å; F252-F365 HydrophobicContact CB-CZ 3.92Å; F252-F365 HydrophobicContact CD1-CB 3.38Å; F252-F365 HydrophobicContact CD1-CD1 4.38Å; F252-F365 HydrophobicContact CD1-CD2 4.31Å; F252-F365 AromaticContact CD1-CG 3.8Å; F252-F365 HydrophobicContact CD1-CG 3.8Å; F252-F365 HydrophobicContact CD2-CB 3.93Å; F252-F365 AromaticContact CD2-CD2 3.42Å; F252-F365 HydrophobicContact CD2-CD2 3.42Å; F252-F365 VanDerWaalsContact CD2-CD2 3.42Å; F252-F365 HydrophobicContact CD2-CE2 4.07Å; F252-F365 AromaticContact CD2-CG 3.78Å; F252-F365 HydrophobicContact CD2-CG 3.78Å; F252-F365 HydrophobicContact CE1-CB 3.61Å; F252-F365 HydrophobicContact CE1-CG 4.42Å; F252-F365 HydrophobicContact CE2-CB 4.18Å; F252-F365 HydrophobicContact CE2-CD2 4.11Å; F252-F365 HydrophobicContact CE2-CG 4.45Å; F252-F365 HydrophobicContact CG-CB 3.54Å; F252-F365 HydrophobicContact CG-CD1 4.01Å; F252-F365 AromaticContact CG-CD2 3.55Å; F252-F365 HydrophobicContact CG-CD2 3.55Å; F252-F365 HydrophobicContact CG-CE2 4.22Å; F252-F365 AromaticContact CG-CG 3.42Å; F252-F365 HydrophobicContact CG-CG 3.42Å; F252-F365 VanDerWaalsContact CG-CG 3.42Å; F252-F365 HydrophobicContact CZ-CB 4.02Å; F252-I387 HydrophobicContact CE2-CG2 3.39Å; F252-I387 HydrophobicContact CZ-CG2 3.73Å; F252-F408 HydrophobicContact CD1-CE2 4.36Å; F252-F408 HydrophobicContact CD2-CE2 4.19Å; F252-F408 HydrophobicContact CE1-CD2 4.31Å; F252-F408 AromaticContact CE1-CE2 3.86Å; F252-F408 HydrophobicContact CE1-CE2 3.86Å; F252-F408 AromaticContact CE2-CE2 3.62Å; F252-F408 HydrophobicContact CE2-CE2 3.62Å; F252-F408 HydrophobicContact CE2-CZ 4.05Å; F252-F408 HydrophobicContact CZ-CD2 4.3Å; F252-F408 AromaticContact CZ-CE2 3.45Å; F252-F408 HydrophobicContact CZ-CE2 3.45Å; F252-F408 VanDerWaalsContact CZ-CE2 3.45Å; F252-F408 AromaticContact CZ-CZ 3.93Å; F252-F408 HydrophobicContact CZ-CZ 3.93Å; F252-W471 HydrophobicContact CD1-CZ2 4.39Å; F252-W471 AromaticContact CE1-CH2 3.99Å; F252-W471 HydrophobicContact CE1-CH2 3.99Å; F252-W471 AromaticContact CE1-CZ2 3.41Å; F252-W471 HydrophobicContact CE1-CZ2 3.41Å; F252-W471 VanDerWaalsContact CE1-CZ2 3.41Å; F252-W471 AromaticContact CZ-CZ2 3.97Å; F252-W471 HydrophobicContact CZ-CZ2 3.97Å
253	L	97.7	Very high	96	Very high	75 Å²	75	50.7 Å²	50.7	39%	0.393	28%	0.284	S	S	.	.	H	α-helix	trans	-61.4	-42	178.3	-67.1	172.6	0	0	0	111.4	R249 Q250 M255 G256 F365	R249-L253 HydrophobicContact CG-CD1 4.28Å; R249-L253 VanDerWaalsContact O-CG 3.27Å; R249-L253 WeakPolarHBondContact O-CG 3.47Å; R249-L253 PolarHBondContact O-N 2.76Å; R249-L253 VanDerWaalsContact O-N 3.09Å; Q250-L253 PolarHBondContact O-N 3.39Å; L253-M255 VanDerWaalsContact C-N 3.29Å; L253-M255 PolarHBondContact O-N 3.11Å; L253-G256 PolarHBondContact O-N 3.15Å; L253-G256 VanDerWaalsContact O-N 3.08Å; L253-F365 HydrophobicContact CD2-CE1 3.99Å; L253-F365 HydrophobicContact CD2-CZ 4.21Å; L253-F365 HydrophobicContact CG-CE1 4.39Å; L253-F365 HydrophobicContact CG-CZ 4.27Å
254	E	97.2	Very high	96	Very high	107 Å²	107	50.5 Å²	50.5	50%	0.5	28%	0.284	S	S	.	.	H	α-helix	trans	-63.7	-32.3	175.2	-73.1	175.6	-166.5	0	0	113.4	Q250 I251 F252 G256 K411	Q250-E254 PolarHBondContact NE2-OE1 2.95Å; Q250-E254 WeakPolarHBondContact O-CG 3.41Å; Q250-E254 PolarHBondContact O-N 2.99Å; I251-E254 PolarHBondContact O-N 3.39Å; F252-E254 VanDerWaalsContact C-N 3.33Å; F252-E254 PolarHBondContact O-N 3.3Å; E254-G256 PolarHBondContact O-N 3.34Å; E254-K411 IonicContact OE2-NZ 2.59Å; E254-K411 PolarHBondContact OE2-NZ 2.98Å
255	M	97	Very high	96.2	Very high	29 Å²	29	55.9 Å²	55.9	14%	0.143	31%	0.305	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.5	2	175.7	-67	177.8	71.7	0	0	113.3	I251 F252 L253 F257 K363 I404 E407 F408 K411	I251-M255 HydrophobicContact CG2-SD 4.04Å; I251-M255 VanDerWaalsContact O-CG 3.31Å; I251-M255 WeakPolarHBondContact O-CG 3.18Å; I251-M255 PolarHBondContact O-N 3.35Å; F252-M255 PolarHBondContact O-N 3.2Å; F252-M255 VanDerWaalsContact O-N 3.15Å; L253-M255 VanDerWaalsContact C-N 3.29Å; L253-M255 PolarHBondContact O-N 3.11Å; M255-F257 HydrophobicContact CB-CD2 3.65Å; M255-F257 HydrophobicContact CB-CE2 3.81Å; M255-F257 HydrophobicContact CE-CE2 4.36Å; M255-K363 PolarHBondContact O-NZ 3.26Å; M255-I404 HydrophobicContact CE-CG2 4.02Å; M255-E407 HydrophobicContact CE-CB 4Å; M255-F408 HydrophobicContact CE-CB 4Å; M255-F408 HydrophobicContact SD-CB 4Å; M255-F408 HydrophobicContact SD-CD2 3.93Å; M255-F408 HydrophobicContact SD-CG 4.48Å; M255-K411 HydrophobicContact CG-CD 3.96Å; M255-K411 HydrophobicContact SD-CD 4.2Å
256	G	97.6	Very high	96.3	Very high	49 Å²	49	54.8 Å²	54.8	51%	0.505	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	78.5	26	178.7	0	0	0	0	0	114.2	F252 L253 E254	F252-G256 PolarHBondContact O-N 3.02Å; L253-G256 PolarHBondContact O-N 3.15Å; L253-G256 VanDerWaalsContact O-N 3.08Å; E254-G256 PolarHBondContact O-N 3.34Å
257	F	98.4	Very high	96.4	Very high	7 Å²	7	52.1 Å²	52.1	3%	0.031	29%	0.285	C	S	.	.	P	Polyproline II helix	trans	-86.8	146.8	174.5	-71.5	-114.6	0	0	0	110.9	F252 M255 K363 Y364 F365 I390 V391 I404 W471	F252-F257 HydrophobicContact CB-CB 4.07Å; F252-F257 HydrophobicContact CD1-CB 4.06Å; F252-F257 AromaticContact CD1-CD1 3.92Å; F252-F257 HydrophobicContact CD1-CD1 3.92Å; F252-F257 HydrophobicContact CD1-CD2 4.23Å; F252-F257 AromaticContact CD1-CG 3.8Å; F252-F257 HydrophobicContact CD1-CG 3.8Å; F252-F257 HydrophobicContact CE1-CD1 4.31Å; F252-F257 WeakPolarHBondContact O-CB 3.21Å; F252-F257 PolarHBondContact O-N 3.5Å; M255-F257 HydrophobicContact CB-CD2 3.65Å; M255-F257 HydrophobicContact CB-CE2 3.81Å; M255-F257 HydrophobicContact CE-CE2 4.36Å; F257-K363 HydrophobicContact CB-CB 4.3Å; F257-K363 HydrophobicContact CD1-CB 3.72Å; F257-K363 HydrophobicContact CD2-CB 4.11Å; F257-K363 HydrophobicContact CD2-CD 4.09Å; F257-K363 HydrophobicContact CE1-CB 3.91Å; F257-K363 HydrophobicContact CE2-CB 4.28Å; F257-K363 HydrophobicContact CE2-CD 3.86Å; F257-K363 HydrophobicContact CE2-CG 4.45Å; F257-K363 HydrophobicContact CG-CB 3.79Å; F257-K363 HydrophobicContact CZ-CB 4.15Å; F257-K363 HydrophobicContact CZ-CD 4.19Å; F257-K363 HydrophobicContact CZ-CG 4.34Å; F257-Y364 WeakPolarHBondContact CD1-O 2.99Å; F257-F365 HydrophobicContact CB-CB 4.29Å; F257-F365 HydrophobicContact CB-CD1 3.61Å; F257-F365 HydrophobicContact CB-CE1 4.37Å; F257-F365 HydrophobicContact CB-CG 4.32Å; F257-F365 HydrophobicContact CD1-CB 4.31Å; F257-I390 WeakPolarHBondContact CE1-O 3.45Å; F257-V391 HydrophobicContact CE1-CG2 3.52Å; F257-V391 HydrophobicContact CZ-CG2 3.37Å; F257-I404 HydrophobicContact CZ-CG2 4.47Å; F257-W471 AromaticContact CE1-CH2 3.53Å; F257-W471 HydrophobicContact CE1-CH2 3.53Å; F257-W471 AromaticContact CE1-CZ3 3.97Å; F257-W471 HydrophobicContact CE1-CZ3 3.97Å; F257-W471 HydrophobicContact CE2-CH2 4.26Å; F257-W471 AromaticContact CZ-CH2 3.4Å; F257-W471 HydrophobicContact CZ-CH2 3.4Å; F257-W471 HydrophobicContact CZ-CZ2 4.49Å; F257-W471 AromaticContact CZ-CZ3 3.97Å; F257-W471 HydrophobicContact CZ-CZ3 3.97Å
258	S	98.1	Very high	96.6	Very high	69 Å²	69	50.8 Å²	50.8	48%	0.483	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	135.8	174.2	-62.3	0	0	0	0	111	M260 K363 Y364 F365	S258-M260 PolarHBondContact O-N 3.25Å; S258-K363 PolarHBondContact N-O 2.86Å; S258-Y364 CarbonylContact O-C 3.52Å; S258-Y364 VanDerWaalsContact O-CA 3.25Å; S258-Y364 WeakPolarHBondContact O-CA 3.37Å; S258-F365 VanDerWaalsContact C-CD1 3.48Å; S258-F365 WeakPolarHBondContact O-CD1 3.21Å; S258-F365 PolarHBondContact O-N 2.95Å
259	E	98.2	Very high	96.7	Very high	77 Å²	77	50.8 Å²	50.8	36%	0.36	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	124.3	-178.7	-166.8	167	-158.7	0	0	110.6	R249 F365	R249-E259 IonicContact CZ-OE2 2.82Å; R249-E259 VanDerWaalsContact CZ-OE2 3.29Å; R249-E259 IonicContact NE-OE1 3.51Å; R249-E259 PolarHBondContact NE-OE1 3.2Å; R249-E259 IonicContact NE-OE2 3.89Å; R249-E259 PolarHBondContact NE-OE2 3.12Å; R249-E259 IonicContact NH2-OE2 3.27Å; R249-E259 PolarHBondContact NH2-OE2 3.18Å; E259-F365 CarbonylContact C-O 3.58Å; E259-F365 VanDerWaalsContact CA-CE1 3.46Å; E259-F365 WeakPolarHBondContact CA-O 3.16Å; E259-F365 HydrophobicContact CB-CD1 4.3Å; E259-F365 HydrophobicContact CB-CE1 3.59Å; E259-F365 HydrophobicContact CB-CE2 4.27Å; E259-F365 HydrophobicContact CB-CZ 3.57Å; E259-F365 HydrophobicContact CG-CE1 4.25Å; E259-F365 HydrophobicContact CG-CE2 4.02Å; E259-F365 HydrophobicContact CG-CZ 3.79Å; E259-F365 VanDerWaalsContact N-CE1 3.32Å
260	M	96.8	Very high	96.8	Very high	7 Å²	7	45.5 Å²	45.5	3%	0.034	26%	0.258	C	S	.	.	P	Polyproline II helix	trans	-79.9	144.9	177.5	-60.2	-175.7	-76.1	0	0	111	S258 T262 S346 M349 Y364 F365 I390	S258-M260 PolarHBondContact O-N 3.25Å; M260-T262 PolarHBondContact O-N 2.82Å; M260-S346 WeakPolarHBondContact CE-OG 3.32Å; M260-M349 HydrophobicContact CB-CG 4.08Å; M260-M349 HydrophobicContact CG-CG 3.82Å; M260-M349 HydrophobicContact SD-CB 3.79Å; M260-M349 HydrophobicContact SD-CG 3.57Å; M260-M349 VanDerWaalsContact SD-CG 3.57Å; M260-Y364 VanDerWaalsContact CG-CB 3.46Å; M260-Y364 HydrophobicContact CG-CD1 4.17Å; M260-Y364 HydrophobicContact CG-CG 3.99Å; M260-Y364 WeakPolarHBondContact SD-CB 3.27Å; M260-Y364 HydrophobicContact SD-CG 4.09Å; M260-F365 PolarHBondContact N-O 2.62Å; M260-I390 HydrophobicContact CE-CD1 4.41Å; M260-I390 HydrophobicContact CE-CG1 4.44Å; M260-I390 HydrophobicContact SD-CD1 3.99Å; M260-I390 HydrophobicContact SD-CG1 4.45Å
261	P	96	Very high	96.8	Very high	77 Å²	77	41.8 Å²	41.8	50%	0.5	24%	0.241	S	C	.	.	P	Polyproline II helix	trans	-69.4	131.5	169.2	30.1	-33.4	0	0	0	110.2	M349	P261-M349 HydrophobicContact CG-SD 4.28Å
262	T	96.1	Very high	96.9	Very high	17 Å²	17	41.4 Å²	41.4	10%	0.104	24%	0.238	C	C	.	.			trans	-127.3	26.5	179.4	55.3	0	0	0	0	111.6	M260 N264 R339 C345 D368	M260-T262 PolarHBondContact O-N 2.82Å; T262-N264 PolarHBondContact O-N 3.31Å; T262-R339 PolarHBondContact O-NH1 3.08Å; T262-C345 HydrophobicContact CG2-CB 4.11Å; T262-D368 WeakPolarHBondContact CB-OD2 3.45Å; T262-D368 HydrophobicContact CG2-CB 4.19Å; T262-D368 VanDerWaalsContact OG1-CG 3.31Å; T262-D368 PolarHBondContact OG1-OD2 2.88Å
263	S	92.5	Very high	96.9	Very high	126 Å²	126	41.4 Å²	41.4	88%	0.881	24%	0.239	S	C	*	.			trans	-74.1	46.4	-173.7	-52.1	0	0	0	0	114.1
264	N	92.8	Very high	96.9	Very high	38 Å²	38	37.9 Å²	37.9	20%	0.203	22%	0.22	C	C	.	.			trans	-151.4	103.9	-179.8	64.3	-61.9	0	0	0	111	T262 E267 R339 K348	T262-N264 PolarHBondContact O-N 3.31Å; N264-E267 PolarHBondContact ND2-OE2 3.07Å; N264-R339 VanDerWaalsContact O-CD 3.27Å; N264-R339 WeakPolarHBondContact O-CD 3.46Å; N264-R339 VanDerWaalsContact O-CZ 3.31Å; N264-R339 PolarHBondContact O-NE 3.41Å; N264-R339 PolarHBondContact O-NH1 2.79Å; N264-K348 PolarHBondContact ND2-NZ 2.8Å
265	Y	96.8	Very high	97	Very high	114 Å²	114	32.9 Å²	32.9	45%	0.447	20%	0.197	S	C	.	.	S	Bend	trans	-77	-35.6	172.5	-67	-18.1	0	0	0	112.2	L338 R339 F371	Y265-L338 WeakPolarHBondContact O-CA 3.15Å; Y265-R339 PolarHBondContact O-N 3.45Å; Y265-F371 HydrophobicContact CD1-CE2 4.12Å; Y265-F371 HydrophobicContact CD1-CZ 4.4Å; Y265-F371 HydrophobicContact CD2-CE2 4.48Å; Y265-F371 HydrophobicContact CD2-CZ 4.15Å; Y265-F371 AromaticContact CG-CE2 3.93Å; Y265-F371 HydrophobicContact CG-CE2 3.93Å; Y265-F371 HydrophobicContact CG-CZ 4.05Å
266	V	96.9	Very high	97	Very high	55 Å²	55	31.6 Å²	31.6	33%	0.333	19%	0.191	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	134.3	170.4	-179.1	0	0	0	0	108.5	V293 N336 V337 L338	V266-V293 HydrophobicContact CG1-CG2 4.04Å; V266-V293 HydrophobicContact CG2-CG2 4.1Å; V266-N336 HydrophobicContact CG1-CB 3.84Å; V266-V337 WeakPolarHBondContact CA-O 3.39Å; V266-L338 HydrophobicContact CG2-CD2 4.16Å
267	E	96.9	Very high	97	Very high	3 Å²	3	29.4 Å²	29.4	1%	0.014	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	145.8	176	-169.8	59.6	-83.1	0	0	108.9	N264 W271 N272 V337 R339 A344 K348	N264-E267 PolarHBondContact ND2-OE2 3.07Å; E267-W271 HydrophobicContact CG-CB 3.86Å; E267-W271 WeakPolarHBondContact OE1-CB 3.36Å; E267-N272 HydrophobicContact CB-CB 4.33Å; E267-N272 HydrophobicContact CG-CB 3.84Å; E267-V337 PolarHBondContact N-O 3.3Å; E267-V337 WeakPolarHBondContact O-CG2 3.34Å; E267-V337 PolarHBondContact O-N 3.38Å; E267-V337 VanDerWaalsContact O-O 3.08Å; E267-R339 HydrophobicContact CB-CB 4.05Å; E267-A344 HydrophobicContact CG-CB 3.93Å; E267-K348 WeakPolarHBondContact OE1-CE 3.13Å; E267-K348 IonicContact OE1-NZ 2.76Å; E267-K348 PolarHBondContact OE1-NZ 3.03Å; E267-K348 WeakPolarHBondContact OE2-CE 3.36Å; E267-K348 IonicContact OE2-NZ 3.35Å; E267-K348 PolarHBondContact OE2-NZ 2.98Å
268	S	97.2	Very high	97	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	148.7	169.9	39.1	0	0	0	0	110.9	F270 W271 N272 E299 F302	S268-F270 PolarHBondContact O-N 3.32Å; S268-F270 VanDerWaalsContact O-N 3.14Å; S268-W271 PolarHBondContact O-N 3.18Å; S268-N272 WeakPolarHBondContact O-CB 3.44Å; S268-N272 PolarHBondContact O-N 3.32Å; S268-E299 WeakPolarHBondContact CB-OE2 3.29Å; S268-E299 PolarHBondContact OG-OE2 2.9Å; S268-F302 WeakPolarHBondContact OG-CE1 3.07Å
269	S	97.7	Very high	96.9	Very high	1 Å²	1	26.6 Å²	26.6	1%	0.007	15%	0.147	C	C	.	.	H	α-helix	trans	-57.1	-28.9	173.1	-67	0	0	0	0	111.9	F273 D274 E332 A333 K335	S269-F273 WeakPolarHBondContact O-CA 3.44Å; S269-F273 WeakPolarHBondContact O-CB 3.02Å; S269-F273 PolarHBondContact O-N 2.99Å; S269-D274 PolarHBondContact O-N 2.89Å; S269-E332 WeakPolarHBondContact CB-O 3.44Å; S269-A333 PolarHBondContact N-O 3.14Å; S269-K335 VanDerWaalsContact CB-O 3.25Å; S269-K335 WeakPolarHBondContact CB-O 3.4Å; S269-K335 PolarHBondContact N-O 3.14Å; S269-K335 PolarHBondContact OG-O 3.21Å
270	F	98.2	Very high	96.9	Very high	0 Å²	0	24 Å²	24	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-54.1	-60	169.4	-179.2	-104.3	0	0	0	112.1	S268 D274 A275 F302 Y306 L307 V310 W328 A333	S268-F270 PolarHBondContact O-N 3.32Å; S268-F270 VanDerWaalsContact O-N 3.14Å; F270-D274 HydrophobicContact CD2-CB 4.04Å; F270-D274 CarbonylContact O-C 3.56Å; F270-D274 PolarHBondContact O-N 3.22Å; F270-D274 VanDerWaalsContact O-N 3.07Å; F270-A275 HydrophobicContact CE1-CB 4.38Å; F270-A275 VanDerWaalsContact O-CB 3.3Å; F270-A275 WeakPolarHBondContact O-CB 3.23Å; F270-A275 PolarHBondContact O-N 2.77Å; F270-F302 HydrophobicContact CB-CD1 4.17Å; F270-F302 HydrophobicContact CB-CE1 3.79Å; F270-F302 HydrophobicContact CB-CZ 4.24Å; F270-F302 AromaticContact CD1-CD1 3.9Å; F270-F302 HydrophobicContact CD1-CD1 3.9Å; F270-F302 HydrophobicContact CD1-CE1 4.32Å; F270-F302 HydrophobicContact CG-CD1 4.15Å; F270-F302 HydrophobicContact CG-CE1 4.28Å; F270-Y306 AromaticContact CE1-CD1 3.82Å; F270-Y306 HydrophobicContact CE1-CD1 3.82Å; F270-Y306 AromaticContact CE1-CE1 3.7Å; F270-Y306 HydrophobicContact CE1-CE1 3.7Å; F270-Y306 AromaticContact CZ-CD1 3.64Å; F270-Y306 HydrophobicContact CZ-CD1 3.64Å; F270-Y306 AromaticContact CZ-CE1 3.58Å; F270-Y306 HydrophobicContact CZ-CE1 3.58Å; F270-Y306 HydrophobicContact CZ-CG 4.45Å; F270-L307 HydrophobicContact CE2-CB 4.3Å; F270-L307 HydrophobicContact CE2-CG 4.23Å; F270-L307 HydrophobicContact CZ-CB 4.41Å; F270-V310 HydrophobicContact CE2-CB 4.01Å; F270-V310 HydrophobicContact CE2-CG1 3.95Å; F270-V310 HydrophobicContact CE2-CG2 4.12Å; F270-V310 HydrophobicContact CZ-CB 4.44Å; F270-V310 HydrophobicContact CZ-CG2 4.08Å; F270-W328 HydrophobicContact CD2-CZ2 4.32Å; F270-A333 HydrophobicContact CB-CB 4.09Å; F270-A333 HydrophobicContact CD2-CB 4.41Å; F270-A333 PolarHBondContact N-O 3.2Å
271	W	97.8	Very high	96.7	Very high	18 Å²	18	29.7 Å²	29.7	7%	0.068	17%	0.166	C	C	.	.	H	α-helix	trans	-72.8	-33.6	-177.6	-75.9	114.6	0	0	0	113.2	E267 S268 A275 P303 Y306 A347 K348 Y351	E267-W271 HydrophobicContact CG-CB 3.86Å; E267-W271 WeakPolarHBondContact OE1-CB 3.36Å; S268-W271 PolarHBondContact O-N 3.18Å; W271-A275 HydrophobicContact CE3-CB 3.88Å; W271-A275 HydrophobicContact CZ3-CB 4.29Å; W271-P303 HydrophobicContact CZ2-CG 4.25Å; W271-Y306 AromaticContact CH2-CD1 3.94Å; W271-Y306 HydrophobicContact CH2-CD1 3.94Å; W271-Y306 AromaticContact CH2-CE1 3.62Å; W271-Y306 HydrophobicContact CH2-CE1 3.62Å; W271-Y306 HydrophobicContact CZ2-CD1 4.49Å; W271-Y306 HydrophobicContact CZ2-CE1 4.44Å; W271-Y306 AromaticContact CZ3-CE1 3.73Å; W271-Y306 HydrophobicContact CZ3-CE1 3.73Å; W271-A347 HydrophobicContact CE3-CB 4.17Å; W271-A347 HydrophobicContact CZ3-CB 4.41Å; W271-K348 HydrophobicContact CD2-CD 4.36Å; W271-K348 HydrophobicContact CD2-CG 3.62Å; W271-K348 HydrophobicContact CE3-CG 3.56Å; W271-K348 HydrophobicContact CG-CD 4.4Å; W271-K348 HydrophobicContact CG-CG 4.11Å; W271-K348 HydrophobicContact CH2-CG 4.38Å; W271-K348 HydrophobicContact CZ2-CG 4.41Å; W271-K348 HydrophobicContact CZ3-CG 3.96Å; W271-Y351 AromaticContact CH2-CD1 3.58Å; W271-Y351 HydrophobicContact CH2-CD1 3.58Å; W271-Y351 HydrophobicContact CH2-CE1 4.25Å; W271-Y351 AromaticContact CH2-CG 3.77Å; W271-Y351 HydrophobicContact CH2-CG 3.77Å; W271-Y351 HydrophobicContact CZ2-CD1 4.26Å; W271-Y351 HydrophobicContact CZ3-CG 4.43Å
272	N	97.5	Very high	96.7	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-75.4	-29.4	-178.7	-161.6	87.1	0	0	0	112.7	E267 S268 V337 R339 T340 H341 A344	E267-N272 HydrophobicContact CB-CB 4.33Å; E267-N272 HydrophobicContact CG-CB 3.84Å; S268-N272 WeakPolarHBondContact O-CB 3.44Å; S268-N272 PolarHBondContact O-N 3.32Å; N272-V337 HydrophobicContact CB-CG2 4.09Å; N272-R339 WeakPolarHBondContact OD1-CA 3.34Å; N272-T340 PolarHBondContact ND2-OG1 3.28Å; N272-T340 PolarHBondContact OD1-N 2.76Å; N272-H341 PolarHBondContact O-CE1 3Å; N272-A344 HydrophobicContact CB-CB 4.37Å
273	F	98.1	Very high	96.6	Very high	1 Å²	1	30.9 Å²	30.9	0%	0.004	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-131.6	-58.9	-174.4	-54.6	-64.3	0	0	0	113.4	S269 A275 L276 F277 Q278 R285 T290 V337 T340	S269-F273 WeakPolarHBondContact O-CA 3.44Å; S269-F273 WeakPolarHBondContact O-CB 3.02Å; S269-F273 PolarHBondContact O-N 2.99Å; F273-A275 PolarHBondContact O-N 3.45Å; F273-L276 CarbonylContact O-C 3.55Å; F273-L276 WeakPolarHBondContact O-CA 3.41Å; F273-L276 WeakPolarHBondContact O-CB 3.3Å; F273-L276 PolarHBondContact O-N 3.33Å; F273-F277 PolarHBondContact O-N 3.37Å; F273-Q278 HydrophobicContact CB-CB 4.34Å; F273-Q278 WeakPolarHBondContact O-CB 3.29Å; F273-Q278 PolarHBondContact O-N 3.05Å; F273-Q278 VanDerWaalsContact O-N 3.16Å; F273-R285 HydrophobicContact CB-CG 4.36Å; F273-R285 HydrophobicContact CD1-CG 4Å; F273-R285 HydrophobicContact CD2-CG 3.8Å; F273-R285 HydrophobicContact CE1-CG 4.12Å; F273-R285 HydrophobicContact CE2-CG 3.96Å; F273-R285 HydrophobicContact CG-CG 3.8Å; F273-R285 HydrophobicContact CZ-CG 4.1Å; F273-T290 HydrophobicContact CE2-CG2 4.5Å; F273-T290 HydrophobicContact CZ-CG2 4.25Å; F273-V337 HydrophobicContact CE2-CG1 4.5Å; F273-V337 HydrophobicContact CE2-CG2 4.29Å; F273-T340 HydrophobicContact CZ-CG2 4.08Å
274	D	98.1	Very high	96.5	Very high	1 Å²	1	26.5 Å²	26.5	1%	0.005	14%	0.141	C	C	.	.	G	3₁₀ helix	trans	-65	-42	-169.7	-60.4	-72.1	0	0	0	112.2	S269 F270 L276 F277 Q280 R285 V310 H314 W328 A333	S269-D274 PolarHBondContact O-N 2.89Å; F270-D274 HydrophobicContact CD2-CB 4.04Å; F270-D274 CarbonylContact O-C 3.56Å; F270-D274 PolarHBondContact O-N 3.22Å; F270-D274 VanDerWaalsContact O-N 3.07Å; D274-L276 PolarHBondContact O-N 3.4Å; D274-L276 VanDerWaalsContact O-N 3.15Å; D274-F277 PolarHBondContact O-N 3.44Å; D274-Q280 VanDerWaalsContact OD1-CG 3.29Å; D274-Q280 WeakPolarHBondContact OD1-CG 3.33Å; D274-Q280 PolarHBondContact OD1-NE2 3.49Å; D274-R285 VanDerWaalsContact CG-NH1 3.26Å; D274-R285 IonicContact OD1-CZ 3.51Å; D274-R285 IonicContact OD1-NH1 2.88Å; D274-R285 PolarHBondContact OD1-NH1 3.08Å; D274-R285 IonicContact OD1-NH2 2.75Å; D274-R285 IonicContact OD2-CZ 3.53Å; D274-R285 IonicContact OD2-NH1 3.29Å; D274-R285 PolarHBondContact OD2-NH1 3.13Å; D274-R285 IonicContact OD2-NH2 3.9Å; D274-R285 PolarHBondContact OD2-NH2 3.35Å; D274-V310 HydrophobicContact CB-CG1 4.18Å; D274-H314 PolarHBondContact O-NE2 2.78Å; D274-W328 HydrophobicContact CB-CZ2 4.21Å; D274-W328 PolarHBondContact OD1-NE1 2.79Å; D274-A333 WeakPolarHBondContact OD2-CB 3.46Å
275	A	97.9	Very high	96.6	Very high	2 Å²	2	25.2 Å²	25.2	2%	0.017	13%	0.134	C	C	.	.	G	3₁₀ helix	trans	-63.2	-18	176	0	0	0	0	0	113.2	F270 W271 F273 Y306 A347	F270-A275 HydrophobicContact CE1-CB 4.38Å; F270-A275 VanDerWaalsContact O-CB 3.3Å; F270-A275 WeakPolarHBondContact O-CB 3.23Å; F270-A275 PolarHBondContact O-N 2.77Å; W271-A275 HydrophobicContact CE3-CB 3.88Å; W271-A275 HydrophobicContact CZ3-CB 4.29Å; F273-A275 PolarHBondContact O-N 3.45Å; A275-Y306 HydrophobicContact CB-CE1 4.29Å; A275-Y306 PolarHBondContact O-OH 3.34Å; A275-A347 HydrophobicContact CB-CB 4.42Å
276	L	98	Very high	96.4	Very high	1 Å²	1	24 Å²	24	1%	0.005	14%	0.135	C	C	.	.	G	3₁₀ helix	trans	-99.3	15.9	175.5	-67	175.6	0	0	0	111.7	F273 D274 Q278 T343 A347 Y426 F452 V456	F273-L276 CarbonylContact O-C 3.55Å; F273-L276 WeakPolarHBondContact O-CA 3.41Å; F273-L276 WeakPolarHBondContact O-CB 3.3Å; F273-L276 PolarHBondContact O-N 3.33Å; D274-L276 PolarHBondContact O-N 3.4Å; D274-L276 VanDerWaalsContact O-N 3.15Å; L276-Q278 PolarHBondContact O-N 3.25Å; L276-T343 HydrophobicContact CD1-CG2 3.81Å; L276-T343 HydrophobicContact CD2-CG2 3.89Å; L276-A347 HydrophobicContact CD2-CB 3.82Å; L276-A347 HydrophobicContact CG-CB 4.27Å; L276-Y426 HydrophobicContact CB-CD1 4.39Å; L276-Y426 HydrophobicContact CB-CG 4.49Å; L276-Y426 WeakPolarHBondContact O-CB 3.4Å; L276-F452 HydrophobicContact CD2-CE1 3.9Å; L276-V456 HydrophobicContact CD2-CG1 4.35Å; L276-V456 WeakPolarHBondContact O-CG2 3.23Å
277	F	98	Very high	95.9	Very high	4 Å²	4	24.7 Å²	24.7	2%	0.018	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.7	26.5	-179.4	-160.8	-115	0	0	0	113.4	F273 D274 V313 H314 Y324 E455 V456	F273-F277 PolarHBondContact O-N 3.37Å; D274-F277 PolarHBondContact O-N 3.44Å; F277-V313 HydrophobicContact CD2-CG1 4.12Å; F277-V313 HydrophobicContact CE2-CG1 4.11Å; F277-V313 HydrophobicContact CE2-CG2 4.03Å; F277-H314 WeakPolarHBondContact CA-NE2 3.44Å; F277-H314 AromaticContact CD2-CD2 3.82Å; F277-H314 AromaticContact CD2-NE2 3.79Å; F277-Y324 AromaticContact CD1-CE2 3.75Å; F277-Y324 HydrophobicContact CD1-CE2 3.75Å; F277-Y324 AromaticContact CD1-CZ 3.93Å; F277-Y324 HydrophobicContact CD2-CE2 4Å; F277-Y324 HydrophobicContact CE1-CD2 4.31Å; F277-Y324 AromaticContact CE1-CE2 3.53Å; F277-Y324 HydrophobicContact CE1-CE2 3.53Å; F277-Y324 AromaticContact CE1-CZ 3.69Å; F277-Y324 HydrophobicContact CE2-CD2 4.04Å; F277-Y324 AromaticContact CE2-CE2 3.78Å; F277-Y324 HydrophobicContact CE2-CE2 3.78Å; F277-Y324 AromaticContact CG-CE2 3.99Å; F277-Y324 HydrophobicContact CG-CE2 3.99Å; F277-Y324 AromaticContact CZ-CD2 3.9Å; F277-Y324 HydrophobicContact CZ-CD2 3.9Å; F277-Y324 AromaticContact CZ-CE2 3.55Å; F277-Y324 HydrophobicContact CZ-CE2 3.55Å; F277-Y324 WeakPolarHBondContact O-CE2 3.47Å; F277-Y324 PolarHBondContact O-OH 3.49Å; F277-E455 HydrophobicContact CB-CB 4.35Å; F277-E455 HydrophobicContact CD1-CB 3.7Å; F277-E455 HydrophobicContact CD1-CG 4.3Å; F277-E455 HydrophobicContact CD2-CB 3.57Å; F277-E455 HydrophobicContact CD2-CG 4.46Å; F277-E455 HydrophobicContact CE1-CB 3.74Å; F277-E455 HydrophobicContact CE1-CG 3.85Å; F277-E455 HydrophobicContact CE2-CB 3.64Å; F277-E455 HydrophobicContact CE2-CG 4.05Å; F277-E455 HydrophobicContact CG-CB 3.6Å; F277-E455 HydrophobicContact CZ-CB 3.71Å; F277-E455 HydrophobicContact CZ-CG 3.71Å; F277-V456 HydrophobicContact CB-CG2 3.59Å
