G9HW02_SCHMA Loading...

Alpha 1,6 fucosyltransferase H

AlphaFold DB , UniProt , Accession G9HW02, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene FucTH, Length 599 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	39.6	Very low	38.5	Very low	226 Å²	226	154.9 Å²	154.9	100%	1.113	80%	0.801	S	S	*	*				0	113.1	0	-111.4	173.6	164.3	0	0	106.3	V3	M1-V3 HydrophobicContact CG-CG2 4.03Å
2	V	39.3	Very low	39.2	Very low	142 Å²	142	151.2 Å²	151.2	86%	0.861	79%	0.789	S	S	*	*				-139.1	113.9	73.7	173	0	0	0	0	108
3	V	34.2	Very low	39.4	Very low	98 Å²	98	156.5 Å²	156.5	59%	0.594	79%	0.793	S	S	*	*				57.9	96.2	77	-169.6	0	0	0	0	114.5	M1	M1-V3 HydrophobicContact CG-CG2 4.03Å
4	T	31	Very low	40.5	Very low	118 Å²	118	149.9 Å²	149.9	72%	0.724	77%	0.765	S	S	*	*			trans	3.4	137.3	148.7	47.8	0	0	0	0	120.6
5	S	39.1	Very low	41.5	Very low	121 Å²	121	147.7 Å²	147.7	85%	0.846	76%	0.755	S	S	*	*			trans	-134	109.2	144.1	172	0	0	0	0	109.9
6	F	33.5	Very low	42.6	Very low	167 Å²	167	145.1 Å²	145.1	73%	0.732	74%	0.742	S	S	*	*			trans	-81.6	129.3	163.6	-97.8	-92.1	0	0	0	109.4
7	K	37.1	Very low	43.8	Very low	203 Å²	203	141.9 Å²	141.9	88%	0.883	73%	0.732	S	S	*	*			trans	169.2	87.3	155.4	-96.5	169.1	-173.9	-173.7	0	106
8	N	37.8	Very low	45.3	Very low	128 Å²	128	138.2 Å²	138.2	68%	0.684	72%	0.716	S	S	*	*				35.9	95.8	60.9	-79.7	-7.8	0	0	0	112.7
9	L	42	Very low	46.7	Very low	159 Å²	159	133.6 Å²	133.6	83%	0.832	70%	0.701	S	S	*	*				160.5	44.9	116.1	-106.6	126	0	0	0	116.1
10	F	43	Very low	48	Very low	191 Å²	191	131 Å²	131	84%	0.838	69%	0.691	S	S	*	*	S	Bend	trans	-131.3	5.6	169.6	-87.4	-77.7	0	0	0	117.2
11	H	46.8	Very low	49	Very low	151 Å²	151	127.1 Å²	127.1	70%	0.699	68%	0.677	S	S	*	*			trans	-96.4	7.2	-168.7	-75	-62.9	0	0	0	118.1	L15	H11-L15 WeakPolarHBondContact O-CD1 2.98Å
12	V	47.2	Very low	50.6	Low	110 Å²	110	121.8 Å²	121.8	67%	0.667	65%	0.652	S	S	*	*	H	α-helix	trans	-87.2	-27.4	-178.8	-171.3	0	0	0	0	113.4	I16	V12-I16 HydrophobicContact CG1-CD1 4.21Å
13	R	42.2	Very low	51.9	Low	221 Å²	221	123.5 Å²	123.5	83%	0.834	64%	0.644	S	S	*	*	H	α-helix	trans	-69.1	-44.5	177.2	-96.1	-177.8	171.7	176.6	-2.5	114	L15 T17	R13-L15 VanDerWaalsContact C-N 3.3Å; R13-L15 PolarHBondContact O-N 3.06Å; R13-T17 PolarHBondContact O-N 3.03Å; R13-T17 PolarHBondContact O-OG1 3.44Å
14	P	53.7	Low	53.6	Low	63 Å²	63	123.1 Å²	123.1	41%	0.409	64%	0.638	S	S	.	*	H	α-helix	trans	-62.2	-36.9	178.5	-21.8	32.1	0	0	0	112.7	T17 T18	P14-T17 WeakPolarHBondContact CA-OG1 2.96Å; P14-T17 PolarHBondContact O-N 3.36Å; P14-T17 PolarHBondContact O-OG1 3.09Å; P14-T18 WeakPolarHBondContact O-CB 3.16Å; P14-T18 WeakPolarHBondContact O-CG2 3.38Å; P14-T18 PolarHBondContact O-N 3.09Å; P14-T18 PolarHBondContact O-OG1 3.25Å
15	L	56	Low	55.2	Low	117 Å²	117	121.2 Å²	121.2	61%	0.613	63%	0.628	S	S	*	*	H	α-helix	trans	-68.4	-35.8	-174.9	-106	149.8	0	0	0	113.8	H11 R13 T18 A19	H11-L15 WeakPolarHBondContact O-CD1 2.98Å; R13-L15 VanDerWaalsContact C-N 3.3Å; R13-L15 PolarHBondContact O-N 3.06Å; L15-T18 WeakPolarHBondContact CA-OG1 3.39Å; L15-T18 PolarHBondContact O-OG1 2.97Å; L15-T18 VanDerWaalsContact O-OG1 3.06Å; L15-A19 WeakPolarHBondContact O-CB 3.37Å; L15-A19 PolarHBondContact O-N 2.71Å
16	I	59.5	Low	56.7	Low	107 Å²	107	118.8 Å²	118.8	55%	0.549	61%	0.608	S	S	.	*	H	α-helix	trans	-76.5	-40.4	176.4	-62.4	173.5	0	0	0	109.9	V12 T18 A19 V20	V12-I16 HydrophobicContact CG1-CD1 4.21Å; I16-T18 VanDerWaalsContact C-N 3.34Å; I16-T18 PolarHBondContact O-N 2.76Å; I16-A19 PolarHBondContact O-N 3.49Å; I16-V20 HydrophobicContact CG2-CG2 4.47Å; I16-V20 WeakPolarHBondContact O-CG2 3.39Å; I16-V20 PolarHBondContact O-N 3.32Å
17	T	63.2	Low	58.3	Low	91 Å²	91	115 Å²	115	56%	0.558	59%	0.594	S	S	*	*	H	α-helix	trans	-65.3	-36.8	175.6	48.3	0	0	0	0	112.3	R13 P14 A21	R13-T17 PolarHBondContact O-N 3.03Å; R13-T17 PolarHBondContact O-OG1 3.44Å; P14-T17 WeakPolarHBondContact CA-OG1 2.96Å; P14-T17 PolarHBondContact O-N 3.36Å; P14-T17 PolarHBondContact O-OG1 3.09Å; T17-A21 WeakPolarHBondContact O-CB 3.29Å; T17-A21 PolarHBondContact O-N 3.3Å
18	T	70.4	Confident	59.6	Low	74 Å²	74	109.3 Å²	109.3	45%	0.454	57%	0.573	S	S	.	*	H	α-helix	trans	-71.5	-38.7	175.2	47.9	0	0	0	0	112	P14 L15 I16 A21 L22	P14-T18 WeakPolarHBondContact O-CB 3.16Å; P14-T18 WeakPolarHBondContact O-CG2 3.38Å; P14-T18 PolarHBondContact O-N 3.09Å; P14-T18 PolarHBondContact O-OG1 3.25Å; L15-T18 WeakPolarHBondContact CA-OG1 3.39Å; L15-T18 PolarHBondContact O-OG1 2.97Å; L15-T18 VanDerWaalsContact O-OG1 3.06Å; I16-T18 VanDerWaalsContact C-N 3.34Å; I16-T18 PolarHBondContact O-N 2.76Å; T18-A21 PolarHBondContact O-N 3.43Å; T18-L22 VanDerWaalsContact O-CB 3.24Å; T18-L22 WeakPolarHBondContact O-CB 2.93Å; T18-L22 WeakPolarHBondContact O-CD1 3.23Å; T18-L22 VanDerWaalsContact O-CG 3.25Å; T18-L22 WeakPolarHBondContact O-CG 3.25Å; T18-L22 PolarHBondContact O-N 3.32Å
19	A	72.1	Confident	60.7	Low	52 Å²	52	109.4 Å²	109.4	43%	0.43	56%	0.564	S	S	.	*	H	α-helix	trans	-65.7	-41.4	176.8	0	0	0	0	0	112.5	L15 I16 L22 W23	L15-A19 WeakPolarHBondContact O-CB 3.37Å; L15-A19 PolarHBondContact O-N 2.71Å; I16-A19 PolarHBondContact O-N 3.49Å; A19-L22 PolarHBondContact O-N 2.81Å; A19-W23 PolarHBondContact O-N 3.2Å
20	V	72.5	Confident	61.6	Low	81 Å²	81	106.3 Å²	106.3	49%	0.491	55%	0.548	S	S	.	.	H	α-helix	trans	-70.2	-40.9	176.1	174.9	0	0	0	0	111.1	I16 L22 W23 I24	I16-V20 HydrophobicContact CG2-CG2 4.47Å; I16-V20 WeakPolarHBondContact O-CG2 3.39Å; I16-V20 PolarHBondContact O-N 3.32Å; V20-L22 VanDerWaalsContact C-N 3.34Å; V20-L22 PolarHBondContact O-N 3.44Å; V20-W23 PolarHBondContact O-N 2.7Å; V20-I24 HydrophobicContact CG1-CD1 3.88Å; V20-I24 HydrophobicContact CG1-CG1 4.43Å; V20-I24 WeakPolarHBondContact O-CG1 3.35Å; V20-I24 PolarHBondContact O-N 2.98Å
21	A	69.9	Low	62.5	Low	50 Å²	50	99.6 Å²	99.6	41%	0.413	53%	0.525	S	S	.	.	H	α-helix	trans	-61.3	-42.7	173.3	0	0	0	0	0	111.4	T17 T18 W23 I24 C25	T17-A21 WeakPolarHBondContact O-CB 3.29Å; T17-A21 PolarHBondContact O-N 3.3Å; T18-A21 PolarHBondContact O-N 3.43Å; A21-W23 PolarHBondContact O-N 3.48Å; A21-I24 PolarHBondContact O-N 3.17Å; A21-C25 VanDerWaalsContact O-CB 3.29Å; A21-C25 WeakPolarHBondContact O-CB 3.17Å; A21-C25 PolarHBondContact O-N 2.83Å; A21-C25 PolarHBondContact O-SG 3.37Å
22	L	72.7	Confident	62.5	Low	113 Å²	113	99 Å²	99	59%	0.592	52%	0.521	S	S	*	.	H	α-helix	trans	-61.7	-41.3	174.6	-81.9	162	0	0	0	111.8	T18 A19 V20 C25 V26	T18-L22 VanDerWaalsContact O-CB 3.24Å; T18-L22 WeakPolarHBondContact O-CB 2.93Å; T18-L22 WeakPolarHBondContact O-CD1 3.23Å; T18-L22 VanDerWaalsContact O-CG 3.25Å; T18-L22 WeakPolarHBondContact O-CG 3.25Å; T18-L22 PolarHBondContact O-N 3.32Å; A19-L22 PolarHBondContact O-N 2.81Å; V20-L22 VanDerWaalsContact C-N 3.34Å; V20-L22 PolarHBondContact O-N 3.44Å; L22-C25 PolarHBondContact O-N 3.34Å; L22-V26 WeakPolarHBondContact O-CB 3.37Å; L22-V26 VanDerWaalsContact O-CG2 3.24Å; L22-V26 WeakPolarHBondContact O-CG2 3.22Å; L22-V26 PolarHBondContact O-N 3.32Å
23	W	65.5	Low	62.7	Low	178 Å²	178	95 Å²	95	67%	0.674	50%	0.495	S	S	*	.	H	α-helix	trans	-69.4	-40.1	178.8	-121.9	90.9	0	0	0	112.9	A19 V20 A21 C25 V26 I27	A19-W23 PolarHBondContact O-N 3.2Å; V20-W23 PolarHBondContact O-N 2.7Å; A21-W23 PolarHBondContact O-N 3.48Å; W23-C25 VanDerWaalsContact C-N 3.35Å; W23-V26 PolarHBondContact O-N 2.77Å; W23-I27 HydrophobicContact CE3-CD1 3.55Å; W23-I27 HydrophobicContact CE3-CG1 3.77Å; W23-I27 HydrophobicContact CZ3-CD1 3.67Å; W23-I27 HydrophobicContact CZ3-CG1 3.83Å; W23-I27 WeakPolarHBondContact O-CG1 3.35Å; W23-I27 PolarHBondContact O-N 3.24Å
24	I	70.8	Confident	63	Low	91 Å²	91	92.7 Å²	92.7	47%	0.467	49%	0.492	S	S	.	.	H	α-helix	trans	-65.4	-41.4	172.9	-67.2	170.3	0	0	0	109.8	V20 A21 V26 I27 I28	V20-I24 HydrophobicContact CG1-CD1 3.88Å; V20-I24 HydrophobicContact CG1-CG1 4.43Å; V20-I24 WeakPolarHBondContact O-CG1 3.35Å; V20-I24 PolarHBondContact O-N 2.98Å; A21-I24 PolarHBondContact O-N 3.17Å; I24-V26 VanDerWaalsContact C-N 3.32Å; I24-V26 PolarHBondContact O-N 2.83Å; I24-I27 PolarHBondContact O-N 2.74Å; I24-I28 HydrophobicContact CG2-CD1 3.61Å; I24-I28 HydrophobicContact CG2-CG1 4.19Å; I24-I28 WeakPolarHBondContact O-CB 2.97Å; I24-I28 VanDerWaalsContact O-CG1 3.23Å; I24-I28 WeakPolarHBondContact O-CG1 3.44Å; I24-I28 PolarHBondContact O-N 2.93Å
25	C	65.1	Low	62.8	Low	77 Å²	77	98.2 Å²	98.2	52%	0.52	51%	0.51	S	S	.	.	H	α-helix	trans	-61.2	-38.3	172.6	-73.1	0	0	0	0	112	A21 L22 W23 Y29	A21-C25 VanDerWaalsContact O-CB 3.29Å; A21-C25 WeakPolarHBondContact O-CB 3.17Å; A21-C25 PolarHBondContact O-N 2.83Å; A21-C25 PolarHBondContact O-SG 3.37Å; L22-C25 PolarHBondContact O-N 3.34Å; W23-C25 VanDerWaalsContact C-N 3.35Å; C25-Y29 WeakPolarHBondContact O-CA 3.26Å; C25-Y29 WeakPolarHBondContact O-CB 3.36Å; C25-Y29 PolarHBondContact O-N 2.87Å
26	V	69.5	Low	62.2	Low	70 Å²	70	98 Å²	98	42%	0.424	51%	0.51	S	S	.	.	H	α-helix	trans	-68.4	-41.3	175.9	168.5	0	0	0	0	111.4	L22 W23 I24 Y29 L30	L22-V26 WeakPolarHBondContact O-CB 3.37Å; L22-V26 VanDerWaalsContact O-CG2 3.24Å; L22-V26 WeakPolarHBondContact O-CG2 3.22Å; L22-V26 PolarHBondContact O-N 3.32Å; W23-V26 PolarHBondContact O-N 2.77Å; I24-V26 VanDerWaalsContact C-N 3.32Å; I24-V26 PolarHBondContact O-N 2.83Å; V26-Y29 PolarHBondContact O-N 2.62Å; V26-L30 HydrophobicContact CG1-CD1 3.79Å; V26-L30 HydrophobicContact CG1-CG 4.29Å; V26-L30 VanDerWaalsContact O-CB 3.28Å; V26-L30 WeakPolarHBondContact O-CB 3.11Å; V26-L30 WeakPolarHBondContact O-CG 3.42Å; V26-L30 PolarHBondContact O-N 3.08Å
27	I	68.3	Low	61.6	Low	87 Å²	87	95.5 Å²	95.5	45%	0.446	50%	0.497	S	S	.	.	H	α-helix	trans	-66.4	-46.7	175	-66.6	168.8	0	0	0	110.6	W23 I24 Y29 L30 S31	W23-I27 HydrophobicContact CE3-CD1 3.55Å; W23-I27 HydrophobicContact CE3-CG1 3.77Å; W23-I27 HydrophobicContact CZ3-CD1 3.67Å; W23-I27 HydrophobicContact CZ3-CG1 3.83Å; W23-I27 WeakPolarHBondContact O-CG1 3.35Å; W23-I27 PolarHBondContact O-N 3.24Å; I24-I27 PolarHBondContact O-N 2.74Å; I27-Y29 VanDerWaalsContact C-N 3.3Å; I27-Y29 PolarHBondContact O-N 2.82Å; I27-L30 PolarHBondContact O-N 3.44Å; I27-S31 WeakPolarHBondContact O-CB 3.27Å; I27-S31 PolarHBondContact O-N 3.46Å; I27-S31 PolarHBondContact O-OG 3.43Å
28	I	64.5	Low	61.1	Low	85 Å²	85	100.6 Å²	100.6	44%	0.436	51%	0.514	S	S	.	.	H	α-helix	trans	-61.3	-42.1	176.3	-68.2	172.4	0	0	0	109.4	I24 S31 F32	I24-I28 HydrophobicContact CG2-CD1 3.61Å; I24-I28 HydrophobicContact CG2-CG1 4.19Å; I24-I28 WeakPolarHBondContact O-CB 2.97Å; I24-I28 VanDerWaalsContact O-CG1 3.23Å; I24-I28 WeakPolarHBondContact O-CG1 3.44Å; I24-I28 PolarHBondContact O-N 2.93Å; I28-S31 WeakPolarHBondContact CA-OG 3.36Å; I28-S31 PolarHBondContact O-N 2.75Å; I28-S31 PolarHBondContact O-OG 3.2Å; I28-F32 HydrophobicContact CG2-CD2 3.9Å; I28-F32 HydrophobicContact CG2-CE2 4.44Å; I28-F32 VanDerWaalsContact O-CB 3.26Å; I28-F32 WeakPolarHBondContact O-CB 3.49Å; I28-F32 PolarHBondContact O-N 3.43Å
29	Y	59.8	Low	60.1	Low	129 Å²	129	99.6 Å²	99.6	51%	0.506	51%	0.51	S	S	.	.	H	α-helix	trans	-65.4	-44	176.9	-178.7	-90.4	0	0	0	111.4	C25 V26 I27 N33	C25-Y29 WeakPolarHBondContact O-CA 3.26Å; C25-Y29 WeakPolarHBondContact O-CB 3.36Å; C25-Y29 PolarHBondContact O-N 2.87Å; V26-Y29 PolarHBondContact O-N 2.62Å; I27-Y29 VanDerWaalsContact C-N 3.3Å; I27-Y29 PolarHBondContact O-N 2.82Å; Y29-N33 WeakPolarHBondContact CD1-ND2 3.32Å; Y29-N33 WeakPolarHBondContact CD2-ND2 3.42Å; Y29-N33 WeakPolarHBondContact CE1-ND2 3.36Å; Y29-N33 WeakPolarHBondContact CE2-ND2 3.35Å; Y29-N33 WeakPolarHBondContact O-CB 3.48Å; Y29-N33 PolarHBondContact O-N 2.83Å; Y29-N33 PolarHBondContact O-ND2 3.04Å
30	L	61.6	Low	59.3	Low	94 Å²	94	100.3 Å²	100.3	49%	0.492	51%	0.512	S	S	.	.	H	α-helix	trans	-66.1	-40.1	176.5	-73.1	169.6	0	0	0	111.4	V26 I27 F34	V26-L30 HydrophobicContact CG1-CD1 3.79Å; V26-L30 HydrophobicContact CG1-CG 4.29Å; V26-L30 VanDerWaalsContact O-CB 3.28Å; V26-L30 WeakPolarHBondContact O-CB 3.11Å; V26-L30 WeakPolarHBondContact O-CG 3.42Å; V26-L30 PolarHBondContact O-N 3.08Å; I27-L30 PolarHBondContact O-N 3.44Å; L30-F34 VanDerWaalsContact O-CB 3.27Å; L30-F34 WeakPolarHBondContact O-CB 3.24Å; L30-F34 PolarHBondContact O-N 3.44Å
31	S	60.9	Low	58.6	Low	51 Å²	51	102.5 Å²	102.5	36%	0.357	52%	0.521	S	S	.	.	H	α-helix	trans	-74.1	-42.7	178.4	47.4	0	0	0	0	112.6	I27 I28 F35	I27-S31 WeakPolarHBondContact O-CB 3.27Å; I27-S31 PolarHBondContact O-N 3.46Å; I27-S31 PolarHBondContact O-OG 3.43Å; I28-S31 WeakPolarHBondContact CA-OG 3.36Å; I28-S31 PolarHBondContact O-N 2.75Å; I28-S31 PolarHBondContact O-OG 3.2Å; S31-F35 WeakPolarHBondContact O-CD2 3.33Å; S31-F35 PolarHBondContact O-N 3.33Å
32	F	48.2	Very low	57.6	Low	138 Å²	138	103.6 Å²	103.6	61%	0.605	52%	0.518	S	S	*	.	H	α-helix	trans	-67.2	-42.6	173.5	-101.4	-97	0	0	0	112.4	I28 N36	I28-F32 HydrophobicContact CG2-CD2 3.9Å; I28-F32 HydrophobicContact CG2-CE2 4.44Å; I28-F32 VanDerWaalsContact O-CB 3.26Å; I28-F32 WeakPolarHBondContact O-CB 3.49Å; I28-F32 PolarHBondContact O-N 3.43Å; F32-N36 WeakPolarHBondContact O-CB 3.24Å; F32-N36 PolarHBondContact O-N 2.91Å
33	N	50	Low	56.6	Low	25 Å²	25	100.7 Å²	100.7	13%	0.134	50%	0.501	C	S	.	.	H	α-helix	trans	-74.3	-43.1	-178.6	-72.7	-71.4	0	0	0	111.7	Y29 F35 N36 L37	Y29-N33 WeakPolarHBondContact CD1-ND2 3.32Å; Y29-N33 WeakPolarHBondContact CD2-ND2 3.42Å; Y29-N33 WeakPolarHBondContact CE1-ND2 3.36Å; Y29-N33 WeakPolarHBondContact CE2-ND2 3.35Å; Y29-N33 WeakPolarHBondContact O-CB 3.48Å; Y29-N33 PolarHBondContact O-N 2.83Å; Y29-N33 PolarHBondContact O-ND2 3.04Å; N33-F35 PolarHBondContact O-N 3.19Å; N33-F35 VanDerWaalsContact O-N 3.09Å; N33-N36 PolarHBondContact O-N 3.08Å; N33-L37 HydrophobicContact CB-CD1 3.89Å; N33-L37 HydrophobicContact CB-CD2 4.09Å; N33-L37 HydrophobicContact CB-CG 3.81Å; N33-L37 WeakPolarHBondContact O-CB 3.49Å; N33-L37 WeakPolarHBondContact O-CD1 3.46Å; N33-L37 WeakPolarHBondContact O-CG 3.37Å; N33-L37 PolarHBondContact O-N 3.42Å; N33-L37 VanDerWaalsContact O-N 3.09Å
34	F	50.1	Low	56.3	Low	174 Å²	174	95.7 Å²	95.7	76%	0.763	49%	0.493	S	S	*	.	H	α-helix	trans	-59.1	-30.6	177.6	-112	-91.1	0	0	0	113.2	L30	L30-F34 VanDerWaalsContact O-CB 3.27Å; L30-F34 WeakPolarHBondContact O-CB 3.24Å; L30-F34 PolarHBondContact O-N 3.44Å
35	F	48.7	Very low	55.9	Low	178 Å²	178	94.4 Å²	94.4	78%	0.781	49%	0.492	S	S	*	.	H	α-helix	trans	-92.1	-19.7	179.7	-72.2	-67.1	0	0	0	114.9	S31 N33	S31-F35 WeakPolarHBondContact O-CD2 3.33Å; S31-F35 PolarHBondContact O-N 3.33Å; N33-F35 PolarHBondContact O-N 3.19Å; N33-F35 VanDerWaalsContact O-N 3.09Å
36	N	42.9	Very low	55.6	Low	114 Å²	114	93.3 Å²	93.3	61%	0.61	49%	0.489	S	S	*	.	H	α-helix	trans	-129.9	23.8	-175.8	-74.4	-23.9	0	0	0	115.9	F32 N33 E38	F32-N36 WeakPolarHBondContact O-CB 3.24Å; F32-N36 PolarHBondContact O-N 2.91Å; N33-N36 PolarHBondContact O-N 3.08Å; N36-E38 PolarHBondContact O-N 2.93Å
37	L	47.1	Very low	55.1	Low	53 Å²	53	91.5 Å²	91.5	28%	0.277	48%	0.479	S	S	.	.			trans	-75.2	97.7	178.2	-81.9	163.1	0	0	0	112.6	N33 Q42	N33-L37 HydrophobicContact CB-CD1 3.89Å; N33-L37 HydrophobicContact CB-CD2 4.09Å; N33-L37 HydrophobicContact CB-CG 3.81Å; N33-L37 WeakPolarHBondContact O-CB 3.49Å; N33-L37 WeakPolarHBondContact O-CD1 3.46Å; N33-L37 WeakPolarHBondContact O-CG 3.37Å; N33-L37 PolarHBondContact O-N 3.42Å; N33-L37 VanDerWaalsContact O-N 3.09Å; L37-Q42 HydrophobicContact CD2-CB 3.33Å; L37-Q42 HydrophobicContact CD2-CG 4.05Å; L37-Q42 VanDerWaalsContact CD2-OE1 3.27Å
38	E	52	Low	55	Low	198 Å²	198	92 Å²	92	93%	0.925	48%	0.479	S	S	*	.			trans	-89.3	-6	177.1	-80.2	-174.2	157.1	0	0	115.2	N36	N36-E38 PolarHBondContact O-N 2.93Å
39	S	51.1	Low	55	Low	54 Å²	54	90.7 Å²	90.7	38%	0.378	48%	0.478	S	S	.	.			trans	-131.3	148.7	-175.2	74.3	0	0	0	0	116.2	D41	S39-D41 VanDerWaalsContact C-N 3.35Å; S39-D41 PolarHBondContact O-N 3.22Å
40	S	53.4	Low	55.3	Low	66 Å²	66	88.7 Å²	88.7	46%	0.462	48%	0.476	S	S	.	.	H	α-helix	trans	-65	-31.2	-176.6	55.7	0	0	0	0	114.2	Q43 S44	S40-Q43 PolarHBondContact O-N 3.37Å; S40-S44 PolarHBondContact O-N 3.33Å; S40-S44 VanDerWaalsContact O-N 3.08Å
41	D	59.1	Low	55.6	Low	127 Å²	127	87.2 Å²	87.2	68%	0.679	47%	0.468	S	S	*	.	H	α-helix	trans	-71.2	-36.5	-173.7	-67.7	-8.9	0	0	0	111.6	S39 Q43 S44 S45	S39-D41 VanDerWaalsContact C-N 3.35Å; S39-D41 PolarHBondContact O-N 3.22Å; D41-Q43 VanDerWaalsContact C-N 3.34Å; D41-Q43 PolarHBondContact O-N 3.37Å; D41-S44 PolarHBondContact O-N 3.04Å; D41-S45 PolarHBondContact O-N 3.26Å
42	Q	48.7	Very low	56	Low	74 Å²	74	89.3 Å²	89.3	35%	0.346	48%	0.475	S	S	.	.	H	α-helix	trans	-69.3	-31.9	175.5	-75	177.6	-56	0	0	112.5	L37 A46	L37-Q42 HydrophobicContact CD2-CB 3.33Å; L37-Q42 HydrophobicContact CD2-CG 4.05Å; L37-Q42 VanDerWaalsContact CD2-OE1 3.27Å; Q42-A46 PolarHBondContact O-N 3.36Å; Q42-A46 VanDerWaalsContact O-N 3.08Å
43	Q	52	Low	56.8	Low	52 Å²	52	87.9 Å²	87.9	24%	0.243	47%	0.473	C	S	.	.	H	α-helix	trans	-70.1	-39.4	174	-65.6	179.9	-3.2	0	0	111.8	S40 D41 A46 C47 N129 L132	S40-Q43 PolarHBondContact O-N 3.37Å; D41-Q43 VanDerWaalsContact C-N 3.34Å; D41-Q43 PolarHBondContact O-N 3.37Å; Q43-A46 PolarHBondContact O-N 3.06Å; Q43-C47 PolarHBondContact O-N 3.04Å; Q43-N129 PolarHBondContact OE1-ND2 2.81Å; Q43-L132 HydrophobicContact CB-CD1 4.18Å
44	S	59.5	Low	57.6	Low	72 Å²	72	88.3 Å²	88.3	50%	0.503	47%	0.474	S	S	.	.	H	α-helix	trans	-61	-44.4	173.5	-174.5	0	0	0	0	111.5	S40 D41 A46 C47 Q48	S40-S44 PolarHBondContact O-N 3.33Å; S40-S44 VanDerWaalsContact O-N 3.08Å; D41-S44 PolarHBondContact O-N 3.04Å; S44-A46 PolarHBondContact O-N 2.9Å; S44-C47 WeakPolarHBondContact O-CB 3.5Å; S44-C47 PolarHBondContact O-N 3.41Å; S44-Q48 PolarHBondContact O-N 2.99Å
45	S	62.6	Low	58.5	Low	64 Å²	64	83.4 Å²	83.4	45%	0.448	46%	0.459	S	S	.	.	H	α-helix	trans	-60.7	-40.8	175.5	178	0	0	0	0	113	D41 Q48 S49	D41-S45 PolarHBondContact O-N 3.26Å; S45-Q48 PolarHBondContact O-N 3.37Å; S45-S49 PolarHBondContact O-N 3.48Å; S45-S49 PolarHBondContact O-OG 3.07Å
46	A	57.9	Low	59.5	Low	55 Å²	55	76.7 Å²	76.7	46%	0.455	44%	0.44	S	S	.	.	H	α-helix	trans	-63.3	-42.1	174.9	0	0	0	0	0	111.9	Q42 Q43 S44 S49 L50	Q42-A46 PolarHBondContact O-N 3.36Å; Q42-A46 VanDerWaalsContact O-N 3.08Å; Q43-A46 PolarHBondContact O-N 3.06Å; S44-A46 PolarHBondContact O-N 2.9Å; A46-S49 PolarHBondContact O-N 3.45Å; A46-L50 PolarHBondContact O-N 2.95Å; A46-L50 VanDerWaalsContact O-N 3.09Å
47	C	58.3	Low	60.3	Low	32 Å²	32	76.1 Å²	76.1	22%	0.216	44%	0.436	C	S	.	.	H	α-helix	trans	-61.9	-43.7	174.5	-114.1	0	0	0	0	112.1	Q43 S44 L50 L51	Q43-C47 PolarHBondContact O-N 3.04Å; S44-C47 WeakPolarHBondContact O-CB 3.5Å; S44-C47 PolarHBondContact O-N 3.41Å; C47-L50 WeakPolarHBondContact O-CB 3.43Å; C47-L50 PolarHBondContact O-N 2.91Å; C47-L51 PolarHBondContact O-N 2.95Å
48	Q	66.2	Low	61.4	Low	96 Å²	96	78.1 Å²	78.1	45%	0.449	44%	0.443	S	S	.	.	H	α-helix	trans	-63.4	-43.7	177.5	-171.6	61.3	40.1	0	0	111.6	S44 S45 L50 L51 D52	S44-Q48 PolarHBondContact O-N 2.99Å; S45-Q48 PolarHBondContact O-N 3.37Å; Q48-L50 PolarHBondContact O-N 3.25Å; Q48-L51 WeakPolarHBondContact O-CB 3.29Å; Q48-L51 PolarHBondContact O-N 2.85Å; Q48-L51 VanDerWaalsContact O-N 3.11Å; Q48-D52 PolarHBondContact NE2-OD1 3.09Å; Q48-D52 VanDerWaalsContact O-CG 3.24Å; Q48-D52 PolarHBondContact O-N 3.49Å
49	S	65.6	Low	62.4	Low	58 Å²	58	72 Å²	72	41%	0.406	42%	0.419	S	S	.	.	H	α-helix	trans	-59.6	-38.6	176.5	-57	0	0	0	0	111.7	S45 A46 D52 I53	S45-S49 PolarHBondContact O-N 3.48Å; S45-S49 PolarHBondContact O-OG 3.07Å; A46-S49 PolarHBondContact O-N 3.45Å; S49-D52 PolarHBondContact O-N 2.82Å; S49-I53 VanDerWaalsContact O-CG1 3.29Å; S49-I53 WeakPolarHBondContact O-CG1 3.41Å; S49-I53 PolarHBondContact O-N 3.48Å; S49-I53 VanDerWaalsContact O-N 3.1Å
50	L	64.8	Low	62.9	Low	88 Å²	88	76.2 Å²	76.2	46%	0.461	43%	0.433	S	S	.	.	H	α-helix	trans	-67.2	-41.1	176.5	-134	148.7	0	0	0	111.4	A46 C47 Q48 I53 I54	A46-L50 PolarHBondContact O-N 2.95Å; A46-L50 VanDerWaalsContact O-N 3.09Å; C47-L50 WeakPolarHBondContact O-CB 3.43Å; C47-L50 PolarHBondContact O-N 2.91Å; Q48-L50 PolarHBondContact O-N 3.25Å; L50-I53 PolarHBondContact O-N 3.1Å; L50-I54 HydrophobicContact CD2-CD1 3.84Å; L50-I54 HydrophobicContact CD2-CG1 4.44Å; L50-I54 VanDerWaalsContact O-CG1 3.29Å; L50-I54 WeakPolarHBondContact O-CG1 3.17Å; L50-I54 PolarHBondContact O-N 3.46Å
51	L	69.4	Low	63.5	Low	63 Å²	63	75.6 Å²	75.6	33%	0.33	43%	0.426	S	S	.	.	H	α-helix	trans	-63.5	-41.2	175	-171.7	68.3	0	0	0	111.9	C47 Q48 I54 T55	C47-L51 PolarHBondContact O-N 2.95Å; Q48-L51 WeakPolarHBondContact O-CB 3.29Å; Q48-L51 PolarHBondContact O-N 2.85Å; Q48-L51 VanDerWaalsContact O-N 3.11Å; L51-I54 PolarHBondContact O-N 3.42Å; L51-T55 WeakPolarHBondContact O-CB 3.28Å; L51-T55 PolarHBondContact O-N 3.07Å; L51-T55 PolarHBondContact O-OG1 2.91Å
52	D	69.3	Low	64	Low	94 Å²	94	73.6 Å²	73.6	50%	0.503	42%	0.415	S	S	.	.	H	α-helix	trans	-64.4	-41.1	178	-66	-15.9	0	0	0	111.1	Q48 S49 T55 G56	Q48-D52 PolarHBondContact NE2-OD1 3.09Å; Q48-D52 VanDerWaalsContact O-CG 3.24Å; Q48-D52 PolarHBondContact O-N 3.49Å; S49-D52 PolarHBondContact O-N 2.82Å; D52-T55 PolarHBondContact O-N 3.31Å; D52-G56 PolarHBondContact O-N 3.27Å
53	I	64.9	Low	65	Low	109 Å²	109	74.5 Å²	74.5	56%	0.559	42%	0.421	S	S	*	.	H	α-helix	trans	-62	-48.5	173.6	-69	165.7	0	0	0	111	S49 L50 T55 G56 L57	S49-I53 VanDerWaalsContact O-CG1 3.29Å; S49-I53 WeakPolarHBondContact O-CG1 3.41Å; S49-I53 PolarHBondContact O-N 3.48Å; S49-I53 VanDerWaalsContact O-N 3.1Å; L50-I53 PolarHBondContact O-N 3.1Å; I53-T55 VanDerWaalsContact C-N 3.3Å; I53-T55 PolarHBondContact O-N 3.11Å; I53-G56 PolarHBondContact O-N 3.19Å; I53-L57 HydrophobicContact CG2-CD1 4.18Å; I53-L57 WeakPolarHBondContact O-CG 3.17Å; I53-L57 PolarHBondContact O-N 3.13Å
54	I	66.8	Low	65.3	Low	33 Å²	33	74 Å²	74	17%	0.169	43%	0.43	C	S	.	.	H	α-helix	trans	-59.7	-43.5	178.8	-71.2	168.1	0	0	0	110.6	L50 L51 L57 K58 V143 L146	L50-I54 HydrophobicContact CD2-CD1 3.84Å; L50-I54 HydrophobicContact CD2-CG1 4.44Å; L50-I54 VanDerWaalsContact O-CG1 3.29Å; L50-I54 WeakPolarHBondContact O-CG1 3.17Å; L50-I54 PolarHBondContact O-N 3.46Å; L51-I54 PolarHBondContact O-N 3.42Å; I54-L57 PolarHBondContact O-N 3.05Å; I54-K58 PolarHBondContact O-N 2.87Å; I54-V143 HydrophobicContact CD1-CG2 4.04Å; I54-L146 HydrophobicContact CG2-CD2 3.76Å
55	T	69.5	Low	65.7	Low	71 Å²	71	72.1 Å²	72.1	44%	0.436	42%	0.417	S	S	.	.	H	α-helix	trans	-64.9	-43.3	179	-54.5	0	0	0	0	111.1	L51 D52 I53 L57 K58 T59	L51-T55 WeakPolarHBondContact O-CB 3.28Å; L51-T55 PolarHBondContact O-N 3.07Å; L51-T55 PolarHBondContact O-OG1 2.91Å; D52-T55 PolarHBondContact O-N 3.31Å; I53-T55 VanDerWaalsContact C-N 3.3Å; I53-T55 PolarHBondContact O-N 3.11Å; T55-L57 PolarHBondContact O-N 3.07Å; T55-K58 WeakPolarHBondContact O-CB 3.44Å; T55-K58 PolarHBondContact O-N 2.85Å; T55-T59 PolarHBondContact O-N 3.32Å; T55-T59 PolarHBondContact O-OG1 2.87Å; T55-T59 VanDerWaalsContact O-OG1 3.08Å
56	G	67.7	Low	65.9	Low	37 Å²	37	71 Å²	71	38%	0.381	41%	0.412	S	S	.	.	H	α-helix	trans	-61.4	-41.1	175.7	0	0	0	0	0	113.2	D52 I53 T59 Q60	D52-G56 PolarHBondContact O-N 3.27Å; I53-G56 PolarHBondContact O-N 3.19Å; G56-T59 PolarHBondContact O-N 3.43Å; G56-Q60 PolarHBondContact O-N 3.26Å
57	L	61.3	Low	66.2	Low	102 Å²	102	72.9 Å²	72.9	53%	0.534	41%	0.414	S	S	.	.	H	α-helix	trans	-63	-44.2	174.7	-74	170.4	0	0	0	111.8	I53 I54 T55 T59 Q60 V61	I53-L57 HydrophobicContact CG2-CD1 4.18Å; I53-L57 WeakPolarHBondContact O-CG 3.17Å; I53-L57 PolarHBondContact O-N 3.13Å; I54-L57 PolarHBondContact O-N 3.05Å; T55-L57 PolarHBondContact O-N 3.07Å; L57-T59 VanDerWaalsContact C-N 3.34Å; L57-T59 PolarHBondContact O-N 3.29Å; L57-Q60 PolarHBondContact O-N 3.42Å; L57-V61 PolarHBondContact O-N 3.01Å
58	K	69.5	Low	66.3	Low	95 Å²	95	75 Å²	75	41%	0.413	42%	0.423	S	S	.	.	H	α-helix	trans	-57.2	-47.5	175.5	-174.6	-172.7	176.1	-167	0	111.4	I54 T55 Q60 V61 D62 L146	I54-K58 PolarHBondContact O-N 2.87Å; T55-K58 WeakPolarHBondContact O-CB 3.44Å; T55-K58 PolarHBondContact O-N 2.85Å; K58-Q60 VanDerWaalsContact C-N 3.28Å; K58-Q60 PolarHBondContact O-N 3.33Å; K58-V61 PolarHBondContact O-N 3.41Å; K58-V61 VanDerWaalsContact O-N 3.14Å; K58-D62 PolarHBondContact O-N 3.11Å; K58-L146 HydrophobicContact CB-CD1 4.45Å; K58-L146 HydrophobicContact CG-CD1 4.34Å
59	T	73.6	Confident	66.2	Low	70 Å²	70	78.5 Å²	78.5	43%	0.429	43%	0.432	S	S	.	.	H	α-helix	trans	-58.8	-38.6	178.4	-55.5	0	0	0	0	112.3	T55 G56 L57 D62 I63	T55-T59 PolarHBondContact O-N 3.32Å; T55-T59 PolarHBondContact O-OG1 2.87Å; T55-T59 VanDerWaalsContact O-OG1 3.08Å; G56-T59 PolarHBondContact O-N 3.43Å; L57-T59 VanDerWaalsContact C-N 3.34Å; L57-T59 PolarHBondContact O-N 3.29Å; T59-D62 PolarHBondContact O-N 3.28Å; T59-I63 HydrophobicContact CG2-CD1 4.03Å; T59-I63 VanDerWaalsContact O-CG1 3.29Å; T59-I63 WeakPolarHBondContact O-CG1 3.4Å; T59-I63 PolarHBondContact O-N 2.9Å
60	Q	60.3	Low	66.5	Low	143 Å²	143	81 Å²	81	67%	0.668	44%	0.44	S	S	*	.	H	α-helix	trans	-66.5	-38.7	176.8	-71.2	-164	-5.8	0	0	113	G56 L57 K58 D62 I63 G64	G56-Q60 PolarHBondContact O-N 3.26Å; L57-Q60 PolarHBondContact O-N 3.42Å; K58-Q60 VanDerWaalsContact C-N 3.28Å; K58-Q60 PolarHBondContact O-N 3.33Å; Q60-D62 VanDerWaalsContact C-N 3.35Å; Q60-I63 PolarHBondContact O-N 2.75Å; Q60-G64 PolarHBondContact O-N 2.88Å
61	V	67	Low	66.4	Low	53 Å²	53	82.8 Å²	82.8	32%	0.321	44%	0.444	S	S	.	.	H	α-helix	trans	-64	-41.8	174.9	174.2	0	0	0	0	111.1	L57 K58 G64 S65 L150 I153	L57-V61 PolarHBondContact O-N 3.01Å; K58-V61 PolarHBondContact O-N 3.41Å; K58-V61 VanDerWaalsContact O-N 3.14Å; V61-G64 PolarHBondContact O-N 3.44Å; V61-S65 WeakPolarHBondContact O-CB 3.21Å; V61-S65 PolarHBondContact O-N 3.12Å; V61-S65 PolarHBondContact O-OG 2.87Å; V61-L150 HydrophobicContact CB-CD2 4.31Å; V61-L150 HydrophobicContact CG1-CD2 3.73Å; V61-L150 HydrophobicContact CG2-CD2 3.95Å; V61-I153 HydrophobicContact CG1-CD1 4.42Å
62	D	70.3	Confident	65.8	Low	84 Å²	84	83 Å²	83	45%	0.449	45%	0.445	S	S	.	.	H	α-helix	trans	-62.9	-43.2	177.2	-71	-27.3	0	0	0	111.5	K58 T59 Q60 S65 A66	K58-D62 PolarHBondContact O-N 3.11Å; T59-D62 PolarHBondContact O-N 3.28Å; Q60-D62 VanDerWaalsContact C-N 3.35Å; D62-S65 PolarHBondContact O-N 3.42Å; D62-A66 WeakPolarHBondContact O-CB 3.37Å; D62-A66 PolarHBondContact O-N 3.4Å
63	I	68.2	Low	65.8	Low	93 Å²	93	83.1 Å²	83.1	48%	0.477	45%	0.449	S	S	.	.	H	α-helix	trans	-62.2	-45.9	175.1	-69.5	166.3	0	0	0	111.1	T59 Q60 S65 A66 N67	T59-I63 HydrophobicContact CG2-CD1 4.03Å; T59-I63 VanDerWaalsContact O-CG1 3.29Å; T59-I63 WeakPolarHBondContact O-CG1 3.4Å; T59-I63 PolarHBondContact O-N 2.9Å; Q60-I63 PolarHBondContact O-N 2.75Å; I63-S65 VanDerWaalsContact C-N 3.3Å; I63-S65 PolarHBondContact O-N 2.98Å; I63-A66 PolarHBondContact O-N 2.98Å; I63-N67 WeakPolarHBondContact O-CB 3.45Å; I63-N67 PolarHBondContact O-N 2.86Å; I63-N67 PolarHBondContact O-ND2 3.3Å
64	G	59.6	Low	66.1	Low	41 Å²	41	81 Å²	81	42%	0.423	44%	0.444	S	S	.	.	H	α-helix	trans	-58.1	-43.6	176.4	0	0	0	0	0	112.2	Q60 V61 A66 N67 L68	Q60-G64 PolarHBondContact O-N 2.88Å; V61-G64 PolarHBondContact O-N 3.44Å; G64-A66 PolarHBondContact O-N 3.09Å; G64-N67 PolarHBondContact O-N 3.21Å; G64-L68 PolarHBondContact O-N 2.88Å
65	S	66.3	Low	65.7	Low	34 Å²	34	85.3 Å²	85.3	24%	0.238	46%	0.459	C	S	.	.	H	α-helix	trans	-65.7	-36.2	177.2	-57.4	0	0	0	0	112.8	V61 D62 I63 R69	V61-S65 WeakPolarHBondContact O-CB 3.21Å; V61-S65 PolarHBondContact O-N 3.12Å; V61-S65 PolarHBondContact O-OG 2.87Å; D62-S65 PolarHBondContact O-N 3.42Å; I63-S65 VanDerWaalsContact C-N 3.3Å; I63-S65 PolarHBondContact O-N 2.98Å; S65-R69 PolarHBondContact O-N 3.23Å
66	A	67.6	Low	65	Low	40 Å²	40	86.7 Å²	86.7	33%	0.331	46%	0.464	S	S	.	.	H	α-helix	trans	-69.5	-44.6	174.9	0	0	0	0	0	111.9	D62 I63 G64 L68 R69 I70	D62-A66 WeakPolarHBondContact O-CB 3.37Å; D62-A66 PolarHBondContact O-N 3.4Å; I63-A66 PolarHBondContact O-N 2.98Å; G64-A66 PolarHBondContact O-N 3.09Å; A66-L68 VanDerWaalsContact C-N 3.32Å; A66-L68 PolarHBondContact O-N 3.43Å; A66-R69 WeakPolarHBondContact O-CB 3.29Å; A66-R69 PolarHBondContact O-N 3.21Å; A66-R69 VanDerWaalsContact O-N 3.14Å; A66-I70 WeakPolarHBondContact O-CG1 3.33Å; A66-I70 PolarHBondContact O-N 3.06Å
67	N	64.4	Low	64.8	Low	94 Å²	94	87.7 Å²	87.7	50%	0.503	47%	0.469	S	S	.	.	H	α-helix	trans	-61.9	-40.2	177.4	-73.4	-21.2	0	0	0	111.9	I63 G64 R69 I70 F71	I63-N67 WeakPolarHBondContact O-CB 3.45Å; I63-N67 PolarHBondContact O-N 2.86Å; I63-N67 PolarHBondContact O-ND2 3.3Å; G64-N67 PolarHBondContact O-N 3.21Å; N67-R69 VanDerWaalsContact C-N 3.35Å; N67-R69 PolarHBondContact O-N 3.34Å; N67-I70 PolarHBondContact O-N 2.92Å; N67-F71 PolarHBondContact O-N 3.44Å
68	L	59.2	Low	64.5	Low	76 Å²	76	90.5 Å²	90.5	40%	0.398	48%	0.477	S	S	.	.	H	α-helix	trans	-60.8	-43.6	173.8	-176.5	61.4	0	0	0	111.5	G64 A66 F71 L72 L157	G64-L68 PolarHBondContact O-N 2.88Å; A66-L68 VanDerWaalsContact C-N 3.32Å; A66-L68 PolarHBondContact O-N 3.43Å; L68-F71 PolarHBondContact O-N 3.44Å; L68-L72 HydrophobicContact CG-CD1 4.19Å; L68-L72 VanDerWaalsContact O-CG 3.3Å; L68-L72 WeakPolarHBondContact O-CG 3.35Å; L68-L72 PolarHBondContact O-N 3.17Å; L68-L157 HydrophobicContact CD2-CD1 3.99Å
69	R	66.1	Low	63.4	Low	170 Å²	170	89.7 Å²	89.7	64%	0.642	48%	0.477	S	S	*	.	H	α-helix	trans	-60.9	-43.5	174.7	-87.4	-173.3	-88.1	-166.8	-7.2	112.8	S65 A66 N67 L72 T73	S65-R69 PolarHBondContact O-N 3.23Å; A66-R69 WeakPolarHBondContact O-CB 3.29Å; A66-R69 PolarHBondContact O-N 3.21Å; A66-R69 VanDerWaalsContact O-N 3.14Å; N67-R69 VanDerWaalsContact C-N 3.35Å; N67-R69 PolarHBondContact O-N 3.34Å; R69-L72 PolarHBondContact O-N 3.38Å; R69-T73 WeakPolarHBondContact O-CB 3.29Å; R69-T73 PolarHBondContact O-N 3.02Å; R69-T73 PolarHBondContact O-OG1 3.43Å
70	I	70.2	Confident	62.3	Low	111 Å²	111	94.6 Å²	94.6	57%	0.569	49%	0.492	S	S	*	.	H	α-helix	trans	-61.6	-47	176.9	-67.3	167.2	0	0	0	110.3	A66 N67 L72 T73 S74	A66-I70 WeakPolarHBondContact O-CG1 3.33Å; A66-I70 PolarHBondContact O-N 3.06Å; N67-I70 PolarHBondContact O-N 2.92Å; I70-L72 PolarHBondContact O-N 3.28Å; I70-T73 PolarHBondContact O-N 3.27Å; I70-S74 PolarHBondContact O-N 3.41Å
71	F	63.3	Low	61.8	Low	125 Å²	125	96.2 Å²	96.2	55%	0.548	50%	0.5	S	S	.	.	H	α-helix	trans	-57.1	-50.8	176.9	174.9	-98.8	0	0	0	111.5	N67 L68 T73 S74 Y75	N67-F71 PolarHBondContact O-N 3.44Å; L68-F71 PolarHBondContact O-N 3.44Å; F71-T73 VanDerWaalsContact C-N 3.29Å; F71-T73 PolarHBondContact O-N 3.47Å; F71-S74 PolarHBondContact O-N 3.38Å; F71-S74 PolarHBondContact O-OG 3.03Å; F71-Y75 WeakPolarHBondContact O-CB 3.34Å; F71-Y75 PolarHBondContact O-N 2.96Å
72	L	56.4	Low	60.5	Low	67 Å²	67	100.1 Å²	100.1	35%	0.351	51%	0.514	S	S	.	.	H	α-helix	trans	-59.7	-38.5	177.7	-70.4	170.8	0	0	0	112.3	L68 R69 I70 Y75 N76	L68-L72 HydrophobicContact CG-CD1 4.19Å; L68-L72 VanDerWaalsContact O-CG 3.3Å; L68-L72 WeakPolarHBondContact O-CG 3.35Å; L68-L72 PolarHBondContact O-N 3.17Å; R69-L72 PolarHBondContact O-N 3.38Å; I70-L72 PolarHBondContact O-N 3.28Å; L72-Y75 PolarHBondContact O-N 3.25Å; L72-N76 WeakPolarHBondContact O-CB 3.32Å; L72-N76 VanDerWaalsContact O-CG 3.3Å; L72-N76 PolarHBondContact O-N 2.87Å; L72-N76 PolarHBondContact O-ND2 2.92Å
73	T	70.8	Confident	58.9	Low	97 Å²	97	103.5 Å²	103.5	60%	0.595	53%	0.532	S	S	*	.	H	α-helix	trans	-67.6	-42.9	177.3	-50.3	0	0	0	0	111.3	R69 I70 F71 Y75 N76 A77	R69-T73 WeakPolarHBondContact O-CB 3.29Å; R69-T73 PolarHBondContact O-N 3.02Å; R69-T73 PolarHBondContact O-OG1 3.43Å; I70-T73 PolarHBondContact O-N 3.27Å; F71-T73 VanDerWaalsContact C-N 3.29Å; F71-T73 PolarHBondContact O-N 3.47Å; T73-Y75 VanDerWaalsContact C-N 3.34Å; T73-Y75 PolarHBondContact O-N 3.08Å; T73-N76 PolarHBondContact O-N 3.35Å; T73-A77 PolarHBondContact O-N 2.66Å
74	S	69.4	Low	57.4	Low	64 Å²	64	103.8 Å²	103.8	45%	0.448	54%	0.539	S	S	.	.	H	α-helix	trans	-65.6	-36.5	177.2	75.5	0	0	0	0	112.7	I70 F71 A77 K78	I70-S74 PolarHBondContact O-N 3.41Å; F71-S74 PolarHBondContact O-N 3.38Å; F71-S74 PolarHBondContact O-OG 3.03Å; S74-A77 PolarHBondContact O-N 3.14Å; S74-K78 PolarHBondContact O-N 2.92Å
75	Y	58.3	Low	56.2	Low	124 Å²	124	109 Å²	109	49%	0.486	56%	0.555	S	S	.	*	H	α-helix	trans	-66.9	-46.1	176.3	-173.6	-97.6	0	0	0	111.1	F71 L72 T73 A77 K78 N79	F71-Y75 WeakPolarHBondContact O-CB 3.34Å; F71-Y75 PolarHBondContact O-N 2.96Å; L72-Y75 PolarHBondContact O-N 3.25Å; T73-Y75 VanDerWaalsContact C-N 3.34Å; T73-Y75 PolarHBondContact O-N 3.08Å; Y75-A77 VanDerWaalsContact C-N 3.28Å; Y75-A77 PolarHBondContact O-N 3.25Å; Y75-K78 PolarHBondContact O-N 3.41Å; Y75-N79 VanDerWaalsContact CE1-ND2 3.28Å; Y75-N79 WeakPolarHBondContact CE1-ND2 3.37Å; Y75-N79 PolarHBondContact O-N 3.39Å
76	N	56.6	Low	54.9	Low	100 Å²	100	112.2 Å²	112.2	54%	0.535	57%	0.573	S	S	.	*	H	α-helix	trans	-65.1	-29.5	176.6	-75.5	-26.1	0	0	0	113.4	L72 T73 K80	L72-N76 WeakPolarHBondContact O-CB 3.32Å; L72-N76 VanDerWaalsContact O-CG 3.3Å; L72-N76 PolarHBondContact O-N 2.87Å; L72-N76 PolarHBondContact O-ND2 2.92Å; T73-N76 PolarHBondContact O-N 3.35Å; N76-K80 PolarHBondContact O-N 3.33Å
77	A	63.8	Low	53.7	Low	59 Å²	59	117 Å²	117	49%	0.488	59%	0.593	S	S	.	*	H	α-helix	trans	-68.4	-43.5	175.3	0	0	0	0	0	111.7	T73 S74 Y75 N79 K80	T73-A77 PolarHBondContact O-N 2.66Å; S74-A77 PolarHBondContact O-N 3.14Å; Y75-A77 VanDerWaalsContact C-N 3.28Å; Y75-A77 PolarHBondContact O-N 3.25Å; A77-N79 PolarHBondContact O-N 2.9Å; A77-K80 PolarHBondContact O-N 2.9Å
78	K	52.9	Low	52.7	Low	161 Å²	161	122.9 Å²	122.9	70%	0.7	61%	0.608	S	S	*	*	H	α-helix	trans	-62	-41.3	175.5	-83.5	-174.6	171.7	-175.6	0	112.7	S74 Y75 K80 E81	S74-K78 PolarHBondContact O-N 2.92Å; Y75-K78 PolarHBondContact O-N 3.41Å; K78-K80 PolarHBondContact O-N 3.12Å; K78-E81 PolarHBondContact O-N 3.44Å
79	N	47.5	Very low	52.1	Low	77 Å²	77	124.3 Å²	124.3	41%	0.412	62%	0.62	S	S	.	*	T	Hydrogen-bonded Turn	trans	-70.9	-12.3	179.6	-73.6	-7.9	0	0	0	114.3	Y75 A77	Y75-N79 VanDerWaalsContact CE1-ND2 3.28Å; Y75-N79 WeakPolarHBondContact CE1-ND2 3.37Å; Y75-N79 PolarHBondContact O-N 3.39Å; A77-N79 PolarHBondContact O-N 2.9Å
80	K	50.1	Low	51.7	Low	174 Å²	174	116.7 Å²	116.7	76%	0.757	59%	0.594	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.9	-20.1	172.5	-82.5	-177.1	176.7	180	0	113.2	N76 A77 K78	N76-K80 PolarHBondContact O-N 3.33Å; A77-K80 PolarHBondContact O-N 2.9Å; K78-K80 PolarHBondContact O-N 3.12Å
81	E	49.2	Very low	51.5	Low	176 Å²	176	113 Å²	113	82%	0.822	58%	0.576	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.6	-24.1	180	-70.4	-177.4	169.7	0	0	112.7	K78 N83	K78-E81 PolarHBondContact O-N 3.44Å; E81-N83 PolarHBondContact O-N 2.65Å
82	E	40.7	Very low	52	Low	135 Å²	135	110.3 Å²	110.3	63%	0.631	57%	0.565	S	S	*	*			trans	-98.9	75.5	175.1	-73.7	-179.5	170.9	0	0	111.6	T84	E82-T84 PolarHBondContact O-N 3.01Å
83	N	36.8	Very low	53.1	Low	155 Å²	155	109.1 Å²	109.1	83%	0.829	57%	0.569	S	S	*	*			trans	-81.1	28.3	164.9	-101.4	-15.3	0	0	0	112.3	E81	E81-N83 PolarHBondContact O-N 2.65Å
84	T	35.8	Very low	53.4	Low	99 Å²	99	108.2 Å²	108.2	61%	0.607	56%	0.559	S	S	*	*	S	Bend	trans	-79.9	118.6	165.3	27.4	0	0	0	0	108.1	E82 V86	E82-T84 PolarHBondContact O-N 3.01Å; T84-V86 VanDerWaalsContact C-N 3.31Å; T84-V86 PolarHBondContact O-N 3.28Å
85	I	35.5	Very low	54	Low	151 Å²	151	109.3 Å²	109.3	77%	0.774	57%	0.566	S	S	*	*			trans	-49.1	100.5	164.9	-61.2	168.1	0	0	0	106.3	D87	I85-D87 PolarHBondContact O-N 3.39Å
86	V	39.3	Very low	55.4	Low	101 Å²	101	106.6 Å²	106.6	61%	0.612	56%	0.555	S	S	*	*			trans	-73.5	87.9	172	-178.7	0	0	0	0	105.3	T84 R88	T84-V86 VanDerWaalsContact C-N 3.31Å; T84-V86 PolarHBondContact O-N 3.28Å; V86-R88 PolarHBondContact O-N 3.17Å
87	D	40.4	Very low	56.8	Low	141 Å²	141	102 Å²	102	75%	0.754	53%	0.53	S	S	*	.	S	Bend	trans	-59.7	89.7	161.1	-91.6	-23.5	0	0	0	107.7	I85	I85-D87 PolarHBondContact O-N 3.39Å
88	R	45	Very low	57.8	Low	217 Å²	217	102 Å²	102	82%	0.819	52%	0.522	S	S	*	.	S	Bend	trans	168.5	64.4	154	-90.2	171.4	-142.5	-143.4	7.1	107.7	V86 G90	V86-R88 PolarHBondContact O-N 3.17Å; R88-G90 PolarHBondContact O-N 3.14Å
89	V	47	Very low	59.6	Low	106 Å²	106	99.3 Å²	99.3	64%	0.642	51%	0.514	S	S	*	.			trans	-72.8	121.8	-174.8	-178.8	0	0	0	0	110.3	D168	V89-D168 WeakPolarHBondContact CG1-O 3.19Å
90	G	57.4	Low	61.6	Low	10 Å²	10	96.8 Å²	96.8	10%	0.103	50%	0.499	C	S	.	.	S	Bend	trans	128	-19.2	145.9	0	0	0	0	0	119.1	R88 V170 S173	R88-G90 PolarHBondContact O-N 3.14Å; G90-V170 VanDerWaalsContact O-CA 3.22Å; G90-V170 WeakPolarHBondContact O-CA 3.46Å; G90-S173 WeakPolarHBondContact O-CB 3.43Å
91	I	65.1	Low	63.5	Low	34 Å²	34	90 Å²	90	17%	0.174	47%	0.469	C	S	.	.			trans	-126.4	111.7	176.1	-45.2	-166.6	0	0	0	113.2	S173 Y177 R314 L315	I91-S173 WeakPolarHBondContact CG1-OG 3.46Å; I91-Y177 HydrophobicContact CD1-CD1 4.21Å; I91-Y177 HydrophobicContact CD1-CD2 3.01Å; I91-Y177 HydrophobicContact CD1-CE1 4.38Å; I91-Y177 HydrophobicContact CD1-CE2 3.21Å; I91-Y177 HydrophobicContact CD1-CG 3.49Å; I91-Y177 VanDerWaalsContact CD1-CG 3.49Å; I91-Y177 HydrophobicContact CG1-CD2 4.06Å; I91-Y177 HydrophobicContact CG1-CE2 3.92Å; I91-R314 VanDerWaalsContact CB-NH2 3.29Å; I91-R314 HydrophobicContact CG2-CG 4.46Å; I91-R314 PolarHBondContact O-NH2 3.21Å; I91-L315 HydrophobicContact CD1-CD2 4.07Å
92	H	75.1	Confident	65.4	Low	69 Å²	69	85.8 Å²	85.8	32%	0.319	45%	0.446	S	S	.	.			trans	-67.6	157.6	168.6	-59.1	-71.2	0	0	0	112.8	Y96 R314	H92-Y96 HydrophobicContact CB-CD1 3.22Å; H92-Y96 HydrophobicContact CB-CD2 3.95Å; H92-Y96 HydrophobicContact CB-CE1 3.79Å; H92-Y96 HydrophobicContact CB-CE2 4.41Å; H92-Y96 HydrophobicContact CB-CG 3.31Å; H92-Y96 AromaticContact CD2-CD1 3.66Å; H92-Y96 AromaticContact CD2-CE1 3.2Å; H92-Y96 WeakPolarHBondContact CD2-CE1 3.47Å; H92-Y96 AromaticContact CD2-CE2 3.75Å; H92-Y96 AromaticContact CD2-CZ 3.22Å; H92-Y96 PolarHBondContact CD2-OH 3.02Å; H92-Y96 AromaticContact CG-CD1 3.56Å; H92-Y96 AromaticContact CG-CD2 3.8Å; H92-Y96 AromaticContact CG-CE1 3.62Å; H92-Y96 AromaticContact CG-CE2 3.83Å; H92-Y96 AromaticContact CG-CG 3.65Å; H92-Y96 AromaticContact CG-CZ 3.73Å; H92-Y96 AromaticContact NE2-CE2 3.89Å; H92-Y96 AromaticContact NE2-CZ 3.57Å; H92-Y96 PolarHBondContact NE2-OH 3.42Å; H92-R314 PolarHBondContact O-NE 3.31Å; H92-R314 PolarHBondContact O-NH2 3.44Å
93	G	77.7	Confident	67.9	Low	42 Å²	42	81.1 Å²	81.1	43%	0.433	43%	0.43	S	S	.	.			trans	-64.5	167.6	178.5	0	0	0	0	0	113.6	S95 Y96 E97	G93-S95 VanDerWaalsContact C-N 3.28Å; G93-S95 PolarHBondContact O-N 3.14Å; G93-Y96 WeakPolarHBondContact O-CB 3.44Å; G93-Y96 PolarHBondContact O-N 2.73Å; G93-Y96 VanDerWaalsContact O-N 3.09Å; G93-E97 PolarHBondContact O-N 3.07Å
94	M	78.9	Confident	70.4	Confident	78 Å²	78	74.1 Å²	74.1	38%	0.384	39%	0.392	S	S	.	.	H	α-helix	trans	-53	-42.4	179.3	-176.4	174.3	75.6	0	0	112.9	Y96 E97 I98 T313	M94-Y96 VanDerWaalsContact C-N 3.31Å; M94-Y96 PolarHBondContact O-N 3.02Å; M94-E97 PolarHBondContact O-N 3.24Å; M94-I98 HydrophobicContact CG-CD1 3.79Å; M94-I98 HydrophobicContact CG-CG1 4.38Å; M94-I98 WeakPolarHBondContact O-CG1 3.45Å; M94-I98 PolarHBondContact O-N 3.1Å; M94-T313 HydrophobicContact CG-CG2 4.18Å; M94-T313 HydrophobicContact SD-CG2 4.08Å
95	S	81.2	Confident	73	Confident	86 Å²	86	72.1 Å²	72.1	60%	0.601	38%	0.376	S	S	*	.	H	α-helix	trans	-60.2	-39.3	179.1	-50.2	0	0	0	0	112.9	G93 L99	G93-S95 VanDerWaalsContact C-N 3.28Å; G93-S95 PolarHBondContact O-N 3.14Å; S95-L99 WeakPolarHBondContact O-CB 3.45Å; S95-L99 VanDerWaalsContact O-CG 3.28Å; S95-L99 WeakPolarHBondContact O-CG 2.89Å; S95-L99 PolarHBondContact O-N 3.3Å
96	Y	86.4	Confident	75.6	Confident	68 Å²	68	68.2 Å²	68.2	27%	0.267	35%	0.352	S	S	.	.	H	α-helix	trans	-62.9	-47.5	176.5	171	-81	0	0	0	110.7	H92 G93 M94 I98 L99 R100 I164	H92-Y96 HydrophobicContact CB-CD1 3.22Å; H92-Y96 HydrophobicContact CB-CD2 3.95Å; H92-Y96 HydrophobicContact CB-CE1 3.79Å; H92-Y96 HydrophobicContact CB-CE2 4.41Å; H92-Y96 HydrophobicContact CB-CG 3.31Å; H92-Y96 AromaticContact CD2-CD1 3.66Å; H92-Y96 AromaticContact CD2-CE1 3.2Å; H92-Y96 WeakPolarHBondContact CD2-CE1 3.47Å; H92-Y96 AromaticContact CD2-CE2 3.75Å; H92-Y96 AromaticContact CD2-CZ 3.22Å; H92-Y96 PolarHBondContact CD2-OH 3.02Å; H92-Y96 AromaticContact CG-CD1 3.56Å; H92-Y96 AromaticContact CG-CD2 3.8Å; H92-Y96 AromaticContact CG-CE1 3.62Å; H92-Y96 AromaticContact CG-CE2 3.83Å; H92-Y96 AromaticContact CG-CG 3.65Å; H92-Y96 AromaticContact CG-CZ 3.73Å; H92-Y96 AromaticContact NE2-CE2 3.89Å; H92-Y96 AromaticContact NE2-CZ 3.57Å; H92-Y96 PolarHBondContact NE2-OH 3.42Å; G93-Y96 WeakPolarHBondContact O-CB 3.44Å; G93-Y96 PolarHBondContact O-N 2.73Å; G93-Y96 VanDerWaalsContact O-N 3.09Å; M94-Y96 VanDerWaalsContact C-N 3.31Å; M94-Y96 PolarHBondContact O-N 3.02Å; Y96-I98 VanDerWaalsContact C-N 3.35Å; Y96-I98 PolarHBondContact O-N 3.45Å; Y96-L99 PolarHBondContact O-N 2.98Å; Y96-R100 HydrophobicContact CE1-CB 4.36Å; Y96-R100 VanDerWaalsContact O-CB 3.31Å; Y96-R100 WeakPolarHBondContact O-CB 3.29Å; Y96-R100 PolarHBondContact O-N 3.21Å; Y96-I164 HydrophobicContact CE2-CG2 4.49Å; Y96-I164 WeakPolarHBondContact OH-CG2 3.35Å; Y96-I164 PolarHBondContact OH-O 2.78Å; Y96-I164 VanDerWaalsContact OH-O 3.05Å
97	E	87.3	Confident	77.9	Confident	2 Å²	2	63.5 Å²	63.5	1%	0.009	32%	0.323	C	S	.	.	H	α-helix	trans	-66.1	-37.6	-178.6	-71.8	-66.5	167.3	0	0	112	G93 M94 R100 R101 R174 R314	G93-E97 PolarHBondContact O-N 3.07Å; M94-E97 PolarHBondContact O-N 3.24Å; E97-R100 IonicContact OE2-CZ 3.91Å; E97-R100 IonicContact OE2-NE 3.63Å; E97-R100 PolarHBondContact OE2-NE 2.93Å; E97-R100 IonicContact OE2-NH2 3.61Å; E97-R100 PolarHBondContact OE2-NH2 3.3Å; E97-R101 WeakPolarHBondContact O-CB 3.43Å; E97-R101 VanDerWaalsContact O-CG 3.31Å; E97-R101 WeakPolarHBondContact O-CG 3.44Å; E97-R101 PolarHBondContact O-N 3.4Å; E97-R174 IonicContact OE1-CZ 3.29Å; E97-R174 IonicContact OE1-NE 3.75Å; E97-R174 IonicContact OE1-NH2 2.65Å; E97-R174 PolarHBondContact OE1-NH2 2.87Å; E97-R174 IonicContact OE2-NH2 3.66Å; E97-R314 HydrophobicContact CG-CG 4.48Å; E97-R314 WeakPolarHBondContact CG-O 3.39Å
98	I	85.1	Confident	80.2	Confident	60 Å²	60	58.2 Å²	58.2	31%	0.308	29%	0.293	S	S	.	.	H	α-helix	trans	-60.4	-49.5	173.3	-69.6	169	0	0	0	110.6	M94 Y96 R102 T313	M94-I98 HydrophobicContact CG-CD1 3.79Å; M94-I98 HydrophobicContact CG-CG1 4.38Å; M94-I98 WeakPolarHBondContact O-CG1 3.45Å; M94-I98 PolarHBondContact O-N 3.1Å; Y96-I98 VanDerWaalsContact C-N 3.35Å; Y96-I98 PolarHBondContact O-N 3.45Å; I98-R102 VanDerWaalsContact O-CB 3.32Å; I98-R102 WeakPolarHBondContact O-CB 3.39Å; I98-R102 PolarHBondContact O-N 3.36Å; I98-T313 HydrophobicContact CD1-CG2 4.49Å