278	Q	97.4	Very high	95.5	Very high	6 Å²	6	32.3 Å²	32.3	3%	0.028	18%	0.182	C	C	.	.			trans	-87	123.8	170.7	-174.7	176.1	-53.9	0	0	109	F273 L276 H282 H314 P425	F273-Q278 HydrophobicContact CB-CB 4.34Å; F273-Q278 WeakPolarHBondContact O-CB 3.29Å; F273-Q278 PolarHBondContact O-N 3.05Å; F273-Q278 VanDerWaalsContact O-N 3.16Å; L276-Q278 PolarHBondContact O-N 3.25Å; Q278-H282 HydrophobicContact CG-CB 3.78Å; Q278-H282 PolarHBondContact NE2-ND1 3.43Å; Q278-H314 PolarHBondContact O-CE1 3.37Å; Q278-P425 HydrophobicContact CB-CB 4.21Å; Q278-P425 HydrophobicContact CG-CB 4.17Å; Q278-P425 HydrophobicContact CG-CG 4.22Å
279	P	96.9	Very high	95.2	Very high	10 Å²	10	35.4 Å²	35.4	7%	0.065	20%	0.198	C	C	.	.			trans	-68.9	155.2	-170.3	27.5	-32.7	0	0	0	112	N281 H282 R285 Y324 Y326	P279-N281 VanDerWaalsContact C-N 3.27Å; P279-N281 WeakPolarHBondContact CB-OD1 3.16Å; P279-N281 PolarHBondContact O-N 3.12Å; P279-H282 HydrophobicContact CG-CB 4.11Å; P279-H282 WeakPolarHBondContact O-CB 3.44Å; P279-H282 PolarHBondContact O-N 2.99Å; P279-H282 VanDerWaalsContact O-N 3.1Å; P279-R285 WeakPolarHBondContact O-CD 3.41Å; P279-Y324 HydrophobicContact CB-CD1 4.13Å; P279-Y324 HydrophobicContact CB-CD2 3.86Å; P279-Y324 HydrophobicContact CB-CE1 4.19Å; P279-Y324 HydrophobicContact CB-CE2 3.92Å; P279-Y324 HydrophobicContact CB-CG 3.97Å; P279-Y324 HydrophobicContact CG-CD1 4.3Å; P279-Y324 HydrophobicContact CG-CE1 3.95Å; P279-Y324 HydrophobicContact CG-CE2 4.24Å; P279-Y326 HydrophobicContact CB-CE1 4.39Å
280	Q	96.8	Very high	95.1	Very high	23 Å²	23	35.5 Å²	35.5	11%	0.107	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-23.7	-176.3	-77.7	178.5	-10.2	0	0	114.7	D274 H282 Y326 W328 K329 E332	D274-Q280 VanDerWaalsContact OD1-CG 3.29Å; D274-Q280 WeakPolarHBondContact OD1-CG 3.33Å; D274-Q280 PolarHBondContact OD1-NE2 3.49Å; Q280-H282 VanDerWaalsContact C-N 3.31Å; Q280-Y326 HydrophobicContact CB-CE2 3.75Å; Q280-Y326 WeakPolarHBondContact CB-OH 3.31Å; Q280-Y326 HydrophobicContact CG-CE2 4.17Å; Q280-Y326 VanDerWaalsContact CG-OH 3.23Å; Q280-Y326 WeakPolarHBondContact CG-OH 3.24Å; Q280-Y326 PolarHBondContact N-OH 3.02Å; Q280-Y326 VanDerWaalsContact N-OH 3.14Å; Q280-W328 VanDerWaalsContact NE2-NE1 3.12Å; Q280-K329 PolarHBondContact NE2-O 3.33Å; Q280-E332 HydrophobicContact CG-CB 4.26Å
281	N	93.9	Very high	95	Very high	127 Å²	127	38.4 Å²	38.4	68%	0.679	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.9	11.9	174.6	66.3	-18.9	0	0	0	113.2	P279	P279-N281 VanDerWaalsContact C-N 3.27Å; P279-N281 WeakPolarHBondContact CB-OD1 3.16Å; P279-N281 PolarHBondContact O-N 3.12Å
282	H	94.2	Very high	95	Very high	43 Å²	43	41.2 Å²	41.2	20%	0.199	22%	0.224	C	C	.	.			trans	-68.4	132	179.9	-169.7	-81.9	0	0	0	110.8	Q278 P279 Q280 A284 R285	Q278-H282 HydrophobicContact CG-CB 3.78Å; Q278-H282 PolarHBondContact NE2-ND1 3.43Å; P279-H282 HydrophobicContact CG-CB 4.11Å; P279-H282 WeakPolarHBondContact O-CB 3.44Å; P279-H282 PolarHBondContact O-N 2.99Å; P279-H282 VanDerWaalsContact O-N 3.1Å; Q280-H282 VanDerWaalsContact C-N 3.31Å; H282-A284 VanDerWaalsContact ND1-CB 3.29Å; H282-A284 WeakPolarHBondContact ND1-CB 3.18Å; H282-A284 PolarHBondContact ND1-N 3.27Å; H282-A284 VanDerWaalsContact ND1-N 3.12Å; H282-A284 PolarHBondContact O-N 3.22Å; H282-A284 VanDerWaalsContact O-N 3.1Å; H282-R285 WeakPolarHBondContact O-CB 3.15Å; H282-R285 PolarHBondContact O-N 3.49Å
283	P	94	Very high	94.8	Very high	76 Å²	76	42.4 Å²	42.4	49%	0.494	23%	0.232	S	C	.	.	G	3₁₀ helix	trans	-53.3	-36.9	-176.7	-28.4	34.4	0	0	0	114.2	R285 D286	P283-R285 PolarHBondContact O-N 3.08Å; P283-D286 VanDerWaalsContact O-CB 3.23Å; P283-D286 WeakPolarHBondContact O-CB 3.44Å; P283-D286 PolarHBondContact O-N 2.74Å
284	A	92.2	Very high	94.7	Very high	33 Å²	33	47.7 Å²	47.7	27%	0.273	27%	0.269	S	S	.	.	G	3₁₀ helix	trans	-59.5	-13	176.8	0	0	0	0	0	114.8	H282 T290	H282-A284 VanDerWaalsContact ND1-CB 3.29Å; H282-A284 WeakPolarHBondContact ND1-CB 3.18Å; H282-A284 PolarHBondContact ND1-N 3.27Å; H282-A284 VanDerWaalsContact ND1-N 3.12Å; H282-A284 PolarHBondContact O-N 3.22Å; H282-A284 VanDerWaalsContact O-N 3.1Å; A284-T290 PolarHBondContact O-OG1 3.41Å
285	R	93.6	Very high	94.5	Very high	12 Å²	12	54 Å²	54	5%	0.045	30%	0.303	C	S	.	.	G	3₁₀ helix	trans	-89.4	-4.5	173	-60.3	-177.6	73.8	152.5	-0.9	112.8	F273 D274 P279 H282 P283 F292 E332	F273-R285 HydrophobicContact CB-CG 4.36Å; F273-R285 HydrophobicContact CD1-CG 4Å; F273-R285 HydrophobicContact CD2-CG 3.8Å; F273-R285 HydrophobicContact CE1-CG 4.12Å; F273-R285 HydrophobicContact CE2-CG 3.96Å; F273-R285 HydrophobicContact CG-CG 3.8Å; F273-R285 HydrophobicContact CZ-CG 4.1Å; D274-R285 VanDerWaalsContact CG-NH1 3.26Å; D274-R285 IonicContact OD1-CZ 3.51Å; D274-R285 IonicContact OD1-NH1 2.88Å; D274-R285 PolarHBondContact OD1-NH1 3.08Å; D274-R285 IonicContact OD1-NH2 2.75Å; D274-R285 IonicContact OD2-CZ 3.53Å; D274-R285 IonicContact OD2-NH1 3.29Å; D274-R285 PolarHBondContact OD2-NH1 3.13Å; D274-R285 IonicContact OD2-NH2 3.9Å; D274-R285 PolarHBondContact OD2-NH2 3.35Å; P279-R285 WeakPolarHBondContact O-CD 3.41Å; H282-R285 WeakPolarHBondContact O-CB 3.15Å; H282-R285 PolarHBondContact O-N 3.49Å; P283-R285 PolarHBondContact O-N 3.08Å; R285-F292 WeakPolarHBondContact O-CE2 3.35Å; R285-F292 WeakPolarHBondContact O-CZ 3.42Å; R285-E332 PolarHBondContact NH2-O 2.76Å
286	D	92.3	Very high	94.3	Very high	88 Å²	88	57.2 Å²	57.2	47%	0.471	32%	0.323	S	S	.	.	S	Bend	trans	-71	151	178.5	-70.4	-26	0	0	0	110.8	P283 Q288 D289 T290	P283-D286 VanDerWaalsContact O-CB 3.23Å; P283-D286 WeakPolarHBondContact O-CB 3.44Å; P283-D286 PolarHBondContact O-N 2.74Å; D286-Q288 PolarHBondContact O-N 2.91Å; D286-D289 PolarHBondContact O-N 3.16Å; D286-T290 PolarHBondContact O-N 2.88Å
287	A	88.1	Confident	94.1	Very high	69 Å²	69	60.3 Å²	60.3	57%	0.57	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.3	-15.3	177.9	0	0	0	0	0	113.3	D289 F292 N373	A287-D289 VanDerWaalsContact C-N 3.34Å; A287-F292 HydrophobicContact CB-CD2 4.37Å; A287-F292 HydrophobicContact CB-CE2 4.44Å; A287-N373 PolarHBondContact O-ND2 2.99Å
288	Q	87.7	Confident	94	Very high	163 Å²	163	64.5 Å²	64.5	76%	0.762	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.5	-23.8	173.1	-64.2	-176.4	17.3	0	0	112.6	D286	D286-Q288 PolarHBondContact O-N 2.91Å
289	D	91.4	Very high	93.8	Very high	65 Å²	65	67.1 Å²	67.1	35%	0.348	38%	0.378	S	S	.	.	T	Hydrogen-bonded Turn	trans	-112.1	-27.8	-176.8	-69.4	-62.2	0	0	0	112.9	D286 A287 N373	D286-D289 PolarHBondContact O-N 3.16Å; A287-D289 VanDerWaalsContact C-N 3.34Å; D289-N373 PolarHBondContact O-N 2.63Å
290	T	95.4	Very high	93.6	Very high	3 Å²	3	71.9 Å²	71.9	2%	0.018	41%	0.407	C	S	.	.	S	Bend	trans	-120.2	135.5	-174.9	-68.9	0	0	0	0	112.5	F273 A284 D286 F292 V337 T340	F273-T290 HydrophobicContact CE2-CG2 4.5Å; F273-T290 HydrophobicContact CZ-CG2 4.25Å; A284-T290 PolarHBondContact O-OG1 3.41Å; D286-T290 PolarHBondContact O-N 2.88Å; T290-F292 HydrophobicContact CG2-CD2 4.48Å; T290-F292 HydrophobicContact CG2-CE2 4.25Å; T290-F292 WeakPolarHBondContact O-CD2 3.35Å; T290-F292 PolarHBondContact O-N 2.71Å; T290-V337 HydrophobicContact CG2-CB 3.68Å; T290-V337 HydrophobicContact CG2-CG1 3.55Å; T290-V337 HydrophobicContact CG2-CG2 4.4Å; T290-T340 HydrophobicContact CG2-CG2 3.79Å; T290-T340 WeakPolarHBondContact OG1-CG2 3.35Å
291	F	96.4	Very high	93.5	Very high	61 Å²	61	77.1 Å²	77.1	27%	0.268	44%	0.436	S	S	.	.			trans	-79.8	107.7	170.2	-66.2	-63.3	0	0	0	110.8	V337 L338 F371 R372 N373 A382	F291-V337 CarbonylContact O-C 3.56Å; F291-V337 VanDerWaalsContact O-CA 3.31Å; F291-V337 WeakPolarHBondContact O-CA 3.33Å; F291-L338 HydrophobicContact CB-CB 4.14Å; F291-L338 HydrophobicContact CB-CD1 3.87Å; F291-L338 HydrophobicContact CB-CG 4.07Å; F291-L338 HydrophobicContact CD2-CD1 4.27Å; F291-L338 HydrophobicContact CG-CD1 4.3Å; F291-L338 PolarHBondContact O-N 3.4Å; F291-F371 HydrophobicContact CD2-CB 4.02Å; F291-R372 VanDerWaalsContact CE2-C 3.43Å; F291-R372 VanDerWaalsContact CE2-O 3.24Å; F291-R372 WeakPolarHBondContact CE2-O 3.26Å; F291-N373 HydrophobicContact CD1-CB 3.97Å; F291-N373 HydrophobicContact CD2-CB 4.35Å; F291-N373 HydrophobicContact CE1-CB 3.73Å; F291-N373 VanDerWaalsContact CE1-CG 3.41Å; F291-N373 WeakPolarHBondContact CE1-OD1 3.47Å; F291-N373 HydrophobicContact CE2-CB 4.15Å; F291-N373 HydrophobicContact CG-CB 4.28Å; F291-N373 HydrophobicContact CZ-CB 3.83Å; F291-N373 WeakPolarHBondContact CZ-OD1 3.4Å; F291-A382 HydrophobicContact CE2-CB 4.23Å; F291-A382 HydrophobicContact CZ-CB 4.24Å
292	F	96.1	Very high	93.5	Very high	77 Å²	77	72 Å²	72	34%	0.338	41%	0.408	S	S	.	.	B	Isolated β-bridge	trans	-78.9	143.6	170.3	-72.3	-90.2	0	0	0	111.2	R285 A287 T290 K335 V337	R285-F292 WeakPolarHBondContact O-CE2 3.35Å; R285-F292 WeakPolarHBondContact O-CZ 3.42Å; A287-F292 HydrophobicContact CB-CD2 4.37Å; A287-F292 HydrophobicContact CB-CE2 4.44Å; T290-F292 HydrophobicContact CG2-CD2 4.48Å; T290-F292 HydrophobicContact CG2-CE2 4.25Å; T290-F292 WeakPolarHBondContact O-CD2 3.35Å; T290-F292 PolarHBondContact O-N 2.71Å; F292-K335 HydrophobicContact CD1-CB 4.1Å; F292-K335 HydrophobicContact CD1-CD 4.27Å; F292-K335 HydrophobicContact CE1-CB 4.01Å; F292-K335 HydrophobicContact CE1-CD 3.88Å; F292-V337 HydrophobicContact CD1-CG1 3.57Å; F292-V337 HydrophobicContact CE1-CG1 3.6Å; F292-V337 HydrophobicContact CG-CG1 4.16Å; F292-V337 HydrophobicContact CZ-CG1 4.21Å
293	V	95.2	Very high	93.6	Very high	25 Å²	25	71.8 Å²	71.8	15%	0.152	41%	0.41	C	S	.	.			trans	-88.9	131.2	-179.9	179.6	0	0	0	0	109.4	V266 D295 P296 P297 N336 L338	V266-V293 HydrophobicContact CG1-CG2 4.04Å; V266-V293 HydrophobicContact CG2-CG2 4.1Å; V293-D295 VanDerWaalsContact CG1-C 3.48Å; V293-D295 VanDerWaalsContact CG1-O 3.31Å; V293-D295 WeakPolarHBondContact CG1-O 3.25Å; V293-P296 WeakPolarHBondContact CG1-O 3.22Å; V293-P297 WeakPolarHBondContact O-CA 3.31Å; V293-N336 HydrophobicContact CB-CB 3.96Å; V293-N336 HydrophobicContact CG2-CB 4.29Å; V293-N336 PolarHBondContact N-O 3.28Å; V293-L338 HydrophobicContact CG2-CD2 4.25Å; V293-L338 HydrophobicContact CG2-CG 4.48Å
294	S	94.7	Very high	93.7	Very high	112 Å²	112	73.6 Å²	73.6	78%	0.783	41%	0.411	S	S	*	.	S	Bend	trans	-84.5	-29.8	175	57.9	0	0	0	0	113.1	P297	S294-P297 WeakPolarHBondContact O-CD 3.32Å
295	D	94.3	Very high	93.8	Very high	135 Å²	135	79 Å²	79	72%	0.722	43%	0.431	S	S	*	.	S	Bend	trans	-149.8	115.3	179.2	-174.3	20	0	0	0	110.5	V293	V293-D295 VanDerWaalsContact CG1-C 3.48Å; V293-D295 VanDerWaalsContact CG1-O 3.31Å; V293-D295 WeakPolarHBondContact CG1-O 3.25Å
296	P	92.8	Very high	94	Very high	69 Å²	69	78.5 Å²	78.5	45%	0.448	43%	0.429	S	S	.	.	S	Bend	cis	-75.5	129.9	-6.3	30.1	-32.6	0	0	0	111.3	V293 L298 N336	V293-P296 WeakPolarHBondContact CG1-O 3.22Å; P296-L298 PolarHBondContact O-N 3.26Å; P296-N336 WeakPolarHBondContact O-CB 3.42Å; P296-N336 PolarHBondContact O-ND2 3.09Å
297	P	94.1	Very high	94.3	Very high	66 Å²	66	74.5 Å²	74.5	43%	0.429	41%	0.408	S	S	.	.			trans	-75.6	-26.4	-173.7	29.7	-34.3	0	0	0	113.9	V293 S294 N336	V293-P297 WeakPolarHBondContact O-CA 3.31Å; S294-P297 WeakPolarHBondContact O-CD 3.32Å; P297-N336 PolarHBondContact O-N 2.95Å
298	L	96.2	Very high	94.7	Very high	92 Å²	92	75.2 Å²	75.2	48%	0.482	40%	0.4	S	S	.	.	B	Isolated β-bridge	trans	-131.6	143.6	-172.6	-56.8	174.2	0	0	0	111.1	P296 Q334 K335 N336	P296-L298 PolarHBondContact O-N 3.26Å; L298-Q334 CarbonylContact C-O 3.57Å; L298-Q334 WeakPolarHBondContact CA-O 3.34Å; L298-Q334 HydrophobicContact CD2-CB 4.03Å; L298-K335 HydrophobicContact CD2-CG 4.31Å; L298-N336 PolarHBondContact O-ND2 2.85Å
299	E	94.3	Very high	95.2	Very high	60 Å²	60	70.7 Å²	70.7	28%	0.28	38%	0.375	S	S	.	.			trans	-108.7	137.5	162.8	-178.8	168.2	-144.6	0	0	108.6	S268 F302 Q334 N336	S268-E299 WeakPolarHBondContact CB-OE2 3.29Å; S268-E299 PolarHBondContact OG-OE2 2.9Å; E299-F302 HydrophobicContact CB-CE1 4.27Å; E299-F302 HydrophobicContact CB-CZ 3.97Å; E299-F302 HydrophobicContact CG-CE1 3.91Å; E299-F302 HydrophobicContact CG-CZ 4.01Å; E299-F302 WeakPolarHBondContact O-CE2 3.45Å; E299-F302 WeakPolarHBondContact O-CZ 3.49Å; E299-Q334 PolarHBondContact N-O 3.33Å; E299-Q334 WeakPolarHBondContact O-CG 3.31Å; E299-N336 WeakPolarHBondContact CB-OD1 3.34Å
300	T	92.5	Very high	95.5	Very high	110 Å²	110	67.7 Å²	67.7	68%	0.675	36%	0.36	S	S	*	.			trans	-121.7	-7.6	-179.6	54.2	0	0	0	0	113.1	F302	T300-F302 PolarHBondContact O-N 2.83Å
301	D	93.5	Very high	95.7	Very high	134 Å²	134	71.6 Å²	71.6	72%	0.717	38%	0.376	S	S	*	.			trans	-90.9	91.8	179.6	-173	19.6	0	0	0	110.4
302	F	94.6	Very high	95.7	Very high	20 Å²	20	72.4 Å²	72.4	9%	0.088	38%	0.382	C	S	.	.			trans	-120.7	150.9	175.6	-54.6	-63.4	0	0	0	111	S268 F270 E299 T300 E304 L307 Q334	S268-F302 WeakPolarHBondContact OG-CE1 3.07Å; F270-F302 HydrophobicContact CB-CD1 4.17Å; F270-F302 HydrophobicContact CB-CE1 3.79Å; F270-F302 HydrophobicContact CB-CZ 4.24Å; F270-F302 AromaticContact CD1-CD1 3.9Å; F270-F302 HydrophobicContact CD1-CD1 3.9Å; F270-F302 HydrophobicContact CD1-CE1 4.32Å; F270-F302 HydrophobicContact CG-CD1 4.15Å; F270-F302 HydrophobicContact CG-CE1 4.28Å; E299-F302 HydrophobicContact CB-CE1 4.27Å; E299-F302 HydrophobicContact CB-CZ 3.97Å; E299-F302 HydrophobicContact CG-CE1 3.91Å; E299-F302 HydrophobicContact CG-CZ 4.01Å; E299-F302 WeakPolarHBondContact O-CE2 3.45Å; E299-F302 WeakPolarHBondContact O-CZ 3.49Å; T300-F302 PolarHBondContact O-N 2.83Å; F302-E304 PolarHBondContact O-N 3.11Å; F302-L307 HydrophobicContact CB-CD1 3.68Å; F302-L307 HydrophobicContact CD2-CD1 3.65Å; F302-L307 HydrophobicContact CG-CD1 3.85Å; F302-Q334 HydrophobicContact CE2-CG 3.87Å; F302-Q334 HydrophobicContact CZ-CG 4.49Å
303	P	95.5	Very high	95.8	Very high	38 Å²	38	68.8 Å²	68.8	25%	0.247	37%	0.366	C	S	.	.			trans	-67.9	100.3	169.9	-10.2	24.6	0	0	0	110	W271 E305 Y306 L307 Y351	W271-P303 HydrophobicContact CZ2-CG 4.25Å; P303-E305 VanDerWaalsContact C-N 3.33Å; P303-E305 PolarHBondContact O-N 3.37Å; P303-Y306 WeakPolarHBondContact O-CA 3.44Å; P303-Y306 WeakPolarHBondContact O-CB 3.46Å; P303-Y306 PolarHBondContact O-N 2.89Å; P303-L307 PolarHBondContact O-N 3.13Å; P303-Y351 HydrophobicContact CB-CE1 4.07Å; P303-Y351 WeakPolarHBondContact CB-OH 3.18Å; P303-Y351 HydrophobicContact CG-CE1 3.62Å
304	E	95.7	Very high	95.9	Very high	113 Å²	113	67.7 Å²	67.7	53%	0.528	36%	0.359	S	S	.	.	H	α-helix	trans	-50.9	-47.4	-169.9	-174.7	57.8	-150.7	0	0	113.3	F302 Y306 L307 Q308	F302-E304 PolarHBondContact O-N 3.11Å; E304-Y306 VanDerWaalsContact C-N 3.3Å; E304-Y306 PolarHBondContact O-N 3.1Å; E304-L307 PolarHBondContact O-N 3.14Å; E304-Q308 WeakPolarHBondContact O-CG 3.39Å; E304-Q308 PolarHBondContact O-N 2.95Å; E304-Q308 PolarHBondContact OE1-NE2 3.48Å
305	E	96	Very high	96	Very high	148 Å²	148	63.5 Å²	63.5	69%	0.692	33%	0.33	S	S	*	.	H	α-helix	trans	-61.7	-37.6	178.9	-62.6	-175.5	174.4	0	0	112.9	P303 R309	P303-E305 VanDerWaalsContact C-N 3.33Å; P303-E305 PolarHBondContact O-N 3.37Å; E305-R309 WeakPolarHBondContact O-CG 3.28Å; E305-R309 PolarHBondContact O-N 3.45Å; E305-R309 PolarHBondContact O-NH1 3.43Å; E305-R309 IonicContact OE2-NH1 3.25Å
306	Y	97.7	Very high	96.1	Very high	0 Å²	0	62.4 Å²	62.4	0%	0	33%	0.328	C	S	.	.	H	α-helix	trans	-71.2	-43.6	177.6	177.7	-133.8	0	0	0	110.6	F270 W271 A275 P303 E304 Q308 R309 V310 Y351 P459 M460	F270-Y306 AromaticContact CE1-CD1 3.82Å; F270-Y306 HydrophobicContact CE1-CD1 3.82Å; F270-Y306 AromaticContact CE1-CE1 3.7Å; F270-Y306 HydrophobicContact CE1-CE1 3.7Å; F270-Y306 AromaticContact CZ-CD1 3.64Å; F270-Y306 HydrophobicContact CZ-CD1 3.64Å; F270-Y306 AromaticContact CZ-CE1 3.58Å; F270-Y306 HydrophobicContact CZ-CE1 3.58Å; F270-Y306 HydrophobicContact CZ-CG 4.45Å; W271-Y306 AromaticContact CH2-CD1 3.94Å; W271-Y306 HydrophobicContact CH2-CD1 3.94Å; W271-Y306 AromaticContact CH2-CE1 3.62Å; W271-Y306 HydrophobicContact CH2-CE1 3.62Å; W271-Y306 HydrophobicContact CZ2-CD1 4.49Å; W271-Y306 HydrophobicContact CZ2-CE1 4.44Å; W271-Y306 AromaticContact CZ3-CE1 3.73Å; W271-Y306 HydrophobicContact CZ3-CE1 3.73Å; A275-Y306 HydrophobicContact CB-CE1 4.29Å; A275-Y306 PolarHBondContact O-OH 3.34Å; P303-Y306 WeakPolarHBondContact O-CA 3.44Å; P303-Y306 WeakPolarHBondContact O-CB 3.46Å; P303-Y306 PolarHBondContact O-N 2.89Å; E304-Y306 VanDerWaalsContact C-N 3.3Å; E304-Y306 PolarHBondContact O-N 3.1Å; Y306-Q308 VanDerWaalsContact C-N 3.32Å; Y306-Q308 PolarHBondContact O-N 2.76Å; Y306-R309 PolarHBondContact O-N 3.36Å; Y306-R309 VanDerWaalsContact O-N 3.15Å; Y306-V310 HydrophobicContact CD2-CG2 3.89Å; Y306-V310 HydrophobicContact CE1-CG2 4.22Å; Y306-V310 HydrophobicContact CE2-CG2 3.45Å; Y306-V310 VanDerWaalsContact CE2-CG2 3.45Å; Y306-V310 HydrophobicContact CG-CG2 4.45Å; Y306-V310 WeakPolarHBondContact O-CG2 3.27Å; Y306-V310 PolarHBondContact O-N 3.08Å; Y306-Y351 AromaticContact CD1-CD2 3.93Å; Y306-Y351 HydrophobicContact CD1-CD2 3.93Å; Y306-Y351 AromaticContact CD1-CE2 3.86Å; Y306-Y351 HydrophobicContact CD1-CE2 3.86Å; Y306-Y351 HydrophobicContact CD1-CG 4.4Å; Y306-Y351 HydrophobicContact CD2-CD2 4.24Å; Y306-Y351 HydrophobicContact CD2-CE2 4.1Å; Y306-Y351 HydrophobicContact CE1-CD2 4.2Å; Y306-Y351 HydrophobicContact CE1-CG 4.49Å; Y306-Y351 HydrophobicContact CE2-CD2 4.47Å; Y306-Y351 AromaticContact CG-CD2 3.97Å; Y306-Y351 HydrophobicContact CG-CD2 3.97Å; Y306-Y351 AromaticContact CG-CE2 3.6Å; Y306-Y351 HydrophobicContact CG-CE2 3.6Å; Y306-P459 HydrophobicContact CD2-CB 4.43Å; Y306-P459 VanDerWaalsContact CD2-O 3.29Å; Y306-P459 WeakPolarHBondContact CD2-O 3.46Å; Y306-P459 HydrophobicContact CE2-CB 4.02Å; Y306-M460 HydrophobicContact CE2-CB 4.25Å; Y306-M460 HydrophobicContact CE2-CG 3.61Å; Y306-M460 VanDerWaalsContact OH-CE 3.3Å; Y306-M460 WeakPolarHBondContact OH-CE 3.36Å; Y306-M460 WeakPolarHBondContact OH-CG 3.33Å
307	L	97.6	Very high	96.3	Very high	4 Å²	4	59.5 Å²	59.5	2%	0.021	31%	0.311	C	S	.	.	H	α-helix	trans	-57	-45.2	176.8	-175.7	150.8	0	0	0	111.5	F270 F302 P303 E304 R309 V310 K311 W328 L330	F270-L307 HydrophobicContact CE2-CB 4.3Å; F270-L307 HydrophobicContact CE2-CG 4.23Å; F270-L307 HydrophobicContact CZ-CB 4.41Å; F302-L307 HydrophobicContact CB-CD1 3.68Å; F302-L307 HydrophobicContact CD2-CD1 3.65Å; F302-L307 HydrophobicContact CG-CD1 3.85Å; P303-L307 PolarHBondContact O-N 3.13Å; E304-L307 PolarHBondContact O-N 3.14Å; L307-R309 PolarHBondContact O-N 3.11Å; L307-V310 PolarHBondContact O-N 3.27Å; L307-K311 WeakPolarHBondContact O-CB 3.38Å; L307-K311 PolarHBondContact O-N 3.24Å; L307-W328 HydrophobicContact CD2-CH2 4.26Å; L307-W328 HydrophobicContact CD2-CZ3 4.27Å; L307-W328 HydrophobicContact CG-CH2 4.23Å; L307-L330 HydrophobicContact CD1-CD1 3.76Å; L307-L330 HydrophobicContact CD2-CD1 4.21Å
308	Q	97.7	Very high	96.4	Very high	85 Å²	85	57.2 Å²	57.2	40%	0.397	30%	0.299	S	S	.	.	H	α-helix	trans	-64.3	-38	177.7	-66	-55.7	-31.5	0	0	112.6	E304 Y306 K311 M312	E304-Q308 WeakPolarHBondContact O-CG 3.39Å; E304-Q308 PolarHBondContact O-N 2.95Å; E304-Q308 PolarHBondContact OE1-NE2 3.48Å; Y306-Q308 VanDerWaalsContact C-N 3.32Å; Y306-Q308 PolarHBondContact O-N 2.76Å; Q308-K311 PolarHBondContact O-N 3.35Å; Q308-M312 WeakPolarHBondContact O-CB 3.46Å; Q308-M312 PolarHBondContact O-N 2.84Å
309	R	97.9	Very high	96.3	Very high	67 Å²	67	57 Å²	57	25%	0.253	29%	0.292	S	S	.	.	H	α-helix	trans	-66.9	-40	174.8	-68.7	-172.6	-55.3	-98.1	6.4	112.2	E305 Y306 L307 M312 V313 P459	E305-R309 WeakPolarHBondContact O-CG 3.28Å; E305-R309 PolarHBondContact O-N 3.45Å; E305-R309 PolarHBondContact O-NH1 3.43Å; E305-R309 IonicContact OE2-NH1 3.25Å; Y306-R309 PolarHBondContact O-N 3.36Å; Y306-R309 VanDerWaalsContact O-N 3.15Å; L307-R309 PolarHBondContact O-N 3.11Å; R309-M312 PolarHBondContact O-N 2.94Å; R309-V313 PolarHBondContact O-N 3.47Å; R309-P459 HydrophobicContact CB-CB 4.04Å; R309-P459 VanDerWaalsContact CZ-O 3.27Å; R309-P459 PolarHBondContact NE-O 3.44Å; R309-P459 PolarHBondContact NH2-O 2.94Å
310	V	98	Very high	96.4	Very high	3 Å²	3	58.5 Å²	58.5	2%	0.018	32%	0.323	C	S	.	.	H	α-helix	trans	-62.6	-49.1	173.8	173.1	0	0	0	0	110.3	F270 D274 Y306 L307 M312 V313 H314 P459	F270-V310 HydrophobicContact CE2-CB 4.01Å; F270-V310 HydrophobicContact CE2-CG1 3.95Å; F270-V310 HydrophobicContact CE2-CG2 4.12Å; F270-V310 HydrophobicContact CZ-CB 4.44Å; F270-V310 HydrophobicContact CZ-CG2 4.08Å; D274-V310 HydrophobicContact CB-CG1 4.18Å; Y306-V310 HydrophobicContact CD2-CG2 3.89Å; Y306-V310 HydrophobicContact CE1-CG2 4.22Å; Y306-V310 HydrophobicContact CE2-CG2 3.45Å; Y306-V310 VanDerWaalsContact CE2-CG2 3.45Å; Y306-V310 HydrophobicContact CG-CG2 4.45Å; Y306-V310 WeakPolarHBondContact O-CG2 3.27Å; Y306-V310 PolarHBondContact O-N 3.08Å; L307-V310 PolarHBondContact O-N 3.27Å; V310-M312 VanDerWaalsContact C-N 3.27Å; V310-M312 PolarHBondContact O-N 3.41Å; V310-V313 WeakPolarHBondContact O-CG1 3.34Å; V310-V313 PolarHBondContact O-N 2.98Å; V310-H314 WeakPolarHBondContact O-CB 3.38Å; V310-H314 PolarHBondContact O-CD2 3.49Å; V310-H314 PolarHBondContact O-N 3.23Å; V310-P459 HydrophobicContact CG2-CB 4.41Å
311	K	98	Very high	96.5	Very high	85 Å²	85	54.5 Å²	54.5	37%	0.37	30%	0.3	S	S	.	.	H	α-helix	trans	-54.6	-44.4	175.5	178.3	178.6	-178.4	179	0	111.8	L307 Q308 S315 W328	L307-K311 WeakPolarHBondContact O-CB 3.38Å; L307-K311 PolarHBondContact O-N 3.24Å; Q308-K311 PolarHBondContact O-N 3.35Å; K311-S315 WeakPolarHBondContact O-CB 3.43Å; K311-S315 PolarHBondContact O-N 3.29Å; K311-S315 VanDerWaalsContact O-N 3.12Å; K311-S315 PolarHBondContact O-OG 3.47Å; K311-W328 HydrophobicContact CB-CD2 4.13Å; K311-W328 HydrophobicContact CB-CE3 3.88Å; K311-W328 HydrophobicContact CB-CZ3 4.32Å; K311-W328 HydrophobicContact CD-CE3 3.93Å; K311-W328 HydrophobicContact CD-CZ3 4.38Å; K311-W328 HydrophobicContact CG-CB 4.15Å; K311-W328 HydrophobicContact CG-CD2 4.1Å; K311-W328 HydrophobicContact CG-CE3 3.68Å; K311-W328 HydrophobicContact CG-CG 4.31Å; K311-W328 HydrophobicContact CG-CZ3 4.42Å
312	M	97.7	Very high	96.7	Very high	78 Å²	78	55.2 Å²	55.2	38%	0.384	30%	0.299	S	S	.	.	H	α-helix	trans	-62.5	-53.6	179	-175.1	-165.3	80.2	0	0	111.5	Q308 R309 V310 H314 S315 V316 G317 Y319	Q308-M312 WeakPolarHBondContact O-CB 3.46Å; Q308-M312 PolarHBondContact O-N 2.84Å; R309-M312 PolarHBondContact O-N 2.94Å; V310-M312 VanDerWaalsContact C-N 3.27Å; V310-M312 PolarHBondContact O-N 3.41Å; M312-H314 VanDerWaalsContact C-N 3.31Å; M312-H314 PolarHBondContact O-N 2.96Å; M312-S315 PolarHBondContact O-N 2.82Å; M312-S315 PolarHBondContact O-OG 2.8Å; M312-V316 HydrophobicContact CG-CG2 3.89Å; M312-V316 WeakPolarHBondContact O-CG2 3.46Å; M312-V316 PolarHBondContact O-N 3.25Å; M312-G317 PolarHBondContact O-N 3.05Å; M312-Y319 HydrophobicContact CE-CE2 4.15Å
313	V	97.6	Very high	96.8	Very high	1 Å²	1	55.1 Å²	55.1	1%	0.006	30%	0.304	C	S	.	.	H	α-helix	trans	-64.8	-34.7	-176	73.6	0	0	0	0	112.3	F277 R309 V310 G317 Y319 G323 E455 P459	F277-V313 HydrophobicContact CD2-CG1 4.12Å; F277-V313 HydrophobicContact CE2-CG1 4.11Å; F277-V313 HydrophobicContact CE2-CG2 4.03Å; R309-V313 PolarHBondContact O-N 3.47Å; V310-V313 WeakPolarHBondContact O-CG1 3.34Å; V310-V313 PolarHBondContact O-N 2.98Å; V313-G317 WeakPolarHBondContact O-CA 3.42Å; V313-G317 PolarHBondContact O-N 3.41Å; V313-Y319 HydrophobicContact CB-CD2 4.38Å; V313-Y319 HydrophobicContact CB-CE2 4.45Å; V313-Y319 HydrophobicContact CG2-CD2 3.99Å; V313-G323 WeakPolarHBondContact O-CA 3.32Å; V313-E455 HydrophobicContact CG2-CB 3.82Å; V313-E455 HydrophobicContact CG2-CG 3.86Å; V313-P459 HydrophobicContact CB-CG 4.37Å; V313-P459 HydrophobicContact CG1-CG 3.89Å