99	L	89.6	Confident	82.3	Confident	104 Å²	104	48.1 Å²	48.1	55%	0.545	26%	0.255	S	S	.	.	H	α-helix	trans	-67.3	-40.6	-178.9	-68.6	176.5	0	0	0	112	S95 Y96 R102 A103	S95-L99 WeakPolarHBondContact O-CB 3.45Å; S95-L99 VanDerWaalsContact O-CG 3.28Å; S95-L99 WeakPolarHBondContact O-CG 2.89Å; S95-L99 PolarHBondContact O-N 3.3Å; Y96-L99 PolarHBondContact O-N 2.98Å; L99-R102 PolarHBondContact O-N 3.37Å; L99-A103 WeakPolarHBondContact O-CB 3.26Å; L99-A103 PolarHBondContact O-N 2.91Å
100	R	89.8	Confident	84.2	Confident	24 Å²	24	46.5 Å²	46.5	9%	0.091	24%	0.242	C	C	.	.	H	α-helix	trans	-61.4	-50	176.9	-173	-169.1	69	83.1	0.8	111.4	Y96 E97 R102 A103 L104 I161 I164	Y96-R100 HydrophobicContact CE1-CB 4.36Å; Y96-R100 VanDerWaalsContact O-CB 3.31Å; Y96-R100 WeakPolarHBondContact O-CB 3.29Å; Y96-R100 PolarHBondContact O-N 3.21Å; E97-R100 IonicContact OE2-CZ 3.91Å; E97-R100 IonicContact OE2-NE 3.63Å; E97-R100 PolarHBondContact OE2-NE 2.93Å; E97-R100 IonicContact OE2-NH2 3.61Å; E97-R100 PolarHBondContact OE2-NH2 3.3Å; R100-R102 VanDerWaalsContact C-N 3.32Å; R100-R102 PolarHBondContact O-N 3.03Å; R100-A103 PolarHBondContact O-N 2.97Å; R100-L104 PolarHBondContact O-N 2.68Å; R100-I161 HydrophobicContact CG-CG2 4.27Å; R100-I164 HydrophobicContact CG-CG2 4.39Å
101	R	90	Very high	85.6	Confident	33 Å²	33	49 Å²	49	13%	0.125	25%	0.25	C	S	.	.	H	α-helix	trans	-64.4	-36.6	178.2	-70	-176.7	-170.6	118.6	5.4	112	E97 L104 Q105 T313 R314 L315 H316 G317 D507	E97-R101 WeakPolarHBondContact O-CB 3.43Å; E97-R101 VanDerWaalsContact O-CG 3.31Å; E97-R101 WeakPolarHBondContact O-CG 3.44Å; E97-R101 PolarHBondContact O-N 3.4Å; R101-L104 WeakPolarHBondContact O-CB 3.45Å; R101-L104 PolarHBondContact O-N 2.64Å; R101-Q105 PolarHBondContact O-N 3.47Å; R101-T313 PolarHBondContact NH1-O 2.86Å; R101-R314 PolarHBondContact NH2-O 3.44Å; R101-L315 PolarHBondContact NH2-O 3.21Å; R101-H316 VanDerWaalsContact CZ-C 3.42Å; R101-H316 PolarHBondContact NH1-O 3.14Å; R101-H316 VanDerWaalsContact NH2-C 3.28Å; R101-H316 VanDerWaalsContact NH2-N 3.13Å; R101-G317 VanDerWaalsContact NE-CA 3.29Å; R101-D507 IonicContact CZ-OD2 2.72Å; R101-D507 IonicContact NE-OD2 3.22Å; R101-D507 PolarHBondContact NE-OD2 3.13Å; R101-D507 IonicContact NH2-OD2 3.36Å; R101-D507 PolarHBondContact NH2-OD2 3.41Å; R101-D507 VanDerWaalsContact NH2-OD2 3.15Å
102	R	90.2	Very high	86.6	Confident	87 Å²	87	48.2 Å²	48.2	33%	0.328	25%	0.245	S	C	.	.	H	α-helix	trans	-63.5	-45.5	173.7	-174.9	-176.6	-62.3	169.5	0.4	111.7	I98 L99 R100 L104 Q105 Y106	I98-R102 VanDerWaalsContact O-CB 3.32Å; I98-R102 WeakPolarHBondContact O-CB 3.39Å; I98-R102 PolarHBondContact O-N 3.36Å; L99-R102 PolarHBondContact O-N 3.37Å; R100-R102 VanDerWaalsContact C-N 3.32Å; R100-R102 PolarHBondContact O-N 3.03Å; R102-L104 VanDerWaalsContact C-N 3.28Å; R102-L104 PolarHBondContact O-N 3.24Å; R102-Q105 WeakPolarHBondContact O-CB 3.25Å; R102-Q105 PolarHBondContact O-N 3Å; R102-Y106 WeakPolarHBondContact CD-OH 3.33Å; R102-Y106 HydrophobicContact CG-CD1 4.46Å; R102-Y106 HydrophobicContact CG-CD2 4.39Å; R102-Y106 HydrophobicContact CG-CE1 3.88Å; R102-Y106 HydrophobicContact CG-CE2 3.81Å; R102-Y106 WeakPolarHBondContact O-CD1 3.37Å; R102-Y106 PolarHBondContact O-N 3.41Å
103	A	91.7	Very high	87.2	Confident	36 Å²	36	46.6 Å²	46.6	30%	0.298	24%	0.242	S	C	.	.	H	α-helix	trans	-60.7	-40.6	175.7	0	0	0	0	0	111.3	L99 R100 Y106 A107 I161	L99-A103 WeakPolarHBondContact O-CB 3.26Å; L99-A103 PolarHBondContact O-N 2.91Å; R100-A103 PolarHBondContact O-N 2.97Å; A103-Y106 PolarHBondContact O-N 2.95Å; A103-A107 PolarHBondContact O-N 3.22Å; A103-I161 HydrophobicContact CB-CD1 3.9Å; A103-I161 HydrophobicContact CB-CG1 4.47Å; A103-I161 HydrophobicContact CB-CG2 4.19Å
104	L	90.5	Very high	87.7	Confident	9 Å²	9	45.2 Å²	45.2	5%	0.047	22%	0.224	C	C	.	.	H	α-helix	trans	-61	-45.1	175.3	-176.2	63.7	0	0	0	111.5	R100 R101 R102 Y106 A107 R108 H158 I161 Q510	R100-L104 PolarHBondContact O-N 2.68Å; R101-L104 WeakPolarHBondContact O-CB 3.45Å; R101-L104 PolarHBondContact O-N 2.64Å; R102-L104 VanDerWaalsContact C-N 3.28Å; R102-L104 PolarHBondContact O-N 3.24Å; L104-Y106 VanDerWaalsContact C-N 3.32Å; L104-Y106 PolarHBondContact O-N 3.33Å; L104-A107 PolarHBondContact O-N 2.94Å; L104-R108 PolarHBondContact O-N 3.14Å; L104-H158 WeakPolarHBondContact CD1-CD2 3.46Å; L104-I161 HydrophobicContact CB-CG2 3.81Å; L104-I161 HydrophobicContact CD1-CG2 4.24Å; L104-Q510 HydrophobicContact CD2-CG 4.3Å
105	Q	89.2	Confident	88	Confident	57 Å²	57	44.9 Å²	44.9	27%	0.266	23%	0.226	S	C	.	.	H	α-helix	trans	-60.4	-43.2	174.8	-174.7	61.8	25.7	0	0	111	R101 R102 A107 R108 E109	R101-Q105 PolarHBondContact O-N 3.47Å; R102-Q105 WeakPolarHBondContact O-CB 3.25Å; R102-Q105 PolarHBondContact O-N 3Å; Q105-A107 PolarHBondContact O-N 3.49Å; Q105-R108 WeakPolarHBondContact O-CB 3.28Å; Q105-R108 PolarHBondContact O-N 2.86Å; Q105-R108 VanDerWaalsContact O-N 3.15Å; Q105-E109 HydrophobicContact CG-CG 4.22Å; Q105-E109 PolarHBondContact NE2-OE1 2.66Å; Q105-E109 WeakPolarHBondContact O-CG 3.4Å; Q105-E109 PolarHBondContact O-N 2.84Å
106	Y	90.4	Very high	88.1	Confident	69 Å²	69	44 Å²	44	27%	0.271	21%	0.212	S	C	.	.	H	α-helix	trans	-63.3	-40.7	178.5	-67	-8.5	0	0	0	112.5	R102 A103 L104 R108 E109 I110 I532 I533 F573	R102-Y106 WeakPolarHBondContact CD-OH 3.33Å; R102-Y106 HydrophobicContact CG-CD1 4.46Å; R102-Y106 HydrophobicContact CG-CD2 4.39Å; R102-Y106 HydrophobicContact CG-CE1 3.88Å; R102-Y106 HydrophobicContact CG-CE2 3.81Å; R102-Y106 WeakPolarHBondContact O-CD1 3.37Å; R102-Y106 PolarHBondContact O-N 3.41Å; A103-Y106 PolarHBondContact O-N 2.95Å; L104-Y106 VanDerWaalsContact C-N 3.32Å; L104-Y106 PolarHBondContact O-N 3.33Å; Y106-R108 VanDerWaalsContact C-N 3.25Å; Y106-R108 PolarHBondContact O-N 3.33Å; Y106-E109 PolarHBondContact O-N 2.96Å; Y106-I110 WeakPolarHBondContact O-CG1 3.32Å; Y106-I110 PolarHBondContact O-N 2.91Å; Y106-I532 WeakPolarHBondContact OH-CD1 3.49Å; Y106-I533 WeakPolarHBondContact OH-CD1 3.28Å; Y106-F573 HydrophobicContact CD1-CB 3.84Å; Y106-F573 HydrophobicContact CE1-CB 3.83Å; Y106-F573 HydrophobicContact CE1-CD2 4.25Å; Y106-F573 VanDerWaalsContact CE1-O 3.31Å; Y106-F573 WeakPolarHBondContact CE1-O 3.47Å
107	A	88.8	Confident	88.1	Confident	1 Å²	1	42.6 Å²	42.6	1%	0.008	21%	0.209	C	C	.	.	H	α-helix	trans	-58.5	-39.2	174.3	0	0	0	0	0	112	A103 L104 Q105 S154 L157 H158 I161	A103-A107 PolarHBondContact O-N 3.22Å; L104-A107 PolarHBondContact O-N 2.94Å; Q105-A107 PolarHBondContact O-N 3.49Å; A107-S154 PolarHBondContact O-OG 3.41Å; A107-L157 HydrophobicContact CB-CD2 4.21Å; A107-L157 HydrophobicContact CB-CG 4.18Å; A107-H158 HydrophobicContact CB-CB 4.22Å; A107-I161 HydrophobicContact CB-CD1 4.14Å
108	R	87.9	Confident	88.1	Confident	31 Å²	31	45.2 Å²	45.2	12%	0.117	22%	0.224	C	C	.	.	H	α-helix	trans	-70.9	-42.2	175.2	-66.8	174.8	176.9	-154.8	-9.1	112.7	L104 Q105 Y106 I110 K111 Y112 H158 Q510	L104-R108 PolarHBondContact O-N 3.14Å; Q105-R108 WeakPolarHBondContact O-CB 3.28Å; Q105-R108 PolarHBondContact O-N 2.86Å; Q105-R108 VanDerWaalsContact O-N 3.15Å; Y106-R108 VanDerWaalsContact C-N 3.25Å; Y106-R108 PolarHBondContact O-N 3.33Å; R108-I110 VanDerWaalsContact C-N 3.26Å; R108-I110 PolarHBondContact O-N 2.87Å; R108-K111 VanDerWaalsContact O-CB 3.3Å; R108-K111 WeakPolarHBondContact O-CB 3.44Å; R108-K111 PolarHBondContact O-N 3.25Å; R108-K111 VanDerWaalsContact O-N 3.08Å; R108-Y112 HydrophobicContact CB-CE2 4.11Å; R108-Y112 VanDerWaalsContact O-CD2 3.26Å; R108-Y112 WeakPolarHBondContact O-CD2 3.26Å; R108-Y112 PolarHBondContact O-N 3.28Å; R108-Y112 VanDerWaalsContact O-N 3.14Å; R108-H158 PolarHBondContact NE-CE1 2.73Å; R108-H158 PolarHBondContact NE-NE2 2.8Å; R108-Q510 PolarHBondContact NH1-O 2.91Å; R108-Q510 PolarHBondContact NH2-O 3.02Å
109	E	88.2	Confident	88.1	Confident	4 Å²	4	45.1 Å²	45.1	2%	0.019	23%	0.228	C	C	.	.	H	α-helix	trans	-65.6	-28.3	177.9	-69.9	-62	157.3	0	0	112.7	Q105 Y106 Y112 S113 N551 F573	Q105-E109 HydrophobicContact CG-CG 4.22Å; Q105-E109 PolarHBondContact NE2-OE1 2.66Å; Q105-E109 WeakPolarHBondContact O-CG 3.4Å; Q105-E109 PolarHBondContact O-N 2.84Å; Y106-E109 PolarHBondContact O-N 2.96Å; E109-Y112 PolarHBondContact O-N 3.07Å; E109-S113 VanDerWaalsContact O-CB 3.32Å; E109-S113 WeakPolarHBondContact O-CB 3.45Å; E109-S113 PolarHBondContact O-N 3.02Å; E109-S113 PolarHBondContact O-OG 3.27Å; E109-N551 PolarHBondContact OE1-ND2 3.24Å; E109-F573 HydrophobicContact CB-CB 4.06Å; E109-F573 HydrophobicContact CG-CB 3.97Å
110	I	88.7	Confident	87.8	Confident	72 Å²	72	42.4 Å²	42.4	37%	0.369	22%	0.216	S	C	.	.	H	α-helix	trans	-58.9	-52.4	168.2	-68.4	165	0	0	0	109.5	Y106 R108 Y112 S113 L114 L157	Y106-I110 WeakPolarHBondContact O-CG1 3.32Å; Y106-I110 PolarHBondContact O-N 2.91Å; R108-I110 VanDerWaalsContact C-N 3.26Å; R108-I110 PolarHBondContact O-N 2.87Å; I110-Y112 VanDerWaalsContact C-N 3.27Å; I110-Y112 PolarHBondContact O-N 3.25Å; I110-S113 PolarHBondContact O-N 2.8Å; I110-S113 VanDerWaalsContact O-N 3.08Å; I110-L114 HydrophobicContact CG2-CD1 4.22Å; I110-L114 HydrophobicContact CG2-CG 4.44Å; I110-L114 VanDerWaalsContact O-CG 3.31Å; I110-L114 WeakPolarHBondContact O-CG 3.38Å; I110-L114 PolarHBondContact O-N 2.74Å; I110-L157 HydrophobicContact CD1-CD2 4.41Å
111	K	86.5	Confident	87.5	Confident	64 Å²	64	41.7 Å²	41.7	28%	0.278	21%	0.214	S	C	.	.	H	α-helix	trans	-51.8	-46.5	177	177.9	-165.3	166.1	-164.6	0	111.3	R108 L114 E379 S382	R108-K111 VanDerWaalsContact O-CB 3.3Å; R108-K111 WeakPolarHBondContact O-CB 3.44Å; R108-K111 PolarHBondContact O-N 3.25Å; R108-K111 VanDerWaalsContact O-N 3.08Å; K111-L114 PolarHBondContact O-N 2.88Å; K111-E379 IonicContact NZ-OE2 2.68Å; K111-E379 PolarHBondContact NZ-OE2 3.05Å; K111-S382 WeakPolarHBondContact CE-OG 3.5Å; K111-S382 PolarHBondContact NZ-OG 2.82Å
112	Y	85.9	Confident	87.3	Confident	17 Å²	17	45 Å²	45	7%	0.067	23%	0.231	C	C	.	.	H	α-helix	trans	-68.4	-37.2	-179.8	-58.3	-44.3	0	0	0	113	R108 E109 I110 L114 V115 R513 W553 N554	R108-Y112 HydrophobicContact CB-CE2 4.11Å; R108-Y112 VanDerWaalsContact O-CD2 3.26Å; R108-Y112 WeakPolarHBondContact O-CD2 3.26Å; R108-Y112 PolarHBondContact O-N 3.28Å; R108-Y112 VanDerWaalsContact O-N 3.14Å; E109-Y112 PolarHBondContact O-N 3.07Å; I110-Y112 VanDerWaalsContact C-N 3.27Å; I110-Y112 PolarHBondContact O-N 3.25Å; Y112-L114 VanDerWaalsContact C-N 3.27Å; Y112-L114 PolarHBondContact O-N 3.42Å; Y112-V115 WeakPolarHBondContact O-CB 3.5Å; Y112-V115 WeakPolarHBondContact O-CG2 3.4Å; Y112-V115 PolarHBondContact O-N 3.27Å; Y112-R513 VanDerWaalsContact CE1-NH1 3.26Å; Y112-R513 PolarHBondContact OH-NH1 3.08Å; Y112-R513 VanDerWaalsContact OH-NH1 3.07Å; Y112-W553 HydrophobicContact CD2-CE3 4.42Å; Y112-W553 HydrophobicContact CE2-CE3 4.09Å; Y112-W553 HydrophobicContact CE2-CZ3 4.28Å; Y112-N554 CarbonylContact O-C 3.35Å; Y112-N554 VanDerWaalsContact O-C 3.23Å; Y112-N554 WeakPolarHBondContact O-CA 3.4Å
113	S	87.6	Confident	86.9	Confident	35 Å²	35	47.8 Å²	47.8	25%	0.245	25%	0.245	C	C	.	.	H	α-helix	trans	-67.3	-28.6	178.1	-58.1	0	0	0	0	112.3	E109 I110 V115 Q116	E109-S113 VanDerWaalsContact O-CB 3.32Å; E109-S113 WeakPolarHBondContact O-CB 3.45Å; E109-S113 PolarHBondContact O-N 3.02Å; E109-S113 PolarHBondContact O-OG 3.27Å; I110-S113 PolarHBondContact O-N 2.8Å; I110-S113 VanDerWaalsContact O-N 3.08Å; S113-V115 PolarHBondContact O-N 3.4Å; S113-Q116 VanDerWaalsContact O-CB 3.26Å; S113-Q116 WeakPolarHBondContact O-CB 3.37Å; S113-Q116 VanDerWaalsContact O-CG 3.28Å; S113-Q116 WeakPolarHBondContact O-CG 3.49Å; S113-Q116 PolarHBondContact O-N 3.46Å
114	L	88.3	Confident	86.5	Confident	13 Å²	13	47.2 Å²	47.2	7%	0.068	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-18.4	178.5	-67.6	172.2	0	0	0	113.8	I110 K111 Y112 Q116 L117 K147 L150 Q151	I110-L114 HydrophobicContact CG2-CD1 4.22Å; I110-L114 HydrophobicContact CG2-CG 4.44Å; I110-L114 VanDerWaalsContact O-CG 3.31Å; I110-L114 WeakPolarHBondContact O-CG 3.38Å; I110-L114 PolarHBondContact O-N 2.74Å; K111-L114 PolarHBondContact O-N 2.88Å; Y112-L114 VanDerWaalsContact C-N 3.27Å; Y112-L114 PolarHBondContact O-N 3.42Å; L114-Q116 PolarHBondContact O-N 2.97Å; L114-L117 HydrophobicContact CD2-CD1 3.96Å; L114-L117 WeakPolarHBondContact O-CB 3.39Å; L114-L117 PolarHBondContact O-N 2.96Å; L114-L117 VanDerWaalsContact O-N 3.13Å; L114-K147 HydrophobicContact CB-CG 4.48Å; L114-L150 HydrophobicContact CD1-CB 3.64Å; L114-L150 HydrophobicContact CD2-CB 3.52Å; L114-L150 HydrophobicContact CD2-CD1 3.49Å; L114-L150 VanDerWaalsContact CD2-CD1 3.49Å; L114-L150 HydrophobicContact CD2-CG 4.14Å; L114-L150 HydrophobicContact CG-CB 4.24Å; L114-Q151 HydrophobicContact CD1-CB 4.35Å; L114-Q151 HydrophobicContact CD1-CG 3.62Å
115	V	85.5	Confident	86.1	Confident	70 Å²	70	52.5 Å²	52.5	42%	0.424	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-25.6	171.5	179.8	0	0	0	0	111.3	Y112 S113 L117 D118	Y112-V115 WeakPolarHBondContact O-CB 3.5Å; Y112-V115 WeakPolarHBondContact O-CG2 3.4Å; Y112-V115 PolarHBondContact O-N 3.27Å; S113-V115 PolarHBondContact O-N 3.4Å; V115-L117 PolarHBondContact O-N 2.94Å; V115-D118 WeakPolarHBondContact O-CB 3.42Å; V115-D118 PolarHBondContact O-N 2.99Å
116	Q	83.2	Confident	85.9	Confident	67 Å²	67	54.9 Å²	54.9	31%	0.313	28%	0.278	S	S	.	.	H	α-helix	trans	-63.2	-26.1	177.2	-61.7	172.2	34.5	0	0	112.4	S113 L114 D118 S119 V120 N554	S113-Q116 VanDerWaalsContact O-CB 3.26Å; S113-Q116 WeakPolarHBondContact O-CB 3.37Å; S113-Q116 VanDerWaalsContact O-CG 3.28Å; S113-Q116 WeakPolarHBondContact O-CG 3.49Å; S113-Q116 PolarHBondContact O-N 3.46Å; L114-Q116 PolarHBondContact O-N 2.97Å; Q116-D118 VanDerWaalsContact C-N 3.25Å; Q116-D118 PolarHBondContact O-N 3.37Å; Q116-S119 WeakPolarHBondContact O-CB 3.22Å; Q116-S119 PolarHBondContact O-N 2.86Å; Q116-S119 PolarHBondContact O-OG 3.33Å; Q116-V120 PolarHBondContact O-N 2.93Å; Q116-N554 PolarHBondContact NE2-O 3Å
117	L	86.6	Confident	85.6	Confident	39 Å²	39	55 Å²	55	20%	0.204	28%	0.283	C	S	.	.	H	α-helix	trans	-67.9	-25.9	175	-62	179	0	0	0	112.2	L114 V115 S119 V120 N121 V143 K147	L114-L117 HydrophobicContact CD2-CD1 3.96Å; L114-L117 WeakPolarHBondContact O-CB 3.39Å; L114-L117 PolarHBondContact O-N 2.96Å; L114-L117 VanDerWaalsContact O-N 3.13Å; V115-L117 PolarHBondContact O-N 2.94Å; L117-S119 VanDerWaalsContact C-N 3.32Å; L117-V120 WeakPolarHBondContact O-CB 3.41Å; L117-V120 PolarHBondContact O-N 2.97Å; L117-N121 PolarHBondContact O-N 3.49Å; L117-N121 VanDerWaalsContact O-N 3.14Å; L117-V143 HydrophobicContact CB-CG1 4.1Å; L117-V143 HydrophobicContact CD2-CG1 4.46Å; L117-K147 HydrophobicContact CB-CD 4.5Å; L117-K147 HydrophobicContact CD1-CB 3.75Å; L117-K147 HydrophobicContact CD1-CG 4.09Å
118	D	86.6	Confident	85.1	Confident	58 Å²	58	64.7 Å²	64.7	31%	0.31	33%	0.325	S	S	.	.	H	α-helix	trans	-66.7	-37.6	173.4	-62.9	-38.9	0	0	0	111.1	V115 Q116 V120 N121 E122 K147	V115-D118 WeakPolarHBondContact O-CB 3.42Å; V115-D118 PolarHBondContact O-N 2.99Å; Q116-D118 VanDerWaalsContact C-N 3.25Å; Q116-D118 PolarHBondContact O-N 3.37Å; D118-V120 PolarHBondContact O-N 3.39Å; D118-N121 WeakPolarHBondContact O-CB 3.4Å; D118-N121 PolarHBondContact O-N 2.95Å; D118-N121 VanDerWaalsContact O-N 3.12Å; D118-E122 PolarHBondContact O-N 3.49Å; D118-K147 IonicContact OD1-NZ 3.1Å; D118-K147 PolarHBondContact OD1-NZ 3.04Å; D118-K147 IonicContact OD2-NZ 3.55Å; D118-K147 PolarHBondContact OD2-NZ 3.21Å
119	S	84.2	Confident	84.9	Confident	58 Å²	58	65.7 Å²	65.7	41%	0.406	33%	0.332	S	S	.	.	H	α-helix	trans	-63.6	-32.2	175.7	82.2	0	0	0	0	112.6	Q116 L117 K123	Q116-S119 WeakPolarHBondContact O-CB 3.22Å; Q116-S119 PolarHBondContact O-N 2.86Å; Q116-S119 PolarHBondContact O-OG 3.33Å; L117-S119 VanDerWaalsContact C-N 3.32Å; S119-K123 VanDerWaalsContact O-CG 3.32Å; S119-K123 WeakPolarHBondContact O-CG 3.46Å; S119-K123 PolarHBondContact O-N 3.14Å
120	V	83.3	Confident	84.3	Confident	46 Å²	46	75.1 Å²	75.1	28%	0.279	37%	0.369	S	S	.	.	H	α-helix	trans	-67	-45.3	173.7	178.3	0	0	0	0	109.6	Q116 L117 D118 E122 K123 I124	Q116-V120 PolarHBondContact O-N 2.93Å; L117-V120 WeakPolarHBondContact O-CB 3.41Å; L117-V120 PolarHBondContact O-N 2.97Å; D118-V120 PolarHBondContact O-N 3.39Å; V120-E122 VanDerWaalsContact C-N 3.35Å; V120-E122 PolarHBondContact O-N 3.4Å; V120-K123 PolarHBondContact O-N 3.43Å; V120-I124 HydrophobicContact CG1-CD1 4.03Å; V120-I124 WeakPolarHBondContact O-CG1 3.3Å; V120-I124 PolarHBondContact O-N 3.23Å
121	N	84.1	Confident	84.1	Confident	9 Å²	9	75.1 Å²	75.1	5%	0.048	38%	0.376	C	S	.	.	H	α-helix	trans	-61.9	-39.6	176.5	-79.4	-20.1	0	0	0	112.8	L117 D118 I124 K125	L117-N121 PolarHBondContact O-N 3.49Å; L117-N121 VanDerWaalsContact O-N 3.14Å; D118-N121 WeakPolarHBondContact O-CB 3.4Å; D118-N121 PolarHBondContact O-N 2.95Å; D118-N121 VanDerWaalsContact O-N 3.12Å; N121-I124 PolarHBondContact O-N 3.39Å; N121-K125 WeakPolarHBondContact O-CG 3.49Å; N121-K125 PolarHBondContact O-N 3.35Å
122	E	85.5	Confident	83.9	Confident	103 Å²	103	73 Å²	73	48%	0.481	37%	0.367	S	S	.	.	H	α-helix	trans	-65.4	-41.2	174.5	-69.1	-48.5	125.8	0	0	112.1	D118 V120 I124 K125	D118-E122 PolarHBondContact O-N 3.49Å; V120-E122 VanDerWaalsContact C-N 3.35Å; V120-E122 PolarHBondContact O-N 3.4Å; E122-I124 VanDerWaalsContact C-N 3.32Å; E122-I124 PolarHBondContact O-N 3.32Å; E122-K125 WeakPolarHBondContact O-CB 3.41Å; E122-K125 PolarHBondContact O-N 3.18Å; E122-K125 IonicContact OE1-NZ 2.79Å; E122-K125 PolarHBondContact OE1-NZ 3.31Å; E122-K125 IonicContact OE2-NZ 3.51Å; E122-K125 PolarHBondContact OE2-NZ 2.96Å
123	K	83.1	Confident	83.7	Confident	146 Å²	146	76.6 Å²	76.6	64%	0.635	39%	0.387	S	S	*	.	H	α-helix	trans	-63.8	-36.2	174.3	-73.1	173.1	-177.1	177.2	0	112.4	S119 V120 K125 T126	S119-K123 VanDerWaalsContact O-CG 3.32Å; S119-K123 WeakPolarHBondContact O-CG 3.46Å; S119-K123 PolarHBondContact O-N 3.14Å; V120-K123 PolarHBondContact O-N 3.43Å; K123-K125 VanDerWaalsContact C-N 3.29Å; K123-K125 PolarHBondContact O-N 2.86Å; K123-T126 PolarHBondContact O-N 3Å; K123-T126 PolarHBondContact O-OG1 3.39Å
124	I	83.2	Confident	83.5	Confident	23 Å²	23	83.8 Å²	83.8	12%	0.118	41%	0.408	C	S	.	.	H	α-helix	trans	-62.1	-38.7	175.6	-72.7	167.1	0	0	0	110.9	V120 N121 E122 T126 I127 L136 V139	V120-I124 HydrophobicContact CG1-CD1 4.03Å; V120-I124 WeakPolarHBondContact O-CG1 3.3Å; V120-I124 PolarHBondContact O-N 3.23Å; N121-I124 PolarHBondContact O-N 3.39Å; E122-I124 VanDerWaalsContact C-N 3.32Å; E122-I124 PolarHBondContact O-N 3.32Å; I124-T126 PolarHBondContact O-N 2.89Å; I124-I127 PolarHBondContact O-N 2.99Å; I124-L136 HydrophobicContact CG1-CD2 4.48Å; I124-L136 HydrophobicContact CG2-CB 3.95Å; I124-L136 HydrophobicContact CG2-CD2 4.15Å; I124-L136 HydrophobicContact CG2-CG 4.47Å; I124-V139 HydrophobicContact CD1-CG1 3.87Å
125	K	82.1	Confident	83.5	Confident	120 Å²	120	85.6 Å²	85.6	52%	0.522	42%	0.421	S	S	.	.	H	α-helix	trans	-64.8	-24.7	179.6	-69.8	172.6	-175.8	171.2	0	113.7	N121 E122 K123 I127	N121-K125 WeakPolarHBondContact O-CG 3.49Å; N121-K125 PolarHBondContact O-N 3.35Å; E122-K125 WeakPolarHBondContact O-CB 3.41Å; E122-K125 PolarHBondContact O-N 3.18Å; E122-K125 IonicContact OE1-NZ 2.79Å; E122-K125 PolarHBondContact OE1-NZ 3.31Å; E122-K125 IonicContact OE2-NZ 3.51Å; E122-K125 PolarHBondContact OE2-NZ 2.96Å; K123-K125 VanDerWaalsContact C-N 3.29Å; K123-K125 PolarHBondContact O-N 2.86Å; K125-I127 VanDerWaalsContact C-N 3.29Å
126	T	84.5	Confident	83.5	Confident	107 Å²	107	83 Å²	83	66%	0.656	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.4	-11.9	-178.7	66	0	0	0	0	113.1	K123 I124 K128	K123-T126 PolarHBondContact O-N 3Å; K123-T126 PolarHBondContact O-OG1 3.39Å; I124-T126 PolarHBondContact O-N 2.89Å; T126-K128 PolarHBondContact O-N 2.85Å
127	I	83.1	Confident	83.7	Confident	73 Å²	73	87 Å²	87	37%	0.374	42%	0.421	S	S	.	.			trans	-77.9	115.4	-179.7	-56.3	170.3	0	0	0	109.7	I124 K125 N129 L132 L136	I124-I127 PolarHBondContact O-N 2.99Å; K125-I127 VanDerWaalsContact C-N 3.29Å; I127-N129 HydrophobicContact CG2-CB 4.41Å; I127-L132 HydrophobicContact CG2-CD1 4.02Å; I127-L136 HydrophobicContact CB-CD1 3.72Å; I127-L136 HydrophobicContact CD1-CD1 3.91Å; I127-L136 HydrophobicContact CD1-CD2 3.92Å; I127-L136 HydrophobicContact CG1-CD1 4.41Å; I127-L136 HydrophobicContact CG2-CD1 3.62Å
128	K	78.5	Confident	83.7	Confident	203 Å²	203	90 Å²	90	88%	0.883	43%	0.434	S	S	*	.			trans	-98.8	8.9	-176.4	-64	-175.9	-179.5	179.4	0	114.9	T126 Y130	T126-K128 PolarHBondContact O-N 2.85Å; K128-Y130 PolarHBondContact O-N 3.46Å
129	N	83.4	Confident	83.8	Confident	53 Å²	53	88.4 Å²	88.4	28%	0.283	43%	0.426	S	S	.	.			trans	-75.7	117.8	-179.4	-174.4	-16.8	0	0	0	111.4	Q43 I127 S131 L132 I133	Q43-N129 PolarHBondContact OE1-ND2 2.81Å; I127-N129 HydrophobicContact CG2-CB 4.41Å; N129-S131 VanDerWaalsContact C-N 3.3Å; N129-S131 VanDerWaalsContact CG-OG 3.22Å; N129-S131 PolarHBondContact ND2-OG 3.41Å; N129-S131 PolarHBondContact O-N 3.28Å; N129-S131 PolarHBondContact OD1-N 3.07Å; N129-S131 PolarHBondContact OD1-OG 3.15Å; N129-L132 HydrophobicContact CB-CB 4.29Å; N129-L132 HydrophobicContact CB-CD1 4Å; N129-L132 HydrophobicContact CB-CG 4.07Å; N129-L132 PolarHBondContact O-N 3.34Å; N129-I133 PolarHBondContact O-N 3.36Å
130	Y	76.9	Confident	83.9	Confident	201 Å²	201	88.8 Å²	88.8	79%	0.788	42%	0.421	S	S	*	.	G	3₁₀ helix	trans	-58.6	-37.9	-178.4	-160.8	-92	0	0	0	113.4	K128 L132 I133	K128-Y130 PolarHBondContact O-N 3.46Å; Y130-L132 PolarHBondContact O-N 2.95Å; Y130-I133 HydrophobicContact CD2-CD1 3.39Å; Y130-I133 HydrophobicContact CE2-CD1 3.79Å; Y130-I133 HydrophobicContact CG-CD1 3.88Å; Y130-I133 WeakPolarHBondContact O-CB 3.31Å; Y130-I133 WeakPolarHBondContact O-CG1 3.28Å; Y130-I133 PolarHBondContact O-N 2.88Å
131	S	83.9	Confident	84.3	Confident	73 Å²	73	90.4 Å²	90.4	51%	0.51	43%	0.43	S	S	.	.	G	3₁₀ helix	trans	-64.7	-24	178.1	64	0	0	0	0	113.2	N129	N129-S131 VanDerWaalsContact C-N 3.3Å; N129-S131 VanDerWaalsContact CG-OG 3.22Å; N129-S131 PolarHBondContact ND2-OG 3.41Å; N129-S131 PolarHBondContact O-N 3.28Å; N129-S131 PolarHBondContact OD1-N 3.07Å; N129-S131 PolarHBondContact OD1-OG 3.15Å
132	L	83.3	Confident	84.5	Confident	19 Å²	19	92.6 Å²	92.6	10%	0.099	45%	0.446	C	S	.	.	G	3₁₀ helix	trans	-93.1	-8.4	179.8	-62.3	-178.2	0	0	0	113.3	Q43 I127 N129 Y130 R134 P135 L136	Q43-L132 HydrophobicContact CB-CD1 4.18Å; I127-L132 HydrophobicContact CG2-CD1 4.02Å; N129-L132 HydrophobicContact CB-CB 4.29Å; N129-L132 HydrophobicContact CB-CD1 4Å; N129-L132 HydrophobicContact CB-CG 4.07Å; N129-L132 PolarHBondContact O-N 3.34Å; Y130-L132 PolarHBondContact O-N 2.95Å; L132-R134 VanDerWaalsContact C-N 3.34Å; L132-R134 PolarHBondContact O-N 3.24Å; L132-P135 WeakPolarHBondContact O-CD 3.39Å; L132-L136 HydrophobicContact CB-CD1 3.64Å; L132-L136 HydrophobicContact CB-CG 3.97Å; L132-L136 WeakPolarHBondContact O-CB 3.32Å; L132-L136 WeakPolarHBondContact O-CG 3.46Å; L132-L136 PolarHBondContact O-N 2.87Å
133	I	81.8	Confident	84.6	Confident	92 Å²	92	87.8 Å²	87.8	47%	0.472	42%	0.424	S	S	.	.	H	α-helix	trans	-54.6	-48.5	-173.7	-71.6	174.4	0	0	0	111.8	N129 Y130 K137	N129-I133 PolarHBondContact O-N 3.36Å; Y130-I133 HydrophobicContact CD2-CD1 3.39Å; Y130-I133 HydrophobicContact CE2-CD1 3.79Å; Y130-I133 HydrophobicContact CG-CD1 3.88Å; Y130-I133 WeakPolarHBondContact O-CB 3.31Å; Y130-I133 WeakPolarHBondContact O-CG1 3.28Å; Y130-I133 PolarHBondContact O-N 2.88Å; I133-K137 WeakPolarHBondContact O-CB 3.18Å; I133-K137 PolarHBondContact O-N 2.75Å
134	R	83	Confident	85	Confident	186 Å²	186	85 Å²	85	70%	0.702	41%	0.413	S	S	*	.	H	α-helix	trans	-69.1	-53	-178.7	176	-179.7	178.9	176.3	3.6	112.1	L132 L136 K137 E138	L132-R134 VanDerWaalsContact C-N 3.34Å; L132-R134 PolarHBondContact O-N 3.24Å; R134-L136 VanDerWaalsContact C-N 3.3Å; R134-L136 PolarHBondContact O-N 3.4Å; R134-K137 WeakPolarHBondContact O-CB 3.46Å; R134-K137 PolarHBondContact O-N 2.85Å; R134-K137 VanDerWaalsContact O-N 3.13Å; R134-E138 IonicContact CZ-OE1 3.95Å; R134-E138 IonicContact NE-OE1 2.81Å; R134-E138 PolarHBondContact NE-OE1 3.36Å; R134-E138 VanDerWaalsContact NE-OE1 3.11Å; R134-E138 IonicContact NH2-OE1 2.96Å; R134-E138 PolarHBondContact O-N 2.88Å; R134-E138 VanDerWaalsContact O-N 3.07Å
135	P	87.2	Confident	85.4	Confident	51 Å²	51	89.1 Å²	89.1	33%	0.331	43%	0.432	S	S	.	.	H	α-helix	trans	-53.8	-43.3	174.6	-28	33.8	0	0	0	113.5	L132 K137 E138 V139	L132-P135 WeakPolarHBondContact O-CD 3.39Å; P135-K137 VanDerWaalsContact C-N 3.33Å; P135-K137 PolarHBondContact O-N 3.38Å; P135-E138 PolarHBondContact O-N 3.42Å; P135-V139 WeakPolarHBondContact O-CG2 3.46Å; P135-V139 PolarHBondContact O-N 2.96Å
136	L	86.4	Confident	85.7	Confident	16 Å²	16	84.4 Å²	84.4	8%	0.084	41%	0.413	C	S	.	.	H	α-helix	trans	-67.4	-33.6	179.8	-70.7	173.7	0	0	0	112.6	I124 I127 L132 R134 K140	I124-L136 HydrophobicContact CG1-CD2 4.48Å; I124-L136 HydrophobicContact CG2-CB 3.95Å; I124-L136 HydrophobicContact CG2-CD2 4.15Å; I124-L136 HydrophobicContact CG2-CG 4.47Å; I127-L136 HydrophobicContact CB-CD1 3.72Å; I127-L136 HydrophobicContact CD1-CD1 3.91Å; I127-L136 HydrophobicContact CD1-CD2 3.92Å; I127-L136 HydrophobicContact CG1-CD1 4.41Å; I127-L136 HydrophobicContact CG2-CD1 3.62Å; L132-L136 HydrophobicContact CB-CD1 3.64Å; L132-L136 HydrophobicContact CB-CG 3.97Å; L132-L136 WeakPolarHBondContact O-CB 3.32Å; L132-L136 WeakPolarHBondContact O-CG 3.46Å; L132-L136 PolarHBondContact O-N 2.87Å; R134-L136 VanDerWaalsContact C-N 3.3Å; R134-L136 PolarHBondContact O-N 3.4Å; L136-K140 VanDerWaalsContact O-CB 3.29Å; L136-K140 WeakPolarHBondContact O-CB 3.3Å; L136-K140 PolarHBondContact O-N 2.85Å
137	K	86.5	Confident	85.9	Confident	152 Å²	152	81 Å²	81	66%	0.661	39%	0.388	S	S	*	.	H	α-helix	trans	-64.9	-42.1	172.4	-171.5	177.5	179.6	-178.8	0	111.2	I133 R134 P135 K140 V141	I133-K137 WeakPolarHBondContact O-CB 3.18Å; I133-K137 PolarHBondContact O-N 2.75Å; R134-K137 WeakPolarHBondContact O-CB 3.46Å; R134-K137 PolarHBondContact O-N 2.85Å; R134-K137 VanDerWaalsContact O-N 3.13Å; P135-K137 VanDerWaalsContact C-N 3.33Å; P135-K137 PolarHBondContact O-N 3.38Å; K137-K140 PolarHBondContact O-N 3.14Å; K137-V141 WeakPolarHBondContact O-CG2 3.39Å; K137-V141 PolarHBondContact O-N 2.85Å; K137-V141 VanDerWaalsContact O-N 3.09Å
138	E	88	Confident	86.3	Confident	101 Å²	101	80.2 Å²	80.2	47%	0.472	39%	0.39	S	S	.	.	H	α-helix	trans	-65.9	-42.9	176.7	-68.6	171	-170	0	0	111.6	R134 P135 V141 S142	R134-E138 IonicContact CZ-OE1 3.95Å; R134-E138 IonicContact NE-OE1 2.81Å; R134-E138 PolarHBondContact NE-OE1 3.36Å; R134-E138 VanDerWaalsContact NE-OE1 3.11Å; R134-E138 IonicContact NH2-OE1 2.96Å; R134-E138 PolarHBondContact O-N 2.88Å; R134-E138 VanDerWaalsContact O-N 3.07Å; P135-E138 PolarHBondContact O-N 3.42Å; E138-V141 PolarHBondContact O-N 3.07Å; E138-S142 PolarHBondContact O-N 3.08Å; E138-S142 PolarHBondContact O-OG 3.06Å
139	V	87.8	Confident	87	Confident	24 Å²	24	74.4 Å²	74.4	15%	0.145	37%	0.366	C	S	.	.	H	α-helix	trans	-60.5	-46.7	173.4	172.1	0	0	0	0	111.1	I124 P135 V141 S142 V143	I124-V139 HydrophobicContact CD1-CG1 3.87Å; P135-V139 WeakPolarHBondContact O-CG2 3.46Å; P135-V139 PolarHBondContact O-N 2.96Å; V139-V141 PolarHBondContact O-N 3.37Å; V139-S142 WeakPolarHBondContact O-CB 3.48Å; V139-S142 PolarHBondContact O-N 2.87Å; V139-S142 VanDerWaalsContact O-N 3.12Å; V139-V143 HydrophobicContact CG1-CG2 4.22Å; V139-V143 WeakPolarHBondContact O-CG2 3.28Å; V139-V143 PolarHBondContact O-N 2.75Å
140	K	87.1	Confident	87.3	Confident	66 Å²	66	73.2 Å²	73.2	29%	0.287	36%	0.359	S	S	.	.	H	α-helix	trans	-56.7	-49	177.8	-179.4	-176.4	170.3	-171.6	0	111.4	L136 K137 S142 V143 E144	L136-K140 VanDerWaalsContact O-CB 3.29Å; L136-K140 WeakPolarHBondContact O-CB 3.3Å; L136-K140 PolarHBondContact O-N 2.85Å; K137-K140 PolarHBondContact O-N 3.14Å; K140-S142 VanDerWaalsContact C-N 3.29Å; K140-S142 PolarHBondContact O-N 2.84Å; K140-V143 PolarHBondContact O-N 2.76Å; K140-E144 WeakPolarHBondContact CE-OE1 3.43Å; K140-E144 IonicContact NZ-OE1 2.6Å; K140-E144 WeakPolarHBondContact O-CG 3.46Å; K140-E144 PolarHBondContact O-N 3.39Å
141	V	90.1	Very high	88	Confident	80 Å²	80	67.4 Å²	67.4	49%	0.485	34%	0.339	S	S	.	.	H	α-helix	trans	-59.3	-42.1	176.7	171.4	0	0	0	0	111	K137 E138 V139 E144 Q145	K137-V141 WeakPolarHBondContact O-CG2 3.39Å; K137-V141 PolarHBondContact O-N 2.85Å; K137-V141 VanDerWaalsContact O-N 3.09Å; E138-V141 PolarHBondContact O-N 3.07Å; V139-V141 PolarHBondContact O-N 3.37Å; V141-E144 PolarHBondContact O-N 3.49Å; V141-Q145 WeakPolarHBondContact O-CB 3.42Å; V141-Q145 PolarHBondContact O-N 3.33Å
142	S	89.4	Confident	88.3	Confident	55 Å²	55	68 Å²	68	39%	0.385	34%	0.337	S	S	.	.	H	α-helix	trans	-64.4	-40.3	178.4	-56.1	0	0	0	0	112.5	E138 V139 K140 L146	E138-S142 PolarHBondContact O-N 3.08Å; E138-S142 PolarHBondContact O-OG 3.06Å; V139-S142 WeakPolarHBondContact O-CB 3.48Å; V139-S142 PolarHBondContact O-N 2.87Å; V139-S142 VanDerWaalsContact O-N 3.12Å; K140-S142 VanDerWaalsContact C-N 3.29Å; K140-S142 PolarHBondContact O-N 2.84Å; S142-L146 WeakPolarHBondContact O-CB 3.41Å; S142-L146 PolarHBondContact O-N 2.89Å
143	V	87.5	Confident	88.7	Confident	3 Å²	3	70.5 Å²	70.5	2%	0.018	35%	0.349	C	S	.	.	H	α-helix	trans	-67.2	-44.3	176.6	171.4	0	0	0	0	111	I54 L117 V139 K140 L146 K147	I54-V143 HydrophobicContact CD1-CG2 4.04Å; L117-V143 HydrophobicContact CB-CG1 4.1Å; L117-V143 HydrophobicContact CD2-CG1 4.46Å; V139-V143 HydrophobicContact CG1-CG2 4.22Å; V139-V143 WeakPolarHBondContact O-CG2 3.28Å; V139-V143 PolarHBondContact O-N 2.75Å; K140-V143 PolarHBondContact O-N 2.76Å; V143-L146 PolarHBondContact O-N 3.31Å; V143-K147 WeakPolarHBondContact O-CB 3.45Å; V143-K147 PolarHBondContact O-N 3.35Å
144	E	90.8	Very high	89.1	Confident	86 Å²	86	66.4 Å²	66.4	40%	0.402	33%	0.329	S	S	.	.	H	α-helix	trans	-62.3	-42.8	176	-73.1	173.9	165.3	0	0	111.4	K140 V141 K147 S148	K140-E144 WeakPolarHBondContact CE-OE1 3.43Å; K140-E144 IonicContact NZ-OE1 2.6Å; K140-E144 WeakPolarHBondContact O-CG 3.46Å; K140-E144 PolarHBondContact O-N 3.39Å; V141-E144 PolarHBondContact O-N 3.49Å; E144-K147 PolarHBondContact O-N 2.77Å; E144-S148 PolarHBondContact O-N 2.87Å
145	Q	91.5	Very high	89.6	Confident	111 Å²	111	59.4 Å²	59.4	52%	0.519	31%	0.305	S	S	.	.	H	α-helix	trans	-63.6	-45.1	175.6	-176	176.9	0.6	0	0	111.8	V141 S148 Q149	V141-Q145 WeakPolarHBondContact O-CB 3.42Å; V141-Q145 PolarHBondContact O-N 3.33Å; Q145-S148 PolarHBondContact O-N 2.84Å; Q145-Q149 WeakPolarHBondContact O-CG 3.42Å; Q145-Q149 PolarHBondContact O-N 3.3Å
146	L	88.9	Confident	89.9	Confident	21 Å²	21	60 Å²	60	11%	0.11	30%	0.304	C	S	.	.	H	α-helix	trans	-62	-44.8	176.7	178	62.3	0	0	0	111.2	I54 K58 S142 V143 S148 Q149 L150	I54-L146 HydrophobicContact CG2-CD2 3.76Å; K58-L146 HydrophobicContact CB-CD1 4.45Å; K58-L146 HydrophobicContact CG-CD1 4.34Å; S142-L146 WeakPolarHBondContact O-CB 3.41Å; S142-L146 PolarHBondContact O-N 2.89Å; V143-L146 PolarHBondContact O-N 3.31Å; L146-S148 VanDerWaalsContact C-N 3.34Å; L146-S148 PolarHBondContact O-N 3.29Å; L146-Q149 PolarHBondContact O-N 3.37Å; L146-L150 HydrophobicContact CD1-CD1 3.84Å; L146-L150 HydrophobicContact CD1-CG 3.98Å; L146-L150 HydrophobicContact CD2-CD1 4.45Å; L146-L150 HydrophobicContact CG-CD1 3.79Å; L146-L150 HydrophobicContact CG-CG 4.32Å; L146-L150 WeakPolarHBondContact O-CB 3.21Å; L146-L150 VanDerWaalsContact O-CG 3.26Å; L146-L150 WeakPolarHBondContact O-CG 3.25Å; L146-L150 PolarHBondContact O-N 2.76Å
147	K	89.7	Confident	90.2	Very high	34 Å²	34	61.4 Å²	61.4	15%	0.148	31%	0.311	C	S	.	.	H	α-helix	trans	-56.8	-49.7	176.5	-173.3	-171.5	-178	-168.8	0	110.6	L114 L117 D118 V143 E144 Q149 L150 Q151	L114-K147 HydrophobicContact CB-CG 4.48Å; L117-K147 HydrophobicContact CB-CD 4.5Å; L117-K147 HydrophobicContact CD1-CB 3.75Å; L117-K147 HydrophobicContact CD1-CG 4.09Å; D118-K147 IonicContact OD1-NZ 3.1Å; D118-K147 PolarHBondContact OD1-NZ 3.04Å; D118-K147 IonicContact OD2-NZ 3.55Å; D118-K147 PolarHBondContact OD2-NZ 3.21Å; V143-K147 WeakPolarHBondContact O-CB 3.45Å; V143-K147 PolarHBondContact O-N 3.35Å; E144-K147 PolarHBondContact O-N 2.77Å; K147-Q149 PolarHBondContact O-N 2.93Å; K147-L150 PolarHBondContact O-N 3.32Å; K147-Q151 HydrophobicContact CG-CG 4.44Å; K147-Q151 WeakPolarHBondContact O-CB 3.34Å; K147-Q151 VanDerWaalsContact O-CG 3.28Å; K147-Q151 WeakPolarHBondContact O-CG 3.44Å; K147-Q151 PolarHBondContact O-N 3.12Å
148	S	91.9	Very high	90.5	Very high	58 Å²	58	55.4 Å²	55.4	41%	0.406	29%	0.285	S	S	.	.	H	α-helix	trans	-58.1	-47.8	178.2	-172.4	0	0	0	0	111.7	E144 Q145 L146 L150 Q151 D152	E144-S148 PolarHBondContact O-N 2.87Å; Q145-S148 PolarHBondContact O-N 2.84Å; L146-S148 VanDerWaalsContact C-N 3.34Å; L146-S148 PolarHBondContact O-N 3.29Å; S148-L150 VanDerWaalsContact C-N 3.34Å; S148-L150 PolarHBondContact O-N 3.41Å; S148-Q151 PolarHBondContact O-N 3.33Å; S148-D152 PolarHBondContact O-N 2.83Å
149	Q	91.5	Very high	90.7	Very high	81 Å²	81	50.6 Å²	50.6	38%	0.379	26%	0.263	S	S	.	.	H	α-helix	trans	-61.1	-42.6	178.5	-73.9	-179.3	-22.5	0	0	112.2	Q145 L146 K147 D152 I153	Q145-Q149 WeakPolarHBondContact O-CG 3.42Å; Q145-Q149 PolarHBondContact O-N 3.3Å; L146-Q149 PolarHBondContact O-N 3.37Å; K147-Q149 PolarHBondContact O-N 2.93Å; Q149-D152 PolarHBondContact O-N 2.79Å; Q149-I153 VanDerWaalsContact O-CG1 3.25Å; Q149-I153 WeakPolarHBondContact O-CG1 3.34Å; Q149-I153 PolarHBondContact O-N 2.95Å
150	L	90.2	Very high	91	Very high	27 Å²	27	52.7 Å²	52.7	14%	0.141	27%	0.273	C	S	.	.	H	α-helix	trans	-69.7	-34.5	178.9	-67.3	173.5	0	0	0	112.3	V61 L114 L146 K147 S148 S154	V61-L150 HydrophobicContact CB-CD2 4.31Å; V61-L150 HydrophobicContact CG1-CD2 3.73Å; V61-L150 HydrophobicContact CG2-CD2 3.95Å; L114-L150 HydrophobicContact CD1-CB 3.64Å; L114-L150 HydrophobicContact CD2-CB 3.52Å; L114-L150 HydrophobicContact CD2-CD1 3.49Å; L114-L150 VanDerWaalsContact CD2-CD1 3.49Å; L114-L150 HydrophobicContact CD2-CG 4.14Å; L114-L150 HydrophobicContact CG-CB 4.24Å; L146-L150 HydrophobicContact CD1-CD1 3.84Å; L146-L150 HydrophobicContact CD1-CG 3.98Å; L146-L150 HydrophobicContact CD2-CD1 4.45Å; L146-L150 HydrophobicContact CG-CD1 3.79Å; L146-L150 HydrophobicContact CG-CG 4.32Å; L146-L150 WeakPolarHBondContact O-CB 3.21Å; L146-L150 VanDerWaalsContact O-CG 3.26Å; L146-L150 WeakPolarHBondContact O-CG 3.25Å; L146-L150 PolarHBondContact O-N 2.76Å; K147-L150 PolarHBondContact O-N 3.32Å; S148-L150 VanDerWaalsContact C-N 3.34Å; S148-L150 PolarHBondContact O-N 3.41Å; L150-S154 WeakPolarHBondContact O-CB 3.49Å; L150-S154 PolarHBondContact O-N 2.74Å
151	Q	91.3	Very high	91.2	Very high	79 Å²	79	50.3 Å²	50.3	37%	0.369	26%	0.264	S	S	.	.	H	α-helix	trans	-63.3	-46	172.8	-75.4	175.7	-44.2	0	0	110.7	L114 K147 S148 S154 L155	L114-Q151 HydrophobicContact CD1-CB 4.35Å; L114-Q151 HydrophobicContact CD1-CG 3.62Å; K147-Q151 HydrophobicContact CG-CG 4.44Å; K147-Q151 WeakPolarHBondContact O-CB 3.34Å; K147-Q151 VanDerWaalsContact O-CG 3.28Å; K147-Q151 WeakPolarHBondContact O-CG 3.44Å; K147-Q151 PolarHBondContact O-N 3.12Å; S148-Q151 PolarHBondContact O-N 3.33Å; Q151-S154 PolarHBondContact O-N 2.91Å; Q151-L155 WeakPolarHBondContact O-CB 3.46Å; Q151-L155 PolarHBondContact O-N 3.18Å
152	D	91	Very high	91.3	Very high	85 Å²	85	48.1 Å²	48.1	46%	0.455	25%	0.249	S	C	.	.	H	α-helix	trans	-61.9	-46	176.8	-71	-22.8	0	0	0	111.5	S148 Q149 L155 H156	S148-D152 PolarHBondContact O-N 2.83Å; Q149-D152 PolarHBondContact O-N 2.79Å; D152-L155 PolarHBondContact O-N 3.33Å; D152-H156 PolarHBondContact O-N 3.21Å; D152-H156 PolarHBondContact O-ND1 3.37Å
153	I	91.2	Very high	91.5	Very high	72 Å²	72	45.7 Å²	45.7	37%	0.369	23%	0.232	S	C	.	.	H	α-helix	trans	-61.8	-46.5	177.3	-68.7	165.2	0	0	0	110.7	V61 Q149 L155 H156 L157	V61-I153 HydrophobicContact CG1-CD1 4.42Å; Q149-I153 VanDerWaalsContact O-CG1 3.25Å; Q149-I153 WeakPolarHBondContact O-CG1 3.34Å; Q149-I153 PolarHBondContact O-N 2.95Å; I153-L155 VanDerWaalsContact C-N 3.31Å; I153-L155 PolarHBondContact O-N 3.45Å; I153-H156 PolarHBondContact O-N 3.42Å; I153-L157 WeakPolarHBondContact O-CB 3.35Å; I153-L157 PolarHBondContact O-N 2.72Å
154	S	90.7	Very high	91.6	Very high	7 Å²	7	49.1 Å²	49.1	5%	0.049	25%	0.25	C	C	.	.	H	α-helix	trans	-59.6	-41.9	178	170.3	0	0	0	0	111.7	A107 L150 Q151 H158	A107-S154 PolarHBondContact O-OG 3.41Å; L150-S154 WeakPolarHBondContact O-CB 3.49Å; L150-S154 PolarHBondContact O-N 2.74Å; Q151-S154 PolarHBondContact O-N 2.91Å; S154-H158 WeakPolarHBondContact O-CB 3.46Å; S154-H158 PolarHBondContact O-N 3.48Å
155	L	92.7	Very high	91.6	Very high	38 Å²	38	45 Å²	45	20%	0.199	23%	0.231	C	C	.	.	H	α-helix	trans	-61.8	-50	177.6	-175.6	63.2	0	0	0	111.9	Q151 D152 I153 H158 V159 F386 A389	Q151-L155 WeakPolarHBondContact O-CB 3.46Å; Q151-L155 PolarHBondContact O-N 3.18Å; D152-L155 PolarHBondContact O-N 3.33Å; I153-L155 VanDerWaalsContact C-N 3.31Å; I153-L155 PolarHBondContact O-N 3.45Å; L155-H158 WeakPolarHBondContact O-CB 3.33Å; L155-H158 PolarHBondContact O-N 3.43Å; L155-V159 WeakPolarHBondContact O-CG2 3.17Å; L155-V159 PolarHBondContact O-N 2.89Å; L155-F386 HydrophobicContact CD1-CB 3.93Å; L155-F386 HydrophobicContact CD1-CD2 4.29Å; L155-A389 HydrophobicContact CD2-CB 3.79Å; L155-A389 HydrophobicContact CG-CB 3.94Å
156	H	93.5	Very high	91.6	Very high	65 Å²	65	40.4 Å²	40.4	30%	0.301	21%	0.208	S	C	.	.	H	α-helix	trans	-71.8	-33.4	-178.7	-67	79.5	0	0	0	111.9	D152 I153 H158 V159 D160 M393	D152-H156 PolarHBondContact O-N 3.21Å; D152-H156 PolarHBondContact O-ND1 3.37Å; I153-H156 PolarHBondContact O-N 3.42Å; H156-H158 VanDerWaalsContact C-N 3.34Å; H156-H158 PolarHBondContact O-N 2.96Å; H156-V159 WeakPolarHBondContact O-CB 3.31Å; H156-V159 PolarHBondContact O-N 3.35Å; H156-D160 PolarHBondContact O-N 2.89Å; H156-M393 HydrophobicContact CB-SD 4.08Å; H156-M393 PolarHBondContact CD2-SD 2.69Å
157	L	92.5	Very high	91.6	Very high	45 Å²	45	40.3 Å²	40.3	24%	0.236	21%	0.209	C	C	.	.	H	α-helix	trans	-62.2	-41.5	171.2	-179.4	63	0	0	0	111.6	L68 A107 I110 I153 V159 D160 I161	L68-L157 HydrophobicContact CD2-CD1 3.99Å; A107-L157 HydrophobicContact CB-CD2 4.21Å; A107-L157 HydrophobicContact CB-CG 4.18Å; I110-L157 HydrophobicContact CD1-CD2 4.41Å; I153-L157 WeakPolarHBondContact O-CB 3.35Å; I153-L157 PolarHBondContact O-N 2.72Å; L157-V159 VanDerWaalsContact C-N 3.34Å; L157-D160 PolarHBondContact O-N 3.21Å; L157-I161 HydrophobicContact CD1-CD1 3.8Å; L157-I161 HydrophobicContact CD1-CG1 4.21Å; L157-I161 HydrophobicContact CD2-CD1 4.48Å; L157-I161 HydrophobicContact CG-CD1 3.76Å; L157-I161 VanDerWaalsContact O-CG1 3.27Å; L157-I161 WeakPolarHBondContact O-CG1 3.45Å; L157-I161 PolarHBondContact O-N 2.93Å
158	H	92.4	Very high	91.5	Very high	26 Å²	26	43 Å²	43	12%	0.12	23%	0.225	C	C	.	.	H	α-helix	trans	-60	-45.5	173.5	-174.9	175.4	0	0	0	110.6	L104 A107 R108 S154 L155 H156 D160 I161 D162 F386	L104-H158 WeakPolarHBondContact CD1-CD2 3.46Å; A107-H158 HydrophobicContact CB-CB 4.22Å; R108-H158 PolarHBondContact NE-CE1 2.73Å; R108-H158 PolarHBondContact NE-NE2 2.8Å; S154-H158 WeakPolarHBondContact O-CB 3.46Å; S154-H158 PolarHBondContact O-N 3.48Å; L155-H158 WeakPolarHBondContact O-CB 3.33Å; L155-H158 PolarHBondContact O-N 3.43Å; H156-H158 VanDerWaalsContact C-N 3.34Å; H156-H158 PolarHBondContact O-N 2.96Å; H158-D160 PolarHBondContact O-N 2.86Å; H158-I161 PolarHBondContact O-N 3.27Å; H158-D162 WeakPolarHBondContact O-CB 3.5Å; H158-D162 PolarHBondContact O-N 3.22Å; H158-F386 HydrophobicContact CB-CE2 4.32Å; H158-F386 AromaticContact CD2-CE2 3.59Å; H158-F386 AromaticContact CG-CE2 3.74Å; H158-F386 AromaticContact ND1-CD2 3.93Å; H158-F386 AromaticContact NE2-CE2 3.88Å
159	V	93.1	Very high	91.2	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-58.4	-48.1	177	172.4	0	0	0	0	111.7	L155 H156 L157 D162 G163 F386 A389 K390 M393 W400	L155-V159 WeakPolarHBondContact O-CG2 3.17Å; L155-V159 PolarHBondContact O-N 2.89Å; H156-V159 WeakPolarHBondContact O-CB 3.31Å; H156-V159 PolarHBondContact O-N 3.35Å; L157-V159 VanDerWaalsContact C-N 3.34Å; V159-D162 PolarHBondContact O-N 3.42Å; V159-G163 PolarHBondContact O-N 2.93Å; V159-F386 HydrophobicContact CB-CE2 4.39Å; V159-F386 HydrophobicContact CG2-CD2 3.77Å; V159-F386 HydrophobicContact CG2-CE2 3.64Å; V159-A389 HydrophobicContact CG2-CB 4.2Å; V159-K390 HydrophobicContact CG1-CB 4.19Å; V159-K390 HydrophobicContact CG1-CG 4.27Å; V159-K390 HydrophobicContact CG2-CB 4.04Å; V159-M393 HydrophobicContact CB-SD 3.7Å; V159-M393 HydrophobicContact CG1-CB 4.07Å; V159-M393 HydrophobicContact CG1-CE 4.26Å; V159-M393 HydrophobicContact CG1-CG 4.25Å; V159-M393 HydrophobicContact CG1-SD 3.41Å; V159-M393 WeakPolarHBondContact CG1-SD 3.25Å; V159-M393 HydrophobicContact CG2-SD 4.34Å; V159-W400 HydrophobicContact CG1-CH2 3.77Å; V159-W400 HydrophobicContact CG1-CZ2 3.87Å
160	D	93.1	Very high	91.1	Very high	67 Å²	67	37.1 Å²	37.1	36%	0.358	19%	0.193	S	C	.	.	H	α-helix	trans	-63.8	-43.8	-179.9	-80.9	-23.6	0	0	0	112.1	H156 L157 H158 G163 I164 M393	H156-D160 PolarHBondContact O-N 2.89Å; L157-D160 PolarHBondContact O-N 3.21Å; H158-D160 PolarHBondContact O-N 2.86Å; D160-G163 PolarHBondContact O-N 3.47Å; D160-I164 VanDerWaalsContact O-CG1 3.3Å; D160-I164 WeakPolarHBondContact O-CG1 3.3Å; D160-I164 PolarHBondContact O-N 3.21Å; D160-M393 WeakPolarHBondContact OD1-CE 3.22Å
161	I	91.9	Very high	91.1	Very high	17 Å²	17	36.2 Å²	36.2	9%	0.087	19%	0.189	C	C	.	.	H	α-helix	trans	-68.2	-37.2	179.7	-63.7	165.4	0	0	0	111.7	R100 A103 L104 A107 L157 H158 G163	R100-I161 HydrophobicContact CG-CG2 4.27Å; A103-I161 HydrophobicContact CB-CD1 3.9Å; A103-I161 HydrophobicContact CB-CG1 4.47Å; A103-I161 HydrophobicContact CB-CG2 4.19Å; L104-I161 HydrophobicContact CB-CG2 3.81Å; L104-I161 HydrophobicContact CD1-CG2 4.24Å; A107-I161 HydrophobicContact CB-CD1 4.14Å; L157-I161 HydrophobicContact CD1-CD1 3.8Å; L157-I161 HydrophobicContact CD1-CG1 4.21Å; L157-I161 HydrophobicContact CD2-CD1 4.48Å; L157-I161 HydrophobicContact CG-CD1 3.76Å; L157-I161 VanDerWaalsContact O-CG1 3.27Å; L157-I161 WeakPolarHBondContact O-CG1 3.45Å; L157-I161 PolarHBondContact O-N 2.93Å; H158-I161 PolarHBondContact O-N 3.27Å; I161-G163 VanDerWaalsContact C-N 3.35Å
162	D	92.9	Very high	91.1	Very high	34 Å²	34	36.9 Å²	36.9	18%	0.182	19%	0.192	C	C	.	.	H	α-helix	trans	-60.1	-47.7	169.7	177	71.5	0	0	0	110.3	H158 V159 I164 G165 R166 F386	H158-D162 WeakPolarHBondContact O-CB 3.5Å; H158-D162 PolarHBondContact O-N 3.22Å; V159-D162 PolarHBondContact O-N 3.42Å; D162-I164 PolarHBondContact O-N 3.34Å; D162-G165 WeakPolarHBondContact O-CA 3.33Å; D162-G165 PolarHBondContact O-N 2.93Å; D162-R166 WeakPolarHBondContact O-CG 3.18Å; D162-R166 IonicContact OD2-CZ 3.99Å; D162-R166 IonicContact OD2-NE 3.6Å; D162-R166 PolarHBondContact OD2-NE 3.29Å; D162-R166 IonicContact OD2-NH2 3.55Å; D162-R166 PolarHBondContact OD2-NH2 3.5Å; D162-F386 HydrophobicContact CB-CZ 4.18Å
163	G	92.6	Very high	91	Very high	3 Å²	3	33.7 Å²	33.7	3%	0.031	18%	0.176	C	C	.	.	H	α-helix	trans	-61.3	-40.5	179.2	0	0	0	0	0	114.9	V159 D160 I161 G165 R166 V167	V159-G163 PolarHBondContact O-N 2.93Å; D160-G163 PolarHBondContact O-N 3.47Å; I161-G163 VanDerWaalsContact C-N 3.35Å; G163-G165 PolarHBondContact O-N 3.33Å; G163-G165 VanDerWaalsContact O-N 3.15Å; G163-R166 WeakPolarHBondContact O-CA 3.37Å; G163-R166 PolarHBondContact O-N 2.96Å; G163-V167 WeakPolarHBondContact O-CG1 3.26Å; G163-V167 PolarHBondContact O-N 3.46Å
164	I	90.5	Very high	91	Very high	75 Å²	75	30.8 Å²	30.8	39%	0.385	16%	0.161	S	C	.	.	H	α-helix	trans	-53.8	-34.6	172.1	-75.2	168.3	0	0	0	111	Y96 R100 D160 D162 R166	Y96-I164 HydrophobicContact CE2-CG2 4.49Å; Y96-I164 WeakPolarHBondContact OH-CG2 3.35Å; Y96-I164 PolarHBondContact OH-O 2.78Å; Y96-I164 VanDerWaalsContact OH-O 3.05Å; R100-I164 HydrophobicContact CG-CG2 4.39Å; D160-I164 VanDerWaalsContact O-CG1 3.3Å; D160-I164 WeakPolarHBondContact O-CG1 3.3Å; D160-I164 PolarHBondContact O-N 3.21Å; D162-I164 PolarHBondContact O-N 3.34Å; I164-R166 VanDerWaalsContact C-N 3.26Å; I164-R166 PolarHBondContact O-N 2.91Å
165	G	90.3	Very high	91.1	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.4	-1.9	175.6	0	0	0	0	0	115.1	D162 G163 R174	D162-G165 WeakPolarHBondContact O-CA 3.33Å; D162-G165 PolarHBondContact O-N 2.93Å; G163-G165 PolarHBondContact O-N 3.33Å; G163-G165 VanDerWaalsContact O-N 3.15Å; G165-R174 PolarHBondContact O-NH1 2.74Å; G165-R174 PolarHBondContact O-NH2 2.87Å
166	R	90.7	Very high	91.1	Very high	14 Å²	14	33.1 Å²	33.1	5%	0.053	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-123.7	-38.2	-171.2	-61.1	-167.1	-69	121.6	5.5	116.2	D162 G163 I164 L171 M394 D403	D162-R166 WeakPolarHBondContact O-CG 3.18Å; D162-R166 IonicContact OD2-CZ 3.99Å; D162-R166 IonicContact OD2-NE 3.6Å; D162-R166 PolarHBondContact OD2-NE 3.29Å; D162-R166 IonicContact OD2-NH2 3.55Å; D162-R166 PolarHBondContact OD2-NH2 3.5Å; G163-R166 WeakPolarHBondContact O-CA 3.37Å; G163-R166 PolarHBondContact O-N 2.96Å; I164-R166 VanDerWaalsContact C-N 3.26Å; I164-R166 PolarHBondContact O-N 2.91Å; R166-L171 HydrophobicContact CB-CB 3.98Å; R166-L171 HydrophobicContact CB-CD2 4.3Å; R166-L171 HydrophobicContact CG-CB 4.1Å; R166-L171 HydrophobicContact CG-CD2 3.99Å; R166-L171 HydrophobicContact CG-CG 4.49Å; R166-L171 PolarHBondContact O-N 2.94Å; R166-M394 PolarHBondContact NH2-SD 3.01Å; R166-D403 IonicContact CZ-OD2 2.87Å; R166-D403 VanDerWaalsContact CZ-OD2 3.22Å; R166-D403 VanDerWaalsContact NH1-CG 3.28Å; R166-D403 IonicContact NH1-OD1 3.27Å; R166-D403 PolarHBondContact NH1-OD1 3.12Å; R166-D403 VanDerWaalsContact NH1-OD1 3.13Å; R166-D403 IonicContact NH1-OD2 3.13Å; R166-D403 PolarHBondContact NH1-OD2 2.83Å; R166-D403 IonicContact NH2-OD2 3.8Å
167	V	90	Very high	91	Very high	20 Å²	20	33 Å²	33	12%	0.121	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.9	170.4	-177	-61.2	0	0	0	0	112.5	G163 G169 V170 W400 R401 D403	G163-V167 WeakPolarHBondContact O-CG1 3.26Å; G163-V167 PolarHBondContact O-N 3.46Å; V167-G169 PolarHBondContact O-N 3.41Å; V167-G169 VanDerWaalsContact O-N 3.14Å; V167-V170 VanDerWaalsContact O-CB 3.31Å; V167-V170 WeakPolarHBondContact O-CB 3.45Å; V167-V170 VanDerWaalsContact O-CG2 3.27Å; V167-V170 WeakPolarHBondContact O-CG2 3.42Å; V167-V170 PolarHBondContact O-N 2.96Å; V167-W400 HydrophobicContact CG1-CB 4.49Å; V167-W400 HydrophobicContact CG1-CD2 4.47Å; V167-W400 HydrophobicContact CG1-CE3 3.93Å; V167-R401 CarbonylContact C-O 3.59Å; V167-R401 WeakPolarHBondContact CA-O 3.24Å; V167-D403 HydrophobicContact CG1-CB 4.45Å
168	D	87.1	Confident	91.1	Very high	91 Å²	91	30.9 Å²	30.9	49%	0.487	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.2	32.7	174.5	-58.2	-38.6	0	0	0	113.6	V89 V170 R401	V89-D168 WeakPolarHBondContact CG1-O 3.19Å; D168-V170 PolarHBondContact O-N 3.23Å; D168-R401 PolarHBondContact N-O 2.79Å
169	G	86.8	Confident	91.3	Very high	8 Å²	8	31.3 Å²	31.3	8%	0.082	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	76	4.6	179.7	0	0	0	0	0	114.4	V167 L171 E172 S173 N402	V167-G169 PolarHBondContact O-N 3.41Å; V167-G169 VanDerWaalsContact O-N 3.14Å; G169-L171 PolarHBondContact O-N 2.82Å; G169-E172 PolarHBondContact O-N 3.47Å; G169-S173 WeakPolarHBondContact O-CB 3.44Å; G169-S173 PolarHBondContact O-N 3.15Å; G169-N402 PolarHBondContact N-O 3.49Å
170	V	88.9	Confident	91.3	Very high	6 Å²	6	36.4 Å²	36.4	4%	0.036	18%	0.181	C	C	.	.	H	α-helix	trans	-65.8	-41.9	-174.2	175.1	0	0	0	0	112.4	G90 V167 D168 R174	G90-V170 VanDerWaalsContact O-CA 3.22Å; G90-V170 WeakPolarHBondContact O-CA 3.46Å; V167-V170 VanDerWaalsContact O-CB 3.31Å; V167-V170 WeakPolarHBondContact O-CB 3.45Å; V167-V170 VanDerWaalsContact O-CG2 3.27Å; V167-V170 WeakPolarHBondContact O-CG2 3.42Å; V167-V170 PolarHBondContact O-N 2.96Å; D168-V170 PolarHBondContact O-N 3.23Å; V170-R174 WeakPolarHBondContact O-CB 3.42Å; V170-R174 PolarHBondContact O-N 3.2Å
171	L	90.8	Very high	91.4	Very high	8 Å²	8	33.3 Å²	33.3	4%	0.042	16%	0.164	C	C	.	.	H	α-helix	trans	-65.3	-46.9	177	173.4	63.4	0	0	0	112	R166 G169 S173 R174 I175 I404 K405	R166-L171 HydrophobicContact CB-CB 3.98Å; R166-L171 HydrophobicContact CB-CD2 4.3Å; R166-L171 HydrophobicContact CG-CB 4.1Å; R166-L171 HydrophobicContact CG-CD2 3.99Å; R166-L171 HydrophobicContact CG-CG 4.49Å; R166-L171 PolarHBondContact O-N 2.94Å; G169-L171 PolarHBondContact O-N 2.82Å; L171-S173 VanDerWaalsContact C-N 3.29Å; L171-S173 PolarHBondContact O-N 2.73Å; L171-R174 PolarHBondContact O-N 3.13Å; L171-I175 HydrophobicContact CD1-CD1 3.97Å; L171-I175 HydrophobicContact CD1-CG1 4.02Å; L171-I175 HydrophobicContact CG-CD1 3.99Å; L171-I175 HydrophobicContact CG-CG1 4.38Å; L171-I175 WeakPolarHBondContact O-CG1 3.4Å; L171-I175 PolarHBondContact O-N 2.97Å; L171-I404 HydrophobicContact CB-CG1 4.48Å; L171-I404 HydrophobicContact CD2-CD1 4.38Å; L171-I404 HydrophobicContact CD2-CG1 3.95Å; L171-I404 HydrophobicContact CG-CD1 4.23Å; L171-I404 HydrophobicContact CG-CG1 4.15Å; L171-K405 HydrophobicContact CD2-CB 4.01Å; L171-K405 HydrophobicContact CD2-CD 3.57Å; L171-K405 HydrophobicContact CD2-CG 3.54Å
172	E	89.9	Confident	91.7	Very high	94 Å²	94	32.5 Å²	32.5	44%	0.439	16%	0.16	S	C	.	.	H	α-helix	trans	-57.8	-46.9	-179.4	-177.1	172.2	-157.2	0	0	110.8	G169 I175 N176 I404	G169-E172 PolarHBondContact O-N 3.47Å; E172-I175 PolarHBondContact O-N 3.38Å; E172-N176 VanDerWaalsContact O-CG 3.26Å; E172-N176 PolarHBondContact O-N 3.29Å; E172-N176 PolarHBondContact O-ND2 3.07Å; E172-I404 HydrophobicContact CB-CD1 3.75Å; E172-I404 HydrophobicContact CB-CG1 4.2Å; E172-I404 HydrophobicContact CB-CG2 3.89Å; E172-I404 HydrophobicContact CG-CD1 4.21Å; E172-I404 HydrophobicContact CG-CG2 4.25Å
173	S	89.5	Confident	91.9	Very high	18 Å²	18	34.7 Å²	34.7	13%	0.126	17%	0.172	C	C	.	.	H	α-helix	trans	-57.6	-53.1	174.7	-154.8	0	0	0	0	110.8	G90 I91 G169 L171 I175 N176 Y177	G90-S173 WeakPolarHBondContact O-CB 3.43Å; I91-S173 WeakPolarHBondContact CG1-OG 3.46Å; G169-S173 WeakPolarHBondContact O-CB 3.44Å; G169-S173 PolarHBondContact O-N 3.15Å; L171-S173 VanDerWaalsContact C-N 3.29Å; L171-S173 PolarHBondContact O-N 2.73Å; S173-I175 VanDerWaalsContact C-N 3.28Å; S173-I175 PolarHBondContact O-N 3Å; S173-N176 PolarHBondContact O-N 3.36Å; S173-N176 VanDerWaalsContact O-N 3.09Å; S173-Y177 WeakPolarHBondContact O-CD2 3.3Å; S173-Y177 PolarHBondContact O-N 3.35Å; S173-Y177 WeakPolarHBondContact OG-CE2 3.3Å
174	R	90.7	Very high	92	Very high	10 Å²	10	38.5 Å²	38.5	4%	0.038	19%	0.189	C	C	.	.	H	α-helix	trans	-55.3	-41.8	178.9	-168	-174.8	-58.8	108.1	0.5	112.8	E97 G165 V170 L171 L178 L315	E97-R174 IonicContact OE1-CZ 3.29Å; E97-R174 IonicContact OE1-NE 3.75Å; E97-R174 IonicContact OE1-NH2 2.65Å; E97-R174 PolarHBondContact OE1-NH2 2.87Å; E97-R174 IonicContact OE2-NH2 3.66Å; G165-R174 PolarHBondContact O-NH1 2.74Å; G165-R174 PolarHBondContact O-NH2 2.87Å; V170-R174 WeakPolarHBondContact O-CB 3.42Å; V170-R174 PolarHBondContact O-N 3.2Å; L171-R174 PolarHBondContact O-N 3.13Å; R174-L178 HydrophobicContact CG-CD1 4.13Å; R174-L178 WeakPolarHBondContact O-CB 3.45Å; R174-L178 WeakPolarHBondContact O-CG 3.42Å; R174-L178 PolarHBondContact O-N 3.29Å; R174-L315 WeakPolarHBondContact CD-O 3.08Å; R174-L315 HydrophobicContact CG-CD2 4.38Å
175	I	93.5	Very high	92.3	Very high	8 Å²	8	35.1 Å²	35.1	4%	0.041	17%	0.172	C	C	.	.	H	α-helix	trans	-60.3	-52	176.1	-72.7	179.4	0	0	0	110.6	L171 E172 S173 Y177 L178 E179 I404 L503	L171-I175 HydrophobicContact CD1-CD1 3.97Å; L171-I175 HydrophobicContact CD1-CG1 4.02Å; L171-I175 HydrophobicContact CG-CD1 3.99Å; L171-I175 HydrophobicContact CG-CG1 4.38Å; L171-I175 WeakPolarHBondContact O-CG1 3.4Å; L171-I175 PolarHBondContact O-N 2.97Å; E172-I175 PolarHBondContact O-N 3.38Å; S173-I175 VanDerWaalsContact C-N 3.28Å; S173-I175 PolarHBondContact O-N 3Å; I175-Y177 VanDerWaalsContact C-N 3.3Å; I175-Y177 PolarHBondContact O-N 3.11Å; I175-L178 PolarHBondContact O-N 3.41Å; I175-E179 WeakPolarHBondContact O-CB 3.32Å; I175-E179 PolarHBondContact O-N 2.8Å; I175-I404 HydrophobicContact CD1-CD1 3.96Å; I175-L503 HydrophobicContact CG2-CD2 4.02Å
176	N	91.7	Very high	92.7	Very high	87 Å²	87	36.5 Å²	36.5	47%	0.465	18%	0.178	S	C	.	.	H	α-helix	trans	-59.9	-41.5	-177.7	-68.5	-19.4	0	0	0	111.8	E172 S173 E179 Y180	E172-N176 VanDerWaalsContact O-CG 3.26Å; E172-N176 PolarHBondContact O-N 3.29Å; E172-N176 PolarHBondContact O-ND2 3.07Å; S173-N176 PolarHBondContact O-N 3.36Å; S173-N176 VanDerWaalsContact O-N 3.09Å; N176-E179 PolarHBondContact O-N 2.95Å; N176-Y180 WeakPolarHBondContact O-CB 3.43Å; N176-Y180 PolarHBondContact O-N 2.88Å
177	Y	91.8	Very high	93.1	Very high	62 Å²	62	38.5 Å²	38.5	24%	0.243	19%	0.194	C	C	.	.	H	α-helix	trans	-73	-36.5	179.2	-81	-86	0	0	0	113.2	I91 S173 I175 L181 F596	I91-Y177 HydrophobicContact CD1-CD1 4.21Å; I91-Y177 HydrophobicContact CD1-CD2 3.01Å; I91-Y177 HydrophobicContact CD1-CE1 4.38Å; I91-Y177 HydrophobicContact CD1-CE2 3.21Å; I91-Y177 HydrophobicContact CD1-CG 3.49Å; I91-Y177 VanDerWaalsContact CD1-CG 3.49Å; I91-Y177 HydrophobicContact CG1-CD2 4.06Å; I91-Y177 HydrophobicContact CG1-CE2 3.92Å; S173-Y177 WeakPolarHBondContact O-CD2 3.3Å; S173-Y177 PolarHBondContact O-N 3.35Å; S173-Y177 WeakPolarHBondContact OG-CE2 3.3Å; I175-Y177 VanDerWaalsContact C-N 3.3Å; I175-Y177 PolarHBondContact O-N 3.11Å; Y177-L181 WeakPolarHBondContact O-CB 3.35Å; Y177-L181 PolarHBondContact O-N 3.03Å; Y177-F596 AromaticContact CD1-CD1 3.74Å; Y177-F596 HydrophobicContact CD1-CD1 3.74Å; Y177-F596 AromaticContact CD1-CD2 3.71Å; Y177-F596 HydrophobicContact CD1-CD2 3.71Å; Y177-F596 AromaticContact CD1-CE1 3.51Å; Y177-F596 HydrophobicContact CD1-CE1 3.51Å; Y177-F596 AromaticContact CD1-CE2 3.4Å; Y177-F596 HydrophobicContact CD1-CE2 3.4Å; Y177-F596 AromaticContact CD1-CG 3.88Å; Y177-F596 HydrophobicContact CD1-CG 3.88Å; Y177-F596 AromaticContact CD1-CZ 3.38Å; Y177-F596 HydrophobicContact CD1-CZ 3.38Å; Y177-F596 HydrophobicContact CE1-CB 4.2Å; Y177-F596 AromaticContact CE1-CD1 3.7Å; Y177-F596 HydrophobicContact CE1-CD1 3.7Å; Y177-F596 AromaticContact CE1-CD2 3.69Å; Y177-F596 HydrophobicContact CE1-CD2 3.69Å; Y177-F596 AromaticContact CE1-CE1 3.99Å; Y177-F596 HydrophobicContact CE1-CE1 3.99Å; Y177-F596 AromaticContact CE1-CE2 3.91Å; Y177-F596 HydrophobicContact CE1-CE2 3.91Å; Y177-F596 AromaticContact CE1-CG 3.59Å; Y177-F596 HydrophobicContact CE1-CG 3.59Å; Y177-F596 HydrophobicContact CE1-CZ 4.13Å; Y177-F596 HydrophobicContact CG-CE2 4.34Å; Y177-F596 HydrophobicContact CG-CZ 4.31Å
178	L	94.9	Very high	93.4	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-63.6	-42.7	171.4	-78.8	170.6	0	0	0	111.4	R174 I175 L181 S182 L315 H316 H502	R174-L178 HydrophobicContact CG-CD1 4.13Å; R174-L178 WeakPolarHBondContact O-CB 3.45Å; R174-L178 WeakPolarHBondContact O-CG 3.42Å; R174-L178 PolarHBondContact O-N 3.29Å; I175-L178 PolarHBondContact O-N 3.41Å; L178-L181 PolarHBondContact O-N 3.45Å; L178-S182 WeakPolarHBondContact O-CB 3.44Å; L178-S182 PolarHBondContact O-N 3.18Å; L178-L315 HydrophobicContact CD2-CB 3.64Å; L178-L315 HydrophobicContact CD2-CD1 4.46Å; L178-L315 HydrophobicContact CG-CB 4.04Å; L178-H316 HydrophobicContact CD2-CB 4.19Å; L178-H502 HydrophobicContact CB-CB 4.01Å
179	E	95.6	Very high	93.9	Very high	36 Å²	36	33.4 Å²	33.4	17%	0.168	17%	0.166	C	C	.	.	H	α-helix	trans	-66.9	-44.5	179.8	-174.7	56.4	-156	0	0	111.8	I175 N176 L181 S182 N183 H502 L503	I175-E179 WeakPolarHBondContact O-CB 3.32Å; I175-E179 PolarHBondContact O-N 2.8Å; N176-E179 PolarHBondContact O-N 2.95Å; E179-L181 PolarHBondContact O-N 2.99Å; E179-S182 WeakPolarHBondContact O-CB 3.37Å; E179-S182 PolarHBondContact O-N 3.45Å; E179-N183 PolarHBondContact O-N 3.47Å; E179-N183 PolarHBondContact O-ND2 3.04Å; E179-N183 PolarHBondContact OE1-ND2 3.26Å; E179-H502 IonicContact OE2-CE1 2.87Å; E179-H502 IonicContact OE2-CG 3.05Å; E179-H502 IonicContact OE2-ND1 2.62Å; E179-H502 PolarHBondContact OE2-ND1 3.47Å; E179-L503 HydrophobicContact CB-CD2 4.39Å; E179-L503 HydrophobicContact CG-CD2 4.09Å; E179-L503 HydrophobicContact CG-CG 4.29Å
180	Y	94	Very high	94.5	Very high	107 Å²	107	37 Å²	37	42%	0.42	18%	0.18	S	C	.	.	H	α-helix	trans	-58	-47.8	172.9	173.2	-88.5	0	0	0	111.6	N176 S182 N183 E184 F594 F596	N176-Y180 WeakPolarHBondContact O-CB 3.43Å; N176-Y180 PolarHBondContact O-N 2.88Å; Y180-S182 VanDerWaalsContact C-N 3.3Å; Y180-S182 PolarHBondContact O-N 3.39Å; Y180-N183 PolarHBondContact O-N 2.61Å; Y180-N183 VanDerWaalsContact O-N 3.1Å; Y180-E184 HydrophobicContact CD1-CG 4.2Å; Y180-E184 HydrophobicContact CE1-CG 3.73Å; Y180-E184 HydrophobicContact CE2-CG 4.26Å; Y180-E184 PolarHBondContact O-N 2.8Å; Y180-F594 HydrophobicContact CE1-CE1 4.13Å; Y180-F594 AromaticContact CE1-CZ 3.74Å; Y180-F594 HydrophobicContact CE1-CZ 3.74Å; Y180-F596 HydrophobicContact CD1-CD1 4.35Å; Y180-F596 AromaticContact CD1-CE1 3.51Å; Y180-F596 HydrophobicContact CD1-CE1 3.51Å; Y180-F596 HydrophobicContact CD1-CZ 4.38Å; Y180-F596 HydrophobicContact CE1-CD1 4.11Å; Y180-F596 AromaticContact CE1-CE1 3.6Å; Y180-F596 HydrophobicContact CE1-CE1 3.6Å
181	L	94.8	Very high	94.9	Very high	1 Å²	1	40.5 Å²	40.5	1%	0.005	20%	0.196	C	C	.	.	H	α-helix	trans	-63.7	-36.3	179.3	-168.9	63	0	0	0	112.5	Y177 L178 E179 L185 L308 I311 L312 L315 W322 F594	Y177-L181 WeakPolarHBondContact O-CB 3.35Å; Y177-L181 PolarHBondContact O-N 3.03Å; L178-L181 PolarHBondContact O-N 3.45Å; E179-L181 PolarHBondContact O-N 2.99Å; L181-L185 PolarHBondContact O-N 2.92Å; L181-L308 HydrophobicContact CD1-CD2 3.81Å; L181-L308 HydrophobicContact CG-CD2 4.49Å; L181-I311 HydrophobicContact CD1-CG2 4.38Å; L181-I311 HydrophobicContact CD2-CG2 3.96Å; L181-L312 HydrophobicContact CD2-CD2 3.41Å; L181-L312 VanDerWaalsContact CD2-CD2 3.41Å; L181-L312 HydrophobicContact CD2-CG 3.87Å; L181-L315 HydrophobicContact CD2-CD1 4.27Å; L181-W322 HydrophobicContact CB-CH2 4.43Å; L181-W322 HydrophobicContact CB-CZ2 4.34Å; L181-W322 HydrophobicContact CD2-CH2 4.09Å; L181-W322 HydrophobicContact CD2-CZ2 4.33Å; L181-W322 HydrophobicContact CG-CH2 3.87Å; L181-W322 HydrophobicContact CG-CZ2 4.22Å; L181-F594 HydrophobicContact CD1-CD1 4.25Å; L181-F594 HydrophobicContact CD1-CE1 4.27Å; L181-F594 HydrophobicContact CD1-CG 4.42Å; L181-F594 HydrophobicContact CD1-CZ 4.43Å
182	S	97.7	Very high	95.3	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-60.3	-48.1	171.2	156.6	0	0	0	0	110.8	L178 E179 Y180 E184 L185 Q186 Q326 K329 H502	L178-S182 WeakPolarHBondContact O-CB 3.44Å; L178-S182 PolarHBondContact O-N 3.18Å; E179-S182 WeakPolarHBondContact O-CB 3.37Å; E179-S182 PolarHBondContact O-N 3.45Å; Y180-S182 VanDerWaalsContact C-N 3.3Å; Y180-S182 PolarHBondContact O-N 3.39Å; S182-E184 PolarHBondContact O-N 3.38Å; S182-L185 PolarHBondContact O-N 3.01Å; S182-Q186 WeakPolarHBondContact O-CB 3.27Å; S182-Q186 VanDerWaalsContact O-CG 3.22Å; S182-Q186 WeakPolarHBondContact O-CG 3.49Å; S182-Q186 PolarHBondContact O-N 2.82Å; S182-Q326 PolarHBondContact OG-OE1 2.84Å; S182-K329 PolarHBondContact OG-NZ 2.85Å; S182-H502 WeakPolarHBondContact CB-CE1 3.49Å
183	N	97.6	Very high	95.7	Very high	80 Å²	80	36.1 Å²	36.1	43%	0.428	18%	0.175	S	C	.	.	H	α-helix	trans	-64.4	-40	-179.5	-69.8	-30.2	0	0	0	112.8	E179 Y180 Q186 S187	E179-N183 PolarHBondContact O-N 3.47Å; E179-N183 PolarHBondContact O-ND2 3.04Å; E179-N183 PolarHBondContact OE1-ND2 3.26Å; Y180-N183 PolarHBondContact O-N 2.61Å; Y180-N183 VanDerWaalsContact O-N 3.1Å; N183-Q186 PolarHBondContact O-N 2.53Å; N183-S187 WeakPolarHBondContact O-CB 3.48Å; N183-S187 PolarHBondContact O-N 3.32Å
184	E	95.8	Very high	96.1	Very high	84 Å²	84	36.2 Å²	36.2	39%	0.393	17%	0.174	S	C	.	.	H	α-helix	trans	-59.5	-48.3	172.6	-71.1	-59.5	128.8	0	0	111.5	Y180 S182 S187 E188 F594	Y180-E184 HydrophobicContact CD1-CG 4.2Å; Y180-E184 HydrophobicContact CE1-CG 3.73Å; Y180-E184 HydrophobicContact CE2-CG 4.26Å; Y180-E184 PolarHBondContact O-N 2.8Å; S182-E184 PolarHBondContact O-N 3.38Å; E184-S187 PolarHBondContact O-N 3.18Å; E184-E188 PolarHBondContact O-N 2.96Å; E184-F594 HydrophobicContact CG-CE2 4.49Å; E184-F594 HydrophobicContact CG-CZ 4.39Å
185	L	96.8	Very high	96.4	Very high	4 Å²	4	37 Å²	37	2%	0.021	18%	0.181	C	C	.	.	H	α-helix	trans	-65.2	-42.4	177.5	-179.6	58.2	0	0	0	111.8	L181 S182 S187 E188 L189 Y229 L308 W322 F323 Q326	L181-L185 PolarHBondContact O-N 2.92Å; S182-L185 PolarHBondContact O-N 3.01Å; L185-S187 VanDerWaalsContact C-N 3.33Å; L185-S187 PolarHBondContact O-N 3.17Å; L185-E188 WeakPolarHBondContact O-CB 3.4Å; L185-E188 PolarHBondContact O-N 2.7Å; L185-L189 HydrophobicContact CD1-CD1 4.46Å; L185-L189 HydrophobicContact CD1-CD2 4.37Å; L185-L189 HydrophobicContact CD1-CG 4.11Å; L185-L189 HydrophobicContact CG-CD1 4.15Å; L185-L189 HydrophobicContact CG-CG 4.27Å; L185-L189 VanDerWaalsContact O-CG 3.25Å; L185-L189 WeakPolarHBondContact O-CG 3.11Å; L185-L189 PolarHBondContact O-N 2.95Å; L185-Y229 HydrophobicContact CD1-CE2 3.98Å; L185-L308 HydrophobicContact CD2-CD1 4.33Å; L185-W322 HydrophobicContact CB-CH2 4.49Å; L185-W322 HydrophobicContact CD2-CH2 3.95Å; L185-W322 HydrophobicContact CD2-CZ3 3.76Å; L185-F323 HydrophobicContact CD2-CD2 3.91Å; L185-F323 HydrophobicContact CD2-CE2 4.14Å; L185-Q326 HydrophobicContact CD2-CB 3.66Å; L185-Q326 HydrophobicContact CD2-CG 3.95Å
186	Q	98.3	Very high	96.5	Very high	29 Å²	29	42.9 Å²	42.9	14%	0.136	22%	0.222	C	C	.	.	H	α-helix	trans	-62.6	-39.6	177.7	-69.1	-61.1	-45.8	0	0	111.8	S182 N183 E188 L189 F190 Q326	S182-Q186 WeakPolarHBondContact O-CB 3.27Å; S182-Q186 VanDerWaalsContact O-CG 3.22Å; S182-Q186 WeakPolarHBondContact O-CG 3.49Å; S182-Q186 PolarHBondContact O-N 2.82Å; N183-Q186 PolarHBondContact O-N 2.53Å; Q186-E188 VanDerWaalsContact C-N 3.34Å; Q186-L189 PolarHBondContact O-N 3.26Å; Q186-F190 WeakPolarHBondContact O-CB 3.32Å; Q186-F190 PolarHBondContact O-N 3.43Å; Q186-Q326 PolarHBondContact NE2-O 3.2Å
187	S	98.1	Very high	96.7	Very high	56 Å²	56	40.3 Å²	40.3	39%	0.392	21%	0.212	S	C	.	.	H	α-helix	trans	-61.1	-44.2	173.3	-179.4	0	0	0	0	111.3	N183 E184 L185 F190 Q191	N183-S187 WeakPolarHBondContact O-CB 3.48Å; N183-S187 PolarHBondContact O-N 3.32Å; E184-S187 PolarHBondContact O-N 3.18Å; L185-S187 VanDerWaalsContact C-N 3.33Å; L185-S187 PolarHBondContact O-N 3.17Å; S187-F190 WeakPolarHBondContact O-CB 3.24Å; S187-F190 PolarHBondContact O-N 3.01Å; S187-Q191 WeakPolarHBondContact O-CG 3.36Å; S187-Q191 PolarHBondContact O-N 3.36Å; S187-Q191 PolarHBondContact OG-NE2 3.27Å
188	E	97.2	Very high	97	Very high	4 Å²	4	38.1 Å²	38.1	2%	0.019	21%	0.205	C	C	.	.	H	α-helix	trans	-64.7	-47.3	177	-171.7	-170.9	178.3	0	0	112.4	E184 L185 Q186 F190 Q191 L192 Y229 G586 A587 R591	E184-E188 PolarHBondContact O-N 2.96Å; L185-E188 WeakPolarHBondContact O-CB 3.4Å; L185-E188 PolarHBondContact O-N 2.7Å; Q186-E188 VanDerWaalsContact C-N 3.34Å; E188-F190 PolarHBondContact O-N 3.39Å; E188-Q191 WeakPolarHBondContact O-CB 3.39Å; E188-Q191 PolarHBondContact O-N 2.94Å; E188-L192 PolarHBondContact O-N 3.01Å; E188-Y229 VanDerWaalsContact CD-OH 3.29Å; E188-Y229 HydrophobicContact CG-CE2 4.37Å; E188-Y229 PolarHBondContact OE1-OH 3.46Å; E188-Y229 PolarHBondContact OE2-OH 3.09Å; E188-G586 VanDerWaalsContact OE1-CA 3.24Å; E188-G586 WeakPolarHBondContact OE1-CA 3.28Å; E188-A587 HydrophobicContact CG-CB 3.64Å; E188-A587 PolarHBondContact OE1-N 3Å; E188-R591 VanDerWaalsContact CD-CZ 3.44Å; E188-R591 VanDerWaalsContact CD-NH1 3.29Å; E188-R591 IonicContact OE1-CZ 3.13Å; E188-R591 VanDerWaalsContact OE1-CZ 3.27Å; E188-R591 IonicContact OE1-NH1 3.73Å; E188-R591 IonicContact OE1-NH2 2.62Å; E188-R591 PolarHBondContact OE1-NH2 3.28Å; E188-R591 IonicContact OE2-CZ 3.64Å; E188-R591 IonicContact OE2-NH1 2.71Å; E188-R591 PolarHBondContact OE2-NH1 3.33Å; E188-R591 IonicContact OE2-NH2 3.99Å; E188-R591 PolarHBondContact OE2-NH2 3.3Å
189	L	98.5	Very high	97	Very high	0 Å²	0	41 Å²	41	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-57.6	-38.9	176.1	-67.6	174.8	0	0	0	110.5	L185 Q186 L192 Q193 F225 Y229 L327 F330	L185-L189 HydrophobicContact CD1-CD1 4.46Å; L185-L189 HydrophobicContact CD1-CD2 4.37Å; L185-L189 HydrophobicContact CD1-CG 4.11Å; L185-L189 HydrophobicContact CG-CD1 4.15Å; L185-L189 HydrophobicContact CG-CG 4.27Å; L185-L189 VanDerWaalsContact O-CG 3.25Å; L185-L189 WeakPolarHBondContact O-CG 3.11Å; L185-L189 PolarHBondContact O-N 2.95Å; Q186-L189 PolarHBondContact O-N 3.26Å; L189-L192 PolarHBondContact O-N 3.49Å; L189-Q193 WeakPolarHBondContact O-CB 3.44Å; L189-Q193 WeakPolarHBondContact O-CG 3.44Å; L189-Q193 PolarHBondContact O-N 3.3Å; L189-F225 HydrophobicContact CB-CZ 4.07Å; L189-F225 HydrophobicContact CD1-CE1 4.16Å; L189-F225 HydrophobicContact CD1-CZ 4.42Å; L189-F225 HydrophobicContact CD2-CE1 4.03Å; L189-F225 HydrophobicContact CD2-CE2 4.22Å; L189-F225 HydrophobicContact CD2-CZ 3.7Å; L189-F225 HydrophobicContact CG-CE1 4.48Å; L189-F225 HydrophobicContact CG-CZ 4.26Å; L189-Y229 HydrophobicContact CD2-CD2 3.55Å; L189-Y229 HydrophobicContact CD2-CE2 3.87Å; L189-Y229 HydrophobicContact CD2-CG 4.47Å; L189-L327 HydrophobicContact CD1-CD2 3.84Å; L189-L327 HydrophobicContact CD2-CD2 3.68Å; L189-L327 HydrophobicContact CG-CD2 4.42Å; L189-F330 HydrophobicContact CB-CD2 3.5Å; L189-F330 VanDerWaalsContact CB-CD2 3.5Å; L189-F330 HydrophobicContact CB-CE2 3.67Å; L189-F330 HydrophobicContact CB-CG 4.21Å; L189-F330 HydrophobicContact CB-CZ 4.45Å; L189-F330 HydrophobicContact CD1-CB 4.04Å; L189-F330 HydrophobicContact CD1-CD2 4.05Å; L189-F330 HydrophobicContact CD1-CG 4.23Å; L189-F330 HydrophobicContact CG-CD2 4.44Å
190	F	98.4	Very high	96.9	Very high	82 Å²	82	47.9 Å²	47.9	36%	0.36	25%	0.252	S	S	.	.	H	α-helix	trans	-62.8	-43.3	174.8	-177.1	-92.5	0	0	0	112.1	Q186 S187 E188 Q193 N194 Q258 F330	Q186-F190 WeakPolarHBondContact O-CB 3.32Å; Q186-F190 PolarHBondContact O-N 3.43Å; S187-F190 WeakPolarHBondContact O-CB 3.24Å; S187-F190 PolarHBondContact O-N 3.01Å; E188-F190 PolarHBondContact O-N 3.39Å; F190-Q193 PolarHBondContact O-N 3.03Å; F190-N194 HydrophobicContact CE1-CB 4.45Å; F190-N194 WeakPolarHBondContact CE2-ND2 3.17Å; F190-N194 WeakPolarHBondContact O-CB 3.26Å; F190-N194 PolarHBondContact O-N 3.37Å; F190-N194 PolarHBondContact O-ND2 3.26Å; F190-Q258 HydrophobicContact CE2-CG 4.3Å; F190-F330 HydrophobicContact CB-CE2 4.16Å
191	Q	98.1	Very high	97	Very high	81 Å²	81	43.2 Å²	43.2	38%	0.379	24%	0.236	S	C	.	.	H	α-helix	trans	-66	-43.4	176.8	-69.2	174.4	45.6	0	0	112.3	S187 E188 Q193 N194 A587 H588	S187-Q191 WeakPolarHBondContact O-CG 3.36Å; S187-Q191 PolarHBondContact O-N 3.36Å; S187-Q191 PolarHBondContact OG-NE2 3.27Å; E188-Q191 WeakPolarHBondContact O-CB 3.39Å; E188-Q191 PolarHBondContact O-N 2.94Å; Q191-Q193 PolarHBondContact O-N 3.41Å; Q191-N194 CarbonylContact O-C 3.52Å; Q191-N194 VanDerWaalsContact O-C 3.31Å; Q191-N194 PolarHBondContact O-N 3.5Å; Q191-A587 HydrophobicContact CB-CB 3.82Å; Q191-H588 PolarHBondContact OE1-CE1 3.47Å
192	L	97.9	Very high	97	Very high	9 Å²	9	47.4 Å²	47.4	5%	0.047	25%	0.254	C	S	.	.	H	α-helix	trans	-56.8	-39.7	174.7	-179.5	65	0	0	0	111.3	E188 L189 F225 Y229 R233 T234 A587	E188-L192 PolarHBondContact O-N 3.01Å; L189-L192 PolarHBondContact O-N 3.49Å; L192-F225 HydrophobicContact CD2-CE2 4.46Å; L192-Y229 HydrophobicContact CD2-CD2 3.81Å; L192-Y229 HydrophobicContact CD2-CG 4.46Å; L192-R233 WeakPolarHBondContact CD1-O 3.15Å; L192-R233 WeakPolarHBondContact CG-O 3.35Å; L192-T234 PolarHBondContact O-OG1 3Å; L192-A587 HydrophobicContact CB-CB 4.02Å
193	Q	98.4	Very high	96.9	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-79.3	-16.7	179	-71.3	-60.2	113.5	0	0	114.1	L189 F190 Q191 P195 F225 L235 L256 S257 F330	L189-Q193 WeakPolarHBondContact O-CB 3.44Å; L189-Q193 WeakPolarHBondContact O-CG 3.44Å; L189-Q193 PolarHBondContact O-N 3.3Å; F190-Q193 PolarHBondContact O-N 3.03Å; Q191-Q193 PolarHBondContact O-N 3.41Å; Q193-P195 WeakPolarHBondContact O-CD 3.23Å; Q193-F225 HydrophobicContact CG-CE2 4.02Å; Q193-F225 HydrophobicContact CG-CZ 4.04Å; Q193-L235 PolarHBondContact NE2-O 3.45Å; Q193-L256 WeakPolarHBondContact CB-O 3.35Å; Q193-L256 VanDerWaalsContact CG-O 3.31Å; Q193-L256 WeakPolarHBondContact CG-O 3.33Å; Q193-L256 PolarHBondContact NE2-O 3.15Å; Q193-S257 VanDerWaalsContact O-CB 3.23Å; Q193-S257 WeakPolarHBondContact O-CB 3.48Å; Q193-S257 PolarHBondContact O-OG 2.83Å; Q193-F330 HydrophobicContact CB-CE1 4.49Å; Q193-F330 HydrophobicContact CB-CZ 4.1Å; Q193-F330 HydrophobicContact CG-CE1 3.76Å; Q193-F330 HydrophobicContact CG-CZ 3.73Å
194	N	98.1	Very high	96.8	Very high	20 Å²	20	43.6 Å²	43.6	11%	0.107	23%	0.234	C	C	.	.	S	Bend	trans	-126.3	59.4	-176.3	-65.8	-79.8	0	0	0	111.7	F190 Q191 Q258 K259	F190-N194 HydrophobicContact CE1-CB 4.45Å; F190-N194 WeakPolarHBondContact CE2-ND2 3.17Å; F190-N194 WeakPolarHBondContact O-CB 3.26Å; F190-N194 PolarHBondContact O-N 3.37Å; F190-N194 PolarHBondContact O-ND2 3.26Å; Q191-N194 CarbonylContact O-C 3.52Å; Q191-N194 VanDerWaalsContact O-C 3.31Å; Q191-N194 PolarHBondContact O-N 3.5Å; N194-Q258 PolarHBondContact OD1-N 3Å; N194-K259 WeakPolarHBondContact O-CE 3.1Å; N194-K259 PolarHBondContact O-NZ 2.89Å
195	P	96.9	Very high	96.8	Very high	28 Å²	28	39.8 Å²	39.8	18%	0.182	22%	0.216	C	C	.	.			trans	-62.1	153	-177.4	29.2	-37.8	0	0	0	112.2	Q193 S197 A201 T234 K259	Q193-P195 WeakPolarHBondContact O-CD 3.23Å; P195-S197 PolarHBondContact O-N 3.18Å; P195-A201 HydrophobicContact CB-CB 3.98Å; P195-A201 HydrophobicContact CG-CB 3.48Å; P195-A201 VanDerWaalsContact CG-CB 3.48Å; P195-T234 WeakPolarHBondContact CD-OG1 3.24Å; P195-K259 WeakPolarHBondContact O-CE 3.41Å; P195-K259 PolarHBondContact O-NZ 2.84Å
196	S	95.7	Very high	96.7	Very high	130 Å²	130	39.6 Å²	39.6	91%	0.909	22%	0.215	S	C	*	.	S	Bend	trans	-54.8	-31.2	-175.8	56.9	0	0	0	0	114.4
197	S	96.7	Very high	96.5	Very high	34 Å²	34	38.8 Å²	38.8	24%	0.238	21%	0.213	C	C	.	.			trans	-138	117.1	175.9	167.8	0	0	0	0	110	P195 T199 K200 A201	P195-S197 PolarHBondContact O-N 3.18Å; S197-T199 PolarHBondContact OG-OG1 2.62Å; S197-K200 PolarHBondContact O-N 3.13Å; S197-K200 WeakPolarHBondContact OG-CG 3.42Å; S197-K200 PolarHBondContact OG-N 3.45Å; S197-A201 WeakPolarHBondContact O-CB 3.32Å; S197-A201 PolarHBondContact O-N 2.92Å; S197-A201 VanDerWaalsContact O-N 3.08Å
198	C	97.7	Very high	96.2	Very high	16 Å²	16	36.2 Å²	36.2	11%	0.108	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-43.2	177.5	-61	0	0	0	0	111.3	K200 A201 Y203 C260 D264	C198-K200 PolarHBondContact O-N 3.41Å; C198-K200 VanDerWaalsContact O-N 3.11Å; C198-A201 WeakPolarHBondContact O-CB 3.36Å; C198-A201 PolarHBondContact O-N 3.42Å; C198-Y203 VanDerWaalsContact C-OH 3.25Å; C198-Y203 VanDerWaalsContact CA-OH 3.27Å; C198-Y203 WeakPolarHBondContact CA-OH 3.34Å; C198-Y203 WeakPolarHBondContact CB-OH 3.44Å; C198-Y203 WeakPolarHBondContact O-CE2 3.48Å; C198-Y203 PolarHBondContact O-OH 3.35Å; C198-C260 VanDerWaalsContact CA-SG 3.57Å; C198-C260 HydrophobicContact CB-CB 3.79Å; C198-C260 WeakPolarHBondContact CB-SG 3.34Å; C198-C260 WeakPolarHBondContact SG-CA 3.29Å; C198-C260 WeakPolarHBondContact SG-CB 3.43Å; C198-C260 PolarHBondContact SG-N 3.39Å; C198-C260 CovalentContact SG-SG 2.05Å; C198-C260 PolarHBondContact SG-SG 2.8Å; C198-D264 HydrophobicContact CB-CB 3.7Å
199	T	95.6	Very high	95.8	Very high	59 Å²	59	40.6 Å²	40.6	36%	0.362	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-22.7	178	53.5	0	0	0	0	114.7	S197 Q283	S197-T199 PolarHBondContact OG-OG1 2.62Å; T199-Q283 PolarHBondContact O-NE2 3.15Å
200	K	93.6	Very high	95.2	Very high	181 Å²	181	42.2 Å²	42.2	79%	0.787	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-98.6	-10.4	175.4	-65.4	180	-179	-179.5	0	113.6	S197 C198	S197-K200 PolarHBondContact O-N 3.13Å; S197-K200 WeakPolarHBondContact OG-CG 3.42Å; S197-K200 PolarHBondContact OG-N 3.45Å; C198-K200 PolarHBondContact O-N 3.41Å; C198-K200 VanDerWaalsContact O-N 3.11Å
201	A	95.3	Very high	94.6	Very high	10 Å²	10	44 Å²	44	8%	0.083	24%	0.244	C	C	.	.			trans	-70.8	155.9	-178.4	0	0	0	0	0	110.9	P195 S197 C198 Y203 Q283	P195-A201 HydrophobicContact CB-CB 3.98Å; P195-A201 HydrophobicContact CG-CB 3.48Å; P195-A201 VanDerWaalsContact CG-CB 3.48Å; S197-A201 WeakPolarHBondContact O-CB 3.32Å; S197-A201 PolarHBondContact O-N 2.92Å; S197-A201 VanDerWaalsContact O-N 3.08Å; C198-A201 WeakPolarHBondContact O-CB 3.36Å; C198-A201 PolarHBondContact O-N 3.42Å; A201-Y203 HydrophobicContact CB-CE1 4.4Å; A201-Y203 HydrophobicContact CB-CE2 3.95Å; A201-Y203 WeakPolarHBondContact O-CD2 3.46Å; A201-Y203 WeakPolarHBondContact O-CE2 2.96Å; A201-Q283 VanDerWaalsContact O-CG 3.24Å; A201-Q283 WeakPolarHBondContact O-CG 3.41Å
202	K	94.7	Very high	94.1	Very high	89 Å²	89	42 Å²	42	39%	0.387	24%	0.238	S	C	.	.			trans	-100.6	146.4	169.6	-67.4	-174.3	-176.7	177.8	0	109.4	R233 T234 N280 Q283	K202-R233 HydrophobicContact CB-CG 3.82Å; K202-R233 CarbonylContact O-C 3.52Å; K202-R233 WeakPolarHBondContact O-CA 3.44Å; K202-T234 PolarHBondContact O-N 3.41Å; K202-N280 PolarHBondContact NZ-O 3.07Å; K202-Q283 CarbonylContact C-O 3.48Å; K202-Q283 WeakPolarHBondContact CA-O 3.28Å
203	Y	96	Very high	93.7	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	143.7	-168.5	-64.5	-79.9	0	0	0	112.6	C198 A201 R233 T234 I236 C260 I265 Q283 I285	C198-Y203 VanDerWaalsContact C-OH 3.25Å; C198-Y203 VanDerWaalsContact CA-OH 3.27Å; C198-Y203 WeakPolarHBondContact CA-OH 3.34Å; C198-Y203 WeakPolarHBondContact CB-OH 3.44Å; C198-Y203 WeakPolarHBondContact O-CE2 3.48Å; C198-Y203 PolarHBondContact O-OH 3.35Å; A201-Y203 HydrophobicContact CB-CE1 4.4Å; A201-Y203 HydrophobicContact CB-CE2 3.95Å; A201-Y203 WeakPolarHBondContact O-CD2 3.46Å; A201-Y203 WeakPolarHBondContact O-CE2 2.96Å; Y203-R233 PolarHBondContact O-NH1 2.87Å; Y203-R233 VanDerWaalsContact O-NH1 3.1Å; Y203-T234 CarbonylContact C-O 3.57Å; Y203-T234 VanDerWaalsContact CA-O 3.22Å; Y203-T234 WeakPolarHBondContact CA-O 3.44Å; Y203-T234 HydrophobicContact CD1-CG2 4.05Å; Y203-T234 HydrophobicContact CE1-CG2 3.85Å; Y203-I236 HydrophobicContact CD1-CD1 4.49Å; Y203-I236 HydrophobicContact CD1-CG1 3.51Å; Y203-I236 HydrophobicContact CE1-CD1 4.29Å; Y203-I236 HydrophobicContact CE1-CG1 3.75Å; Y203-C260 HydrophobicContact CE1-CB 4.17Å; Y203-I265 HydrophobicContact CD2-CD1 4.36Å; Y203-I265 HydrophobicContact CD2-CG1 3.73Å; Y203-I265 HydrophobicContact CE2-CG1 4.03Å; Y203-I265 HydrophobicContact CG-CD1 4.27Å; Y203-I265 HydrophobicContact CG-CG1 4.11Å; Y203-Q283 HydrophobicContact CD2-CG 4.38Å; Y203-Q283 PolarHBondContact N-O 2.76Å; Y203-I285 WeakPolarHBondContact O-CG1 3.24Å; Y203-I285 PolarHBondContact O-N 3.03Å
204	V	95.6	Very high	93.4	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	123.8	154.1	173.5	0	0	0	0	106.3	C224 M227 A228 R233 T234 L235 I236 I285 C287	V204-C224 HydrophobicContact CG1-CB 4.41Å; V204-M227 HydrophobicContact CG1-SD 4.33Å; V204-M227 HydrophobicContact CG2-CG 4.31Å; V204-M227 HydrophobicContact CG2-SD 4.46Å; V204-A228 HydrophobicContact CB-CB 4.01Å; V204-A228 HydrophobicContact CG2-CB 3.91Å; V204-R233 HydrophobicContact CG2-CB 3.91Å; V204-R233 HydrophobicContact CG2-CG 4.41Å; V204-T234 PolarHBondContact N-O 3.45Å; V204-L235 HydrophobicContact CB-CD1 4.23Å; V204-L235 HydrophobicContact CG1-CD1 3.95Å; V204-L235 CarbonylContact O-C 3.56Å; V204-L235 WeakPolarHBondContact O-CA 3.28Å; V204-I236 PolarHBondContact O-N 3.06Å; V204-I285 CarbonylContact C-O 3.37Å; V204-I285 WeakPolarHBondContact CA-O 3.45Å; V204-I285 HydrophobicContact CG2-CD1 4.05Å; V204-I285 HydrophobicContact CG2-CG1 4.04Å; V204-C287 HydrophobicContact CG1-CB 3.74Å
205	V	95.6	Very high	93.2	Very high	3 Å²	3	42.9 Å²	42.9	2%	0.018	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	128.1	178	-175.8	0	0	0	0	108.4	I236 D238 I265 I269 A284 I285 C287	V205-I236 CarbonylContact C-O 3.6Å; V205-I236 WeakPolarHBondContact CA-O 3.29Å; V205-D238 HydrophobicContact CG1-CB 3.9Å; V205-I265 HydrophobicContact CG2-CD1 3.72Å; V205-I269 HydrophobicContact CB-CG2 4.25Å; V205-I269 HydrophobicContact CG1-CD1 4.27Å; V205-I269 HydrophobicContact CG2-CD1 4.12Å; V205-I269 HydrophobicContact CG2-CG1 4.3Å; V205-I269 HydrophobicContact CG2-CG2 4.19Å; V205-A284 HydrophobicContact CG2-CB 4.34Å; V205-I285 PolarHBondContact N-O 3.35Å; V205-C287 WeakPolarHBondContact O-CB 3.24Å; V205-C287 PolarHBondContact O-N 3.18Å
206	A	95.2	Very high	93	Very high	1 Å²	1	42.9 Å²	42.9	1%	0.008	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	146.1	-178.7	0	0	0	0	0	111.6	L221 C224 L235 I236 L237 D238 C287	A206-L221 HydrophobicContact CB-CD1 3.98Å; A206-C224 HydrophobicContact CB-CB 3.95Å; A206-L235 HydrophobicContact CB-CD1 3.88Å; A206-I236 PolarHBondContact N-O 2.78Å; A206-L237 HydrophobicContact CB-CD2 4.41Å; A206-L237 CarbonylContact O-C 3.57Å; A206-L237 WeakPolarHBondContact O-CA 3.09Å; A206-D238 PolarHBondContact O-N 2.97Å; A206-C287 HydrophobicContact CB-CB 4.28Å
207	S	92.4	Very high	93	Very high	12 Å²	12	36.7 Å²	36.7	8%	0.084	21%	0.206	C	C	.	.			trans	-129.6	138.7	-179.3	-68.9	0	0	0	0	109.1	H220 D238 D241	S207-H220 PolarHBondContact O-CD2 3.45Å; S207-D238 WeakPolarHBondContact OG-CB 3.27Å; S207-D241 VanDerWaalsContact CB-OD2 3.26Å; S207-D241 WeakPolarHBondContact CB-OD2 3.21Å
208	L	92.9	Very high	93	Very high	1 Å²	1	35 Å²	35	1%	0.005	20%	0.195	C	C	.	.			trans	-105	37.6	-177.5	-50.9	-175.6	0	0	0	112	R210 N217 L221 L237 D241 Y245 T246 W249	L208-R210 VanDerWaalsContact C-N 3.33Å; L208-N217 WeakPolarHBondContact CA-OD1 3.41Å; L208-N217 HydrophobicContact CB-CB 4.19Å; L208-N217 HydrophobicContact CD2-CB 4.43Å; L208-N217 PolarHBondContact O-OD1 2.93Å; L208-N217 VanDerWaalsContact O-OD1 3.11Å; L208-L221 HydrophobicContact CD1-CD2 4.42Å; L208-L221 HydrophobicContact CD2-CB 3.95Å; L208-L221 HydrophobicContact CD2-CD1 4.31Å; L208-L221 HydrophobicContact CD2-CG 4.49Å; L208-L237 HydrophobicContact CD1-CD2 4.35Å; L208-L237 HydrophobicContact CD2-CD2 4.39Å; L208-L237 HydrophobicContact CG-CD2 4.1Å; L208-D241 PolarHBondContact N-OD2 3.26Å; L208-Y245 WeakPolarHBondContact O-CB 3.28Å; L208-T246 WeakPolarHBondContact CB-OG1 3.41Å; L208-T246 PolarHBondContact N-OG1 3.48Å; L208-W249 HydrophobicContact CD1-CB 3.95Å; L208-W249 HydrophobicContact CD1-CD2 3.83Å; L208-W249 HydrophobicContact CD1-CE3 3.49Å; L208-W249 VanDerWaalsContact CD1-CE3 3.49Å; L208-W249 HydrophobicContact CD1-CG 4.04Å; L208-W249 HydrophobicContact CD1-CZ3 4.28Å
209	N	88.2	Confident	93	Very high	96 Å²	96	34.6 Å²	34.6	51%	0.513	19%	0.191	S	C	.	.			trans	-86.1	8.4	177.6	57	20.2	0	0	0	114.9	D241	N209-D241 VanDerWaalsContact CB-OD1 3.27Å; N209-D241 WeakPolarHBondContact CB-OD1 3.49Å; N209-D241 WeakPolarHBondContact CB-OD2 3.45Å; N209-D241 VanDerWaalsContact CG-OD1 3.32Å; N209-D241 PolarHBondContact N-OD2 3.23Å; N209-D241 VanDerWaalsContact N-OD2 3.14Å; N209-D241 PolarHBondContact ND2-OD1 3.3Å
210	R	87	Confident	93.1	Very high	35 Å²	35	32.6 Å²	32.6	13%	0.132	18%	0.177	C	C	.	.			trans	-59.2	140	-176	-66.2	-176.4	167.1	-115.9	9.8	110	L208 C212 N217 H220 R289	L208-R210 VanDerWaalsContact C-N 3.33Å; R210-C212 WeakPolarHBondContact CB-SG 3.31Å; R210-C212 PolarHBondContact O-N 3.03Å; R210-N217 WeakPolarHBondContact CB-OD1 3.45Å; R210-N217 PolarHBondContact N-OD1 2.86Å; R210-N217 PolarHBondContact O-ND2 2.89Å; R210-H220 PolarHBondContact NE-CD2 3.2Å; R210-H220 PolarHBondContact NE-ND1 3.14Å; R210-H220 PolarHBondContact NH2-CE1 3.45Å; R210-H220 VanDerWaalsContact NH2-CE1 3.34Å; R210-H220 PolarHBondContact NH2-ND1 2.84Å; R210-R289 VanDerWaalsContact NH2-CG 3.3Å
211	P	85.8	Confident	93.3	Very high	119 Å²	119	24 Å²	24	77%	0.773	14%	0.14	S	C	*	.	S	Bend	trans	-76.1	49.8	-178.5	33.8	-37.7	0	0	0	111.7
212	C	87	Confident	93.4	Very high	38 Å²	38	23.6 Å²	23.6	26%	0.257	14%	0.136	S	C	.	.	S	Bend	trans	-144.2	165.6	-178.7	57.3	0	0	0	0	110	R210 C216 N217 Y245	R210-C212 WeakPolarHBondContact CB-SG 3.31Å; R210-C212 PolarHBondContact O-N 3.03Å; C212-C216 HydrophobicContact CB-CB 3.52Å; C212-C216 WeakPolarHBondContact CB-SG 3.41Å; C212-C216 WeakPolarHBondContact SG-CB 3.3Å; C212-C216 CovalentContact SG-SG 2.03Å; C212-C216 PolarHBondContact SG-SG 3.35Å; C212-N217 PolarHBondContact O-ND2 3.25Å; C212-N217 VanDerWaalsContact O-ND2 3.14Å; C212-Y245 WeakPolarHBondContact O-CE2 3.49Å
213	A	88.7	Confident	93.5	Very high	40 Å²	40	19.4 Å²	19.4	33%	0.331	12%	0.118	S	C	.	.			trans	-70.4	173	-176.1	0	0	0	0	0	113.4	G215 C216 N217	A213-G215 VanDerWaalsContact C-N 3.34Å; A213-G215 PolarHBondContact O-N 3.31Å; A213-G215 VanDerWaalsContact O-N 3.16Å; A213-C216 WeakPolarHBondContact O-CB 2.98Å; A213-C216 PolarHBondContact O-N 2.94Å; A213-N217 PolarHBondContact O-N 3.47Å
214	F	92.2	Very high	93.6	Very high	5 Å²	5	19.4 Å²	19.4	2%	0.022	12%	0.118	C	C	.	.	H	α-helix	trans	-43	-52	-177.4	178.8	-98.2	0	0	0	114.2	C216 N217 A218 Y245 W248 W249 F253 M332 I466 V469 V470 L493	F214-C216 PolarHBondContact O-N 2.61Å; F214-N217 PolarHBondContact O-N 3.44Å; F214-A218 HydrophobicContact CE1-CB 4.27Å; F214-A218 HydrophobicContact CZ-CB 4.46Å; F214-A218 PolarHBondContact O-N 3.44Å; F214-Y245 HydrophobicContact CB-CD1 4.46Å; F214-Y245 HydrophobicContact CB-CE1 3.8Å; F214-Y245 HydrophobicContact CD2-CD1 4.08Å; F214-Y245 HydrophobicContact CD2-CE1 4.18Å; F214-Y245 PolarHBondContact N-OH 3.19Å; F214-W248 HydrophobicContact CE2-CE3 4.24Å; F214-W248 AromaticContact CE2-CZ3 3.81Å; F214-W248 HydrophobicContact CE2-CZ3 3.81Å; F214-W248 HydrophobicContact CZ-CZ3 4.49Å; F214-W249 HydrophobicContact CD2-CZ3 4.47Å; F214-W249 AromaticContact CE2-CE3 3.84Å; F214-W249 HydrophobicContact CE2-CE3 3.84Å; F214-W249 HydrophobicContact CE2-CH2 4.44Å; F214-W249 AromaticContact CE2-CZ3 3.55Å; F214-W249 HydrophobicContact CE2-CZ3 3.55Å; F214-W249 HydrophobicContact CZ-CE3 4.34Å; F214-W249 HydrophobicContact CZ-CH2 4.14Å; F214-W249 AromaticContact CZ-CZ3 3.67Å; F214-W249 HydrophobicContact CZ-CZ3 3.67Å; F214-F253 HydrophobicContact CZ-CE2 4.37Å; F214-M332 HydrophobicContact CE1-CE 4.02Å; F214-M332 HydrophobicContact CZ-CE 3.92Å; F214-I466 HydrophobicContact CB-CG2 4.49Å; F214-I466 HydrophobicContact CD2-CG2 3.68Å; F214-I466 HydrophobicContact CE2-CG2 4.27Å; F214-I466 HydrophobicContact CG-CG2 4.26Å; F214-V469 HydrophobicContact CD1-CG1 4.2Å; F214-V470 HydrophobicContact CD1-CG2 4.04Å; F214-V470 HydrophobicContact CD2-CG2 4.15Å; F214-V470 HydrophobicContact CE1-CG2 3.55Å; F214-V470 HydrophobicContact CE2-CG2 3.67Å; F214-V470 HydrophobicContact CG-CG2 4.33Å; F214-V470 HydrophobicContact CZ-CG2 3.36Å; F214-L493 HydrophobicContact CE1-CD2 3.97Å
215	G	93.6	Very high	93.7	Very high	3 Å²	3	19.4 Å²	19.4	3%	0.031	12%	0.119	C	C	.	.	H	α-helix	trans	-58.4	-33.9	-177.6	0	0	0	0	0	113.7	A213 H219	A213-G215 VanDerWaalsContact C-N 3.34Å; A213-G215 PolarHBondContact O-N 3.31Å; A213-G215 VanDerWaalsContact O-N 3.16Å; G215-H219 PolarHBondContact O-N 3.44Å; G215-H219 VanDerWaalsContact O-N 3.16Å; G215-H219 PolarHBondContact O-ND1 2.96Å
216	C	93.8	Very high	93.8	Very high	28 Å²	28	19.3 Å²	19.3	19%	0.189	12%	0.118	C	C	.	.	H	α-helix	trans	-71.9	-38.6	176.3	168.7	0	0	0	0	112.2	C212 A213 F214 H220 Q489	C212-C216 HydrophobicContact CB-CB 3.52Å; C212-C216 WeakPolarHBondContact CB-SG 3.41Å; C212-C216 WeakPolarHBondContact SG-CB 3.3Å; C212-C216 CovalentContact SG-SG 2.03Å; C212-C216 PolarHBondContact SG-SG 3.35Å; A213-C216 WeakPolarHBondContact O-CB 2.98Å; A213-C216 PolarHBondContact O-N 2.94Å; F214-C216 PolarHBondContact O-N 2.61Å; C216-H220 PolarHBondContact O-N 3.29Å; C216-H220 VanDerWaalsContact O-N 3.09Å; C216-Q489 HydrophobicContact CB-CG 4.31Å