314	H	98	Very high	96.8	Very high	1 Å²	1	56.7 Å²	56.7	1%	0.005	31%	0.305	C	S	.	.	H	α-helix	trans	-67.8	-42.4	175.1	-86.8	-103.9	0	0	0	112.8	D274 F277 Q278 V310 M312 Y324 Y326 W328	D274-H314 PolarHBondContact O-NE2 2.78Å; F277-H314 WeakPolarHBondContact CA-NE2 3.44Å; F277-H314 AromaticContact CD2-CD2 3.82Å; F277-H314 AromaticContact CD2-NE2 3.79Å; Q278-H314 PolarHBondContact O-CE1 3.37Å; V310-H314 WeakPolarHBondContact O-CB 3.38Å; V310-H314 PolarHBondContact O-CD2 3.49Å; V310-H314 PolarHBondContact O-N 3.23Å; M312-H314 VanDerWaalsContact C-N 3.31Å; M312-H314 PolarHBondContact O-N 2.96Å; H314-Y324 AromaticContact ND1-CD2 3.89Å; H314-Y324 WeakPolarHBondContact O-CB 3.15Å; H314-Y324 PolarHBondContact O-N 3.48Å; H314-Y326 HydrophobicContact CB-CE1 4.25Å; H314-W328 HydrophobicContact CB-CG 4.36Å; H314-W328 AromaticContact CG-CD1 3.82Å
315	S	96.9	Very high	96.9	Very high	24 Å²	24	58.1 Å²	58.1	17%	0.168	31%	0.312	C	S	.	.	H	α-helix	trans	-83.5	-66.2	-171.9	55.6	0	0	0	0	112.7	K311 M312 Q325 Y326	K311-S315 WeakPolarHBondContact O-CB 3.43Å; K311-S315 PolarHBondContact O-N 3.29Å; K311-S315 VanDerWaalsContact O-N 3.12Å; K311-S315 PolarHBondContact O-OG 3.47Å; M312-S315 PolarHBondContact O-N 2.82Å; M312-S315 PolarHBondContact O-OG 2.8Å; S315-Q325 WeakPolarHBondContact O-CA 3.35Å; S315-Q325 PolarHBondContact O-N 3.4Å; S315-Q325 VanDerWaalsContact O-N 3.1Å; S315-Y326 VanDerWaalsContact CA-O 3.29Å; S315-Y326 WeakPolarHBondContact CA-O 3.43Å; S315-Y326 WeakPolarHBondContact CB-O 3.32Å
316	V	96.7	Very high	96.9	Very high	113 Å²	113	53.4 Å²	53.4	69%	0.685	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.4	-3.2	-172.2	-62.8	0	0	0	0	113.4	M312	M312-V316 HydrophobicContact CG-CG2 3.89Å; M312-V316 WeakPolarHBondContact O-CG2 3.46Å; M312-V316 PolarHBondContact O-N 3.25Å
317	G	96.1	Very high	96.8	Very high	8 Å²	8	60.8 Å²	60.8	8%	0.082	32%	0.323	C	S	.	.			trans	84.1	-179	-174.3	0	0	0	0	0	113.5	M312 V313 S321	M312-G317 PolarHBondContact O-N 3.05Å; V313-G317 WeakPolarHBondContact O-CA 3.42Å; V313-G317 PolarHBondContact O-N 3.41Å; G317-S321 CarbonylContact C-O 3.47Å; G317-S321 VanDerWaalsContact CA-O 3.31Å; G317-S321 WeakPolarHBondContact CA-O 3.45Å
318	G	95.4	Very high	96.8	Very high	17 Å²	17	61 Å²	61	18%	0.175	32%	0.323	C	S	.	.	B	Isolated β-bridge	trans	160.8	163.8	-172.8	0	0	0	0	0	110.7	G320 S321	G318-G320 PolarHBondContact O-N 3.42Å; G318-S321 PolarHBondContact N-O 3.48Å; G318-S321 WeakPolarHBondContact O-CB 3.45Å; G318-S321 PolarHBondContact O-N 2.87Å
319	Y	95.5	Very high	96.8	Very high	88 Å²	88	61.9 Å²	61.9	35%	0.345	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.5	33.5	175.3	-49.5	-77.4	0	0	0	114.8	M312 V313 L458 P459	M312-Y319 HydrophobicContact CE-CE2 4.15Å; V313-Y319 HydrophobicContact CB-CD2 4.38Å; V313-Y319 HydrophobicContact CB-CE2 4.45Å; V313-Y319 HydrophobicContact CG2-CD2 3.99Å; Y319-L458 HydrophobicContact CD1-CB 3.45Å; Y319-L458 VanDerWaalsContact CD1-CB 3.45Å; Y319-L458 HydrophobicContact CD1-CD1 4.01Å; Y319-L458 HydrophobicContact CD1-CG 4.34Å; Y319-L458 HydrophobicContact CD2-CB 4.29Å; Y319-L458 HydrophobicContact CE1-CB 3.81Å; Y319-L458 HydrophobicContact CG-CB 3.71Å; Y319-L458 HydrophobicContact CG-CD1 4.06Å; Y319-P459 HydrophobicContact CD2-CG 4.05Å; Y319-P459 HydrophobicContact CE2-CB 4.23Å; Y319-P459 HydrophobicContact CE2-CG 3.59Å
320	G	94.6	Very high	96.8	Very high	91 Å²	91	61.9 Å²	61.9	94%	0.938	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	87.1	-2.8	-177.2	0	0	0	0	0	115.1	G318	G318-G320 PolarHBondContact O-N 3.42Å
321	S	96.4	Very high	96.7	Very high	27 Å²	27	67.3 Å²	67.3	19%	0.189	36%	0.356	C	S	.	.	B	Isolated β-bridge	trans	-102.1	149.2	177.4	-169.5	0	0	0	0	112.6	G317 G318 G323 E455	G317-S321 CarbonylContact C-O 3.47Å; G317-S321 VanDerWaalsContact CA-O 3.31Å; G317-S321 WeakPolarHBondContact CA-O 3.45Å; G318-S321 PolarHBondContact N-O 3.48Å; G318-S321 WeakPolarHBondContact O-CB 3.45Å; G318-S321 PolarHBondContact O-N 2.87Å; S321-G323 VanDerWaalsContact C-N 3.26Å; S321-G323 PolarHBondContact OG-N 3.09Å; S321-E455 VanDerWaalsContact CB-CG 3.41Å; S321-E455 WeakPolarHBondContact CB-OE1 3.43Å; S321-E455 PolarHBondContact OG-OE1 3.11Å
322	E	96.9	Very high	96.6	Very high	149 Å²	149	66 Å²	66	70%	0.696	35%	0.351	S	S	*	.			trans	-80.7	-5.1	173.2	-61.9	-173.2	163.7	0	0	113.1
323	G	96.4	Very high	96.6	Very high	18 Å²	18	62.3 Å²	62.3	19%	0.186	33%	0.333	C	S	.	.			trans	68.2	-163.4	-175	0	0	0	0	0	112.5	V313 S321	V313-G323 WeakPolarHBondContact O-CA 3.32Å; S321-G323 VanDerWaalsContact C-N 3.26Å; S321-G323 PolarHBondContact OG-N 3.09Å
324	Y	96.9	Very high	96.6	Very high	70 Å²	70	64.1 Å²	64.1	28%	0.275	34%	0.341	S	S	.	.			trans	-99.5	-1.2	177.3	-69.5	-69.6	0	0	0	113.5	F277 P279 H314 Y326	F277-Y324 AromaticContact CD1-CE2 3.75Å; F277-Y324 HydrophobicContact CD1-CE2 3.75Å; F277-Y324 AromaticContact CD1-CZ 3.93Å; F277-Y324 HydrophobicContact CD2-CE2 4Å; F277-Y324 HydrophobicContact CE1-CD2 4.31Å; F277-Y324 AromaticContact CE1-CE2 3.53Å; F277-Y324 HydrophobicContact CE1-CE2 3.53Å; F277-Y324 AromaticContact CE1-CZ 3.69Å; F277-Y324 HydrophobicContact CE2-CD2 4.04Å; F277-Y324 AromaticContact CE2-CE2 3.78Å; F277-Y324 HydrophobicContact CE2-CE2 3.78Å; F277-Y324 AromaticContact CG-CE2 3.99Å; F277-Y324 HydrophobicContact CG-CE2 3.99Å; F277-Y324 AromaticContact CZ-CD2 3.9Å; F277-Y324 HydrophobicContact CZ-CD2 3.9Å; F277-Y324 AromaticContact CZ-CE2 3.55Å; F277-Y324 HydrophobicContact CZ-CE2 3.55Å; F277-Y324 WeakPolarHBondContact O-CE2 3.47Å; F277-Y324 PolarHBondContact O-OH 3.49Å; P279-Y324 HydrophobicContact CB-CD1 4.13Å; P279-Y324 HydrophobicContact CB-CD2 3.86Å; P279-Y324 HydrophobicContact CB-CE1 4.19Å; P279-Y324 HydrophobicContact CB-CE2 3.92Å; P279-Y324 HydrophobicContact CB-CG 3.97Å; P279-Y324 HydrophobicContact CG-CD1 4.3Å; P279-Y324 HydrophobicContact CG-CE1 3.95Å; P279-Y324 HydrophobicContact CG-CE2 4.24Å; H314-Y324 AromaticContact ND1-CD2 3.89Å; H314-Y324 WeakPolarHBondContact O-CB 3.15Å; H314-Y324 PolarHBondContact O-N 3.48Å; Y324-Y326 VanDerWaalsContact C-N 3.31Å; Y324-Y326 VanDerWaalsContact CB-CD1 3.46Å; Y324-Y326 HydrophobicContact CD2-CE1 4.3Å; Y324-Y326 HydrophobicContact CG-CE1 4.36Å; Y324-Y326 PolarHBondContact O-N 3.17Å
325	Q	95.9	Very high	96.6	Very high	143 Å²	143	67.1 Å²	67.1	67%	0.668	35%	0.354	S	S	*	.			trans	56.2	40.3	174.5	-57.8	-175.8	-1.2	0	0	114	S315	S315-Q325 WeakPolarHBondContact O-CA 3.35Å; S315-Q325 PolarHBondContact O-N 3.4Å; S315-Q325 VanDerWaalsContact O-N 3.1Å
326	Y	96.4	Very high	96.6	Very high	49 Å²	49	66.4 Å²	66.4	19%	0.192	35%	0.348	C	S	.	.	S	Bend	trans	-130.3	165.1	176.4	82	-78.7	0	0	0	112.5	P279 Q280 H314 S315 Y324 W328	P279-Y326 HydrophobicContact CB-CE1 4.39Å; Q280-Y326 HydrophobicContact CB-CE2 3.75Å; Q280-Y326 WeakPolarHBondContact CB-OH 3.31Å; Q280-Y326 HydrophobicContact CG-CE2 4.17Å; Q280-Y326 VanDerWaalsContact CG-OH 3.23Å; Q280-Y326 WeakPolarHBondContact CG-OH 3.24Å; Q280-Y326 PolarHBondContact N-OH 3.02Å; Q280-Y326 VanDerWaalsContact N-OH 3.14Å; H314-Y326 HydrophobicContact CB-CE1 4.25Å; S315-Y326 VanDerWaalsContact CA-O 3.29Å; S315-Y326 WeakPolarHBondContact CA-O 3.43Å; S315-Y326 WeakPolarHBondContact CB-O 3.32Å; Y324-Y326 VanDerWaalsContact C-N 3.31Å; Y324-Y326 VanDerWaalsContact CB-CD1 3.46Å; Y324-Y326 HydrophobicContact CD2-CE1 4.3Å; Y324-Y326 HydrophobicContact CG-CE1 4.36Å; Y324-Y326 PolarHBondContact O-N 3.17Å; Y326-W328 HydrophobicContact CE2-CB 4.26Å; Y326-W328 PolarHBondContact O-N 3.02Å; Y326-W328 VanDerWaalsContact OH-CD1 3.23Å
327	E	96.6	Very high	96.7	Very high	155 Å²	155	61 Å²	61	72%	0.724	32%	0.316	S	S	*	.			trans	-77.1	103.7	174	-173.4	-177	-168	0	0	110.6	K329	E327-K329 PolarHBondContact O-N 2.93Å
328	W	98	Very high	96.7	Very high	8 Å²	8	62.9 Å²	62.9	3%	0.03	32%	0.323	C	S	.	.			trans	-72.1	122.8	174.9	-172.3	101.3	0	0	0	110.8	F270 D274 Q280 L307 K311 H314 Y326 L330 A333	F270-W328 HydrophobicContact CD2-CZ2 4.32Å; D274-W328 HydrophobicContact CB-CZ2 4.21Å; D274-W328 PolarHBondContact OD1-NE1 2.79Å; Q280-W328 VanDerWaalsContact NE2-NE1 3.12Å; L307-W328 HydrophobicContact CD2-CH2 4.26Å; L307-W328 HydrophobicContact CD2-CZ3 4.27Å; L307-W328 HydrophobicContact CG-CH2 4.23Å; K311-W328 HydrophobicContact CB-CD2 4.13Å; K311-W328 HydrophobicContact CB-CE3 3.88Å; K311-W328 HydrophobicContact CB-CZ3 4.32Å; K311-W328 HydrophobicContact CD-CE3 3.93Å; K311-W328 HydrophobicContact CD-CZ3 4.38Å; K311-W328 HydrophobicContact CG-CB 4.15Å; K311-W328 HydrophobicContact CG-CD2 4.1Å; K311-W328 HydrophobicContact CG-CE3 3.68Å; K311-W328 HydrophobicContact CG-CG 4.31Å; K311-W328 HydrophobicContact CG-CZ3 4.42Å; H314-W328 HydrophobicContact CB-CG 4.36Å; H314-W328 AromaticContact CG-CD1 3.82Å; Y326-W328 HydrophobicContact CE2-CB 4.26Å; Y326-W328 PolarHBondContact O-N 3.02Å; Y326-W328 VanDerWaalsContact OH-CD1 3.23Å; W328-L330 HydrophobicContact CH2-CD1 3.99Å; W328-L330 VanDerWaalsContact CZ3-CA 3.48Å; W328-L330 HydrophobicContact CZ3-CB 3.99Å; W328-L330 HydrophobicContact CZ3-CD1 4Å; W328-A333 HydrophobicContact CH2-CB 3.44Å; W328-A333 VanDerWaalsContact CH2-CB 3.44Å; W328-A333 HydrophobicContact CZ2-CB 3.35Å
329	K	97.5	Very high	96.8	Very high	105 Å²	105	62 Å²	62	46%	0.457	32%	0.315	S	S	.	.			trans	-102.1	129.6	-175.1	-66	-176.7	-178.3	179.8	0	111.4	Q280 E327 E331 E332	Q280-K329 PolarHBondContact NE2-O 3.33Å; E327-K329 PolarHBondContact O-N 2.93Å; K329-E331 VanDerWaalsContact C-N 3.3Å; K329-E331 PolarHBondContact O-N 3.27Å; K329-E332 HydrophobicContact CB-CB 4.46Å; K329-E332 HydrophobicContact CB-CG 4.12Å; K329-E332 PolarHBondContact O-N 3.18Å
330	L	97	Very high	96.9	Very high	67 Å²	67	58.2 Å²	58.2	35%	0.351	30%	0.301	S	S	.	.	H	α-helix	trans	-67.9	-35.3	179.8	178.7	60.1	0	0	0	111.5	L307 W328 E332 A333 Q334	L307-L330 HydrophobicContact CD1-CD1 3.76Å; L307-L330 HydrophobicContact CD2-CD1 4.21Å; W328-L330 HydrophobicContact CH2-CD1 3.99Å; W328-L330 VanDerWaalsContact CZ3-CA 3.48Å; W328-L330 HydrophobicContact CZ3-CB 3.99Å; W328-L330 HydrophobicContact CZ3-CD1 4Å; L330-E332 PolarHBondContact O-N 2.86Å; L330-A333 PolarHBondContact O-N 2.91Å; L330-A333 VanDerWaalsContact O-N 3.08Å; L330-Q334 HydrophobicContact CD1-CG 4.28Å; L330-Q334 HydrophobicContact CG-CG 4.21Å; L330-Q334 WeakPolarHBondContact O-CG 3.39Å; L330-Q334 PolarHBondContact O-N 3.38Å
331	E	96.5	Very high	97	Very high	116 Å²	116	54.5 Å²	54.5	54%	0.542	26%	0.259	S	S	.	.	H	α-helix	trans	-61.9	-32.5	-177.8	-56	78	-170.9	0	0	111.7	K329	K329-E331 VanDerWaalsContact C-N 3.3Å; K329-E331 PolarHBondContact O-N 3.27Å
332	E	96.2	Very high	97.1	Very high	58 Å²	58	53.2 Å²	53.2	27%	0.271	25%	0.25	S	S	.	.	H	α-helix	trans	-73.8	-32.6	176.5	-69.1	-56.1	138.3	0	0	112.8	S269 Q280 R285 K329 L330 K335	S269-E332 WeakPolarHBondContact CB-O 3.44Å; Q280-E332 HydrophobicContact CG-CB 4.26Å; R285-E332 PolarHBondContact NH2-O 2.76Å; K329-E332 HydrophobicContact CB-CB 4.46Å; K329-E332 HydrophobicContact CB-CG 4.12Å; K329-E332 PolarHBondContact O-N 3.18Å; L330-E332 PolarHBondContact O-N 2.86Å; E332-K335 IonicContact OE1-NZ 2.74Å; E332-K335 PolarHBondContact OE1-NZ 2.7Å; E332-K335 WeakPolarHBondContact OE2-CE 3.44Å; E332-K335 IonicContact OE2-NZ 3.64Å; E332-K335 PolarHBondContact OE2-NZ 3.43Å
333	A	97.3	Very high	97.1	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-77.2	-29.1	177.8	0	0	0	0	0	112.3	S269 F270 D274 W328 L330 K335	S269-A333 PolarHBondContact N-O 3.14Å; F270-A333 HydrophobicContact CB-CB 4.09Å; F270-A333 HydrophobicContact CD2-CB 4.41Å; F270-A333 PolarHBondContact N-O 3.2Å; D274-A333 WeakPolarHBondContact OD2-CB 3.46Å; W328-A333 HydrophobicContact CH2-CB 3.44Å; W328-A333 VanDerWaalsContact CH2-CB 3.44Å; W328-A333 HydrophobicContact CZ2-CB 3.35Å; L330-A333 PolarHBondContact O-N 2.91Å; L330-A333 VanDerWaalsContact O-N 3.08Å; A333-K335 VanDerWaalsContact C-N 3.32Å; A333-K335 PolarHBondContact O-N 3.18Å
334	Q	97.6	Very high	97.1	Very high	39 Å²	39	45.5 Å²	45.5	18%	0.182	21%	0.209	C	C	.	.	H	α-helix	trans	-69.4	-24.2	178.4	-76.4	176.2	-34.5	0	0	113.6	L298 E299 F302 L330 N336	L298-Q334 CarbonylContact C-O 3.57Å; L298-Q334 WeakPolarHBondContact CA-O 3.34Å; L298-Q334 HydrophobicContact CD2-CB 4.03Å; E299-Q334 PolarHBondContact N-O 3.33Å; E299-Q334 WeakPolarHBondContact O-CG 3.31Å; F302-Q334 HydrophobicContact CE2-CG 3.87Å; F302-Q334 HydrophobicContact CZ-CG 4.49Å; L330-Q334 HydrophobicContact CD1-CG 4.28Å; L330-Q334 HydrophobicContact CG-CG 4.21Å; L330-Q334 WeakPolarHBondContact O-CG 3.39Å; L330-Q334 PolarHBondContact O-N 3.38Å; Q334-N336 PolarHBondContact O-N 2.73Å
335	K	97.6	Very high	97.2	Very high	65 Å²	65	42.3 Å²	42.3	28%	0.283	20%	0.197	S	C	.	.	B	Isolated β-bridge	trans	-62.6	125.6	-177.4	-68.6	174.9	-171.4	170.9	0	111.6	S269 F292 L298 E332 A333	S269-K335 VanDerWaalsContact CB-O 3.25Å; S269-K335 WeakPolarHBondContact CB-O 3.4Å; S269-K335 PolarHBondContact N-O 3.14Å; S269-K335 PolarHBondContact OG-O 3.21Å; F292-K335 HydrophobicContact CD1-CB 4.1Å; F292-K335 HydrophobicContact CD1-CD 4.27Å; F292-K335 HydrophobicContact CE1-CB 4.01Å; F292-K335 HydrophobicContact CE1-CD 3.88Å; L298-K335 HydrophobicContact CD2-CG 4.31Å; E332-K335 IonicContact OE1-NZ 2.74Å; E332-K335 PolarHBondContact OE1-NZ 2.7Å; E332-K335 WeakPolarHBondContact OE2-CE 3.44Å; E332-K335 IonicContact OE2-NZ 3.64Å; E332-K335 PolarHBondContact OE2-NZ 3.43Å; A333-K335 VanDerWaalsContact C-N 3.32Å; A333-K335 PolarHBondContact O-N 3.18Å
336	N	97.7	Very high	97.2	Very high	8 Å²	8	35.5 Å²	35.5	4%	0.043	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	140	172.6	-75.7	-22	0	0	0	111.3	V266 V293 P296 P297 L298 E299 Q334	V266-N336 HydrophobicContact CG1-CB 3.84Å; V293-N336 HydrophobicContact CB-CB 3.96Å; V293-N336 HydrophobicContact CG2-CB 4.29Å; V293-N336 PolarHBondContact N-O 3.28Å; P296-N336 WeakPolarHBondContact O-CB 3.42Å; P296-N336 PolarHBondContact O-ND2 3.09Å; P297-N336 PolarHBondContact O-N 2.95Å; L298-N336 PolarHBondContact O-ND2 2.85Å; E299-N336 WeakPolarHBondContact CB-OD1 3.34Å; Q334-N336 PolarHBondContact O-N 2.73Å
337	V	97.7	Very high	97.3	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	158.5	178.2	-62.5	0	0	0	0	109.8	V266 E267 N272 F273 T290 F291 F292	V266-V337 WeakPolarHBondContact CA-O 3.39Å; E267-V337 PolarHBondContact N-O 3.3Å; E267-V337 WeakPolarHBondContact O-CG2 3.34Å; E267-V337 PolarHBondContact O-N 3.38Å; E267-V337 VanDerWaalsContact O-O 3.08Å; N272-V337 HydrophobicContact CB-CG2 4.09Å; F273-V337 HydrophobicContact CE2-CG1 4.5Å; F273-V337 HydrophobicContact CE2-CG2 4.29Å; T290-V337 HydrophobicContact CG2-CB 3.68Å; T290-V337 HydrophobicContact CG2-CG1 3.55Å; T290-V337 HydrophobicContact CG2-CG2 4.4Å; F291-V337 CarbonylContact O-C 3.56Å; F291-V337 VanDerWaalsContact O-CA 3.31Å; F291-V337 WeakPolarHBondContact O-CA 3.33Å; F292-V337 HydrophobicContact CD1-CG1 3.57Å; F292-V337 HydrophobicContact CE1-CG1 3.6Å; F292-V337 HydrophobicContact CG-CG1 4.16Å; F292-V337 HydrophobicContact CZ-CG1 4.21Å
338	L	97.7	Very high	97.3	Very high	47 Å²	47	28.1 Å²	28.1	25%	0.246	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	128.2	158.7	-61.1	-178.4	0	0	0	107.7	Y265 V266 F291 V293 T340 F371	Y265-L338 WeakPolarHBondContact O-CA 3.15Å; V266-L338 HydrophobicContact CG2-CD2 4.16Å; F291-L338 HydrophobicContact CB-CB 4.14Å; F291-L338 HydrophobicContact CB-CD1 3.87Å; F291-L338 HydrophobicContact CB-CG 4.07Å; F291-L338 HydrophobicContact CD2-CD1 4.27Å; F291-L338 HydrophobicContact CG-CD1 4.3Å; F291-L338 PolarHBondContact O-N 3.4Å; V293-L338 HydrophobicContact CG2-CD2 4.25Å; V293-L338 HydrophobicContact CG2-CG 4.48Å; L338-T340 PolarHBondContact O-N 3.2Å; L338-F371 HydrophobicContact CB-CB 3.66Å; L338-F371 HydrophobicContact CB-CD2 3.78Å; L338-F371 HydrophobicContact CB-CG 3.8Å; L338-F371 HydrophobicContact CD1-CB 4.14Å; L338-F371 HydrophobicContact CD1-CD1 4.07Å; L338-F371 HydrophobicContact CD1-CD2 4.48Å; L338-F371 HydrophobicContact CD1-CG 3.98Å; L338-F371 HydrophobicContact CG-CG 4.47Å
339	R	97.4	Very high	97.3	Very high	0 Å²	0	29 Å²	29	0%	0	14%	0.137	C	C	.	.			trans	-53.9	129.4	-174.6	67.4	-175.8	170.4	-171.3	4.1	111.4	T262 N264 Y265 E267 N272 D368 R369 F371	T262-R339 PolarHBondContact O-NH1 3.08Å; N264-R339 VanDerWaalsContact O-CD 3.27Å; N264-R339 WeakPolarHBondContact O-CD 3.46Å; N264-R339 VanDerWaalsContact O-CZ 3.31Å; N264-R339 PolarHBondContact O-NE 3.41Å; N264-R339 PolarHBondContact O-NH1 2.79Å; Y265-R339 PolarHBondContact O-N 3.45Å; E267-R339 HydrophobicContact CB-CB 4.05Å; N272-R339 WeakPolarHBondContact OD1-CA 3.34Å; R339-D368 IonicContact CZ-OD2 3.62Å; R339-D368 IonicContact NH1-OD2 2.98Å; R339-D368 PolarHBondContact NH1-OD2 3.17Å; R339-D368 IonicContact NH2-OD1 3.23Å; R339-D368 PolarHBondContact NH2-OD1 3.38Å; R339-D368 VanDerWaalsContact NH2-OD1 3.14Å; R339-D368 IonicContact NH2-OD2 2.63Å; R339-D368 PolarHBondContact NH2-OD2 3.24Å; R339-R369 PolarHBondContact NE-O 3.36Å; R339-R369 PolarHBondContact NH2-O 3.47Å; R339-F371 HydrophobicContact CG-CD2 4.36Å; R339-F371 PolarHBondContact O-N 3.19Å
340	T	97.1	Very high	97.3	Very high	8 Å²	8	24 Å²	24	5%	0.049	12%	0.115	C	C	.	.	S	Bend	trans	-92.8	-16.7	-173.3	61.8	0	0	0	0	113.3	N272 F273 T290 L338 F371 R372	N272-T340 PolarHBondContact ND2-OG1 3.28Å; N272-T340 PolarHBondContact OD1-N 2.76Å; F273-T340 HydrophobicContact CZ-CG2 4.08Å; T290-T340 HydrophobicContact CG2-CG2 3.79Å; T290-T340 WeakPolarHBondContact OG1-CG2 3.35Å; L338-T340 PolarHBondContact O-N 3.2Å; T340-F371 WeakPolarHBondContact CA-O 3.17Å; T340-R372 PolarHBondContact O-NE 3.34Å; T340-R372 VanDerWaalsContact O-NE 3.08Å
341	H	96.8	Very high	97.3	Very high	13 Å²	13	21.9 Å²	21.9	6%	0.06	10%	0.102	C	C	.	.	S	Bend	trans	-159.4	154.4	177.2	39.3	75.4	0	0	0	110.4	N272 T343	N272-H341 PolarHBondContact O-CE1 3Å; H341-T343 PolarHBondContact O-N 3.01Å
342	T	97.7	Very high	97.3	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	10%	0.102	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.3	-10.3	179.1	45.2	0	0	0	0	113.4	A344 C345 S346 D368 V370 Q386 E388	T342-A344 PolarHBondContact O-N 3.4Å; T342-A344 VanDerWaalsContact O-N 3.12Å; T342-C345 WeakPolarHBondContact O-CA 3.45Å; T342-C345 VanDerWaalsContact O-CB 3.23Å; T342-C345 WeakPolarHBondContact O-CB 3.33Å; T342-C345 PolarHBondContact O-N 3.38Å; T342-S346 PolarHBondContact O-N 3.29Å; T342-D368 HydrophobicContact CG2-CB 4.24Å; T342-V370 HydrophobicContact CG2-CG1 3.87Å; T342-Q386 HydrophobicContact CG2-CB 4.15Å; T342-Q386 WeakPolarHBondContact OG1-CG 3.33Å; T342-Q386 PolarHBondContact OG1-NE2 3.15Å; T342-Q386 VanDerWaalsContact OG1-NE2 3.1Å; T342-E388 WeakPolarHBondContact OG1-CB 3.46Å; T342-E388 PolarHBondContact OG1-OE2 3.42Å
343	T	97.5	Very high	97.3	Very high	4 Å²	4	19.4 Å²	19.4	3%	0.025	9%	0.089	C	C	.	.	H	α-helix	trans	-59.3	-24.7	177.8	-35.2	0	0	0	0	113.4	L276 H341 C345 S346 A347 E388 Y426 F452	L276-T343 HydrophobicContact CD1-CG2 3.81Å; L276-T343 HydrophobicContact CD2-CG2 3.89Å; H341-T343 PolarHBondContact O-N 3.01Å; T343-C345 VanDerWaalsContact C-N 3.32Å; T343-C345 PolarHBondContact O-N 2.97Å; T343-S346 WeakPolarHBondContact O-CB 3.15Å; T343-S346 PolarHBondContact O-N 3.43Å; T343-A347 PolarHBondContact O-N 3.01Å; T343-E388 VanDerWaalsContact CA-OE1 3.3Å; T343-E388 WeakPolarHBondContact CA-OE1 3.48Å; T343-E388 WeakPolarHBondContact CA-OE2 3.49Å; T343-E388 WeakPolarHBondContact CB-OE2 3.37Å; T343-E388 PolarHBondContact N-OE2 2.9Å; T343-E388 VanDerWaalsContact N-OE2 3.12Å; T343-E388 PolarHBondContact OG1-OE2 3.02Å; T343-Y426 HydrophobicContact CG2-CD2 4.26Å; T343-Y426 HydrophobicContact CG2-CE2 4.13Å; T343-F452 HydrophobicContact CG2-CE1 3.9Å; T343-F452 HydrophobicContact CG2-CZ 3.72Å
344	A	97.2	Very high	97.3	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-63	-38.7	171.3	0	0	0	0	0	112.1	E267 N272 T342 S346 A347 K348	E267-A344 HydrophobicContact CG-CB 3.93Å; N272-A344 HydrophobicContact CB-CB 4.37Å; T342-A344 PolarHBondContact O-N 3.4Å; T342-A344 VanDerWaalsContact O-N 3.12Å; A344-S346 VanDerWaalsContact C-N 3.32Å; A344-A347 PolarHBondContact O-N 3.24Å; A344-K348 PolarHBondContact O-N 2.78Å; A344-K348 VanDerWaalsContact O-N 3.16Å
345	C	97.3	Very high	97.1	Very high	3 Å²	3	23.8 Å²	23.8	2%	0.02	11%	0.108	C	C	.	.	H	α-helix	trans	-67	-37.8	175.1	-58.3	0	0	0	0	110.6	T262 T342 T343 K348 M349	T262-C345 HydrophobicContact CG2-CB 4.11Å; T342-C345 WeakPolarHBondContact O-CA 3.45Å; T342-C345 VanDerWaalsContact O-CB 3.23Å; T342-C345 WeakPolarHBondContact O-CB 3.33Å; T342-C345 PolarHBondContact O-N 3.38Å; T343-C345 VanDerWaalsContact C-N 3.32Å; T343-C345 PolarHBondContact O-N 2.97Å; C345-K348 PolarHBondContact O-N 3Å; C345-M349 WeakPolarHBondContact O-CG 3.33Å; C345-M349 PolarHBondContact O-N 2.87Å
346	S	97.7	Very high	97	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-62.4	-43.8	173.7	-63.9	0	0	0	0	112.1	M260 T342 T343 A344 K348 M349 L350 E388	M260-S346 WeakPolarHBondContact CE-OG 3.32Å; T342-S346 PolarHBondContact O-N 3.29Å; T343-S346 WeakPolarHBondContact O-CB 3.15Å; T343-S346 PolarHBondContact O-N 3.43Å; A344-S346 VanDerWaalsContact C-N 3.32Å; S346-K348 VanDerWaalsContact C-N 3.32Å; S346-K348 PolarHBondContact O-N 2.89Å; S346-M349 PolarHBondContact O-N 3.03Å; S346-M349 VanDerWaalsContact O-N 3.13Å; S346-L350 WeakPolarHBondContact O-CB 3.35Å; S346-L350 WeakPolarHBondContact O-CG 3.39Å; S346-L350 PolarHBondContact O-N 3.2Å; S346-E388 VanDerWaalsContact CB-OE1 3.23Å; S346-E388 WeakPolarHBondContact CB-OE1 3.3Å; S346-E388 PolarHBondContact OG-OE1 3.39Å
347	A	97.5	Very high	96.6	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-57.8	-44.1	174.7	0	0	0	0	0	112	W271 A275 L276 T343 A344 M349 L350 Y351 M460	W271-A347 HydrophobicContact CE3-CB 4.17Å; W271-A347 HydrophobicContact CZ3-CB 4.41Å; A275-A347 HydrophobicContact CB-CB 4.42Å; L276-A347 HydrophobicContact CD2-CB 3.82Å; L276-A347 HydrophobicContact CG-CB 4.27Å; T343-A347 PolarHBondContact O-N 3.01Å; A344-A347 PolarHBondContact O-N 3.24Å; A347-M349 VanDerWaalsContact C-N 3.34Å; A347-M349 PolarHBondContact O-N 3.26Å; A347-L350 PolarHBondContact O-N 3.32Å; A347-Y351 WeakPolarHBondContact O-CB 3.25Å; A347-Y351 PolarHBondContact O-N 2.96Å; A347-M460 HydrophobicContact CB-CE 4.02Å
348	K	96.6	Very high	96.4	Very high	50 Å²	50	36.3 Å²	36.3	22%	0.217	17%	0.174	C	C	.	.	H	α-helix	trans	-61.9	-40.5	175.3	-73.7	179.5	173.4	173.8	0	112.4	N264 E267 W271 A344 C345 S346 K352	N264-K348 PolarHBondContact ND2-NZ 2.8Å; E267-K348 WeakPolarHBondContact OE1-CE 3.13Å; E267-K348 IonicContact OE1-NZ 2.76Å; E267-K348 PolarHBondContact OE1-NZ 3.03Å; E267-K348 WeakPolarHBondContact OE2-CE 3.36Å; E267-K348 IonicContact OE2-NZ 3.35Å; E267-K348 PolarHBondContact OE2-NZ 2.98Å; W271-K348 HydrophobicContact CD2-CD 4.36Å; W271-K348 HydrophobicContact CD2-CG 3.62Å; W271-K348 HydrophobicContact CE3-CG 3.56Å; W271-K348 HydrophobicContact CG-CD 4.4Å; W271-K348 HydrophobicContact CG-CG 4.11Å; W271-K348 HydrophobicContact CH2-CG 4.38Å; W271-K348 HydrophobicContact CZ2-CG 4.41Å; W271-K348 HydrophobicContact CZ3-CG 3.96Å; A344-K348 PolarHBondContact O-N 2.78Å; A344-K348 VanDerWaalsContact O-N 3.16Å; C345-K348 PolarHBondContact O-N 3Å; S346-K348 VanDerWaalsContact C-N 3.32Å; S346-K348 PolarHBondContact O-N 2.89Å; K348-K352 WeakPolarHBondContact O-CG 3.44Å; K348-K352 PolarHBondContact O-N 2.99Å; K348-K352 VanDerWaalsContact O-N 3.09Å