217	N	94.9	Very high	93.8	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-69	-37	173.6	-81.1	-66.3	0	0	0	112.3	L208 R210 C212 A213 F214 H220 L221 Y245	L208-N217 WeakPolarHBondContact CA-OD1 3.41Å; L208-N217 HydrophobicContact CB-CB 4.19Å; L208-N217 HydrophobicContact CD2-CB 4.43Å; L208-N217 PolarHBondContact O-OD1 2.93Å; L208-N217 VanDerWaalsContact O-OD1 3.11Å; R210-N217 WeakPolarHBondContact CB-OD1 3.45Å; R210-N217 PolarHBondContact N-OD1 2.86Å; R210-N217 PolarHBondContact O-ND2 2.89Å; C212-N217 PolarHBondContact O-ND2 3.25Å; C212-N217 VanDerWaalsContact O-ND2 3.14Å; A213-N217 PolarHBondContact O-N 3.47Å; F214-N217 PolarHBondContact O-N 3.44Å; N217-H220 WeakPolarHBondContact O-CB 3.35Å; N217-H220 PolarHBondContact O-N 3.12Å; N217-L221 PolarHBondContact O-N 3.39Å; N217-Y245 HydrophobicContact CB-CD2 4.4Å; N217-Y245 HydrophobicContact CB-CG 4.47Å; N217-Y245 WeakPolarHBondContact ND2-CD2 3.33Å
218	A	97.7	Very high	94	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-60.3	-49.6	174	0	0	0	0	0	112	F214 H220 L221 M222 W249 L493	F214-A218 HydrophobicContact CE1-CB 4.27Å; F214-A218 HydrophobicContact CZ-CB 4.46Å; F214-A218 PolarHBondContact O-N 3.44Å; A218-H220 VanDerWaalsContact C-N 3.29Å; A218-H220 PolarHBondContact O-N 2.94Å; A218-L221 PolarHBondContact O-N 2.73Å; A218-L221 VanDerWaalsContact O-N 3.14Å; A218-M222 VanDerWaalsContact O-CG 3.31Å; A218-M222 WeakPolarHBondContact O-CG 3.18Å; A218-M222 PolarHBondContact O-N 2.84Å; A218-W249 HydrophobicContact CB-CH2 3.8Å; A218-W249 HydrophobicContact CB-CZ3 3.89Å; A218-L493 HydrophobicContact CB-CD1 4.32Å; A218-L493 HydrophobicContact CB-CD2 3.74Å
219	H	98.1	Very high	94.2	Very high	7 Å²	7	18.6 Å²	18.6	3%	0.032	11%	0.113	C	C	.	.	H	α-helix	trans	-63.6	-35	176.2	-73.4	88.2	0	0	0	112.3	G215 L221 M222 H223 Q489 E496 F521	G215-H219 PolarHBondContact O-N 3.44Å; G215-H219 VanDerWaalsContact O-N 3.16Å; G215-H219 PolarHBondContact O-ND1 2.96Å; H219-L221 VanDerWaalsContact C-N 3.34Å; H219-M222 PolarHBondContact O-N 3.39Å; H219-H223 WeakPolarHBondContact O-CB 3.49Å; H219-H223 PolarHBondContact O-N 3.48Å; H219-Q489 PolarHBondContact CE1-O 3.23Å; H219-Q489 VanDerWaalsContact CE1-O 3.25Å; H219-Q489 PolarHBondContact CE1-OE1 2.99Å; H219-Q489 VanDerWaalsContact CE1-OE1 3.28Å; H219-Q489 PolarHBondContact ND1-OE1 3.29Å; H219-E496 IonicContact CD2-OE1 3.93Å; H219-E496 IonicContact CD2-OE2 2.71Å; H219-E496 IonicContact NE2-OE1 3.35Å; H219-E496 PolarHBondContact NE2-OE1 3.32Å; H219-E496 IonicContact NE2-OE2 3.41Å; H219-E496 PolarHBondContact NE2-OE2 2.95Å; H219-F521 HydrophobicContact CB-CE2 4.45Å; H219-F521 HydrophobicContact CB-CZ 4.1Å; H219-F521 AromaticContact CD2-CE2 3.63Å; H219-F521 WeakPolarHBondContact O-CZ 3.45Å
220	H	96.7	Very high	94.5	Very high	16 Å²	16	14.3 Å²	14.3	7%	0.074	9%	0.091	C	C	.	.	H	α-helix	trans	-60.4	-46	172.9	178.7	41.2	0	0	0	111.5	S207 R210 C216 N217 A218 M222 H223 C224	S207-H220 PolarHBondContact O-CD2 3.45Å; R210-H220 PolarHBondContact NE-CD2 3.2Å; R210-H220 PolarHBondContact NE-ND1 3.14Å; R210-H220 PolarHBondContact NH2-CE1 3.45Å; R210-H220 VanDerWaalsContact NH2-CE1 3.34Å; R210-H220 PolarHBondContact NH2-ND1 2.84Å; C216-H220 PolarHBondContact O-N 3.29Å; C216-H220 VanDerWaalsContact O-N 3.09Å; N217-H220 WeakPolarHBondContact O-CB 3.35Å; N217-H220 PolarHBondContact O-N 3.12Å; A218-H220 VanDerWaalsContact C-N 3.29Å; A218-H220 PolarHBondContact O-N 2.94Å; H220-M222 VanDerWaalsContact C-N 3.34Å; H220-M222 PolarHBondContact O-N 3.25Å; H220-H223 WeakPolarHBondContact O-CB 3.13Å; H220-H223 PolarHBondContact O-N 3.08Å; H220-C224 PolarHBondContact CE1-SG 3.1Å; H220-C224 PolarHBondContact O-N 2.9Å; H220-C224 PolarHBondContact O-SG 3.34Å
221	L	97.9	Very high	94.8	Very high	0 Å²	0	13.6 Å²	13.6	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-63.4	-40.2	178.1	-168.5	57.3	0	0	0	112.1	A206 L208 N217 A218 H219 C224 F225 L235 L237 W249 L256 L331	A206-L221 HydrophobicContact CB-CD1 3.98Å; L208-L221 HydrophobicContact CD1-CD2 4.42Å; L208-L221 HydrophobicContact CD2-CB 3.95Å; L208-L221 HydrophobicContact CD2-CD1 4.31Å; L208-L221 HydrophobicContact CD2-CG 4.49Å; N217-L221 PolarHBondContact O-N 3.39Å; A218-L221 PolarHBondContact O-N 2.73Å; A218-L221 VanDerWaalsContact O-N 3.14Å; H219-L221 VanDerWaalsContact C-N 3.34Å; L221-C224 PolarHBondContact O-N 2.68Å; L221-F225 WeakPolarHBondContact O-CB 3.35Å; L221-F225 PolarHBondContact O-N 2.91Å; L221-L235 HydrophobicContact CD1-CD2 3.9Å; L221-L237 HydrophobicContact CD1-CD2 3.62Å; L221-L237 HydrophobicContact CD1-CG 4.46Å; L221-L237 HydrophobicContact CD2-CD2 4.34Å; L221-W249 HydrophobicContact CD2-CD2 3.95Å; L221-W249 VanDerWaalsContact CD2-CE2 3.46Å; L221-W249 HydrophobicContact CD2-CE3 4.43Å; L221-W249 HydrophobicContact CD2-CH2 4.11Å; L221-W249 HydrophobicContact CD2-CZ2 3.58Å; L221-L256 HydrophobicContact CD1-CD1 4.5Å; L221-L331 HydrophobicContact CB-CD1 4.35Å; L221-L331 HydrophobicContact CD2-CB 4.44Å; L221-L331 HydrophobicContact CD2-CD1 4.3Å; L221-L331 HydrophobicContact CD2-CD2 4Å; L221-L331 HydrophobicContact CD2-CG 4.47Å; L221-L331 HydrophobicContact CG-CD1 3.91Å; L221-L331 HydrophobicContact CG-CD2 3.96Å; L221-L331 HydrophobicContact CG-CG 4.45Å
222	M	98.6	Very high	95.2	Very high	2 Å²	2	9.3 Å²	9.3	1%	0.01	7%	0.067	C	C	.	.	H	α-helix	trans	-62.5	-41.3	175.2	-66.9	167.2	80.7	0	0	111.9	A218 H219 H220 F225 Q226 I324 L331 L493 E496	A218-M222 VanDerWaalsContact O-CG 3.31Å; A218-M222 WeakPolarHBondContact O-CG 3.18Å; A218-M222 PolarHBondContact O-N 2.84Å; H219-M222 PolarHBondContact O-N 3.39Å; H220-M222 VanDerWaalsContact C-N 3.34Å; H220-M222 PolarHBondContact O-N 3.25Å; M222-F225 PolarHBondContact O-N 1.98Å; M222-Q226 PolarHBondContact O-N 3.09Å; M222-I324 HydrophobicContact CB-CD1 3.82Å; M222-I324 HydrophobicContact CB-CG1 4.39Å; M222-I324 HydrophobicContact CE-CB 4.36Å; M222-I324 HydrophobicContact CE-CD1 4.24Å; M222-I324 HydrophobicContact CE-CG1 3.7Å; M222-I324 HydrophobicContact CE-CG2 4.45Å; M222-I324 WeakPolarHBondContact CE-O 3.1Å; M222-L331 HydrophobicContact CB-CD1 4.31Å; M222-L331 HydrophobicContact CG-CD1 3.72Å; M222-L493 HydrophobicContact CE-CD1 4.45Å; M222-L493 HydrophobicContact SD-CD1 3.71Å; M222-E496 HydrophobicContact CE-CB 4.43Å; M222-E496 WeakPolarHBondContact CE-OE2 3.47Å
223	H	96.7	Very high	95.6	Very high	1 Å²	1	7.5 Å²	7.5	1%	0.005	6%	0.055	C	C	.	.	H	α-helix	trans	-61.6	-46.8	172.2	165.8	65.9	0	0	0	112.1	H219 H220 F225 Q226 M227 F521	H219-H223 WeakPolarHBondContact O-CB 3.49Å; H219-H223 PolarHBondContact O-N 3.48Å; H220-H223 WeakPolarHBondContact O-CB 3.13Å; H220-H223 PolarHBondContact O-N 3.08Å; H223-F225 PolarHBondContact O-N 2.71Å; H223-Q226 WeakPolarHBondContact O-CB 3.46Å; H223-Q226 PolarHBondContact O-N 2.62Å; H223-M227 PolarHBondContact O-N 3Å; H223-F521 HydrophobicContact CB-CE1 4.09Å; H223-F521 HydrophobicContact CB-CZ 4.14Å
224	C	97	Very high	96	Very high	0 Å²	0	5.9 Å²	5.9	0%	0	4%	0.041	C	C	.	.	H	α-helix	trans	-61	-35.5	175.9	-61.3	0	0	0	0	111.7	V204 A206 H220 L221 M227 A228 L235 C287	V204-C224 HydrophobicContact CG1-CB 4.41Å; A206-C224 HydrophobicContact CB-CB 3.95Å; H220-C224 PolarHBondContact CE1-SG 3.1Å; H220-C224 PolarHBondContact O-N 2.9Å; H220-C224 PolarHBondContact O-SG 3.34Å; L221-C224 PolarHBondContact O-N 2.68Å; C224-M227 WeakPolarHBondContact O-CB 3.49Å; C224-M227 PolarHBondContact O-N 2.96Å; C224-A228 WeakPolarHBondContact O-CB 3.27Å; C224-A228 PolarHBondContact O-N 3.45Å; C224-L235 HydrophobicContact CB-CD1 3.89Å; C224-C287 WeakPolarHBondContact CA-SG 3.47Å; C224-C287 HydrophobicContact CB-CB 3.77Å; C224-C287 WeakPolarHBondContact CB-SG 3.34Å; C224-C287 WeakPolarHBondContact SG-CB 3.48Å; C224-C287 CovalentContact SG-SG 2.03Å; C224-C287 PolarHBondContact SG-SG 3.45Å
225	F	98.4	Very high	96.3	Very high	1 Å²	1	5.6 Å²	5.6	0%	0.004	4%	0.04	C	C	.	.	H	α-helix	trans	-71	-36.6	177	-159.3	-162.8	0	0	0	112.3	L189 L192 Q193 L221 M222 H223 M227 A228 Y229 L235 L327 F330 L331	L189-F225 HydrophobicContact CB-CZ 4.07Å; L189-F225 HydrophobicContact CD1-CE1 4.16Å; L189-F225 HydrophobicContact CD1-CZ 4.42Å; L189-F225 HydrophobicContact CD2-CE1 4.03Å; L189-F225 HydrophobicContact CD2-CE2 4.22Å; L189-F225 HydrophobicContact CD2-CZ 3.7Å; L189-F225 HydrophobicContact CG-CE1 4.48Å; L189-F225 HydrophobicContact CG-CZ 4.26Å; L192-F225 HydrophobicContact CD2-CE2 4.46Å; Q193-F225 HydrophobicContact CG-CE2 4.02Å; Q193-F225 HydrophobicContact CG-CZ 4.04Å; L221-F225 WeakPolarHBondContact O-CB 3.35Å; L221-F225 PolarHBondContact O-N 2.91Å; M222-F225 PolarHBondContact O-N 1.98Å; H223-F225 PolarHBondContact O-N 2.71Å; F225-M227 VanDerWaalsContact C-N 3.34Å; F225-A228 HydrophobicContact CD2-CB 4.3Å; F225-A228 PolarHBondContact O-N 2.81Å; F225-Y229 WeakPolarHBondContact O-CB 3.33Å; F225-Y229 PolarHBondContact O-N 2.87Å; F225-L235 HydrophobicContact CB-CD2 3.62Å; F225-L235 HydrophobicContact CD2-CB 3.98Å; F225-L235 HydrophobicContact CD2-CD2 3.77Å; F225-L235 HydrophobicContact CE2-CB 4.4Å; F225-L235 HydrophobicContact CG-CD2 3.8Å; F225-L327 HydrophobicContact CB-CD1 4.41Å; F225-L327 HydrophobicContact CD1-CB 3.89Å; F225-L327 HydrophobicContact CD1-CD2 3.84Å; F225-L327 HydrophobicContact CD1-CG 4.31Å; F225-L327 HydrophobicContact CE1-CD2 4.06Å; F225-L327 HydrophobicContact CG-CD2 4.39Å; F225-F330 HydrophobicContact CE1-CB 3.9Å; F225-F330 AromaticContact CE1-CD1 3.52Å; F225-F330 HydrophobicContact CE1-CD1 3.52Å; F225-F330 HydrophobicContact CE1-CE1 4.26Å; F225-F330 AromaticContact CE1-CG 3.77Å; F225-F330 HydrophobicContact CE1-CG 3.77Å; F225-F330 AromaticContact CZ-CD1 3.68Å; F225-F330 HydrophobicContact CZ-CD1 3.68Å; F225-F330 AromaticContact CZ-CE1 3.95Å; F225-F330 HydrophobicContact CZ-CE1 3.95Å; F225-F330 HydrophobicContact CZ-CG 4.08Å; F225-L331 HydrophobicContact CB-CD1 4.12Å; F225-L331 HydrophobicContact CB-CD2 4.38Å; F225-L331 HydrophobicContact CD1-CD1 3.97Å; F225-L331 HydrophobicContact CD1-CD2 3.73Å; F225-L331 HydrophobicContact CD1-CG 3.7Å; F225-L331 HydrophobicContact CE1-CD2 4.21Å; F225-L331 HydrophobicContact CE1-CG 4.26Å; F225-L331 HydrophobicContact CG-CD1 4.47Å; F225-L331 HydrophobicContact CG-CD2 4.15Å; F225-L331 HydrophobicContact CG-CG 4.46Å
226	Q	97.7	Very high	96.5	Very high	0 Å²	0	5.9 Å²	5.9	0%	0	4%	0.041	C	C	.	.	H	α-helix	trans	-63.4	-40.1	171.4	179.1	158.8	-23.2	0	0	111.7	M222 H223 Y229 A230 W299 A303 F323 L327 M584	M222-Q226 PolarHBondContact O-N 3.09Å; H223-Q226 WeakPolarHBondContact O-CB 3.46Å; H223-Q226 PolarHBondContact O-N 2.62Å; Q226-Y229 PolarHBondContact O-N 2.79Å; Q226-A230 VanDerWaalsContact O-CB 3.27Å; Q226-A230 WeakPolarHBondContact O-CB 3.19Å; Q226-A230 PolarHBondContact O-N 2.6Å; Q226-W299 PolarHBondContact NE2-O 3.38Å; Q226-A303 PolarHBondContact NE2-O 2.98Å; Q226-F323 HydrophobicContact CG-CE1 4.13Å; Q226-L327 HydrophobicContact CB-CD1 3.77Å; Q226-M584 HydrophobicContact CG-CE 4.37Å
227	M	95.2	Very high	96.6	Very high	0 Å²	0	5.3 Å²	5.3	0%	0	4%	0.036	C	C	.	.	H	α-helix	trans	-62.2	-45.9	172.9	180	-174.8	-69.6	0	0	111.6	V204 H223 C224 F225 Y229 A230 T231 F273 P288 V293 W299	V204-M227 HydrophobicContact CG1-SD 4.33Å; V204-M227 HydrophobicContact CG2-CG 4.31Å; V204-M227 HydrophobicContact CG2-SD 4.46Å; H223-M227 PolarHBondContact O-N 3Å; C224-M227 WeakPolarHBondContact O-CB 3.49Å; C224-M227 PolarHBondContact O-N 2.96Å; F225-M227 VanDerWaalsContact C-N 3.34Å; M227-Y229 VanDerWaalsContact C-N 3.32Å; M227-Y229 PolarHBondContact O-N 3.05Å; M227-A230 PolarHBondContact O-N 2.79Å; M227-T231 WeakPolarHBondContact O-CB 3.4Å; M227-T231 WeakPolarHBondContact O-CG2 3.15Å; M227-T231 PolarHBondContact O-N 3.45Å; M227-T231 PolarHBondContact O-OG1 2.73Å; M227-F273 HydrophobicContact CE-CD1 4.28Å; M227-F273 HydrophobicContact CE-CE1 4.14Å; M227-F273 HydrophobicContact SD-CE1 4.41Å; M227-F273 HydrophobicContact SD-CZ 4.47Å; M227-P288 HydrophobicContact CE-CG 3.72Å; M227-V293 HydrophobicContact CE-CG2 3.78Å; M227-W299 HydrophobicContact CB-CH2 3.78Å; M227-W299 HydrophobicContact CB-CZ3 3.74Å; M227-W299 HydrophobicContact CE-CH2 3.61Å; M227-W299 HydrophobicContact CE-CZ3 4.33Å; M227-W299 HydrophobicContact CG-CH2 3.59Å; M227-W299 HydrophobicContact CG-CZ2 4.15Å; M227-W299 HydrophobicContact CG-CZ3 4.1Å; M227-W299 HydrophobicContact SD-CH2 4.41Å
228	A	96.3	Very high	96.5	Very high	0 Å²	0	6.5 Å²	6.5	0%	0	4%	0.042	C	C	.	.	H	α-helix	trans	-59.5	-44.9	176.6	0	0	0	0	0	111	V204 C224 F225 T231 G232 R233 L235	V204-A228 HydrophobicContact CB-CB 4.01Å; V204-A228 HydrophobicContact CG2-CB 3.91Å; C224-A228 WeakPolarHBondContact O-CB 3.27Å; C224-A228 PolarHBondContact O-N 3.45Å; F225-A228 HydrophobicContact CD2-CB 4.3Å; F225-A228 PolarHBondContact O-N 2.81Å; A228-T231 CarbonylContact O-C 3.52Å; A228-T231 PolarHBondContact O-N 3.1Å; A228-T231 PolarHBondContact O-OG1 3.46Å; A228-G232 PolarHBondContact O-N 3.07Å; A228-R233 CarbonylContact C-O 3.31Å; A228-R233 WeakPolarHBondContact CB-O 3.44Å; A228-R233 PolarHBondContact O-N 3.47Å; A228-L235 HydrophobicContact CB-CB 4Å
229	Y	97	Very high	96.1	Very high	0 Å²	0	8.6 Å²	8.6	0%	0	6%	0.055	C	C	.	.	H	α-helix	trans	-64	-45.3	175.4	-169.9	-97.1	0	0	0	112.6	L185 E188 L189 L192 F225 Q226 M227 T231 G232 P305 H307 F323 M584 I585 G586 R591	L185-Y229 HydrophobicContact CD1-CE2 3.98Å; E188-Y229 VanDerWaalsContact CD-OH 3.29Å; E188-Y229 HydrophobicContact CG-CE2 4.37Å; E188-Y229 PolarHBondContact OE1-OH 3.46Å; E188-Y229 PolarHBondContact OE2-OH 3.09Å; L189-Y229 HydrophobicContact CD2-CD2 3.55Å; L189-Y229 HydrophobicContact CD2-CE2 3.87Å; L189-Y229 HydrophobicContact CD2-CG 4.47Å; L192-Y229 HydrophobicContact CD2-CD2 3.81Å; L192-Y229 HydrophobicContact CD2-CG 4.46Å; F225-Y229 WeakPolarHBondContact O-CB 3.33Å; F225-Y229 PolarHBondContact O-N 2.87Å; Q226-Y229 PolarHBondContact O-N 2.79Å; M227-Y229 VanDerWaalsContact C-N 3.32Å; M227-Y229 PolarHBondContact O-N 3.05Å; Y229-T231 PolarHBondContact O-N 3.09Å; Y229-G232 PolarHBondContact O-N 3.03Å; Y229-P305 HydrophobicContact CD1-CG 4.29Å; Y229-P305 HydrophobicContact CE1-CB 4.11Å; Y229-P305 HydrophobicContact CE1-CG 3.61Å; Y229-H307 PolarHBondContact OH-CE1 3.43Å; Y229-F323 HydrophobicContact CD1-CE2 4.39Å; Y229-F323 AromaticContact CD1-CZ 3.96Å; Y229-F323 HydrophobicContact CD1-CZ 3.96Å; Y229-F323 HydrophobicContact CE1-CE2 4.28Å; Y229-F323 HydrophobicContact CE1-CZ 4.25Å; Y229-M584 HydrophobicContact CD1-CB 3.77Å; Y229-M584 HydrophobicContact CD1-CG 4.39Å; Y229-M584 HydrophobicContact CD1-SD 3.79Å; Y229-M584 HydrophobicContact CE1-CB 3.84Å; Y229-M584 HydrophobicContact CE1-SD 4.22Å; Y229-I585 PolarHBondContact O-N 3.3Å; Y229-G586 WeakPolarHBondContact O-CA 3.38Å; Y229-G586 PolarHBondContact O-N 2.05Å; Y229-R591 PolarHBondContact OH-NH2 3.19Å
230	A	94.5	Very high	95.5	Very high	6 Å²	6	13.6 Å²	13.6	5%	0.05	9%	0.087	C	C	.	.	H	α-helix	trans	-60.5	-35.9	178.1	0	0	0	0	0	112.5	Q226 M227 W299 M584 I585	Q226-A230 VanDerWaalsContact O-CB 3.27Å; Q226-A230 WeakPolarHBondContact O-CB 3.19Å; Q226-A230 PolarHBondContact O-N 2.6Å; M227-A230 PolarHBondContact O-N 2.79Å; A230-W299 HydrophobicContact CB-CB 3.79Å; A230-W299 HydrophobicContact CB-CD2 3.6Å; A230-W299 HydrophobicContact CB-CE3 4.05Å; A230-W299 HydrophobicContact CB-CG 3.45Å; A230-W299 VanDerWaalsContact CB-CG 3.45Å; A230-M584 HydrophobicContact CB-CB 4.42Å; A230-M584 HydrophobicContact CB-CG 3.97Å; A230-M584 HydrophobicContact CB-SD 4.48Å; A230-I585 WeakPolarHBondContact O-CG1 3.44Å; A230-I585 PolarHBondContact O-N 3.41Å; A230-I585 VanDerWaalsContact O-N 3.11Å
231	T	92.6	Very high	94.5	Very high	20 Å²	20	14.8 Å²	14.8	12%	0.123	9%	0.094	C	C	.	.	H	α-helix	trans	-98.8	0.7	-176.1	58.2	0	0	0	0	114.5	M227 A228 Y229 R233	M227-T231 WeakPolarHBondContact O-CB 3.4Å; M227-T231 WeakPolarHBondContact O-CG2 3.15Å; M227-T231 PolarHBondContact O-N 3.45Å; M227-T231 PolarHBondContact O-OG1 2.73Å; A228-T231 CarbonylContact O-C 3.52Å; A228-T231 PolarHBondContact O-N 3.1Å; A228-T231 PolarHBondContact O-OG1 3.46Å; Y229-T231 PolarHBondContact O-N 3.09Å; T231-R233 VanDerWaalsContact C-N 3.28Å; T231-R233 PolarHBondContact O-N 2.73Å; T231-R233 VanDerWaalsContact OG1-CD 3.3Å; T231-R233 WeakPolarHBondContact OG1-CD 3.27Å; T231-R233 WeakPolarHBondContact OG1-CG 3.49Å
232	G	94.2	Very high	93.1	Very high	28 Å²	28	16.7 Å²	16.7	29%	0.289	11%	0.113	S	C	.	.	T	Hydrogen-bonded Turn	trans	63.7	33.5	-178.7	0	0	0	0	0	113.2	A228 Y229 G586	A228-G232 PolarHBondContact O-N 3.07Å; Y229-G232 PolarHBondContact O-N 3.03Å; G232-G586 WeakPolarHBondContact CA-O 3.33Å
233	R	95.2	Very high	91.6	Very high	1 Å²	1	26.3 Å²	26.3	0%	0.004	16%	0.158	C	C	.	.			trans	-105.1	150.8	-179.6	-65.5	179.6	172.6	-95.5	-5.7	110.6	L192 K202 Y203 V204 A228 T231 S279 Y282 Q283	L192-R233 WeakPolarHBondContact CD1-O 3.15Å; L192-R233 WeakPolarHBondContact CG-O 3.35Å; K202-R233 HydrophobicContact CB-CG 3.82Å; K202-R233 CarbonylContact O-C 3.52Å; K202-R233 WeakPolarHBondContact O-CA 3.44Å; Y203-R233 PolarHBondContact O-NH1 2.87Å; Y203-R233 VanDerWaalsContact O-NH1 3.1Å; V204-R233 HydrophobicContact CG2-CB 3.91Å; V204-R233 HydrophobicContact CG2-CG 4.41Å; A228-R233 CarbonylContact C-O 3.31Å; A228-R233 WeakPolarHBondContact CB-O 3.44Å; A228-R233 PolarHBondContact O-N 3.47Å; T231-R233 VanDerWaalsContact C-N 3.28Å; T231-R233 PolarHBondContact O-N 2.73Å; T231-R233 VanDerWaalsContact OG1-CD 3.3Å; T231-R233 WeakPolarHBondContact OG1-CD 3.27Å; T231-R233 WeakPolarHBondContact OG1-CG 3.49Å; R233-S279 PolarHBondContact NH2-O 3.4Å; R233-Y282 PolarHBondContact NH1-O 3.49Å; R233-Y282 PolarHBondContact NH2-O 3.4Å; R233-Q283 PolarHBondContact NH1-O 3.16Å
234	T	97.7	Very high	90.8	Very high	5 Å²	5	28 Å²	28	3%	0.031	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	129.7	168.9	-59.8	0	0	0	0	109.8	L192 P195 K202 Y203 V204 I236	L192-T234 PolarHBondContact O-OG1 3Å; P195-T234 WeakPolarHBondContact CD-OG1 3.24Å; K202-T234 PolarHBondContact O-N 3.41Å; Y203-T234 CarbonylContact C-O 3.57Å; Y203-T234 VanDerWaalsContact CA-O 3.22Å; Y203-T234 WeakPolarHBondContact CA-O 3.44Å; Y203-T234 HydrophobicContact CD1-CG2 4.05Å; Y203-T234 HydrophobicContact CE1-CG2 3.85Å; V204-T234 PolarHBondContact N-O 3.45Å; T234-I236 HydrophobicContact CG2-CD1 4.28Å; T234-I236 HydrophobicContact CG2-CG1 4.36Å
235	L	98.2	Very high	90.5	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	130.4	173.1	-179.9	66.6	0	0	0	110.6	Q193 V204 A206 L221 C224 F225 A228 L256 L331	Q193-L235 PolarHBondContact NE2-O 3.45Å; V204-L235 HydrophobicContact CB-CD1 4.23Å; V204-L235 HydrophobicContact CG1-CD1 3.95Å; V204-L235 CarbonylContact O-C 3.56Å; V204-L235 WeakPolarHBondContact O-CA 3.28Å; A206-L235 HydrophobicContact CB-CD1 3.88Å; L221-L235 HydrophobicContact CD1-CD2 3.9Å; C224-L235 HydrophobicContact CB-CD1 3.89Å; F225-L235 HydrophobicContact CB-CD2 3.62Å; F225-L235 HydrophobicContact CD2-CB 3.98Å; F225-L235 HydrophobicContact CD2-CD2 3.77Å; F225-L235 HydrophobicContact CE2-CB 4.4Å; F225-L235 HydrophobicContact CG-CD2 3.8Å; A228-L235 HydrophobicContact CB-CB 4Å; L235-L256 HydrophobicContact CD2-CD1 3.82Å; L235-L256 HydrophobicContact CG-CD1 3.92Å; L235-L331 HydrophobicContact CD2-CD2 3.93Å
236	I	97.3	Very high	90.2	Very high	9 Å²	9	28.9 Å²	28.9	5%	0.046	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	140.1	174.6	-66.8	-67.1	0	0	0	109.4	Y203 V204 V205 A206 T234 C260 I262	Y203-I236 HydrophobicContact CD1-CD1 4.49Å; Y203-I236 HydrophobicContact CD1-CG1 3.51Å; Y203-I236 HydrophobicContact CE1-CD1 4.29Å; Y203-I236 HydrophobicContact CE1-CG1 3.75Å; V204-I236 PolarHBondContact O-N 3.06Å; V205-I236 CarbonylContact C-O 3.6Å; V205-I236 WeakPolarHBondContact CA-O 3.29Å; A206-I236 PolarHBondContact N-O 2.78Å; T234-I236 HydrophobicContact CG2-CD1 4.28Å; T234-I236 HydrophobicContact CG2-CG1 4.36Å; I236-C260 HydrophobicContact CD1-CB 4.32Å; I236-C260 WeakPolarHBondContact CD1-O 3.29Å; I236-I262 HydrophobicContact CG2-CB 4.16Å
237	L	95.9	Very high	89.9	Confident	16 Å²	16	32.4 Å²	32.4	8%	0.084	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	134.8	168.1	-75	172.9	0	0	0	109.8	A206 L208 L221 P239 T246 W249 M250 L256	A206-L237 HydrophobicContact CB-CD2 4.41Å; A206-L237 CarbonylContact O-C 3.57Å; A206-L237 WeakPolarHBondContact O-CA 3.09Å; L208-L237 HydrophobicContact CD1-CD2 4.35Å; L208-L237 HydrophobicContact CD2-CD2 4.39Å; L208-L237 HydrophobicContact CG-CD2 4.1Å; L221-L237 HydrophobicContact CD1-CD2 3.62Å; L221-L237 HydrophobicContact CD1-CG 4.46Å; L221-L237 HydrophobicContact CD2-CD2 4.34Å; L237-P239 VanDerWaalsContact O-CD 3.29Å; L237-P239 WeakPolarHBondContact O-CD 2.9Å; L237-T246 HydrophobicContact CB-CG2 4.08Å; L237-T246 HydrophobicContact CD2-CG2 4.37Å; L237-W249 HydrophobicContact CD1-CB 4.39Å; L237-W249 HydrophobicContact CD1-CG 4.26Å; L237-M250 HydrophobicContact CB-CG 4.48Å; L237-M250 HydrophobicContact CB-SD 4.34Å; L237-M250 HydrophobicContact CD1-CG 3.98Å; L237-L256 HydrophobicContact CD1-CD1 4.14Å; L237-L256 HydrophobicContact CD1-CG 4.37Å; L237-L256 HydrophobicContact CG-CD1 3.82Å; L237-L256 HydrophobicContact CG-CG 4.5Å
238	D	93.5	Very high	89.7	Confident	24 Å²	24	32.8 Å²	32.8	13%	0.128	20%	0.197	C	C	.	.			trans	-81.2	110.1	175.2	-174.7	-5.8	0	0	0	111.3	V205 A206 S207 T240 T246 I262	V205-D238 HydrophobicContact CG1-CB 3.9Å; A206-D238 PolarHBondContact O-N 2.97Å; S207-D238 WeakPolarHBondContact OG-CB 3.27Å; D238-T240 VanDerWaalsContact CG-OG1 3.24Å; D238-T240 PolarHBondContact O-N 2.66Å; D238-T240 WeakPolarHBondContact OD1-CB 3.25Å; D238-T240 PolarHBondContact OD1-N 2.89Å; D238-T240 PolarHBondContact OD1-OG1 2.92Å; D238-T240 PolarHBondContact OD2-OG1 3.47Å; D238-T246 VanDerWaalsContact O-CG2 3.22Å; D238-T246 WeakPolarHBondContact O-CG2 3.29Å; D238-I262 HydrophobicContact CB-CD1 4.09Å; D238-I262 WeakPolarHBondContact OD1-CD1 3.4Å
239	P	89.5	Confident	89.7	Confident	44 Å²	44	33 Å²	33	29%	0.286	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.3	-14.8	179.6	32.2	-36	0	0	0	113.2	L237 D241 Q247 M250 I262	L237-P239 VanDerWaalsContact O-CD 3.29Å; L237-P239 WeakPolarHBondContact O-CD 2.9Å; P239-D241 PolarHBondContact O-N 3.37Å; P239-Q247 PolarHBondContact O-NE2 2.89Å; P239-M250 HydrophobicContact CB-CE 4.18Å; P239-M250 HydrophobicContact CB-SD 4.19Å; P239-I262 HydrophobicContact CG-CG2 3.96Å
240	T	85.7	Confident	89.5	Confident	112 Å²	112	37.1 Å²	37.1	69%	0.687	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.6	-5.9	-174.4	70.6	0	0	0	0	113.7	D238 G242	D238-T240 VanDerWaalsContact CG-OG1 3.24Å; D238-T240 PolarHBondContact O-N 2.66Å; D238-T240 WeakPolarHBondContact OD1-CB 3.25Å; D238-T240 PolarHBondContact OD1-N 2.89Å; D238-T240 PolarHBondContact OD1-OG1 2.92Å; D238-T240 PolarHBondContact OD2-OG1 3.47Å; T240-G242 PolarHBondContact O-N 2.99Å
241	D	75.2	Confident	89.5	Confident	42 Å²	42	42.7 Å²	42.7	23%	0.225	24%	0.241	C	C	.	.	S	Bend	trans	-70.9	12.8	-175.9	-164.3	32.5	0	0	0	115.5	S207 L208 N209 P239 T246	S207-D241 VanDerWaalsContact CB-OD2 3.26Å; S207-D241 WeakPolarHBondContact CB-OD2 3.21Å; L208-D241 PolarHBondContact N-OD2 3.26Å; N209-D241 VanDerWaalsContact CB-OD1 3.27Å; N209-D241 WeakPolarHBondContact CB-OD1 3.49Å; N209-D241 WeakPolarHBondContact CB-OD2 3.45Å; N209-D241 VanDerWaalsContact CG-OD1 3.32Å; N209-D241 PolarHBondContact N-OD2 3.23Å; N209-D241 VanDerWaalsContact N-OD2 3.14Å; N209-D241 PolarHBondContact ND2-OD1 3.3Å; P239-D241 PolarHBondContact O-N 3.37Å; D241-T246 PolarHBondContact OD2-OG1 3.22Å
242	G	69.7	Low	89.6	Confident	39 Å²	39	43 Å²	43	40%	0.402	24%	0.242	S	C	.	.			trans	83.4	-178.4	177.3	0	0	0	0	0	115.6	T240 G244 Q247	T240-G242 PolarHBondContact O-N 2.99Å; G242-G244 VanDerWaalsContact C-N 3.32Å; G242-G244 PolarHBondContact O-N 3.06Å; G242-Q247 WeakPolarHBondContact O-CG 3.47Å
243	E	66.3	Low	89.8	Confident	204 Å²	204	41.7 Å²	41.7	95%	0.953	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.9	79.3	177.2	-66.3	-175	-178.6	0	0	110.8
244	G	80.2	Confident	89.9	Confident	36 Å²	36	44 Å²	44	37%	0.371	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-139.1	-158	-177.7	0	0	0	0	0	114.1	G242 T246 Q247 W248	G242-G244 VanDerWaalsContact C-N 3.32Å; G242-G244 PolarHBondContact O-N 3.06Å; G244-T246 PolarHBondContact O-N 2.86Å; G244-Q247 PolarHBondContact O-N 3.23Å; G244-W248 PolarHBondContact O-N 3.37Å; G244-W248 VanDerWaalsContact O-N 3.16Å
245	Y	90.6	Very high	89.9	Confident	19 Å²	19	47.7 Å²	47.7	8%	0.075	27%	0.266	C	S	.	.	H	α-helix	trans	-58.9	-28.5	179.2	-72.8	-68.7	0	0	0	112.7	L208 C212 F214 N217 W248 W249 I466	L208-Y245 WeakPolarHBondContact O-CB 3.28Å; C212-Y245 WeakPolarHBondContact O-CE2 3.49Å; F214-Y245 HydrophobicContact CB-CD1 4.46Å; F214-Y245 HydrophobicContact CB-CE1 3.8Å; F214-Y245 HydrophobicContact CD2-CD1 4.08Å; F214-Y245 HydrophobicContact CD2-CE1 4.18Å; F214-Y245 PolarHBondContact N-OH 3.19Å; N217-Y245 HydrophobicContact CB-CD2 4.4Å; N217-Y245 HydrophobicContact CB-CG 4.47Å; N217-Y245 WeakPolarHBondContact ND2-CD2 3.33Å; Y245-W248 PolarHBondContact O-N 3.03Å; Y245-W249 VanDerWaalsContact O-CB 3.28Å; Y245-W249 WeakPolarHBondContact O-CB 3.47Å; Y245-W249 PolarHBondContact O-N 3.2Å; Y245-I466 HydrophobicContact CD1-CD1 3.79Å; Y245-I466 HydrophobicContact CD1-CG1 4.42Å; Y245-I466 HydrophobicContact CD1-CG2 4.35Å; Y245-I466 HydrophobicContact CE1-CD1 3.5Å; Y245-I466 VanDerWaalsContact CE1-CD1 3.5Å; Y245-I466 HydrophobicContact CE1-CG1 3.74Å; Y245-I466 HydrophobicContact CE1-CG2 4.12Å
246	T	92.8	Very high	89.9	Confident	1 Å²	1	48.3 Å²	48.3	1%	0.006	27%	0.27	C	S	.	.	H	α-helix	trans	-62	-50.5	178	-48.8	0	0	0	0	111.4	L208 L237 D238 D241 G244 W249 M250	L208-T246 WeakPolarHBondContact CB-OG1 3.41Å; L208-T246 PolarHBondContact N-OG1 3.48Å; L237-T246 HydrophobicContact CB-CG2 4.08Å; L237-T246 HydrophobicContact CD2-CG2 4.37Å; D238-T246 VanDerWaalsContact O-CG2 3.22Å; D238-T246 WeakPolarHBondContact O-CG2 3.29Å; D241-T246 PolarHBondContact OD2-OG1 3.22Å; G244-T246 PolarHBondContact O-N 2.86Å; T246-W249 WeakPolarHBondContact O-CB 3.32Å; T246-W249 PolarHBondContact O-N 2.79Å; T246-M250 HydrophobicContact CG2-SD 4.19Å; T246-M250 WeakPolarHBondContact O-CG 3.43Å; T246-M250 PolarHBondContact O-N 3.18Å
247	Q	90.8	Very high	89.9	Confident	74 Å²	74	48.3 Å²	48.3	35%	0.346	27%	0.271	S	S	.	.	H	α-helix	trans	-64.4	-42.3	177.3	-68.1	-60.7	-30.1	0	0	111.6	P239 G242 G244 W249 M250 K251	P239-Q247 PolarHBondContact O-NE2 2.89Å; G242-Q247 WeakPolarHBondContact O-CG 3.47Å; G244-Q247 PolarHBondContact O-N 3.23Å; Q247-W249 VanDerWaalsContact C-N 3.31Å; Q247-W249 PolarHBondContact O-N 3.24Å; Q247-M250 PolarHBondContact O-N 3.37Å; Q247-K251 WeakPolarHBondContact O-CB 3.25Å; Q247-K251 PolarHBondContact O-N 3.33Å
248	W	91.4	Very high	90	Very high	9 Å²	9	54.4 Å²	54.4	3%	0.034	30%	0.299	C	S	.	.	H	α-helix	trans	-59.9	-42.4	175.1	-170.6	95.4	0	0	0	111.6	F214 G244 Y245 K251 N252 F253 I466 M467 V470	F214-W248 HydrophobicContact CE2-CE3 4.24Å; F214-W248 AromaticContact CE2-CZ3 3.81Å; F214-W248 HydrophobicContact CE2-CZ3 3.81Å; F214-W248 HydrophobicContact CZ-CZ3 4.49Å; G244-W248 PolarHBondContact O-N 3.37Å; G244-W248 VanDerWaalsContact O-N 3.16Å; Y245-W248 PolarHBondContact O-N 3.03Å; W248-K251 PolarHBondContact O-N 3.26Å; W248-N252 HydrophobicContact CE3-CB 4.46Å; W248-N252 HydrophobicContact CH2-CB 4.06Å; W248-N252 HydrophobicContact CZ2-CB 4.19Å; W248-N252 HydrophobicContact CZ3-CB 4.23Å; W248-N252 PolarHBondContact NE1-ND2 2.97Å; W248-N252 WeakPolarHBondContact O-CB 3.12Å; W248-N252 PolarHBondContact O-N 3.43Å; W248-N252 VanDerWaalsContact O-N 3.13Å; W248-N252 PolarHBondContact O-ND2 3.48Å; W248-F253 HydrophobicContact CH2-CE2 4.43Å; W248-F253 HydrophobicContact CZ3-CD2 4.37Å; W248-F253 AromaticContact CZ3-CE2 3.72Å; W248-F253 HydrophobicContact CZ3-CE2 3.72Å; W248-F253 HydrophobicContact CZ3-CZ 4.23Å; W248-I466 HydrophobicContact CB-CD1 4.43Å; W248-I466 HydrophobicContact CD2-CB 4.16Å; W248-I466 HydrophobicContact CD2-CD1 4.45Å; W248-I466 HydrophobicContact CD2-CG2 3.47Å; W248-I466 VanDerWaalsContact CD2-CG2 3.47Å; W248-I466 VanDerWaalsContact CE2-CG2 3.41Å; W248-I466 HydrophobicContact CE3-CG2 3.66Å; W248-I466 HydrophobicContact CG-CB 4.5Å; W248-I466 HydrophobicContact CG-CD1 4Å; W248-I466 HydrophobicContact CG-CG2 4.14Å; W248-I466 HydrophobicContact CH2-CG2 3.85Å; W248-I466 HydrophobicContact CZ2-CB 4.12Å; W248-I466 HydrophobicContact CZ2-CG2 3.62Å; W248-I466 HydrophobicContact CZ3-CG2 3.84Å; W248-M467 HydrophobicContact CZ2-CB 4.22Å; W248-M467 HydrophobicContact CZ2-SD 4.1Å; W248-V470 HydrophobicContact CH2-CB 4.02Å; W248-V470 HydrophobicContact CH2-CG1 4.23Å; W248-V470 HydrophobicContact CH2-CG2 3.36Å; W248-V470 HydrophobicContact CZ2-CG2 4.24Å; W248-V470 HydrophobicContact CZ3-CG2 3.79Å
249	W	94.7	Very high	90	Very high	4 Å²	4	58.2 Å²	58.2	2%	0.015	31%	0.314	C	S	.	.	H	α-helix	trans	-63.1	-48.1	177.9	-158.4	-68.2	0	0	0	111.4	L208 F214 A218 L221 L237 Y245 T246 Q247 K251 N252 F253 L331 M332	L208-W249 HydrophobicContact CD1-CB 3.95Å; L208-W249 HydrophobicContact CD1-CD2 3.83Å; L208-W249 HydrophobicContact CD1-CE3 3.49Å; L208-W249 VanDerWaalsContact CD1-CE3 3.49Å; L208-W249 HydrophobicContact CD1-CG 4.04Å; L208-W249 HydrophobicContact CD1-CZ3 4.28Å; F214-W249 HydrophobicContact CD2-CZ3 4.47Å; F214-W249 AromaticContact CE2-CE3 3.84Å; F214-W249 HydrophobicContact CE2-CE3 3.84Å; F214-W249 HydrophobicContact CE2-CH2 4.44Å; F214-W249 AromaticContact CE2-CZ3 3.55Å; F214-W249 HydrophobicContact CE2-CZ3 3.55Å; F214-W249 HydrophobicContact CZ-CE3 4.34Å; F214-W249 HydrophobicContact CZ-CH2 4.14Å; F214-W249 AromaticContact CZ-CZ3 3.67Å; F214-W249 HydrophobicContact CZ-CZ3 3.67Å; A218-W249 HydrophobicContact CB-CH2 3.8Å; A218-W249 HydrophobicContact CB-CZ3 3.89Å; L221-W249 HydrophobicContact CD2-CD2 3.95Å; L221-W249 VanDerWaalsContact CD2-CE2 3.46Å; L221-W249 HydrophobicContact CD2-CE3 4.43Å; L221-W249 HydrophobicContact CD2-CH2 4.11Å; L221-W249 HydrophobicContact CD2-CZ2 3.58Å; L237-W249 HydrophobicContact CD1-CB 4.39Å; L237-W249 HydrophobicContact CD1-CG 4.26Å; Y245-W249 VanDerWaalsContact O-CB 3.28Å; Y245-W249 WeakPolarHBondContact O-CB 3.47Å; Y245-W249 PolarHBondContact O-N 3.2Å; T246-W249 WeakPolarHBondContact O-CB 3.32Å; T246-W249 PolarHBondContact O-N 2.79Å; Q247-W249 VanDerWaalsContact C-N 3.31Å; Q247-W249 PolarHBondContact O-N 3.24Å; W249-K251 VanDerWaalsContact C-N 3.28Å; W249-K251 PolarHBondContact O-N 3.06Å; W249-N252 PolarHBondContact O-N 3.09Å; W249-F253 AromaticContact CD1-CD2 3.57Å; W249-F253 AromaticContact CD2-CD2 3.76Å; W249-F253 HydrophobicContact CD2-CD2 3.76Å; W249-F253 HydrophobicContact CD2-CE2 4Å; W249-F253 AromaticContact CE2-CD2 3.55Å; W249-F253 AromaticContact CE2-CE2 3.87Å; W249-F253 HydrophobicContact CE3-CE2 4.33Å; W249-F253 AromaticContact CG-CD2 3.76Å; W249-F253 HydrophobicContact CG-CD2 3.76Å; W249-F253 HydrophobicContact CG-CE2 4.42Å; W249-F253 HydrophobicContact CH2-CE2 4.44Å; W249-F253 HydrophobicContact CZ2-CD2 4.16Å; W249-F253 HydrophobicContact CZ2-CE2 4.1Å; W249-F253 AromaticContact NE1-CD2 3.41Å; W249-F253 WeakPolarHBondContact O-CB 3.15Å; W249-F253 PolarHBondContact O-N 2.95Å; W249-L331 HydrophobicContact CZ2-CB 4.06Å; W249-L331 PolarHBondContact NE1-O 2.79Å; W249-M332 HydrophobicContact CH2-CG 3.76Å; W249-M332 HydrophobicContact CH2-SD 4.17Å; W249-M332 HydrophobicContact CZ2-CG 3.49Å; W249-M332 VanDerWaalsContact CZ2-CG 3.49Å; W249-M332 HydrophobicContact CZ2-SD 4.49Å
250	M	94.1	Very high	90.4	Very high	86 Å²	86	56.5 Å²	56.5	42%	0.424	30%	0.303	S	S	.	.	H	α-helix	trans	-64	-31.7	179.6	-69.2	175.9	66	0	0	113	L237 P239 T246 Q247	L237-M250 HydrophobicContact CB-CG 4.48Å; L237-M250 HydrophobicContact CB-SD 4.34Å; L237-M250 HydrophobicContact CD1-CG 3.98Å; P239-M250 HydrophobicContact CB-CE 4.18Å; P239-M250 HydrophobicContact CB-SD 4.19Å; T246-M250 HydrophobicContact CG2-SD 4.19Å; T246-M250 WeakPolarHBondContact O-CG 3.43Å; T246-M250 PolarHBondContact O-N 3.18Å; Q247-M250 PolarHBondContact O-N 3.37Å
251	K	93.4	Very high	90.9	Very high	123 Å²	123	53.4 Å²	53.4	54%	0.535	29%	0.286	S	S	.	.	H	α-helix	trans	-74.2	-38.7	177.7	-179.3	-176.3	177.8	-173.5	0	112.8	Q247 W248 W249 E463	Q247-K251 WeakPolarHBondContact O-CB 3.25Å; Q247-K251 PolarHBondContact O-N 3.33Å; W248-K251 PolarHBondContact O-N 3.26Å; W249-K251 VanDerWaalsContact C-N 3.28Å; W249-K251 PolarHBondContact O-N 3.06Å; K251-E463 VanDerWaalsContact NZ-CD 3.28Å; K251-E463 IonicContact NZ-OE1 2.82Å; K251-E463 PolarHBondContact NZ-OE1 2.71Å; K251-E463 IonicContact NZ-OE2 3.37Å; K251-E463 PolarHBondContact NZ-OE2 2.97Å
252	N	95.6	Very high	91.8	Very high	26 Å²	26	53 Å²	53	14%	0.139	28%	0.283	C	S	.	.	H	α-helix	trans	-106.7	-13	-166.4	-66.6	-77.4	0	0	0	114.6	W248 W249 T335 F336	W248-N252 HydrophobicContact CE3-CB 4.46Å; W248-N252 HydrophobicContact CH2-CB 4.06Å; W248-N252 HydrophobicContact CZ2-CB 4.19Å; W248-N252 HydrophobicContact CZ3-CB 4.23Å; W248-N252 PolarHBondContact NE1-ND2 2.97Å; W248-N252 WeakPolarHBondContact O-CB 3.12Å; W248-N252 PolarHBondContact O-N 3.43Å; W248-N252 VanDerWaalsContact O-N 3.13Å; W248-N252 PolarHBondContact O-ND2 3.48Å; W249-N252 PolarHBondContact O-N 3.09Å; N252-T335 VanDerWaalsContact C-OG1 3.28Å; N252-T335 PolarHBondContact O-N 3.21Å; N252-T335 PolarHBondContact O-OG1 3.45Å; N252-F336 HydrophobicContact CB-CD1 4.13Å; N252-F336 HydrophobicContact CB-CE1 3.97Å; N252-F336 VanDerWaalsContact O-CD1 3.3Å; N252-F336 WeakPolarHBondContact O-CD1 3.48Å; N252-F336 VanDerWaalsContact O-CE1 3.27Å; N252-F336 WeakPolarHBondContact O-CE1 2.88Å
253	F	97.9	Very high	92.9	Very high	2 Å²	2	58 Å²	58	1%	0.009	30%	0.301	C	S	.	.	B	Isolated β-bridge	trans	-118.7	152.3	175.8	-64.2	-57.8	0	0	0	111.8	F214 W248 W249 M332 R333 P334 F336 V470 F474	F214-F253 HydrophobicContact CZ-CE2 4.37Å; W248-F253 HydrophobicContact CH2-CE2 4.43Å; W248-F253 HydrophobicContact CZ3-CD2 4.37Å; W248-F253 AromaticContact CZ3-CE2 3.72Å; W248-F253 HydrophobicContact CZ3-CE2 3.72Å; W248-F253 HydrophobicContact CZ3-CZ 4.23Å; W249-F253 AromaticContact CD1-CD2 3.57Å; W249-F253 AromaticContact CD2-CD2 3.76Å; W249-F253 HydrophobicContact CD2-CD2 3.76Å; W249-F253 HydrophobicContact CD2-CE2 4Å; W249-F253 AromaticContact CE2-CD2 3.55Å; W249-F253 AromaticContact CE2-CE2 3.87Å; W249-F253 HydrophobicContact CE3-CE2 4.33Å; W249-F253 AromaticContact CG-CD2 3.76Å; W249-F253 HydrophobicContact CG-CD2 3.76Å; W249-F253 HydrophobicContact CG-CE2 4.42Å; W249-F253 HydrophobicContact CH2-CE2 4.44Å; W249-F253 HydrophobicContact CZ2-CD2 4.16Å; W249-F253 HydrophobicContact CZ2-CE2 4.1Å; W249-F253 AromaticContact NE1-CD2 3.41Å; W249-F253 WeakPolarHBondContact O-CB 3.15Å; W249-F253 PolarHBondContact O-N 2.95Å; F253-M332 HydrophobicContact CD1-CB 4.4Å; F253-M332 HydrophobicContact CE1-CB 3.96Å; F253-M332 HydrophobicContact CE2-CG 4.3Å; F253-M332 HydrophobicContact CZ-CB 4.01Å; F253-M332 HydrophobicContact CZ-CE 3.95Å; F253-M332 HydrophobicContact CZ-CG 4.16Å; F253-R333 CarbonylContact C-O 3.59Å; F253-R333 VanDerWaalsContact CA-O 3.26Å; F253-R333 WeakPolarHBondContact CA-O 3.13Å; F253-R333 WeakPolarHBondContact CD1-O 3.49Å; F253-P334 HydrophobicContact CD1-CB 4.47Å; F253-P334 HydrophobicContact CE1-CB 4.43Å; F253-F336 HydrophobicContact CD1-CE1 4.47Å; F253-F336 HydrophobicContact CE1-CE1 4.12Å; F253-F336 HydrophobicContact CE1-CZ 4.2Å; F253-V470 HydrophobicContact CE1-CG1 4.41Å; F253-V470 HydrophobicContact CZ-CG1 3.86Å; F253-F474 HydrophobicContact CE1-CE2 4.04Å; F253-F474 AromaticContact CE1-CZ 3.98Å; F253-F474 HydrophobicContact CE1-CZ 3.98Å; F253-F474 HydrophobicContact CZ-CE2 4.4Å; F253-F474 HydrophobicContact CZ-CZ 4.49Å
254	V	98.1	Very high	94.3	Very high	49 Å²	49	50.1 Å²	50.1	30%	0.297	27%	0.266	S	S	.	.			trans	-57	134.2	175.2	175.4	0	0	0	0	108.8	L256 R333 T335	V254-L256 PolarHBondContact O-N 3.05Å; V254-R333 HydrophobicContact CB-CB 3.98Å; V254-R333 HydrophobicContact CG2-CB 3.92Å; V254-R333 PolarHBondContact N-O 2.94Å; V254-T335 HydrophobicContact CG2-CG2 4.12Å
255	P	97.7	Very high	95	Very high	82 Å²	82	49.6 Å²	49.6	53%	0.532	25%	0.254	S	S	.	.			trans	-48.8	140.3	178.4	-30.5	35.9	0	0	0	112.9	S257	P255-S257 WeakPolarHBondContact CB-O 3.44Å; P255-S257 PolarHBondContact O-N 2.97Å
256	L	97.9	Very high	95.1	Very high	13 Å²	13	55.9 Å²	55.9	7%	0.068	28%	0.284	C	S	.	.	S	Bend	trans	-61.3	-29.5	-179.4	-58.2	-168.1	0	0	0	112.2	Q193 L221 L235 L237 V254 L331	Q193-L256 WeakPolarHBondContact CB-O 3.35Å; Q193-L256 VanDerWaalsContact CG-O 3.31Å; Q193-L256 WeakPolarHBondContact CG-O 3.33Å; Q193-L256 PolarHBondContact NE2-O 3.15Å; L221-L256 HydrophobicContact CD1-CD1 4.5Å; L235-L256 HydrophobicContact CD2-CD1 3.82Å; L235-L256 HydrophobicContact CG-CD1 3.92Å; L237-L256 HydrophobicContact CD1-CD1 4.14Å; L237-L256 HydrophobicContact CD1-CG 4.37Å; L237-L256 HydrophobicContact CG-CD1 3.82Å; L237-L256 HydrophobicContact CG-CG 4.5Å; V254-L256 PolarHBondContact O-N 3.05Å; L256-L331 HydrophobicContact CD1-CD2 4.15Å; L256-L331 HydrophobicContact CD2-CD2 3.57Å
257	S	98.1	Very high	94.9	Very high	10 Å²	10	58.2 Å²	58.2	7%	0.07	30%	0.3	C	S	.	.			trans	-134.2	141.2	177	151.8	0	0	0	0	107.8	Q193 P255 K259 C260	Q193-S257 VanDerWaalsContact O-CB 3.23Å; Q193-S257 WeakPolarHBondContact O-CB 3.48Å; Q193-S257 PolarHBondContact O-OG 2.83Å; P255-S257 WeakPolarHBondContact CB-O 3.44Å; P255-S257 PolarHBondContact O-N 2.97Å; S257-K259 PolarHBondContact OG-N 3.01Å; S257-C260 WeakPolarHBondContact OG-CA 3.42Å; S257-C260 WeakPolarHBondContact OG-CB 3.47Å; S257-C260 PolarHBondContact OG-N 3.46Å; S257-C260 PolarHBondContact OG-O 3Å
258	Q	96.2	Very high	94.9	Very high	143 Å²	143	61 Å²	61	67%	0.668	32%	0.318	S	S	*	.	S	Bend	trans	-85.1	-16	179.1	-68.2	-177.4	-16.5	0	0	113	F190 N194	F190-Q258 HydrophobicContact CE2-CG 4.3Å; N194-Q258 PolarHBondContact OD1-N 3Å
259	K	95	Very high	94.9	Very high	104 Å²	104	63.8 Å²	63.8	45%	0.452	33%	0.332	S	S	.	.	S	Bend	trans	-132.8	-33.5	-173	60.5	176.1	173.6	-170.5	0	115.5	N194 P195 S257	N194-K259 WeakPolarHBondContact O-CE 3.1Å; N194-K259 PolarHBondContact O-NZ 2.89Å; P195-K259 WeakPolarHBondContact O-CE 3.41Å; P195-K259 PolarHBondContact O-NZ 2.84Å; S257-K259 PolarHBondContact OG-N 3.01Å
260	C	97.3	Very high	94.6	Very high	9 Å²	9	66.6 Å²	66.6	6%	0.061	35%	0.346	C	S	.	.			trans	-89.3	143.2	179	-52.8	0	0	0	0	111.6	C198 Y203 I236 S257 D264	C198-C260 VanDerWaalsContact CA-SG 3.57Å; C198-C260 HydrophobicContact CB-CB 3.79Å; C198-C260 WeakPolarHBondContact CB-SG 3.34Å; C198-C260 WeakPolarHBondContact SG-CA 3.29Å; C198-C260 WeakPolarHBondContact SG-CB 3.43Å; C198-C260 PolarHBondContact SG-N 3.39Å; C198-C260 CovalentContact SG-SG 2.05Å; C198-C260 PolarHBondContact SG-SG 2.8Å; Y203-C260 HydrophobicContact CE1-CB 4.17Å; I236-C260 HydrophobicContact CD1-CB 4.32Å; I236-C260 WeakPolarHBondContact CD1-O 3.29Å; S257-C260 WeakPolarHBondContact OG-CA 3.42Å; S257-C260 WeakPolarHBondContact OG-CB 3.47Å; S257-C260 PolarHBondContact OG-N 3.46Å; S257-C260 PolarHBondContact OG-O 3Å; C260-D264 WeakPolarHBondContact CA-OD2 3.28Å
261	S	95.2	Very high	94.1	Very high	46 Å²	46	66.5 Å²	66.5	32%	0.322	35%	0.353	S	S	.	.			trans	-137.1	172.8	-178.4	71	0	0	0	0	110.6	N263 D264	S261-N263 PolarHBondContact O-N 3.03Å; S261-N263 PolarHBondContact OG-N 3.26Å; S261-D264 PolarHBondContact N-OD2 3.16Å; S261-D264 WeakPolarHBondContact O-CB 3.31Å; S261-D264 PolarHBondContact O-N 2.89Å; S261-D264 PolarHBondContact OG-OD2 2.69Å
262	I	94.4	Very high	93	Very high	33 Å²	33	65 Å²	65	17%	0.169	35%	0.351	C	S	.	.	G	3₁₀ helix	trans	-60.8	-26.6	174.9	-162.3	166.2	0	0	0	112.7	I236 D238 P239 D264 I265 I269	I236-I262 HydrophobicContact CG2-CB 4.16Å; D238-I262 HydrophobicContact CB-CD1 4.09Å; D238-I262 WeakPolarHBondContact OD1-CD1 3.4Å; P239-I262 HydrophobicContact CG-CG2 3.96Å; I262-D264 PolarHBondContact O-N 2.98Å; I262-I265 HydrophobicContact CG1-CD1 4.11Å; I262-I265 WeakPolarHBondContact O-CB 3.4Å; I262-I265 PolarHBondContact O-N 3.42Å; I262-I269 HydrophobicContact CD1-CD1 4.25Å
263	N	94.5	Very high	91.7	Very high	146 Å²	146	64.1 Å²	64.1	78%	0.781	35%	0.346	S	S	*	.	G	3₁₀ helix	trans	-72.3	-14	-179.6	-63.3	-28.6	0	0	0	113.4	S261 I265	S261-N263 PolarHBondContact O-N 3.03Å; S261-N263 PolarHBondContact OG-N 3.26Å; N263-I265 VanDerWaalsContact C-N 3.28Å
264	D	95.6	Very high	89.8	Confident	38 Å²	38	68 Å²	68	20%	0.203	37%	0.374	C	S	.	.	G	3₁₀ helix	trans	-80.1	-12.6	176.5	-63.5	-73.3	0	0	0	112.8	C198 C260 S261 I262 Q266	C198-D264 HydrophobicContact CB-CB 3.7Å; C260-D264 WeakPolarHBondContact CA-OD2 3.28Å; S261-D264 PolarHBondContact N-OD2 3.16Å; S261-D264 WeakPolarHBondContact O-CB 3.31Å; S261-D264 PolarHBondContact O-N 2.89Å; S261-D264 PolarHBondContact OG-OD2 2.69Å; I262-D264 PolarHBondContact O-N 2.98Å; D264-Q266 PolarHBondContact O-N 3.48Å
265	I	94.7	Very high	87.4	Confident	25 Å²	25	68 Å²	68	13%	0.128	38%	0.379	C	S	.	.			trans	-75.3	118.1	177.8	-58	174.6	0	0	0	108.5	Y203 V205 I262 N263 S267 I269 A284	Y203-I265 HydrophobicContact CD2-CD1 4.36Å; Y203-I265 HydrophobicContact CD2-CG1 3.73Å; Y203-I265 HydrophobicContact CE2-CG1 4.03Å; Y203-I265 HydrophobicContact CG-CD1 4.27Å; Y203-I265 HydrophobicContact CG-CG1 4.11Å; V205-I265 HydrophobicContact CG2-CD1 3.72Å; I262-I265 HydrophobicContact CG1-CD1 4.11Å; I262-I265 WeakPolarHBondContact O-CB 3.4Å; I262-I265 PolarHBondContact O-N 3.42Å; N263-I265 VanDerWaalsContact C-N 3.28Å; I265-S267 VanDerWaalsContact CG2-O 3.27Å; I265-S267 WeakPolarHBondContact CG2-O 3.03Å; I265-I269 HydrophobicContact CD1-CG1 4.49Å; I265-A284 HydrophobicContact CD1-CB 3.89Å; I265-A284 HydrophobicContact CG1-CB 4.31Å; I265-A284 HydrophobicContact CG2-CB 3.55Å
266	Q	91	Very high	85.6	Confident	150 Å²	150	65.1 Å²	65.1	70%	0.701	36%	0.363	S	S	*	.			trans	-95.2	-3.5	-174.4	-60.7	-172.5	-43.6	0	0	113.4	D264	D264-Q266 PolarHBondContact O-N 3.48Å
267	S	88.9	Confident	83.5	Confident	50 Å²	50	72.6 Å²	72.6	35%	0.35	40%	0.398	S	S	.	.	S	Bend	trans	-130.6	170.6	-175.8	56.7	0	0	0	0	111.1	I265 Q283	I265-S267 VanDerWaalsContact CG2-O 3.27Å; I265-S267 WeakPolarHBondContact CG2-O 3.03Å; S267-Q283 VanDerWaalsContact OG-CB 3.22Å; S267-Q283 WeakPolarHBondContact OG-CB 3.1Å; S267-Q283 PolarHBondContact OG-OE1 2.76Å; S267-Q283 VanDerWaalsContact OG-OE1 3.05Å
268	N	90.5	Very high	81.4	Confident	133 Å²	133	74.1 Å²	74.1	71%	0.711	41%	0.411	S	S	*	.	P	Polyproline II helix	trans	-63.8	146	176.3	-65.8	-24.1	0	0	0	110.7	H270	N268-H270 PolarHBondContact O-CD2 3.15Å; N268-H270 PolarHBondContact O-N 3.35Å