349	M	97.1	Very high	96.3	Very high	25 Å²	25	35.4 Å²	35.4	12%	0.123	17%	0.168	C	C	.	.	H	α-helix	trans	-70.4	-42.1	178.5	-75	-58.2	-59.6	0	0	112.4	M260 P261 C345 S346 A347 K352 L353 Y364	M260-M349 HydrophobicContact CB-CG 4.08Å; M260-M349 HydrophobicContact CG-CG 3.82Å; M260-M349 HydrophobicContact SD-CB 3.79Å; M260-M349 HydrophobicContact SD-CG 3.57Å; M260-M349 VanDerWaalsContact SD-CG 3.57Å; P261-M349 HydrophobicContact CG-SD 4.28Å; C345-M349 WeakPolarHBondContact O-CG 3.33Å; C345-M349 PolarHBondContact O-N 2.87Å; S346-M349 PolarHBondContact O-N 3.03Å; S346-M349 VanDerWaalsContact O-N 3.13Å; A347-M349 VanDerWaalsContact C-N 3.34Å; A347-M349 PolarHBondContact O-N 3.26Å; M349-K352 WeakPolarHBondContact O-CB 3.36Å; M349-K352 PolarHBondContact O-N 3.24Å; M349-K352 HydrophobicContact SD-CD 4.24Å; M349-L353 WeakPolarHBondContact O-CB 3.35Å; M349-L353 PolarHBondContact O-N 2.89Å; M349-Y364 HydrophobicContact CE-CD1 4.22Å; M349-Y364 HydrophobicContact CE-CE1 3.76Å; M349-Y364 HydrophobicContact CE-CE2 4.29Å
350	L	97.8	Very high	96.3	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-63.6	-40.3	174.5	-69.3	174	0	0	0	111.9	S346 A347 K352 L353 A354 I390 A392 F452 L457 M460 V468	S346-L350 WeakPolarHBondContact O-CB 3.35Å; S346-L350 WeakPolarHBondContact O-CG 3.39Å; S346-L350 PolarHBondContact O-N 3.2Å; A347-L350 PolarHBondContact O-N 3.32Å; L350-K352 VanDerWaalsContact C-N 3.33Å; L350-K352 PolarHBondContact O-N 2.93Å; L350-L353 HydrophobicContact CD2-CD2 4.46Å; L350-L353 WeakPolarHBondContact O-CB 3.33Å; L350-L353 PolarHBondContact O-N 3.49Å; L350-A354 WeakPolarHBondContact O-CB 3.14Å; L350-A354 PolarHBondContact O-N 3.49Å; L350-I390 HydrophobicContact CD2-CD1 4.2Å; L350-I390 HydrophobicContact CG-CD1 4.19Å; L350-A392 HydrophobicContact CD2-CB 4.13Å; L350-F452 HydrophobicContact CD1-CD2 4.26Å; L350-F452 HydrophobicContact CD1-CE2 4.12Å; L350-L457 HydrophobicContact CD1-CD2 4.02Å; L350-M460 HydrophobicContact CB-SD 3.67Å; L350-V468 HydrophobicContact CD1-CG1 4.12Å; L350-V468 HydrophobicContact CD1-CG2 4.4Å; L350-V468 HydrophobicContact CD2-CG1 4.02Å; L350-V468 HydrophobicContact CD2-CG2 3.86Å
351	Y	97.4	Very high	96.3	Very high	23 Å²	23	45.5 Å²	45.5	9%	0.09	22%	0.222	C	C	.	.	H	α-helix	trans	-63.2	-37.5	174.2	178.5	-113.1	0	0	0	112.7	W271 P303 Y306 A347 K355 M460	W271-Y351 AromaticContact CH2-CD1 3.58Å; W271-Y351 HydrophobicContact CH2-CD1 3.58Å; W271-Y351 HydrophobicContact CH2-CE1 4.25Å; W271-Y351 AromaticContact CH2-CG 3.77Å; W271-Y351 HydrophobicContact CH2-CG 3.77Å; W271-Y351 HydrophobicContact CZ2-CD1 4.26Å; W271-Y351 HydrophobicContact CZ3-CG 4.43Å; P303-Y351 HydrophobicContact CB-CE1 4.07Å; P303-Y351 WeakPolarHBondContact CB-OH 3.18Å; P303-Y351 HydrophobicContact CG-CE1 3.62Å; Y306-Y351 AromaticContact CD1-CD2 3.93Å; Y306-Y351 HydrophobicContact CD1-CD2 3.93Å; Y306-Y351 AromaticContact CD1-CE2 3.86Å; Y306-Y351 HydrophobicContact CD1-CE2 3.86Å; Y306-Y351 HydrophobicContact CD1-CG 4.4Å; Y306-Y351 HydrophobicContact CD2-CD2 4.24Å; Y306-Y351 HydrophobicContact CD2-CE2 4.1Å; Y306-Y351 HydrophobicContact CE1-CD2 4.2Å; Y306-Y351 HydrophobicContact CE1-CG 4.49Å; Y306-Y351 HydrophobicContact CE2-CD2 4.47Å; Y306-Y351 AromaticContact CG-CD2 3.97Å; Y306-Y351 HydrophobicContact CG-CD2 3.97Å; Y306-Y351 AromaticContact CG-CE2 3.6Å; Y306-Y351 HydrophobicContact CG-CE2 3.6Å; A347-Y351 WeakPolarHBondContact O-CB 3.25Å; A347-Y351 PolarHBondContact O-N 2.96Å; Y351-K355 VanDerWaalsContact CE1-CE 3.46Å; Y351-K355 VanDerWaalsContact OH-CE 3.24Å; Y351-K355 WeakPolarHBondContact OH-CE 3.46Å; Y351-K355 PolarHBondContact OH-NZ 3.05Å; Y351-K355 VanDerWaalsContact OH-NZ 3.07Å; Y351-M460 HydrophobicContact CD2-CB 4.11Å; Y351-M460 HydrophobicContact CD2-CG 4.28Å
352	K	96.5	Very high	96.4	Very high	121 Å²	121	45.5 Å²	45.5	53%	0.526	22%	0.224	S	C	.	.	H	α-helix	trans	-65.6	-46	171.8	-73.6	175.2	-176.2	178.1	0	111.3	K348 M349 L350 A354 K355	K348-K352 WeakPolarHBondContact O-CG 3.44Å; K348-K352 PolarHBondContact O-N 2.99Å; K348-K352 VanDerWaalsContact O-N 3.09Å; M349-K352 WeakPolarHBondContact O-CB 3.36Å; M349-K352 PolarHBondContact O-N 3.24Å; M349-K352 HydrophobicContact SD-CD 4.24Å; L350-K352 VanDerWaalsContact C-N 3.33Å; L350-K352 PolarHBondContact O-N 2.93Å; K352-A354 VanDerWaalsContact C-N 3.27Å; K352-A354 PolarHBondContact O-N 2.87Å; K352-K355 WeakPolarHBondContact O-CB 3.45Å; K352-K355 PolarHBondContact O-N 3.38Å; K352-K355 VanDerWaalsContact O-N 3.11Å
353	L	96.6	Very high	96.4	Very high	2 Å²	2	49.8 Å²	49.8	1%	0.01	24%	0.242	C	C	.	.	H	α-helix	trans	-59	-38.2	178.5	-174.9	64.7	0	0	0	112	M349 L350 K355 E356 F359 A362 Y364 A392	M349-L353 WeakPolarHBondContact O-CB 3.35Å; M349-L353 PolarHBondContact O-N 2.89Å; L350-L353 HydrophobicContact CD2-CD2 4.46Å; L350-L353 WeakPolarHBondContact O-CB 3.33Å; L350-L353 PolarHBondContact O-N 3.49Å; L353-K355 PolarHBondContact O-N 3.37Å; L353-K355 VanDerWaalsContact O-N 3.17Å; L353-E356 WeakPolarHBondContact O-CB 3.22Å; L353-E356 PolarHBondContact O-N 2.95Å; L353-F359 HydrophobicContact CD2-CE2 3.72Å; L353-F359 HydrophobicContact CD2-CZ 4.44Å; L353-F359 HydrophobicContact CG-CD2 4.34Å; L353-F359 HydrophobicContact CG-CE2 3.96Å; L353-A362 HydrophobicContact CD1-CB 4.19Å; L353-A362 HydrophobicContact CD2-CB 3.89Å; L353-Y364 HydrophobicContact CD2-CE2 4.32Å; L353-A392 HydrophobicContact CD2-CB 3.79Å
354	A	96.5	Very high	96.4	Very high	4 Å²	4	51.1 Å²	51.1	3%	0.033	25%	0.247	C	C	.	.	H	α-helix	trans	-59.1	-27.2	177.9	0	0	0	0	0	113.9	L350 K352 K357 M460 L462	L350-A354 WeakPolarHBondContact O-CB 3.14Å; L350-A354 PolarHBondContact O-N 3.49Å; K352-A354 VanDerWaalsContact C-N 3.27Å; K352-A354 PolarHBondContact O-N 2.87Å; A354-K357 WeakPolarHBondContact O-CE 3.47Å; A354-K357 PolarHBondContact O-NZ 3.07Å; A354-M460 HydrophobicContact CB-CB 4.15Å; A354-M460 VanDerWaalsContact CB-O 3.29Å; A354-M460 WeakPolarHBondContact CB-O 3.44Å; A354-L462 HydrophobicContact CB-CD2 3.98Å; A354-L462 HydrophobicContact CB-CG 3.89Å
355	K	94.7	Very high	96.5	Very high	127 Å²	127	51.1 Å²	51.1	55%	0.552	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.1	-16.2	178.9	-63.2	-177.4	180	-172.3	0	113.3	Y351 K352 L353 K357	Y351-K355 VanDerWaalsContact CE1-CE 3.46Å; Y351-K355 VanDerWaalsContact OH-CE 3.24Å; Y351-K355 WeakPolarHBondContact OH-CE 3.46Å; Y351-K355 PolarHBondContact OH-NZ 3.05Å; Y351-K355 VanDerWaalsContact OH-NZ 3.07Å; K352-K355 WeakPolarHBondContact O-CB 3.45Å; K352-K355 PolarHBondContact O-N 3.38Å; K352-K355 VanDerWaalsContact O-N 3.11Å; L353-K355 PolarHBondContact O-N 3.37Å; L353-K355 VanDerWaalsContact O-N 3.17Å; K355-K357 PolarHBondContact O-N 3.06Å
356	E	93.7	Very high	96.5	Very high	85 Å²	85	51 Å²	51	40%	0.397	25%	0.246	S	C	.	.	S	Bend	trans	-72.7	126	176.1	-61.2	-171.2	-163.2	0	0	110.1	L353 P358	L353-E356 WeakPolarHBondContact O-CB 3.22Å; L353-E356 PolarHBondContact O-N 2.95Å; E356-P358 CarbonylContact C-O 3.56Å; E356-P358 CarbonylContact O-C 3.52Å
357	K	91	Very high	96.5	Very high	147 Å²	147	51 Å²	51	64%	0.639	25%	0.247	S	C	*	.	S	Bend	trans	-126.9	120.6	177.7	-58.2	-63.1	173.1	-161.2	0	109.2	A354 K355 G461	A354-K357 WeakPolarHBondContact O-CE 3.47Å; A354-K357 PolarHBondContact O-NZ 3.07Å; K355-K357 PolarHBondContact O-N 3.06Å; K357-G461 PolarHBondContact NZ-O 3.08Å
358	P	93.3	Very high	96.5	Very high	104 Å²	104	51.9 Å²	51.9	68%	0.675	25%	0.251	S	S	*	.	S	Bend	cis	-68	159.3	-3.1	31.6	-36.4	0	0	0	112.6	E356	E356-P358 CarbonylContact C-O 3.56Å; E356-P358 CarbonylContact O-C 3.52Å
359	F	95.8	Very high	96.5	Very high	27 Å²	27	51.9 Å²	51.9	12%	0.118	25%	0.25	C	C	.	.			trans	-58.1	140.8	171.3	170.5	-98.6	0	0	0	110	L353 P361 A392 E394 L462 P463 V466	L353-F359 HydrophobicContact CD2-CE2 3.72Å; L353-F359 HydrophobicContact CD2-CZ 4.44Å; L353-F359 HydrophobicContact CG-CD2 4.34Å; L353-F359 HydrophobicContact CG-CE2 3.96Å; F359-P361 HydrophobicContact CE1-CG 4.21Å; F359-A392 HydrophobicContact CZ-CB 4.32Å; F359-E394 HydrophobicContact CE1-CG 4.43Å; F359-L462 HydrophobicContact CD2-CD2 4.01Å; F359-L462 HydrophobicContact CE2-CD2 3.86Å; F359-P463 HydrophobicContact CB-CG 4.07Å; F359-P463 HydrophobicContact CG-CG 4.41Å; F359-V466 HydrophobicContact CD1-CG2 3.6Å; F359-V466 HydrophobicContact CD2-CG2 4.18Å; F359-V466 HydrophobicContact CE1-CB 4.45Å; F359-V466 HydrophobicContact CE1-CG1 4.08Å; F359-V466 HydrophobicContact CE1-CG2 3.45Å; F359-V466 VanDerWaalsContact CE1-CG2 3.45Å; F359-V466 HydrophobicContact CE2-CG1 3.74Å; F359-V466 HydrophobicContact CE2-CG2 4.04Å; F359-V466 HydrophobicContact CG-CG2 3.98Å; F359-V466 HydrophobicContact CZ-CB 4.26Å; F359-V466 HydrophobicContact CZ-CG1 3.46Å; F359-V466 VanDerWaalsContact CZ-CG1 3.46Å; F359-V466 HydrophobicContact CZ-CG2 3.69Å
360	K	96.2	Very high	96.5	Very high	126 Å²	126	50.7 Å²	50.7	55%	0.548	24%	0.244	S	C	.	.			trans	-123.7	129.2	174.5	-67.1	179.2	-175.6	171.9	0	108.9	A362	K360-A362 PolarHBondContact O-N 3.48Å
361	P	97.3	Very high	96.5	Very high	95 Å²	95	51.7 Å²	51.7	62%	0.617	25%	0.248	S	C	*	.			trans	-56.2	140.1	173.5	-24.9	34	0	0	0	111.2	F359 A392 A393	F359-P361 HydrophobicContact CE1-CG 4.21Å; P361-A392 CarbonylContact C-O 3.57Å; P361-A392 VanDerWaalsContact CA-O 3.24Å; P361-A392 WeakPolarHBondContact CA-O 3.39Å; P361-A393 HydrophobicContact CB-CB 4.06Å
362	A	97.9	Very high	96.4	Very high	13 Å²	13	54.2 Å²	54.2	11%	0.107	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	146	-176.3	0	0	0	0	0	111.8	L353 K360 Y364 V391 A392	L353-A362 HydrophobicContact CD1-CB 4.19Å; L353-A362 HydrophobicContact CD2-CB 3.89Å; K360-A362 PolarHBondContact O-N 3.48Å; A362-Y364 HydrophobicContact CB-CD2 4.06Å; A362-Y364 HydrophobicContact CB-CE1 4.31Å; A362-Y364 HydrophobicContact CB-CE2 3.41Å; A362-Y364 VanDerWaalsContact CB-CE2 3.41Å; A362-V391 WeakPolarHBondContact O-CA 3.4Å; A362-A392 PolarHBondContact N-O 2.96Å; A362-A392 PolarHBondContact O-N 3.3Å
363	K	98.5	Very high	96.2	Very high	90 Å²	90	51.3 Å²	51.3	39%	0.391	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	119.2	172.3	-62.2	-178.8	-178.2	180	0	107.4	M255 F257 S258 I390 V391	M255-K363 PolarHBondContact O-NZ 3.26Å; F257-K363 HydrophobicContact CB-CB 4.3Å; F257-K363 HydrophobicContact CD1-CB 3.72Å; F257-K363 HydrophobicContact CD2-CB 4.11Å; F257-K363 HydrophobicContact CD2-CD 4.09Å; F257-K363 HydrophobicContact CE1-CB 3.91Å; F257-K363 HydrophobicContact CE2-CB 4.28Å; F257-K363 HydrophobicContact CE2-CD 3.86Å; F257-K363 HydrophobicContact CE2-CG 4.45Å; F257-K363 HydrophobicContact CG-CB 3.79Å; F257-K363 HydrophobicContact CZ-CB 4.15Å; F257-K363 HydrophobicContact CZ-CD 4.19Å; F257-K363 HydrophobicContact CZ-CG 4.34Å; S258-K363 PolarHBondContact N-O 2.86Å; K363-I390 WeakPolarHBondContact CA-O 3.31Å; K363-V391 HydrophobicContact CB-CG2 4.48Å; K363-V391 HydrophobicContact CG-CG1 4.04Å; K363-V391 HydrophobicContact CG-CG2 4.05Å
364	Y	98.5	Very high	95.7	Very high	31 Å²	31	53.9 Å²	53.9	12%	0.122	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	147.9	-178.3	-58.2	-66.2	0	0	0	112.1	F257 S258 M260 M349 L353 A362 I390	F257-Y364 WeakPolarHBondContact CD1-O 2.99Å; S258-Y364 CarbonylContact O-C 3.52Å; S258-Y364 VanDerWaalsContact O-CA 3.25Å; S258-Y364 WeakPolarHBondContact O-CA 3.37Å; M260-Y364 VanDerWaalsContact CG-CB 3.46Å; M260-Y364 HydrophobicContact CG-CD1 4.17Å; M260-Y364 HydrophobicContact CG-CG 3.99Å; M260-Y364 WeakPolarHBondContact SD-CB 3.27Å; M260-Y364 HydrophobicContact SD-CG 4.09Å; M349-Y364 HydrophobicContact CE-CD1 4.22Å; M349-Y364 HydrophobicContact CE-CE1 3.76Å; M349-Y364 HydrophobicContact CE-CE2 4.29Å; L353-Y364 HydrophobicContact CD2-CE2 4.32Å; A362-Y364 HydrophobicContact CB-CD2 4.06Å; A362-Y364 HydrophobicContact CB-CE1 4.31Å; A362-Y364 HydrophobicContact CB-CE2 3.41Å; A362-Y364 VanDerWaalsContact CB-CE2 3.41Å; Y364-I390 HydrophobicContact CD2-CD1 3.83Å; Y364-I390 HydrophobicContact CD2-CG1 4.14Å; Y364-I390 HydrophobicContact CG-CD1 4.4Å; Y364-I390 HydrophobicContact CG-CG1 4.39Å; Y364-I390 PolarHBondContact N-O 2.94Å; Y364-I390 PolarHBondContact O-N 2.83Å
365	F	98.6	Very high	95.1	Very high	0 Å²	0	59.5 Å²	59.5	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	158	173.5	79.7	-78.8	0	0	0	111.4	R249 F252 L253 F257 S258 E259 M260 I367 E388	R249-F365 HydrophobicContact CB-CE2 4.3Å; R249-F365 HydrophobicContact CG-CE2 3.92Å; R249-F365 HydrophobicContact CG-CZ 3.87Å; F252-F365 HydrophobicContact CB-CB 4.1Å; F252-F365 HydrophobicContact CB-CD1 3.58Å; F252-F365 HydrophobicContact CB-CD2 3.67Å; F252-F365 HydrophobicContact CB-CE1 3.76Å; F252-F365 HydrophobicContact CB-CE2 3.89Å; F252-F365 HydrophobicContact CB-CG 3.49Å; F252-F365 VanDerWaalsContact CB-CG 3.49Å; F252-F365 HydrophobicContact CB-CZ 3.92Å; F252-F365 HydrophobicContact CD1-CB 3.38Å; F252-F365 HydrophobicContact CD1-CD1 4.38Å; F252-F365 HydrophobicContact CD1-CD2 4.31Å; F252-F365 AromaticContact CD1-CG 3.8Å; F252-F365 HydrophobicContact CD1-CG 3.8Å; F252-F365 HydrophobicContact CD2-CB 3.93Å; F252-F365 AromaticContact CD2-CD2 3.42Å; F252-F365 HydrophobicContact CD2-CD2 3.42Å; F252-F365 VanDerWaalsContact CD2-CD2 3.42Å; F252-F365 HydrophobicContact CD2-CE2 4.07Å; F252-F365 AromaticContact CD2-CG 3.78Å; F252-F365 HydrophobicContact CD2-CG 3.78Å; F252-F365 HydrophobicContact CE1-CB 3.61Å; F252-F365 HydrophobicContact CE1-CG 4.42Å; F252-F365 HydrophobicContact CE2-CB 4.18Å; F252-F365 HydrophobicContact CE2-CD2 4.11Å; F252-F365 HydrophobicContact CE2-CG 4.45Å; F252-F365 HydrophobicContact CG-CB 3.54Å; F252-F365 HydrophobicContact CG-CD1 4.01Å; F252-F365 AromaticContact CG-CD2 3.55Å; F252-F365 HydrophobicContact CG-CD2 3.55Å; F252-F365 HydrophobicContact CG-CE2 4.22Å; F252-F365 AromaticContact CG-CG 3.42Å; F252-F365 HydrophobicContact CG-CG 3.42Å; F252-F365 VanDerWaalsContact CG-CG 3.42Å; F252-F365 HydrophobicContact CZ-CB 4.02Å; L253-F365 HydrophobicContact CD2-CE1 3.99Å; L253-F365 HydrophobicContact CD2-CZ 4.21Å; L253-F365 HydrophobicContact CG-CE1 4.39Å; L253-F365 HydrophobicContact CG-CZ 4.27Å; F257-F365 HydrophobicContact CB-CB 4.29Å; F257-F365 HydrophobicContact CB-CD1 3.61Å; F257-F365 HydrophobicContact CB-CE1 4.37Å; F257-F365 HydrophobicContact CB-CG 4.32Å; F257-F365 HydrophobicContact CD1-CB 4.31Å; S258-F365 VanDerWaalsContact C-CD1 3.48Å; S258-F365 WeakPolarHBondContact O-CD1 3.21Å; S258-F365 PolarHBondContact O-N 2.95Å; E259-F365 CarbonylContact C-O 3.58Å; E259-F365 VanDerWaalsContact CA-CE1 3.46Å; E259-F365 WeakPolarHBondContact CA-O 3.16Å; E259-F365 HydrophobicContact CB-CD1 4.3Å; E259-F365 HydrophobicContact CB-CE1 3.59Å; E259-F365 HydrophobicContact CB-CE2 4.27Å; E259-F365 HydrophobicContact CB-CZ 3.57Å; E259-F365 HydrophobicContact CG-CE1 4.25Å; E259-F365 HydrophobicContact CG-CE2 4.02Å; E259-F365 HydrophobicContact CG-CZ 3.79Å; E259-F365 VanDerWaalsContact N-CE1 3.32Å; M260-F365 PolarHBondContact N-O 2.62Å; F365-I367 HydrophobicContact CD2-CG1 4.28Å; F365-I367 HydrophobicContact CE2-CD1 4.47Å; F365-I367 HydrophobicContact CE2-CG1 4.46Å; F365-E388 CarbonylContact C-O 3.57Å; F365-E388 WeakPolarHBondContact CA-O 3.34Å; F365-E388 WeakPolarHBondContact CB-O 3.3Å
366	S	98	Very high	94.4	Very high	0 Å²	0	58.6 Å²	58.6	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144	150.7	169.8	64.4	0	0	0	0	110.7	I387 E388	S366-I387 WeakPolarHBondContact O-CA 3.36Å; S366-E388 PolarHBondContact N-O 3.18Å; S366-E388 PolarHBondContact O-N 3.12Å
367	I	97.7	Very high	93.9	Very high	2 Å²	2	57.4 Å²	57.4	1%	0.01	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	102.2	171.7	-48.2	177.2	0	0	0	107.4	R245 F248 R249 F365 Q386 I387 L475	R245-I367 HydrophobicContact CG-CB 4.39Å; R245-I367 HydrophobicContact CG-CD1 4.32Å; R245-I367 HydrophobicContact CG-CG2 3.89Å; R245-I367 PolarHBondContact NH2-O 3.31Å; F248-I367 HydrophobicContact CB-CD1 3.67Å; R249-I367 HydrophobicContact CB-CD1 4.1Å; F365-I367 HydrophobicContact CD2-CG1 4.28Å; F365-I367 HydrophobicContact CE2-CD1 4.47Å; F365-I367 HydrophobicContact CE2-CG1 4.46Å; I367-Q386 WeakPolarHBondContact CA-O 3.36Å; I367-I387 HydrophobicContact CB-CG1 4.38Å; I367-I387 HydrophobicContact CD1-CG1 4.33Å; I367-I387 HydrophobicContact CG1-CB 4.47Å; I367-I387 HydrophobicContact CG1-CG1 4.02Å; I367-I387 HydrophobicContact CG1-CG2 4.24Å; I367-I387 HydrophobicContact CG2-CG1 3.72Å; I367-L475 HydrophobicContact CG2-CD2 4.37Å
368	D	97.7	Very high	93.2	Very high	18 Å²	18	52.6 Å²	52.6	10%	0.096	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.2	164	-175.5	-148.5	-11.1	0	0	0	113.9	T262 R339 T342 H385 Q386	T262-D368 WeakPolarHBondContact CB-OD2 3.45Å; T262-D368 HydrophobicContact CG2-CB 4.19Å; T262-D368 VanDerWaalsContact OG1-CG 3.31Å; T262-D368 PolarHBondContact OG1-OD2 2.88Å; R339-D368 IonicContact CZ-OD2 3.62Å; R339-D368 IonicContact NH1-OD2 2.98Å; R339-D368 PolarHBondContact NH1-OD2 3.17Å; R339-D368 IonicContact NH2-OD1 3.23Å; R339-D368 PolarHBondContact NH2-OD1 3.38Å; R339-D368 VanDerWaalsContact NH2-OD1 3.14Å; R339-D368 IonicContact NH2-OD2 2.63Å; R339-D368 PolarHBondContact NH2-OD2 3.24Å; T342-D368 HydrophobicContact CG2-CB 4.24Å; D368-H385 CarbonylContact O-C 3.6Å; D368-H385 WeakPolarHBondContact O-CA 3.32Å; D368-Q386 PolarHBondContact N-O 3.4Å; D368-Q386 VanDerWaalsContact N-O 3.08Å; D368-Q386 PolarHBondContact O-N 3.47Å
369	R	96.5	Very high	92.4	Very high	50 Å²	50	52 Å²	52	19%	0.189	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	136.5	-177.3	-169.7	-178.9	-62.5	-171	6.4	112.1	R339 F371 E383 F384 F492	R339-R369 PolarHBondContact NE-O 3.36Å; R339-R369 PolarHBondContact NH2-O 3.47Å; R369-F371 HydrophobicContact CG-CE1 4.39Å; R369-F371 HydrophobicContact CG-CZ 4.14Å; R369-E383 WeakPolarHBondContact CD-OE2 3.49Å; R369-E383 HydrophobicContact CG-CB 4.22Å; R369-E383 IonicContact CZ-OE2 3.29Å; R369-E383 IonicContact NE-OE2 2.61Å; R369-E383 VanDerWaalsContact NH1-CD 3.31Å; R369-E383 IonicContact NH1-OE1 2.73Å; R369-E383 PolarHBondContact NH1-OE1 3.5Å; R369-E383 IonicContact NH1-OE2 2.79Å; R369-E383 PolarHBondContact NH1-OE2 3.49Å; R369-F384 CarbonylContact C-O 3.39Å; R369-F384 VanDerWaalsContact CA-O 3.28Å; R369-F384 WeakPolarHBondContact CA-O 3.49Å; R369-F492 VanDerWaalsContact NH2-CZ 3.26Å
370	V	97.3	Very high	91.8	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	160.9	175.5	-58.5	0	0	0	0	109.5	T342 E383 F384 Q386	T342-V370 HydrophobicContact CG2-CG1 3.87Å; V370-E383 WeakPolarHBondContact O-CA 3.45Å; V370-F384 HydrophobicContact CG2-CD1 4.2Å; V370-F384 HydrophobicContact CG2-CD2 3.84Å; V370-F384 HydrophobicContact CG2-CE1 3.83Å; V370-F384 HydrophobicContact CG2-CE2 3.42Å; V370-F384 VanDerWaalsContact CG2-CE2 3.42Å; V370-F384 HydrophobicContact CG2-CG 4.2Å; V370-F384 HydrophobicContact CG2-CZ 3.42Å; V370-F384 VanDerWaalsContact CG2-CZ 3.42Å; V370-F384 PolarHBondContact N-O 2.94Å; V370-F384 PolarHBondContact O-N 3.22Å; V370-F384 VanDerWaalsContact O-N 3.14Å; V370-Q386 HydrophobicContact CG1-CB 4.01Å; V370-Q386 HydrophobicContact CG2-CB 4.13Å
371	F	97.1	Very high	91.4	Very high	20 Å²	20	49.3 Å²	49.3	9%	0.088	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	129.9	-171.7	-53.6	-92.6	0	0	0	110.2	Y265 F291 L338 R339 T340 R369 A382 E383	Y265-F371 HydrophobicContact CD1-CE2 4.12Å; Y265-F371 HydrophobicContact CD1-CZ 4.4Å; Y265-F371 HydrophobicContact CD2-CE2 4.48Å; Y265-F371 HydrophobicContact CD2-CZ 4.15Å; Y265-F371 AromaticContact CG-CE2 3.93Å; Y265-F371 HydrophobicContact CG-CE2 3.93Å; Y265-F371 HydrophobicContact CG-CZ 4.05Å; F291-F371 HydrophobicContact CD2-CB 4.02Å; L338-F371 HydrophobicContact CB-CB 3.66Å; L338-F371 HydrophobicContact CB-CD2 3.78Å; L338-F371 HydrophobicContact CB-CG 3.8Å; L338-F371 HydrophobicContact CD1-CB 4.14Å; L338-F371 HydrophobicContact CD1-CD1 4.07Å; L338-F371 HydrophobicContact CD1-CD2 4.48Å; L338-F371 HydrophobicContact CD1-CG 3.98Å; L338-F371 HydrophobicContact CG-CG 4.47Å; R339-F371 HydrophobicContact CG-CD2 4.36Å; R339-F371 PolarHBondContact O-N 3.19Å; T340-F371 WeakPolarHBondContact CA-O 3.17Å; R369-F371 HydrophobicContact CG-CE1 4.39Å; R369-F371 HydrophobicContact CG-CZ 4.14Å; F371-A382 CarbonylContact C-O 3.55Å; F371-A382 VanDerWaalsContact CA-O 3.32Å; F371-A382 WeakPolarHBondContact CA-O 3.5Å; F371-E383 HydrophobicContact CD1-CB 3.81Å; F371-E383 HydrophobicContact CE1-CB 3.99Å
372	R	94.6	Very high	91.2	Very high	76 Å²	76	46 Å²	46	29%	0.287	24%	0.244	S	C	.	.			trans	-136.2	137.6	176.9	-61	-171.7	-175.8	173.5	0	109.3	F291 T340 E374 A382 F384	F291-R372 VanDerWaalsContact CE2-C 3.43Å; F291-R372 VanDerWaalsContact CE2-O 3.24Å; F291-R372 WeakPolarHBondContact CE2-O 3.26Å; T340-R372 PolarHBondContact O-NE 3.34Å; T340-R372 VanDerWaalsContact O-NE 3.08Å; R372-E374 HydrophobicContact CB-CG 4Å; R372-E374 WeakPolarHBondContact CD-OE1 3.28Å; R372-E374 IonicContact NH1-OE1 2.74Å; R372-E374 PolarHBondContact O-N 3.21Å; R372-A382 PolarHBondContact N-O 3.42Å; R372-A382 VanDerWaalsContact O-CA 3.31Å; R372-A382 WeakPolarHBondContact O-CA 3.38Å; R372-F384 HydrophobicContact CG-CE1 4.04Å
373	N	93.3	Very high	91	Very high	60 Å²	60	48.4 Å²	48.4	32%	0.321	25%	0.253	S	S	.	.			trans	-79.8	46.1	179.3	-165	14.8	0	0	0	111.6	A287 D289 F291	A287-N373 PolarHBondContact O-ND2 2.99Å; D289-N373 PolarHBondContact O-N 2.63Å; F291-N373 HydrophobicContact CD1-CB 3.97Å; F291-N373 HydrophobicContact CD2-CB 4.35Å; F291-N373 HydrophobicContact CE1-CB 3.73Å; F291-N373 VanDerWaalsContact CE1-CG 3.41Å; F291-N373 WeakPolarHBondContact CE1-OD1 3.47Å; F291-N373 HydrophobicContact CE2-CB 4.15Å; F291-N373 HydrophobicContact CG-CB 4.28Å; F291-N373 HydrophobicContact CZ-CB 3.83Å; F291-N373 WeakPolarHBondContact CZ-OD1 3.4Å
374	E	86.1	Confident	90.8	Very high	56 Å²	56	45.1 Å²	45.1	26%	0.262	24%	0.238	S	C	.	.	P	Polyproline II helix	trans	-84.4	151.8	178.9	-68.8	174.8	-160.3	0	0	110.4	R372 L376 H380	R372-E374 HydrophobicContact CB-CG 4Å; R372-E374 WeakPolarHBondContact CD-OE1 3.28Å; R372-E374 IonicContact NH1-OE1 2.74Å; R372-E374 PolarHBondContact O-N 3.21Å; E374-L376 PolarHBondContact O-N 2.76Å; E374-H380 IonicContact OE2-CD2 3.58Å; E374-H380 PolarHBondContact OE2-CD2 2.94Å; E374-H380 VanDerWaalsContact OE2-CD2 3.23Å; E374-H380 IonicContact OE2-CG 3.73Å
375	T	82.8	Confident	90.7	Very high	123 Å²	123	44.2 Å²	44.2	76%	0.755	24%	0.235	S	C	*	.	P	Polyproline II helix	trans	-67.1	124.5	176	-60.9	0	0	0	0	109.6	D377	T375-D377 PolarHBondContact O-N 2.98Å
376	L	80.5	Confident	90.7	Very high	108 Å²	108	45 Å²	45	57%	0.565	24%	0.239	S	C	*	.	P	Polyproline II helix	trans	-62.7	118.9	178.9	-65.2	171.2	0	0	0	111.2	E374 A382	E374-L376 PolarHBondContact O-N 2.76Å; L376-A382 HydrophobicContact CD2-CB 3.86Å; L376-A382 VanDerWaalsContact CD2-N 3.25Å
377	D	82.8	Confident	90.7	Very high	60 Å²	60	45 Å²	45	32%	0.321	24%	0.239	S	C	.	.			trans	-136.8	-163.5	175.7	68.5	32.2	0	0	0	111.5	T375 T379 H380	T375-D377 PolarHBondContact O-N 2.98Å; D377-T379 PolarHBondContact O-N 2.91Å; D377-T379 WeakPolarHBondContact OD1-CA 3.37Å; D377-T379 PolarHBondContact OD1-N 3.24Å; D377-T379 PolarHBondContact OD1-OG1 3.49Å; D377-H380 VanDerWaalsContact CG-ND1 3.33Å; D377-H380 PolarHBondContact N-O 3.18Å; D377-H380 IonicContact OD1-CG 2.98Å; D377-H380 PolarHBondContact OD1-N 3.3Å; D377-H380 IonicContact OD1-ND1 3.76Å; D377-H380 PolarHBondContact OD1-ND1 3.42Å; D377-H380 VanDerWaalsContact OD1-ND1 3.07Å; D377-H380 IonicContact OD2-CE1 2.83Å; D377-H380 IonicContact OD2-CG 3.74Å; D377-H380 IonicContact OD2-ND1 3.77Å; D377-H380 PolarHBondContact OD2-ND1 3.2Å