269	I	91.4	Very high	80	Confident	67 Å²	67	67.4 Å²	67.4	34%	0.344	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	120.2	170.9	-58	168.2	0	0	0	107.4	V205 I262 I265 A284 E286	V205-I269 HydrophobicContact CB-CG2 4.25Å; V205-I269 HydrophobicContact CG1-CD1 4.27Å; V205-I269 HydrophobicContact CG2-CD1 4.12Å; V205-I269 HydrophobicContact CG2-CG1 4.3Å; V205-I269 HydrophobicContact CG2-CG2 4.19Å; I262-I269 HydrophobicContact CD1-CD1 4.25Å; I265-I269 HydrophobicContact CD1-CG1 4.49Å; I269-A284 HydrophobicContact CG1-CB 4.14Å; I269-E286 HydrophobicContact CG2-CB 4.02Å
270	H	89.6	Confident	79	Confident	64 Å²	64	66.1 Å²	66.1	30%	0.296	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	127	-178	-73.5	-93.9	0	0	0	111.5	N268 Y282 A284 I285 E286	N268-H270 PolarHBondContact O-CD2 3.15Å; N268-H270 PolarHBondContact O-N 3.35Å; H270-Y282 HydrophobicContact CB-CD1 4.38Å; H270-Y282 HydrophobicContact CB-CD2 3.85Å; H270-Y282 HydrophobicContact CB-CE2 4.15Å; H270-Y282 HydrophobicContact CB-CG 3.98Å; H270-Y282 AromaticContact CD2-CD1 3.3Å; H270-Y282 WeakPolarHBondContact CD2-CD1 3.38Å; H270-Y282 AromaticContact CD2-CE1 3.82Å; H270-Y282 AromaticContact CD2-CG 3.6Å; H270-Y282 AromaticContact CE1-CD1 3.68Å; H270-Y282 AromaticContact CE1-CE1 3.39Å; H270-Y282 WeakPolarHBondContact CE1-CE1 3.46Å; H270-Y282 AromaticContact CG-CD1 3.6Å; H270-Y282 AromaticContact CG-CD2 3.95Å; H270-Y282 AromaticContact CG-CE1 3.79Å; H270-Y282 AromaticContact CG-CG 3.69Å; H270-Y282 AromaticContact ND1-CD1 3.82Å; H270-Y282 AromaticContact ND1-CE1 3.52Å; H270-Y282 AromaticContact ND1-CZ 3.7Å; H270-Y282 AromaticContact NE2-CD1 3.36Å; H270-Y282 WeakPolarHBondContact NE2-CD1 3.46Å; H270-Y282 AromaticContact NE2-CE1 3.58Å; H270-A284 PolarHBondContact N-O 3.2Å; H270-A284 VanDerWaalsContact N-O 3.1Å; H270-I285 CarbonylContact O-C 3.45Å; H270-I285 VanDerWaalsContact O-CA 3.24Å; H270-I285 WeakPolarHBondContact O-CA 3.03Å; H270-E286 PolarHBondContact O-N 2.92Å
271	S	84.2	Confident	78.3	Confident	83 Å²	83	71.8 Å²	71.8	58%	0.58	41%	0.407	S	S	*	.			trans	-92.2	-15.5	179.3	56.3	0	0	0	0	114.5	F273 E286	S271-F273 PolarHBondContact O-N 3.26Å; S271-F273 VanDerWaalsContact O-N 3.08Å; S271-E286 WeakPolarHBondContact CB-OE2 3.18Å
272	D	70.5	Confident	78	Confident	91 Å²	91	72.5 Å²	72.5	49%	0.487	40%	0.403	S	S	.	.			trans	-82.2	88.5	179.7	-168.9	2.1	0	0	0	111.5	S274	D272-S274 WeakPolarHBondContact OD1-CB 3.45Å; D272-S274 PolarHBondContact OD1-N 2.77Å; D272-S274 PolarHBondContact OD1-OG 3.48Å
273	F	67.7	Low	77.9	Confident	8 Å²	8	72.4 Å²	72.4	4%	0.035	40%	0.401	C	S	.	.			trans	-92.4	1.9	174.9	-165.2	-108.1	0	0	0	113.3	M227 S271 A275 S279 I285 P288 F297 W299	M227-F273 HydrophobicContact CE-CD1 4.28Å; M227-F273 HydrophobicContact CE-CE1 4.14Å; M227-F273 HydrophobicContact SD-CE1 4.41Å; M227-F273 HydrophobicContact SD-CZ 4.47Å; S271-F273 PolarHBondContact O-N 3.26Å; S271-F273 VanDerWaalsContact O-N 3.08Å; F273-A275 PolarHBondContact O-N 3.28Å; F273-A275 VanDerWaalsContact O-N 3.15Å; F273-S279 WeakPolarHBondContact CE2-OG 3.36Å; F273-I285 HydrophobicContact CD2-CD1 3.52Å; F273-I285 HydrophobicContact CE2-CD1 3.42Å; F273-I285 VanDerWaalsContact CE2-CD1 3.42Å; F273-I285 HydrophobicContact CZ-CD1 4.45Å; F273-P288 HydrophobicContact CB-CG 4.31Å; F273-P288 HydrophobicContact CD1-CG 4.37Å; F273-F297 AromaticContact CD1-CE2 3.73Å; F273-F297 HydrophobicContact CD1-CE2 3.73Å; F273-F297 HydrophobicContact CD1-CZ 4.13Å; F273-F297 AromaticContact CE1-CD2 3.94Å; F273-F297 HydrophobicContact CE1-CD2 3.94Å; F273-F297 HydrophobicContact CE1-CE1 4.28Å; F273-F297 AromaticContact CE1-CE2 3.23Å; F273-F297 HydrophobicContact CE1-CE2 3.23Å; F273-F297 AromaticContact CE1-CZ 3.42Å; F273-F297 HydrophobicContact CE1-CZ 3.42Å; F273-F297 VanDerWaalsContact CE1-CZ 3.42Å; F273-F297 HydrophobicContact CZ-CE1 4.3Å; F273-F297 HydrophobicContact CZ-CE2 4.02Å; F273-F297 AromaticContact CZ-CZ 3.7Å; F273-F297 HydrophobicContact CZ-CZ 3.7Å; F273-W299 HydrophobicContact CE1-CH2 4.22Å; F273-W299 AromaticContact CE1-CZ2 3.83Å; F273-W299 HydrophobicContact CE1-CZ2 3.83Å; F273-W299 HydrophobicContact CZ-CZ2 4.05Å
274	S	58.5	Low	77.9	Confident	85 Å²	85	65.4 Å²	65.4	59%	0.594	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.5	-17.9	-177.5	69.6	0	0	0	0	113.3	D272 G276	D272-S274 WeakPolarHBondContact OD1-CB 3.45Å; D272-S274 PolarHBondContact OD1-N 2.77Å; D272-S274 PolarHBondContact OD1-OG 3.48Å; S274-G276 VanDerWaalsContact C-N 3.32Å; S274-G276 PolarHBondContact O-N 3.19Å
275	A	47.1	Very low	77.8	Confident	49 Å²	49	63.7 Å²	63.7	41%	0.405	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.2	18.5	-167.8	0	0	0	0	0	116	F273 E277 A278	F273-A275 PolarHBondContact O-N 3.28Å; F273-A275 VanDerWaalsContact O-N 3.15Å; A275-E277 PolarHBondContact O-N 2.87Å; A275-A278 HydrophobicContact CB-CB 3.68Å; A275-A278 PolarHBondContact O-N 3.21Å
276	G	58.7	Low	77.8	Confident	20 Å²	20	66.7 Å²	66.7	21%	0.206	37%	0.368	C	S	.	.	G	3₁₀ helix	trans	56.5	-107	171.7	0	0	0	0	0	112.8	S274 S279	S274-G276 VanDerWaalsContact C-N 3.32Å; S274-G276 PolarHBondContact O-N 3.19Å; G276-S279 PolarHBondContact O-OG 3.47Å
277	E	55	Low	77.9	Confident	170 Å²	170	59.9 Å²	59.9	79%	0.794	34%	0.337	S	S	*	.	G	3₁₀ helix	trans	-68	-29.9	178.4	-66.5	-174.2	165.9	0	0	114.4	A275 S279 N280	A275-E277 PolarHBondContact O-N 2.87Å; E277-S279 PolarHBondContact O-N 3.16Å; E277-N280 WeakPolarHBondContact O-CB 3.47Å; E277-N280 PolarHBondContact O-N 2.93Å
278	A	53.2	Low	78	Confident	42 Å²	42	58.6 Å²	58.6	35%	0.347	33%	0.328	S	S	.	.	G	3₁₀ helix	trans	-65.1	-23.3	-178.3	0	0	0	0	0	112	A275 N280 I281	A275-A278 HydrophobicContact CB-CB 3.68Å; A275-A278 PolarHBondContact O-N 3.21Å; A278-N280 PolarHBondContact O-N 2.56Å; A278-N280 VanDerWaalsContact O-N 3.15Å; A278-I281 VanDerWaalsContact O-CG1 3.25Å; A278-I281 WeakPolarHBondContact O-CG1 3.27Å; A278-I281 PolarHBondContact O-N 3.15Å
279	S	66.3	Low	78	Confident	3 Å²	3	58.3 Å²	58.3	2%	0.021	32%	0.317	C	S	.	.	G	3₁₀ helix	trans	-61.5	-20.8	173.9	71.8	0	0	0	0	113.4	R233 F273 G276 E277 I281 Y282	R233-S279 PolarHBondContact NH2-O 3.4Å; F273-S279 WeakPolarHBondContact CE2-OG 3.36Å; G276-S279 PolarHBondContact O-OG 3.47Å; E277-S279 PolarHBondContact O-N 3.16Å; S279-I281 VanDerWaalsContact C-N 3.26Å; S279-I281 PolarHBondContact O-N 2.89Å; S279-Y282 PolarHBondContact O-N 3.05Å
280	N	74.2	Confident	78	Confident	76 Å²	76	56 Å²	56	41%	0.406	31%	0.305	S	S	.	.	G	3₁₀ helix	trans	-70	-18.3	-179	-77.4	-32.4	0	0	0	113.7	K202 E277 A278	K202-N280 PolarHBondContact NZ-O 3.07Å; E277-N280 WeakPolarHBondContact O-CB 3.47Å; E277-N280 PolarHBondContact O-N 2.93Å; A278-N280 PolarHBondContact O-N 2.56Å; A278-N280 VanDerWaalsContact O-N 3.15Å
281	I	82.7	Confident	77.9	Confident	128 Å²	128	58.6 Å²	58.6	66%	0.656	32%	0.321	S	S	*	.	G	3₁₀ helix	trans	-79.5	-27.2	-179.3	74.8	-165.5	0	0	0	112.5	A278 S279	A278-I281 VanDerWaalsContact O-CG1 3.25Å; A278-I281 WeakPolarHBondContact O-CG1 3.27Å; A278-I281 PolarHBondContact O-N 3.15Å; S279-I281 VanDerWaalsContact C-N 3.26Å; S279-I281 PolarHBondContact O-N 2.89Å
282	Y	89.8	Confident	78.1	Confident	61 Å²	61	58 Å²	58	24%	0.239	32%	0.321	C	S	.	.			trans	-77.3	135.1	-174.8	-56.1	-51.2	0	0	0	111.6	R233 H270 S279 I285	R233-Y282 PolarHBondContact NH1-O 3.49Å; R233-Y282 PolarHBondContact NH2-O 3.4Å; H270-Y282 HydrophobicContact CB-CD1 4.38Å; H270-Y282 HydrophobicContact CB-CD2 3.85Å; H270-Y282 HydrophobicContact CB-CE2 4.15Å; H270-Y282 HydrophobicContact CB-CG 3.98Å; H270-Y282 AromaticContact CD2-CD1 3.3Å; H270-Y282 WeakPolarHBondContact CD2-CD1 3.38Å; H270-Y282 AromaticContact CD2-CE1 3.82Å; H270-Y282 AromaticContact CD2-CG 3.6Å; H270-Y282 AromaticContact CE1-CD1 3.68Å; H270-Y282 AromaticContact CE1-CE1 3.39Å; H270-Y282 WeakPolarHBondContact CE1-CE1 3.46Å; H270-Y282 AromaticContact CG-CD1 3.6Å; H270-Y282 AromaticContact CG-CD2 3.95Å; H270-Y282 AromaticContact CG-CE1 3.79Å; H270-Y282 AromaticContact CG-CG 3.69Å; H270-Y282 AromaticContact ND1-CD1 3.82Å; H270-Y282 AromaticContact ND1-CE1 3.52Å; H270-Y282 AromaticContact ND1-CZ 3.7Å; H270-Y282 AromaticContact NE2-CD1 3.36Å; H270-Y282 WeakPolarHBondContact NE2-CD1 3.46Å; H270-Y282 AromaticContact NE2-CE1 3.58Å; S279-Y282 PolarHBondContact O-N 3.05Å; Y282-I285 HydrophobicContact CD2-CG2 4.12Å; Y282-I285 HydrophobicContact CG-CG2 4.5Å
283	Q	92.7	Very high	78.9	Confident	31 Å²	31	54.4 Å²	54.4	15%	0.145	30%	0.302	C	S	.	.	S	Bend	trans	-63.4	-49.7	172	-168	-169.1	11.3	0	0	109.9	T199 A201 K202 Y203 R233 S267	T199-Q283 PolarHBondContact O-NE2 3.15Å; A201-Q283 VanDerWaalsContact O-CG 3.24Å; A201-Q283 WeakPolarHBondContact O-CG 3.41Å; K202-Q283 CarbonylContact C-O 3.48Å; K202-Q283 WeakPolarHBondContact CA-O 3.28Å; Y203-Q283 HydrophobicContact CD2-CG 4.38Å; Y203-Q283 PolarHBondContact N-O 2.76Å; R233-Q283 PolarHBondContact NH1-O 3.16Å; S267-Q283 VanDerWaalsContact OG-CB 3.22Å; S267-Q283 WeakPolarHBondContact OG-CB 3.1Å; S267-Q283 PolarHBondContact OG-OE1 2.76Å; S267-Q283 VanDerWaalsContact OG-OE1 3.05Å
284	A	94.3	Very high	79.7	Confident	0 Å²	0	55.8 Å²	55.8	0%	0	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	136.5	-179.4	0	0	0	0	0	111.8	V205 I265 I269 H270	V205-A284 HydrophobicContact CG2-CB 4.34Å; I265-A284 HydrophobicContact CD1-CB 3.89Å; I265-A284 HydrophobicContact CG1-CB 4.31Å; I265-A284 HydrophobicContact CG2-CB 3.55Å; I269-A284 HydrophobicContact CG1-CB 4.14Å; H270-A284 PolarHBondContact N-O 3.2Å; H270-A284 VanDerWaalsContact N-O 3.1Å
285	I	93.3	Very high	80.9	Confident	1 Å²	1	57.5 Å²	57.5	1%	0.005	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	143.1	172.9	56.9	171.1	0	0	0	109.7	Y203 V204 V205 H270 F273 Y282	Y203-I285 WeakPolarHBondContact O-CG1 3.24Å; Y203-I285 PolarHBondContact O-N 3.03Å; V204-I285 CarbonylContact C-O 3.37Å; V204-I285 WeakPolarHBondContact CA-O 3.45Å; V204-I285 HydrophobicContact CG2-CD1 4.05Å; V204-I285 HydrophobicContact CG2-CG1 4.04Å; V205-I285 PolarHBondContact N-O 3.35Å; H270-I285 CarbonylContact O-C 3.45Å; H270-I285 VanDerWaalsContact O-CA 3.24Å; H270-I285 WeakPolarHBondContact O-CA 3.03Å; F273-I285 HydrophobicContact CD2-CD1 3.52Å; F273-I285 HydrophobicContact CE2-CD1 3.42Å; F273-I285 VanDerWaalsContact CE2-CD1 3.42Å; F273-I285 HydrophobicContact CZ-CD1 4.45Å; Y282-I285 HydrophobicContact CD2-CG2 4.12Å; Y282-I285 HydrophobicContact CG-CG2 4.5Å
286	E	93.1	Very high	82.6	Confident	88 Å²	88	58.8 Å²	58.8	41%	0.411	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	136.5	170.5	-168.8	-179.4	174.5	0	0	109.1	I269 H270 S271 P288	I269-E286 HydrophobicContact CG2-CB 4.02Å; H270-E286 PolarHBondContact O-N 2.92Å; S271-E286 WeakPolarHBondContact CB-OE2 3.18Å; E286-P288 WeakPolarHBondContact O-CD 3.38Å
287	C	93.6	Very high	84.1	Confident	7 Å²	7	59 Å²	59	5%	0.047	33%	0.327	C	S	.	.			trans	-71.9	110.4	174.5	-179.7	0	0	0	0	109.9	V204 V205 A206 C224	V204-C287 HydrophobicContact CG1-CB 3.74Å; V205-C287 WeakPolarHBondContact O-CB 3.24Å; V205-C287 PolarHBondContact O-N 3.18Å; A206-C287 HydrophobicContact CB-CB 4.28Å; C224-C287 WeakPolarHBondContact CA-SG 3.47Å; C224-C287 HydrophobicContact CB-CB 3.77Å; C224-C287 WeakPolarHBondContact CB-SG 3.34Å; C224-C287 WeakPolarHBondContact SG-CB 3.48Å; C224-C287 CovalentContact SG-SG 2.03Å; C224-C287 PolarHBondContact SG-SG 3.45Å
288	P	91.9	Very high	85.8	Confident	24 Å²	24	56 Å²	56	16%	0.156	32%	0.316	C	S	.	.			trans	-66.5	171.9	175.2	31	-40.4	0	0	0	111.5	M227 F273 E286 A292 V293	M227-P288 HydrophobicContact CE-CG 3.72Å; F273-P288 HydrophobicContact CB-CG 4.31Å; F273-P288 HydrophobicContact CD1-CG 4.37Å; E286-P288 WeakPolarHBondContact O-CD 3.38Å; P288-A292 HydrophobicContact CB-CB 4.29Å; P288-V293 HydrophobicContact CG-CG2 3.7Å
289	R	90	Very high	87.7	Confident	127 Å²	127	55 Å²	55	48%	0.479	30%	0.303	S	S	.	.			trans	-67.4	145.7	164.5	-50.2	-172.5	168.6	-178.6	1.2	110.6	R210 D291 A292 V293	R210-R289 VanDerWaalsContact NH2-CG 3.3Å; R289-D291 WeakPolarHBondContact CB-OD1 3.38Å; R289-D291 PolarHBondContact O-N 3.1Å; R289-D291 VanDerWaalsContact O-N 3.17Å; R289-A292 CarbonylContact O-C 3.6Å; R289-A292 WeakPolarHBondContact O-CA 3.38Å; R289-A292 WeakPolarHBondContact O-CB 3.18Å; R289-A292 PolarHBondContact O-N 2.73Å; R289-V293 PolarHBondContact O-N 2.8Å
290	I	91.4	Very high	89.1	Confident	19 Å²	19	55.2 Å²	55.2	10%	0.097	30%	0.304	C	S	.	.	G	3₁₀ helix	trans	-56.4	-34.6	-177.9	-170.8	171.2	0	0	0	112.8	A292 V293 V300 P301 F521 G522 G523	I290-A292 VanDerWaalsContact C-N 3.26Å; I290-A292 PolarHBondContact O-N 3.04Å; I290-V293 WeakPolarHBondContact O-CB 3.22Å; I290-V293 PolarHBondContact O-N 3Å; I290-V300 HydrophobicContact CD1-CG1 4.22Å; I290-V300 HydrophobicContact CG1-CG1 4.15Å; I290-P301 HydrophobicContact CD1-CB 4.29Å; I290-P301 HydrophobicContact CD1-CG 3.98Å; I290-F521 HydrophobicContact CD1-CD1 3.8Å; I290-F521 HydrophobicContact CD1-CE1 3.76Å; I290-G522 WeakPolarHBondContact CG2-O 3.34Å; I290-G523 WeakPolarHBondContact CG1-O 3.42Å
291	D	87.3	Confident	90.2	Very high	118 Å²	118	51.6 Å²	51.6	63%	0.631	29%	0.285	S	S	*	.	G	3₁₀ helix	trans	-71	-17.9	175	55.2	-41	0	0	0	113.9	R289	R289-D291 WeakPolarHBondContact CB-OD1 3.38Å; R289-D291 PolarHBondContact O-N 3.1Å; R289-D291 VanDerWaalsContact O-N 3.17Å
292	A	88.8	Confident	90.8	Very high	69 Å²	69	46.2 Å²	46.2	57%	0.57	26%	0.258	S	S	*	.	G	3₁₀ helix	trans	-95.3	-4.2	173.3	0	0	0	0	0	112.9	P288 R289 I290	P288-A292 HydrophobicContact CB-CB 4.29Å; R289-A292 CarbonylContact O-C 3.6Å; R289-A292 WeakPolarHBondContact O-CA 3.38Å; R289-A292 WeakPolarHBondContact O-CB 3.18Å; R289-A292 PolarHBondContact O-N 2.73Å; I290-A292 VanDerWaalsContact C-N 3.26Å; I290-A292 PolarHBondContact O-N 3.04Å
293	V	87.9	Confident	91.1	Very high	16 Å²	16	43.3 Å²	43.3	10%	0.097	25%	0.247	C	C	.	.	S	Bend	trans	-73.4	133.3	174.8	178.9	0	0	0	0	109.2	M227 P288 R289 I290 S295 F297 W299 V300	M227-V293 HydrophobicContact CE-CG2 3.78Å; P288-V293 HydrophobicContact CG-CG2 3.7Å; R289-V293 PolarHBondContact O-N 2.8Å; I290-V293 WeakPolarHBondContact O-CB 3.22Å; I290-V293 PolarHBondContact O-N 3Å; V293-S295 PolarHBondContact O-N 2.78Å; V293-F297 HydrophobicContact CG1-CB 4.39Å; V293-F297 HydrophobicContact CG1-CD2 3.62Å; V293-F297 HydrophobicContact CG1-CE2 4.37Å; V293-F297 HydrophobicContact CG1-CG 4.43Å; V293-W299 HydrophobicContact CG1-CH2 3.96Å; V293-W299 HydrophobicContact CG1-CZ2 4.41Å; V293-V300 HydrophobicContact CB-CG2 4.42Å; V293-V300 HydrophobicContact CG1-CG2 3.61Å
294	S	83.8	Confident	91.3	Very high	37 Å²	37	41.8 Å²	41.8	26%	0.259	24%	0.24	S	C	.	.			trans	-55.5	131.6	178.2	178.8	0	0	0	0	111.2	S296 F297	S294-S296 PolarHBondContact O-N 3.38Å; S294-S296 WeakPolarHBondContact OG-CB 3.39Å; S294-S296 PolarHBondContact OG-N 3.46Å; S294-S296 PolarHBondContact OG-OG 2.96Å; S294-F297 WeakPolarHBondContact O-CD2 3.35Å; S294-F297 PolarHBondContact O-N 3.42Å; S294-F297 VanDerWaalsContact O-N 3.1Å
295	S	82.6	Confident	91.4	Very high	122 Å²	122	41.8 Å²	41.8	85%	0.853	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61	-9.9	172.4	62.8	0	0	0	0	114.3	V293 F297	V293-S295 PolarHBondContact O-N 2.78Å; S295-F297 PolarHBondContact O-N 2.99Å
296	S	84.4	Confident	91.5	Very high	76 Å²	76	43.9 Å²	43.9	53%	0.531	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.9	-9.3	173.5	67.5	0	0	0	0	113.9	S294	S294-S296 PolarHBondContact O-N 3.38Å; S294-S296 WeakPolarHBondContact OG-CB 3.39Å; S294-S296 PolarHBondContact OG-N 3.46Å; S294-S296 PolarHBondContact OG-OG 2.96Å
297	F	89.4	Confident	91.4	Very high	25 Å²	25	40 Å²	40	11%	0.11	24%	0.236	C	C	.	.			trans	-91.4	106.8	179.8	-68.4	-60.6	0	0	0	111.4	F273 V293 S294 S295 W299 V300	F273-F297 AromaticContact CD1-CE2 3.73Å; F273-F297 HydrophobicContact CD1-CE2 3.73Å; F273-F297 HydrophobicContact CD1-CZ 4.13Å; F273-F297 AromaticContact CE1-CD2 3.94Å; F273-F297 HydrophobicContact CE1-CD2 3.94Å; F273-F297 HydrophobicContact CE1-CE1 4.28Å; F273-F297 AromaticContact CE1-CE2 3.23Å; F273-F297 HydrophobicContact CE1-CE2 3.23Å; F273-F297 AromaticContact CE1-CZ 3.42Å; F273-F297 HydrophobicContact CE1-CZ 3.42Å; F273-F297 VanDerWaalsContact CE1-CZ 3.42Å; F273-F297 HydrophobicContact CZ-CE1 4.3Å; F273-F297 HydrophobicContact CZ-CE2 4.02Å; F273-F297 AromaticContact CZ-CZ 3.7Å; F273-F297 HydrophobicContact CZ-CZ 3.7Å; V293-F297 HydrophobicContact CG1-CB 4.39Å; V293-F297 HydrophobicContact CG1-CD2 3.62Å; V293-F297 HydrophobicContact CG1-CE2 4.37Å; V293-F297 HydrophobicContact CG1-CG 4.43Å; S294-F297 WeakPolarHBondContact O-CD2 3.35Å; S294-F297 PolarHBondContact O-N 3.42Å; S294-F297 VanDerWaalsContact O-N 3.1Å; S295-F297 PolarHBondContact O-N 2.99Å; F297-W299 HydrophobicContact CB-CD2 4.31Å; F297-W299 HydrophobicContact CB-CZ2 3.93Å; F297-W299 AromaticContact CD1-CE2 3.93Å; F297-W299 HydrophobicContact CD1-CZ2 4.06Å; F297-W299 AromaticContact CD1-NE1 3.35Å; F297-W299 HydrophobicContact CD2-CZ2 4.06Å; F297-W299 AromaticContact CG-CE2 3.85Å; F297-W299 AromaticContact CG-CZ2 3.76Å; F297-W299 HydrophobicContact CG-CZ2 3.76Å; F297-W299 AromaticContact CG-NE1 3.7Å; F297-W299 PolarHBondContact O-N 3.32Å; F297-V300 HydrophobicContact CB-CG2 3.98Å; F297-V300 WeakPolarHBondContact O-CG2 3.44Å; F297-V300 PolarHBondContact O-N 3.04Å
298	D	91.6	Very high	91.4	Very high	106 Å²	106	39.9 Å²	39.9	57%	0.567	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70	-14.1	-178.5	-60.5	-19.4	0	0	0	113.6	V300 A303 Q525 A582	D298-V300 VanDerWaalsContact C-N 3.35Å; D298-A303 WeakPolarHBondContact O-CB 3.41Å; D298-Q525 PolarHBondContact O-NE2 3.22Å; D298-A582 HydrophobicContact CB-CB 4.19Å; D298-A582 WeakPolarHBondContact O-CB 3.09Å
299	W	93.3	Very high	91.4	Very high	21 Å²	21	39.5 Å²	39.5	8%	0.08	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.8	-3.9	179.9	58	-105.7	0	0	0	113.9	Q226 M227 A230 F273 V293 F297 A582 M584	Q226-W299 PolarHBondContact NE2-O 3.38Å; M227-W299 HydrophobicContact CB-CH2 3.78Å; M227-W299 HydrophobicContact CB-CZ3 3.74Å; M227-W299 HydrophobicContact CE-CH2 3.61Å; M227-W299 HydrophobicContact CE-CZ3 4.33Å; M227-W299 HydrophobicContact CG-CH2 3.59Å; M227-W299 HydrophobicContact CG-CZ2 4.15Å; M227-W299 HydrophobicContact CG-CZ3 4.1Å; M227-W299 HydrophobicContact SD-CH2 4.41Å; A230-W299 HydrophobicContact CB-CB 3.79Å; A230-W299 HydrophobicContact CB-CD2 3.6Å; A230-W299 HydrophobicContact CB-CE3 4.05Å; A230-W299 HydrophobicContact CB-CG 3.45Å; A230-W299 VanDerWaalsContact CB-CG 3.45Å; F273-W299 HydrophobicContact CE1-CH2 4.22Å; F273-W299 AromaticContact CE1-CZ2 3.83Å; F273-W299 HydrophobicContact CE1-CZ2 3.83Å; F273-W299 HydrophobicContact CZ-CZ2 4.05Å; V293-W299 HydrophobicContact CG1-CH2 3.96Å; V293-W299 HydrophobicContact CG1-CZ2 4.41Å; F297-W299 HydrophobicContact CB-CD2 4.31Å; F297-W299 HydrophobicContact CB-CZ2 3.93Å; F297-W299 AromaticContact CD1-CE2 3.93Å; F297-W299 HydrophobicContact CD1-CZ2 4.06Å; F297-W299 AromaticContact CD1-NE1 3.35Å; F297-W299 HydrophobicContact CD2-CZ2 4.06Å; F297-W299 AromaticContact CG-CE2 3.85Å; F297-W299 AromaticContact CG-CZ2 3.76Å; F297-W299 HydrophobicContact CG-CZ2 3.76Å; F297-W299 AromaticContact CG-NE1 3.7Å; F297-W299 PolarHBondContact O-N 3.32Å; W299-A582 HydrophobicContact CB-CB 3.86Å; W299-M584 HydrophobicContact CB-CE 3.86Å; W299-M584 HydrophobicContact CB-CG 4.25Å
300	V	94.9	Very high	91.2	Very high	8 Å²	8	38.7 Å²	38.7	5%	0.048	23%	0.233	C	C	.	.	S	Bend	trans	-59.8	144.6	177.1	176	0	0	0	0	109.8	I290 V293 F297 D298 A303 Q525	I290-V300 HydrophobicContact CD1-CG1 4.22Å; I290-V300 HydrophobicContact CG1-CG1 4.15Å; V293-V300 HydrophobicContact CB-CG2 4.42Å; V293-V300 HydrophobicContact CG1-CG2 3.61Å; F297-V300 HydrophobicContact CB-CG2 3.98Å; F297-V300 WeakPolarHBondContact O-CG2 3.44Å; F297-V300 PolarHBondContact O-N 3.04Å; D298-V300 VanDerWaalsContact C-N 3.35Å; V300-A303 VanDerWaalsContact O-CB 3.3Å; V300-A303 WeakPolarHBondContact O-CB 3.43Å; V300-A303 PolarHBondContact O-N 2.6Å; V300-Q525 HydrophobicContact CB-CB 4.23Å; V300-Q525 HydrophobicContact CB-CG 4.45Å; V300-Q525 HydrophobicContact CG1-CB 4.13Å; V300-Q525 PolarHBondContact O-NE2 3.13Å
301	P	96.5	Very high	91.2	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-44.5	137.2	171	-34.7	38.6	0	0	0	112.6	I290 F320 F521 Q524 Q525	I290-P301 HydrophobicContact CD1-CB 4.29Å; I290-P301 HydrophobicContact CD1-CG 3.98Å; P301-F320 HydrophobicContact CB-CE2 3.94Å; P301-F320 HydrophobicContact CB-CZ 3.62Å; P301-F320 HydrophobicContact CG-CE2 4.38Å; P301-F320 HydrophobicContact CG-CZ 4.24Å; P301-F521 HydrophobicContact CB-CB 3.98Å; P301-F521 HydrophobicContact CB-CD1 3.64Å; P301-F521 HydrophobicContact CB-CE1 4.24Å; P301-F521 HydrophobicContact CB-CG 3.79Å; P301-F521 HydrophobicContact CG-CD1 3.87Å; P301-F521 HydrophobicContact CG-CE1 3.94Å; P301-F521 HydrophobicContact CG-CG 4.31Å; P301-F521 HydrophobicContact CG-CZ 4.41Å; P301-Q524 HydrophobicContact CB-CB 4.41Å; P301-Q524 CarbonylContact O-C 3.52Å; P301-Q524 VanDerWaalsContact O-CA 3.22Å; P301-Q524 WeakPolarHBondContact O-CA 3.39Å; P301-Q524 WeakPolarHBondContact O-CB 3.14Å; P301-Q525 WeakPolarHBondContact O-CG 3.33Å; P301-Q525 PolarHBondContact O-N 3.44Å
302	P	96.2	Very high	91.4	Very high	14 Å²	14	32.8 Å²	32.8	9%	0.091	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	cis	-98.1	41.8	9.5	40.4	-35.5	0	0	0	114.2	F320 L580	P302-F320 HydrophobicContact CB-CB 4.06Å; P302-F320 HydrophobicContact CB-CD1 3.37Å; P302-F320 HydrophobicContact CB-CD2 3.91Å; P302-F320 HydrophobicContact CB-CE1 3.76Å; P302-F320 HydrophobicContact CB-CE2 4.26Å; P302-F320 HydrophobicContact CB-CG 3.45Å; P302-F320 VanDerWaalsContact CB-CG 3.45Å; P302-F320 HydrophobicContact CB-CZ 4.2Å; P302-F320 WeakPolarHBondContact O-CB 2.91Å; P302-F320 WeakPolarHBondContact O-CD2 3.48Å; P302-F320 WeakPolarHBondContact O-CG 3.41Å; P302-L580 HydrophobicContact CG-CD1 4.2Å
303	A	96.1	Very high	91.4	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	144.4	177.1	0	0	0	0	0	113.2	Q226 D298 V300 L580 A582 M584	Q226-A303 PolarHBondContact NE2-O 2.98Å; D298-A303 WeakPolarHBondContact O-CB 3.41Å; V300-A303 VanDerWaalsContact O-CB 3.3Å; V300-A303 WeakPolarHBondContact O-CB 3.43Å; V300-A303 PolarHBondContact O-N 2.6Å; A303-L580 WeakPolarHBondContact CA-O 3.5Å; A303-L580 HydrophobicContact CB-CB 4.39Å; A303-A582 HydrophobicContact CB-CB 4.26Å; A303-M584 HydrophobicContact CB-CE 4.17Å
304	V	96.8	Very high	91.4	Very high	0 Å²	0	32 Å²	32	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	146.5	174.9	178.9	0	0	0	0	110	S306 L308 L312 P319 F320 L579 L580 S581 A582	V304-S306 PolarHBondContact O-N 2.81Å; V304-L308 HydrophobicContact CG1-CB 4.44Å; V304-L312 HydrophobicContact CG1-CD1 3.72Å; V304-P319 HydrophobicContact CG2-CB 4.14Å; V304-F320 VanDerWaalsContact CG2-CA 3.49Å; V304-F320 HydrophobicContact CG2-CB 3.86Å; V304-L579 HydrophobicContact CB-CD1 4.22Å; V304-L579 HydrophobicContact CG2-CD1 3.78Å; V304-L580 PolarHBondContact N-O 2.92Å; V304-S581 CarbonylContact O-C 3.43Å; V304-S581 WeakPolarHBondContact O-CA 3.37Å; V304-S581 WeakPolarHBondContact O-CB 3.07Å; V304-A582 PolarHBondContact O-N 2.84Å
305	P	96.6	Very high	91.7	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-53.6	127.1	172.5	-22.8	30	0	0	0	111.6	Y229 H307 L308 S309 F323 M584	Y229-P305 HydrophobicContact CD1-CG 4.29Å; Y229-P305 HydrophobicContact CE1-CB 4.11Å; Y229-P305 HydrophobicContact CE1-CG 3.61Å; P305-H307 WeakPolarHBondContact CB-CE1 3.34Å; P305-H307 PolarHBondContact O-N 3.36Å; P305-L308 HydrophobicContact CB-CD1 4.23Å; P305-L308 HydrophobicContact CB-CG 4.25Å; P305-L308 HydrophobicContact CG-CD1 4.07Å; P305-L308 PolarHBondContact O-N 3.21Å; P305-S309 PolarHBondContact O-N 3.34Å; P305-S309 VanDerWaalsContact O-N 3.16Å; P305-F323 HydrophobicContact CG-CD2 3.83Å; P305-F323 HydrophobicContact CG-CE1 4.13Å; P305-F323 HydrophobicContact CG-CE2 3.37Å; P305-F323 HydrophobicContact CG-CG 4.39Å; P305-F323 HydrophobicContact CG-CZ 3.54Å; P305-M584 HydrophobicContact CB-CB 4.33Å; P305-M584 HydrophobicContact CB-SD 4.15Å; P305-M584 HydrophobicContact CG-SD 3.62Å
306	S	94.7	Very high	92.3	Very high	44 Å²	44	24.5 Å²	24.5	31%	0.308	13%	0.133	S	C	.	.	H	α-helix	trans	-55.8	-38.7	-174	60	0	0	0	0	113.1	V304 L308 S309 A582	V304-S306 PolarHBondContact O-N 2.81Å; S306-L308 VanDerWaalsContact C-N 3.25Å; S306-L308 PolarHBondContact O-N 3.24Å; S306-S309 WeakPolarHBondContact O-CB 3.48Å; S306-S309 PolarHBondContact O-N 2.84Å; S306-S309 VanDerWaalsContact O-N 3.16Å; S306-S309 PolarHBondContact O-OG 2.83Å; S306-A582 PolarHBondContact N-O 3.47Å
307	H	92.2	Very high	92.8	Very high	7 Å²	7	22 Å²	22	3%	0.032	12%	0.119	C	C	.	.	H	α-helix	trans	-66.8	-22.6	178.7	72.4	-80.4	0	0	0	113.6	Y229 P305 R591 F594	Y229-H307 PolarHBondContact OH-CE1 3.43Å; P305-H307 WeakPolarHBondContact CB-CE1 3.34Å; P305-H307 PolarHBondContact O-N 3.36Å; H307-R591 HydrophobicContact CB-CB 4.32Å; H307-R591 PolarHBondContact CE1-NH2 3.34Å; H307-R591 PolarHBondContact NE2-NH2 3.27Å; H307-F594 WeakPolarHBondContact O-CB 3.42Å; H307-F594 PolarHBondContact O-N 3.34Å
308	L	93.2	Very high	93	Very high	5 Å²	5	21.7 Å²	21.7	3%	0.026	12%	0.121	C	C	.	.	H	α-helix	trans	-93.4	-15.4	174.3	-58.1	179.4	0	0	0	113.1	L181 L185 V304 P305 S306 K310 I311 L312 W322	L181-L308 HydrophobicContact CD1-CD2 3.81Å; L181-L308 HydrophobicContact CG-CD2 4.49Å; L185-L308 HydrophobicContact CD2-CD1 4.33Å; V304-L308 HydrophobicContact CG1-CB 4.44Å; P305-L308 HydrophobicContact CB-CD1 4.23Å; P305-L308 HydrophobicContact CB-CG 4.25Å; P305-L308 HydrophobicContact CG-CD1 4.07Å; P305-L308 PolarHBondContact O-N 3.21Å; S306-L308 VanDerWaalsContact C-N 3.25Å; S306-L308 PolarHBondContact O-N 3.24Å; L308-K310 PolarHBondContact O-N 3.17Å; L308-I311 VanDerWaalsContact O-CG2 3.31Å; L308-I311 WeakPolarHBondContact O-CG2 3.5Å; L308-I311 PolarHBondContact O-N 3.19Å; L308-L312 HydrophobicContact CB-CD1 3.62Å; L308-L312 HydrophobicContact CB-CG 4.1Å; L308-L312 HydrophobicContact CD1-CD1 4.3Å; L308-L312 WeakPolarHBondContact O-CB 3.47Å; L308-L312 WeakPolarHBondContact O-CG 3.41Å; L308-L312 PolarHBondContact O-N 3.28Å; L308-W322 HydrophobicContact CD1-CZ3 4.3Å
309	S	90.9	Very high	93.3	Very high	15 Å²	15	17.6 Å²	17.6	11%	0.105	10%	0.1	C	C	.	.	H	α-helix	trans	-56.2	-53.3	-165.4	64.7	0	0	0	0	114.1	P305 S306 T313	P305-S309 PolarHBondContact O-N 3.34Å; P305-S309 VanDerWaalsContact O-N 3.16Å; S306-S309 WeakPolarHBondContact O-CB 3.48Å; S306-S309 PolarHBondContact O-N 2.84Å; S306-S309 VanDerWaalsContact O-N 3.16Å; S306-S309 PolarHBondContact O-OG 2.83Å; S309-T313 WeakPolarHBondContact O-CB 3.25Å; S309-T313 PolarHBondContact O-N 3.41Å; S309-T313 PolarHBondContact O-OG1 3.12Å
310	K	87.8	Confident	93.5	Very high	111 Å²	111	17.2 Å²	17.2	48%	0.483	10%	0.099	S	C	.	.	H	α-helix	trans	-68	-40.3	-177.6	-59.2	-153.2	-152	129.4	0	111.8	L308 T313 R314 E593	L308-K310 PolarHBondContact O-N 3.17Å; K310-T313 PolarHBondContact O-N 3.28Å; K310-R314 PolarHBondContact O-N 3.45Å; K310-R314 VanDerWaalsContact O-N 3.15Å; K310-E593 WeakPolarHBondContact CB-OE1 3.32Å; K310-E593 WeakPolarHBondContact CD-OE1 3.38Å; K310-E593 WeakPolarHBondContact CE-OE1 3.46Å; K310-E593 WeakPolarHBondContact CG-OE1 3.4Å; K310-E593 IonicContact NZ-OE1 3.35Å; K310-E593 PolarHBondContact NZ-OE1 3.22Å; K310-E593 IonicContact NZ-OE2 3.04Å; K310-E593 PolarHBondContact NZ-OE2 3.07Å
311	I	89.4	Confident	93.6	Very high	12 Å²	12	17.2 Å²	17.2	6%	0.062	10%	0.099	C	C	.	.	H	α-helix	trans	-71.8	-39.3	-177.7	-161	52.1	0	0	0	112.2	L181 L308 R314 L315 F594 F596	L181-I311 HydrophobicContact CD1-CG2 4.38Å; L181-I311 HydrophobicContact CD2-CG2 3.96Å; L308-I311 VanDerWaalsContact O-CG2 3.31Å; L308-I311 WeakPolarHBondContact O-CG2 3.5Å; L308-I311 PolarHBondContact O-N 3.19Å; I311-R314 WeakPolarHBondContact O-CB 2.91Å; I311-R314 PolarHBondContact O-N 3.32Å; I311-L315 HydrophobicContact CD1-CD1 4.46Å; I311-L315 HydrophobicContact CD1-CG 4.49Å; I311-L315 HydrophobicContact CG1-CD1 4.02Å; I311-L315 HydrophobicContact CG1-CG 4.48Å; I311-L315 WeakPolarHBondContact O-CG 3.24Å; I311-L315 PolarHBondContact O-N 2.87Å; I311-F594 HydrophobicContact CG2-CB 4.33Å; I311-F594 HydrophobicContact CG2-CD1 4.45Å; I311-F596 HydrophobicContact CD1-CD2 3.63Å; I311-F596 HydrophobicContact CD1-CE2 3.33Å; I311-F596 HydrophobicContact CD1-CZ 4.46Å; I311-F596 HydrophobicContact CG1-CD2 3.86Å; I311-F596 HydrophobicContact CG1-CE2 3.2Å; I311-F596 HydrophobicContact CG1-CZ 3.9Å
312	L	91.5	Very high	93.7	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-66.2	-38.5	172	-74.2	174.3	0	0	0	112.3	L181 V304 L308 R314 L315 H316 P319 W322	L181-L312 HydrophobicContact CD2-CD2 3.41Å; L181-L312 VanDerWaalsContact CD2-CD2 3.41Å; L181-L312 HydrophobicContact CD2-CG 3.87Å; V304-L312 HydrophobicContact CG1-CD1 3.72Å; L308-L312 HydrophobicContact CB-CD1 3.62Å; L308-L312 HydrophobicContact CB-CG 4.1Å; L308-L312 HydrophobicContact CD1-CD1 4.3Å; L308-L312 WeakPolarHBondContact O-CB 3.47Å; L308-L312 WeakPolarHBondContact O-CG 3.41Å; L308-L312 PolarHBondContact O-N 3.28Å; L312-R314 PolarHBondContact O-N 3.49Å; L312-L315 PolarHBondContact O-N 3.02Å; L312-L315 VanDerWaalsContact O-N 3.14Å; L312-H316 PolarHBondContact O-N 2.9Å; L312-P319 HydrophobicContact CB-CB 3.97Å; L312-P319 HydrophobicContact CB-CG 4.47Å; L312-W322 HydrophobicContact CD1-CD2 4.45Å; L312-W322 HydrophobicContact CD1-CE3 3.52Å; L312-W322 HydrophobicContact CD1-CZ3 3.72Å; L312-W322 HydrophobicContact CD2-CD2 3.48Å; L312-W322 VanDerWaalsContact CD2-CD2 3.48Å; L312-W322 HydrophobicContact CD2-CE3 3.32Å; L312-W322 HydrophobicContact CD2-CG 4.12Å; L312-W322 HydrophobicContact CD2-CH2 4.04Å; L312-W322 HydrophobicContact CD2-CZ2 4.17Å; L312-W322 HydrophobicContact CD2-CZ3 3.64Å; L312-W322 HydrophobicContact CG-CE3 4.07Å; L312-W322 HydrophobicContact CG-CZ3 4.24Å
313	T	89.3	Confident	93.8	Very high	30 Å²	30	16.5 Å²	16.5	18%	0.184	9%	0.094	C	C	.	.	H	α-helix	trans	-58.8	-35.5	175.1	-58.9	0	0	0	0	111.6	M94 I98 R101 S309 K310 L579	M94-T313 HydrophobicContact CG-CG2 4.18Å; M94-T313 HydrophobicContact SD-CG2 4.08Å; I98-T313 HydrophobicContact CD1-CG2 4.49Å; R101-T313 PolarHBondContact NH1-O 2.86Å; S309-T313 WeakPolarHBondContact O-CB 3.25Å; S309-T313 PolarHBondContact O-N 3.41Å; S309-T313 PolarHBondContact O-OG1 3.12Å; K310-T313 PolarHBondContact O-N 3.28Å; T313-L579 VanDerWaalsContact OG1-CD2 3.27Å; T313-L579 WeakPolarHBondContact OG1-CD2 3.23Å
314	R	88.5	Confident	94	Very high	39 Å²	39	16.5 Å²	16.5	15%	0.147	9%	0.094	C	C	.	.	H	α-helix	trans	-70.5	-50.6	172.9	-174.3	-178.4	-179.7	-169.3	-3.5	111.2	I91 H92 E97 R101 K310 I311 L312 Y598	I91-R314 VanDerWaalsContact CB-NH2 3.29Å; I91-R314 HydrophobicContact CG2-CG 4.46Å; I91-R314 PolarHBondContact O-NH2 3.21Å; H92-R314 PolarHBondContact O-NE 3.31Å; H92-R314 PolarHBondContact O-NH2 3.44Å; E97-R314 HydrophobicContact CG-CG 4.48Å; E97-R314 WeakPolarHBondContact CG-O 3.39Å; R101-R314 PolarHBondContact NH2-O 3.44Å; K310-R314 PolarHBondContact O-N 3.45Å; K310-R314 VanDerWaalsContact O-N 3.15Å; I311-R314 WeakPolarHBondContact O-CB 2.91Å; I311-R314 PolarHBondContact O-N 3.32Å; L312-R314 PolarHBondContact O-N 3.49Å; R314-Y598 PolarHBondContact NH1-OH 2.97Å
315	L	91.1	Very high	94.1	Very high	1 Å²	1	16.5 Å²	16.5	1%	0.005	9%	0.094	C	C	.	.	H	α-helix	trans	-82	-28	-169	-64.5	176.2	0	0	0	115.3	I91 R101 R174 L178 L181 I311 L312 F596	I91-L315 HydrophobicContact CD1-CD2 4.07Å; R101-L315 PolarHBondContact NH2-O 3.21Å; R174-L315 WeakPolarHBondContact CD-O 3.08Å; R174-L315 HydrophobicContact CG-CD2 4.38Å; L178-L315 HydrophobicContact CD2-CB 3.64Å; L178-L315 HydrophobicContact CD2-CD1 4.46Å; L178-L315 HydrophobicContact CG-CB 4.04Å; L181-L315 HydrophobicContact CD2-CD1 4.27Å; I311-L315 HydrophobicContact CD1-CD1 4.46Å; I311-L315 HydrophobicContact CD1-CG 4.49Å; I311-L315 HydrophobicContact CG1-CD1 4.02Å; I311-L315 HydrophobicContact CG1-CG 4.48Å; I311-L315 WeakPolarHBondContact O-CG 3.24Å; I311-L315 PolarHBondContact O-N 2.87Å; L312-L315 PolarHBondContact O-N 3.02Å; L312-L315 VanDerWaalsContact O-N 3.14Å; L315-F596 HydrophobicContact CD1-CE2 4.12Å; L315-F596 HydrophobicContact CD1-CZ 4.21Å
316	H	94.6	Very high	94.2	Very high	1 Å²	1	16.5 Å²	16.5	1%	0.005	9%	0.094	C	C	.	.			trans	-133.4	136.5	-170.6	-155.3	-95.3	0	0	0	112.9	R101 L178 L312 A318 W322 Q499 D507	R101-H316 VanDerWaalsContact CZ-C 3.42Å; R101-H316 PolarHBondContact NH1-O 3.14Å; R101-H316 VanDerWaalsContact NH2-C 3.28Å; R101-H316 VanDerWaalsContact NH2-N 3.13Å; L178-H316 HydrophobicContact CD2-CB 4.19Å; L312-H316 PolarHBondContact O-N 2.9Å; H316-A318 VanDerWaalsContact C-N 3.29Å; H316-A318 PolarHBondContact ND1-N 3.25Å; H316-A318 PolarHBondContact ND1-O 2.91Å; H316-A318 PolarHBondContact O-N 2.85Å; H316-W322 HydrophobicContact CB-CB 4.48Å; H316-W322 AromaticContact CD2-CD1 3.7Å; H316-W322 AromaticContact NE2-CD1 3.96Å; H316-Q499 PolarHBondContact CE1-OE1 2.03Å; H316-Q499 PolarHBondContact NE2-OE1 3.45Å; H316-D507 IonicContact CD2-OD1 2.82Å; H316-D507 IonicContact CE1-OD1 3.57Å; H316-D507 IonicContact CG-OD1 3.15Å; H316-D507 IonicContact NE2-OD1 3.16Å
317	G	93.6	Very high	94.4	Very high	23 Å²	23	14.4 Å²	14.4	24%	0.237	8%	0.08	C	C	.	.	S	Bend	trans	-76.1	-13.8	-179	0	0	0	0	0	115.1	R101 D507 S509	R101-G317 VanDerWaalsContact NE-CA 3.29Å; G317-D507 PolarHBondContact N-OD1 3.17Å; G317-D507 VanDerWaalsContact N-OD1 3.15Å; G317-D507 PolarHBondContact N-OD2 3.2Å; G317-D507 VanDerWaalsContact N-OD2 3.07Å; G317-S509 VanDerWaalsContact CA-OG 3.24Å; G317-S509 WeakPolarHBondContact CA-OG 3.39Å; G317-S509 PolarHBondContact N-OG 3.1Å
318	A	95.4	Very high	94.7	Very high	19 Å²	19	14.1 Å²	14.1	16%	0.157	8%	0.078	C	C	.	.	S	Bend	trans	-135	79.7	174.9	0	0	0	0	0	110.3	H316 F320 V321 W322	H316-A318 VanDerWaalsContact C-N 3.29Å; H316-A318 PolarHBondContact ND1-N 3.25Å; H316-A318 PolarHBondContact ND1-O 2.91Å; H316-A318 PolarHBondContact O-N 2.85Å; A318-F320 VanDerWaalsContact C-N 3.35Å; A318-F320 PolarHBondContact O-N 3.08Å; A318-V321 HydrophobicContact CB-CB 3.92Å; A318-V321 HydrophobicContact CB-CG2 3.69Å; A318-V321 PolarHBondContact O-N 2.79Å; A318-W322 PolarHBondContact O-N 2.82Å
319	P	96.4	Very high	94.9	Very high	20 Å²	20	16.9 Å²	16.9	13%	0.13	9%	0.09	C	C	.	.	H	α-helix	trans	-58.2	-39.5	-171.7	-30.6	38.3	0	0	0	114.8	V304 L312 W322 F323 L579	V304-P319 HydrophobicContact CG2-CB 4.14Å; L312-P319 HydrophobicContact CB-CB 3.97Å; L312-P319 HydrophobicContact CB-CG 4.47Å; P319-W322 PolarHBondContact O-N 2.79Å; P319-F323 PolarHBondContact O-N 2.74Å; P319-L579 HydrophobicContact CB-CD1 3.74Å; P319-L579 HydrophobicContact CG-CD1 4.09Å
320	F	97.6	Very high	95.3	Very high	13 Å²	13	16.2 Å²	16.2	6%	0.057	9%	0.085	C	C	.	.	H	α-helix	trans	-67.2	-44	177.3	171.3	-104.6	0	0	0	112.5	P301 P302 V304 A318 W322 F323 I324 Y519 F521	P301-F320 HydrophobicContact CB-CE2 3.94Å; P301-F320 HydrophobicContact CB-CZ 3.62Å; P301-F320 HydrophobicContact CG-CE2 4.38Å; P301-F320 HydrophobicContact CG-CZ 4.24Å; P302-F320 HydrophobicContact CB-CB 4.06Å; P302-F320 HydrophobicContact CB-CD1 3.37Å; P302-F320 HydrophobicContact CB-CD2 3.91Å; P302-F320 HydrophobicContact CB-CE1 3.76Å; P302-F320 HydrophobicContact CB-CE2 4.26Å; P302-F320 HydrophobicContact CB-CG 3.45Å; P302-F320 VanDerWaalsContact CB-CG 3.45Å; P302-F320 HydrophobicContact CB-CZ 4.2Å; P302-F320 WeakPolarHBondContact O-CB 2.91Å; P302-F320 WeakPolarHBondContact O-CD2 3.48Å; P302-F320 WeakPolarHBondContact O-CG 3.41Å; V304-F320 VanDerWaalsContact CG2-CA 3.49Å; V304-F320 HydrophobicContact CG2-CB 3.86Å; A318-F320 VanDerWaalsContact C-N 3.35Å; A318-F320 PolarHBondContact O-N 3.08Å; F320-W322 PolarHBondContact O-N 3.49Å; F320-F323 PolarHBondContact O-N 3.46Å; F320-I324 HydrophobicContact CE1-CB 4.29Å; F320-I324 HydrophobicContact CE1-CG2 4.05Å; F320-I324 HydrophobicContact CE2-CB 3.97Å; F320-I324 HydrophobicContact CE2-CG1 4.3Å; F320-I324 HydrophobicContact CZ-CB 3.78Å; F320-I324 HydrophobicContact CZ-CD1 4.44Å; F320-I324 HydrophobicContact CZ-CG1 3.85Å; F320-I324 HydrophobicContact CZ-CG2 4.05Å; F320-I324 WeakPolarHBondContact O-CG2 3.39Å; F320-I324 PolarHBondContact O-N 3.43Å; F320-Y519 AromaticContact CD1-CE1 3.96Å; F320-Y519 HydrophobicContact CD1-CE1 3.96Å; F320-Y519 HydrophobicContact CE1-CE1 4.03Å; F320-Y519 WeakPolarHBondContact CE1-OH 2.92Å; F320-F521 HydrophobicContact CE1-CB 3.91Å; F320-F521 HydrophobicContact CE1-CD2 4.08Å; F320-F521 HydrophobicContact CE1-CG 4.32Å; F320-F521 HydrophobicContact CZ-CB 4.13Å; F320-F521 AromaticContact CZ-CD2 3.86Å; F320-F521 HydrophobicContact CZ-CD2 3.86Å; F320-F521 HydrophobicContact CZ-CG 4.13Å
321	V	98.2	Very high	95.8	Very high	7 Å²	7	10.9 Å²	10.9	4%	0.042	6%	0.062	C	C	.	.	H	α-helix	trans	-61.6	-38.5	178.7	-168.8	0	0	0	0	110.4	A318 I324 G325 Y495 E496 Q499 Y519	A318-V321 HydrophobicContact CB-CB 3.92Å; A318-V321 HydrophobicContact CB-CG2 3.69Å; A318-V321 PolarHBondContact O-N 2.79Å; V321-I324 WeakPolarHBondContact O-CG2 3.34Å; V321-G325 WeakPolarHBondContact O-CA 3.37Å; V321-G325 PolarHBondContact O-N 3.27Å; V321-Y495 HydrophobicContact CB-CE1 4.24Å; V321-Y495 HydrophobicContact CG1-CD1 3.71Å; V321-Y495 HydrophobicContact CG1-CE1 3.44Å; V321-Y495 VanDerWaalsContact CG1-CE1 3.44Å; V321-Y495 HydrophobicContact CG2-CE1 3.93Å; V321-E496 HydrophobicContact CG1-CG 4.01Å; V321-Q499 HydrophobicContact CB-CG 4.06Å; V321-Q499 HydrophobicContact CG1-CG 3.42Å; V321-Q499 VanDerWaalsContact CG1-CG 3.42Å; V321-Y519 HydrophobicContact CG1-CE2 4.38Å; V321-Y519 HydrophobicContact CG2-CD1 3.73Å; V321-Y519 HydrophobicContact CG2-CD2 4.48Å; V321-Y519 HydrophobicContact CG2-CE1 3.52Å; V321-Y519 HydrophobicContact CG2-CE2 4.28Å; V321-Y519 HydrophobicContact CG2-CG 4.21Å
322	W	98.4	Very high	96.3	Very high	0 Å²	0	10.5 Å²	10.5	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-60.1	-51.2	171	-177.7	89.7	0	0	0	111.5	L181 L185 L308 L312 H316 A318 P319 F320 G325 Q326 Q499 H502	L181-W322 HydrophobicContact CB-CH2 4.43Å; L181-W322 HydrophobicContact CB-CZ2 4.34Å; L181-W322 HydrophobicContact CD2-CH2 4.09Å; L181-W322 HydrophobicContact CD2-CZ2 4.33Å; L181-W322 HydrophobicContact CG-CH2 3.87Å; L181-W322 HydrophobicContact CG-CZ2 4.22Å; L185-W322 HydrophobicContact CB-CH2 4.49Å; L185-W322 HydrophobicContact CD2-CH2 3.95Å; L185-W322 HydrophobicContact CD2-CZ3 3.76Å; L308-W322 HydrophobicContact CD1-CZ3 4.3Å; L312-W322 HydrophobicContact CD1-CD2 4.45Å; L312-W322 HydrophobicContact CD1-CE3 3.52Å; L312-W322 HydrophobicContact CD1-CZ3 3.72Å; L312-W322 HydrophobicContact CD2-CD2 3.48Å; L312-W322 VanDerWaalsContact CD2-CD2 3.48Å; L312-W322 HydrophobicContact CD2-CE3 3.32Å; L312-W322 HydrophobicContact CD2-CG 4.12Å; L312-W322 HydrophobicContact CD2-CH2 4.04Å; L312-W322 HydrophobicContact CD2-CZ2 4.17Å; L312-W322 HydrophobicContact CD2-CZ3 3.64Å; L312-W322 HydrophobicContact CG-CE3 4.07Å; L312-W322 HydrophobicContact CG-CZ3 4.24Å; H316-W322 HydrophobicContact CB-CB 4.48Å; H316-W322 AromaticContact CD2-CD1 3.7Å; H316-W322 AromaticContact NE2-CD1 3.96Å; A318-W322 PolarHBondContact O-N 2.82Å; P319-W322 PolarHBondContact O-N 2.79Å; F320-W322 PolarHBondContact O-N 3.49Å; W322-G325 CarbonylContact O-C 3.51Å; W322-G325 PolarHBondContact O-N 3.39Å; W322-Q326 HydrophobicContact CD2-CG 4.01Å; W322-Q326 HydrophobicContact CE3-CG 4Å; W322-Q326 HydrophobicContact CH2-CG 3.75Å; W322-Q326 HydrophobicContact CZ2-CG 3.75Å; W322-Q326 HydrophobicContact CZ3-CG 3.86Å; W322-Q326 WeakPolarHBondContact O-CG 3.33Å; W322-Q326 PolarHBondContact O-N 3.25Å; W322-Q499 HydrophobicContact CB-CB 4.47Å; W322-H502 AromaticContact CD1-NE2 3.63Å; W322-H502 AromaticContact CE2-NE2 3.93Å; W322-H502 AromaticContact NE1-CD2 3.68Å; W322-H502 AromaticContact NE1-CE1 3.88Å; W322-H502 AromaticContact NE1-NE2 2.9Å; W322-H502 PolarHBondContact NE1-NE2 2.9Å
323	F	98.5	Very high	96.6	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-61.7	-50.6	-176.9	173.8	-114	0	0	0	112.4	L185 Q226 Y229 P305 P319 F320 G325 Q326 L327 M584	L185-F323 HydrophobicContact CD2-CD2 3.91Å; L185-F323 HydrophobicContact CD2-CE2 4.14Å; Q226-F323 HydrophobicContact CG-CE1 4.13Å; Y229-F323 HydrophobicContact CD1-CE2 4.39Å; Y229-F323 AromaticContact CD1-CZ 3.96Å; Y229-F323 HydrophobicContact CD1-CZ 3.96Å; Y229-F323 HydrophobicContact CE1-CE2 4.28Å; Y229-F323 HydrophobicContact CE1-CZ 4.25Å; P305-F323 HydrophobicContact CG-CD2 3.83Å; P305-F323 HydrophobicContact CG-CE1 4.13Å; P305-F323 HydrophobicContact CG-CE2 3.37Å; P305-F323 HydrophobicContact CG-CG 4.39Å; P305-F323 HydrophobicContact CG-CZ 3.54Å; P319-F323 PolarHBondContact O-N 2.74Å; F320-F323 PolarHBondContact O-N 3.46Å; F323-G325 VanDerWaalsContact C-N 3.27Å; F323-G325 PolarHBondContact O-N 3.02Å; F323-Q326 WeakPolarHBondContact O-CB 3.42Å; F323-Q326 PolarHBondContact O-N 2.89Å; F323-Q326 VanDerWaalsContact O-N 3.08Å; F323-L327 HydrophobicContact CE1-CD1 4.07Å; F323-L327 HydrophobicContact CE2-CD2 4.3Å; F323-L327 HydrophobicContact CZ-CD1 4.05Å; F323-L327 HydrophobicContact CZ-CD2 4.3Å; F323-L327 HydrophobicContact CZ-CG 4.33Å; F323-L327 PolarHBondContact O-N 3.44Å; F323-L327 VanDerWaalsContact O-N 3.15Å; F323-M584 HydrophobicContact CE1-CE 4.38Å; F323-M584 HydrophobicContact CE1-SD 4.23Å; F323-M584 HydrophobicContact CZ-SD 4.1Å
324	I	98.7	Very high	96.9	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-65.1	-35.1	178.4	-156.6	49.8	0	0	0	110.6	M222 F320 V321 Q326 L327 G328 E496 F521	M222-I324 HydrophobicContact CB-CD1 3.82Å; M222-I324 HydrophobicContact CB-CG1 4.39Å; M222-I324 HydrophobicContact CE-CB 4.36Å; M222-I324 HydrophobicContact CE-CD1 4.24Å; M222-I324 HydrophobicContact CE-CG1 3.7Å; M222-I324 HydrophobicContact CE-CG2 4.45Å; M222-I324 WeakPolarHBondContact CE-O 3.1Å; F320-I324 HydrophobicContact CE1-CB 4.29Å; F320-I324 HydrophobicContact CE1-CG2 4.05Å; F320-I324 HydrophobicContact CE2-CB 3.97Å; F320-I324 HydrophobicContact CE2-CG1 4.3Å; F320-I324 HydrophobicContact CZ-CB 3.78Å; F320-I324 HydrophobicContact CZ-CD1 4.44Å; F320-I324 HydrophobicContact CZ-CG1 3.85Å; F320-I324 HydrophobicContact CZ-CG2 4.05Å; F320-I324 WeakPolarHBondContact O-CG2 3.39Å; F320-I324 PolarHBondContact O-N 3.43Å; V321-I324 WeakPolarHBondContact O-CG2 3.34Å; I324-Q326 VanDerWaalsContact C-N 3.33Å; I324-Q326 PolarHBondContact O-N 2.63Å; I324-L327 HydrophobicContact CD1-CB 4.49Å; I324-L327 HydrophobicContact CD1-CD1 3.92Å; I324-L327 WeakPolarHBondContact O-CB 3.32Å; I324-L327 PolarHBondContact O-N 3.49Å; I324-L327 VanDerWaalsContact O-N 3.16Å; I324-G328 PolarHBondContact O-N 3.15Å; I324-E496 HydrophobicContact CG2-CB 4.3Å; I324-E496 HydrophobicContact CG2-CG 3.77Å; I324-F521 HydrophobicContact CD1-CE2 4Å; I324-F521 HydrophobicContact CD1-CZ 4.49Å; I324-F521 HydrophobicContact CG1-CD2 4Å; I324-F521 HydrophobicContact CG1-CE2 3.56Å; I324-F521 HydrophobicContact CG1-CZ 4.49Å