378	A	77.4	Confident	90.7	Very high	45 Å²	45	45.2 Å²	45.2	37%	0.372	24%	0.24	S	C	.	.	S	Bend	trans	-72.6	-13	-179.6	0	0	0	0	0	113.6	I488	A378-I488 WeakPolarHBondContact O-CG2 3.28Å; A378-I488 PolarHBondContact O-N 3.04Å; A378-I488 VanDerWaalsContact O-N 3.12Å
379	T	76.3	Confident	90.7	Very high	91 Å²	91	44.4 Å²	44.4	56%	0.558	24%	0.235	S	C	*	.	S	Bend	trans	-122.4	-23.7	-171.9	44.5	0	0	0	0	113.9	D377	D377-T379 PolarHBondContact O-N 2.91Å; D377-T379 WeakPolarHBondContact OD1-CA 3.37Å; D377-T379 PolarHBondContact OD1-N 3.24Å; D377-T379 PolarHBondContact OD1-OG1 3.49Å
380	H	82.7	Confident	90.8	Very high	81 Å²	81	42 Å²	42	38%	0.375	23%	0.227	S	C	.	.			trans	-117.7	131.2	-176.5	-56	97.4	0	0	0	110.9	E374 D377	E374-H380 IonicContact OE2-CD2 3.58Å; E374-H380 PolarHBondContact OE2-CD2 2.94Å; E374-H380 VanDerWaalsContact OE2-CD2 3.23Å; E374-H380 IonicContact OE2-CG 3.73Å; D377-H380 VanDerWaalsContact CG-ND1 3.33Å; D377-H380 PolarHBondContact N-O 3.18Å; D377-H380 IonicContact OD1-CG 2.98Å; D377-H380 PolarHBondContact OD1-N 3.3Å; D377-H380 IonicContact OD1-ND1 3.76Å; D377-H380 PolarHBondContact OD1-ND1 3.42Å; D377-H380 VanDerWaalsContact OD1-ND1 3.07Å; D377-H380 IonicContact OD2-CE1 2.83Å; D377-H380 IonicContact OD2-CG 3.74Å; D377-H380 IonicContact OD2-ND1 3.77Å; D377-H380 PolarHBondContact OD2-ND1 3.2Å
381	L	88.2	Confident	90.9	Very high	16 Å²	16	42.4 Å²	42.4	8%	0.084	23%	0.229	C	C	.	.			trans	-112.8	147.7	170.1	-67.8	178	0	0	0	109.2	E383 I488 R489	L381-E383 WeakPolarHBondContact CB-O 3.49Å; L381-E383 PolarHBondContact O-N 3Å; L381-I488 HydrophobicContact CD1-CD1 3.95Å; L381-I488 HydrophobicContact CD1-CG1 3.74Å; L381-I488 HydrophobicContact CD1-CG2 4.4Å; L381-I488 HydrophobicContact CD2-CG2 3.89Å; L381-I488 HydrophobicContact CG-CB 4.45Å; L381-I488 HydrophobicContact CG-CD1 3.93Å; L381-I488 HydrophobicContact CG-CG1 3.95Å; L381-I488 HydrophobicContact CG-CG2 3.75Å; L381-R489 HydrophobicContact CD2-CG 3.82Å
382	A	92.8	Very high	90.9	Very high	26 Å²	26	41.5 Å²	41.5	22%	0.215	23%	0.225	C	C	.	.	S	Bend	trans	-66.7	-24.6	172.7	0	0	0	0	0	112.3	F291 F371 R372 L376	F291-A382 HydrophobicContact CE2-CB 4.23Å; F291-A382 HydrophobicContact CZ-CB 4.24Å; F371-A382 CarbonylContact C-O 3.55Å; F371-A382 VanDerWaalsContact CA-O 3.32Å; F371-A382 WeakPolarHBondContact CA-O 3.5Å; R372-A382 PolarHBondContact N-O 3.42Å; R372-A382 VanDerWaalsContact O-CA 3.31Å; R372-A382 WeakPolarHBondContact O-CA 3.38Å; L376-A382 HydrophobicContact CD2-CB 3.86Å; L376-A382 VanDerWaalsContact CD2-N 3.25Å
383	E	94.2	Very high	91.1	Very high	63 Å²	63	38.8 Å²	38.8	29%	0.294	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	134.2	172.1	58.6	171.8	-166.9	0	0	110.6	R369 V370 F371 L381 F492	R369-E383 WeakPolarHBondContact CD-OE2 3.49Å; R369-E383 HydrophobicContact CG-CB 4.22Å; R369-E383 IonicContact CZ-OE2 3.29Å; R369-E383 IonicContact NE-OE2 2.61Å; R369-E383 VanDerWaalsContact NH1-CD 3.31Å; R369-E383 IonicContact NH1-OE1 2.73Å; R369-E383 PolarHBondContact NH1-OE1 3.5Å; R369-E383 IonicContact NH1-OE2 2.79Å; R369-E383 PolarHBondContact NH1-OE2 3.49Å; V370-E383 WeakPolarHBondContact O-CA 3.45Å; F371-E383 HydrophobicContact CD1-CB 3.81Å; F371-E383 HydrophobicContact CE1-CB 3.99Å; L381-E383 WeakPolarHBondContact CB-O 3.49Å; L381-E383 PolarHBondContact O-N 3Å; E383-F492 HydrophobicContact CG-CE1 4.18Å; E383-F492 WeakPolarHBondContact OE1-CE1 3.27Å
384	F	94.6	Very high	91.3	Very high	21 Å²	21	40.9 Å²	40.9	9%	0.092	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.5	168.7	179.5	64.7	-88.9	0	0	0	110.1	R369 V370 R372 E476	R369-F384 CarbonylContact C-O 3.39Å; R369-F384 VanDerWaalsContact CA-O 3.28Å; R369-F384 WeakPolarHBondContact CA-O 3.49Å; V370-F384 HydrophobicContact CG2-CD1 4.2Å; V370-F384 HydrophobicContact CG2-CD2 3.84Å; V370-F384 HydrophobicContact CG2-CE1 3.83Å; V370-F384 HydrophobicContact CG2-CE2 3.42Å; V370-F384 VanDerWaalsContact CG2-CE2 3.42Å; V370-F384 HydrophobicContact CG2-CG 4.2Å; V370-F384 HydrophobicContact CG2-CZ 3.42Å; V370-F384 VanDerWaalsContact CG2-CZ 3.42Å; V370-F384 PolarHBondContact N-O 2.94Å; V370-F384 PolarHBondContact O-N 3.22Å; V370-F384 VanDerWaalsContact O-N 3.14Å; R372-F384 HydrophobicContact CG-CE1 4.04Å; F384-E476 HydrophobicContact CB-CG 4.47Å
385	H	96.6	Very high	91.7	Very high	12 Å²	12	43.6 Å²	43.6	6%	0.056	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	124.9	-177.9	-53.6	75.2	0	0	0	110.6	D368 S474 L475 E476	D368-H385 CarbonylContact O-C 3.6Å; D368-H385 WeakPolarHBondContact O-CA 3.32Å; H385-S474 WeakPolarHBondContact O-CA 3.46Å; H385-L475 HydrophobicContact CB-CB 3.88Å; H385-L475 HydrophobicContact CB-CD2 3.9Å; H385-L475 PolarHBondContact O-N 3.33Å; H385-E476 IonicContact CE1-OE1 3.68Å; H385-E476 IonicContact CG-OE1 2.86Å; H385-E476 VanDerWaalsContact N-CD 3.34Å; H385-E476 PolarHBondContact N-OE1 3.48Å; H385-E476 PolarHBondContact N-OE2 3.25Å; H385-E476 VanDerWaalsContact N-OE2 3.15Å; H385-E476 IonicContact ND1-OE1 3.68Å; H385-E476 PolarHBondContact ND1-OE1 2.92Å
386	Q	97.1	Very high	92.4	Very high	18 Å²	18	38.8 Å²	38.8	8%	0.084	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	130.6	173.8	-174.7	171.2	-48.5	0	0	109.5	T342 I367 D368 V370 E388	T342-Q386 HydrophobicContact CG2-CB 4.15Å; T342-Q386 WeakPolarHBondContact OG1-CG 3.33Å; T342-Q386 PolarHBondContact OG1-NE2 3.15Å; T342-Q386 VanDerWaalsContact OG1-NE2 3.1Å; I367-Q386 WeakPolarHBondContact CA-O 3.36Å; D368-Q386 PolarHBondContact N-O 3.4Å; D368-Q386 VanDerWaalsContact N-O 3.08Å; D368-Q386 PolarHBondContact O-N 3.47Å; V370-Q386 HydrophobicContact CG1-CB 4.01Å; V370-Q386 HydrophobicContact CG2-CB 4.13Å; Q386-E388 PolarHBondContact NE2-OE2 2.87Å
387	I	97.9	Very high	93.2	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	132.2	167.5	-62.1	156.7	0	0	0	106.9	F248 F252 S366 I367 G472 L473 L475	F248-I387 HydrophobicContact CB-CD1 4.26Å; F248-I387 HydrophobicContact CD1-CD1 3.62Å; F248-I387 HydrophobicContact CD2-CD1 3.76Å; F248-I387 HydrophobicContact CE1-CD1 3.75Å; F248-I387 HydrophobicContact CE2-CD1 3.92Å; F248-I387 HydrophobicContact CG-CD1 3.61Å; F248-I387 HydrophobicContact CZ-CD1 3.92Å; F252-I387 HydrophobicContact CE2-CG2 3.39Å; F252-I387 HydrophobicContact CZ-CG2 3.73Å; S366-I387 WeakPolarHBondContact O-CA 3.36Å; I367-I387 HydrophobicContact CB-CG1 4.38Å; I367-I387 HydrophobicContact CD1-CG1 4.33Å; I367-I387 HydrophobicContact CG1-CB 4.47Å; I367-I387 HydrophobicContact CG1-CG1 4.02Å; I367-I387 HydrophobicContact CG1-CG2 4.24Å; I367-I387 HydrophobicContact CG2-CG1 3.72Å; I387-G472 CarbonylContact O-C 3.56Å; I387-G472 WeakPolarHBondContact O-CA 3.15Å; I387-L473 HydrophobicContact CB-CD2 4.15Å; I387-L473 HydrophobicContact CB-CG 4.15Å; I387-L473 HydrophobicContact CD1-CD1 4.21Å; I387-L473 HydrophobicContact CD1-CG 4.08Å; I387-L473 HydrophobicContact CG2-CD2 4.04Å; I387-L473 PolarHBondContact N-O 3.46Å; I387-L473 PolarHBondContact O-N 2.91Å; I387-L475 HydrophobicContact CD1-CB 4.08Å; I387-L475 HydrophobicContact CD1-CD1 3.74Å; I387-L475 HydrophobicContact CG1-CB 4.32Å; I387-L475 HydrophobicContact CG1-CD1 4.33Å
388	E	98.2	Very high	93.9	Very high	6 Å²	6	35.7 Å²	35.7	3%	0.028	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	136.7	173.9	-167.6	172	112.9	0	0	110.8	T342 T343 S346 F365 S366 Q386 I390 W471	T342-E388 WeakPolarHBondContact OG1-CB 3.46Å; T342-E388 PolarHBondContact OG1-OE2 3.42Å; T343-E388 VanDerWaalsContact CA-OE1 3.3Å; T343-E388 WeakPolarHBondContact CA-OE1 3.48Å; T343-E388 WeakPolarHBondContact CA-OE2 3.49Å; T343-E388 WeakPolarHBondContact CB-OE2 3.37Å; T343-E388 PolarHBondContact N-OE2 2.9Å; T343-E388 VanDerWaalsContact N-OE2 3.12Å; T343-E388 PolarHBondContact OG1-OE2 3.02Å; S346-E388 VanDerWaalsContact CB-OE1 3.23Å; S346-E388 WeakPolarHBondContact CB-OE1 3.3Å; S346-E388 PolarHBondContact OG-OE1 3.39Å; F365-E388 CarbonylContact C-O 3.57Å; F365-E388 WeakPolarHBondContact CA-O 3.34Å; F365-E388 WeakPolarHBondContact CB-O 3.3Å; S366-E388 PolarHBondContact N-O 3.18Å; S366-E388 PolarHBondContact O-N 3.12Å; Q386-E388 PolarHBondContact NE2-OE2 2.87Å; E388-I390 HydrophobicContact CG-CG2 4.31Å; E388-W471 WeakPolarHBondContact CA-O 3.47Å; E388-W471 WeakPolarHBondContact CG-O 3.3Å
389	G	98.4	Very high	94.9	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	136	171.3	0	0	0	0	0	110.3	A470 W471	G389-A470 CarbonylContact O-C 3.58Å; G389-A470 VanDerWaalsContact O-CA 3.26Å; G389-A470 WeakPolarHBondContact O-CA 3.4Å; G389-W471 PolarHBondContact N-O 3.5Å; G389-W471 VanDerWaalsContact O-CE3 3.26Å; G389-W471 PolarHBondContact O-N 2.87Å
390	I	98.3	Very high	95.9	Very high	1 Å²	1	37.4 Å²	37.4	1%	0.005	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	143.5	176.9	66.3	169.1	0	0	0	110.7	F257 M260 L350 K363 Y364 E388 F452 V468 I469 A470	F257-I390 WeakPolarHBondContact CE1-O 3.45Å; M260-I390 HydrophobicContact CE-CD1 4.41Å; M260-I390 HydrophobicContact CE-CG1 4.44Å; M260-I390 HydrophobicContact SD-CD1 3.99Å; M260-I390 HydrophobicContact SD-CG1 4.45Å; L350-I390 HydrophobicContact CD2-CD1 4.2Å; L350-I390 HydrophobicContact CG-CD1 4.19Å; K363-I390 WeakPolarHBondContact CA-O 3.31Å; Y364-I390 HydrophobicContact CD2-CD1 3.83Å; Y364-I390 HydrophobicContact CD2-CG1 4.14Å; Y364-I390 HydrophobicContact CG-CD1 4.4Å; Y364-I390 HydrophobicContact CG-CG1 4.39Å; Y364-I390 PolarHBondContact N-O 2.94Å; Y364-I390 PolarHBondContact O-N 2.83Å; E388-I390 HydrophobicContact CG-CG2 4.31Å; I390-F452 HydrophobicContact CG2-CE2 4.24Å; I390-V468 HydrophobicContact CB-CG1 4.43Å; I390-I469 CarbonylContact C-O 3.54Å; I390-I469 WeakPolarHBondContact CA-O 2.87Å; I390-A470 HydrophobicContact CB-CB 4.48Å; I390-A470 HydrophobicContact CG2-CB 3.73Å
391	V	98.6	Very high	96.7	Very high	8 Å²	8	33.5 Å²	33.5	5%	0.048	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	122.3	173.5	-177.3	0	0	0	0	108.8	F257 A362 K363 L396 I404 V468 I469 W471	F257-V391 HydrophobicContact CE1-CG2 3.52Å; F257-V391 HydrophobicContact CZ-CG2 3.37Å; A362-V391 WeakPolarHBondContact O-CA 3.4Å; K363-V391 HydrophobicContact CB-CG2 4.48Å; K363-V391 HydrophobicContact CG-CG1 4.04Å; K363-V391 HydrophobicContact CG-CG2 4.05Å; V391-L396 HydrophobicContact CB-CD1 4.34Å; V391-L396 HydrophobicContact CG1-CD1 3.96Å; V391-L396 VanDerWaalsContact O-CD1 3.31Å; V391-L396 WeakPolarHBondContact O-CD1 3.49Å; V391-I404 HydrophobicContact CB-CD1 4.47Å; V391-I404 HydrophobicContact CG2-CD1 3.81Å; V391-V468 CarbonylContact O-C 3.56Å; V391-V468 VanDerWaalsContact O-CA 3.27Å; V391-V468 WeakPolarHBondContact O-CA 3.41Å; V391-V468 WeakPolarHBondContact O-CG1 3.48Å; V391-I469 HydrophobicContact CB-CD1 4.13Å; V391-I469 HydrophobicContact CB-CG1 3.76Å; V391-I469 HydrophobicContact CG2-CG1 4.42Å; V391-I469 PolarHBondContact N-O 3.34Å; V391-I469 PolarHBondContact O-N 2.94Å; V391-W471 HydrophobicContact CG2-CZ3 4.4Å
392	A	98.4	Very high	97.1	Very high	1 Å²	1	35 Å²	35	1%	0.008	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	118.2	175.6	0	0	0	0	0	109	L350 L353 F359 P361 A362 V468	L350-A392 HydrophobicContact CD2-CB 4.13Å; L353-A392 HydrophobicContact CD2-CB 3.79Å; F359-A392 HydrophobicContact CZ-CB 4.32Å; P361-A392 CarbonylContact C-O 3.57Å; P361-A392 VanDerWaalsContact CA-O 3.24Å; P361-A392 WeakPolarHBondContact CA-O 3.39Å; A362-A392 PolarHBondContact N-O 2.96Å; A362-A392 PolarHBondContact O-N 3.3Å; A392-V468 HydrophobicContact CB-CG1 4.35Å; A392-V468 HydrophobicContact CB-CG2 3.75Å
393	A	98.1	Very high	97.3	Very high	19 Å²	19	35.4 Å²	35.4	16%	0.157	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.9	169.8	176.2	0	0	0	0	0	110.4	P361 L396 N467	P361-A393 HydrophobicContact CB-CB 4.06Å; A393-L396 HydrophobicContact CB-CD1 3.92Å; A393-L396 HydrophobicContact CB-CD2 4Å; A393-L396 HydrophobicContact CB-CG 3.86Å; A393-N467 PolarHBondContact N-O 3.43Å; A393-N467 VanDerWaalsContact N-O 3.17Å; A393-N467 PolarHBondContact O-N 3.27Å
394	E	97	Very high	97.5	Very high	104 Å²	104	34 Å²	34	49%	0.486	19%	0.192	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	138.5	175.7	-60.1	179.1	172	0	0	110.4	F359 L396 N465 V466	F359-E394 HydrophobicContact CE1-CG 4.43Å; E394-L396 VanDerWaalsContact C-N 3.29Å; E394-L396 PolarHBondContact O-N 3.42Å; E394-N465 CarbonylContact C-O 3.59Å; E394-N465 VanDerWaalsContact CA-O 3.23Å; E394-N465 WeakPolarHBondContact CA-O 3.38Å; E394-N465 WeakPolarHBondContact CG-ND2 3.5Å; E394-N465 PolarHBondContact OE1-ND2 3.41Å; E394-V466 HydrophobicContact CG-CG2 4Å
395	D	95.7	Very high	97.6	Very high	113 Å²	113	33 Å²	33	60%	0.604	19%	0.188	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.5	34.5	171.8	-53.9	-50.5	0	0	0	115.4	N465	D395-N465 PolarHBondContact N-O 2.84Å
396	L	97.7	Very high	97.6	Very high	22 Å²	22	37 Å²	37	12%	0.115	20%	0.203	C	C	.	.			trans	-67.3	147.1	171.6	-63.2	178.5	0	0	0	110.9	V391 A393 E394 H400 M451 N467 I469	V391-L396 HydrophobicContact CB-CD1 4.34Å; V391-L396 HydrophobicContact CG1-CD1 3.96Å; V391-L396 VanDerWaalsContact O-CD1 3.31Å; V391-L396 WeakPolarHBondContact O-CD1 3.49Å; A393-L396 HydrophobicContact CB-CD1 3.92Å; A393-L396 HydrophobicContact CB-CD2 4Å; A393-L396 HydrophobicContact CB-CG 3.86Å; E394-L396 VanDerWaalsContact C-N 3.29Å; E394-L396 PolarHBondContact O-N 3.42Å; L396-H400 HydrophobicContact CD2-CB 4.12Å; L396-M451 VanDerWaalsContact O-CE 3.25Å; L396-M451 WeakPolarHBondContact O-CE 3.42Å; L396-N467 HydrophobicContact CB-CB 4.01Å; L396-N467 WeakPolarHBondContact CD1-O 3.22Å; L396-I469 HydrophobicContact CB-CG2 3.98Å; L396-I469 HydrophobicContact CD1-CD1 4.05Å; L396-I469 HydrophobicContact CD1-CG1 3.94Å; L396-I469 HydrophobicContact CD1-CG2 4.23Å
397	S	97.1	Very high	97.5	Very high	40 Å²	40	41.3 Å²	41.3	28%	0.28	22%	0.224	S	C	.	.			trans	-138.1	171.7	-174.3	72.5	0	0	0	0	110	S399 H400 L401	S397-S399 PolarHBondContact O-N 3.47Å; S397-S399 PolarHBondContact OG-OG 3.49Å; S397-H400 PolarHBondContact N-ND1 2.81Å; S397-H400 VanDerWaalsContact N-ND1 3.15Å; S397-H400 WeakPolarHBondContact O-CB 3.35Å; S397-H400 PolarHBondContact O-N 3.43Å; S397-H400 PolarHBondContact OG-ND1 3.27Å; S397-L401 PolarHBondContact O-N 3.09Å
398	L	97.4	Very high	97.4	Very high	63 Å²	63	41.3 Å²	41.3	33%	0.33	22%	0.224	S	C	.	.	H	α-helix	trans	-58	-33.2	178.3	-161.3	62.3	0	0	0	113.2	H400 L401 I402 P429 M431 M451	L398-H400 VanDerWaalsContact C-N 3.31Å; L398-H400 PolarHBondContact O-N 2.91Å; L398-L401 HydrophobicContact CD1-CD2 4.3Å; L398-L401 PolarHBondContact O-N 3.42Å; L398-I402 HydrophobicContact CG-CD1 4.29Å; L398-I402 WeakPolarHBondContact O-CG1 3.42Å; L398-I402 PolarHBondContact O-N 3.49Å; L398-P429 HydrophobicContact CD1-CB 4.4Å; L398-P429 HydrophobicContact CD1-CG 3.54Å; L398-P429 HydrophobicContact CD2-CG 4.26Å; L398-P429 HydrophobicContact CG-CG 4.37Å; L398-M431 HydrophobicContact CD1-CE 3.03Å; L398-M431 HydrophobicContact CD2-CE 3.96Å; L398-M431 HydrophobicContact CG-CE 3.54Å; L398-M451 HydrophobicContact CB-SD 4.37Å; L398-M451 HydrophobicContact CD1-CG 4.46Å; L398-M451 HydrophobicContact CD1-SD 4.31Å
399	S	97.6	Very high	97.1	Very high	80 Å²	80	41.1 Å²	41.1	56%	0.559	22%	0.223	S	C	*	.	H	α-helix	trans	-66.5	-34.6	177.7	58.7	0	0	0	0	112.1	S397 G403	S397-S399 PolarHBondContact O-N 3.47Å; S397-S399 PolarHBondContact OG-OG 3.49Å; S399-G403 PolarHBondContact O-N 2.89Å
400	H	98.2	Very high	96.8	Very high	91 Å²	91	46.7 Å²	46.7	42%	0.421	25%	0.249	S	C	.	.	H	α-helix	trans	-66.5	-42.7	174.6	-63.9	116.1	0	0	0	111.3	L396 S397 L398 G403 I404 I469	L396-H400 HydrophobicContact CD2-CB 4.12Å; S397-H400 PolarHBondContact N-ND1 2.81Å; S397-H400 VanDerWaalsContact N-ND1 3.15Å; S397-H400 WeakPolarHBondContact O-CB 3.35Å; S397-H400 PolarHBondContact O-N 3.43Å; S397-H400 PolarHBondContact OG-ND1 3.27Å; L398-H400 VanDerWaalsContact C-N 3.31Å; L398-H400 PolarHBondContact O-N 2.91Å; H400-G403 PolarHBondContact O-N 3.23Å; H400-I404 WeakPolarHBondContact O-CG1 3.36Å; H400-I404 PolarHBondContact O-N 2.82Å; H400-I469 HydrophobicContact CB-CD1 4.2Å
401	L	98.1	Very high	96.5	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-58.4	-52.2	173.8	176.4	57	0	0	0	111	S397 L398 G403 I404 L405 M431 I469	S397-L401 PolarHBondContact O-N 3.09Å; L398-L401 HydrophobicContact CD1-CD2 4.3Å; L398-L401 PolarHBondContact O-N 3.42Å; L401-G403 VanDerWaalsContact C-N 3.32Å; L401-G403 PolarHBondContact O-N 3.42Å; L401-I404 PolarHBondContact O-N 3.41Å; L401-L405 HydrophobicContact CD1-CD1 3.92Å; L401-L405 HydrophobicContact CD1-CD2 4.48Å; L401-L405 HydrophobicContact CD1-CG 4.01Å; L401-L405 HydrophobicContact CG-CD1 3.98Å; L401-L405 HydrophobicContact CG-CG 4.47Å; L401-L405 VanDerWaalsContact O-CG 3.25Å; L401-L405 WeakPolarHBondContact O-CG 3.48Å; L401-L405 PolarHBondContact O-N 2.76Å; L401-M431 HydrophobicContact CD2-CE 4.12Å; L401-I469 HydrophobicContact CB-CB 4.13Å; L401-I469 HydrophobicContact CB-CD1 4.26Å; L401-I469 HydrophobicContact CB-CG2 4.22Å; L401-I469 HydrophobicContact CD1-CB 4.21Å
402	I	97.4	Very high	95.9	Very high	47 Å²	47	50.3 Å²	50.3	24%	0.241	26%	0.264	C	S	.	.	H	α-helix	trans	-58.4	-43.9	178.7	-69.9	168.7	0	0	0	111.4	L398 L405 Y406 F419 M431	L398-I402 HydrophobicContact CG-CD1 4.29Å; L398-I402 WeakPolarHBondContact O-CG1 3.42Å; L398-I402 PolarHBondContact O-N 3.49Å; I402-L405 PolarHBondContact O-N 3.01Å; I402-Y406 HydrophobicContact CG2-CD2 3.71Å; I402-Y406 HydrophobicContact CG2-CE2 3.6Å; I402-Y406 VanDerWaalsContact O-CD2 3.3Å; I402-Y406 WeakPolarHBondContact O-CD2 3.45Å; I402-Y406 PolarHBondContact O-N 3.37Å; I402-F419 HydrophobicContact CB-CE2 4.5Å; I402-F419 HydrophobicContact CG1-CD2 4.34Å; I402-F419 HydrophobicContact CG1-CE2 4.28Å; I402-F419 HydrophobicContact CG1-CZ 4.43Å; I402-F419 HydrophobicContact CG2-CD2 4.4Å; I402-F419 HydrophobicContact CG2-CE2 3.68Å; I402-F419 HydrophobicContact CG2-CZ 3.95Å; I402-M431 HydrophobicContact CD1-CE 4.21Å; I402-M431 HydrophobicContact CG1-CE 3.98Å; I402-M431 HydrophobicContact CG1-SD 3.99Å
403	G	97.3	Very high	95.3	Very high	35 Å²	35	52.6 Å²	52.6	36%	0.361	29%	0.287	S	S	.	.	H	α-helix	trans	-60.3	-46	178.3	0	0	0	0	0	112.8	S399 H400 L401 L405 Y406 E407	S399-G403 PolarHBondContact O-N 2.89Å; H400-G403 PolarHBondContact O-N 3.23Å; L401-G403 VanDerWaalsContact C-N 3.32Å; L401-G403 PolarHBondContact O-N 3.42Å; G403-L405 VanDerWaalsContact C-N 3.33Å; G403-L405 PolarHBondContact O-N 3.41Å; G403-Y406 PolarHBondContact O-N 3.05Å; G403-E407 PolarHBondContact O-N 3.42Å; G403-E407 VanDerWaalsContact O-N 3.13Å
404	I	97.1	Very high	94.7	Very high	32 Å²	32	54.1 Å²	54.1	16%	0.164	29%	0.292	C	S	.	.	H	α-helix	trans	-64.5	-39.2	176.7	-70.8	-178	0	0	0	111.4	M255 F257 V391 H400 L401 E407 F408 I469 W471	M255-I404 HydrophobicContact CE-CG2 4.02Å; F257-I404 HydrophobicContact CZ-CG2 4.47Å; V391-I404 HydrophobicContact CB-CD1 4.47Å; V391-I404 HydrophobicContact CG2-CD1 3.81Å; H400-I404 WeakPolarHBondContact O-CG1 3.36Å; H400-I404 PolarHBondContact O-N 2.82Å; L401-I404 PolarHBondContact O-N 3.41Å; I404-E407 PolarHBondContact O-N 3Å; I404-F408 VanDerWaalsContact O-CB 3.28Å; I404-F408 WeakPolarHBondContact O-CB 3.4Å; I404-F408 PolarHBondContact O-N 2.78Å; I404-I469 HydrophobicContact CD1-CD1 3.86Å; I404-W471 HydrophobicContact CG2-CE3 4.44Å; I404-W471 HydrophobicContact CG2-CH2 3.51Å; I404-W471 HydrophobicContact CG2-CZ2 4.24Å; I404-W471 HydrophobicContact CG2-CZ3 3.64Å
405	L	97.2	Very high	94.2	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-63	-42.1	176.8	-69.1	175.4	0	0	0	111.5	L401 I402 G403 F408 F409 F419 M431 I433 W471	L401-L405 HydrophobicContact CD1-CD1 3.92Å; L401-L405 HydrophobicContact CD1-CD2 4.48Å; L401-L405 HydrophobicContact CD1-CG 4.01Å; L401-L405 HydrophobicContact CG-CD1 3.98Å; L401-L405 HydrophobicContact CG-CG 4.47Å; L401-L405 VanDerWaalsContact O-CG 3.25Å; L401-L405 WeakPolarHBondContact O-CG 3.48Å; L401-L405 PolarHBondContact O-N 2.76Å; I402-L405 PolarHBondContact O-N 3.01Å; G403-L405 VanDerWaalsContact C-N 3.33Å; G403-L405 PolarHBondContact O-N 3.41Å; L405-F408 PolarHBondContact O-N 3.16Å; L405-F409 HydrophobicContact CD2-CE2 4.26Å; L405-F409 WeakPolarHBondContact O-CB 3.23Å; L405-F409 VanDerWaalsContact O-CD2 3.27Å; L405-F409 WeakPolarHBondContact O-CD2 3.16Å; L405-F409 PolarHBondContact O-N 2.98Å; L405-F419 HydrophobicContact CB-CE1 4.16Å; L405-F419 HydrophobicContact CB-CZ 4.39Å; L405-F419 HydrophobicContact CD1-CD1 4.32Å; L405-F419 HydrophobicContact CD1-CE1 3.7Å; L405-M431 HydrophobicContact CD1-SD 4.39Å; L405-I433 HydrophobicContact CD1-CD1 3.66Å; L405-I433 HydrophobicContact CD1-CG1 4.07Å; L405-I433 HydrophobicContact CD2-CD1 3.59Å; L405-I433 HydrophobicContact CG-CD1 4.21Å; L405-W471 HydrophobicContact CD2-CB 3.7Å; L405-W471 HydrophobicContact CD2-CD2 3.88Å; L405-W471 HydrophobicContact CD2-CG 3.49Å; L405-W471 VanDerWaalsContact CD2-CG 3.49Å
406	Y	96.2	Very high	94.1	Very high	97 Å²	97	53.1 Å²	53.1	38%	0.38	29%	0.291	S	S	.	.	H	α-helix	trans	-58.7	-49.1	173.4	-87.7	-69.5	0	0	0	112.1	I402 G403 F408 Q410 L417 F419	I402-Y406 HydrophobicContact CG2-CD2 3.71Å; I402-Y406 HydrophobicContact CG2-CE2 3.6Å; I402-Y406 VanDerWaalsContact O-CD2 3.3Å; I402-Y406 WeakPolarHBondContact O-CD2 3.45Å; I402-Y406 PolarHBondContact O-N 3.37Å; G403-Y406 PolarHBondContact O-N 3.05Å; Y406-F408 PolarHBondContact O-N 2.78Å; Y406-Q410 WeakPolarHBondContact O-CB 3.11Å; Y406-Q410 PolarHBondContact O-N 3.2Å; Y406-L417 HydrophobicContact CD1-CB 4.39Å; Y406-L417 HydrophobicContact CD1-CD1 3.68Å; Y406-L417 HydrophobicContact CD1-CG 4.22Å; Y406-L417 HydrophobicContact CE1-CB 3.8Å; Y406-L417 HydrophobicContact CE1-CD1 3.95Å; Y406-L417 HydrophobicContact CE1-CG 4.08Å; Y406-L417 HydrophobicContact CG-CD1 4.1Å; Y406-F419 HydrophobicContact CD2-CE2 4.47Å; Y406-F419 HydrophobicContact CD2-CZ 4.36Å; Y406-F419 AromaticContact CE2-CE2 3.71Å; Y406-F419 HydrophobicContact CE2-CE2 3.71Å; Y406-F419 HydrophobicContact CE2-CZ 4.01Å
407	E	95.9	Very high	93.9	Very high	108 Å²	108	52.6 Å²	52.6	51%	0.505	29%	0.288	S	S	.	.	H	α-helix	trans	-61.1	-43.1	177.9	-69.7	-65.5	154.2	0	0	112.3	M255 G403 I404 K411	M255-E407 HydrophobicContact CE-CB 4Å; G403-E407 PolarHBondContact O-N 3.42Å; G403-E407 VanDerWaalsContact O-N 3.13Å; I404-E407 PolarHBondContact O-N 3Å; E407-K411 PolarHBondContact O-N 3.13Å
408	F	95.6	Very high	93.9	Very high	0 Å²	0	57.9 Å²	57.9	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-63.2	-50.3	179.5	178.1	-98.8	0	0	0	112.1	F248 I251 F252 M255 I404 L405 Y406 K411 L412 W471 L473	F248-F408 HydrophobicContact CD1-CE2 4.38Å; F248-F408 AromaticContact CD1-CZ 3.71Å; F248-F408 HydrophobicContact CD1-CZ 3.71Å; F248-F408 HydrophobicContact CE1-CE1 4.13Å; F248-F408 AromaticContact CE1-CZ 3.72Å; F248-F408 HydrophobicContact CE1-CZ 3.72Å; I251-F408 HydrophobicContact CG2-CD2 3.82Å; I251-F408 HydrophobicContact CG2-CE2 3.97Å; F252-F408 HydrophobicContact CD1-CE2 4.36Å; F252-F408 HydrophobicContact CD2-CE2 4.19Å; F252-F408 HydrophobicContact CE1-CD2 4.31Å; F252-F408 AromaticContact CE1-CE2 3.86Å; F252-F408 HydrophobicContact CE1-CE2 3.86Å; F252-F408 AromaticContact CE2-CE2 3.62Å; F252-F408 HydrophobicContact CE2-CE2 3.62Å; F252-F408 HydrophobicContact CE2-CZ 4.05Å; F252-F408 HydrophobicContact CZ-CD2 4.3Å; F252-F408 AromaticContact CZ-CE2 3.45Å; F252-F408 HydrophobicContact CZ-CE2 3.45Å; F252-F408 VanDerWaalsContact CZ-CE2 3.45Å; F252-F408 AromaticContact CZ-CZ 3.93Å; F252-F408 HydrophobicContact CZ-CZ 3.93Å; M255-F408 HydrophobicContact CE-CB 4Å; M255-F408 HydrophobicContact SD-CB 4Å; M255-F408 HydrophobicContact SD-CD2 3.93Å; M255-F408 HydrophobicContact SD-CG 4.48Å; I404-F408 VanDerWaalsContact O-CB 3.28Å; I404-F408 WeakPolarHBondContact O-CB 3.4Å; I404-F408 PolarHBondContact O-N 2.78Å; L405-F408 PolarHBondContact O-N 3.16Å; Y406-F408 PolarHBondContact O-N 2.78Å; F408-K411 PolarHBondContact O-N 3.37Å; F408-L412 HydrophobicContact CD1-CD1 4.16Å; F408-L412 HydrophobicContact CE1-CD1 3.73Å; F408-L412 HydrophobicContact CZ-CD1 4.23Å; F408-W471 HydrophobicContact CB-CZ2 4.44Å; F408-W471 AromaticContact CD1-NE1 3.74Å; F408-W471 AromaticContact CD2-CZ2 3.85Å; F408-W471 HydrophobicContact CD2-CZ2 3.85Å; F408-W471 AromaticContact CE1-NE1 3.68Å; F408-W471 HydrophobicContact CE2-CZ2 4.26Å; F408-W471 HydrophobicContact CG-CZ2 4.1Å; F408-W471 AromaticContact CG-NE1 3.95Å; F408-W471 AromaticContact CZ-NE1 3.84Å; F408-L473 HydrophobicContact CE1-CD2 3.91Å; F408-L473 HydrophobicContact CZ-CD2 4.11Å
409	F	92.5	Very high	93.8	Very high	2 Å²	2	57.6 Å²	57.6	1%	0.009	30%	0.298	C	S	.	.	H	α-helix	trans	-74.4	-29.5	-178.8	-80.6	-73.1	0	0	0	112.7	L405 K411 L412 G413 L414 L417 I433 V446	L405-F409 HydrophobicContact CD2-CE2 4.26Å; L405-F409 WeakPolarHBondContact O-CB 3.23Å; L405-F409 VanDerWaalsContact O-CD2 3.27Å; L405-F409 WeakPolarHBondContact O-CD2 3.16Å; L405-F409 PolarHBondContact O-N 2.98Å; F409-K411 VanDerWaalsContact C-N 3.28Å; F409-K411 PolarHBondContact O-N 2.76Å; F409-L412 HydrophobicContact CD1-CD1 3.92Å; F409-L412 HydrophobicContact CE1-CD1 4.23Å; F409-L412 CarbonylContact O-C 3.53Å; F409-L412 WeakPolarHBondContact O-CA 3.34Å; F409-L412 WeakPolarHBondContact O-CB 3.36Å; F409-L412 PolarHBondContact O-N 3.08Å; F409-G413 PolarHBondContact O-N 3.1Å; F409-L414 CarbonylContact C-O 3.56Å; F409-L414 VanDerWaalsContact C-O 3.25Å; F409-L414 HydrophobicContact CB-CB 4.18Å; F409-L414 HydrophobicContact CD1-CB 4.25Å; F409-L414 HydrophobicContact CD1-CD1 3.84Å; F409-L414 HydrophobicContact CE1-CD1 4.31Å; F409-L414 PolarHBondContact O-N 2.88Å; F409-L417 HydrophobicContact CB-CD1 3.84Å; F409-L417 HydrophobicContact CB-CD2 3.9Å; F409-L417 HydrophobicContact CB-CG 4.33Å; F409-L417 HydrophobicContact CD1-CD2 4.44Å; F409-L417 HydrophobicContact CD2-CD1 3.99Å; F409-L417 HydrophobicContact CD2-CD2 4.15Å; F409-L417 HydrophobicContact CG-CD1 4.2Å; F409-L417 HydrophobicContact CG-CD2 3.91Å; F409-I433 HydrophobicContact CD2-CG2 4.31Å; F409-I433 HydrophobicContact CE2-CD1 3.9Å; F409-I433 HydrophobicContact CE2-CG2 3.77Å; F409-I433 HydrophobicContact CZ-CD1 4.43Å; F409-I433 HydrophobicContact CZ-CG2 4.21Å; F409-V446 HydrophobicContact CD1-CG2 4.37Å; F409-V446 HydrophobicContact CE1-CB 3.87Å; F409-V446 HydrophobicContact CE1-CG2 3.57Å; F409-V446 HydrophobicContact CE2-CG2 4.34Å; F409-V446 HydrophobicContact CZ-CB 4.12Å; F409-V446 HydrophobicContact CZ-CG2 3.56Å
410	Q	92	Very high	93.8	Very high	117 Å²	117	58.8 Å²	58.8	55%	0.547	29%	0.293	S	S	.	.	H	α-helix	trans	-61.3	-38.6	172.1	-178	173.2	0.8	0	0	111.6	Y406 L412 G413	Y406-Q410 WeakPolarHBondContact O-CB 3.11Å; Y406-Q410 PolarHBondContact O-N 3.2Å; Q410-L412 PolarHBondContact O-N 2.67Å; Q410-G413 PolarHBondContact O-N 3.2Å
411	K	91.6	Very high	93.8	Very high	82 Å²	82	59.8 Å²	59.8	36%	0.357	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-18.4	172.9	-74.8	179.8	168.5	-71.3	0	114	I251 E254 M255 E407 F408 F409 G413	I251-K411 HydrophobicContact CD1-CB 4.09Å; I251-K411 HydrophobicContact CG1-CB 4.07Å; I251-K411 HydrophobicContact CG2-CB 3.92Å; I251-K411 HydrophobicContact CG2-CD 3.88Å; E254-K411 IonicContact OE2-NZ 2.59Å; E254-K411 PolarHBondContact OE2-NZ 2.98Å; M255-K411 HydrophobicContact CG-CD 3.96Å; M255-K411 HydrophobicContact SD-CD 4.2Å; E407-K411 PolarHBondContact O-N 3.13Å; F408-K411 PolarHBondContact O-N 3.37Å; F409-K411 VanDerWaalsContact C-N 3.28Å; F409-K411 PolarHBondContact O-N 2.76Å; K411-G413 VanDerWaalsContact C-N 3.34Å
412	L	87	Confident	93.7	Very high	4 Å²	4	61.3 Å²	61.3	2%	0.021	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.8	4.3	171.1	-65.1	166	0	0	0	112.9	F248 I251 F408 F409 Q410 L414 F509	F248-L412 HydrophobicContact CD1-CD1 4.4Å; F248-L412 HydrophobicContact CD1-CD2 4.14Å; F248-L412 HydrophobicContact CE1-CD1 3.48Å; F248-L412 VanDerWaalsContact CE1-CD1 3.48Å; F248-L412 HydrophobicContact CE1-CD2 3.69Å; F248-L412 HydrophobicContact CE1-CG 4.21Å; F248-L412 HydrophobicContact CE2-CD2 4.2Å; F248-L412 HydrophobicContact CZ-CD1 3.85Å; F248-L412 HydrophobicContact CZ-CD2 3.71Å; F248-L412 HydrophobicContact CZ-CG 4.47Å; I251-L412 HydrophobicContact CD1-CD2 3.34Å; I251-L412 HydrophobicContact CD1-CG 3.78Å; F408-L412 HydrophobicContact CD1-CD1 4.16Å; F408-L412 HydrophobicContact CE1-CD1 3.73Å; F408-L412 HydrophobicContact CZ-CD1 4.23Å; F409-L412 HydrophobicContact CD1-CD1 3.92Å; F409-L412 HydrophobicContact CE1-CD1 4.23Å; F409-L412 CarbonylContact O-C 3.53Å; F409-L412 WeakPolarHBondContact O-CA 3.34Å; F409-L412 WeakPolarHBondContact O-CB 3.36Å; F409-L412 PolarHBondContact O-N 3.08Å; Q410-L412 PolarHBondContact O-N 2.67Å; L412-L414 VanDerWaalsContact C-N 3.27Å; L412-L414 HydrophobicContact CB-CD1 4.46Å; L412-L414 HydrophobicContact CB-CG 4.36Å; L412-L414 PolarHBondContact O-N 2.87Å; L412-F509 HydrophobicContact CD2-CD2 3.64Å; L412-F509 HydrophobicContact CD2-CE2 3.89Å; L412-F509 HydrophobicContact CD2-CG 4.4Å; L412-F509 VanDerWaalsContact O-CD1 3.24Å; L412-F509 WeakPolarHBondContact O-CD1 3.39Å
413	G	85.7	Confident	93.6	Very high	48 Å²	48	66.5 Å²	66.5	50%	0.495	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	74.9	13	-174.8	0	0	0	0	0	114.3	F409 Q410 K411	F409-G413 PolarHBondContact O-N 3.1Å; Q410-G413 PolarHBondContact O-N 3.2Å; K411-G413 VanDerWaalsContact C-N 3.34Å
414	L	85.2	Confident	93.5	Very high	51 Å²	51	65.7 Å²	65.7	27%	0.267	33%	0.325	S	S	.	.			trans	-103.9	101.6	-178.1	-62.7	-179.5	0	0	0	110.4	F409 L412	F409-L414 CarbonylContact C-O 3.56Å; F409-L414 VanDerWaalsContact C-O 3.25Å; F409-L414 HydrophobicContact CB-CB 4.18Å; F409-L414 HydrophobicContact CD1-CB 4.25Å; F409-L414 HydrophobicContact CD1-CD1 3.84Å; F409-L414 HydrophobicContact CE1-CD1 4.31Å; F409-L414 PolarHBondContact O-N 2.88Å; L412-L414 VanDerWaalsContact C-N 3.27Å; L412-L414 HydrophobicContact CB-CD1 4.46Å; L412-L414 HydrophobicContact CB-CG 4.36Å; L412-L414 PolarHBondContact O-N 2.87Å
415	T	86.7	Confident	93.4	Very high	98 Å²	98	64.7 Å²	64.7	60%	0.601	32%	0.321	S	S	*	.			trans	-100.9	-27.1	-171.4	53.2	0	0	0	0	114.2	L417	T415-L417 PolarHBondContact O-N 2.61Å
416	E	91.7	Very high	93.4	Very high	98 Å²	98	66.8 Å²	66.8	46%	0.458	33%	0.329	S	S	.	.			trans	-92.7	85.4	-177	-66.3	-169.2	94.1	0	0	111.3	C435 Y436 W443	E416-C435 VanDerWaalsContact O-CA 3.31Å; E416-C435 WeakPolarHBondContact O-CA 3.42Å; E416-Y436 PolarHBondContact O-N 2.92Å; E416-Y436 VanDerWaalsContact O-N 3.15Å; E416-Y436 VanDerWaalsContact OE2-CD1 3.3Å; E416-Y436 WeakPolarHBondContact OE2-CD1 3.4Å; E416-W443 HydrophobicContact CB-CH2 4.17Å; E416-W443 WeakPolarHBondContact O-CZ3 3.4Å
417	L	94.8	Very high	93.4	Very high	11 Å²	11	62.4 Å²	62.4	6%	0.058	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	145.6	178.5	-56.8	-179.2	0	0	0	113.2	Y406 F409 T415 F419 I433 F434 C435	Y406-L417 HydrophobicContact CD1-CB 4.39Å; Y406-L417 HydrophobicContact CD1-CD1 3.68Å; Y406-L417 HydrophobicContact CD1-CG 4.22Å; Y406-L417 HydrophobicContact CE1-CB 3.8Å; Y406-L417 HydrophobicContact CE1-CD1 3.95Å; Y406-L417 HydrophobicContact CE1-CG 4.08Å; Y406-L417 HydrophobicContact CG-CD1 4.1Å; F409-L417 HydrophobicContact CB-CD1 3.84Å; F409-L417 HydrophobicContact CB-CD2 3.9Å; F409-L417 HydrophobicContact CB-CG 4.33Å; F409-L417 HydrophobicContact CD1-CD2 4.44Å; F409-L417 HydrophobicContact CD2-CD1 3.99Å; F409-L417 HydrophobicContact CD2-CD2 4.15Å; F409-L417 HydrophobicContact CG-CD1 4.2Å; F409-L417 HydrophobicContact CG-CD2 3.91Å; T415-L417 PolarHBondContact O-N 2.61Å; L417-F419 HydrophobicContact CB-CE2 4.45Å; L417-F419 HydrophobicContact CB-CZ 4.14Å; L417-F419 HydrophobicContact CD1-CZ 4.22Å; L417-I433 HydrophobicContact CD2-CG2 4.41Å; L417-F434 CarbonylContact C-O 3.48Å; L417-F434 WeakPolarHBondContact CA-O 3.45Å; L417-C435 HydrophobicContact CD2-CB 4.23Å
418	R	96	Very high	93.4	Very high	151 Å²	151	62.9 Å²	62.9	57%	0.57	32%	0.315	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-134.9	149.3	166.1	-77	-180	-177.2	-178.3	2.1	110	F434 W443	R418-F434 HydrophobicContact CB-CB 4.37Å; R418-F434 PolarHBondContact N-O 2.72Å; R418-F434 PolarHBondContact O-N 2.81Å; R418-W443 HydrophobicContact CB-CE3 4.09Å; R418-W443 HydrophobicContact CB-CH2 4.32Å; R418-W443 HydrophobicContact CB-CZ3 3.76Å; R418-W443 HydrophobicContact CG-CE3 4.1Å; R418-W443 HydrophobicContact CG-CH2 3.53Å; R418-W443 HydrophobicContact CG-CZ2 4.13Å; R418-W443 HydrophobicContact CG-CZ3 3.49Å; R418-W443 VanDerWaalsContact CG-CZ3 3.49Å
419	F	96.9	Very high	93.5	Very high	57 Å²	57	65.7 Å²	65.7	25%	0.25	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	134.9	-179.7	-51.8	-78.9	0	0	0	109.6	I402 L405 Y406 L417 M431 E432 I433	I402-F419 HydrophobicContact CB-CE2 4.5Å; I402-F419 HydrophobicContact CG1-CD2 4.34Å; I402-F419 HydrophobicContact CG1-CE2 4.28Å; I402-F419 HydrophobicContact CG1-CZ 4.43Å; I402-F419 HydrophobicContact CG2-CD2 4.4Å; I402-F419 HydrophobicContact CG2-CE2 3.68Å; I402-F419 HydrophobicContact CG2-CZ 3.95Å; L405-F419 HydrophobicContact CB-CE1 4.16Å; L405-F419 HydrophobicContact CB-CZ 4.39Å; L405-F419 HydrophobicContact CD1-CD1 4.32Å; L405-F419 HydrophobicContact CD1-CE1 3.7Å; Y406-F419 HydrophobicContact CD2-CE2 4.47Å; Y406-F419 HydrophobicContact CD2-CZ 4.36Å; Y406-F419 AromaticContact CE2-CE2 3.71Å; Y406-F419 HydrophobicContact CE2-CE2 3.71Å; Y406-F419 HydrophobicContact CE2-CZ 4.01Å; L417-F419 HydrophobicContact CB-CE2 4.45Å; L417-F419 HydrophobicContact CB-CZ 4.14Å; L417-F419 HydrophobicContact CD1-CZ 4.22Å; F419-M431 HydrophobicContact CB-CB 4.45Å; F419-M431 HydrophobicContact CB-SD 3.79Å; F419-M431 HydrophobicContact CD1-CG 4.31Å; F419-M431 HydrophobicContact CD1-SD 3.41Å; F419-M431 WeakPolarHBondContact CD1-SD 3.49Å; F419-M431 HydrophobicContact CE1-SD 4.21Å; F419-M431 HydrophobicContact CG-SD 3.72Å; F419-E432 WeakPolarHBondContact CA-O 3.37Å; F419-I433 HydrophobicContact CD1-CG1 4.35Å; F419-I433 HydrophobicContact CD1-CG2 4.36Å; F419-I433 HydrophobicContact CE1-CG1 4.43Å; F419-I433 HydrophobicContact CE1-CG2 4.04Å
420	K	97.4	Very high	93.8	Very high	105 Å²	105	66.1 Å²	66.1	46%	0.457	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	128.8	177.6	174.7	-177.7	155.1	-133.2	0	108.5	A422 M431 E432 F434	K420-A422 PolarHBondContact O-N 3.32Å; K420-M431 CarbonylContact O-C 3.53Å; K420-M431 VanDerWaalsContact O-CA 3.23Å; K420-M431 WeakPolarHBondContact O-CA 3.36Å; K420-E432 HydrophobicContact CB-CB 4.38Å; K420-E432 WeakPolarHBondContact CD-OE2 3.4Å; K420-E432 PolarHBondContact N-O 3.39Å; K420-E432 IonicContact NZ-OE1 3.67Å; K420-E432 IonicContact NZ-OE2 3Å; K420-E432 PolarHBondContact NZ-OE2 2.79Å; K420-E432 PolarHBondContact O-N 2.98Å; K420-F434 HydrophobicContact CB-CD2 4.18Å; K420-F434 HydrophobicContact CB-CE2 3.83Å; K420-F434 HydrophobicContact CD-CE2 4Å; K420-F434 HydrophobicContact CD-CZ 4.35Å
421	P	97.8	Very high	94.1	Very high	113 Å²	113	61.1 Å²	61.1	73%	0.734	31%	0.313	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-54.2	136	173.7	-25.8	34.8	0	0	0	111.6
422	A	96	Very high	94.3	Very high	31 Å²	31	59 Å²	59	26%	0.256	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	-176.2	-178.2	0	0	0	0	0	110.3	K420 S430 E432	K420-A422 PolarHBondContact O-N 3.32Å; A422-S430 PolarHBondContact N-O 3.29Å; A422-S430 WeakPolarHBondContact O-CB 3.37Å; A422-E432 HydrophobicContact CB-CG 3.86Å
423	Y	95.1	Very high	94.8	Very high	156 Å²	156	58.9 Å²	58.9	61%	0.612	30%	0.304	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-131.3	125.2	174.2	171.5	-96	0	0	0	109	P425	Y423-P425 HydrophobicContact CE1-CG 4.1Å
424	N	95.2	Very high	95.2	Very high	18 Å²	18	58.7 Å²	58.7	10%	0.096	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	140.3	161.3	-44.8	-59.8	0	0	0	108.2	Y426 T427 S430 N448	N424-Y426 HydrophobicContact CB-CD2 4.45Å; N424-Y426 HydrophobicContact CB-CE1 4.38Å; N424-Y426 HydrophobicContact CB-CE2 4.1Å; N424-Y426 PolarHBondContact O-N 3.28Å; N424-Y426 VanDerWaalsContact O-N 3.12Å; N424-T427 WeakPolarHBondContact CB-OG1 3.47Å; N424-T427 PolarHBondContact ND2-OG1 3.3Å; N424-T427 PolarHBondContact O-N 2.99Å; N424-T427 VanDerWaalsContact O-N 3.11Å; N424-T427 VanDerWaalsContact O-O 3.1Å; N424-S430 PolarHBondContact N-OG 2.75Å; N424-S430 PolarHBondContact ND2-OG 2.67Å; N424-N448 PolarHBondContact ND2-OD1 3.09Å; N424-N448 PolarHBondContact OD1-ND2 3.01Å; N424-N448 VanDerWaalsContact OD1-ND2 3.16Å; N424-N448 PolarHBondContact OD1-OD1 3.1Å
425	P	94.8	Very high	95.5	Very high	12 Å²	12	56.5 Å²	56.5	8%	0.078	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.7	-31.7	-177.2	-26.5	34.3	0	0	0	114.5	Q278 Y423 R453	Q278-P425 HydrophobicContact CB-CB 4.21Å; Q278-P425 HydrophobicContact CG-CB 4.17Å; Q278-P425 HydrophobicContact CG-CG 4.22Å; Y423-P425 HydrophobicContact CE1-CG 4.1Å; P425-R453 WeakPolarHBondContact O-CD 3.23Å
426	Y	96.8	Very high	95.7	Very high	43 Å²	43	55.1 Å²	55.1	17%	0.169	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.6	-5.2	-177.2	39.7	-88.1	0	0	0	114.3	L276 T343 N424 F452 R453	L276-Y426 HydrophobicContact CB-CD1 4.39Å; L276-Y426 HydrophobicContact CB-CG 4.49Å; L276-Y426 WeakPolarHBondContact O-CB 3.4Å; T343-Y426 HydrophobicContact CG2-CD2 4.26Å; T343-Y426 HydrophobicContact CG2-CE2 4.13Å; N424-Y426 HydrophobicContact CB-CD2 4.45Å; N424-Y426 HydrophobicContact CB-CE1 4.38Å; N424-Y426 HydrophobicContact CB-CE2 4.1Å; N424-Y426 PolarHBondContact O-N 3.28Å; N424-Y426 VanDerWaalsContact O-N 3.12Å; Y426-F452 HydrophobicContact CD2-CD1 4.33Å; Y426-F452 AromaticContact CD2-CE1 3.84Å; Y426-F452 HydrophobicContact CD2-CE1 3.84Å; Y426-F452 HydrophobicContact CG-CE1 4.39Å; Y426-F452 WeakPolarHBondContact O-CA 3.38Å; Y426-F452 WeakPolarHBondContact O-CD1 3.47Å; Y426-R453 PolarHBondContact O-N 2.91Å
427	T	97.4	Very high	95.2	Very high	6 Å²	6	52 Å²	52	4%	0.037	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	136.6	-177.8	52.9	0	0	0	0	114.9	N424 S430 M451 F452	N424-T427 WeakPolarHBondContact CB-OG1 3.47Å; N424-T427 PolarHBondContact ND2-OG1 3.3Å; N424-T427 PolarHBondContact O-N 2.99Å; N424-T427 VanDerWaalsContact O-N 3.11Å; N424-T427 VanDerWaalsContact O-O 3.1Å; T427-S430 WeakPolarHBondContact CB-OG 3.48Å; T427-S430 PolarHBondContact O-OG 3.32Å; T427-S430 PolarHBondContact OG1-OG 2.77Å; T427-M451 CarbonylContact C-O 3.52Å; T427-M451 WeakPolarHBondContact CA-O 3.19Å; T427-M451 WeakPolarHBondContact CB-O 3.48Å; T427-F452 HydrophobicContact CG2-CD1 4.39Å
428	E	96.3	Very high	94.5	Very high	118 Å²	118	55.8 Å²	55.8	55%	0.551	27%	0.274	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-148.2	118.1	170.4	-172.6	170.7	-176.3	0	0	110.1	M451 R453	E428-M451 PolarHBondContact N-O 2.95Å; E428-R453 HydrophobicContact CB-CG 4Å; E428-R453 IonicContact OE2-CZ 3.65Å; E428-R453 VanDerWaalsContact OE2-CZ 3.25Å; E428-R453 IonicContact OE2-NH1 3.71Å; E428-R453 PolarHBondContact OE2-NH1 2.87Å; E428-R453 IonicContact OE2-NH2 3.5Å
429	P	97.5	Very high	93.7	Very high	58 Å²	58	53.8 Å²	53.8	38%	0.377	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	cis	-70.1	163	-6	32	-38.8	0	0	0	113.4	L398 G450 M451	L398-P429 HydrophobicContact CD1-CB 4.4Å; L398-P429 HydrophobicContact CD1-CG 3.54Å; L398-P429 HydrophobicContact CD2-CG 4.26Å; L398-P429 HydrophobicContact CG-CG 4.37Å; P429-G450 CarbonylContact O-C 3.52Å; P429-G450 WeakPolarHBondContact O-CA 3.26Å; P429-M451 HydrophobicContact CG-CG 4.23Å; P429-M451 HydrophobicContact CG-SD 4.04Å; P429-M451 PolarHBondContact O-N 3.07Å
430	S	97.8	Very high	92.9	Very high	12 Å²	12	55.3 Å²	55.3	8%	0.084	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	146.9	173.6	-55.6	0	0	0	0	111.2	A422 N424 T427 S449	A422-S430 PolarHBondContact N-O 3.29Å; A422-S430 WeakPolarHBondContact O-CB 3.37Å; N424-S430 PolarHBondContact N-OG 2.75Å; N424-S430 PolarHBondContact ND2-OG 2.67Å; T427-S430 WeakPolarHBondContact CB-OG 3.48Å; T427-S430 PolarHBondContact O-OG 3.32Å; T427-S430 PolarHBondContact OG1-OG 2.77Å; S430-S449 CarbonylContact C-O 3.55Å; S430-S449 WeakPolarHBondContact CA-O 3.44Å
431	M	97.7	Very high	92.4	Very high	11 Å²	11	58.4 Å²	58.4	5%	0.054	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	136.7	175.2	70.9	-177.9	72.8	0	0	113.1	L398 L401 I402 L405 F419 K420 S449	L398-M431 HydrophobicContact CD1-CE 3.03Å; L398-M431 HydrophobicContact CD2-CE 3.96Å; L398-M431 HydrophobicContact CG-CE 3.54Å; L401-M431 HydrophobicContact CD2-CE 4.12Å; I402-M431 HydrophobicContact CD1-CE 4.21Å; I402-M431 HydrophobicContact CG1-CE 3.98Å; I402-M431 HydrophobicContact CG1-SD 3.99Å; L405-M431 HydrophobicContact CD1-SD 4.39Å; F419-M431 HydrophobicContact CB-CB 4.45Å; F419-M431 HydrophobicContact CB-SD 3.79Å; F419-M431 HydrophobicContact CD1-CG 4.31Å; F419-M431 HydrophobicContact CD1-SD 3.41Å; F419-M431 WeakPolarHBondContact CD1-SD 3.49Å; F419-M431 HydrophobicContact CE1-SD 4.21Å; F419-M431 HydrophobicContact CG-SD 3.72Å; K420-M431 CarbonylContact O-C 3.53Å; K420-M431 VanDerWaalsContact O-CA 3.23Å; K420-M431 WeakPolarHBondContact O-CA 3.36Å; M431-S449 WeakPolarHBondContact CG-OG 3.24Å; M431-S449 PolarHBondContact N-O 3.47Å; M431-S449 PolarHBondContact O-N 3.37Å; M431-S449 PolarHBondContact O-OG 3.05Å
432	E	97.3	Very high	92.1	Very high	39 Å²	39	58.6 Å²	58.6	18%	0.182	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	146.1	163	-76	164.7	-176.3	0	0	110.1	F419 K420 A422 F434	F419-E432 WeakPolarHBondContact CA-O 3.37Å; K420-E432 HydrophobicContact CB-CB 4.38Å; K420-E432 WeakPolarHBondContact CD-OE2 3.4Å; K420-E432 PolarHBondContact N-O 3.39Å; K420-E432 IonicContact NZ-OE1 3.67Å; K420-E432 IonicContact NZ-OE2 3Å; K420-E432 PolarHBondContact NZ-OE2 2.79Å; K420-E432 PolarHBondContact O-N 2.98Å; A422-E432 HydrophobicContact CB-CG 3.86Å; E432-F434 HydrophobicContact CB-CD2 4.27Å; E432-F434 HydrophobicContact CB-CE2 3.62Å; E432-F434 HydrophobicContact CB-CZ 4.48Å; E432-F434 WeakPolarHBondContact OE2-CE2 3.47Å
433	I	96.4	Very high	91.9	Very high	0 Å²	0	60.9 Å²	60.9	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	123	-177.5	-46.7	168.7	0	0	0	108.1	L405 F409 L417 F419 E445 V446 G447 W471	L405-I433 HydrophobicContact CD1-CD1 3.66Å; L405-I433 HydrophobicContact CD1-CG1 4.07Å; L405-I433 HydrophobicContact CD2-CD1 3.59Å; L405-I433 HydrophobicContact CG-CD1 4.21Å; F409-I433 HydrophobicContact CD2-CG2 4.31Å; F409-I433 HydrophobicContact CE2-CD1 3.9Å; F409-I433 HydrophobicContact CE2-CG2 3.77Å; F409-I433 HydrophobicContact CZ-CD1 4.43Å; F409-I433 HydrophobicContact CZ-CG2 4.21Å; L417-I433 HydrophobicContact CD2-CG2 4.41Å; F419-I433 HydrophobicContact CD1-CG1 4.35Å; F419-I433 HydrophobicContact CD1-CG2 4.36Å; F419-I433 HydrophobicContact CE1-CG1 4.43Å; F419-I433 HydrophobicContact CE1-CG2 4.04Å; I433-E445 WeakPolarHBondContact O-CA 3.49Å; I433-V446 HydrophobicContact CB-CG2 4.04Å; I433-V446 HydrophobicContact CG2-CG2 3.7Å; I433-V446 WeakPolarHBondContact O-CG2 3.42Å; I433-V446 PolarHBondContact O-N 3.42Å; I433-G447 PolarHBondContact N-O 3.34Å; I433-G447 PolarHBondContact O-N 2.87Å; I433-W471 HydrophobicContact CD1-CB 4.48Å
434	F	95.2	Very high	91.7	Very high	44 Å²	44	55.1 Å²	55.1	19%	0.193	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	138.2	177.8	-71.9	-97.5	0	0	0	110.3	L417 R418 K420 E432 W443 V444 E445	L417-F434 CarbonylContact C-O 3.48Å; L417-F434 WeakPolarHBondContact CA-O 3.45Å; R418-F434 HydrophobicContact CB-CB 4.37Å; R418-F434 PolarHBondContact N-O 2.72Å; R418-F434 PolarHBondContact O-N 2.81Å; K420-F434 HydrophobicContact CB-CD2 4.18Å; K420-F434 HydrophobicContact CB-CE2 3.83Å; K420-F434 HydrophobicContact CD-CE2 4Å; K420-F434 HydrophobicContact CD-CZ 4.35Å; E432-F434 HydrophobicContact CB-CD2 4.27Å; E432-F434 HydrophobicContact CB-CE2 3.62Å; E432-F434 HydrophobicContact CB-CZ 4.48Å; E432-F434 WeakPolarHBondContact OE2-CE2 3.47Å; F434-W443 HydrophobicContact CB-CE3 4.01Å; F434-W443 HydrophobicContact CD1-CB 4.4Å; F434-V444 CarbonylContact C-O 3.58Å; F434-V444 WeakPolarHBondContact CA-O 3.37Å; F434-E445 HydrophobicContact CD1-CB 4.25Å; F434-E445 HydrophobicContact CE1-CB 3.86Å; F434-E445 HydrophobicContact CZ-CB 4.16Å; F434-E445 HydrophobicContact CZ-CG 4.44Å
435	C	91.6	Very high	91.5	Very high	5 Å²	5	57.5 Å²	57.5	3%	0.034	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	142.7	170.5	-171.9	0	0	0	0	110.5	E416 L417 W443 V444 V446	E416-C435 VanDerWaalsContact O-CA 3.31Å; E416-C435 WeakPolarHBondContact O-CA 3.42Å; L417-C435 HydrophobicContact CD2-CB 4.23Å; C435-W443 WeakPolarHBondContact O-CA 3.44Å; C435-V444 PolarHBondContact N-O 2.85Å; C435-V444 PolarHBondContact O-N 3.13Å; C435-V446 HydrophobicContact CB-CG1 3.63Å; C435-V446 HydrophobicContact CB-CG2 4.1Å
436	Y	89.5	Confident	91.4	Very high	69 Å²	69	58 Å²	58	27%	0.271	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	127.7	169.4	-171.3	-105.4	0	0	0	110	E416 P438 K441 W443	E416-Y436 PolarHBondContact O-N 2.92Å; E416-Y436 VanDerWaalsContact O-N 3.15Å; E416-Y436 VanDerWaalsContact OE2-CD1 3.3Å; E416-Y436 WeakPolarHBondContact OE2-CD1 3.4Å; Y436-P438 WeakPolarHBondContact O-CD 3.47Å; Y436-K441 WeakPolarHBondContact OH-CA 3.44Å; Y436-W443 HydrophobicContact CD2-CD2 4.3Å; Y436-W443 AromaticContact CD2-CE2 3.94Å; Y436-W443 HydrophobicContact CD2-CG 4.34Å; Y436-W443 HydrophobicContact CD2-CZ2 4.39Å; Y436-W443 AromaticContact CD2-NE1 3.76Å
437	H	81.7	Confident	91.3	Very high	32 Å²	32	56 Å²	56	15%	0.148	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	110.5	178.9	-172.4	-83.3	0	0	0	110.8	S439 L440 K441 K442 V444 I481	H437-S439 PolarHBondContact ND1-N 2.55Å; H437-S439 PolarHBondContact O-N 2.87Å; H437-L440 HydrophobicContact CB-CB 4.15Å; H437-L440 HydrophobicContact CB-CD1 4.39Å; H437-L440 WeakPolarHBondContact ND1-CB 3.27Å; H437-L440 VanDerWaalsContact ND1-CG 3.29Å; H437-L440 WeakPolarHBondContact ND1-CG 3.49Å; H437-L440 PolarHBondContact ND1-N 2.82Å; H437-L440 PolarHBondContact O-N 3.49Å; H437-L440 VanDerWaalsContact O-N 3.13Å; H437-K441 PolarHBondContact O-N 3.08Å; H437-K442 PolarHBondContact N-O 3.21Å; H437-V444 HydrophobicContact CB-CG2 3.94Å; H437-I481 WeakPolarHBondContact NE2-CG2 3.39Å
438	P	80.7	Confident	91.3	Very high	92 Å²	92	57.9 Å²	57.9	60%	0.597	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.5	-43.7	-173.2	-27.4	34.9	0	0	0	113.8	Y436 L440	Y436-P438 WeakPolarHBondContact O-CD 3.47Å; P438-L440 VanDerWaalsContact C-N 3.33Å; P438-L440 PolarHBondContact O-N 3.26Å
439	S	77.7	Confident	91.3	Very high	108 Å²	108	52.4 Å²	52.4	76%	0.755	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.9	-21.9	-177	-28.9	0	0	0	0	113.5	H437	H437-S439 PolarHBondContact ND1-N 2.55Å; H437-S439 PolarHBondContact O-N 2.87Å
440	L	80.7	Confident	91.4	Very high	90 Å²	90	49.7 Å²	49.7	47%	0.471	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.3	-10	-179.5	-66.5	171.8	0	0	0	111.9	H437 P438 K442 V444	H437-L440 HydrophobicContact CB-CB 4.15Å; H437-L440 HydrophobicContact CB-CD1 4.39Å; H437-L440 WeakPolarHBondContact ND1-CB 3.27Å; H437-L440 VanDerWaalsContact ND1-CG 3.29Å; H437-L440 WeakPolarHBondContact ND1-CG 3.49Å; H437-L440 PolarHBondContact ND1-N 2.82Å; H437-L440 PolarHBondContact O-N 3.49Å; H437-L440 VanDerWaalsContact O-N 3.13Å; P438-L440 VanDerWaalsContact C-N 3.33Å; P438-L440 PolarHBondContact O-N 3.26Å; L440-K442 HydrophobicContact CB-CD 4.37Å; L440-K442 HydrophobicContact CB-CG 3.89Å; L440-K442 PolarHBondContact O-N 3.3Å; L440-K442 VanDerWaalsContact O-N 3.15Å; L440-V444 HydrophobicContact CD1-CG2 4.37Å