325	G	98.7	Very high	97.3	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-59.4	-37.7	170.5	0	0	0	0	0	113.5	V321 W322 F323 G328 K329 E496	V321-G325 WeakPolarHBondContact O-CA 3.37Å; V321-G325 PolarHBondContact O-N 3.27Å; W322-G325 CarbonylContact O-C 3.51Å; W322-G325 PolarHBondContact O-N 3.39Å; F323-G325 VanDerWaalsContact C-N 3.27Å; F323-G325 PolarHBondContact O-N 3.02Å; G325-G328 PolarHBondContact O-N 3.39Å; G325-K329 WeakPolarHBondContact O-CB 3.17Å; G325-K329 PolarHBondContact O-N 3.4Å; G325-E496 VanDerWaalsContact CA-O 3.25Å; G325-E496 WeakPolarHBondContact CA-O 3.44Å
326	Q	98.8	Very high	97.5	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-67.3	-37.5	173.4	-66.4	-57.5	-33.6	0	0	112.5	S182 L185 Q186 W322 F323 I324 K329 F330 H502	S182-Q326 PolarHBondContact OG-OE1 2.84Å; L185-Q326 HydrophobicContact CD2-CB 3.66Å; L185-Q326 HydrophobicContact CD2-CG 3.95Å; Q186-Q326 PolarHBondContact NE2-O 3.2Å; W322-Q326 HydrophobicContact CD2-CG 4.01Å; W322-Q326 HydrophobicContact CE3-CG 4Å; W322-Q326 HydrophobicContact CH2-CG 3.75Å; W322-Q326 HydrophobicContact CZ2-CG 3.75Å; W322-Q326 HydrophobicContact CZ3-CG 3.86Å; W322-Q326 WeakPolarHBondContact O-CG 3.33Å; W322-Q326 PolarHBondContact O-N 3.25Å; F323-Q326 WeakPolarHBondContact O-CB 3.42Å; F323-Q326 PolarHBondContact O-N 2.89Å; F323-Q326 VanDerWaalsContact O-N 3.08Å; I324-Q326 VanDerWaalsContact C-N 3.33Å; I324-Q326 PolarHBondContact O-N 2.63Å; Q326-K329 PolarHBondContact O-N 2.75Å; Q326-F330 PolarHBondContact O-N 2.9Å; Q326-F330 VanDerWaalsContact O-N 3.1Å; Q326-H502 PolarHBondContact NE2-CE1 3.2Å; Q326-H502 VanDerWaalsContact NE2-CE1 3.27Å; Q326-H502 PolarHBondContact NE2-NE2 2.79Å
327	L	98.8	Very high	97.4	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-63	-45.6	171.4	-58.4	-170.4	0	0	0	110.3	L189 F225 Q226 F323 I324 K329 F330 L331	L189-L327 HydrophobicContact CD1-CD2 3.84Å; L189-L327 HydrophobicContact CD2-CD2 3.68Å; L189-L327 HydrophobicContact CG-CD2 4.42Å; F225-L327 HydrophobicContact CB-CD1 4.41Å; F225-L327 HydrophobicContact CD1-CB 3.89Å; F225-L327 HydrophobicContact CD1-CD2 3.84Å; F225-L327 HydrophobicContact CD1-CG 4.31Å; F225-L327 HydrophobicContact CE1-CD2 4.06Å; F225-L327 HydrophobicContact CG-CD2 4.39Å; Q226-L327 HydrophobicContact CB-CD1 3.77Å; F323-L327 HydrophobicContact CE1-CD1 4.07Å; F323-L327 HydrophobicContact CE2-CD2 4.3Å; F323-L327 HydrophobicContact CZ-CD1 4.05Å; F323-L327 HydrophobicContact CZ-CD2 4.3Å; F323-L327 HydrophobicContact CZ-CG 4.33Å; F323-L327 PolarHBondContact O-N 3.44Å; F323-L327 VanDerWaalsContact O-N 3.15Å; I324-L327 HydrophobicContact CD1-CB 4.49Å; I324-L327 HydrophobicContact CD1-CD1 3.92Å; I324-L327 WeakPolarHBondContact O-CB 3.32Å; I324-L327 PolarHBondContact O-N 3.49Å; I324-L327 VanDerWaalsContact O-N 3.16Å; L327-K329 PolarHBondContact O-N 3Å; L327-F330 PolarHBondContact O-N 3.5Å; L327-L331 VanDerWaalsContact O-CG 3.22Å; L327-L331 WeakPolarHBondContact O-CG 3.45Å; L327-L331 PolarHBondContact O-N 3.32Å
328	G	98.8	Very high	97.4	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-57.4	-46.8	173.9	0	0	0	0	0	113	I324 G325 F330 L331 M332	I324-G328 PolarHBondContact O-N 3.15Å; G325-G328 PolarHBondContact O-N 3.39Å; G328-F330 VanDerWaalsContact C-N 3.26Å; G328-F330 PolarHBondContact O-N 3.14Å; G328-L331 PolarHBondContact O-N 2.85Å; G328-L331 VanDerWaalsContact O-N 3.16Å; G328-M332 WeakPolarHBondContact O-CB 3.09Å; G328-M332 PolarHBondContact O-N 2.66Å
329	K	98.6	Very high	97.3	Very high	63 Å²	63	27.1 Å²	27.1	27%	0.274	15%	0.146	S	C	.	.	H	α-helix	trans	-56.5	-38.5	175.8	174.9	174.3	172.7	-179.1	0	112.2	S182 G325 Q326 L327 R333	S182-K329 PolarHBondContact OG-NZ 2.85Å; G325-K329 WeakPolarHBondContact O-CB 3.17Å; G325-K329 PolarHBondContact O-N 3.4Å; Q326-K329 PolarHBondContact O-N 2.75Å; L327-K329 PolarHBondContact O-N 3Å; K329-R333 WeakPolarHBondContact O-CG 3.27Å
330	F	98.8	Very high	96.9	Very high	1 Å²	1	31.9 Å²	31.9	0%	0.004	17%	0.166	C	C	.	.	H	α-helix	trans	-71.6	-44.7	176.3	-171.7	-76	0	0	0	111.9	L189 F190 Q193 F225 Q326 L327 G328 R333	L189-F330 HydrophobicContact CB-CD2 3.5Å; L189-F330 VanDerWaalsContact CB-CD2 3.5Å; L189-F330 HydrophobicContact CB-CE2 3.67Å; L189-F330 HydrophobicContact CB-CG 4.21Å; L189-F330 HydrophobicContact CB-CZ 4.45Å; L189-F330 HydrophobicContact CD1-CB 4.04Å; L189-F330 HydrophobicContact CD1-CD2 4.05Å; L189-F330 HydrophobicContact CD1-CG 4.23Å; L189-F330 HydrophobicContact CG-CD2 4.44Å; F190-F330 HydrophobicContact CB-CE2 4.16Å; Q193-F330 HydrophobicContact CB-CE1 4.49Å; Q193-F330 HydrophobicContact CB-CZ 4.1Å; Q193-F330 HydrophobicContact CG-CE1 3.76Å; Q193-F330 HydrophobicContact CG-CZ 3.73Å; F225-F330 HydrophobicContact CE1-CB 3.9Å; F225-F330 AromaticContact CE1-CD1 3.52Å; F225-F330 HydrophobicContact CE1-CD1 3.52Å; F225-F330 HydrophobicContact CE1-CE1 4.26Å; F225-F330 AromaticContact CE1-CG 3.77Å; F225-F330 HydrophobicContact CE1-CG 3.77Å; F225-F330 AromaticContact CZ-CD1 3.68Å; F225-F330 HydrophobicContact CZ-CD1 3.68Å; F225-F330 AromaticContact CZ-CE1 3.95Å; F225-F330 HydrophobicContact CZ-CE1 3.95Å; F225-F330 HydrophobicContact CZ-CG 4.08Å; Q326-F330 PolarHBondContact O-N 2.9Å; Q326-F330 VanDerWaalsContact O-N 3.1Å; L327-F330 PolarHBondContact O-N 3.5Å; G328-F330 VanDerWaalsContact C-N 3.26Å; G328-F330 PolarHBondContact O-N 3.14Å; F330-R333 VanDerWaalsContact CZ-NH2 3.33Å; F330-R333 PolarHBondContact O-NE 3.32Å; F330-R333 PolarHBondContact O-NH1 2.76Å; F330-R333 PolarHBondContact O-NH2 2.99Å
331	L	98.7	Very high	96.5	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-71.8	-32.5	-175.5	-66.8	169.4	0	0	0	113.3	L221 M222 F225 L235 W249 L256 L327 G328	L221-L331 HydrophobicContact CB-CD1 4.35Å; L221-L331 HydrophobicContact CD2-CB 4.44Å; L221-L331 HydrophobicContact CD2-CD1 4.3Å; L221-L331 HydrophobicContact CD2-CD2 4Å; L221-L331 HydrophobicContact CD2-CG 4.47Å; L221-L331 HydrophobicContact CG-CD1 3.91Å; L221-L331 HydrophobicContact CG-CD2 3.96Å; L221-L331 HydrophobicContact CG-CG 4.45Å; M222-L331 HydrophobicContact CB-CD1 4.31Å; M222-L331 HydrophobicContact CG-CD1 3.72Å; F225-L331 HydrophobicContact CB-CD1 4.12Å; F225-L331 HydrophobicContact CB-CD2 4.38Å; F225-L331 HydrophobicContact CD1-CD1 3.97Å; F225-L331 HydrophobicContact CD1-CD2 3.73Å; F225-L331 HydrophobicContact CD1-CG 3.7Å; F225-L331 HydrophobicContact CE1-CD2 4.21Å; F225-L331 HydrophobicContact CE1-CG 4.26Å; F225-L331 HydrophobicContact CG-CD1 4.47Å; F225-L331 HydrophobicContact CG-CD2 4.15Å; F225-L331 HydrophobicContact CG-CG 4.46Å; L235-L331 HydrophobicContact CD2-CD2 3.93Å; W249-L331 HydrophobicContact CZ2-CB 4.06Å; W249-L331 PolarHBondContact NE1-O 2.79Å; L256-L331 HydrophobicContact CD1-CD2 4.15Å; L256-L331 HydrophobicContact CD2-CD2 3.57Å; L327-L331 VanDerWaalsContact O-CG 3.22Å; L327-L331 WeakPolarHBondContact O-CG 3.45Å; L327-L331 PolarHBondContact O-N 3.32Å; G328-L331 PolarHBondContact O-N 2.85Å; G328-L331 VanDerWaalsContact O-N 3.16Å
332	M	98.2	Very high	96.3	Very high	4 Å²	4	36.6 Å²	36.6	2%	0.02	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.3	46.7	-173.7	-61.7	-179	63.5	0	0	111.7	F214 W249 F253 G328 P334 V473 F474 L493 L497	F214-M332 HydrophobicContact CE1-CE 4.02Å; F214-M332 HydrophobicContact CZ-CE 3.92Å; W249-M332 HydrophobicContact CH2-CG 3.76Å; W249-M332 HydrophobicContact CH2-SD 4.17Å; W249-M332 HydrophobicContact CZ2-CG 3.49Å; W249-M332 VanDerWaalsContact CZ2-CG 3.49Å; W249-M332 HydrophobicContact CZ2-SD 4.49Å; F253-M332 HydrophobicContact CD1-CB 4.4Å; F253-M332 HydrophobicContact CE1-CB 3.96Å; F253-M332 HydrophobicContact CE2-CG 4.3Å; F253-M332 HydrophobicContact CZ-CB 4.01Å; F253-M332 HydrophobicContact CZ-CE 3.95Å; F253-M332 HydrophobicContact CZ-CG 4.16Å; G328-M332 WeakPolarHBondContact O-CB 3.09Å; G328-M332 PolarHBondContact O-N 2.66Å; M332-P334 VanDerWaalsContact O-CD 3.22Å; M332-P334 WeakPolarHBondContact O-CD 3.26Å; M332-V473 HydrophobicContact CE-CG1 4.44Å; M332-F474 HydrophobicContact CB-CE1 4.46Å; M332-F474 HydrophobicContact CB-CZ 4.04Å; M332-F474 HydrophobicContact CE-CE2 4.44Å; M332-F474 HydrophobicContact CE-CZ 4.19Å; M332-F474 VanDerWaalsContact O-CZ 3.26Å; M332-F474 WeakPolarHBondContact O-CZ 3.2Å; M332-L493 HydrophobicContact CE-CD2 4.27Å; M332-L493 HydrophobicContact SD-CD1 4.05Å; M332-L493 HydrophobicContact SD-CD2 4.13Å; M332-L493 HydrophobicContact SD-CG 4.42Å; M332-L497 HydrophobicContact CE-CD1 4.2Å; M332-L497 HydrophobicContact SD-CD1 4.04Å
333	R	97.9	Very high	96.1	Very high	63 Å²	63	41.4 Å²	41.4	24%	0.238	21%	0.208	C	C	.	.			trans	-81.4	106.1	172.2	-70.9	-178.1	-66	-110.1	-6.1	109.6	F253 V254 K329 F330	F253-R333 CarbonylContact C-O 3.59Å; F253-R333 VanDerWaalsContact CA-O 3.26Å; F253-R333 WeakPolarHBondContact CA-O 3.13Å; F253-R333 WeakPolarHBondContact CD1-O 3.49Å; V254-R333 HydrophobicContact CB-CB 3.98Å; V254-R333 HydrophobicContact CG2-CB 3.92Å; V254-R333 PolarHBondContact N-O 2.94Å; K329-R333 WeakPolarHBondContact O-CG 3.27Å; F330-R333 VanDerWaalsContact CZ-NH2 3.33Å; F330-R333 PolarHBondContact O-NE 3.32Å; F330-R333 PolarHBondContact O-NH1 2.76Å; F330-R333 PolarHBondContact O-NH2 2.99Å
334	P	97.3	Very high	95.9	Very high	53 Å²	53	42.9 Å²	42.9	34%	0.344	22%	0.216	S	C	.	.	B	Isolated β-bridge	trans	-66.5	141.9	-173.3	29.4	-35.9	0	0	0	111.9	F253 M332 F336	F253-P334 HydrophobicContact CD1-CB 4.47Å; F253-P334 HydrophobicContact CE1-CB 4.43Å; M332-P334 VanDerWaalsContact O-CD 3.22Å; M332-P334 WeakPolarHBondContact O-CD 3.26Å; P334-F336 HydrophobicContact CB-CD1 3.94Å; P334-F336 HydrophobicContact CB-CD2 3.96Å; P334-F336 HydrophobicContact CB-CE1 3.68Å; P334-F336 HydrophobicContact CB-CE2 3.75Å; P334-F336 HydrophobicContact CB-CG 4.07Å; P334-F336 HydrophobicContact CB-CZ 3.6Å
335	T	97.1	Very high	95.7	Very high	85 Å²	85	43.8 Å²	43.8	52%	0.521	22%	0.22	S	C	.	.	S	Bend	trans	-89	-11.1	165	57.3	0	0	0	0	112.1	N252 V254	N252-T335 VanDerWaalsContact C-OG1 3.28Å; N252-T335 PolarHBondContact O-N 3.21Å; N252-T335 PolarHBondContact O-OG1 3.45Å; V254-T335 HydrophobicContact CG2-CG2 4.12Å
336	F	94.6	Very high	95.2	Very high	41 Å²	41	48.4 Å²	48.4	18%	0.18	25%	0.245	C	C	.	.	S	Bend	trans	-97.2	160.6	176.9	54	-92.3	0	0	0	111.8	N252 F253 P334 L338 M467 V470 F474	N252-F336 HydrophobicContact CB-CD1 4.13Å; N252-F336 HydrophobicContact CB-CE1 3.97Å; N252-F336 VanDerWaalsContact O-CD1 3.3Å; N252-F336 WeakPolarHBondContact O-CD1 3.48Å; N252-F336 VanDerWaalsContact O-CE1 3.27Å; N252-F336 WeakPolarHBondContact O-CE1 2.88Å; F253-F336 HydrophobicContact CD1-CE1 4.47Å; F253-F336 HydrophobicContact CE1-CE1 4.12Å; F253-F336 HydrophobicContact CE1-CZ 4.2Å; P334-F336 HydrophobicContact CB-CD1 3.94Å; P334-F336 HydrophobicContact CB-CD2 3.96Å; P334-F336 HydrophobicContact CB-CE1 3.68Å; P334-F336 HydrophobicContact CB-CE2 3.75Å; P334-F336 HydrophobicContact CB-CG 4.07Å; P334-F336 HydrophobicContact CB-CZ 3.6Å; F336-L338 HydrophobicContact CD2-CD1 4.41Å; F336-L338 HydrophobicContact CD2-CD2 3.95Å; F336-L338 HydrophobicContact CD2-CG 3.87Å; F336-L338 HydrophobicContact CE2-CD1 3.78Å; F336-L338 HydrophobicContact CE2-CD2 3.76Å; F336-L338 HydrophobicContact CE2-CG 3.71Å; F336-M467 HydrophobicContact CB-CE 4.34Å; F336-M467 HydrophobicContact CD1-CE 4.13Å; F336-M467 HydrophobicContact CD1-SD 4.43Å; F336-M467 HydrophobicContact CD2-CE 3.3Å; F336-M467 HydrophobicContact CD2-SD 4.45Å; F336-M467 HydrophobicContact CE1-CE 4.24Å; F336-M467 HydrophobicContact CE1-SD 4.22Å; F336-M467 HydrophobicContact CE2-CE 3.39Å; F336-M467 HydrophobicContact CE2-SD 4.18Å; F336-M467 HydrophobicContact CG-CE 3.67Å; F336-M467 HydrophobicContact CZ-CE 3.89Å; F336-M467 HydrophobicContact CZ-SD 4.07Å; F336-V470 HydrophobicContact CZ-CG1 3.91Å; F336-F474 HydrophobicContact CZ-CE2 4.19Å
337	N	92.7	Very high	94.6	Very high	120 Å²	120	54 Å²	54	64%	0.642	28%	0.275	S	S	*	.			trans	-95.6	131.2	-178	-167.7	-7	0	0	0	110.8	T339	N337-T339 WeakPolarHBondContact OD1-CB 3.04Å; N337-T339 PolarHBondContact OD1-N 3.14Å; N337-T339 PolarHBondContact OD1-OG1 2.94Å
338	L	93.4	Very high	94.1	Very high	11 Å²	11	55.2 Å²	55.2	6%	0.058	28%	0.28	C	S	.	.			trans	-114.2	12.5	175.9	-67.1	174.8	0	0	0	112.8	F336 E340 E341 F342 T471 F474	F336-L338 HydrophobicContact CD2-CD1 4.41Å; F336-L338 HydrophobicContact CD2-CD2 3.95Å; F336-L338 HydrophobicContact CD2-CG 3.87Å; F336-L338 HydrophobicContact CE2-CD1 3.78Å; F336-L338 HydrophobicContact CE2-CD2 3.76Å; F336-L338 HydrophobicContact CE2-CG 3.71Å; L338-E340 VanDerWaalsContact C-N 3.3Å; L338-E340 PolarHBondContact O-N 3.25Å; L338-E341 WeakPolarHBondContact CA-OE2 3.2Å; L338-E341 PolarHBondContact O-N 3.25Å; L338-F342 HydrophobicContact CB-CD1 4.43Å; L338-F342 HydrophobicContact CB-CD2 3.85Å; L338-F342 HydrophobicContact CB-CE1 4.09Å; L338-F342 HydrophobicContact CB-CE2 3.44Å; L338-F342 VanDerWaalsContact CB-CE2 3.44Å; L338-F342 HydrophobicContact CB-CG 4.31Å; L338-F342 HydrophobicContact CB-CZ 3.56Å; L338-F342 HydrophobicContact CD1-CE1 4.22Å; L338-F342 HydrophobicContact CD1-CE2 3.8Å; L338-F342 HydrophobicContact CD1-CZ 3.36Å; L338-F342 HydrophobicContact CG-CE2 4.28Å; L338-F342 HydrophobicContact CG-CZ 4.05Å; L338-F342 VanDerWaalsContact O-CB 3.31Å; L338-F342 WeakPolarHBondContact O-CB 3.27Å; L338-F342 WeakPolarHBondContact O-CD2 3.22Å; L338-F342 WeakPolarHBondContact O-CG 3.31Å; L338-F342 PolarHBondContact O-N 2.87Å; L338-T471 HydrophobicContact CD2-CG2 4.07Å; L338-F474 HydrophobicContact CD1-CB 4.07Å; L338-F474 HydrophobicContact CD1-CD2 3.6Å; L338-F474 HydrophobicContact CD1-CE2 4.21Å; L338-F474 HydrophobicContact CD1-CG 3.98Å
339	T	92.8	Very high	93.3	Very high	89 Å²	89	60.4 Å²	60.4	55%	0.546	32%	0.317	S	S	.	.	H	α-helix	trans	-60.1	-40.1	-174.3	-60.4	0	0	0	0	111.5	N337 F342 K343	N337-T339 WeakPolarHBondContact OD1-CB 3.04Å; N337-T339 PolarHBondContact OD1-N 3.14Å; N337-T339 PolarHBondContact OD1-OG1 2.94Å; T339-F342 PolarHBondContact O-N 3.05Å; T339-K343 PolarHBondContact O-N 2.98Å
340	E	89.4	Confident	92.6	Very high	120 Å²	120	61.2 Å²	61.2	56%	0.561	32%	0.324	S	S	*	.	H	α-helix	trans	-67.7	-48.2	-179.4	-169.2	61.8	-147.8	0	0	111.2	L338 F342 K343	L338-E340 VanDerWaalsContact C-N 3.3Å; L338-E340 PolarHBondContact O-N 3.25Å; E340-F342 PolarHBondContact O-N 2.77Å; E340-K343 WeakPolarHBondContact O-CB 3.42Å; E340-K343 PolarHBondContact O-N 3.13Å; E340-K343 WeakPolarHBondContact OE1-CD 3.41Å; E340-K343 IonicContact OE1-NZ 3Å; E340-K343 PolarHBondContact OE1-NZ 3.14Å; E340-K343 WeakPolarHBondContact OE2-CE 3.34Å; E340-K343 IonicContact OE2-NZ 3.85Å; E340-K343 PolarHBondContact OE2-NZ 2.71Å
341	E	87.5	Confident	92.1	Very high	88 Å²	88	63 Å²	63	41%	0.411	33%	0.333	S	S	.	.	H	α-helix	trans	-58.9	-33.4	176.4	-69	75.3	-169.3	0	0	111.4	L338 T471	L338-E341 WeakPolarHBondContact CA-OE2 3.2Å; L338-E341 PolarHBondContact O-N 3.25Å; E341-T471 HydrophobicContact CB-CG2 4.42Å; E341-T471 HydrophobicContact CG-CG2 4Å
342	F	94.1	Very high	91.9	Very high	30 Å²	30	63.4 Å²	63.4	13%	0.132	34%	0.336	C	S	.	.	H	α-helix	trans	-88.3	-3.9	-177.6	-65.3	-11.7	0	0	0	115.3	L338 T339 E340 I344 F345 F474 A475 R478	L338-F342 HydrophobicContact CB-CD1 4.43Å; L338-F342 HydrophobicContact CB-CD2 3.85Å; L338-F342 HydrophobicContact CB-CE1 4.09Å; L338-F342 HydrophobicContact CB-CE2 3.44Å; L338-F342 VanDerWaalsContact CB-CE2 3.44Å; L338-F342 HydrophobicContact CB-CG 4.31Å; L338-F342 HydrophobicContact CB-CZ 3.56Å; L338-F342 HydrophobicContact CD1-CE1 4.22Å; L338-F342 HydrophobicContact CD1-CE2 3.8Å; L338-F342 HydrophobicContact CD1-CZ 3.36Å; L338-F342 HydrophobicContact CG-CE2 4.28Å; L338-F342 HydrophobicContact CG-CZ 4.05Å; L338-F342 VanDerWaalsContact O-CB 3.31Å; L338-F342 WeakPolarHBondContact O-CB 3.27Å; L338-F342 WeakPolarHBondContact O-CD2 3.22Å; L338-F342 WeakPolarHBondContact O-CG 3.31Å; L338-F342 PolarHBondContact O-N 2.87Å; T339-F342 PolarHBondContact O-N 3.05Å; E340-F342 PolarHBondContact O-N 2.77Å; F342-I344 PolarHBondContact O-N 2.64Å; F342-F345 HydrophobicContact CB-CD2 4.09Å; F342-F345 HydrophobicContact CD1-CD2 4.11Å; F342-F345 AromaticContact CD1-CE2 3.92Å; F342-F345 HydrophobicContact CD1-CE2 3.92Å; F342-F345 HydrophobicContact CG-CD2 4.3Å; F342-F345 WeakPolarHBondContact O-CB 3.32Å; F342-F345 PolarHBondContact O-N 3.23Å; F342-F474 HydrophobicContact CE1-CB 4.21Å; F342-F474 HydrophobicContact CZ-CB 3.66Å; F342-A475 HydrophobicContact CE1-CB 4.35Å; F342-R478 VanDerWaalsContact CE2-NE 3.3Å
343	K	94.6	Very high	91.9	Very high	102 Å²	102	63.2 Å²	63.2	44%	0.443	34%	0.335	S	S	.	.	G	3₁₀ helix	trans	-55.4	-25.7	171.9	-75.3	-176.9	-180	167.5	0	113.2	T339 E340 F345 D346	T339-K343 PolarHBondContact O-N 2.98Å; E340-K343 WeakPolarHBondContact O-CB 3.42Å; E340-K343 PolarHBondContact O-N 3.13Å; E340-K343 WeakPolarHBondContact OE1-CD 3.41Å; E340-K343 IonicContact OE1-NZ 3Å; E340-K343 PolarHBondContact OE1-NZ 3.14Å; E340-K343 WeakPolarHBondContact OE2-CE 3.34Å; E340-K343 IonicContact OE2-NZ 3.85Å; E340-K343 PolarHBondContact OE2-NZ 2.71Å; K343-F345 PolarHBondContact O-N 2.81Å; K343-D346 WeakPolarHBondContact O-CB 3.44Å; K343-D346 PolarHBondContact O-N 3.01Å; K343-D346 VanDerWaalsContact O-N 3.09Å
344	I	94.2	Very high	92	Very high	31 Å²	31	60.2 Å²	60.2	16%	0.159	32%	0.324	C	S	.	.	G	3₁₀ helix	trans	-59.9	-31.5	174.6	69.1	175	0	0	0	111.3	F342 D346 I353 R422 Y424 Y446	F342-I344 PolarHBondContact O-N 2.64Å; I344-D346 PolarHBondContact O-N 2.88Å; I344-I353 HydrophobicContact CB-CD1 4.38Å; I344-I353 HydrophobicContact CG1-CD1 4.28Å; I344-I353 VanDerWaalsContact O-CD1 3.24Å; I344-I353 WeakPolarHBondContact O-CD1 3.46Å; I344-R422 VanDerWaalsContact O-CZ 3.26Å; I344-R422 PolarHBondContact O-NH1 3.29Å; I344-R422 VanDerWaalsContact O-NH1 3.15Å; I344-R422 PolarHBondContact O-NH2 2.9Å; I344-Y424 HydrophobicContact CD1-CD2 3.38Å; I344-Y424 HydrophobicContact CD1-CE2 3.81Å; I344-Y424 HydrophobicContact CD1-CG 4.42Å; I344-Y446 HydrophobicContact CB-CD1 4.26Å; I344-Y446 HydrophobicContact CB-CE1 4.48Å; I344-Y446 HydrophobicContact CB-CG 4.49Å; I344-Y446 HydrophobicContact CD1-CG 4.43Å; I344-Y446 HydrophobicContact CG2-CD1 3.63Å; I344-Y446 HydrophobicContact CG2-CE1 4.02Å; I344-Y446 HydrophobicContact CG2-CG 4.2Å
345	F	94.6	Very high	92	Very high	18 Å²	18	57.7 Å²	57.7	8%	0.079	31%	0.308	C	S	.	.	G	3₁₀ helix	trans	-79.1	-1.4	-179.8	-58.2	-74.2	0	0	0	113.2	F342 K343 N347 Q348 I353 A475 R478 T479	F342-F345 HydrophobicContact CB-CD2 4.09Å; F342-F345 HydrophobicContact CD1-CD2 4.11Å; F342-F345 AromaticContact CD1-CE2 3.92Å; F342-F345 HydrophobicContact CD1-CE2 3.92Å; F342-F345 HydrophobicContact CG-CD2 4.3Å; F342-F345 WeakPolarHBondContact O-CB 3.32Å; F342-F345 PolarHBondContact O-N 3.23Å; K343-F345 PolarHBondContact O-N 2.81Å; F345-N347 PolarHBondContact O-N 3.32Å; F345-Q348 VanDerWaalsContact O-CB 3.27Å; F345-Q348 WeakPolarHBondContact O-CB 3.34Å; F345-Q348 WeakPolarHBondContact O-CG 3.35Å; F345-Q348 PolarHBondContact O-N 3.01Å; F345-Q348 VanDerWaalsContact O-N 3.11Å; F345-I353 HydrophobicContact CD1-CD1 3.73Å; F345-I353 HydrophobicContact CE1-CB 4.42Å; F345-I353 HydrophobicContact CE1-CD1 3.98Å; F345-I353 HydrophobicContact CE1-CG2 4.46Å; F345-I353 HydrophobicContact CG-CD1 4.45Å; F345-A475 HydrophobicContact CE2-CB 4.26Å; F345-A475 HydrophobicContact CZ-CB 4.22Å; F345-A475 WeakPolarHBondContact CZ-O 3.22Å; F345-R478 HydrophobicContact CD1-CB 4.12Å; F345-R478 HydrophobicContact CD2-CB 4.19Å; F345-R478 HydrophobicContact CE1-CB 3.97Å; F345-R478 HydrophobicContact CE2-CB 4.05Å; F345-R478 HydrophobicContact CG-CB 4.25Å; F345-R478 HydrophobicContact CZ-CB 3.95Å; F345-T479 HydrophobicContact CE1-CG2 3.84Å; F345-T479 HydrophobicContact CZ-CG2 4.21Å
346	D	89.2	Confident	92.1	Very high	98 Å²	98	53.7 Å²	53.7	52%	0.524	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.5	133.2	170.7	-67.8	-10.6	0	0	0	110	K343 I344 Q348	K343-D346 WeakPolarHBondContact O-CB 3.44Å; K343-D346 PolarHBondContact O-N 3.01Å; K343-D346 VanDerWaalsContact O-N 3.09Å; I344-D346 PolarHBondContact O-N 2.88Å; D346-Q348 PolarHBondContact O-N 3.48Å
347	N	84.4	Confident	92.2	Very high	118 Å²	118	52.6 Å²	52.6	63%	0.631	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	58	26.7	-178.2	-49.4	-55.2	0	0	0	114.4	F345 S349 D350 N351	F345-N347 PolarHBondContact O-N 3.32Å; N347-S349 PolarHBondContact O-N 3.05Å; N347-S349 VanDerWaalsContact O-N 3.13Å; N347-D350 PolarHBondContact O-N 3.24Å; N347-N351 PolarHBondContact O-N 3.18Å
348	Q	88.4	Confident	92.3	Very high	24 Å²	24	46.9 Å²	46.9	11%	0.112	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.3	-25.6	176.6	63.5	177.7	-0.1	0	0	113.7	F345 D346 D350 N351 P352 R478	F345-Q348 VanDerWaalsContact O-CB 3.27Å; F345-Q348 WeakPolarHBondContact O-CB 3.34Å; F345-Q348 WeakPolarHBondContact O-CG 3.35Å; F345-Q348 PolarHBondContact O-N 3.01Å; F345-Q348 VanDerWaalsContact O-N 3.11Å; D346-Q348 PolarHBondContact O-N 3.48Å; Q348-D350 VanDerWaalsContact C-N 3.28Å; Q348-D350 PolarHBondContact O-N 3.25Å; Q348-N351 CarbonylContact O-C 3.54Å; Q348-N351 PolarHBondContact O-N 2.99Å; Q348-P352 WeakPolarHBondContact O-CA 3.22Å; Q348-R478 PolarHBondContact OE1-O 2.82Å
349	S	82.6	Confident	91.9	Very high	110 Å²	110	47 Å²	47	77%	0.769	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61	-35.9	174.2	-54.5	0	0	0	0	112.7	N347	N347-S349 PolarHBondContact O-N 3.05Å; N347-S349 VanDerWaalsContact O-N 3.13Å
350	D	83.2	Confident	91.2	Very high	80 Å²	80	44.2 Å²	44.2	43%	0.428	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.7	-34.8	178.3	-68.8	-39.4	0	0	0	112.4	N347 Q348 R391	N347-D350 PolarHBondContact O-N 3.24Å; Q348-D350 VanDerWaalsContact C-N 3.28Å; Q348-D350 PolarHBondContact O-N 3.25Å; D350-R391 PolarHBondContact O-NH1 3.28Å
351	N	90	Very high	90.3	Very high	37 Å²	37	41.7 Å²	41.7	20%	0.198	22%	0.22	C	C	.	.	S	Bend	trans	-132.1	83.2	-174.8	-63.6	-81.5	0	0	0	110.2	N347 Q348 K420 R422	N347-N351 PolarHBondContact O-N 3.18Å; Q348-N351 CarbonylContact O-C 3.54Å; Q348-N351 PolarHBondContact O-N 2.99Å; N351-K420 HydrophobicContact CB-CB 4.37Å; N351-K420 WeakPolarHBondContact OD1-CB 3Å; N351-K420 WeakPolarHBondContact OD1-CG 3.49Å; N351-K420 PolarHBondContact OD1-N 3.16Å; N351-R422 PolarHBondContact O-NH1 3.07Å
352	P	94.8	Very high	89	Confident	10 Å²	10	38.1 Å²	38.1	7%	0.065	20%	0.204	C	C	.	.			trans	-62.6	152	-175.8	25.7	-35.1	0	0	0	111.9	Q348 Y383 F384 I387 V419 N480	Q348-P352 WeakPolarHBondContact O-CA 3.22Å; P352-Y383 HydrophobicContact CB-CE1 4.28Å; P352-Y383 HydrophobicContact CG-CE1 4.42Å; P352-F384 HydrophobicContact CG-CE1 4.22Å; P352-I387 HydrophobicContact CG-CG1 4.33Å; P352-I387 HydrophobicContact CG-CG2 4.28Å; P352-V419 HydrophobicContact CG-CG1 4.08Å; P352-N480 WeakPolarHBondContact CA-OD1 3.26Å; P352-N480 HydrophobicContact CB-CB 3.93Å; P352-N480 WeakPolarHBondContact CB-OD1 3.39Å
353	I	97.8	Very high	87.5	Confident	0 Å²	0	40.4 Å²	40.4	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	129.5	177.9	-53.4	-177.9	0	0	0	108.7	I344 F345 R422 T479 N480	I344-I353 HydrophobicContact CB-CD1 4.38Å; I344-I353 HydrophobicContact CG1-CD1 4.28Å; I344-I353 VanDerWaalsContact O-CD1 3.24Å; I344-I353 WeakPolarHBondContact O-CD1 3.46Å; F345-I353 HydrophobicContact CD1-CD1 3.73Å; F345-I353 HydrophobicContact CE1-CB 4.42Å; F345-I353 HydrophobicContact CE1-CD1 3.98Å; F345-I353 HydrophobicContact CE1-CG2 4.46Å; F345-I353 HydrophobicContact CG-CD1 4.45Å; I353-R422 WeakPolarHBondContact CA-O 3.35Å; I353-R422 HydrophobicContact CB-CB 4.48Å; I353-R422 HydrophobicContact CG1-CB 3.99Å; I353-T479 HydrophobicContact CG2-CG2 4.25Å; I353-T479 WeakPolarHBondContact O-CB 3.21Å; I353-N480 PolarHBondContact N-OD1 3.34Å; I353-N480 PolarHBondContact O-N 3.46Å
354	V	98.7	Very high	86	Confident	0 Å²	0	37.3 Å²	37.3	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	126.2	170.4	-175.1	0	0	0	0	108.8	V380 Y383 F384 R422 V423 Y424 Y481 V483	V354-V380 HydrophobicContact CB-CG1 4.22Å; V354-V380 HydrophobicContact CB-CG2 4.37Å; V354-V380 HydrophobicContact CG1-CB 4.35Å; V354-V380 HydrophobicContact CG1-CG1 4.36Å; V354-V380 HydrophobicContact CG1-CG2 3.72Å; V354-V380 HydrophobicContact CG2-CG1 4.29Å; V354-Y383 HydrophobicContact CG2-CD1 3.31Å; V354-Y383 HydrophobicContact CG2-CE1 3.72Å; V354-Y383 HydrophobicContact CG2-CG 4.12Å; V354-F384 HydrophobicContact CB-CE2 4.47Å; V354-F384 HydrophobicContact CG2-CD2 4.3Å; V354-F384 HydrophobicContact CG2-CE2 3.66Å; V354-F384 HydrophobicContact CG2-CZ 3.86Å; V354-R422 PolarHBondContact N-O 3.01Å; V354-V423 CarbonylContact O-C 3.57Å; V354-V423 VanDerWaalsContact O-CA 3.24Å; V354-V423 WeakPolarHBondContact O-CA 3.18Å; V354-Y424 PolarHBondContact O-N 3.01Å; V354-Y481 CarbonylContact C-O 3.41Å; V354-Y481 WeakPolarHBondContact CA-O 3.27Å; V354-Y481 HydrophobicContact CG1-CD1 4.25Å; V354-Y481 WeakPolarHBondContact CG1-O 3.48Å; V354-V483 HydrophobicContact CG1-CG2 3.86Å
355	G	98.7	Very high	84.6	Confident	0 Å²	0	42.9 Å²	42.9	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	132.5	171.6	0	0	0	0	0	110.5	Y424 T479 Y481 L482 V483	G355-Y424 CarbonylContact C-O 3.59Å; G355-T479 PolarHBondContact N-OG1 3Å; G355-Y481 PolarHBondContact N-O 3.47Å; G355-L482 CarbonylContact O-C 3.51Å; G355-V483 PolarHBondContact O-N 2.96Å
356	I	98.6	Very high	82.9	Confident	0 Å²	0	47.8 Å²	47.8	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	131.7	167.2	71.2	175.2	0	0	0	110.1	V358 L373 Y376 V380 V423 Y424 I425 A426 V483	I356-V358 HydrophobicContact CB-CG2 4.47Å; I356-V358 HydrophobicContact CD1-CG2 3.84Å; I356-V358 HydrophobicContact CG1-CG2 4.03Å; I356-L373 HydrophobicContact CD1-CD1 3.91Å; I356-Y376 HydrophobicContact CB-CD1 4.33Å; I356-V380 HydrophobicContact CG2-CG2 3.54Å; I356-V423 HydrophobicContact CD1-CG1 4.03Å; I356-V423 HydrophobicContact CG1-CG1 3.96Å; I356-V423 HydrophobicContact CG2-CG1 3.95Å; I356-Y424 PolarHBondContact N-O 2.82Å; I356-I425 HydrophobicContact CD1-CD1 4.19Å; I356-I425 HydrophobicContact CD1-CG1 3.86Å; I356-I425 HydrophobicContact CD1-CG2 4.36Å; I356-I425 HydrophobicContact CG1-CB 4.18Å; I356-I425 HydrophobicContact CG1-CG1 3.87Å; I356-I425 HydrophobicContact CG1-CG2 4.16Å; I356-A426 PolarHBondContact O-N 3.17Å; I356-V483 VanDerWaalsContact CA-O 3.27Å; I356-V483 WeakPolarHBondContact CA-O 3.42Å; I356-V483 HydrophobicContact CG2-CB 4.13Å
357	H	97.2	Very high	81.4	Confident	19 Å²	19	47 Å²	47	9%	0.088	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	102.2	170.9	172	-91	0	0	0	109.2	Y376 A426 L476 V483 C484 S488	H357-Y376 VanDerWaalsContact O-CE1 3.29Å; H357-Y376 WeakPolarHBondContact O-CE1 3.15Å; H357-A426 CarbonylContact C-O 3.58Å; H357-A426 WeakPolarHBondContact CA-O 3.3Å; H357-L476 HydrophobicContact CB-CD1 3.95Å; H357-V483 PolarHBondContact N-O 3.46Å; H357-V483 VanDerWaalsContact N-O 3.09Å; H357-C484 HydrophobicContact CB-CB 3.99Å; H357-S488 PolarHBondContact CE1-OG 2.69Å; H357-S488 VanDerWaalsContact CE1-OG 3.25Å
358	V	94	Very high	80.2	Confident	0 Å²	0	41.9 Å²	41.9	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	120.7	-176	-172	0	0	0	0	109.6	I356 R360 Y376 A426 T427 I432	I356-V358 HydrophobicContact CB-CG2 4.47Å; I356-V358 HydrophobicContact CD1-CG2 3.84Å; I356-V358 HydrophobicContact CG1-CG2 4.03Å; V358-R360 HydrophobicContact CG1-CG 4.05Å; V358-Y376 HydrophobicContact CB-CE2 4.5Å; V358-Y376 HydrophobicContact CG1-CE2 4.01Å; V358-Y376 HydrophobicContact CG2-CD1 4.33Å; V358-Y376 HydrophobicContact CG2-CD2 4.19Å; V358-Y376 HydrophobicContact CG2-CE1 4.34Å; V358-Y376 HydrophobicContact CG2-CE2 4.23Å; V358-Y376 HydrophobicContact CG2-CG 4.27Å; V358-A426 PolarHBondContact N-O 3.32Å; V358-T427 WeakPolarHBondContact O-CA 3.48Å; V358-T427 PolarHBondContact O-OG1 2.69Å; V358-I432 HydrophobicContact CG1-CD1 4.22Å; V358-I432 HydrophobicContact CG1-CG1 4.33Å; V358-I432 HydrophobicContact CG2-CG2 4.4Å
359	R	84.6	Confident	79.6	Confident	12 Å²	12	44.8 Å²	44.8	5%	0.045	25%	0.253	C	S	.	.			trans	-102.5	113.7	175.8	-171	-175.5	-169.7	165.3	14	109.5	D362 K363 E367	R359-D362 WeakPolarHBondContact CD-O 3.42Å; R359-D362 HydrophobicContact CG-CB 4.39Å; R359-D362 WeakPolarHBondContact CG-O 3.39Å; R359-D362 IonicContact CZ-OD2 3.55Å; R359-D362 PolarHBondContact NE-O 3.06Å; R359-D362 IonicContact NE-OD2 3.79Å; R359-D362 PolarHBondContact NE-OD2 2.88Å; R359-D362 IonicContact NH2-OD2 3.28Å; R359-D362 PolarHBondContact NH2-OD2 3.23Å; R359-K363 VanDerWaalsContact NH2-CB 3.28Å; R359-E367 IonicContact CZ-OE1 3.26Å; R359-E367 IonicContact NH1-OE1 3.22Å; R359-E367 PolarHBondContact NH1-OE1 3.15Å; R359-E367 IonicContact NH2-OE1 2.77Å; R359-E367 PolarHBondContact NH2-OE1 3.18Å
360	R	79.3	Confident	79.7	Confident	32 Å²	32	45.2 Å²	45.2	12%	0.121	24%	0.241	C	C	.	.	S	Bend	trans	-116	-36.4	-175.6	-80	-55.9	-161.7	-154.5	-1.3	115.1	V358 I364 H371 D428 D429 I432 E435	V358-R360 HydrophobicContact CG1-CG 4.05Å; R360-I364 VanDerWaalsContact C-CD1 3.48Å; R360-I364 WeakPolarHBondContact O-CD1 3.47Å; R360-H371 PolarHBondContact NH1-O 3.43Å; R360-D428 PolarHBondContact N-OD1 3.22Å; R360-D429 HydrophobicContact CB-CB 3.47Å; R360-D429 VanDerWaalsContact CB-CB 3.47Å; R360-D429 HydrophobicContact CG-CB 3.71Å; R360-I432 HydrophobicContact CG-CD1 3.83Å; R360-I432 HydrophobicContact CG-CG1 4Å; R360-E435 IonicContact NH2-OE2 2.76Å
361	T	69.1	Low	80	Confident	67 Å²	67	42.2 Å²	42.2	41%	0.411	23%	0.225	S	C	.	.	S	Bend	trans	-109.6	-29.5	-173.1	70.4	0	0	0	0	112.6	D428	T361-D428 WeakPolarHBondContact CA-OD2 3.26Å; T361-D428 WeakPolarHBondContact CB-OD2 3.39Å; T361-D428 PolarHBondContact N-OD1 3.33Å; T361-D428 PolarHBondContact N-OD2 2.9Å; T361-D428 PolarHBondContact OG1-OD2 3.4Å
362	D	60.8	Low	80.1	Confident	13 Å²	13	41.9 Å²	41.9	7%	0.07	23%	0.225	C	C	.	.	S	Bend	trans	-89.4	128.4	-172.6	-179.2	56.6	0	0	0	113.9	R359 I364 D428 L457 R460	R359-D362 WeakPolarHBondContact CD-O 3.42Å; R359-D362 HydrophobicContact CG-CB 4.39Å; R359-D362 WeakPolarHBondContact CG-O 3.39Å; R359-D362 IonicContact CZ-OD2 3.55Å; R359-D362 PolarHBondContact NE-O 3.06Å; R359-D362 IonicContact NE-OD2 3.79Å; R359-D362 PolarHBondContact NE-OD2 2.88Å; R359-D362 IonicContact NH2-OD2 3.28Å; R359-D362 PolarHBondContact NH2-OD2 3.23Å; D362-I364 PolarHBondContact O-N 3.32Å; D362-D428 PolarHBondContact N-OD2 2.85Å; D362-L457 WeakPolarHBondContact OD1-CD2 3.39Å; D362-R460 IonicContact OD1-CZ 2.9Å; D362-R460 IonicContact OD1-NH1 2.75Å; D362-R460 PolarHBondContact OD1-NH1 3.35Å; D362-R460 IonicContact OD1-NH2 3.61Å; D362-R460 PolarHBondContact OD1-NH2 2.92Å; D362-R460 IonicContact OD2-CZ 3.44Å; D362-R460 IonicContact OD2-NH1 2.63Å; D362-R460 PolarHBondContact OD2-NH1 3.45Å; D362-R460 VanDerWaalsContact OD2-NH1 3.09Å; D362-R460 IonicContact OD2-NH2 3.28Å; D362-R460 PolarHBondContact OD2-NH2 3.14Å; D362-R460 VanDerWaalsContact OD2-NH2 3.1Å
363	K	62.9	Low	80.1	Confident	78 Å²	78	41.4 Å²	41.4	34%	0.339	22%	0.222	S	C	.	.	S	Bend	trans	47.7	23.9	173.9	-44.1	-171.9	-152.6	160	0	116.7	R359 N365 T366 E367 A368	R359-K363 VanDerWaalsContact NH2-CB 3.28Å; K363-N365 PolarHBondContact O-N 3.15Å; K363-T366 WeakPolarHBondContact CA-OG1 3.49Å; K363-T366 WeakPolarHBondContact CB-OG1 3.34Å; K363-T366 PolarHBondContact O-N 3.06Å; K363-T366 PolarHBondContact O-OG1 3.4Å; K363-E367 HydrophobicContact CB-CB 3.74Å; K363-E367 HydrophobicContact CD-CB 3.8Å; K363-E367 VanDerWaalsContact CD-CD 3.5Å; K363-E367 HydrophobicContact CD-CG 4.31Å; K363-E367 WeakPolarHBondContact CD-OE2 3.46Å; K363-E367 WeakPolarHBondContact CE-OE2 3.36Å; K363-E367 HydrophobicContact CG-CB 4.44Å; K363-E367 IonicContact NZ-OE1 3.15Å; K363-E367 PolarHBondContact NZ-OE1 2.98Å; K363-E367 IonicContact NZ-OE2 3.36Å; K363-E367 PolarHBondContact NZ-OE2 3.37Å; K363-E367 PolarHBondContact O-N 3.21Å; K363-A368 PolarHBondContact O-N 3.37Å; K363-A368 VanDerWaalsContact O-N 3.17Å
364	I	62.2	Low	80.1	Confident	36 Å²	36	47 Å²	47	19%	0.185	25%	0.248	C	C	.	.	B	Isolated β-bridge	trans	-62.8	133.8	167.7	-60	-159.7	0	0	0	108.2	R360 D362 T366 A368 F370	R360-I364 VanDerWaalsContact C-CD1 3.48Å; R360-I364 WeakPolarHBondContact O-CD1 3.47Å; D362-I364 PolarHBondContact O-N 3.32Å; I364-T366 VanDerWaalsContact C-N 3.26Å; I364-T366 PolarHBondContact O-N 3Å; I364-A368 WeakPolarHBondContact CA-O 3.41Å; I364-F370 HydrophobicContact CD1-CB 4.46Å; I364-F370 HydrophobicContact CD1-CD2 4.07Å; I364-F370 HydrophobicContact CG2-CB 4.16Å
365	N	64.7	Low	79.9	Confident	149 Å²	149	50.6 Å²	50.6	80%	0.797	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	72	0.8	-174.5	-49.7	-45.2	0	0	0	116.1	K363 A368	K363-N365 PolarHBondContact O-N 3.15Å; N365-A368 PolarHBondContact N-O 3.48Å
366	T	59.6	Low	79.9	Confident	120 Å²	120	50.7 Å²	50.7	74%	0.736	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-116.8	-50.6	173.6	55.2	0	0	0	0	112.7	K363 I364	K363-T366 WeakPolarHBondContact CA-OG1 3.49Å; K363-T366 WeakPolarHBondContact CB-OG1 3.34Å; K363-T366 PolarHBondContact O-N 3.06Å; K363-T366 PolarHBondContact O-OG1 3.4Å; I364-T366 VanDerWaalsContact C-N 3.26Å; I364-T366 PolarHBondContact O-N 3Å
367	E	57.9	Low	79.9	Confident	82 Å²	82	50.8 Å²	50.8	38%	0.383	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111.9	-31.3	178.9	-176.3	176.3	97.3	0	0	112.2	R359 K363	R359-E367 IonicContact CZ-OE1 3.26Å; R359-E367 IonicContact NH1-OE1 3.22Å; R359-E367 PolarHBondContact NH1-OE1 3.15Å; R359-E367 IonicContact NH2-OE1 2.77Å; R359-E367 PolarHBondContact NH2-OE1 3.18Å; K363-E367 HydrophobicContact CB-CB 3.74Å; K363-E367 HydrophobicContact CD-CB 3.8Å; K363-E367 VanDerWaalsContact CD-CD 3.5Å; K363-E367 HydrophobicContact CD-CG 4.31Å; K363-E367 WeakPolarHBondContact CD-OE2 3.46Å; K363-E367 WeakPolarHBondContact CE-OE2 3.36Å; K363-E367 HydrophobicContact CG-CB 4.44Å; K363-E367 IonicContact NZ-OE1 3.15Å; K363-E367 PolarHBondContact NZ-OE1 2.98Å; K363-E367 IonicContact NZ-OE2 3.36Å; K363-E367 PolarHBondContact NZ-OE2 3.37Å; K363-E367 PolarHBondContact O-N 3.21Å
368	A	59.7	Low	79.8	Confident	11 Å²	11	53.7 Å²	53.7	9%	0.091	29%	0.285	C	S	.	.	B	Isolated β-bridge	trans	-134.2	153.5	-174.7	0	0	0	0	0	112.4	K363 I364 N365	K363-A368 PolarHBondContact O-N 3.37Å; K363-A368 VanDerWaalsContact O-N 3.17Å; I364-A368 WeakPolarHBondContact CA-O 3.41Å; N365-A368 PolarHBondContact N-O 3.48Å
369	S	75.8	Confident	79.9	Confident	84 Å²	84	54.7 Å²	54.7	59%	0.587	29%	0.29	S	S	*	.			trans	-83.2	153.7	169.4	-63.2	0	0	0	0	111.1	H371	S369-H371 PolarHBondContact O-CD2 2.91Å; S369-H371 VanDerWaalsContact O-CD2 3.32Å; S369-H371 PolarHBondContact O-N 2.82Å
370	F	84.8	Confident	80.5	Confident	119 Å²	119	54.1 Å²	54.1	52%	0.522	29%	0.288	S	S	.	.			trans	-68.8	126.2	169.8	176.5	-85.6	0	0	0	109.4	I364	I364-F370 HydrophobicContact CD1-CB 4.46Å; I364-F370 HydrophobicContact CD1-CD2 4.07Å; I364-F370 HydrophobicContact CG2-CB 4.16Å
371	H	88.1	Confident	81.4	Confident	18 Å²	18	55.1 Å²	55.1	8%	0.083	29%	0.294	C	S	.	.			trans	-116.6	126.6	170.5	-68.7	-79.9	0	0	0	109.3	R360 S369 E375 Y376 L515	R360-H371 PolarHBondContact NH1-O 3.43Å; S369-H371 PolarHBondContact O-CD2 2.91Å; S369-H371 VanDerWaalsContact O-CD2 3.32Å; S369-H371 PolarHBondContact O-N 2.82Å; H371-E375 WeakPolarHBondContact CA-OE1 3.41Å; H371-E375 IonicContact CE1-OE2 3.44Å; H371-E375 IonicContact CG-OE2 2.78Å; H371-E375 IonicContact ND1-OE2 2.65Å; H371-E375 PolarHBondContact ND1-OE2 2.9Å; H371-Y376 HydrophobicContact CB-CE2 3.71Å; H371-L515 HydrophobicContact CB-CD1 4.01Å; H371-L515 PolarHBondContact CE1-O 3.24Å
372	S	92.8	Very high	82.6	Confident	30 Å²	30	53.1 Å²	53.1	21%	0.21	28%	0.283	C	S	.	.			trans	-64.9	153.6	176.5	65.1	0	0	0	0	111.4	E374 E375 Y376	S372-E374 PolarHBondContact O-N 2.85Å; S372-E375 PolarHBondContact N-OE1 3.28Å; S372-E375 PolarHBondContact O-N 3.49Å; S372-E375 VanDerWaalsContact O-N 3.12Å; S372-E375 WeakPolarHBondContact OG-CG 3.4Å; S372-E375 PolarHBondContact OG-N 3.29Å; S372-E375 PolarHBondContact OG-OE1 3.09Å; S372-Y376 VanDerWaalsContact O-CD2 3.23Å; S372-Y376 WeakPolarHBondContact O-CD2 3.25Å
373	L	95.7	Very high	84.3	Confident	0 Å²	0	53.8 Å²	53.8	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-57.1	-31.6	172.7	177.4	61.8	0	0	0	111.2	I356 E375 Y376 M377 I432 E435 A436 Y440	I356-L373 HydrophobicContact CD1-CD1 3.91Å; L373-E375 VanDerWaalsContact C-N 3.32Å; L373-E375 PolarHBondContact O-N 3.04Å; L373-Y376 PolarHBondContact O-N 3.38Å; L373-M377 HydrophobicContact CD1-CG 4.05Å; L373-M377 HydrophobicContact CG-CG 4.08Å; L373-M377 WeakPolarHBondContact O-CB 3.41Å; L373-M377 WeakPolarHBondContact O-CG 3.34Å; L373-M377 PolarHBondContact O-N 2.92Å; L373-I432 HydrophobicContact CD1-CG2 4.16Å; L373-E435 HydrophobicContact CD2-CB 4.06Å; L373-E435 HydrophobicContact CD2-CG 3.8Å; L373-A436 HydrophobicContact CD2-CB 3.84Å; L373-Y440 HydrophobicContact CD2-CD2 4.49Å; L373-Y440 HydrophobicContact CD2-CE2 4.09Å; L373-Y440 HydrophobicContact CG-CE2 4.19Å
374	E	96.8	Very high	86	Confident	116 Å²	116	50.1 Å²	50.1	54%	0.542	27%	0.268	S	S	.	.	H	α-helix	trans	-60	-38	177.3	-174.9	175.2	178.2	0	0	113.4	S372 M377 T378 Y440	S372-E374 PolarHBondContact O-N 2.85Å; E374-M377 PolarHBondContact O-N 3.25Å; E374-T378 WeakPolarHBondContact O-CB 3.26Å; E374-T378 PolarHBondContact O-N 3.28Å; E374-T378 PolarHBondContact O-OG1 3.16Å; E374-Y440 VanDerWaalsContact CA-OH 3.3Å; E374-Y440 WeakPolarHBondContact CA-OH 3Å
375	E	94.9	Very high	87.5	Confident	77 Å²	77	52.7 Å²	52.7	36%	0.36	28%	0.279	S	S	.	.	H	α-helix	trans	-64.1	-45.5	175.6	-73.4	164.7	-98.4	0	0	111.6	H371 S372 L373 M377 T378 E379 L515	H371-E375 WeakPolarHBondContact CA-OE1 3.41Å; H371-E375 IonicContact CE1-OE2 3.44Å; H371-E375 IonicContact CG-OE2 2.78Å; H371-E375 IonicContact ND1-OE2 2.65Å; H371-E375 PolarHBondContact ND1-OE2 2.9Å; S372-E375 PolarHBondContact N-OE1 3.28Å; S372-E375 PolarHBondContact O-N 3.49Å; S372-E375 VanDerWaalsContact O-N 3.12Å; S372-E375 WeakPolarHBondContact OG-CG 3.4Å; S372-E375 PolarHBondContact OG-N 3.29Å; S372-E375 PolarHBondContact OG-OE1 3.09Å; L373-E375 VanDerWaalsContact C-N 3.32Å; L373-E375 PolarHBondContact O-N 3.04Å; E375-M377 VanDerWaalsContact C-N 3.34Å; E375-M377 PolarHBondContact O-N 2.59Å; E375-T378 PolarHBondContact O-N 3.25Å; E375-E379 PolarHBondContact O-N 3.06Å; E375-L515 HydrophobicContact CB-CD1 4.05Å
376	Y	97.9	Very high	88.9	Confident	1 Å²	1	46.5 Å²	46.5	0%	0.004	25%	0.246	C	C	.	.	H	α-helix	trans	-60.2	-47	174.4	-65	-92.5	0	0	0	110.7	I356 H357 V358 H371 S372 L373 T378 E379 V380 V483 L515	I356-Y376 HydrophobicContact CB-CD1 4.33Å; H357-Y376 VanDerWaalsContact O-CE1 3.29Å; H357-Y376 WeakPolarHBondContact O-CE1 3.15Å; V358-Y376 HydrophobicContact CB-CE2 4.5Å; V358-Y376 HydrophobicContact CG1-CE2 4.01Å; V358-Y376 HydrophobicContact CG2-CD1 4.33Å; V358-Y376 HydrophobicContact CG2-CD2 4.19Å; V358-Y376 HydrophobicContact CG2-CE1 4.34Å; V358-Y376 HydrophobicContact CG2-CE2 4.23Å; V358-Y376 HydrophobicContact CG2-CG 4.27Å; H371-Y376 HydrophobicContact CB-CE2 3.71Å; S372-Y376 VanDerWaalsContact O-CD2 3.23Å; S372-Y376 WeakPolarHBondContact O-CD2 3.25Å; L373-Y376 PolarHBondContact O-N 3.38Å; Y376-T378 VanDerWaalsContact C-N 3.3Å; Y376-T378 PolarHBondContact O-N 2.75Å; Y376-E379 PolarHBondContact O-N 3.04Å; Y376-V380 VanDerWaalsContact O-CG2 3.26Å; Y376-V380 WeakPolarHBondContact O-CG2 3.16Å; Y376-V380 PolarHBondContact O-N 3.12Å; Y376-V483 HydrophobicContact CD1-CG1 3.99Å; Y376-L515 HydrophobicContact CD1-CD1 3.69Å; Y376-L515 HydrophobicContact CD2-CD1 3.84Å; Y376-L515 HydrophobicContact CE1-CD1 3.63Å; Y376-L515 HydrophobicContact CE1-CG 4.47Å; Y376-L515 HydrophobicContact CE2-CD1 3.76Å; Y376-L515 HydrophobicContact CG-CD1 3.79Å
377	M	98.2	Very high	90.6	Very high	2 Å²	2	41.1 Å²	41.1	1%	0.01	21%	0.212	C	C	.	.	H	α-helix	trans	-69.5	-26.7	-176.7	-69.8	-58	-57.7	0	0	113.2	L373 E374 E375 E379 V380 E381 V423 Y440 Y443 F445	L373-M377 HydrophobicContact CD1-CG 4.05Å; L373-M377 HydrophobicContact CG-CG 4.08Å; L373-M377 WeakPolarHBondContact O-CB 3.41Å; L373-M377 WeakPolarHBondContact O-CG 3.34Å; L373-M377 PolarHBondContact O-N 2.92Å; E374-M377 PolarHBondContact O-N 3.25Å; E375-M377 VanDerWaalsContact C-N 3.34Å; E375-M377 PolarHBondContact O-N 2.59Å; M377-E379 VanDerWaalsContact C-N 3.32Å; M377-V380 HydrophobicContact CE-CB 4.34Å; M377-V380 HydrophobicContact CE-CG1 4.07Å; M377-V380 PolarHBondContact O-N 3.46Å; M377-V380 HydrophobicContact SD-CB 4.28Å; M377-V380 HydrophobicContact SD-CG1 4.4Å; M377-V380 HydrophobicContact SD-CG2 4.09Å; M377-E381 WeakPolarHBondContact O-CB 3.44Å; M377-E381 PolarHBondContact O-N 3.38Å; M377-V423 HydrophobicContact CE-CG2 4.46Å; M377-Y440 HydrophobicContact CB-CD1 4.3Å; M377-Y440 HydrophobicContact CB-CE1 3.68Å; M377-Y440 HydrophobicContact CB-CE2 4Å; M377-Y440 HydrophobicContact CE-CD1 3.99Å; M377-Y440 HydrophobicContact CE-CD2 4.31Å; M377-Y440 HydrophobicContact CE-CE1 4.47Å; M377-Y440 HydrophobicContact CE-CG 3.91Å; M377-Y440 HydrophobicContact CG-CD1 4.39Å; M377-Y440 HydrophobicContact CG-CD2 3.91Å; M377-Y440 HydrophobicContact CG-CE1 4.07Å; M377-Y440 HydrophobicContact CG-CE2 3.56Å; M377-Y440 HydrophobicContact CG-CG 4.33Å; M377-Y443 HydrophobicContact CE-CD1 3.79Å; M377-Y443 HydrophobicContact CE-CD2 4.15Å; M377-Y443 HydrophobicContact CE-CE1 3.76Å; M377-Y443 HydrophobicContact CE-CE2 4.09Å; M377-Y443 HydrophobicContact CE-CG 3.99Å; M377-F445 HydrophobicContact CE-CE1 4.16Å; M377-F445 HydrophobicContact CE-CZ 4.02Å; M377-F445 HydrophobicContact SD-CE1 3.98Å; M377-F445 HydrophobicContact SD-CZ 4.29Å