441	K	87.9	Confident	91.4	Very high	169 Å²	169	50.2 Å²	50.2	74%	0.735	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.2	36.5	-177.7	-58.8	-176.8	179.2	-179.1	0	113.6	Y436 H437	Y436-K441 WeakPolarHBondContact OH-CA 3.44Å; H437-K441 PolarHBondContact O-N 3.08Å
442	K	91.2	Very high	91.4	Very high	117 Å²	117	50 Å²	50	51%	0.509	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	156.1	-179.5	69	-178.5	-178.9	172.7	0	111	H437 L440 V444	H437-K442 PolarHBondContact N-O 3.21Å; L440-K442 HydrophobicContact CB-CD 4.37Å; L440-K442 HydrophobicContact CB-CG 3.89Å; L440-K442 PolarHBondContact O-N 3.3Å; L440-K442 VanDerWaalsContact O-N 3.15Å; K442-V444 HydrophobicContact CG-CG2 3.96Å
443	W	92.3	Very high	91.5	Very high	80 Å²	80	50.4 Å²	50.4	30%	0.303	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	130.4	167.9	-68.1	87.6	0	0	0	109.2	E416 R418 F434 C435 Y436	E416-W443 HydrophobicContact CB-CH2 4.17Å; E416-W443 WeakPolarHBondContact O-CZ3 3.4Å; R418-W443 HydrophobicContact CB-CE3 4.09Å; R418-W443 HydrophobicContact CB-CH2 4.32Å; R418-W443 HydrophobicContact CB-CZ3 3.76Å; R418-W443 HydrophobicContact CG-CE3 4.1Å; R418-W443 HydrophobicContact CG-CH2 3.53Å; R418-W443 HydrophobicContact CG-CZ2 4.13Å; R418-W443 HydrophobicContact CG-CZ3 3.49Å; R418-W443 VanDerWaalsContact CG-CZ3 3.49Å; F434-W443 HydrophobicContact CB-CE3 4.01Å; F434-W443 HydrophobicContact CD1-CB 4.4Å; C435-W443 WeakPolarHBondContact O-CA 3.44Å; Y436-W443 HydrophobicContact CD2-CD2 4.3Å; Y436-W443 AromaticContact CD2-CE2 3.94Å; Y436-W443 HydrophobicContact CD2-CG 4.34Å; Y436-W443 HydrophobicContact CD2-CZ2 4.39Å; Y436-W443 AromaticContact CD2-NE1 3.76Å
444	V	89.8	Confident	91.5	Very high	34 Å²	34	53.5 Å²	53.5	21%	0.206	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	135.5	-179.2	-173.2	0	0	0	0	108.2	F434 C435 H437 L440 K442 V446	F434-V444 CarbonylContact C-O 3.58Å; F434-V444 WeakPolarHBondContact CA-O 3.37Å; C435-V444 PolarHBondContact N-O 2.85Å; C435-V444 PolarHBondContact O-N 3.13Å; H437-V444 HydrophobicContact CB-CG2 3.94Å; L440-V444 HydrophobicContact CD1-CG2 4.37Å; K442-V444 HydrophobicContact CG-CG2 3.96Å; V444-V446 PolarHBondContact O-N 3.07Å
445	E	92	Very high	91.7	Very high	69 Å²	69	52 Å²	52	32%	0.322	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	121	172.4	-173.8	-154.4	122.6	0	0	109.4	I433 F434 R477	I433-E445 WeakPolarHBondContact O-CA 3.49Å; F434-E445 HydrophobicContact CD1-CB 4.25Å; F434-E445 HydrophobicContact CE1-CB 3.86Å; F434-E445 HydrophobicContact CZ-CB 4.16Å; F434-E445 HydrophobicContact CZ-CG 4.44Å; E445-R477 IonicContact OE1-CZ 2.99Å; E445-R477 IonicContact OE1-NH1 2.76Å; E445-R477 PolarHBondContact OE1-NH1 3Å; E445-R477 IonicContact OE1-NH2 4Å
446	V	91.7	Very high	92	Very high	22 Å²	22	51.8 Å²	51.8	13%	0.133	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	-11.2	-178.3	-66.4	0	0	0	0	113.1	F409 I433 C435 V444 L473	F409-V446 HydrophobicContact CD1-CG2 4.37Å; F409-V446 HydrophobicContact CE1-CB 3.87Å; F409-V446 HydrophobicContact CE1-CG2 3.57Å; F409-V446 HydrophobicContact CE2-CG2 4.34Å; F409-V446 HydrophobicContact CZ-CB 4.12Å; F409-V446 HydrophobicContact CZ-CG2 3.56Å; I433-V446 HydrophobicContact CB-CG2 4.04Å; I433-V446 HydrophobicContact CG2-CG2 3.7Å; I433-V446 WeakPolarHBondContact O-CG2 3.42Å; I433-V446 PolarHBondContact O-N 3.42Å; C435-V446 HydrophobicContact CB-CG1 3.63Å; C435-V446 HydrophobicContact CB-CG2 4.1Å; V444-V446 PolarHBondContact O-N 3.07Å; V446-L473 WeakPolarHBondContact O-CB 3.12Å
447	G	94.4	Very high	92.4	Very high	1 Å²	1	48.7 Å²	48.7	1%	0.01	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	178.1	177.2	178	0	0	0	0	0	113.4	I433 G472	I433-G447 PolarHBondContact N-O 3.34Å; I433-G447 PolarHBondContact O-N 2.87Å; G447-G472 WeakPolarHBondContact CA-O 3.37Å
448	N	96.9	Very high	93.1	Very high	45 Å²	45	48.5 Å²	48.5	24%	0.241	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	150.3	175	-172.7	-42.5	0	0	0	108.5	N424 W471 G472	N424-N448 PolarHBondContact ND2-OD1 3.09Å; N424-N448 PolarHBondContact OD1-ND2 3.01Å; N424-N448 VanDerWaalsContact OD1-ND2 3.16Å; N424-N448 PolarHBondContact OD1-OD1 3.1Å; N448-W471 CarbonylContact O-C 3.33Å; N448-W471 WeakPolarHBondContact O-CA 3.37Å; N448-G472 PolarHBondContact N-O 3.04Å; N448-G472 PolarHBondContact O-N 3.24Å
449	S	98.2	Very high	93.9	Very high	4 Å²	4	44.2 Å²	44.2	3%	0.028	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.8	168.4	-175.8	61	0	0	0	0	112.2	S430 M431 A470	S430-S449 CarbonylContact C-O 3.55Å; S430-S449 WeakPolarHBondContact CA-O 3.44Å; M431-S449 WeakPolarHBondContact CG-OG 3.24Å; M431-S449 PolarHBondContact N-O 3.47Å; M431-S449 PolarHBondContact O-N 3.37Å; M431-S449 PolarHBondContact O-OG 3.05Å; S449-A470 CarbonylContact C-O 3.56Å; S449-A470 VanDerWaalsContact CA-O 3.23Å; S449-A470 WeakPolarHBondContact CA-O 3.09Å; S449-A470 WeakPolarHBondContact CB-O 3.42Å
450	G	98	Very high	94.9	Very high	1 Å²	1	39.3 Å²	39.3	1%	0.01	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	179.3	-178.8	173.7	0	0	0	0	0	112.8	P429 A470	P429-G450 CarbonylContact O-C 3.52Å; P429-G450 WeakPolarHBondContact O-CA 3.26Å; G450-A470 PolarHBondContact N-O 2.64Å; G450-A470 PolarHBondContact O-N 3.23Å
451	M	98.4	Very high	95.6	Very high	22 Å²	22	36.5 Å²	36.5	11%	0.108	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	125.2	173.1	-53.6	-174	53.3	0	0	108.7	L396 L398 T427 E428 P429 R453 N467 V468 I469	L396-M451 VanDerWaalsContact O-CE 3.25Å; L396-M451 WeakPolarHBondContact O-CE 3.42Å; L398-M451 HydrophobicContact CB-SD 4.37Å; L398-M451 HydrophobicContact CD1-CG 4.46Å; L398-M451 HydrophobicContact CD1-SD 4.31Å; T427-M451 CarbonylContact C-O 3.52Å; T427-M451 WeakPolarHBondContact CA-O 3.19Å; T427-M451 WeakPolarHBondContact CB-O 3.48Å; E428-M451 PolarHBondContact N-O 2.95Å; P429-M451 HydrophobicContact CG-CG 4.23Å; P429-M451 HydrophobicContact CG-SD 4.04Å; P429-M451 PolarHBondContact O-N 3.07Å; M451-R453 PolarHBondContact O-N 3.08Å; M451-N467 HydrophobicContact CE-CB 4.37Å; M451-V468 CarbonylContact C-O 3.59Å; M451-V468 WeakPolarHBondContact CA-O 3.31Å; M451-I469 HydrophobicContact CE-CG2 4.26Å; M451-I469 HydrophobicContact CG-CG2 3.97Å
452	F	98.3	Very high	96	Very high	7 Å²	7	28.9 Å²	28.9	3%	0.031	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.8	136.3	-179.5	-81.2	-74	0	0	0	111.1	L276 T343 L350 I390 Y426 T427 V456 L457 V468 A470	L276-F452 HydrophobicContact CD2-CE1 3.9Å; T343-F452 HydrophobicContact CG2-CE1 3.9Å; T343-F452 HydrophobicContact CG2-CZ 3.72Å; L350-F452 HydrophobicContact CD1-CD2 4.26Å; L350-F452 HydrophobicContact CD1-CE2 4.12Å; I390-F452 HydrophobicContact CG2-CE2 4.24Å; Y426-F452 HydrophobicContact CD2-CD1 4.33Å; Y426-F452 AromaticContact CD2-CE1 3.84Å; Y426-F452 HydrophobicContact CD2-CE1 3.84Å; Y426-F452 HydrophobicContact CG-CE1 4.39Å; Y426-F452 WeakPolarHBondContact O-CA 3.38Å; Y426-F452 WeakPolarHBondContact O-CD1 3.47Å; T427-F452 HydrophobicContact CG2-CD1 4.39Å; F452-V456 HydrophobicContact CD1-CG1 4.05Å; F452-L457 HydrophobicContact CB-CD1 4.01Å; F452-L457 HydrophobicContact CB-CD2 3.82Å; F452-L457 HydrophobicContact CB-CG 3.94Å; F452-L457 HydrophobicContact CG-CD2 4.38Å; F452-V468 HydrophobicContact CB-CB 4.26Å; F452-V468 HydrophobicContact CD2-CB 3.78Å; F452-V468 HydrophobicContact CD2-CG1 3.53Å; F452-V468 HydrophobicContact CE2-CG1 4Å; F452-V468 HydrophobicContact CG-CB 4.49Å; F452-V468 PolarHBondContact N-O 3.45Å; F452-A470 HydrophobicContact CD2-CB 4.12Å; F452-A470 HydrophobicContact CE2-CB 3.57Å; F452-A470 HydrophobicContact CZ-CB 4.2Å
453	R	98	Very high	96.2	Very high	48 Å²	48	25.2 Å²	25.2	18%	0.181	14%	0.137	C	C	.	.	P	Polyproline II helix	trans	-62.2	145.4	179.1	-76.2	-169.4	73.4	104.8	-0.1	111.9	P425 Y426 E428 M451 E455 V456 L457	P425-R453 WeakPolarHBondContact O-CD 3.23Å; Y426-R453 PolarHBondContact O-N 2.91Å; E428-R453 HydrophobicContact CB-CG 4Å; E428-R453 IonicContact OE2-CZ 3.65Å; E428-R453 VanDerWaalsContact OE2-CZ 3.25Å; E428-R453 IonicContact OE2-NH1 3.71Å; E428-R453 PolarHBondContact OE2-NH1 2.87Å; E428-R453 IonicContact OE2-NH2 3.5Å; M451-R453 PolarHBondContact O-N 3.08Å; R453-E455 WeakPolarHBondContact CB-OE2 3.48Å; R453-E455 IonicContact CZ-OE1 3.58Å; R453-E455 IonicContact CZ-OE2 3.89Å; R453-E455 IonicContact NE-OE1 3.71Å; R453-E455 IonicContact NE-OE2 2.8Å; R453-E455 PolarHBondContact NE-OE2 3.05Å; R453-E455 IonicContact NH2-OE1 2.73Å; R453-E455 PolarHBondContact NH2-OE1 3.01Å; R453-E455 IonicContact NH2-OE2 3.54Å; R453-E455 PolarHBondContact O-N 3.14Å; R453-V456 HydrophobicContact CB-CG2 4.18Å; R453-V456 WeakPolarHBondContact O-CB 3.36Å; R453-V456 PolarHBondContact O-N 2.84Å; R453-L457 PolarHBondContact O-N 2.8Å
454	P	97.8	Very high	96.4	Very high	65 Å²	65	29.5 Å²	29.5	42%	0.422	16%	0.161	S	C	.	.	H	α-helix	trans	-54.4	-33.7	172.3	-25.6	34.7	0	0	0	113.1	V456 L457 L458	P454-V456 PolarHBondContact O-N 2.93Å; P454-L457 PolarHBondContact O-N 2.69Å; P454-L458 HydrophobicContact CB-CD1 3.72Å; P454-L458 HydrophobicContact CB-CG 4.26Å; P454-L458 WeakPolarHBondContact O-CB 3.34Å; P454-L458 WeakPolarHBondContact O-CG 3.35Å; P454-L458 PolarHBondContact O-N 3.17Å
455	E	97.9	Very high	96.6	Very high	12 Å²	12	30.9 Å²	30.9	6%	0.056	17%	0.167	C	C	.	.	H	α-helix	trans	-68.2	-14.6	177.4	-56.4	95.3	143	0	0	113.8	F277 V313 S321 R453 P459	F277-E455 HydrophobicContact CB-CB 4.35Å; F277-E455 HydrophobicContact CD1-CB 3.7Å; F277-E455 HydrophobicContact CD1-CG 4.3Å; F277-E455 HydrophobicContact CD2-CB 3.57Å; F277-E455 HydrophobicContact CD2-CG 4.46Å; F277-E455 HydrophobicContact CE1-CB 3.74Å; F277-E455 HydrophobicContact CE1-CG 3.85Å; F277-E455 HydrophobicContact CE2-CB 3.64Å; F277-E455 HydrophobicContact CE2-CG 4.05Å; F277-E455 HydrophobicContact CG-CB 3.6Å; F277-E455 HydrophobicContact CZ-CB 3.71Å; F277-E455 HydrophobicContact CZ-CG 3.71Å; V313-E455 HydrophobicContact CG2-CB 3.82Å; V313-E455 HydrophobicContact CG2-CG 3.86Å; S321-E455 VanDerWaalsContact CB-CG 3.41Å; S321-E455 WeakPolarHBondContact CB-OE1 3.43Å; S321-E455 PolarHBondContact OG-OE1 3.11Å; R453-E455 WeakPolarHBondContact CB-OE2 3.48Å; R453-E455 IonicContact CZ-OE1 3.58Å; R453-E455 IonicContact CZ-OE2 3.89Å; R453-E455 IonicContact NE-OE1 3.71Å; R453-E455 IonicContact NE-OE2 2.8Å; R453-E455 PolarHBondContact NE-OE2 3.05Å; R453-E455 IonicContact NH2-OE1 2.73Å; R453-E455 PolarHBondContact NH2-OE1 3.01Å; R453-E455 IonicContact NH2-OE2 3.54Å; R453-E455 PolarHBondContact O-N 3.14Å; E455-P459 WeakPolarHBondContact O-CD 3.5Å; E455-P459 VanDerWaalsContact O-CG 3.24Å; E455-P459 WeakPolarHBondContact O-CG 3.3Å
456	V	97.9	Very high	96.9	Very high	1 Å²	1	27.8 Å²	27.8	1%	0.006	15%	0.153	C	C	.	.	H	α-helix	trans	-86.3	-48.2	168.7	177.4	0	0	0	0	109.9	L276 F277 F452 R453 P454 M460	L276-V456 HydrophobicContact CD2-CG1 4.35Å; L276-V456 WeakPolarHBondContact O-CG2 3.23Å; F277-V456 HydrophobicContact CB-CG2 3.59Å; F452-V456 HydrophobicContact CD1-CG1 4.05Å; R453-V456 HydrophobicContact CB-CG2 4.18Å; R453-V456 WeakPolarHBondContact O-CB 3.36Å; R453-V456 PolarHBondContact O-N 2.84Å; P454-V456 PolarHBondContact O-N 2.93Å; V456-M460 HydrophobicContact CG1-CE 3.8Å; V456-M460 WeakPolarHBondContact O-CG 3.44Å
457	L	97.9	Very high	97.2	Very high	4 Å²	4	29 Å²	29	2%	0.021	16%	0.159	C	C	.	.	H	α-helix	trans	-81.2	-43.3	-166.4	-58.3	178.6	0	0	0	113.7	L350 F452 R453 P454 M460 L462 V468	L350-L457 HydrophobicContact CD1-CD2 4.02Å; F452-L457 HydrophobicContact CB-CD1 4.01Å; F452-L457 HydrophobicContact CB-CD2 3.82Å; F452-L457 HydrophobicContact CB-CG 3.94Å; F452-L457 HydrophobicContact CG-CD2 4.38Å; R453-L457 PolarHBondContact O-N 2.8Å; P454-L457 PolarHBondContact O-N 2.69Å; L457-M460 WeakPolarHBondContact O-CB 3.46Å; L457-M460 PolarHBondContact O-N 2.95Å; L457-L462 HydrophobicContact CB-CD1 4.02Å; L457-L462 HydrophobicContact CD2-CD1 3.81Å; L457-L462 HydrophobicContact CG-CD1 4.42Å; L457-V468 HydrophobicContact CD1-CB 4.13Å; L457-V468 HydrophobicContact CD1-CG2 3.83Å; L457-V468 HydrophobicContact CD2-CB 4.05Å; L457-V468 HydrophobicContact CD2-CG2 3.58Å; L457-V468 HydrophobicContact CG-CG2 4.37Å
458	L	97.7	Very high	97.4	Very high	28 Å²	28	29 Å²	29	15%	0.147	16%	0.159	C	C	.	.	H	α-helix	trans	-70.7	-39	-172.6	-59.8	175.3	0	0	0	113	Y319 P454 M460 G461 E464	Y319-L458 HydrophobicContact CD1-CB 3.45Å; Y319-L458 VanDerWaalsContact CD1-CB 3.45Å; Y319-L458 HydrophobicContact CD1-CD1 4.01Å; Y319-L458 HydrophobicContact CD1-CG 4.34Å; Y319-L458 HydrophobicContact CD2-CB 4.29Å; Y319-L458 HydrophobicContact CE1-CB 3.81Å; Y319-L458 HydrophobicContact CG-CB 3.71Å; Y319-L458 HydrophobicContact CG-CD1 4.06Å; P454-L458 HydrophobicContact CB-CD1 3.72Å; P454-L458 HydrophobicContact CB-CG 4.26Å; P454-L458 WeakPolarHBondContact O-CB 3.34Å; P454-L458 WeakPolarHBondContact O-CG 3.35Å; P454-L458 PolarHBondContact O-N 3.17Å; L458-M460 PolarHBondContact O-N 3.34Å; L458-G461 PolarHBondContact O-N 3.31Å; L458-E464 HydrophobicContact CD2-CB 4.48Å; L458-E464 HydrophobicContact CD2-CG 4Å
459	P	97.6	Very high	97.4	Very high	1 Å²	1	26.9 Å²	26.9	1%	0.006	15%	0.147	C	C	.	.	H	α-helix	trans	-60	-27.9	170.3	-22.4	32.1	0	0	0	113.5	Y306 R309 V310 V313 Y319 E455 G461	Y306-P459 HydrophobicContact CD2-CB 4.43Å; Y306-P459 VanDerWaalsContact CD2-O 3.29Å; Y306-P459 WeakPolarHBondContact CD2-O 3.46Å; Y306-P459 HydrophobicContact CE2-CB 4.02Å; R309-P459 HydrophobicContact CB-CB 4.04Å; R309-P459 VanDerWaalsContact CZ-O 3.27Å; R309-P459 PolarHBondContact NE-O 3.44Å; R309-P459 PolarHBondContact NH2-O 2.94Å; V310-P459 HydrophobicContact CG2-CB 4.41Å; V313-P459 HydrophobicContact CB-CG 4.37Å; V313-P459 HydrophobicContact CG1-CG 3.89Å; Y319-P459 HydrophobicContact CD2-CG 4.05Å; Y319-P459 HydrophobicContact CE2-CB 4.23Å; Y319-P459 HydrophobicContact CE2-CG 3.59Å; E455-P459 WeakPolarHBondContact O-CD 3.5Å; E455-P459 VanDerWaalsContact O-CG 3.24Å; E455-P459 WeakPolarHBondContact O-CG 3.3Å; P459-G461 PolarHBondContact O-N 3.26Å
460	M	97.3	Very high	97.5	Very high	5 Å²	5	27 Å²	27	3%	0.025	15%	0.149	C	C	.	.	H	α-helix	trans	-68.3	-24.8	175.4	-64	177.8	-175.7	0	0	112.2	Y306 A347 L350 Y351 A354 V456 L457 L458	Y306-M460 HydrophobicContact CE2-CB 4.25Å; Y306-M460 HydrophobicContact CE2-CG 3.61Å; Y306-M460 VanDerWaalsContact OH-CE 3.3Å; Y306-M460 WeakPolarHBondContact OH-CE 3.36Å; Y306-M460 WeakPolarHBondContact OH-CG 3.33Å; A347-M460 HydrophobicContact CB-CE 4.02Å; L350-M460 HydrophobicContact CB-SD 3.67Å; Y351-M460 HydrophobicContact CD2-CB 4.11Å; Y351-M460 HydrophobicContact CD2-CG 4.28Å; A354-M460 HydrophobicContact CB-CB 4.15Å; A354-M460 VanDerWaalsContact CB-O 3.29Å; A354-M460 WeakPolarHBondContact CB-O 3.44Å; V456-M460 HydrophobicContact CG1-CE 3.8Å; V456-M460 WeakPolarHBondContact O-CG 3.44Å; L457-M460 WeakPolarHBondContact O-CB 3.46Å; L457-M460 PolarHBondContact O-N 2.95Å; L458-M460 PolarHBondContact O-N 3.34Å
461	G	95.9	Very high	97.5	Very high	32 Å²	32	27.2 Å²	27.2	33%	0.33	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	98.9	18.2	-177.5	0	0	0	0	0	114.4	K357 L458 P459	K357-G461 PolarHBondContact NZ-O 3.08Å; L458-G461 PolarHBondContact O-N 3.31Å; P459-G461 PolarHBondContact O-N 3.26Å
462	L	96.6	Very high	97.4	Very high	9 Å²	9	26.9 Å²	26.9	5%	0.047	15%	0.151	C	C	.	.			trans	-67.7	146.2	169.7	-73.1	168.3	0	0	0	110.3	A354 F359 L457 V466 V468	A354-L462 HydrophobicContact CB-CD2 3.98Å; A354-L462 HydrophobicContact CB-CG 3.89Å; F359-L462 HydrophobicContact CD2-CD2 4.01Å; F359-L462 HydrophobicContact CE2-CD2 3.86Å; L457-L462 HydrophobicContact CB-CD1 4.02Å; L457-L462 HydrophobicContact CD2-CD1 3.81Å; L457-L462 HydrophobicContact CG-CD1 4.42Å; L462-V466 HydrophobicContact CD2-CG1 4.39Å; L462-V468 HydrophobicContact CD1-CG2 4.4Å
463	P	95.8	Very high	97.3	Very high	39 Å²	39	26.9 Å²	26.9	25%	0.253	15%	0.152	S	C	.	.			trans	-59.6	149.3	173.8	-21.2	32.7	0	0	0	112.5	F359 N465 V466	F359-P463 HydrophobicContact CB-CG 4.07Å; F359-P463 HydrophobicContact CG-CG 4.41Å; P463-N465 VanDerWaalsContact CB-OD1 3.23Å; P463-N465 WeakPolarHBondContact CB-OD1 3.28Å; P463-N465 PolarHBondContact O-N 3.26Å; P463-V466 HydrophobicContact CB-CG2 3.97Å; P463-V466 HydrophobicContact CG-CG2 3.94Å; P463-V466 WeakPolarHBondContact O-CB 3.23Å; P463-V466 PolarHBondContact O-N 3.4Å
464	E	95.1	Very high	97.1	Very high	170 Å²	170	25.1 Å²	25.1	79%	0.794	15%	0.147	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.1	-28	-177.6	-68.6	-178.4	177.7	0	0	114.1	L458 V466	L458-E464 HydrophobicContact CD2-CB 4.48Å; L458-E464 HydrophobicContact CD2-CG 4Å; E464-V466 VanDerWaalsContact C-N 3.28Å
465	N	95.6	Very high	96.9	Very high	64 Å²	64	22 Å²	22	34%	0.342	13%	0.127	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.1	-3.1	176	67.3	-41.1	0	0	0	113.3	E394 D395 P463	E394-N465 CarbonylContact C-O 3.59Å; E394-N465 VanDerWaalsContact CA-O 3.23Å; E394-N465 WeakPolarHBondContact CA-O 3.38Å; E394-N465 WeakPolarHBondContact CG-ND2 3.5Å; E394-N465 PolarHBondContact OE1-ND2 3.41Å; D395-N465 PolarHBondContact N-O 2.84Å; P463-N465 VanDerWaalsContact CB-OD1 3.23Å; P463-N465 WeakPolarHBondContact CB-OD1 3.28Å; P463-N465 PolarHBondContact O-N 3.26Å
466	V	97.4	Very high	96.7	Very high	3 Å²	3	21.4 Å²	21.4	2%	0.018	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	120.1	177	173.3	0	0	0	0	109.8	F359 E394 L462 P463 E464	F359-V466 HydrophobicContact CD1-CG2 3.6Å; F359-V466 HydrophobicContact CD2-CG2 4.18Å; F359-V466 HydrophobicContact CE1-CB 4.45Å; F359-V466 HydrophobicContact CE1-CG1 4.08Å; F359-V466 HydrophobicContact CE1-CG2 3.45Å; F359-V466 VanDerWaalsContact CE1-CG2 3.45Å; F359-V466 HydrophobicContact CE2-CG1 3.74Å; F359-V466 HydrophobicContact CE2-CG2 4.04Å; F359-V466 HydrophobicContact CG-CG2 3.98Å; F359-V466 HydrophobicContact CZ-CB 4.26Å; F359-V466 HydrophobicContact CZ-CG1 3.46Å; F359-V466 VanDerWaalsContact CZ-CG1 3.46Å; F359-V466 HydrophobicContact CZ-CG2 3.69Å; E394-V466 HydrophobicContact CG-CG2 4Å; L462-V466 HydrophobicContact CD2-CG1 4.39Å; P463-V466 HydrophobicContact CB-CG2 3.97Å; P463-V466 HydrophobicContact CG-CG2 3.94Å; P463-V466 WeakPolarHBondContact O-CB 3.23Å; P463-V466 PolarHBondContact O-N 3.4Å; E464-V466 VanDerWaalsContact C-N 3.28Å
467	N	97.8	Very high	96.2	Very high	49 Å²	49	26.2 Å²	26.2	26%	0.262	14%	0.142	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	153.4	172.3	-58	110	0	0	0	109.7	A393 L396 M451	A393-N467 PolarHBondContact N-O 3.43Å; A393-N467 VanDerWaalsContact N-O 3.17Å; A393-N467 PolarHBondContact O-N 3.27Å; L396-N467 HydrophobicContact CB-CB 4.01Å; L396-N467 WeakPolarHBondContact CD1-O 3.22Å; M451-N467 HydrophobicContact CE-CB 4.37Å
468	V	98.5	Very high	95.7	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	123.1	177.6	-172.4	0	0	0	0	109.3	L350 I390 V391 A392 M451 F452 L457 L462	L350-V468 HydrophobicContact CD1-CG1 4.12Å; L350-V468 HydrophobicContact CD1-CG2 4.4Å; L350-V468 HydrophobicContact CD2-CG1 4.02Å; L350-V468 HydrophobicContact CD2-CG2 3.86Å; I390-V468 HydrophobicContact CB-CG1 4.43Å; V391-V468 CarbonylContact O-C 3.56Å; V391-V468 VanDerWaalsContact O-CA 3.27Å; V391-V468 WeakPolarHBondContact O-CA 3.41Å; V391-V468 WeakPolarHBondContact O-CG1 3.48Å; A392-V468 HydrophobicContact CB-CG1 4.35Å; A392-V468 HydrophobicContact CB-CG2 3.75Å; M451-V468 CarbonylContact C-O 3.59Å; M451-V468 WeakPolarHBondContact CA-O 3.31Å; F452-V468 HydrophobicContact CB-CB 4.26Å; F452-V468 HydrophobicContact CD2-CB 3.78Å; F452-V468 HydrophobicContact CD2-CG1 3.53Å; F452-V468 HydrophobicContact CE2-CG1 4Å; F452-V468 HydrophobicContact CG-CB 4.49Å; F452-V468 PolarHBondContact N-O 3.45Å; L457-V468 HydrophobicContact CD1-CB 4.13Å; L457-V468 HydrophobicContact CD1-CG2 3.83Å; L457-V468 HydrophobicContact CD2-CB 4.05Å; L457-V468 HydrophobicContact CD2-CG2 3.58Å; L457-V468 HydrophobicContact CG-CG2 4.37Å; L462-V468 HydrophobicContact CD1-CG2 4.4Å
469	I	98.5	Very high	95.3	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	142.4	173.4	64.2	-176.3	0	0	0	109	I390 V391 L396 H400 L401 I404 M451	I390-I469 CarbonylContact C-O 3.54Å; I390-I469 WeakPolarHBondContact CA-O 2.87Å; V391-I469 HydrophobicContact CB-CD1 4.13Å; V391-I469 HydrophobicContact CB-CG1 3.76Å; V391-I469 HydrophobicContact CG2-CG1 4.42Å; V391-I469 PolarHBondContact N-O 3.34Å; V391-I469 PolarHBondContact O-N 2.94Å; L396-I469 HydrophobicContact CB-CG2 3.98Å; L396-I469 HydrophobicContact CD1-CD1 4.05Å; L396-I469 HydrophobicContact CD1-CG1 3.94Å; L396-I469 HydrophobicContact CD1-CG2 4.23Å; H400-I469 HydrophobicContact CB-CD1 4.2Å; L401-I469 HydrophobicContact CB-CB 4.13Å; L401-I469 HydrophobicContact CB-CD1 4.26Å; L401-I469 HydrophobicContact CB-CG2 4.22Å; L401-I469 HydrophobicContact CD1-CB 4.21Å; I404-I469 HydrophobicContact CD1-CD1 3.86Å; M451-I469 HydrophobicContact CE-CG2 4.26Å; M451-I469 HydrophobicContact CG-CG2 3.97Å
470	A	98.3	Very high	94.9	Very high	8 Å²	8	27 Å²	27	7%	0.066	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	151.8	-175	0	0	0	0	0	111.7	G389 I390 S449 G450 F452	G389-A470 CarbonylContact O-C 3.58Å; G389-A470 VanDerWaalsContact O-CA 3.26Å; G389-A470 WeakPolarHBondContact O-CA 3.4Å; I390-A470 HydrophobicContact CB-CB 4.48Å; I390-A470 HydrophobicContact CG2-CB 3.73Å; S449-A470 CarbonylContact C-O 3.56Å; S449-A470 VanDerWaalsContact CA-O 3.23Å; S449-A470 WeakPolarHBondContact CA-O 3.09Å; S449-A470 WeakPolarHBondContact CB-O 3.42Å; G450-A470 PolarHBondContact N-O 2.64Å; G450-A470 PolarHBondContact O-N 3.23Å; F452-A470 HydrophobicContact CD2-CB 4.12Å; F452-A470 HydrophobicContact CE2-CB 3.57Å; F452-A470 HydrophobicContact CZ-CB 4.2Å
471	W	98.2	Very high	94.3	Very high	4 Å²	4	30.2 Å²	30.2	2%	0.015	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	153.4	169.6	74.4	101.3	0	0	0	111.1	F252 F257 E388 G389 V391 I404 L405 F408 I433 N448	F252-W471 HydrophobicContact CD1-CZ2 4.39Å; F252-W471 AromaticContact CE1-CH2 3.99Å; F252-W471 HydrophobicContact CE1-CH2 3.99Å; F252-W471 AromaticContact CE1-CZ2 3.41Å; F252-W471 HydrophobicContact CE1-CZ2 3.41Å; F252-W471 VanDerWaalsContact CE1-CZ2 3.41Å; F252-W471 AromaticContact CZ-CZ2 3.97Å; F252-W471 HydrophobicContact CZ-CZ2 3.97Å; F257-W471 AromaticContact CE1-CH2 3.53Å; F257-W471 HydrophobicContact CE1-CH2 3.53Å; F257-W471 AromaticContact CE1-CZ3 3.97Å; F257-W471 HydrophobicContact CE1-CZ3 3.97Å; F257-W471 HydrophobicContact CE2-CH2 4.26Å; F257-W471 AromaticContact CZ-CH2 3.4Å; F257-W471 HydrophobicContact CZ-CH2 3.4Å; F257-W471 HydrophobicContact CZ-CZ2 4.49Å; F257-W471 AromaticContact CZ-CZ3 3.97Å; F257-W471 HydrophobicContact CZ-CZ3 3.97Å; E388-W471 WeakPolarHBondContact CA-O 3.47Å; E388-W471 WeakPolarHBondContact CG-O 3.3Å; G389-W471 PolarHBondContact N-O 3.5Å; G389-W471 VanDerWaalsContact O-CE3 3.26Å; G389-W471 PolarHBondContact O-N 2.87Å; V391-W471 HydrophobicContact CG2-CZ3 4.4Å; I404-W471 HydrophobicContact CG2-CE3 4.44Å; I404-W471 HydrophobicContact CG2-CH2 3.51Å; I404-W471 HydrophobicContact CG2-CZ2 4.24Å; I404-W471 HydrophobicContact CG2-CZ3 3.64Å; L405-W471 HydrophobicContact CD2-CB 3.7Å; L405-W471 HydrophobicContact CD2-CD2 3.88Å; L405-W471 HydrophobicContact CD2-CG 3.49Å; L405-W471 VanDerWaalsContact CD2-CG 3.49Å; F408-W471 HydrophobicContact CB-CZ2 4.44Å; F408-W471 AromaticContact CD1-NE1 3.74Å; F408-W471 AromaticContact CD2-CZ2 3.85Å; F408-W471 HydrophobicContact CD2-CZ2 3.85Å; F408-W471 AromaticContact CE1-NE1 3.68Å; F408-W471 HydrophobicContact CE2-CZ2 4.26Å; F408-W471 HydrophobicContact CG-CZ2 4.1Å; F408-W471 AromaticContact CG-NE1 3.95Å; F408-W471 AromaticContact CZ-NE1 3.84Å; I433-W471 HydrophobicContact CD1-CB 4.48Å; N448-W471 CarbonylContact O-C 3.33Å; N448-W471 WeakPolarHBondContact O-CA 3.37Å