378	T	96	Very high	92.2	Very high	81 Å²	81	39.9 Å²	39.9	50%	0.497	21%	0.208	S	C	.	.	H	α-helix	trans	-61.6	-42.1	171.5	-64.2	0	0	0	0	111	E374 E375 Y376 S382	E374-T378 WeakPolarHBondContact O-CB 3.26Å; E374-T378 PolarHBondContact O-N 3.28Å; E374-T378 PolarHBondContact O-OG1 3.16Å; E375-T378 PolarHBondContact O-N 3.25Å; Y376-T378 VanDerWaalsContact C-N 3.3Å; Y376-T378 PolarHBondContact O-N 2.75Å; T378-S382 PolarHBondContact O-N 3.18Å
379	E	95.8	Very high	93.8	Very high	21 Å²	21	39.7 Å²	39.7	10%	0.098	21%	0.207	C	C	.	.	H	α-helix	trans	-77.3	-34.8	178.8	-60.7	-66.3	-176.8	0	0	112.4	K111 E375 Y376 M377 E381 S382 Y383 V483 R513 L515	K111-E379 IonicContact NZ-OE2 2.68Å; K111-E379 PolarHBondContact NZ-OE2 3.05Å; E375-E379 PolarHBondContact O-N 3.06Å; Y376-E379 PolarHBondContact O-N 3.04Å; M377-E379 VanDerWaalsContact C-N 3.32Å; E379-E381 VanDerWaalsContact C-N 3.35Å; E379-S382 PolarHBondContact O-N 2.96Å; E379-Y383 PolarHBondContact O-N 2.68Å; E379-V483 HydrophobicContact CB-CG1 3.9Å; E379-V483 HydrophobicContact CB-CG2 4.12Å; E379-V483 HydrophobicContact CG-CG1 4.47Å; E379-R513 HydrophobicContact CB-CB 4.47Å; E379-R513 HydrophobicContact CB-CG 3.86Å; E379-R513 HydrophobicContact CG-CG 3.59Å; E379-R513 IonicContact OE1-CZ 2.64Å; E379-R513 IonicContact OE1-NE 2.73Å; E379-R513 PolarHBondContact OE1-NE 2.94Å; E379-R513 IonicContact OE1-NH2 3.7Å; E379-R513 PolarHBondContact OE1-NH2 2.85Å; E379-R513 IonicContact OE2-NE 3.28Å; E379-L515 HydrophobicContact CG-CD2 4.03Å
380	V	98.4	Very high	94.5	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-57.6	-48.6	169.1	172.8	0	0	0	0	110.3	V354 I356 Y376 M377 Y383 F384 V423 Y443 V483	V354-V380 HydrophobicContact CB-CG1 4.22Å; V354-V380 HydrophobicContact CB-CG2 4.37Å; V354-V380 HydrophobicContact CG1-CB 4.35Å; V354-V380 HydrophobicContact CG1-CG1 4.36Å; V354-V380 HydrophobicContact CG1-CG2 3.72Å; V354-V380 HydrophobicContact CG2-CG1 4.29Å; I356-V380 HydrophobicContact CG2-CG2 3.54Å; Y376-V380 VanDerWaalsContact O-CG2 3.26Å; Y376-V380 WeakPolarHBondContact O-CG2 3.16Å; Y376-V380 PolarHBondContact O-N 3.12Å; M377-V380 HydrophobicContact CE-CB 4.34Å; M377-V380 HydrophobicContact CE-CG1 4.07Å; M377-V380 PolarHBondContact O-N 3.46Å; M377-V380 HydrophobicContact SD-CB 4.28Å; M377-V380 HydrophobicContact SD-CG1 4.4Å; M377-V380 HydrophobicContact SD-CG2 4.09Å; V380-Y383 WeakPolarHBondContact O-CB 3.44Å; V380-Y383 PolarHBondContact O-N 2.63Å; V380-F384 HydrophobicContact CG1-CD2 3.83Å; V380-F384 HydrophobicContact CG1-CE2 3.7Å; V380-F384 VanDerWaalsContact O-CD2 3.27Å; V380-F384 WeakPolarHBondContact O-CD2 3.3Å; V380-F384 PolarHBondContact O-N 3.15Å; V380-F384 VanDerWaalsContact O-N 3.08Å; V380-V423 HydrophobicContact CG1-CG2 3.78Å; V380-Y443 HydrophobicContact CG1-CD1 4.38Å; V380-Y443 HydrophobicContact CG1-CE1 3.84Å; V380-V483 HydrophobicContact CG2-CG2 4.22Å
381	E	97.4	Very high	94.7	Very high	53 Å²	53	33.6 Å²	33.6	25%	0.248	17%	0.168	C	C	.	.	H	α-helix	trans	-62.8	-44.5	178.7	174.3	53.3	-163.7	0	0	111.3	M377 E379 Y383 F384 Q385 R421 Y443	M377-E381 WeakPolarHBondContact O-CB 3.44Å; M377-E381 PolarHBondContact O-N 3.38Å; E379-E381 VanDerWaalsContact C-N 3.35Å; E381-Y383 VanDerWaalsContact C-N 3.26Å; E381-Y383 PolarHBondContact O-N 3.12Å; E381-F384 PolarHBondContact O-N 3.04Å; E381-F384 VanDerWaalsContact O-N 3.11Å; E381-Q385 HydrophobicContact CG-CG 4.42Å; E381-Q385 WeakPolarHBondContact O-CG 3.1Å; E381-Q385 PolarHBondContact O-N 3.47Å; E381-Q385 WeakPolarHBondContact OE1-CG 3.36Å; E381-Q385 PolarHBondContact OE1-NE2 3.06Å; E381-R421 IonicContact OE1-NH1 3.3Å; E381-R421 IonicContact OE1-NH2 3.03Å; E381-R421 IonicContact OE2-CZ 3.95Å; E381-R421 IonicContact OE2-NH1 2.83Å; E381-R421 PolarHBondContact OE2-NH1 3.16Å; E381-R421 IonicContact OE2-NH2 3.8Å; E381-Y443 PolarHBondContact OE2-OH 2.94Å
382	S	94.7	Very high	94.6	Very high	25 Å²	25	38.6 Å²	38.6	18%	0.175	19%	0.192	C	C	.	.	H	α-helix	trans	-59.6	-36.9	176.2	-178	0	0	0	0	112.8	K111 T378 E379 F386	K111-S382 WeakPolarHBondContact CE-OG 3.5Å; K111-S382 PolarHBondContact NZ-OG 2.82Å; T378-S382 PolarHBondContact O-N 3.18Å; E379-S382 PolarHBondContact O-N 2.96Å; S382-F386 PolarHBondContact O-N 3.33Å; S382-F386 VanDerWaalsContact O-N 3.13Å
383	Y	96.6	Very high	94.4	Very high	27 Å²	27	38.3 Å²	38.3	11%	0.106	19%	0.188	C	C	.	.	H	α-helix	trans	-64.6	-45.8	174.2	173	-97.1	0	0	0	111.4	P352 V354 E379 V380 E381 Q385 F386 I387 N480 Y481	P352-Y383 HydrophobicContact CB-CE1 4.28Å; P352-Y383 HydrophobicContact CG-CE1 4.42Å; V354-Y383 HydrophobicContact CG2-CD1 3.31Å; V354-Y383 HydrophobicContact CG2-CE1 3.72Å; V354-Y383 HydrophobicContact CG2-CG 4.12Å; E379-Y383 PolarHBondContact O-N 2.68Å; V380-Y383 WeakPolarHBondContact O-CB 3.44Å; V380-Y383 PolarHBondContact O-N 2.63Å; E381-Y383 VanDerWaalsContact C-N 3.26Å; E381-Y383 PolarHBondContact O-N 3.12Å; Y383-Q385 VanDerWaalsContact C-N 3.34Å; Y383-Q385 PolarHBondContact O-N 3.17Å; Y383-F386 WeakPolarHBondContact O-CB 3.43Å; Y383-F386 PolarHBondContact O-N 3.45Å; Y383-F386 VanDerWaalsContact O-N 3.14Å; Y383-I387 HydrophobicContact CD1-CG1 4.09Å; Y383-I387 HydrophobicContact CE1-CD1 4.15Å; Y383-I387 HydrophobicContact CE1-CG1 3.62Å; Y383-I387 HydrophobicContact CE2-CD1 4.09Å; Y383-I387 HydrophobicContact CE2-CG1 4.25Å; Y383-I387 WeakPolarHBondContact O-CG1 3.34Å; Y383-I387 PolarHBondContact O-N 3.03Å; Y383-N480 WeakPolarHBondContact OH-CB 3.31Å; Y383-Y481 AromaticContact CD2-CD1 3.81Å; Y383-Y481 HydrophobicContact CD2-CD1 3.81Å; Y383-Y481 AromaticContact CD2-CD2 3.6Å; Y383-Y481 HydrophobicContact CD2-CD2 3.6Å; Y383-Y481 HydrophobicContact CD2-CE1 4.36Å; Y383-Y481 HydrophobicContact CD2-CE2 4.21Å; Y383-Y481 AromaticContact CD2-CG 3.39Å; Y383-Y481 HydrophobicContact CD2-CG 3.39Å; Y383-Y481 AromaticContact CE2-CD2 3.83Å; Y383-Y481 HydrophobicContact CE2-CD2 3.83Å; Y383-Y481 AromaticContact CE2-CG 3.78Å; Y383-Y481 HydrophobicContact CE2-CG 3.78Å; Y383-Y481 AromaticContact CG-CD1 3.88Å; Y383-Y481 HydrophobicContact CG-CD1 3.88Å; Y383-Y481 HydrophobicContact CG-CD2 4.47Å; Y383-Y481 AromaticContact CG-CG 3.84Å; Y383-Y481 HydrophobicContact CG-CG 3.84Å
384	F	97	Very high	93.9	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-66.7	-34.2	178.8	-78	-68.8	0	0	0	113.1	P352 V354 V380 E381 F386 I387 D388 V419 R421 Y443	P352-F384 HydrophobicContact CG-CE1 4.22Å; V354-F384 HydrophobicContact CB-CE2 4.47Å; V354-F384 HydrophobicContact CG2-CD2 4.3Å; V354-F384 HydrophobicContact CG2-CE2 3.66Å; V354-F384 HydrophobicContact CG2-CZ 3.86Å; V380-F384 HydrophobicContact CG1-CD2 3.83Å; V380-F384 HydrophobicContact CG1-CE2 3.7Å; V380-F384 VanDerWaalsContact O-CD2 3.27Å; V380-F384 WeakPolarHBondContact O-CD2 3.3Å; V380-F384 PolarHBondContact O-N 3.15Å; V380-F384 VanDerWaalsContact O-N 3.08Å; E381-F384 PolarHBondContact O-N 3.04Å; E381-F384 VanDerWaalsContact O-N 3.11Å; F384-F386 VanDerWaalsContact C-N 3.3Å; F384-F386 PolarHBondContact O-N 3.24Å; F384-I387 WeakPolarHBondContact O-CB 3.48Å; F384-I387 PolarHBondContact O-N 2.85Å; F384-I387 VanDerWaalsContact O-N 3.12Å; F384-D388 PolarHBondContact O-N 3.12Å; F384-V419 HydrophobicContact CD1-CG1 4.32Å; F384-V419 HydrophobicContact CE1-CG1 4.24Å; F384-R421 VanDerWaalsContact CB-NH1 3.33Å; F384-R421 VanDerWaalsContact CD1-CD 3.43Å; F384-R421 HydrophobicContact CD2-CB 4.45Å; F384-R421 HydrophobicContact CE2-CB 4.26Å; F384-R421 VanDerWaalsContact CG-CD 3.42Å; F384-R421 HydrophobicContact CZ-CB 4.38Å; F384-Y443 HydrophobicContact CD2-CE1 4Å; F384-Y443 HydrophobicContact CE2-CD1 4.44Å; F384-Y443 HydrophobicContact CE2-CE1 4.1Å
385	Q	95	Very high	93.2	Very high	90 Å²	90	34.2 Å²	34.2	42%	0.421	17%	0.172	S	C	.	.	H	α-helix	trans	-59.9	-41.3	170.2	-71.1	172.3	-4.7	0	0	111.9	E381 Y383 D388 A389	E381-Q385 HydrophobicContact CG-CG 4.42Å; E381-Q385 WeakPolarHBondContact O-CG 3.1Å; E381-Q385 PolarHBondContact O-N 3.47Å; E381-Q385 WeakPolarHBondContact OE1-CG 3.36Å; E381-Q385 PolarHBondContact OE1-NE2 3.06Å; Y383-Q385 VanDerWaalsContact C-N 3.34Å; Y383-Q385 PolarHBondContact O-N 3.17Å; Q385-D388 PolarHBondContact O-N 3.34Å; Q385-A389 WeakPolarHBondContact O-CB 3.46Å; Q385-A389 PolarHBondContact O-N 2.97Å
386	F	94.5	Very high	92.6	Very high	19 Å²	19	36.8 Å²	36.8	8%	0.083	18%	0.178	C	C	.	.	H	α-helix	trans	-62.1	-41.5	171.8	168.3	-103.9	0	0	0	112.3	L155 H158 V159 D162 S382 Y383 F384 K390	L155-F386 HydrophobicContact CD1-CB 3.93Å; L155-F386 HydrophobicContact CD1-CD2 4.29Å; H158-F386 HydrophobicContact CB-CE2 4.32Å; H158-F386 AromaticContact CD2-CE2 3.59Å; H158-F386 AromaticContact CG-CE2 3.74Å; H158-F386 AromaticContact ND1-CD2 3.93Å; H158-F386 AromaticContact NE2-CE2 3.88Å; V159-F386 HydrophobicContact CB-CE2 4.39Å; V159-F386 HydrophobicContact CG2-CD2 3.77Å; V159-F386 HydrophobicContact CG2-CE2 3.64Å; D162-F386 HydrophobicContact CB-CZ 4.18Å; S382-F386 PolarHBondContact O-N 3.33Å; S382-F386 VanDerWaalsContact O-N 3.13Å; Y383-F386 WeakPolarHBondContact O-CB 3.43Å; Y383-F386 PolarHBondContact O-N 3.45Å; Y383-F386 VanDerWaalsContact O-N 3.14Å; F384-F386 VanDerWaalsContact C-N 3.3Å; F384-F386 PolarHBondContact O-N 3.24Å; F386-K390 HydrophobicContact CE1-CD 4.21Å; F386-K390 HydrophobicContact CZ-CD 4.13Å; F386-K390 WeakPolarHBondContact O-CB 3.37Å; F386-K390 PolarHBondContact O-N 3.36Å
387	I	93.8	Very high	91.7	Very high	8 Å²	8	37.8 Å²	37.8	4%	0.041	18%	0.184	C	C	.	.	H	α-helix	trans	-63.4	-42.6	175.2	-64.2	-55.1	0	0	0	111.8	P352 Y383 F384 K390 R391 V419	P352-I387 HydrophobicContact CG-CG1 4.33Å; P352-I387 HydrophobicContact CG-CG2 4.28Å; Y383-I387 HydrophobicContact CD1-CG1 4.09Å; Y383-I387 HydrophobicContact CE1-CD1 4.15Å; Y383-I387 HydrophobicContact CE1-CG1 3.62Å; Y383-I387 HydrophobicContact CE2-CD1 4.09Å; Y383-I387 HydrophobicContact CE2-CG1 4.25Å; Y383-I387 WeakPolarHBondContact O-CG1 3.34Å; Y383-I387 PolarHBondContact O-N 3.03Å; F384-I387 WeakPolarHBondContact O-CB 3.48Å; F384-I387 PolarHBondContact O-N 2.85Å; F384-I387 VanDerWaalsContact O-N 3.12Å; I387-K390 VanDerWaalsContact CD1-NZ 3.32Å; I387-K390 PolarHBondContact O-N 2.9Å; I387-R391 HydrophobicContact CG2-CG 4.43Å; I387-R391 WeakPolarHBondContact O-CB 3.5Å; I387-R391 WeakPolarHBondContact O-CG 3.38Å; I387-R391 PolarHBondContact O-N 3.31Å; I387-V419 HydrophobicContact CG2-CG1 4.37Å; I387-V419 HydrophobicContact CG2-CG2 4.01Å
388	D	92.6	Very high	91	Very high	56 Å²	56	45.3 Å²	45.3	30%	0.299	22%	0.217	S	C	.	.	H	α-helix	trans	-64.6	-48	179.7	-70.8	-26	0	0	0	111	F384 Q385 K390 R391 Q392 R421	F384-D388 PolarHBondContact O-N 3.12Å; Q385-D388 PolarHBondContact O-N 3.34Å; D388-K390 VanDerWaalsContact C-N 3.34Å; D388-K390 PolarHBondContact O-N 3.31Å; D388-R391 PolarHBondContact O-N 3.17Å; D388-Q392 WeakPolarHBondContact O-CB 3.41Å; D388-Q392 PolarHBondContact O-N 3.42Å; D388-R421 IonicContact OD2-CZ 3.39Å; D388-R421 IonicContact OD2-NE 3.77Å; D388-R421 IonicContact OD2-NH2 2.76Å; D388-R421 PolarHBondContact OD2-NH2 2.97Å
389	A	92.4	Very high	90.5	Very high	7 Å²	7	45.8 Å²	45.8	6%	0.058	21%	0.214	C	C	.	.	H	α-helix	trans	-60.1	-43.8	174.7	0	0	0	0	0	111.8	L155 V159 Q385 R391 Q392 M393	L155-A389 HydrophobicContact CD2-CB 3.79Å; L155-A389 HydrophobicContact CG-CB 3.94Å; V159-A389 HydrophobicContact CG2-CB 4.2Å; Q385-A389 WeakPolarHBondContact O-CB 3.46Å; Q385-A389 PolarHBondContact O-N 2.97Å; A389-R391 PolarHBondContact O-N 3.16Å; A389-Q392 WeakPolarHBondContact O-CB 3.42Å; A389-Q392 PolarHBondContact O-N 3.31Å; A389-M393 WeakPolarHBondContact O-CG 3.48Å; A389-M393 PolarHBondContact O-N 3.11Å
390	K	91.4	Very high	90	Very high	38 Å²	38	45.4 Å²	45.4	17%	0.165	21%	0.211	C	C	.	.	H	α-helix	trans	-58.2	-49.4	176.1	-177.2	173.1	71.3	175.8	0	111.5	V159 F386 I387 D388 Q392 M393 M394	V159-K390 HydrophobicContact CG1-CB 4.19Å; V159-K390 HydrophobicContact CG1-CG 4.27Å; V159-K390 HydrophobicContact CG2-CB 4.04Å; F386-K390 HydrophobicContact CE1-CD 4.21Å; F386-K390 HydrophobicContact CZ-CD 4.13Å; F386-K390 WeakPolarHBondContact O-CB 3.37Å; F386-K390 PolarHBondContact O-N 3.36Å; I387-K390 VanDerWaalsContact CD1-NZ 3.32Å; I387-K390 PolarHBondContact O-N 2.9Å; D388-K390 VanDerWaalsContact C-N 3.34Å; D388-K390 PolarHBondContact O-N 3.31Å; K390-Q392 VanDerWaalsContact C-N 3.33Å; K390-Q392 PolarHBondContact O-N 2.95Å; K390-M393 PolarHBondContact O-N 3.14Å; K390-M394 HydrophobicContact CD-SD 4.22Å; K390-M394 HydrophobicContact CG-CG 4.27Å; K390-M394 HydrophobicContact CG-SD 3.53Å; K390-M394 VanDerWaalsContact CG-SD 3.53Å; K390-M394 VanDerWaalsContact O-CB 3.28Å; K390-M394 WeakPolarHBondContact O-CB 3.31Å; K390-M394 WeakPolarHBondContact O-CG 3.18Å; K390-M394 PolarHBondContact O-N 3.15Å
391	R	88.5	Confident	89.3	Confident	36 Å²	36	52.8 Å²	52.8	14%	0.136	24%	0.239	C	C	.	.	H	α-helix	trans	-62.5	-39.9	177.5	-73.7	175.3	75.7	117.5	-2.2	111.9	D350 I387 D388 A389 M394 S395 F408 L416	D350-R391 PolarHBondContact O-NH1 3.28Å; I387-R391 HydrophobicContact CG2-CG 4.43Å; I387-R391 WeakPolarHBondContact O-CB 3.5Å; I387-R391 WeakPolarHBondContact O-CG 3.38Å; I387-R391 PolarHBondContact O-N 3.31Å; D388-R391 PolarHBondContact O-N 3.17Å; A389-R391 PolarHBondContact O-N 3.16Å; R391-M394 PolarHBondContact O-N 3.27Å; R391-S395 PolarHBondContact O-N 2.65Å; R391-S395 VanDerWaalsContact O-N 3.16Å; R391-F408 VanDerWaalsContact O-CE2 3.24Å; R391-F408 WeakPolarHBondContact O-CE2 3.33Å; R391-L416 HydrophobicContact CB-CD1 4.06Å; R391-L416 HydrophobicContact CB-CD2 4.14Å
392	Q	86.7	Confident	88.7	Confident	123 Å²	123	55.9 Å²	55.9	58%	0.575	26%	0.257	S	S	*	.	H	α-helix	trans	-60.5	-48.4	175.6	-177.8	-178.5	-2.1	0	0	111.4	D388 A389 K390 S395	D388-Q392 WeakPolarHBondContact O-CB 3.41Å; D388-Q392 PolarHBondContact O-N 3.42Å; A389-Q392 WeakPolarHBondContact O-CB 3.42Å; A389-Q392 PolarHBondContact O-N 3.31Å; K390-Q392 VanDerWaalsContact C-N 3.33Å; K390-Q392 PolarHBondContact O-N 2.95Å; Q392-S395 WeakPolarHBondContact O-CB 3.38Å; Q392-S395 PolarHBondContact O-N 2.85Å; Q392-S395 PolarHBondContact O-OG 3.32Å
393	M	87.4	Confident	88.4	Confident	25 Å²	25	55 Å²	55	12%	0.123	25%	0.251	C	S	.	.	H	α-helix	trans	-67.2	-40.5	179	-67.7	-177.2	70.7	0	0	112.2	H156 V159 D160 A389 K390 S395 R396 W400	H156-M393 HydrophobicContact CB-SD 4.08Å; H156-M393 PolarHBondContact CD2-SD 2.69Å; V159-M393 HydrophobicContact CB-SD 3.7Å; V159-M393 HydrophobicContact CG1-CB 4.07Å; V159-M393 HydrophobicContact CG1-CE 4.26Å; V159-M393 HydrophobicContact CG1-CG 4.25Å; V159-M393 HydrophobicContact CG1-SD 3.41Å; V159-M393 WeakPolarHBondContact CG1-SD 3.25Å; V159-M393 HydrophobicContact CG2-SD 4.34Å; D160-M393 WeakPolarHBondContact OD1-CE 3.22Å; A389-M393 WeakPolarHBondContact O-CG 3.48Å; A389-M393 PolarHBondContact O-N 3.11Å; K390-M393 PolarHBondContact O-N 3.14Å; M393-S395 PolarHBondContact O-N 3.41Å; M393-R396 WeakPolarHBondContact O-CB 3.32Å; M393-R396 PolarHBondContact O-N 3.22Å; M393-W400 HydrophobicContact CB-CZ2 4.11Å; M393-W400 PolarHBondContact O-NE1 3.46Å
394	M	86.4	Confident	88	Confident	1 Å²	1	56.5 Å²	56.5	1%	0.005	26%	0.26	C	S	.	.	H	α-helix	trans	-64.5	-18.6	178	-70.6	178	75.9	0	0	114	R166 K390 R391 R396 W400 D403 S406 F408	R166-M394 PolarHBondContact NH2-SD 3.01Å; K390-M394 HydrophobicContact CD-SD 4.22Å; K390-M394 HydrophobicContact CG-CG 4.27Å; K390-M394 HydrophobicContact CG-SD 3.53Å; K390-M394 VanDerWaalsContact CG-SD 3.53Å; K390-M394 VanDerWaalsContact O-CB 3.28Å; K390-M394 WeakPolarHBondContact O-CB 3.31Å; K390-M394 WeakPolarHBondContact O-CG 3.18Å; K390-M394 PolarHBondContact O-N 3.15Å; R391-M394 PolarHBondContact O-N 3.27Å; M394-R396 PolarHBondContact O-N 3.35Å; M394-W400 HydrophobicContact CB-CD2 4.31Å; M394-W400 HydrophobicContact CB-CG 4.33Å; M394-W400 HydrophobicContact CE-CE3 4.17Å; M394-W400 HydrophobicContact CG-CD2 3.5Å; M394-W400 VanDerWaalsContact CG-CD2 3.5Å; M394-W400 HydrophobicContact CG-CE3 3.64Å; M394-W400 HydrophobicContact CG-CG 4Å; M394-W400 HydrophobicContact CG-CH2 4.06Å; M394-W400 HydrophobicContact CG-CZ2 3.94Å; M394-W400 HydrophobicContact CG-CZ3 3.9Å; M394-W400 HydrophobicContact SD-CE3 4.29Å; M394-W400 HydrophobicContact SD-CZ3 4.31Å; M394-D403 WeakPolarHBondContact CE-OD2 3.4Å; M394-S406 WeakPolarHBondContact CE-OG 3.24Å; M394-F408 HydrophobicContact CB-CD2 3.98Å; M394-F408 HydrophobicContact CB-CE2 3.97Å
395	S	82.6	Confident	87.5	Confident	29 Å²	29	60.2 Å²	60.2	20%	0.203	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-23.3	171.1	75.9	0	0	0	0	112.3	R391 Q392 M393 T397 Y413	R391-S395 PolarHBondContact O-N 2.65Å; R391-S395 VanDerWaalsContact O-N 3.16Å; Q392-S395 WeakPolarHBondContact O-CB 3.38Å; Q392-S395 PolarHBondContact O-N 2.85Å; Q392-S395 PolarHBondContact O-OG 3.32Å; M393-S395 PolarHBondContact O-N 3.41Å; S395-T397 PolarHBondContact O-N 2.92Å; S395-Y413 WeakPolarHBondContact O-CE1 3.46Å
396	R	81.9	Confident	86.9	Confident	131 Å²	131	56.4 Å²	56.4	49%	0.494	26%	0.26	S	S	.	.	S	Bend	trans	-79.7	67.2	171.4	-60	173.2	63.8	-172.7	0.3	110.5	M393 M394 K398 E399	M393-R396 WeakPolarHBondContact O-CB 3.32Å; M393-R396 PolarHBondContact O-N 3.22Å; M394-R396 PolarHBondContact O-N 3.35Å; R396-K398 PolarHBondContact O-N 3.42Å; R396-E399 VanDerWaalsContact CZ-CD 3.44Å; R396-E399 IonicContact CZ-OE1 2.97Å; R396-E399 IonicContact CZ-OE2 2.79Å; R396-E399 IonicContact NE-OE1 3.62Å; R396-E399 PolarHBondContact NE-OE1 3.47Å; R396-E399 VanDerWaalsContact NE-OE1 3.13Å; R396-E399 IonicContact NE-OE2 3.42Å; R396-E399 PolarHBondContact NE-OE2 3.1Å; R396-E399 VanDerWaalsContact NE-OE2 3.15Å; R396-E399 IonicContact NH1-OE2 2.86Å; R396-E399 PolarHBondContact NH1-OE2 3.39Å; R396-E399 VanDerWaalsContact NH2-CD 3.34Å; R396-E399 IonicContact NH2-OE1 2.95Å; R396-E399 PolarHBondContact NH2-OE1 3.24Å; R396-E399 IonicContact NH2-OE2 3.51Å; R396-E399 PolarHBondContact NH2-OE2 3.07Å; R396-E399 PolarHBondContact O-N 3.3Å
397	T	79.1	Confident	86.1	Confident	22 Å²	22	58 Å²	58	14%	0.135	27%	0.271	C	S	.	.	G	3₁₀ helix	trans	-50.5	-27.7	-168.7	59.7	0	0	0	0	115.7	S395 E399 W400 F408 N411	S395-T397 PolarHBondContact O-N 2.92Å; T397-E399 PolarHBondContact O-N 3.27Å; T397-W400 PolarHBondContact O-N 2.96Å; T397-W400 VanDerWaalsContact O-N 3.16Å; T397-F408 HydrophobicContact CG2-CB 4.01Å; T397-N411 PolarHBondContact OG1-OD1 3.02Å
398	K	83.8	Confident	85.1	Confident	160 Å²	160	59 Å²	59	70%	0.696	28%	0.276	S	S	*	.	G	3₁₀ helix	trans	-61.1	-28	178.9	-69.4	-175.5	179.5	178.8	0	114.2	R396 R401	R396-K398 PolarHBondContact O-N 3.42Å; K398-R401 WeakPolarHBondContact O-CG 3.19Å; K398-R401 PolarHBondContact O-NE 3.04Å
399	E	84.1	Confident	83.7	Confident	91 Å²	91	65.8 Å²	65.8	43%	0.425	30%	0.297	S	S	.	.	G	3₁₀ helix	trans	-89.7	-16.4	179.8	-73.6	146.6	-142.2	0	0	112.6	R396 T397	R396-E399 VanDerWaalsContact CZ-CD 3.44Å; R396-E399 IonicContact CZ-OE1 2.97Å; R396-E399 IonicContact CZ-OE2 2.79Å; R396-E399 IonicContact NE-OE1 3.62Å; R396-E399 PolarHBondContact NE-OE1 3.47Å; R396-E399 VanDerWaalsContact NE-OE1 3.13Å; R396-E399 IonicContact NE-OE2 3.42Å; R396-E399 PolarHBondContact NE-OE2 3.1Å; R396-E399 VanDerWaalsContact NE-OE2 3.15Å; R396-E399 IonicContact NH1-OE2 2.86Å; R396-E399 PolarHBondContact NH1-OE2 3.39Å; R396-E399 VanDerWaalsContact NH2-CD 3.34Å; R396-E399 IonicContact NH2-OE1 2.95Å; R396-E399 PolarHBondContact NH2-OE1 3.24Å; R396-E399 IonicContact NH2-OE2 3.51Å; R396-E399 PolarHBondContact NH2-OE2 3.07Å; R396-E399 PolarHBondContact O-N 3.3Å; T397-E399 PolarHBondContact O-N 3.27Å
400	W	86.5	Confident	81.8	Confident	13 Å²	13	72.4 Å²	72.4	5%	0.049	33%	0.327	C	S	.	.	S	Bend	trans	-116.1	40.1	-171.7	-63	86.5	0	0	0	112	V159 V167 M393 M394 T397	V159-W400 HydrophobicContact CG1-CH2 3.77Å; V159-W400 HydrophobicContact CG1-CZ2 3.87Å; V167-W400 HydrophobicContact CG1-CB 4.49Å; V167-W400 HydrophobicContact CG1-CD2 4.47Å; V167-W400 HydrophobicContact CG1-CE3 3.93Å; M393-W400 HydrophobicContact CB-CZ2 4.11Å; M393-W400 PolarHBondContact O-NE1 3.46Å; M394-W400 HydrophobicContact CB-CD2 4.31Å; M394-W400 HydrophobicContact CB-CG 4.33Å; M394-W400 HydrophobicContact CE-CE3 4.17Å; M394-W400 HydrophobicContact CG-CD2 3.5Å; M394-W400 VanDerWaalsContact CG-CD2 3.5Å; M394-W400 HydrophobicContact CG-CE3 3.64Å; M394-W400 HydrophobicContact CG-CG 4Å; M394-W400 HydrophobicContact CG-CH2 4.06Å; M394-W400 HydrophobicContact CG-CZ2 3.94Å; M394-W400 HydrophobicContact CG-CZ3 3.9Å; M394-W400 HydrophobicContact SD-CE3 4.29Å; M394-W400 HydrophobicContact SD-CZ3 4.31Å; T397-W400 PolarHBondContact O-N 2.96Å; T397-W400 VanDerWaalsContact O-N 3.16Å
401	R	83.2	Confident	79.7	Confident	155 Å²	155	76.7 Å²	76.7	59%	0.585	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.8	141.9	-176.6	-60.4	-179.3	-167.7	-177.9	0.9	110.3	V167 D168 K398 D403	V167-R401 CarbonylContact C-O 3.59Å; V167-R401 WeakPolarHBondContact CA-O 3.24Å; D168-R401 PolarHBondContact N-O 2.79Å; K398-R401 WeakPolarHBondContact O-CG 3.19Å; K398-R401 PolarHBondContact O-NE 3.04Å; R401-D403 PolarHBondContact O-N 2.88Å
402	N	85.3	Confident	77.9	Confident	117 Å²	117	78.5 Å²	78.5	63%	0.626	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.7	27.4	175.1	-56	-22.2	0	0	0	114.3	G169 I404	G169-N402 PolarHBondContact N-O 3.49Å; N402-I404 PolarHBondContact O-N 2.94Å
403	D	88.2	Confident	76.2	Confident	8 Å²	8	79.9 Å²	79.9	4%	0.043	37%	0.367	C	S	.	.			trans	-83.7	103.3	168.8	177.9	1.8	0	0	0	109.2	R166 V167 M394 R401 K405 S406	R166-D403 IonicContact CZ-OD2 2.87Å; R166-D403 VanDerWaalsContact CZ-OD2 3.22Å; R166-D403 VanDerWaalsContact NH1-CG 3.28Å; R166-D403 IonicContact NH1-OD1 3.27Å; R166-D403 PolarHBondContact NH1-OD1 3.12Å; R166-D403 VanDerWaalsContact NH1-OD1 3.13Å; R166-D403 IonicContact NH1-OD2 3.13Å; R166-D403 PolarHBondContact NH1-OD2 2.83Å; R166-D403 IonicContact NH2-OD2 3.8Å; V167-D403 HydrophobicContact CG1-CB 4.45Å; M394-D403 WeakPolarHBondContact CE-OD2 3.4Å; R401-D403 PolarHBondContact O-N 2.88Å; D403-K405 PolarHBondContact O-N 2.92Å; D403-K405 PolarHBondContact OD1-N 2.8Å; D403-S406 WeakPolarHBondContact O-CB 3.2Å; D403-S406 PolarHBondContact O-N 2.67Å
404	I	86.9	Confident	74.5	Confident	57 Å²	57	85.6 Å²	85.6	29%	0.292	39%	0.393	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-19.3	-178.5	58.5	160.4	0	0	0	114	L171 E172 I175 N402	L171-I404 HydrophobicContact CB-CG1 4.48Å; L171-I404 HydrophobicContact CD2-CD1 4.38Å; L171-I404 HydrophobicContact CD2-CG1 3.95Å; L171-I404 HydrophobicContact CG-CD1 4.23Å; L171-I404 HydrophobicContact CG-CG1 4.15Å; E172-I404 HydrophobicContact CB-CD1 3.75Å; E172-I404 HydrophobicContact CB-CG1 4.2Å; E172-I404 HydrophobicContact CB-CG2 3.89Å; E172-I404 HydrophobicContact CG-CD1 4.21Å; E172-I404 HydrophobicContact CG-CG2 4.25Å; I175-I404 HydrophobicContact CD1-CD1 3.96Å; N402-I404 PolarHBondContact O-N 2.94Å
405	K	86.8	Confident	73	Confident	78 Å²	78	94.6 Å²	94.6	34%	0.339	44%	0.435	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.8	5	174.9	-74.6	-168.2	179.9	-166.2	0	112.6	L171 D403 E504 L505	L171-K405 HydrophobicContact CD2-CB 4.01Å; L171-K405 HydrophobicContact CD2-CD 3.57Å; L171-K405 HydrophobicContact CD2-CG 3.54Å; D403-K405 PolarHBondContact O-N 2.92Å; D403-K405 PolarHBondContact OD1-N 2.8Å; K405-E504 WeakPolarHBondContact CE-O 3.35Å; K405-E504 PolarHBondContact NZ-O 2.78Å; K405-L505 VanDerWaalsContact NZ-C 3.3Å; K405-L505 PolarHBondContact NZ-O 2.83Å
406	S	83.6	Confident	72.1	Confident	11 Å²	11	96.3 Å²	96.3	8%	0.077	44%	0.442	C	S	.	.			trans	-71.8	126.9	173	-176.2	0	0	0	0	112.1	M394 D403 F408	M394-S406 WeakPolarHBondContact CE-OG 3.24Å; D403-S406 WeakPolarHBondContact O-CB 3.2Å; D403-S406 PolarHBondContact O-N 2.67Å; S406-F408 PolarHBondContact O-N 3.34Å; S406-F408 PolarHBondContact OG-N 3.45Å; S406-F408 VanDerWaalsContact OG-N 3.14Å
407	P	76.4	Confident	71.8	Confident	51 Å²	51	98.4 Å²	98.4	33%	0.331	45%	0.454	S	S	.	.	S	Bend	trans	-70.9	-13.3	170.7	30.6	-33	0	0	0	111.6	R409	P407-R409 PolarHBondContact O-N 3.41Å
408	F	73.8	Confident	71.9	Confident	30 Å²	30	103 Å²	103	13%	0.132	49%	0.485	C	S	.	.			trans	-101	64.4	-177.2	-52.3	-80.7	0	0	0	111.4	R391 M394 T397 S406 H410 L416	R391-F408 VanDerWaalsContact O-CE2 3.24Å; R391-F408 WeakPolarHBondContact O-CE2 3.33Å; M394-F408 HydrophobicContact CB-CD2 3.98Å; M394-F408 HydrophobicContact CB-CE2 3.97Å; T397-F408 HydrophobicContact CG2-CB 4.01Å; S406-F408 PolarHBondContact O-N 3.34Å; S406-F408 PolarHBondContact OG-N 3.45Å; S406-F408 VanDerWaalsContact OG-N 3.14Å; F408-H410 PolarHBondContact O-N 3Å; F408-L416 HydrophobicContact CE1-CD2 3.75Å; F408-L416 HydrophobicContact CE1-CG 4.25Å; F408-L416 HydrophobicContact CE2-CD2 4.18Å; F408-L416 HydrophobicContact CZ-CD1 4.1Å; F408-L416 HydrophobicContact CZ-CD2 3.22Å; F408-L416 HydrophobicContact CZ-CG 3.77Å
409	R	62.9	Low	72.2	Confident	199 Å²	199	95.8 Å²	95.8	75%	0.751	45%	0.454	S	S	*	.			trans	-65.4	-17.7	177.5	-68.3	-173	178.1	-170.3	-2.5	113.7	P407	P407-R409 PolarHBondContact O-N 3.41Å
410	H	52.6	Low	72.7	Confident	146 Å²	146	97.9 Å²	97.9	68%	0.676	46%	0.462	S	S	*	.	S	Bend	trans	-128	145.1	-178.2	-59.7	87.6	0	0	0	109.4	F408 V412	F408-H410 PolarHBondContact O-N 3Å; H410-V412 HydrophobicContact CB-CG2 4.46Å; H410-V412 PolarHBondContact O-N 3.48Å
411	N	47.4	Very low	73.1	Confident	128 Å²	128	99.4 Å²	99.4	68%	0.684	47%	0.467	S	S	*	.	S	Bend	trans	-63.3	35.4	-175.2	-77.4	-34.7	0	0	0	115.6	T397	T397-N411 PolarHBondContact OG1-OD1 3.02Å
412	V	50.6	Low	73.8	Confident	74 Å²	74	93 Å²	93	45%	0.448	44%	0.443	S	S	.	.			trans	-109.7	105.9	-176.1	-162.8	0	0	0	0	109.2	H410 H414	H410-V412 HydrophobicContact CB-CG2 4.46Å; H410-V412 PolarHBondContact O-N 3.48Å; V412-H414 WeakPolarHBondContact CG1-CD2 3.36Å; V412-H414 WeakPolarHBondContact CG1-NE2 3.45Å; V412-H414 PolarHBondContact O-N 3.37Å
413	Y	50.1	Low	74.5	Confident	151 Å²	151	87.4 Å²	87.4	59%	0.592	41%	0.413	S	S	*	.			trans	-67.9	63	170	-63.7	-92	0	0	0	110.2	S395	S395-Y413 WeakPolarHBondContact O-CE1 3.46Å
414	H	51.6	Low	75	Confident	145 Å²	145	87.4 Å²	87.4	67%	0.671	41%	0.413	S	S	*	.			trans	-72.2	142.5	168.1	-75	-48.4	0	0	0	109.3	V412 L416	V412-H414 WeakPolarHBondContact CG1-CD2 3.36Å; V412-H414 WeakPolarHBondContact CG1-NE2 3.45Å; V412-H414 PolarHBondContact O-N 3.37Å; H414-L416 PolarHBondContact O-N 3.4Å
415	Q	55.7	Low	75.5	Confident	190 Å²	190	84.7 Å²	84.7	89%	0.888	40%	0.399	S	S	*	.			trans	-43.9	118.3	170.2	-72.3	175.5	-17.1	0	0	109.1	K417	Q415-K417 PolarHBondContact O-N 3.3Å
416	L	63.6	Low	75.9	Confident	65 Å²	65	81 Å²	81	34%	0.34	38%	0.383	S	S	.	.			trans	-58	110.3	178.3	-89.6	170.9	0	0	0	108.7	R391 F408 H414	R391-L416 HydrophobicContact CB-CD1 4.06Å; R391-L416 HydrophobicContact CB-CD2 4.14Å; F408-L416 HydrophobicContact CE1-CD2 3.75Å; F408-L416 HydrophobicContact CE1-CG 4.25Å; F408-L416 HydrophobicContact CE2-CD2 4.18Å; F408-L416 HydrophobicContact CZ-CD1 4.1Å; F408-L416 HydrophobicContact CZ-CD2 3.22Å; F408-L416 HydrophobicContact CZ-CG 3.77Å; H414-L416 PolarHBondContact O-N 3.4Å
417	K	75.1	Confident	76.4	Confident	175 Å²	175	80.8 Å²	80.8	76%	0.761	38%	0.382	S	S	*	.	P	Polyproline II helix	trans	-57.1	130.3	165.7	-72.1	-174.4	-179.8	178.6	0	107.5	Q415 V419	Q415-K417 PolarHBondContact O-N 3.3Å; K417-V419 PolarHBondContact O-N 2.95Å
418	P	82.6	Confident	76.9	Confident	119 Å²	119	79 Å²	79	77%	0.773	37%	0.369	S	S	*	.	P	Polyproline II helix	trans	-53.5	137.2	175.8	-26.8	34.5	0	0	0	110.7	K420	P418-K420 PolarHBondContact O-N 3.23Å
419	V	89.4	Confident	77.7	Confident	9 Å²	9	78.9 Å²	78.9	6%	0.055	37%	0.37	C	S	.	.	P	Polyproline II helix	trans	-67.6	129.9	176.4	179.6	0	0	0	0	108.9	P352 F384 I387 K417 R421	P352-V419 HydrophobicContact CG-CG1 4.08Å; F384-V419 HydrophobicContact CD1-CG1 4.32Å; F384-V419 HydrophobicContact CE1-CG1 4.24Å; I387-V419 HydrophobicContact CG2-CG1 4.37Å; I387-V419 HydrophobicContact CG2-CG2 4.01Å; K417-V419 PolarHBondContact O-N 2.95Å; V419-R421 PolarHBondContact O-N 3.18Å
420	K	93.6	Very high	78.9	Confident	134 Å²	134	70.4 Å²	70.4	58%	0.583	34%	0.34	S	S	*	.	P	Polyproline II helix	trans	-63.9	125.9	172.8	-67	-178.1	179.4	-177.6	0	109.3	N351 P418 R422	N351-K420 HydrophobicContact CB-CB 4.37Å; N351-K420 WeakPolarHBondContact OD1-CB 3Å; N351-K420 WeakPolarHBondContact OD1-CG 3.49Å; N351-K420 PolarHBondContact OD1-N 3.16Å; P418-K420 PolarHBondContact O-N 3.23Å; K420-R422 HydrophobicContact CB-CG 3.93Å; K420-R422 PolarHBondContact O-N 3.26Å; K420-R422 VanDerWaalsContact O-N 3.14Å
421	R	96.7	Very high	80.8	Confident	45 Å²	45	67.8 Å²	67.8	17%	0.17	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	89.5	179.8	-52.1	-55.2	-163.5	81.9	-8.9	109.5	E381 F384 D388 V419 Y443 T444	E381-R421 IonicContact OE1-NH1 3.3Å; E381-R421 IonicContact OE1-NH2 3.03Å; E381-R421 IonicContact OE2-CZ 3.95Å; E381-R421 IonicContact OE2-NH1 2.83Å; E381-R421 PolarHBondContact OE2-NH1 3.16Å; E381-R421 IonicContact OE2-NH2 3.8Å; F384-R421 VanDerWaalsContact CB-NH1 3.33Å; F384-R421 VanDerWaalsContact CD1-CD 3.43Å; F384-R421 HydrophobicContact CD2-CB 4.45Å; F384-R421 HydrophobicContact CE2-CB 4.26Å; F384-R421 VanDerWaalsContact CG-CD 3.42Å; F384-R421 HydrophobicContact CZ-CB 4.38Å; D388-R421 IonicContact OD2-CZ 3.39Å; D388-R421 IonicContact OD2-NE 3.77Å; D388-R421 IonicContact OD2-NH2 2.76Å; D388-R421 PolarHBondContact OD2-NH2 2.97Å; V419-R421 PolarHBondContact O-N 3.18Å; R421-Y443 HydrophobicContact CB-CD1 3.38Å; R421-Y443 HydrophobicContact CB-CE1 3.63Å; R421-Y443 HydrophobicContact CB-CG 3.89Å; R421-Y443 HydrophobicContact CG-CD1 4.46Å; R421-Y443 HydrophobicContact CG-CE1 4.31Å; R421-Y443 CarbonylContact O-C 3.59Å; R421-Y443 VanDerWaalsContact O-CA 3.25Å; R421-Y443 WeakPolarHBondContact O-CA 3.47Å; R421-T444 PolarHBondContact O-N 2.86Å
422	R	98	Very high	83	Confident	20 Å²	20	61.7 Å²	61.7	8%	0.075	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	130.9	-171.4	-61.7	173.7	77.4	-160.7	4.5	111	I344 N351 I353 V354 K420 T444 Y446	I344-R422 VanDerWaalsContact O-CZ 3.26Å; I344-R422 PolarHBondContact O-NH1 3.29Å; I344-R422 VanDerWaalsContact O-NH1 3.15Å; I344-R422 PolarHBondContact O-NH2 2.9Å; N351-R422 PolarHBondContact O-NH1 3.07Å; I353-R422 WeakPolarHBondContact CA-O 3.35Å; I353-R422 HydrophobicContact CB-CB 4.48Å; I353-R422 HydrophobicContact CG1-CB 3.99Å; V354-R422 PolarHBondContact N-O 3.01Å; K420-R422 HydrophobicContact CB-CG 3.93Å; K420-R422 PolarHBondContact O-N 3.26Å; K420-R422 VanDerWaalsContact O-N 3.14Å; R422-T444 WeakPolarHBondContact CA-O 3.22Å; R422-Y446 HydrophobicContact CB-CE2 3.93Å; R422-Y446 HydrophobicContact CG-CE2 4.08Å; R422-Y446 PolarHBondContact NE-OH 3.21Å; R422-Y446 VanDerWaalsContact NE-OH 3.12Å; R422-Y446 PolarHBondContact NH2-OH 3.19Å; R422-Y446 VanDerWaalsContact NH2-OH 3.17Å
423	V	98.5	Very high	85.1	Confident	0 Å²	0	58.9 Å²	58.9	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	129.1	-178	-175	0	0	0	0	109.8	V354 I356 M377 V380 I425 Y443 T444 F445 Y446	V354-V423 CarbonylContact O-C 3.57Å; V354-V423 VanDerWaalsContact O-CA 3.24Å; V354-V423 WeakPolarHBondContact O-CA 3.18Å; I356-V423 HydrophobicContact CD1-CG1 4.03Å; I356-V423 HydrophobicContact CG1-CG1 3.96Å; I356-V423 HydrophobicContact CG2-CG1 3.95Å; M377-V423 HydrophobicContact CE-CG2 4.46Å; V380-V423 HydrophobicContact CG1-CG2 3.78Å; V423-I425 HydrophobicContact CG1-CG1 4.26Å; V423-Y443 HydrophobicContact CG2-CD1 3.79Å; V423-T444 PolarHBondContact N-O 3.09Å; V423-F445 HydrophobicContact CB-CD1 3.66Å; V423-F445 HydrophobicContact CB-CE1 3.79Å; V423-F445 HydrophobicContact CG1-CD1 4.04Å; V423-F445 HydrophobicContact CG1-CE1 4.06Å; V423-F445 HydrophobicContact CG2-CD1 4.31Å; V423-F445 HydrophobicContact CG2-CE1 3.97Å; V423-F445 CarbonylContact O-C 3.58Å; V423-F445 WeakPolarHBondContact O-CA 3.4Å; V423-Y446 PolarHBondContact O-N 2.89Å
424	Y	98.3	Very high	87.2	Confident	8 Å²	8	55.2 Å²	55.2	3%	0.031	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	126.1	167.8	-175.4	-90.3	0	0	0	109.2	I344 V354 G355 I356 A426 R451 D472 A475 L476	I344-Y424 HydrophobicContact CD1-CD2 3.38Å; I344-Y424 HydrophobicContact CD1-CE2 3.81Å; I344-Y424 HydrophobicContact CD1-CG 4.42Å; V354-Y424 PolarHBondContact O-N 3.01Å; G355-Y424 CarbonylContact C-O 3.59Å; I356-Y424 PolarHBondContact N-O 2.82Å; Y424-A426 HydrophobicContact CE1-CB 4.3Å; Y424-R451 PolarHBondContact OH-NH1 2.97Å; Y424-R451 PolarHBondContact OH-NH2 3.43Å; Y424-D472 PolarHBondContact OH-OD1 3.37Å; Y424-A475 HydrophobicContact CD1-CB 4.26Å; Y424-A475 HydrophobicContact CD2-CB 4.42Å; Y424-A475 HydrophobicContact CE1-CB 3.6Å; Y424-A475 HydrophobicContact CE2-CB 3.77Å; Y424-A475 VanDerWaalsContact OH-CB 3.24Å; Y424-A475 WeakPolarHBondContact OH-CB 3.49Å; Y424-L476 HydrophobicContact CD1-CD2 4Å; Y424-L476 HydrophobicContact CD1-CG 4.41Å; Y424-L476 HydrophobicContact CE1-CD2 4.5Å; Y424-L476 HydrophobicContact CE1-CG 4.47Å
425	I	98	Very high	89.4	Confident	1 Å²	1	50.7 Å²	50.7	1%	0.005	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	118.3	178.8	-51.1	-172.9	0	0	0	109.1	I356 V423 T427 I432 F433 A436 F445 Y446	I356-I425 HydrophobicContact CD1-CD1 4.19Å; I356-I425 HydrophobicContact CD1-CG1 3.86Å; I356-I425 HydrophobicContact CD1-CG2 4.36Å; I356-I425 HydrophobicContact CG1-CB 4.18Å; I356-I425 HydrophobicContact CG1-CG1 3.87Å; I356-I425 HydrophobicContact CG1-CG2 4.16Å; V423-I425 HydrophobicContact CG1-CG1 4.26Å; I425-T427 HydrophobicContact CG2-CG2 3.81Å; I425-I432 HydrophobicContact CD1-CG2 4.27Å; I425-I432 HydrophobicContact CG2-CG2 3.99Å; I425-F433 HydrophobicContact CB-CE1 3.81Å; I425-F433 HydrophobicContact CB-CZ 4.13Å; I425-F433 HydrophobicContact CD1-CD1 4.22Å; I425-F433 HydrophobicContact CD1-CE1 4.34Å; I425-F433 HydrophobicContact CG1-CE1 4.41Å; I425-F433 HydrophobicContact CG2-CE1 4.35Å; I425-F433 HydrophobicContact CG2-CZ 4.31Å; I425-A436 HydrophobicContact CD1-CB 3.89Å; I425-F445 HydrophobicContact CD1-CB 4.26Å; I425-F445 HydrophobicContact CD1-CD1 3.55Å; I425-F445 HydrophobicContact CD1-CE1 4.22Å; I425-F445 HydrophobicContact CD1-CG 4.13Å; I425-F445 HydrophobicContact CG1-CD1 3.97Å; I425-Y446 PolarHBondContact N-O 2.99Å
426	A	96.1	Very high	91.4	Very high	1 Å²	1	41.6 Å²	41.6	1%	0.008	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	127.6	158.7	0	0	0	0	0	108.1	I356 H357 V358 Y424 D472 L476	I356-A426 PolarHBondContact O-N 3.17Å; H357-A426 CarbonylContact C-O 3.58Å; H357-A426 WeakPolarHBondContact CA-O 3.3Å; V358-A426 PolarHBondContact N-O 3.32Å; Y424-A426 HydrophobicContact CE1-CB 4.3Å; A426-D472 HydrophobicContact CB-CB 3.82Å; A426-L476 HydrophobicContact CB-CD1 3.76Å; A426-L476 HydrophobicContact CB-CD2 4.17Å; A426-L476 HydrophobicContact CB-CG 4.09Å
427	T	93.3	Very high	92.9	Very high	6 Å²	6	44.5 Å²	44.5	4%	0.037	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.7	151	-174.1	179.1	0	0	0	0	110.6	V358 I425 D429 I432 F433 A452	V358-T427 WeakPolarHBondContact O-CA 3.48Å; V358-T427 PolarHBondContact O-OG1 2.69Å; I425-T427 HydrophobicContact CG2-CG2 3.81Å; T427-D429 VanDerWaalsContact C-N 3.34Å; T427-D429 WeakPolarHBondContact CG2-O 3.38Å; T427-D429 PolarHBondContact OG1-N 2.96Å; T427-D429 PolarHBondContact OG1-O 3.43Å; T427-D429 VanDerWaalsContact OG1-O 3.07Å; T427-I432 HydrophobicContact CG2-CB 4.3Å; T427-F433 HydrophobicContact CG2-CD2 4.41Å; T427-F433 HydrophobicContact CG2-CE2 3.74Å; T427-F433 HydrophobicContact CG2-CZ 4.23Å; T427-A452 HydrophobicContact CG2-CB 3.84Å; T427-A452 VanDerWaalsContact O-CA 3.27Å; T427-A452 WeakPolarHBondContact O-CA 3.27Å; T427-A452 VanDerWaalsContact O-CB 3.32Å; T427-A452 WeakPolarHBondContact O-CB 3.4Å
428	D	87.4	Confident	94	Very high	12 Å²	12	40.7 Å²	40.7	6%	0.064	21%	0.213	C	C	.	.	S	Bend	trans	-93.4	6.4	168.8	67.6	-27.5	0	0	0	112.9	R360 T361 D362 A455	R360-D428 PolarHBondContact N-OD1 3.22Å; T361-D428 WeakPolarHBondContact CA-OD2 3.26Å; T361-D428 WeakPolarHBondContact CB-OD2 3.39Å; T361-D428 PolarHBondContact N-OD1 3.33Å; T361-D428 PolarHBondContact N-OD2 2.9Å; T361-D428 PolarHBondContact OG1-OD2 3.4Å; D362-D428 PolarHBondContact N-OD2 2.85Å; D428-A455 HydrophobicContact CB-CB 4.26Å
429	D	89.5	Confident	94.8	Very high	29 Å²	29	40.4 Å²	40.4	16%	0.155	20%	0.2	C	C	.	.			trans	-128.7	113.7	175.4	176.9	7	0	0	0	111.3	R360 T427 N431 I432	R360-D429 HydrophobicContact CB-CB 3.47Å; R360-D429 VanDerWaalsContact CB-CB 3.47Å; R360-D429 HydrophobicContact CG-CB 3.71Å; T427-D429 VanDerWaalsContact C-N 3.34Å; T427-D429 WeakPolarHBondContact CG2-O 3.38Å; T427-D429 PolarHBondContact OG1-N 2.96Å; T427-D429 PolarHBondContact OG1-O 3.43Å; T427-D429 VanDerWaalsContact OG1-O 3.07Å; D429-N431 PolarHBondContact O-N 2.82Å; D429-N431 VanDerWaalsContact OD1-CB 3.29Å; D429-N431 WeakPolarHBondContact OD1-CB 3.36Å; D429-N431 PolarHBondContact OD1-N 2.97Å; D429-N431 PolarHBondContact OD1-ND2 3.18Å; D429-I432 HydrophobicContact CB-CG1 4.1Å; D429-I432 WeakPolarHBondContact O-CB 3.41Å; D429-I432 WeakPolarHBondContact O-CG1 3.43Å; D429-I432 PolarHBondContact O-N 3.39Å
430	P	88.7	Confident	95.2	Very high	20 Å²	20	42.1 Å²	42.1	13%	0.13	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-23.5	-179.9	32.7	-43.6	0	0	0	113.6	I432 F433 R449 A452 D453	P430-I432 PolarHBondContact O-N 2.8Å; P430-F433 WeakPolarHBondContact O-CD2 3.06Å; P430-F433 PolarHBondContact O-N 3.15Å; P430-R449 HydrophobicContact CB-CG 3.63Å; P430-R449 PolarHBondContact O-NH1 3.03Å; P430-A452 HydrophobicContact CB-CB 4.3Å; P430-D453 VanDerWaalsContact CB-OD1 3.26Å; P430-D453 WeakPolarHBondContact CB-OD1 3.42Å; P430-D453 WeakPolarHBondContact CG-OD1 3.44Å
431	N	92.2	Very high	95.4	Very high	92 Å²	92	40.5 Å²	40.5	49%	0.492	21%	0.209	S	C	.	.	H	α-helix	trans	-68.7	-18.6	-177.2	-59.4	-57.4	0	0	0	111.9	D429 F433 D434 E435	D429-N431 PolarHBondContact O-N 2.82Å; D429-N431 VanDerWaalsContact OD1-CB 3.29Å; D429-N431 WeakPolarHBondContact OD1-CB 3.36Å; D429-N431 PolarHBondContact OD1-N 2.97Å; D429-N431 PolarHBondContact OD1-ND2 3.18Å; N431-F433 PolarHBondContact O-N 3.4Å; N431-D434 PolarHBondContact O-N 2.93Å; N431-E435 PolarHBondContact O-N 2.74Å
432	I	93.5	Very high	95.3	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-59.4	-32.2	175.3	-63.2	-62.8	0	0	0	111.8	V358 R360 L373 I425 T427 D429 P430 D434 A436	V358-I432 HydrophobicContact CG1-CD1 4.22Å; V358-I432 HydrophobicContact CG1-CG1 4.33Å; V358-I432 HydrophobicContact CG2-CG2 4.4Å; R360-I432 HydrophobicContact CG-CD1 3.83Å; R360-I432 HydrophobicContact CG-CG1 4Å; L373-I432 HydrophobicContact CD1-CG2 4.16Å; I425-I432 HydrophobicContact CD1-CG2 4.27Å; I425-I432 HydrophobicContact CG2-CG2 3.99Å; T427-I432 HydrophobicContact CG2-CB 4.3Å; D429-I432 HydrophobicContact CB-CG1 4.1Å; D429-I432 WeakPolarHBondContact O-CB 3.41Å; D429-I432 WeakPolarHBondContact O-CG1 3.43Å; D429-I432 PolarHBondContact O-N 3.39Å; P430-I432 PolarHBondContact O-N 2.8Å; I432-D434 VanDerWaalsContact C-N 3.33Å; I432-D434 PolarHBondContact O-N 3.31Å; I432-A436 WeakPolarHBondContact O-CB 3.47Å; I432-A436 PolarHBondContact O-N 3.39Å
433	F	95.1	Very high	95.3	Very high	14 Å²	14	45.8 Å²	45.8	6%	0.061	24%	0.24	C	C	.	.	H	α-helix	trans	-66	-36.4	176.2	-69.1	-77.3	0	0	0	112.5	I425 T427 P430 N431 K437 R449 A452	I425-F433 HydrophobicContact CB-CE1 3.81Å; I425-F433 HydrophobicContact CB-CZ 4.13Å; I425-F433 HydrophobicContact CD1-CD1 4.22Å; I425-F433 HydrophobicContact CD1-CE1 4.34Å; I425-F433 HydrophobicContact CG1-CE1 4.41Å; I425-F433 HydrophobicContact CG2-CE1 4.35Å; I425-F433 HydrophobicContact CG2-CZ 4.31Å; T427-F433 HydrophobicContact CG2-CD2 4.41Å; T427-F433 HydrophobicContact CG2-CE2 3.74Å; T427-F433 HydrophobicContact CG2-CZ 4.23Å; P430-F433 WeakPolarHBondContact O-CD2 3.06Å; P430-F433 PolarHBondContact O-N 3.15Å; N431-F433 PolarHBondContact O-N 3.4Å; F433-K437 WeakPolarHBondContact O-CB 3.47Å; F433-K437 VanDerWaalsContact O-CG 3.25Å; F433-K437 WeakPolarHBondContact O-CG 3.31Å; F433-K437 PolarHBondContact O-N 3.33Å; F433-K437 VanDerWaalsContact O-N 3.16Å; F433-R449 HydrophobicContact CD2-CB 4.37Å; F433-R449 HydrophobicContact CD2-CG 4.38Å; F433-R449 HydrophobicContact CE2-CB 4.49Å; F433-A452 HydrophobicContact CE2-CB 4.1Å
434	D	95.2	Very high	95.2	Very high	74 Å²	74	49 Å²	49	40%	0.396	26%	0.259	S	S	.	.	H	α-helix	trans	-76	-43.2	179.4	-57.5	-35.6	0	0	0	110.4	N431 I432 A436 K437 S438 R449	N431-D434 PolarHBondContact O-N 2.93Å; I432-D434 VanDerWaalsContact C-N 3.33Å; I432-D434 PolarHBondContact O-N 3.31Å; D434-A436 VanDerWaalsContact C-N 3.34Å; D434-A436 PolarHBondContact O-N 3.25Å; D434-K437 PolarHBondContact O-N 3.5Å; D434-S438 VanDerWaalsContact O-CB 3.29Å; D434-S438 WeakPolarHBondContact O-CB 3.41Å; D434-S438 PolarHBondContact O-N 3.4Å; D434-R449 IonicContact OD1-NH1 3.64Å; D434-R449 PolarHBondContact OD1-NH1 3.08Å; D434-R449 IonicContact OD2-CZ 2.64Å; D434-R449 VanDerWaalsContact OD2-CZ 3.3Å; D434-R449 IonicContact OD2-NH1 3.86Å; D434-R449 PolarHBondContact OD2-NH1 3.32Å; D434-R449 IonicContact OD2-NH2 3.13Å; D434-R449 PolarHBondContact OD2-NH2 3.27Å
435	E	96.1	Very high	95.2	Very high	50 Å²	50	49.8 Å²	49.8	23%	0.234	26%	0.263	C	S	.	.	H	α-helix	trans	-57.1	-47.4	173.2	-170.4	-173.5	175.3	0	0	111.1	R360 L373 N431 S438 K439	R360-E435 IonicContact NH2-OE2 2.76Å; L373-E435 HydrophobicContact CD2-CB 4.06Å; L373-E435 HydrophobicContact CD2-CG 3.8Å; N431-E435 PolarHBondContact O-N 2.74Å; E435-S438 PolarHBondContact O-N 2.91Å; E435-K439 HydrophobicContact CG-CD 3.93Å; E435-K439 HydrophobicContact CG-CG 4.48Å; E435-K439 WeakPolarHBondContact O-CB 3.32Å; E435-K439 PolarHBondContact O-N 3.42Å; E435-K439 IonicContact OE1-NZ 2.73Å; E435-K439 PolarHBondContact OE1-NZ 3Å
436	A	97.5	Very high	95.1	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-62.5	-49.8	-178.7	0	0	0	0	0	112.2	L373 I425 I432 D434 S438 Y440 F445	L373-A436 HydrophobicContact CD2-CB 3.84Å; I425-A436 HydrophobicContact CD1-CB 3.89Å; I432-A436 WeakPolarHBondContact O-CB 3.47Å; I432-A436 PolarHBondContact O-N 3.39Å; D434-A436 VanDerWaalsContact C-N 3.34Å; D434-A436 PolarHBondContact O-N 3.25Å; A436-S438 VanDerWaalsContact C-N 3.3Å; A436-S438 PolarHBondContact O-N 3.14Å; A436-Y440 WeakPolarHBondContact O-CB 3.4Å; A436-Y440 PolarHBondContact O-N 2.9Å; A436-F445 VanDerWaalsContact C-CE2 3.47Å; A436-F445 HydrophobicContact CB-CD1 3.99Å; A436-F445 HydrophobicContact CB-CD2 3.94Å; A436-F445 HydrophobicContact CB-CE1 3.83Å; A436-F445 HydrophobicContact CB-CE2 3.77Å; A436-F445 HydrophobicContact CB-CG 4.05Å; A436-F445 HydrophobicContact CB-CZ 3.72Å; A436-F445 VanDerWaalsContact O-CE2 3.25Å; A436-F445 WeakPolarHBondContact O-CE2 3.22Å