472	G	96.9	Very high	93.7	Very high	15 Å²	15	30.7 Å²	30.7	16%	0.155	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	152.7	177	0	0	0	0	0	112.8	I387 G447 N448	I387-G472 CarbonylContact O-C 3.56Å; I387-G472 WeakPolarHBondContact O-CA 3.15Å; G447-G472 WeakPolarHBondContact CA-O 3.37Å; N448-G472 PolarHBondContact N-O 3.04Å; N448-G472 PolarHBondContact O-N 3.24Å
473	L	95.6	Very high	93.3	Very high	7 Å²	7	32 Å²	32	4%	0.037	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	160.5	175.6	62.4	150.8	0	0	0	110.1	F248 I387 F408 V446 P478	F248-L473 HydrophobicContact CE1-CD1 3.83Å; F248-L473 HydrophobicContact CZ-CD1 3.9Å; I387-L473 HydrophobicContact CB-CD2 4.15Å; I387-L473 HydrophobicContact CB-CG 4.15Å; I387-L473 HydrophobicContact CD1-CD1 4.21Å; I387-L473 HydrophobicContact CD1-CG 4.08Å; I387-L473 HydrophobicContact CG2-CD2 4.04Å; I387-L473 PolarHBondContact N-O 3.46Å; I387-L473 PolarHBondContact O-N 2.91Å; F408-L473 HydrophobicContact CE1-CD2 3.91Å; F408-L473 HydrophobicContact CZ-CD2 4.11Å; V446-L473 WeakPolarHBondContact O-CB 3.12Å; L473-P478 HydrophobicContact CD1-CG 3.95Å
474	S	93.7	Very high	92.8	Very high	11 Å²	11	33.5 Å²	33.5	8%	0.077	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80	148.7	170.3	67.9	0	0	0	0	110.7	H385 R477 P478	H385-S474 WeakPolarHBondContact O-CA 3.46Å; S474-R477 WeakPolarHBondContact OG-CB 3.48Å; S474-R477 WeakPolarHBondContact OG-CG 3.36Å; S474-R477 PolarHBondContact OG-N 2.97Å; S474-R477 PolarHBondContact OG-NE 3.42Å; S474-P478 WeakPolarHBondContact O-CD 3.2Å
475	L	94.8	Very high	92.4	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	15%	0.151	C	C	.	.	S	Bend	trans	-76.7	-31.6	174	-176.6	67.9	0	0	0	111.3	L241 V244 R245 F248 I367 H385 I387 P478 T479	L241-L475 HydrophobicContact CD1-CB 4.22Å; L241-L475 HydrophobicContact CD1-CD2 3.68Å; L241-L475 HydrophobicContact CD1-CG 3.61Å; L241-L475 HydrophobicContact CG-CD2 3.74Å; L241-L475 HydrophobicContact CG-CG 4.23Å; V244-L475 HydrophobicContact CB-CD1 4.41Å; V244-L475 HydrophobicContact CG1-CD1 3.88Å; R245-L475 HydrophobicContact CB-CD1 4.3Å; R245-L475 HydrophobicContact CB-CD2 3.81Å; R245-L475 HydrophobicContact CG-CD2 4.42Å; F248-L475 HydrophobicContact CD2-CD1 3.71Å; F248-L475 HydrophobicContact CE2-CD1 4.13Å; I367-L475 HydrophobicContact CG2-CD2 4.37Å; H385-L475 HydrophobicContact CB-CB 3.88Å; H385-L475 HydrophobicContact CB-CD2 3.9Å; H385-L475 PolarHBondContact O-N 3.33Å; I387-L475 HydrophobicContact CD1-CB 4.08Å; I387-L475 HydrophobicContact CD1-CD1 3.74Å; I387-L475 HydrophobicContact CG1-CB 4.32Å; I387-L475 HydrophobicContact CG1-CD1 4.33Å; L475-P478 WeakPolarHBondContact O-CD 3.35Å; L475-T479 WeakPolarHBondContact O-CB 3.35Å; L475-T479 PolarHBondContact O-N 2.99Å; L475-T479 PolarHBondContact O-OG1 3.32Å
476	E	93	Very high	92	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-65.8	-44.2	-176.3	-70.6	71.9	-161.6	0	0	111.9	L241 F384 H385 T479 M480 I488 L491	L241-E476 HydrophobicContact CD1-CG 4.11Å; F384-E476 HydrophobicContact CB-CG 4.47Å; H385-E476 IonicContact CE1-OE1 3.68Å; H385-E476 IonicContact CG-OE1 2.86Å; H385-E476 VanDerWaalsContact N-CD 3.34Å; H385-E476 PolarHBondContact N-OE1 3.48Å; H385-E476 PolarHBondContact N-OE2 3.25Å; H385-E476 VanDerWaalsContact N-OE2 3.15Å; H385-E476 IonicContact ND1-OE1 3.68Å; H385-E476 PolarHBondContact ND1-OE1 2.92Å; E476-T479 PolarHBondContact O-N 3.47Å; E476-M480 WeakPolarHBondContact O-CB 3.49Å; E476-M480 VanDerWaalsContact O-CG 3.29Å; E476-M480 WeakPolarHBondContact O-CG 3.41Å; E476-M480 PolarHBondContact O-N 3.04Å; E476-I488 HydrophobicContact CB-CD1 3.7Å; E476-I488 HydrophobicContact CB-CG1 4.03Å; E476-I488 HydrophobicContact CG-CD1 3.99Å; E476-I488 HydrophobicContact CG-CG1 4.18Å; E476-L491 HydrophobicContact CB-CD2 4.14Å; E476-L491 HydrophobicContact CG-CD2 4.17Å
477	R	86.9	Confident	91.5	Very high	101 Å²	101	29.9 Å²	29.9	38%	0.381	18%	0.178	S	C	.	.	H	α-helix	trans	-60	-52.8	-176.8	-81.3	-175.3	-85.8	179.8	-15.4	112.3	E445 S474 T479 M480 I481	E445-R477 IonicContact OE1-CZ 2.99Å; E445-R477 IonicContact OE1-NH1 2.76Å; E445-R477 PolarHBondContact OE1-NH1 3Å; E445-R477 IonicContact OE1-NH2 4Å; S474-R477 WeakPolarHBondContact OG-CB 3.48Å; S474-R477 WeakPolarHBondContact OG-CG 3.36Å; S474-R477 PolarHBondContact OG-N 2.97Å; S474-R477 PolarHBondContact OG-NE 3.42Å; R477-T479 VanDerWaalsContact C-N 3.29Å; R477-T479 PolarHBondContact O-N 3.25Å; R477-M480 PolarHBondContact O-N 3.16Å; R477-I481 WeakPolarHBondContact O-CG1 3.42Å; R477-I481 PolarHBondContact O-N 3.07Å; R477-I481 VanDerWaalsContact O-N 3.13Å
478	P	87.7	Confident	90.9	Very high	24 Å²	24	28 Å²	28	16%	0.156	17%	0.168	C	C	.	.	H	α-helix	trans	-59.3	-38.8	173.7	-24.1	33.2	0	0	0	113	F248 L473 S474 L475 I481 K482	F248-P478 HydrophobicContact CE2-CB 4.12Å; F248-P478 HydrophobicContact CE2-CG 4.31Å; F248-P478 HydrophobicContact CZ-CB 4.08Å; F248-P478 HydrophobicContact CZ-CG 3.97Å; L473-P478 HydrophobicContact CD1-CG 3.95Å; S474-P478 WeakPolarHBondContact O-CD 3.2Å; L475-P478 WeakPolarHBondContact O-CD 3.35Å; P478-I481 PolarHBondContact O-N 3.13Å; P478-K482 WeakPolarHBondContact O-CB 3.36Å; P478-K482 PolarHBondContact O-N 3.21Å
479	T	90.4	Very high	90.3	Very high	0 Å²	0	34 Å²	34	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-65.6	-44.5	179.8	-56	0	0	0	0	111.5	L241 V244 L475 E476 R477 I481 K482 Y483 L491	L241-T479 HydrophobicContact CD1-CG2 4.29Å; V244-T479 WeakPolarHBondContact CG1-OG1 3.43Å; V244-T479 HydrophobicContact CG2-CG2 4.06Å; L475-T479 WeakPolarHBondContact O-CB 3.35Å; L475-T479 PolarHBondContact O-N 2.99Å; L475-T479 PolarHBondContact O-OG1 3.32Å; E476-T479 PolarHBondContact O-N 3.47Å; R477-T479 VanDerWaalsContact C-N 3.29Å; R477-T479 PolarHBondContact O-N 3.25Å; T479-I481 VanDerWaalsContact C-N 3.31Å; T479-I481 PolarHBondContact O-N 3.4Å; T479-K482 PolarHBondContact O-N 3.38Å; T479-Y483 HydrophobicContact CG2-CD2 3.84Å; T479-Y483 HydrophobicContact CG2-CE2 4.2Å; T479-Y483 WeakPolarHBondContact O-CD2 3.33Å; T479-Y483 PolarHBondContact O-N 3.32Å; T479-L491 HydrophobicContact CG2-CD1 3.61Å; T479-L491 HydrophobicContact CG2-CD2 3.88Å; T479-L491 HydrophobicContact CG2-CG 4.39Å
480	M	88.7	Confident	89.7	Confident	26 Å²	26	37.6 Å²	37.6	13%	0.128	21%	0.209	C	C	.	.	H	α-helix	trans	-58.4	-45	176	-75.6	177.5	70.2	0	0	111.4	E476 R477 G484 I485 I488 L491	E476-M480 WeakPolarHBondContact O-CB 3.49Å; E476-M480 VanDerWaalsContact O-CG 3.29Å; E476-M480 WeakPolarHBondContact O-CG 3.41Å; E476-M480 PolarHBondContact O-N 3.04Å; R477-M480 PolarHBondContact O-N 3.16Å; M480-G484 CarbonylContact O-C 3.55Å; M480-G484 WeakPolarHBondContact O-CA 3.36Å; M480-G484 PolarHBondContact O-N 3.2Å; M480-I485 HydrophobicContact CB-CB 4.49Å; M480-I485 WeakPolarHBondContact CB-O 3.49Å; M480-I485 WeakPolarHBondContact CE-O 3.34Å; M480-I485 HydrophobicContact CG-CB 4.39Å; M480-I485 HydrophobicContact CG-CG2 4.45Å; M480-I485 PolarHBondContact O-N 3.4Å; M480-I488 HydrophobicContact CE-CB 4.18Å; M480-I488 HydrophobicContact SD-CB 3.64Å; M480-I488 HydrophobicContact SD-CD1 4.31Å; M480-I488 HydrophobicContact SD-CG1 3.77Å; M480-L491 HydrophobicContact CG-CD2 4.02Å
481	I	84.5	Confident	89.2	Confident	73 Å²	73	37.2 Å²	37.2	37%	0.374	21%	0.206	S	C	.	.	H	α-helix	trans	-62.5	-48	176.3	-72.1	166.2	0	0	0	111	H437 R477 P478 T479 Y483 G484	H437-I481 WeakPolarHBondContact NE2-CG2 3.39Å; R477-I481 WeakPolarHBondContact O-CG1 3.42Å; R477-I481 PolarHBondContact O-N 3.07Å; R477-I481 VanDerWaalsContact O-N 3.13Å; P478-I481 PolarHBondContact O-N 3.13Å; T479-I481 VanDerWaalsContact C-N 3.31Å; T479-I481 PolarHBondContact O-N 3.4Å; I481-Y483 PolarHBondContact O-N 2.72Å; I481-G484 PolarHBondContact O-N 3.45Å
482	K	83.9	Confident	88.6	Confident	42 Å²	42	39 Å²	39	18%	0.183	21%	0.214	C	C	.	.	H	α-helix	trans	-63.5	-40.3	-176.2	-163.7	-179.5	-151.9	-179.5	0	112.8	V244 E247 P478 T479 C507 Q508 F509	V244-K482 HydrophobicContact CG2-CD 4.14Å; E247-K482 IonicContact OE1-NZ 2.81Å; E247-K482 PolarHBondContact OE1-NZ 3.4Å; E247-K482 IonicContact OE2-NZ 3.82Å; E247-K482 PolarHBondContact OE2-NZ 3.08Å; P478-K482 WeakPolarHBondContact O-CB 3.36Å; P478-K482 PolarHBondContact O-N 3.21Å; T479-K482 PolarHBondContact O-N 3.38Å; K482-C507 HydrophobicContact CD-CB 3.66Å; K482-C507 HydrophobicContact CG-CB 4.02Å; K482-C507 VanDerWaalsContact NZ-C 3.33Å; K482-C507 PolarHBondContact NZ-O 3.04Å; K482-Q508 VanDerWaalsContact NZ-C 3.32Å; K482-F509 HydrophobicContact CB-CE1 4.36Å; K482-F509 HydrophobicContact CB-CZ 4.14Å; K482-F509 HydrophobicContact CD-CD1 4.3Å; K482-F509 HydrophobicContact CD-CD2 4.32Å; K482-F509 HydrophobicContact CD-CE1 3.82Å; K482-F509 HydrophobicContact CD-CE2 3.81Å; K482-F509 HydrophobicContact CD-CZ 3.54Å; K482-F509 HydrophobicContact CG-CE1 4Å; K482-F509 HydrophobicContact CG-CZ 4.03Å
483	Y	87.6	Confident	88.1	Confident	37 Å²	37	39.3 Å²	39.3	15%	0.145	22%	0.218	C	C	.	.	H	α-helix	trans	-95.9	0.5	-178.6	-73	-89.2	0	0	0	113.9	P240 Q243 V244 T479 I481 I485 C507	P240-Y483 HydrophobicContact CB-CD1 4.35Å; P240-Y483 HydrophobicContact CB-CD2 4.12Å; P240-Y483 HydrophobicContact CB-CE1 4.03Å; P240-Y483 HydrophobicContact CB-CE2 3.79Å; P240-Y483 HydrophobicContact CB-CG 4.39Å; P240-Y483 HydrophobicContact CG-CE1 4.42Å; Q243-Y483 PolarHBondContact OE1-OH 2.88Å; V244-Y483 HydrophobicContact CG2-CE2 3.83Å; T479-Y483 HydrophobicContact CG2-CD2 3.84Å; T479-Y483 HydrophobicContact CG2-CE2 4.2Å; T479-Y483 WeakPolarHBondContact O-CD2 3.33Å; T479-Y483 PolarHBondContact O-N 3.32Å; I481-Y483 PolarHBondContact O-N 2.72Å; Y483-I485 VanDerWaalsContact C-N 3.35Å; Y483-C507 HydrophobicContact CE1-CB 4.16Å; Y483-C507 VanDerWaalsContact CE1-SG 3.53Å; Y483-C507 HydrophobicContact CE2-CB 4.1Å
484	G	86	Confident	87.8	Confident	69 Å²	69	45.7 Å²	45.7	71%	0.711	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	68	30.7	-179.7	0	0	0	0	0	114.1	M480 I481	M480-G484 CarbonylContact O-C 3.55Å; M480-G484 WeakPolarHBondContact O-CA 3.36Å; M480-G484 PolarHBondContact O-N 3.2Å; I481-G484 PolarHBondContact O-N 3.45Å
485	I	86.8	Confident	87.4	Confident	25 Å²	25	56.2 Å²	56.2	13%	0.128	30%	0.298	C	S	.	.			trans	-90.1	124.8	-179.4	-60.3	166.2	0	0	0	109.2	M480 Y483 N487 D490 L491 M500	M480-I485 HydrophobicContact CB-CB 4.49Å; M480-I485 WeakPolarHBondContact CB-O 3.49Å; M480-I485 WeakPolarHBondContact CE-O 3.34Å; M480-I485 HydrophobicContact CG-CB 4.39Å; M480-I485 HydrophobicContact CG-CG2 4.45Å; M480-I485 PolarHBondContact O-N 3.4Å; Y483-I485 VanDerWaalsContact C-N 3.35Å; I485-N487 WeakPolarHBondContact CG2-O 3.5Å; I485-D490 HydrophobicContact CG2-CB 4.34Å; I485-L491 HydrophobicContact CD1-CD1 3.78Å; I485-M500 HydrophobicContact CD1-CE 4.39Å; I485-M500 HydrophobicContact CD1-SD 3.83Å; I485-M500 HydrophobicContact CG1-SD 4.3Å
486	S	86.1	Confident	87.2	Confident	110 Å²	110	57.5 Å²	57.5	77%	0.769	31%	0.305	S	S	*	.	S	Bend	trans	-89.7	-21.3	-177.2	55.1	0	0	0	0	114.8
487	N	87.5	Confident	87.1	Confident	27 Å²	27	62.2 Å²	62.2	14%	0.144	33%	0.331	C	S	.	.			trans	-125.5	120.5	-175.2	166.3	25.6	0	0	0	109.6	I485 R489 D490	I485-N487 WeakPolarHBondContact CG2-O 3.5Å; N487-R489 PolarHBondContact O-N 2.92Å; N487-R489 VanDerWaalsContact O-N 3.15Å; N487-R489 WeakPolarHBondContact OD1-CB 3.46Å; N487-R489 PolarHBondContact OD1-N 2.82Å; N487-R489 PolarHBondContact OD1-NE 3.18Å; N487-D490 WeakPolarHBondContact CB-OD2 3.13Å; N487-D490 VanDerWaalsContact ND2-CG 3.32Å; N487-D490 PolarHBondContact ND2-OD1 3.49Å; N487-D490 VanDerWaalsContact ND2-OD1 3.15Å; N487-D490 PolarHBondContact ND2-OD2 2.98Å; N487-D490 PolarHBondContact O-N 3.48Å; N487-D490 VanDerWaalsContact O-N 3.08Å
488	I	85.4	Confident	87.3	Confident	10 Å²	10	63.4 Å²	63.4	5%	0.051	34%	0.344	C	S	.	.	G	3₁₀ helix	trans	-61	-27.6	-174.5	-162.9	169.7	0	0	0	112.7	A378 L381 E476 M480 D490 L491	A378-I488 WeakPolarHBondContact O-CG2 3.28Å; A378-I488 PolarHBondContact O-N 3.04Å; A378-I488 VanDerWaalsContact O-N 3.12Å; L381-I488 HydrophobicContact CD1-CD1 3.95Å; L381-I488 HydrophobicContact CD1-CG1 3.74Å; L381-I488 HydrophobicContact CD1-CG2 4.4Å; L381-I488 HydrophobicContact CD2-CG2 3.89Å; L381-I488 HydrophobicContact CG-CB 4.45Å; L381-I488 HydrophobicContact CG-CD1 3.93Å; L381-I488 HydrophobicContact CG-CG1 3.95Å; L381-I488 HydrophobicContact CG-CG2 3.75Å; E476-I488 HydrophobicContact CB-CD1 3.7Å; E476-I488 HydrophobicContact CB-CG1 4.03Å; E476-I488 HydrophobicContact CG-CD1 3.99Å; E476-I488 HydrophobicContact CG-CG1 4.18Å; M480-I488 HydrophobicContact CE-CB 4.18Å; M480-I488 HydrophobicContact SD-CB 3.64Å; M480-I488 HydrophobicContact SD-CD1 4.31Å; M480-I488 HydrophobicContact SD-CG1 3.77Å; I488-D490 PolarHBondContact O-N 2.84Å; I488-L491 WeakPolarHBondContact O-CB 3.23Å; I488-L491 PolarHBondContact O-N 2.88Å; I488-L491 VanDerWaalsContact O-N 3.11Å
489	R	85	Confident	87.4	Confident	124 Å²	124	64.1 Å²	64.1	47%	0.468	36%	0.356	S	S	.	.	G	3₁₀ helix	trans	-70.4	-19.2	179.9	-61.5	178	-66	175.2	-0.7	113.4	L381 N487 L491	L381-R489 HydrophobicContact CD2-CG 3.82Å; N487-R489 PolarHBondContact O-N 2.92Å; N487-R489 VanDerWaalsContact O-N 3.15Å; N487-R489 WeakPolarHBondContact OD1-CB 3.46Å; N487-R489 PolarHBondContact OD1-N 2.82Å; N487-R489 PolarHBondContact OD1-NE 3.18Å; R489-L491 VanDerWaalsContact C-N 3.3Å
490	D	87.2	Confident	87.4	Confident	76 Å²	76	65.9 Å²	65.9	41%	0.406	36%	0.364	S	S	.	.	G	3₁₀ helix	trans	-83.9	-14.8	176.2	-55.8	-26.4	0	0	0	111	I485 N487 I488	I485-D490 HydrophobicContact CG2-CB 4.34Å; N487-D490 WeakPolarHBondContact CB-OD2 3.13Å; N487-D490 VanDerWaalsContact ND2-CG 3.32Å; N487-D490 PolarHBondContact ND2-OD1 3.49Å; N487-D490 VanDerWaalsContact ND2-OD1 3.15Å; N487-D490 PolarHBondContact ND2-OD2 2.98Å; N487-D490 PolarHBondContact O-N 3.48Å; N487-D490 VanDerWaalsContact O-N 3.08Å; I488-D490 PolarHBondContact O-N 2.84Å
491	L	87.1	Confident	87.4	Confident	0 Å²	0	65.6 Å²	65.6	0%	0	36%	0.363	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.1	-44.2	-179.6	-180	59.2	0	0	0	112.5	H239 L241 E476 T479 M480 I485 I488 R489	H239-L491 PolarHBondContact CE1-O 2.97Å; H239-L491 PolarHBondContact NE2-O 2.83Å; L241-L491 HydrophobicContact CB-CD1 4.33Å; L241-L491 HydrophobicContact CB-CG 4.48Å; L241-L491 HydrophobicContact CD1-CD2 3.9Å; L241-L491 HydrophobicContact CD1-CG 4.44Å; E476-L491 HydrophobicContact CB-CD2 4.14Å; E476-L491 HydrophobicContact CG-CD2 4.17Å; T479-L491 HydrophobicContact CG2-CD1 3.61Å; T479-L491 HydrophobicContact CG2-CD2 3.88Å; T479-L491 HydrophobicContact CG2-CG 4.39Å; M480-L491 HydrophobicContact CG-CD2 4.02Å; I485-L491 HydrophobicContact CD1-CD1 3.78Å; I488-L491 WeakPolarHBondContact O-CB 3.23Å; I488-L491 PolarHBondContact O-N 2.88Å; I488-L491 VanDerWaalsContact O-N 3.11Å; R489-L491 VanDerWaalsContact C-N 3.3Å
492	F	85.8	Confident	87.6	Confident	42 Å²	42	63.4 Å²	63.4	18%	0.184	36%	0.356	C	S	.	.	S	Bend	trans	-144.4	142.5	-172.6	167.7	-97.8	0	0	0	111.8	L241 R369 E383	L241-F492 HydrophobicContact CD2-CB 4.16Å; L241-F492 HydrophobicContact CD2-CD2 4.45Å; L241-F492 HydrophobicContact CD2-CG 4.4Å; R369-F492 VanDerWaalsContact NH2-CZ 3.26Å; E383-F492 HydrophobicContact CG-CE1 4.18Å; E383-F492 WeakPolarHBondContact OE1-CE1 3.27Å
493	G	87.5	Confident	87.8	Confident	22 Å²	22	65.7 Å²	65.7	23%	0.227	38%	0.377	C	S	.	.	S	Bend	trans	128.5	177.7	177.4	0	0	0	0	0	112.8	R495 V496	G493-R495 PolarHBondContact O-N 3.22Å; G493-R495 VanDerWaalsContact O-N 3.12Å; G493-V496 WeakPolarHBondContact O-CB 3.32Å; G493-V496 WeakPolarHBondContact O-CG1 3.28Å; G493-V496 PolarHBondContact O-N 3.26Å
494	P	87.8	Confident	87.7	Confident	141 Å²	141	64.6 Å²	64.6	92%	0.916	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.7	-12	-177	27.5	-35.4	0	0	0	114
495	R	86.7	Confident	87.6	Confident	232 Å²	232	65.1 Å²	65.1	88%	0.875	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100	8.6	178.9	-62.3	-172.9	-175.9	175.4	2.4	113.5	G493 D497	G493-R495 PolarHBondContact O-N 3.22Å; G493-R495 VanDerWaalsContact O-N 3.12Å; R495-D497 PolarHBondContact O-N 3.16Å
496	V	89.5	Confident	87.2	Confident	27 Å²	27	70.3 Å²	70.3	16%	0.164	39%	0.392	C	S	.	.			trans	-58.2	136.8	178.8	67.8	0	0	0	0	110.9	G493 L498 M500 I501	G493-V496 WeakPolarHBondContact O-CB 3.32Å; G493-V496 WeakPolarHBondContact O-CG1 3.28Å; G493-V496 PolarHBondContact O-N 3.26Å; V496-L498 HydrophobicContact CG1-CD2 4.32Å; V496-L498 PolarHBondContact O-N 3.34Å; V496-M500 HydrophobicContact CG2-CE 4.03Å; V496-I501 HydrophobicContact CG1-CD1 4.05Å; V496-I501 HydrophobicContact CG2-CD1 3.89Å; V496-I501 HydrophobicContact CG2-CG1 4.22Å
497	D	91	Very high	86.2	Confident	99 Å²	99	66.3 Å²	66.3	53%	0.529	36%	0.364	S	S	.	.			trans	-73.9	111.4	175.4	178.6	13.8	0	0	0	110.5	R495 G499 M500 I501	R495-D497 PolarHBondContact O-N 3.16Å; D497-G499 PolarHBondContact O-N 3.37Å; D497-G499 WeakPolarHBondContact OD1-CA 3.34Å; D497-G499 PolarHBondContact OD1-N 3.12Å; D497-M500 HydrophobicContact CB-CB 4Å; D497-M500 WeakPolarHBondContact O-CB 3.43Å; D497-M500 PolarHBondContact O-N 3.42Å; D497-M500 PolarHBondContact OD2-N 3.09Å; D497-I501 PolarHBondContact O-N 2.89Å
498	L	91.5	Very high	85.1	Confident	125 Å²	125	72.7 Å²	72.7	65%	0.654	39%	0.393	S	S	*	.	H	α-helix	trans	-64.8	-26.3	176.9	-58.6	-176.9	0	0	0	112.3	V496 I501 A502	V496-L498 HydrophobicContact CG1-CD2 4.32Å; V496-L498 PolarHBondContact O-N 3.34Å; L498-I501 HydrophobicContact CD2-CD1 4.02Å; L498-I501 PolarHBondContact O-N 2.82Å; L498-A502 WeakPolarHBondContact O-CB 3.37Å; L498-A502 PolarHBondContact O-N 2.96Å
499	G	89.9	Confident	83.8	Confident	40 Å²	40	77.4 Å²	77.4	41%	0.412	41%	0.413	S	S	.	.	H	α-helix	trans	-66	-40.8	173	0	0	0	0	0	112.3	D497 A502 S503	D497-G499 PolarHBondContact O-N 3.37Å; D497-G499 WeakPolarHBondContact OD1-CA 3.34Å; D497-G499 PolarHBondContact OD1-N 3.12Å; G499-A502 PolarHBondContact O-N 2.94Å; G499-S503 WeakPolarHBondContact O-CB 3.31Å; G499-S503 PolarHBondContact O-N 3.3Å; G499-S503 PolarHBondContact O-OG 3.3Å
500	M	89.6	Confident	83.7	Confident	36 Å²	36	75.1 Å²	75.1	18%	0.177	41%	0.411	C	S	.	.	H	α-helix	trans	-59.7	-46.3	170.5	-176.7	-161.4	70.2	0	0	111	I485 V496 D497 A502 S503 S504	I485-M500 HydrophobicContact CD1-CE 4.39Å; I485-M500 HydrophobicContact CD1-SD 3.83Å; I485-M500 HydrophobicContact CG1-SD 4.3Å; V496-M500 HydrophobicContact CG2-CE 4.03Å; D497-M500 HydrophobicContact CB-CB 4Å; D497-M500 WeakPolarHBondContact O-CB 3.43Å; D497-M500 PolarHBondContact O-N 3.42Å; D497-M500 PolarHBondContact OD2-N 3.09Å; M500-A502 VanDerWaalsContact C-N 3.31Å; M500-A502 PolarHBondContact O-N 2.85Å; M500-S503 PolarHBondContact O-N 3.49Å; M500-S503 PolarHBondContact O-OG 3.38Å; M500-S504 WeakPolarHBondContact O-CB 3.43Å; M500-S504 PolarHBondContact O-N 3.06Å; M500-S504 PolarHBondContact O-OG 3.16Å
501	I	89.9	Confident	83.6	Confident	21 Å²	21	75.1 Å²	75.1	11%	0.108	41%	0.411	C	S	.	.	H	α-helix	trans	-60.3	-42.2	177.1	-62.1	176	0	0	0	110.9	V496 D497 L498 S504	V496-I501 HydrophobicContact CG1-CD1 4.05Å; V496-I501 HydrophobicContact CG2-CD1 3.89Å; V496-I501 HydrophobicContact CG2-CG1 4.22Å; D497-I501 PolarHBondContact O-N 2.89Å; L498-I501 HydrophobicContact CD2-CD1 4.02Å; L498-I501 PolarHBondContact O-N 2.82Å; I501-S504 PolarHBondContact O-N 3.33Å
502	A	88.2	Confident	83.4	Confident	27 Å²	27	79.2 Å²	79.2	22%	0.223	43%	0.434	C	S	.	.	H	α-helix	trans	-68.9	-35.7	-177.6	0	0	0	0	0	113.8	R235 Y237 L498 G499 M500	R235-A502 PolarHBondContact NH2-O 3.41Å; R235-A502 VanDerWaalsContact NH2-O 3.11Å; Y237-A502 VanDerWaalsContact CD1-CA 3.46Å; Y237-A502 HydrophobicContact CD1-CB 4.11Å; Y237-A502 HydrophobicContact CD2-CB 4.33Å; Y237-A502 VanDerWaalsContact CE1-CA 3.45Å; Y237-A502 HydrophobicContact CE1-CB 3.7Å; Y237-A502 VanDerWaalsContact CE1-O 3.25Å; Y237-A502 WeakPolarHBondContact CE1-O 3.13Å; Y237-A502 HydrophobicContact CE2-CB 3.99Å; Y237-A502 HydrophobicContact CG-CB 4.39Å; L498-A502 WeakPolarHBondContact O-CB 3.37Å; L498-A502 PolarHBondContact O-N 2.96Å; G499-A502 PolarHBondContact O-N 2.94Å; M500-A502 VanDerWaalsContact C-N 3.31Å; M500-A502 PolarHBondContact O-N 2.85Å
503	S	87.4	Confident	83.2	Confident	90 Å²	90	81.4 Å²	81.4	63%	0.629	45%	0.448	S	S	*	.	H	α-helix	trans	-87.9	-12.8	-179.6	58	0	0	0	0	113.8	G499 M500	G499-S503 WeakPolarHBondContact O-CB 3.31Å; G499-S503 PolarHBondContact O-N 3.3Å; G499-S503 PolarHBondContact O-OG 3.3Å; M500-S503 PolarHBondContact O-N 3.49Å; M500-S503 PolarHBondContact O-OG 3.38Å
504	S	86	Confident	83	Confident	14 Å²	14	85.1 Å²	85.1	10%	0.098	46%	0.462	C	S	.	.			trans	-59	125.3	-179.2	-73.3	0	0	0	0	111.1	P240 M500 I501	P240-S504 WeakPolarHBondContact CG-OG 3.29Å; M500-S504 WeakPolarHBondContact O-CB 3.43Å; M500-S504 PolarHBondContact O-N 3.06Å; M500-S504 PolarHBondContact O-OG 3.16Å; I501-S504 PolarHBondContact O-N 3.33Å
505	P	84.4	Confident	82.6	Confident	79 Å²	79	81.4 Å²	81.4	51%	0.513	43%	0.432	S	S	.	.			trans	-69.6	161.8	174.9	27.1	-30.1	0	0	0	110.6	C507	P505-C507 PolarHBondContact O-N 3.23Å; P505-C507 VanDerWaalsContact O-N 3.11Å
506	I	77	Confident	82.4	Confident	134 Å²	134	70.6 Å²	70.6	69%	0.687	40%	0.4	S	S	*	.			trans	-70.2	106.4	166	-60.5	174.1	0	0	0	106.3	Q508	I506-Q508 HydrophobicContact CG2-CG 4.42Å
507	C	65.5	Low	81.8	Confident	26 Å²	26	74 Å²	74	18%	0.176	42%	0.419	C	S	.	.			trans	-101.1	102.2	175.7	-66.5	0	0	0	0	108.8	K482 Y483 P505	K482-C507 HydrophobicContact CD-CB 3.66Å; K482-C507 HydrophobicContact CG-CB 4.02Å; K482-C507 VanDerWaalsContact NZ-C 3.33Å; K482-C507 PolarHBondContact NZ-O 3.04Å; Y483-C507 HydrophobicContact CE1-CB 4.16Å; Y483-C507 VanDerWaalsContact CE1-SG 3.53Å; Y483-C507 HydrophobicContact CE2-CB 4.1Å; P505-C507 PolarHBondContact O-N 3.23Å; P505-C507 VanDerWaalsContact O-N 3.11Å
508	Q	65	Low	81	Confident	162 Å²	162	71.9 Å²	71.9	76%	0.757	41%	0.409	S	S	*	.			trans	-100.9	140.7	160	-68.6	-178.5	-21	0	0	107.8	E247 K482 I506	E247-Q508 VanDerWaalsContact OE1-CA 3.3Å; E247-Q508 WeakPolarHBondContact OE1-CA 3.43Å; K482-Q508 VanDerWaalsContact NZ-C 3.32Å; I506-Q508 HydrophobicContact CG2-CG 4.42Å
509	F	57.9	Low	80.1	Confident	109 Å²	109	67.1 Å²	67.1	48%	0.478	39%	0.387	S	S	.	.			trans	-71.6	0	-179.2	-82.7	-65.5	0	0	0	110.2	V244 E247 L412 K482	V244-F509 HydrophobicContact CG1-CE2 4.48Å; E247-F509 HydrophobicContact CG-CD2 4.25Å; E247-F509 WeakPolarHBondContact OE1-CB 3.44Å; E247-F509 WeakPolarHBondContact OE1-CD2 3.32Å; E247-F509 PolarHBondContact OE1-N 2.89Å; E247-F509 WeakPolarHBondContact OE2-CD2 3.4Å; E247-F509 WeakPolarHBondContact OE2-CE2 3.37Å; L412-F509 HydrophobicContact CD2-CD2 3.64Å; L412-F509 HydrophobicContact CD2-CE2 3.89Å; L412-F509 HydrophobicContact CD2-CG 4.4Å; L412-F509 VanDerWaalsContact O-CD1 3.24Å; L412-F509 WeakPolarHBondContact O-CD1 3.39Å; K482-F509 HydrophobicContact CB-CE1 4.36Å; K482-F509 HydrophobicContact CB-CZ 4.14Å; K482-F509 HydrophobicContact CD-CD1 4.3Å; K482-F509 HydrophobicContact CD-CD2 4.32Å; K482-F509 HydrophobicContact CD-CE1 3.82Å; K482-F509 HydrophobicContact CD-CE2 3.81Å; K482-F509 HydrophobicContact CD-CZ 3.54Å; K482-F509 HydrophobicContact CG-CE1 4Å; K482-F509 HydrophobicContact CG-CZ 4.03Å

Retrieved 509 of 509 residues in 303.8 ms (Link to these results)

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