437	K	97.1	Very high	95	Very high	126 Å²	126	54.4 Å²	54.4	55%	0.548	29%	0.292	S	S	.	.	H	α-helix	trans	-62.5	-37.8	178.5	-72.9	171.9	-175.3	174.9	0	112.3	F433 D434 F445	F433-K437 WeakPolarHBondContact O-CB 3.47Å; F433-K437 VanDerWaalsContact O-CG 3.25Å; F433-K437 WeakPolarHBondContact O-CG 3.31Å; F433-K437 PolarHBondContact O-N 3.33Å; F433-K437 VanDerWaalsContact O-N 3.16Å; D434-K437 PolarHBondContact O-N 3.5Å; K437-F445 HydrophobicContact CG-CD2 4.23Å
438	S	97.9	Very high	94.8	Very high	95 Å²	95	57.4 Å²	57.4	66%	0.664	31%	0.308	S	S	*	.	H	α-helix	trans	-71.7	-47.1	-179.8	179.5	0	0	0	0	112.4	D434 E435 A436	D434-S438 VanDerWaalsContact O-CB 3.29Å; D434-S438 WeakPolarHBondContact O-CB 3.41Å; D434-S438 PolarHBondContact O-N 3.4Å; E435-S438 PolarHBondContact O-N 2.91Å; A436-S438 VanDerWaalsContact C-N 3.3Å; A436-S438 PolarHBondContact O-N 3.14Å
439	K	98.2	Very high	94.7	Very high	113 Å²	113	61.5 Å²	61.5	49%	0.491	32%	0.322	S	S	.	.	H	α-helix	trans	-81	-26.8	-175.4	-69.9	-175	177.8	175.7	0	113.9	E435 P441	E435-K439 HydrophobicContact CG-CD 3.93Å; E435-K439 HydrophobicContact CG-CG 4.48Å; E435-K439 WeakPolarHBondContact O-CB 3.32Å; E435-K439 PolarHBondContact O-N 3.42Å; E435-K439 IonicContact OE1-NZ 2.73Å; E435-K439 PolarHBondContact OE1-NZ 3Å; K439-P441 VanDerWaalsContact C-CD 3.46Å; K439-P441 WeakPolarHBondContact O-CD 3.41Å
440	Y	98.1	Very high	94.4	Very high	44 Å²	44	62.1 Å²	62.1	17%	0.173	34%	0.335	C	S	.	.			trans	-128.3	62.1	-171.8	-55.4	-80.2	0	0	0	112.4	L373 E374 M377 A436 N442 Y443 F445	L373-Y440 HydrophobicContact CD2-CD2 4.49Å; L373-Y440 HydrophobicContact CD2-CE2 4.09Å; L373-Y440 HydrophobicContact CG-CE2 4.19Å; E374-Y440 VanDerWaalsContact CA-OH 3.3Å; E374-Y440 WeakPolarHBondContact CA-OH 3Å; M377-Y440 HydrophobicContact CB-CD1 4.3Å; M377-Y440 HydrophobicContact CB-CE1 3.68Å; M377-Y440 HydrophobicContact CB-CE2 4Å; M377-Y440 HydrophobicContact CE-CD1 3.99Å; M377-Y440 HydrophobicContact CE-CD2 4.31Å; M377-Y440 HydrophobicContact CE-CE1 4.47Å; M377-Y440 HydrophobicContact CE-CG 3.91Å; M377-Y440 HydrophobicContact CG-CD1 4.39Å; M377-Y440 HydrophobicContact CG-CD2 3.91Å; M377-Y440 HydrophobicContact CG-CE1 4.07Å; M377-Y440 HydrophobicContact CG-CE2 3.56Å; M377-Y440 HydrophobicContact CG-CG 4.33Å; A436-Y440 WeakPolarHBondContact O-CB 3.4Å; A436-Y440 PolarHBondContact O-N 2.9Å; Y440-N442 PolarHBondContact O-N 3.48Å; Y440-N442 VanDerWaalsContact O-N 3.09Å; Y440-Y443 HydrophobicContact CD1-CE2 4.39Å; Y440-Y443 PolarHBondContact O-N 3.13Å; Y440-F445 HydrophobicContact CD2-CZ 4.41Å; Y440-F445 HydrophobicContact CG-CZ 4.41Å
441	P	97.1	Very high	94.1	Very high	100 Å²	100	62.6 Å²	62.6	65%	0.649	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.7	-18.2	-172.3	26.7	-36.5	0	0	0	114.8	K439 Y443	K439-P441 VanDerWaalsContact C-CD 3.46Å; K439-P441 WeakPolarHBondContact O-CD 3.41Å; P441-Y443 VanDerWaalsContact C-N 3.25Å; P441-Y443 PolarHBondContact O-N 3.35Å
442	N	95.9	Very high	93.3	Very high	145 Å²	145	58.2 Å²	58.2	78%	0.775	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.4	-2	176.8	-66.2	-29.1	0	0	0	113.5	Y440	Y440-N442 PolarHBondContact O-N 3.48Å; Y440-N442 VanDerWaalsContact O-N 3.09Å
443	Y	98	Very high	92.4	Very high	31 Å²	31	61.9 Å²	61.9	12%	0.122	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	148	179	-66.1	-106.5	0	0	0	111	M377 V380 E381 F384 R421 V423 Y440 P441 F445	M377-Y443 HydrophobicContact CE-CD1 3.79Å; M377-Y443 HydrophobicContact CE-CD2 4.15Å; M377-Y443 HydrophobicContact CE-CE1 3.76Å; M377-Y443 HydrophobicContact CE-CE2 4.09Å; M377-Y443 HydrophobicContact CE-CG 3.99Å; V380-Y443 HydrophobicContact CG1-CD1 4.38Å; V380-Y443 HydrophobicContact CG1-CE1 3.84Å; E381-Y443 PolarHBondContact OE2-OH 2.94Å; F384-Y443 HydrophobicContact CD2-CE1 4Å; F384-Y443 HydrophobicContact CE2-CD1 4.44Å; F384-Y443 HydrophobicContact CE2-CE1 4.1Å; R421-Y443 HydrophobicContact CB-CD1 3.38Å; R421-Y443 HydrophobicContact CB-CE1 3.63Å; R421-Y443 HydrophobicContact CB-CG 3.89Å; R421-Y443 HydrophobicContact CG-CD1 4.46Å; R421-Y443 HydrophobicContact CG-CE1 4.31Å; R421-Y443 CarbonylContact O-C 3.59Å; R421-Y443 VanDerWaalsContact O-CA 3.25Å; R421-Y443 WeakPolarHBondContact O-CA 3.47Å; V423-Y443 HydrophobicContact CG2-CD1 3.79Å; Y440-Y443 HydrophobicContact CD1-CE2 4.39Å; Y440-Y443 PolarHBondContact O-N 3.13Å; P441-Y443 VanDerWaalsContact C-N 3.25Å; P441-Y443 PolarHBondContact O-N 3.35Å; Y443-F445 HydrophobicContact CG-CZ 4.28Å
444	T	97.1	Very high	91.4	Very high	67 Å²	67	62 Å²	62	41%	0.411	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	116.9	168.9	-54.1	0	0	0	0	109	R421 R422 V423 Y446	R421-T444 PolarHBondContact O-N 2.86Å; R422-T444 WeakPolarHBondContact CA-O 3.22Å; V423-T444 PolarHBondContact N-O 3.09Å; T444-Y446 HydrophobicContact CG2-CE1 4.22Å; T444-Y446 HydrophobicContact CG2-CE2 3.77Å
445	F	97.5	Very high	90	Very high	25 Å²	25	59 Å²	59	11%	0.11	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	128.6	179.1	-62.8	-75.7	0	0	0	111.1	M377 V423 I425 A436 K437 Y440 Y443	M377-F445 HydrophobicContact CE-CE1 4.16Å; M377-F445 HydrophobicContact CE-CZ 4.02Å; M377-F445 HydrophobicContact SD-CE1 3.98Å; M377-F445 HydrophobicContact SD-CZ 4.29Å; V423-F445 HydrophobicContact CB-CD1 3.66Å; V423-F445 HydrophobicContact CB-CE1 3.79Å; V423-F445 HydrophobicContact CG1-CD1 4.04Å; V423-F445 HydrophobicContact CG1-CE1 4.06Å; V423-F445 HydrophobicContact CG2-CD1 4.31Å; V423-F445 HydrophobicContact CG2-CE1 3.97Å; V423-F445 CarbonylContact O-C 3.58Å; V423-F445 WeakPolarHBondContact O-CA 3.4Å; I425-F445 HydrophobicContact CD1-CB 4.26Å; I425-F445 HydrophobicContact CD1-CD1 3.55Å; I425-F445 HydrophobicContact CD1-CE1 4.22Å; I425-F445 HydrophobicContact CD1-CG 4.13Å; I425-F445 HydrophobicContact CG1-CD1 3.97Å; A436-F445 VanDerWaalsContact C-CE2 3.47Å; A436-F445 HydrophobicContact CB-CD1 3.99Å; A436-F445 HydrophobicContact CB-CD2 3.94Å; A436-F445 HydrophobicContact CB-CE1 3.83Å; A436-F445 HydrophobicContact CB-CE2 3.77Å; A436-F445 HydrophobicContact CB-CG 4.05Å; A436-F445 HydrophobicContact CB-CZ 3.72Å; A436-F445 VanDerWaalsContact O-CE2 3.25Å; A436-F445 WeakPolarHBondContact O-CE2 3.22Å; K437-F445 HydrophobicContact CG-CD2 4.23Å; Y440-F445 HydrophobicContact CD2-CZ 4.41Å; Y440-F445 HydrophobicContact CG-CZ 4.41Å; Y443-F445 HydrophobicContact CG-CZ 4.28Å
446	Y	96.5	Very high	88.3	Confident	65 Å²	65	58.1 Å²	58.1	26%	0.255	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	161.1	171.7	-55.8	-85.3	0	0	0	109.3	I344 R422 V423 I425 T444	I344-Y446 HydrophobicContact CB-CD1 4.26Å; I344-Y446 HydrophobicContact CB-CE1 4.48Å; I344-Y446 HydrophobicContact CB-CG 4.49Å; I344-Y446 HydrophobicContact CD1-CG 4.43Å; I344-Y446 HydrophobicContact CG2-CD1 3.63Å; I344-Y446 HydrophobicContact CG2-CE1 4.02Å; I344-Y446 HydrophobicContact CG2-CG 4.2Å; R422-Y446 HydrophobicContact CB-CE2 3.93Å; R422-Y446 HydrophobicContact CG-CE2 4.08Å; R422-Y446 PolarHBondContact NE-OH 3.21Å; R422-Y446 VanDerWaalsContact NE-OH 3.12Å; R422-Y446 PolarHBondContact NH2-OH 3.19Å; R422-Y446 VanDerWaalsContact NH2-OH 3.17Å; V423-Y446 PolarHBondContact O-N 2.89Å; I425-Y446 PolarHBondContact N-O 2.99Å; T444-Y446 HydrophobicContact CG2-CE1 4.22Å; T444-Y446 HydrophobicContact CG2-CE2 3.77Å
447	G	93.1	Very high	86.4	Confident	35 Å²	35	62.4 Å²	62.4	36%	0.361	34%	0.34	S	S	.	.			trans	140	-179.6	-176.4	0	0	0	0	0	109.3
448	D	89.7	Confident	84.5	Confident	69 Å²	69	65.8 Å²	65.8	37%	0.369	36%	0.356	S	S	.	.			trans	-129.3	116.4	-176.1	-176.5	-26	0	0	0	110.2	G450 R451 A452	D448-G450 VanDerWaalsContact C-N 3.34Å; D448-G450 WeakPolarHBondContact OD1-CA 3.33Å; D448-G450 PolarHBondContact OD1-N 3.34Å; D448-R451 HydrophobicContact CB-CB 3.96Å; D448-R451 HydrophobicContact CB-CG 3.99Å; D448-R451 VanDerWaalsContact CB-NH2 3.27Å; D448-R451 PolarHBondContact O-N 2.94Å; D448-R451 PolarHBondContact OD1-N 3.28Å; D448-R451 VanDerWaalsContact OD1-N 3.07Å; D448-R451 WeakPolarHBondContact OD2-CG 3.45Å; D448-R451 IonicContact OD2-NE 2.62Å; D448-R451 PolarHBondContact OD2-NE 3.31Å; D448-R451 VanDerWaalsContact OD2-NE 3.13Å; D448-A452 PolarHBondContact O-N 3.16Å; D448-A452 VanDerWaalsContact O-N 3.1Å
449	R	85.6	Confident	82.6	Confident	98 Å²	98	68 Å²	68	37%	0.37	35%	0.349	S	S	.	.	H	α-helix	trans	-66.5	-36.3	180	-165.9	-175.9	-174.5	106.4	-1.7	112	P430 F433 D434 R451 A452 D453	P430-R449 HydrophobicContact CB-CG 3.63Å; P430-R449 PolarHBondContact O-NH1 3.03Å; F433-R449 HydrophobicContact CD2-CB 4.37Å; F433-R449 HydrophobicContact CD2-CG 4.38Å; F433-R449 HydrophobicContact CE2-CB 4.49Å; D434-R449 IonicContact OD1-NH1 3.64Å; D434-R449 PolarHBondContact OD1-NH1 3.08Å; D434-R449 IonicContact OD2-CZ 2.64Å; D434-R449 VanDerWaalsContact OD2-CZ 3.3Å; D434-R449 IonicContact OD2-NH1 3.86Å; D434-R449 PolarHBondContact OD2-NH1 3.32Å; D434-R449 IonicContact OD2-NH2 3.13Å; D434-R449 PolarHBondContact OD2-NH2 3.27Å; R449-R451 VanDerWaalsContact C-N 3.34Å; R449-A452 WeakPolarHBondContact O-CB 3.38Å; R449-A452 PolarHBondContact O-N 2.82Å; R449-D453 PolarHBondContact O-N 3.17Å
450	G	82.7	Confident	80.7	Confident	41 Å²	41	65.1 Å²	65.1	42%	0.423	34%	0.335	S	S	.	.	H	α-helix	trans	-67.7	-35.8	177.7	0	0	0	0	0	112.1	D448 D453 S454	D448-G450 VanDerWaalsContact C-N 3.34Å; D448-G450 WeakPolarHBondContact OD1-CA 3.33Å; D448-G450 PolarHBondContact OD1-N 3.34Å; G450-D453 PolarHBondContact O-N 2.69Å; G450-S454 PolarHBondContact O-N 3.11Å; G450-S454 VanDerWaalsContact O-N 3.12Å; G450-S454 PolarHBondContact O-OG 3.22Å
451	R	81.7	Confident	78.8	Confident	30 Å²	30	71.4 Å²	71.4	11%	0.113	36%	0.363	C	S	.	.	H	α-helix	trans	-65.1	-41.6	170.8	-70.5	-171.8	-73.9	131	14.4	111.6	Y424 D448 R449 D453 S454 A455 G468 T471 D472	Y424-R451 PolarHBondContact OH-NH1 2.97Å; Y424-R451 PolarHBondContact OH-NH2 3.43Å; D448-R451 HydrophobicContact CB-CB 3.96Å; D448-R451 HydrophobicContact CB-CG 3.99Å; D448-R451 VanDerWaalsContact CB-NH2 3.27Å; D448-R451 PolarHBondContact O-N 2.94Å; D448-R451 PolarHBondContact OD1-N 3.28Å; D448-R451 VanDerWaalsContact OD1-N 3.07Å; D448-R451 WeakPolarHBondContact OD2-CG 3.45Å; D448-R451 IonicContact OD2-NE 2.62Å; D448-R451 PolarHBondContact OD2-NE 3.31Å; D448-R451 VanDerWaalsContact OD2-NE 3.13Å; R449-R451 VanDerWaalsContact C-N 3.34Å; R451-D453 PolarHBondContact O-N 2.85Å; R451-S454 PolarHBondContact O-N 2.88Å; R451-S454 PolarHBondContact O-OG 3.36Å; R451-S454 VanDerWaalsContact O-OG 3.04Å; R451-A455 WeakPolarHBondContact O-CB 3.47Å; R451-A455 PolarHBondContact O-N 3.08Å; R451-G468 VanDerWaalsContact CD-CA 3.45Å; R451-G468 PolarHBondContact NH1-O 3.14Å; R451-T471 VanDerWaalsContact NH1-CG2 3.25Å; R451-D472 IonicContact CZ-OD1 3.83Å; R451-D472 VanDerWaalsContact CZ-OD1 3.29Å; R451-D472 VanDerWaalsContact NH1-CG 3.27Å; R451-D472 IonicContact NH1-OD1 2.92Å; R451-D472 PolarHBondContact NH1-OD1 3.13Å; R451-D472 IonicContact NH1-OD2 2.68Å; R451-D472 IonicContact NH2-OD1 2.83Å; R451-D472 PolarHBondContact NH2-OD1 2.96Å
452	A	76.1	Confident	77.6	Confident	1 Å²	1	70.9 Å²	70.9	1%	0.008	36%	0.355	C	S	.	.	H	α-helix	trans	-60.3	-44	174.3	0	0	0	0	0	113	T427 P430 F433 D448 R449 S454 A455	T427-A452 HydrophobicContact CG2-CB 3.84Å; T427-A452 VanDerWaalsContact O-CA 3.27Å; T427-A452 WeakPolarHBondContact O-CA 3.27Å; T427-A452 VanDerWaalsContact O-CB 3.32Å; T427-A452 WeakPolarHBondContact O-CB 3.4Å; P430-A452 HydrophobicContact CB-CB 4.3Å; F433-A452 HydrophobicContact CE2-CB 4.1Å; D448-A452 PolarHBondContact O-N 3.16Å; D448-A452 VanDerWaalsContact O-N 3.1Å; R449-A452 WeakPolarHBondContact O-CB 3.38Å; R449-A452 PolarHBondContact O-N 2.82Å; A452-S454 VanDerWaalsContact C-N 3.32Å; A452-S454 PolarHBondContact O-N 3.48Å; A452-A455 PolarHBondContact O-N 3.44Å
453	D	73.9	Confident	76.7	Confident	76 Å²	76	68.9 Å²	68.9	41%	0.406	34%	0.341	S	S	.	.	H	α-helix	trans	-59.1	-42.5	176.5	-73.3	-29.4	0	0	0	112.2	P430 R449 G450 R451 S456	P430-D453 VanDerWaalsContact CB-OD1 3.26Å; P430-D453 WeakPolarHBondContact CB-OD1 3.42Å; P430-D453 WeakPolarHBondContact CG-OD1 3.44Å; R449-D453 PolarHBondContact O-N 3.17Å; G450-D453 PolarHBondContact O-N 2.69Å; R451-D453 PolarHBondContact O-N 2.85Å; D453-S456 PolarHBondContact O-OG 3.32Å
454	S	74.2	Confident	75.8	Confident	18 Å²	18	73.6 Å²	73.6	13%	0.126	37%	0.369	C	S	.	.	H	α-helix	trans	-80.8	-15.6	-179.1	72.7	0	0	0	0	114.3	G450 R451 A452 S456 R459 S465	G450-S454 PolarHBondContact O-N 3.11Å; G450-S454 VanDerWaalsContact O-N 3.12Å; G450-S454 PolarHBondContact O-OG 3.22Å; R451-S454 PolarHBondContact O-N 2.88Å; R451-S454 PolarHBondContact O-OG 3.36Å; R451-S454 VanDerWaalsContact O-OG 3.04Å; A452-S454 VanDerWaalsContact C-N 3.32Å; A452-S454 PolarHBondContact O-N 3.48Å; S454-S456 VanDerWaalsContact C-N 3.28Å; S454-S456 PolarHBondContact O-N 2.79Å; S454-R459 WeakPolarHBondContact O-CB 3.49Å; S454-S465 WeakPolarHBondContact O-CB 3.27Å; S454-S465 PolarHBondContact O-OG 3.09Å
455	A	66	Low	75.1	Confident	11 Å²	11	70.5 Å²	70.5	9%	0.091	35%	0.35	C	S	.	.	H	α-helix	trans	-77.1	-12.3	176.5	0	0	0	0	0	113.7	D428 R451 A452 R460	D428-A455 HydrophobicContact CB-CB 4.26Å; R451-A455 WeakPolarHBondContact O-CB 3.47Å; R451-A455 PolarHBondContact O-N 3.08Å; A452-A455 PolarHBondContact O-N 3.44Å; A455-R460 PolarHBondContact O-NE 3.46Å; A455-R460 VanDerWaalsContact O-NE 3.08Å
456	S	60.5	Low	74.7	Confident	31 Å²	31	69.7 Å²	69.7	22%	0.217	35%	0.347	C	S	.	.	S	Bend	trans	-54.6	146.7	175.1	62.6	0	0	0	0	112.2	D453 S454 F458 R459	D453-S456 PolarHBondContact O-OG 3.32Å; S454-S456 VanDerWaalsContact C-N 3.28Å; S454-S456 PolarHBondContact O-N 2.79Å; S456-F458 PolarHBondContact O-N 3.27Å; S456-R459 PolarHBondContact O-N 2.03Å
457	L	58.2	Low	74.4	Confident	89 Å²	89	69.1 Å²	69.1	47%	0.466	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-44.7	-35.3	-171.7	-84.8	168.6	0	0	0	114.9	D362 R459	D362-L457 WeakPolarHBondContact OD1-CD2 3.39Å; L457-R459 PolarHBondContact O-N 3.16Å
458	F	56.2	Low	74.3	Confident	198 Å²	198	67.7 Å²	67.7	87%	0.868	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.4	-17	-174.5	-58.9	-76	0	0	0	114.9	S456	S456-F458 PolarHBondContact O-N 3.27Å
459	R	58.8	Low	74.5	Confident	141 Å²	141	65.8 Å²	65.8	53%	0.532	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-116.9	-4.9	-171.7	-66.9	-176.5	-179.3	-170.5	2.3	115.1	S454 S456 L457 K461 N462 S465	S454-R459 WeakPolarHBondContact O-CB 3.49Å; S456-R459 PolarHBondContact O-N 2.03Å; L457-R459 PolarHBondContact O-N 3.16Å; R459-K461 PolarHBondContact O-N 2.96Å; R459-N462 VanDerWaalsContact O-CB 3.26Å; R459-N462 WeakPolarHBondContact O-CB 3.42Å; R459-N462 PolarHBondContact O-N 2.91Å; R459-S465 VanDerWaalsContact O-CB 3.22Å; R459-S465 WeakPolarHBondContact O-CB 3.08Å; R459-S465 PolarHBondContact O-OG 3.24Å
460	R	59	Low	74.9	Confident	53 Å²	53	61.1 Å²	61.1	20%	0.2	31%	0.305	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.3	-19.7	-170	-70.2	177.6	170.3	-163.9	-12.8	117.9	D362 A455 I466	D362-R460 IonicContact OD1-CZ 2.9Å; D362-R460 IonicContact OD1-NH1 2.75Å; D362-R460 PolarHBondContact OD1-NH1 3.35Å; D362-R460 IonicContact OD1-NH2 3.61Å; D362-R460 PolarHBondContact OD1-NH2 2.92Å; D362-R460 IonicContact OD2-CZ 3.44Å; D362-R460 IonicContact OD2-NH1 2.63Å; D362-R460 PolarHBondContact OD2-NH1 3.45Å; D362-R460 VanDerWaalsContact OD2-NH1 3.09Å; D362-R460 IonicContact OD2-NH2 3.28Å; D362-R460 PolarHBondContact OD2-NH2 3.14Å; D362-R460 VanDerWaalsContact OD2-NH2 3.1Å; A455-R460 PolarHBondContact O-NE 3.46Å; A455-R460 VanDerWaalsContact O-NE 3.08Å; R460-I466 WeakPolarHBondContact O-CG1 3.44Å
461	K	57	Low	75.5	Confident	175 Å²	175	59.6 Å²	59.6	76%	0.761	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.9	-9.4	177	-68.8	-170.9	177.2	-173.5	0	113.2	R459	R459-K461 PolarHBondContact O-N 2.96Å
462	N	72	Confident	76.2	Confident	89 Å²	89	58.7 Å²	58.7	48%	0.476	29%	0.285	S	S	.	.	S	Bend	trans	-70.8	141.4	176.3	-63.9	-0.7	0	0	0	109.5	R459 D464 S465 I466	R459-N462 VanDerWaalsContact O-CB 3.26Å; R459-N462 WeakPolarHBondContact O-CB 3.42Å; R459-N462 PolarHBondContact O-N 2.91Å; N462-D464 PolarHBondContact O-N 3.34Å; N462-D464 VanDerWaalsContact O-N 3.17Å; N462-S465 WeakPolarHBondContact O-CB 3Å; N462-S465 PolarHBondContact O-N 2.98Å; N462-I466 PolarHBondContact O-N 3.25Å; N462-I466 VanDerWaalsContact O-N 3.11Å
463	E	77	Confident	77.3	Confident	103 Å²	103	58.7 Å²	58.7	48%	0.481	29%	0.285	S	S	.	.	H	α-helix	trans	-52.1	-41.9	-177.6	-66.1	-161.1	152.2	0	0	112.3	K251 S465 I466 M467	K251-E463 VanDerWaalsContact NZ-CD 3.28Å; K251-E463 IonicContact NZ-OE1 2.82Å; K251-E463 PolarHBondContact NZ-OE1 2.71Å; K251-E463 IonicContact NZ-OE2 3.37Å; K251-E463 PolarHBondContact NZ-OE2 2.97Å; E463-S465 PolarHBondContact O-N 3.14Å; E463-I466 PolarHBondContact O-N 2.86Å; E463-M467 WeakPolarHBondContact O-CB 3.34Å; E463-M467 PolarHBondContact O-N 3.38Å
464	D	78.9	Confident	78.4	Confident	131 Å²	131	55.9 Å²	55.9	70%	0.701	27%	0.269	S	S	*	.	H	α-helix	trans	-62.7	-39	178.3	-63.6	-27.7	0	0	0	112.9	N462 M467 G468	N462-D464 PolarHBondContact O-N 3.34Å; N462-D464 VanDerWaalsContact O-N 3.17Å; D464-M467 PolarHBondContact O-N 3.48Å; D464-G468 PolarHBondContact O-N 2.92Å
465	S	83.1	Confident	79.5	Confident	2 Å²	2	55 Å²	55	1%	0.014	26%	0.263	C	S	.	.	H	α-helix	trans	-70.8	-37.5	179.2	-63.6	0	0	0	0	111.7	S454 R459 N462 E463 G468 V469	S454-S465 WeakPolarHBondContact O-CB 3.27Å; S454-S465 PolarHBondContact O-OG 3.09Å; R459-S465 VanDerWaalsContact O-CB 3.22Å; R459-S465 WeakPolarHBondContact O-CB 3.08Å; R459-S465 PolarHBondContact O-OG 3.24Å; N462-S465 WeakPolarHBondContact O-CB 3Å; N462-S465 PolarHBondContact O-N 2.98Å; E463-S465 PolarHBondContact O-N 3.14Å; S465-G468 PolarHBondContact O-N 3.29Å; S465-V469 WeakPolarHBondContact O-CG2 3.37Å; S465-V469 PolarHBondContact O-N 3.31Å; S465-V469 VanDerWaalsContact O-N 3.15Å
466	I	88.5	Confident	81.1	Confident	8 Å²	8	54.5 Å²	54.5	4%	0.041	26%	0.259	C	S	.	.	H	α-helix	trans	-65.4	-47.6	174.7	-55.6	174	0	0	0	109.3	F214 Y245 W248 R460 N462 E463 G468 V469 V470	F214-I466 HydrophobicContact CB-CG2 4.49Å; F214-I466 HydrophobicContact CD2-CG2 3.68Å; F214-I466 HydrophobicContact CE2-CG2 4.27Å; F214-I466 HydrophobicContact CG-CG2 4.26Å; Y245-I466 HydrophobicContact CD1-CD1 3.79Å; Y245-I466 HydrophobicContact CD1-CG1 4.42Å; Y245-I466 HydrophobicContact CD1-CG2 4.35Å; Y245-I466 HydrophobicContact CE1-CD1 3.5Å; Y245-I466 VanDerWaalsContact CE1-CD1 3.5Å; Y245-I466 HydrophobicContact CE1-CG1 3.74Å; Y245-I466 HydrophobicContact CE1-CG2 4.12Å; W248-I466 HydrophobicContact CB-CD1 4.43Å; W248-I466 HydrophobicContact CD2-CB 4.16Å; W248-I466 HydrophobicContact CD2-CD1 4.45Å; W248-I466 HydrophobicContact CD2-CG2 3.47Å; W248-I466 VanDerWaalsContact CD2-CG2 3.47Å; W248-I466 VanDerWaalsContact CE2-CG2 3.41Å; W248-I466 HydrophobicContact CE3-CG2 3.66Å; W248-I466 HydrophobicContact CG-CB 4.5Å; W248-I466 HydrophobicContact CG-CD1 4Å; W248-I466 HydrophobicContact CG-CG2 4.14Å; W248-I466 HydrophobicContact CH2-CG2 3.85Å; W248-I466 HydrophobicContact CZ2-CB 4.12Å; W248-I466 HydrophobicContact CZ2-CG2 3.62Å; W248-I466 HydrophobicContact CZ3-CG2 3.84Å; R460-I466 WeakPolarHBondContact O-CG1 3.44Å; N462-I466 PolarHBondContact O-N 3.25Å; N462-I466 VanDerWaalsContact O-N 3.11Å; E463-I466 PolarHBondContact O-N 2.86Å; I466-G468 VanDerWaalsContact C-N 3.27Å; I466-G468 PolarHBondContact O-N 3.38Å; I466-V469 PolarHBondContact O-N 3.29Å; I466-V470 HydrophobicContact CG2-CG2 4.3Å; I466-V470 VanDerWaalsContact O-CG2 3.23Å; I466-V470 WeakPolarHBondContact O-CG2 2.99Å; I466-V470 PolarHBondContact O-N 3.01Å
467	M	90.8	Very high	82.9	Confident	52 Å²	52	53.1 Å²	53.1	26%	0.256	25%	0.249	S	C	.	.	H	α-helix	trans	-56.8	-43	175.8	-171.3	63.9	-176.6	0	0	111.5	W248 F336 E463 D464 V469 V470 T471	W248-M467 HydrophobicContact CZ2-CB 4.22Å; W248-M467 HydrophobicContact CZ2-SD 4.1Å; F336-M467 HydrophobicContact CB-CE 4.34Å; F336-M467 HydrophobicContact CD1-CE 4.13Å; F336-M467 HydrophobicContact CD1-SD 4.43Å; F336-M467 HydrophobicContact CD2-CE 3.3Å; F336-M467 HydrophobicContact CD2-SD 4.45Å; F336-M467 HydrophobicContact CE1-CE 4.24Å; F336-M467 HydrophobicContact CE1-SD 4.22Å; F336-M467 HydrophobicContact CE2-CE 3.39Å; F336-M467 HydrophobicContact CE2-SD 4.18Å; F336-M467 HydrophobicContact CG-CE 3.67Å; F336-M467 HydrophobicContact CZ-CE 3.89Å; F336-M467 HydrophobicContact CZ-SD 4.07Å; E463-M467 WeakPolarHBondContact O-CB 3.34Å; E463-M467 PolarHBondContact O-N 3.38Å; D464-M467 PolarHBondContact O-N 3.48Å; M467-V469 PolarHBondContact O-N 2.69Å; M467-V470 PolarHBondContact O-N 3.35Å; M467-T471 PolarHBondContact O-N 2.95Å; M467-T471 PolarHBondContact O-OG1 2.99Å; M467-T471 VanDerWaalsContact O-OG1 3.07Å
468	G	91.4	Very high	84.7	Confident	5 Å²	5	52.4 Å²	52.4	5%	0.052	24%	0.24	C	C	.	.	H	α-helix	trans	-59.1	-47.5	178.2	0	0	0	0	0	113.5	R451 D464 S465 I466 T471 D472	R451-G468 VanDerWaalsContact CD-CA 3.45Å; R451-G468 PolarHBondContact NH1-O 3.14Å; D464-G468 PolarHBondContact O-N 2.92Å; S465-G468 PolarHBondContact O-N 3.29Å; I466-G468 VanDerWaalsContact C-N 3.27Å; I466-G468 PolarHBondContact O-N 3.38Å; G468-T471 PolarHBondContact O-N 3.41Å; G468-D472 PolarHBondContact O-N 2.9Å
469	V	92.7	Very high	86.7	Confident	30 Å²	30	43 Å²	43	18%	0.182	20%	0.199	C	C	.	.	H	α-helix	trans	-64.1	-41.7	176.4	172.5	0	0	0	0	111.4	F214 S465 I466 M467 D472 V473 V490	F214-V469 HydrophobicContact CD1-CG1 4.2Å; S465-V469 WeakPolarHBondContact O-CG2 3.37Å; S465-V469 PolarHBondContact O-N 3.31Å; S465-V469 VanDerWaalsContact O-N 3.15Å; I466-V469 PolarHBondContact O-N 3.29Å; M467-V469 PolarHBondContact O-N 2.69Å; V469-D472 PolarHBondContact O-N 2.95Å; V469-V473 HydrophobicContact CG1-CG2 4.42Å; V469-V473 VanDerWaalsContact O-CG2 3.32Å; V469-V473 WeakPolarHBondContact O-CG2 3.42Å; V469-V473 PolarHBondContact O-N 3.47Å; V469-V490 HydrophobicContact CG1-CG2 3.98Å
470	V	95.2	Very high	88.6	Confident	0 Å²	0	37.2 Å²	37.2	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-62.6	-44.7	177.7	171.5	0	0	0	0	111.1	F214 W248 F253 F336 I466 M467 D472 V473 F474	F214-V470 HydrophobicContact CD1-CG2 4.04Å; F214-V470 HydrophobicContact CD2-CG2 4.15Å; F214-V470 HydrophobicContact CE1-CG2 3.55Å; F214-V470 HydrophobicContact CE2-CG2 3.67Å; F214-V470 HydrophobicContact CG-CG2 4.33Å; F214-V470 HydrophobicContact CZ-CG2 3.36Å; W248-V470 HydrophobicContact CH2-CB 4.02Å; W248-V470 HydrophobicContact CH2-CG1 4.23Å; W248-V470 HydrophobicContact CH2-CG2 3.36Å; W248-V470 HydrophobicContact CZ2-CG2 4.24Å; W248-V470 HydrophobicContact CZ3-CG2 3.79Å; F253-V470 HydrophobicContact CE1-CG1 4.41Å; F253-V470 HydrophobicContact CZ-CG1 3.86Å; F336-V470 HydrophobicContact CZ-CG1 3.91Å; I466-V470 HydrophobicContact CG2-CG2 4.3Å; I466-V470 VanDerWaalsContact O-CG2 3.23Å; I466-V470 WeakPolarHBondContact O-CG2 2.99Å; I466-V470 PolarHBondContact O-N 3.01Å; M467-V470 PolarHBondContact O-N 3.35Å; V470-D472 VanDerWaalsContact C-N 3.35Å; V470-D472 PolarHBondContact O-N 3.27Å; V470-V473 PolarHBondContact O-N 3.33Å; V470-F474 HydrophobicContact CG1-CD2 3.72Å; V470-F474 HydrophobicContact CG1-CE2 3.44Å; V470-F474 VanDerWaalsContact CG1-CE2 3.44Å; V470-F474 WeakPolarHBondContact O-CD2 3.31Å; V470-F474 PolarHBondContact O-N 3.17Å
471	T	95.3	Very high	90.5	Very high	8 Å²	8	35.7 Å²	35.7	5%	0.049	17%	0.173	C	C	.	.	H	α-helix	trans	-62	-41.9	175.6	-60.1	0	0	0	0	111.6	L338 E341 R451 M467 G468 F474 A475	L338-T471 HydrophobicContact CD2-CG2 4.07Å; E341-T471 HydrophobicContact CB-CG2 4.42Å; E341-T471 HydrophobicContact CG-CG2 4Å; R451-T471 VanDerWaalsContact NH1-CG2 3.25Å; M467-T471 PolarHBondContact O-N 2.95Å; M467-T471 PolarHBondContact O-OG1 2.99Å; M467-T471 VanDerWaalsContact O-OG1 3.07Å; G468-T471 PolarHBondContact O-N 3.41Å; T471-F474 PolarHBondContact O-N 3.46Å; T471-A475 WeakPolarHBondContact O-CB 3.48Å; T471-A475 PolarHBondContact O-N 2.98Å
472	D	96.2	Very high	92.5	Very high	12 Å²	12	27.4 Å²	27.4	6%	0.064	14%	0.137	C	C	.	.	H	α-helix	trans	-62.6	-44.8	175.4	-82.1	-22.6	0	0	0	111.8	Y424 A426 R451 G468 V469 V470 F474 A475 L476	Y424-D472 PolarHBondContact OH-OD1 3.37Å; A426-D472 HydrophobicContact CB-CB 3.82Å; R451-D472 IonicContact CZ-OD1 3.83Å; R451-D472 VanDerWaalsContact CZ-OD1 3.29Å; R451-D472 VanDerWaalsContact NH1-CG 3.27Å; R451-D472 IonicContact NH1-OD1 2.92Å; R451-D472 PolarHBondContact NH1-OD1 3.13Å; R451-D472 IonicContact NH1-OD2 2.68Å; R451-D472 IonicContact NH2-OD1 2.83Å; R451-D472 PolarHBondContact NH2-OD1 2.96Å; G468-D472 PolarHBondContact O-N 2.9Å; V469-D472 PolarHBondContact O-N 2.95Å; V470-D472 VanDerWaalsContact C-N 3.35Å; V470-D472 PolarHBondContact O-N 3.27Å; D472-F474 VanDerWaalsContact C-N 3.34Å; D472-F474 PolarHBondContact O-N 3.34Å; D472-A475 PolarHBondContact O-N 3.07Å; D472-L476 VanDerWaalsContact O-CB 3.31Å; D472-L476 WeakPolarHBondContact O-CB 3.35Å; D472-L476 WeakPolarHBondContact O-CG 3.38Å; D472-L476 PolarHBondContact O-N 2.86Å
473	V	97.9	Very high	93.7	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-57	-47.9	176.3	164.3	0	0	0	0	110.8	M332 V469 V470 S477 V490 L493 L497	M332-V473 HydrophobicContact CE-CG1 4.44Å; V469-V473 HydrophobicContact CG1-CG2 4.42Å; V469-V473 VanDerWaalsContact O-CG2 3.32Å; V469-V473 WeakPolarHBondContact O-CG2 3.42Å; V469-V473 PolarHBondContact O-N 3.47Å; V470-V473 PolarHBondContact O-N 3.33Å; V473-S477 WeakPolarHBondContact O-CB 3.13Å; V473-S477 PolarHBondContact O-N 3.11Å; V473-V490 HydrophobicContact CG2-CG1 3.79Å; V473-L493 HydrophobicContact CG1-CB 4.45Å; V473-L493 HydrophobicContact CG1-CD2 3.91Å; V473-L493 HydrophobicContact CG1-CG 3.82Å; V473-L493 HydrophobicContact CG2-CD2 4.21Å; V473-L497 HydrophobicContact CG1-CD1 3.58Å
474	F	98.1	Very high	94.7	Very high	17 Å²	17	18.2 Å²	18.2	8%	0.075	9%	0.091	C	C	.	.	H	α-helix	trans	-67.5	-38	179.4	-76.4	-62.9	0	0	0	113.2	F253 M332 F336 L338 F342 V470 T471 D472 S477 R478 L497	F253-F474 HydrophobicContact CE1-CE2 4.04Å; F253-F474 AromaticContact CE1-CZ 3.98Å; F253-F474 HydrophobicContact CE1-CZ 3.98Å; F253-F474 HydrophobicContact CZ-CE2 4.4Å; F253-F474 HydrophobicContact CZ-CZ 4.49Å; M332-F474 HydrophobicContact CB-CE1 4.46Å; M332-F474 HydrophobicContact CB-CZ 4.04Å; M332-F474 HydrophobicContact CE-CE2 4.44Å; M332-F474 HydrophobicContact CE-CZ 4.19Å; M332-F474 VanDerWaalsContact O-CZ 3.26Å; M332-F474 WeakPolarHBondContact O-CZ 3.2Å; F336-F474 HydrophobicContact CZ-CE2 4.19Å; L338-F474 HydrophobicContact CD1-CB 4.07Å; L338-F474 HydrophobicContact CD1-CD2 3.6Å; L338-F474 HydrophobicContact CD1-CE2 4.21Å; L338-F474 HydrophobicContact CD1-CG 3.98Å; F342-F474 HydrophobicContact CE1-CB 4.21Å; F342-F474 HydrophobicContact CZ-CB 3.66Å; V470-F474 HydrophobicContact CG1-CD2 3.72Å; V470-F474 HydrophobicContact CG1-CE2 3.44Å; V470-F474 VanDerWaalsContact CG1-CE2 3.44Å; V470-F474 WeakPolarHBondContact O-CD2 3.31Å; V470-F474 PolarHBondContact O-N 3.17Å; T471-F474 PolarHBondContact O-N 3.46Å; D472-F474 VanDerWaalsContact C-N 3.34Å; D472-F474 PolarHBondContact O-N 3.34Å; F474-S477 PolarHBondContact O-OG 3.23Å; F474-R478 PolarHBondContact O-N 3.48Å; F474-R478 PolarHBondContact O-NH1 2.98Å; F474-L497 HydrophobicContact CD1-CD1 4.44Å; F474-L497 HydrophobicContact CE1-CD1 4.41Å
475	A	97.6	Very high	95.4	Very high	1 Å²	1	12.1 Å²	12.1	1%	0.008	6%	0.059	C	C	.	.	H	α-helix	trans	-65.8	-48.4	175.9	0	0	0	0	0	111.2	F342 F345 Y424 T471 D472 S477 R478 T479	F342-A475 HydrophobicContact CE1-CB 4.35Å; F345-A475 HydrophobicContact CE2-CB 4.26Å; F345-A475 HydrophobicContact CZ-CB 4.22Å; F345-A475 WeakPolarHBondContact CZ-O 3.22Å; Y424-A475 HydrophobicContact CD1-CB 4.26Å; Y424-A475 HydrophobicContact CD2-CB 4.42Å; Y424-A475 HydrophobicContact CE1-CB 3.6Å; Y424-A475 HydrophobicContact CE2-CB 3.77Å; Y424-A475 VanDerWaalsContact OH-CB 3.24Å; Y424-A475 WeakPolarHBondContact OH-CB 3.49Å; T471-A475 WeakPolarHBondContact O-CB 3.48Å; T471-A475 PolarHBondContact O-N 2.98Å; D472-A475 PolarHBondContact O-N 3.07Å; A475-S477 VanDerWaalsContact C-N 3.28Å; A475-S477 PolarHBondContact O-N 2.87Å; A475-R478 PolarHBondContact O-N 2.9Å; A475-T479 PolarHBondContact O-N 3.47Å
476	L	98.4	Very high	95.9	Very high	0 Å²	0	12 Å²	12	0%	0	6%	0.058	C	C	.	.	H	α-helix	trans	-56.7	-42.3	175.8	-71.5	172.1	0	0	0	111.5	H357 Y424 A426 D472 R478 T479 L482 A494	H357-L476 HydrophobicContact CB-CD1 3.95Å; Y424-L476 HydrophobicContact CD1-CD2 4Å; Y424-L476 HydrophobicContact CD1-CG 4.41Å; Y424-L476 HydrophobicContact CE1-CD2 4.5Å; Y424-L476 HydrophobicContact CE1-CG 4.47Å; A426-L476 HydrophobicContact CB-CD1 3.76Å; A426-L476 HydrophobicContact CB-CD2 4.17Å; A426-L476 HydrophobicContact CB-CG 4.09Å; D472-L476 VanDerWaalsContact O-CB 3.31Å; D472-L476 WeakPolarHBondContact O-CB 3.35Å; D472-L476 WeakPolarHBondContact O-CG 3.38Å; D472-L476 PolarHBondContact O-N 2.86Å; L476-R478 PolarHBondContact O-N 3.11Å; L476-R478 VanDerWaalsContact O-N 3.12Å; L476-T479 WeakPolarHBondContact O-CB 3.21Å; L476-T479 PolarHBondContact O-N 3.38Å; L476-T479 VanDerWaalsContact O-N 3.12Å; L476-T479 PolarHBondContact O-OG1 3Å; L476-L482 HydrophobicContact CB-CD1 4.14Å; L476-L482 HydrophobicContact CD2-CD1 3.86Å; L476-L482 HydrophobicContact CG-CD1 4.43Å; L476-A494 HydrophobicContact CB-CB 3.64Å; L476-A494 HydrophobicContact CD1-CB 4.21Å
477	S	98.2	Very high	96.1	Very high	1 Å²	1	11.8 Å²	11.8	1%	0.007	6%	0.057	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-18.7	178.2	77.7	0	0	0	0	114.7	V473 F474 A475 A494 M498 N501	V473-S477 WeakPolarHBondContact O-CB 3.13Å; V473-S477 PolarHBondContact O-N 3.11Å; F474-S477 PolarHBondContact O-OG 3.23Å; A475-S477 VanDerWaalsContact C-N 3.28Å; A475-S477 PolarHBondContact O-N 2.87Å; S477-A494 WeakPolarHBondContact CA-O 3.39Å; S477-A494 VanDerWaalsContact CB-O 3.31Å; S477-A494 WeakPolarHBondContact CB-O 3.5Å; S477-M498 WeakPolarHBondContact O-CA 3.4Å; S477-M498 WeakPolarHBondContact O-CB 3.36Å; S477-M498 WeakPolarHBondContact O-CG 3.34Å; S477-N501 PolarHBondContact O-ND2 3.13Å
478	R	97.3	Very high	96.2	Very high	75 Å²	75	9.6 Å²	9.6	28%	0.283	5%	0.047	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97	-8.9	179.7	-74.9	176.6	166.6	70.7	3.1	113.6	F342 F345 Q348 F474 A475 L476	F342-R478 VanDerWaalsContact CE2-NE 3.3Å; F345-R478 HydrophobicContact CD1-CB 4.12Å; F345-R478 HydrophobicContact CD2-CB 4.19Å; F345-R478 HydrophobicContact CE1-CB 3.97Å; F345-R478 HydrophobicContact CE2-CB 4.05Å; F345-R478 HydrophobicContact CG-CB 4.25Å; F345-R478 HydrophobicContact CZ-CB 3.95Å; Q348-R478 PolarHBondContact OE1-O 2.82Å; F474-R478 PolarHBondContact O-N 3.48Å; F474-R478 PolarHBondContact O-NH1 2.98Å; A475-R478 PolarHBondContact O-N 2.9Å; L476-R478 PolarHBondContact O-N 3.11Å; L476-R478 VanDerWaalsContact O-N 3.12Å
479	T	98.2	Very high	96.3	Very high	0 Å²	0	11.3 Å²	11.3	0%	0	5%	0.054	C	C	.	.	S	Bend	trans	-67.3	153.3	179.1	62.1	0	0	0	0	111	F345 I353 G355 A475 L476 Y481 M498	F345-T479 HydrophobicContact CE1-CG2 3.84Å; F345-T479 HydrophobicContact CZ-CG2 4.21Å; I353-T479 HydrophobicContact CG2-CG2 4.25Å; I353-T479 WeakPolarHBondContact O-CB 3.21Å; G355-T479 PolarHBondContact N-OG1 3Å; A475-T479 PolarHBondContact O-N 3.47Å; L476-T479 WeakPolarHBondContact O-CB 3.21Å; L476-T479 PolarHBondContact O-N 3.38Å; L476-T479 VanDerWaalsContact O-N 3.12Å; L476-T479 PolarHBondContact O-OG1 3Å; T479-Y481 VanDerWaalsContact C-N 3.26Å; T479-Y481 PolarHBondContact O-N 2.92Å; T479-Y481 PolarHBondContact OG1-O 2.82Å; T479-M498 VanDerWaalsContact O-CE 3.3Å; T479-M498 WeakPolarHBondContact O-CE 3.45Å
480	N	97.6	Very high	96.4	Very high	19 Å²	19	11.1 Å²	11.1	10%	0.102	5%	0.053	C	C	.	.	S	Bend	trans	-76.9	-17.8	-179.9	-58.1	103	0	0	0	113	P352 I353 Y383 Q511	P352-N480 WeakPolarHBondContact CA-OD1 3.26Å; P352-N480 HydrophobicContact CB-CB 3.93Å; P352-N480 WeakPolarHBondContact CB-OD1 3.39Å; I353-N480 PolarHBondContact N-OD1 3.34Å; I353-N480 PolarHBondContact O-N 3.46Å; Y383-N480 WeakPolarHBondContact OH-CB 3.31Å; N480-Q511 PolarHBondContact O-OE1 3.29Å
481	Y	98.3	Very high	96.5	Very high	22 Å²	22	11.1 Å²	11.1	9%	0.086	5%	0.053	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.2	133.6	176.8	-160.8	-112.7	0	0	0	109.1	V354 G355 Y383 T479 V483 Q511 F512 R513	V354-Y481 CarbonylContact C-O 3.41Å; V354-Y481 WeakPolarHBondContact CA-O 3.27Å; V354-Y481 HydrophobicContact CG1-CD1 4.25Å; V354-Y481 WeakPolarHBondContact CG1-O 3.48Å; G355-Y481 PolarHBondContact N-O 3.47Å; Y383-Y481 AromaticContact CD2-CD1 3.81Å; Y383-Y481 HydrophobicContact CD2-CD1 3.81Å; Y383-Y481 AromaticContact CD2-CD2 3.6Å; Y383-Y481 HydrophobicContact CD2-CD2 3.6Å; Y383-Y481 HydrophobicContact CD2-CE1 4.36Å; Y383-Y481 HydrophobicContact CD2-CE2 4.21Å; Y383-Y481 AromaticContact CD2-CG 3.39Å; Y383-Y481 HydrophobicContact CD2-CG 3.39Å; Y383-Y481 AromaticContact CE2-CD2 3.83Å; Y383-Y481 HydrophobicContact CE2-CD2 3.83Å; Y383-Y481 AromaticContact CE2-CG 3.78Å; Y383-Y481 HydrophobicContact CE2-CG 3.78Å; Y383-Y481 AromaticContact CG-CD1 3.88Å; Y383-Y481 HydrophobicContact CG-CD1 3.88Å; Y383-Y481 HydrophobicContact CG-CD2 4.47Å; Y383-Y481 AromaticContact CG-CG 3.84Å; Y383-Y481 HydrophobicContact CG-CG 3.84Å; T479-Y481 VanDerWaalsContact C-N 3.26Å; T479-Y481 PolarHBondContact O-N 2.92Å; T479-Y481 PolarHBondContact OG1-O 2.82Å; Y481-V483 HydrophobicContact CD1-CG2 3.92Å; Y481-V483 HydrophobicContact CE1-CG2 4.03Å; Y481-Q511 WeakPolarHBondContact CA-O 3.36Å; Y481-Q511 HydrophobicContact CD2-CB 4.3Å; Y481-F512 PolarHBondContact OH-O 2.87Å; Y481-R513 HydrophobicContact CE1-CB 3.87Å
482	L	98.7	Very high	96.6	Very high	0 Å²	0	11 Å²	11	0%	0	5%	0.051	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	118.9	-177.7	178.7	60.6	0	0	0	110.9	G355 L476 A494 M498 Q511 F512 R513	G355-L482 CarbonylContact O-C 3.51Å; L476-L482 HydrophobicContact CB-CD1 4.14Å; L476-L482 HydrophobicContact CD2-CD1 3.86Å; L476-L482 HydrophobicContact CG-CD1 4.43Å; L482-A494 HydrophobicContact CD2-CB 4.21Å; L482-M498 HydrophobicContact CB-SD 4.43Å; L482-Q511 PolarHBondContact N-O 3.22Å; L482-F512 HydrophobicContact CB-CB 4.41Å; L482-F512 CarbonylContact O-C 3.57Å; L482-F512 WeakPolarHBondContact O-CA 3.24Å; L482-R513 PolarHBondContact O-N 3.05Å
483	V	98.4	Very high	96.8	Very high	0 Å²	0	10.4 Å²	10.4	0%	0	5%	0.048	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	121.7	172.9	-170.5	0	0	0	0	109.5	V354 G355 I356 H357 Y376 E379 V380 Y481 R513 L515	V354-V483 HydrophobicContact CG1-CG2 3.86Å; G355-V483 PolarHBondContact O-N 2.96Å; I356-V483 VanDerWaalsContact CA-O 3.27Å; I356-V483 WeakPolarHBondContact CA-O 3.42Å; I356-V483 HydrophobicContact CG2-CB 4.13Å; H357-V483 PolarHBondContact N-O 3.46Å; H357-V483 VanDerWaalsContact N-O 3.09Å; Y376-V483 HydrophobicContact CD1-CG1 3.99Å; E379-V483 HydrophobicContact CB-CG1 3.9Å; E379-V483 HydrophobicContact CB-CG2 4.12Å; E379-V483 HydrophobicContact CG-CG1 4.47Å; V380-V483 HydrophobicContact CG2-CG2 4.22Å; Y481-V483 HydrophobicContact CD1-CG2 3.92Å; Y481-V483 HydrophobicContact CE1-CG2 4.03Å; V483-R513 CarbonylContact C-O 3.23Å; V483-R513 VanDerWaalsContact CA-O 3.29Å; V483-R513 WeakPolarHBondContact CA-O 3.38Å; V483-R513 HydrophobicContact CG1-CB 4.29Å; V483-R513 HydrophobicContact CG1-CG 4.31Å; V483-R513 HydrophobicContact CG2-CB 4.27Å; V483-L515 HydrophobicContact CG1-CD2 4.3Å; V483-L515 HydrophobicContact CG1-CG 4.47Å
484	C	96.9	Very high	96.8	Very high	0 Å²	0	10.4 Å²	10.4	0%	0	5%	0.048	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.5	-166.7	-173.4	76.1	0	0	0	0	112.5	H357 C491 R513 S514 L515	H357-C484 HydrophobicContact CB-CB 3.99Å; C484-C491 HydrophobicContact CB-CB 3.51Å; C484-C491 WeakPolarHBondContact CB-SG 3.23Å; C484-C491 WeakPolarHBondContact SG-CB 3.44Å; C484-C491 CovalentContact SG-SG 1.98Å; C484-C491 PolarHBondContact SG-SG 3.11Å; C484-R513 PolarHBondContact N-O 3.48Å; C484-S514 CarbonylContact O-C 3.6Å; C484-S514 VanDerWaalsContact O-CA 3.24Å; C484-S514 WeakPolarHBondContact O-CA 3.26Å; C484-L515 PolarHBondContact O-N 3.18Å
485	T	94.1	Very high	96.8	Very high	2 Å²	2	9.8 Å²	9.8	1%	0.012	5%	0.045	C	C	.	.			trans	-111.3	125.8	163.7	46.6	0	0	0	0	110.6	S487 S488 C491 L515 D516	T485-S487 PolarHBondContact O-N 2.71Å; T485-S488 VanDerWaalsContact O-CB 3.24Å; T485-S488 WeakPolarHBondContact O-CB 3.45Å; T485-S488 PolarHBondContact O-N 2.93Å; T485-S488 VanDerWaalsContact O-N 3.1Å; T485-C491 VanDerWaalsContact O-CB 3.28Å; T485-C491 WeakPolarHBondContact O-CB 3.43Å; T485-L515 HydrophobicContact CG2-CB 4.3Å; T485-D516 VanDerWaalsContact C-OD1 3.3Å; T485-D516 WeakPolarHBondContact CA-OD1 3.39Å; T485-D516 VanDerWaalsContact CB-CG 3.48Å; T485-D516 WeakPolarHBondContact CB-OD1 3.44Å; T485-D516 WeakPolarHBondContact CB-OD2 3.19Å; T485-D516 HydrophobicContact CG2-CB 4.4Å; T485-D516 WeakPolarHBondContact CG2-OD2 3.31Å
486	F	94.1	Very high	96.9	Very high	0 Å²	0	9.8 Å²	9.8	0%	0	5%	0.045	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.4	-7.9	175.8	-79.6	-25	0	0	0	113.9	S488 R492 Y495 F512 S514 D516 D517 Y519	F486-S488 PolarHBondContact O-N 2.94Å; F486-R492 HydrophobicContact CB-CG 4.42Å; F486-R492 HydrophobicContact CD1-CG 4.06Å; F486-R492 WeakPolarHBondContact O-CD 3.2Å; F486-R492 WeakPolarHBondContact O-CG 3.19Å; F486-R492 PolarHBondContact O-NH1 3.28Å; F486-Y495 AromaticContact CE1-CD1 3.92Å; F486-Y495 HydrophobicContact CE1-CD1 3.92Å; F486-Y495 AromaticContact CE1-CG 3.93Å; F486-Y495 HydrophobicContact CE1-CG 3.93Å; F486-Y495 AromaticContact CZ-CD1 3.69Å; F486-Y495 HydrophobicContact CZ-CD1 3.69Å; F486-Y495 HydrophobicContact CZ-CD2 4.36Å; F486-Y495 AromaticContact CZ-CE1 3.96Å; F486-Y495 HydrophobicContact CZ-CE1 3.96Å; F486-Y495 AromaticContact CZ-CG 3.89Å; F486-Y495 HydrophobicContact CZ-CG 3.89Å; F486-F512 HydrophobicContact CD2-CD2 4.46Å; F486-F512 HydrophobicContact CD2-CE2 4.18Å; F486-F512 HydrophobicContact CE1-CD2 4.27Å; F486-F512 AromaticContact CE2-CD2 3.36Å; F486-F512 HydrophobicContact CE2-CD2 3.36Å; F486-F512 AromaticContact CE2-CE2 3.14Å; F486-F512 HydrophobicContact CE2-CE2 3.14Å; F486-F512 HydrophobicContact CE2-CG 4.22Å; F486-F512 AromaticContact CE2-CZ 3.81Å; F486-F512 HydrophobicContact CE2-CZ 3.81Å; F486-F512 HydrophobicContact CZ-CB 4.35Å; F486-F512 HydrophobicContact CZ-CD1 4.38Å; F486-F512 AromaticContact CZ-CD2 3.23Å; F486-F512 HydrophobicContact CZ-CD2 3.23Å; F486-F512 AromaticContact CZ-CE2 3.55Å; F486-F512 HydrophobicContact CZ-CE2 3.55Å; F486-F512 AromaticContact CZ-CG 3.72Å; F486-F512 HydrophobicContact CZ-CG 3.72Å; F486-F512 HydrophobicContact CZ-CZ 4.2Å; F486-S514 WeakPolarHBondContact CB-OG 3.22Å; F486-S514 VanDerWaalsContact CD2-CB 3.44Å; F486-S514 PolarHBondContact N-OG 3.21Å; F486-D516 PolarHBondContact N-OD1 2.94Å; F486-D517 HydrophobicContact CB-CB 4.25Å; F486-Y519 HydrophobicContact CZ-CD2 4.46Å
487	S	92.1	Very high	96.9	Very high	3 Å²	3	10 Å²	10	2%	0.021	5%	0.046	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62	-23.2	160.8	64.6	0	0	0	0	112.4	T485 D516	T485-S487 PolarHBondContact O-N 2.71Å; S487-D516 WeakPolarHBondContact CB-OD2 3.32Å; S487-D516 PolarHBondContact N-OD1 3.39Å; S487-D516 PolarHBondContact OG-OD2 3.16Å
488	S	93.3	Very high	96.9	Very high	7 Å²	7	10 Å²	10	5%	0.049	5%	0.046	C	C	.	.			trans	-81.2	123.6	178.4	-179.7	0	0	0	0	112.5	H357 T485 F486 V490 C491 R492	H357-S488 PolarHBondContact CE1-OG 2.69Å; H357-S488 VanDerWaalsContact CE1-OG 3.25Å; T485-S488 VanDerWaalsContact O-CB 3.24Å; T485-S488 WeakPolarHBondContact O-CB 3.45Å; T485-S488 PolarHBondContact O-N 2.93Å; T485-S488 VanDerWaalsContact O-N 3.1Å; F486-S488 PolarHBondContact O-N 2.94Å; S488-V490 PolarHBondContact O-N 2.68Å; S488-V490 PolarHBondContact OG-N 3.34Å; S488-V490 VanDerWaalsContact OG-N 3.17Å; S488-C491 PolarHBondContact O-N 3.43Å; S488-C491 PolarHBondContact OG-N 3.27Å; S488-R492 PolarHBondContact O-N 3.48Å; S488-R492 VanDerWaalsContact O-N 3.07Å
489	Q	94.1	Very high	97	Very high	41 Å²	41	6.4 Å²	6.4	19%	0.192	3%	0.033	C	C	.	.	H	α-helix	trans	-56.3	-36.4	168.6	-62.5	-74	27.8	0	0	112	C216 H219 L493	C216-Q489 HydrophobicContact CB-CG 4.31Å; H219-Q489 PolarHBondContact CE1-O 3.23Å; H219-Q489 VanDerWaalsContact CE1-O 3.25Å; H219-Q489 PolarHBondContact CE1-OE1 2.99Å; H219-Q489 VanDerWaalsContact CE1-OE1 3.28Å; H219-Q489 PolarHBondContact ND1-OE1 3.29Å; Q489-L493 WeakPolarHBondContact O-CB 3.22Å; Q489-L493 PolarHBondContact O-N 2.9Å
490	V	94.9	Very high	96.9	Very high	26 Å²	26	6.8 Å²	6.8	16%	0.158	4%	0.035	C	C	.	.	H	α-helix	trans	-66	-42.5	179.9	171.9	0	0	0	0	110.6	V469 V473 S488 A494	V469-V490 HydrophobicContact CG1-CG2 3.98Å; V473-V490 HydrophobicContact CG2-CG1 3.79Å; S488-V490 PolarHBondContact O-N 2.68Å; S488-V490 PolarHBondContact OG-N 3.34Å; S488-V490 VanDerWaalsContact OG-N 3.17Å; V490-A494 PolarHBondContact O-N 2.96Å
491	C	96.8	Very high	96.9	Very high	0 Å²	0	7.1 Å²	7.1	0%	0	4%	0.037	C	C	.	.	H	α-helix	trans	-67.2	-47.4	178.3	-177.1	0	0	0	0	111.9	C484 T485 S488 L493 A494 Y495	C484-C491 HydrophobicContact CB-CB 3.51Å; C484-C491 WeakPolarHBondContact CB-SG 3.23Å; C484-C491 WeakPolarHBondContact SG-CB 3.44Å; C484-C491 CovalentContact SG-SG 1.98Å; C484-C491 PolarHBondContact SG-SG 3.11Å; T485-C491 VanDerWaalsContact O-CB 3.28Å; T485-C491 WeakPolarHBondContact O-CB 3.43Å; S488-C491 PolarHBondContact O-N 3.43Å; S488-C491 PolarHBondContact OG-N 3.27Å; C491-L493 VanDerWaalsContact C-N 3.26Å; C491-L493 PolarHBondContact O-N 3.05Å; C491-A494 PolarHBondContact O-N 3.1Å; C491-A494 VanDerWaalsContact O-N 3.12Å; C491-Y495 WeakPolarHBondContact O-CB 3.24Å; C491-Y495 PolarHBondContact O-N 2.93Å
492	R	98.1	Very high	96.7	Very high	4 Å²	4	6.1 Å²	6.1	2%	0.015	3%	0.033	C	C	.	.	H	α-helix	trans	-57.2	-43.4	179.4	-70.2	-163.7	-64.4	-114.3	11	111.7	F486 S488 A494 Y495 E496 Y519 Y520	F486-R492 HydrophobicContact CB-CG 4.42Å; F486-R492 HydrophobicContact CD1-CG 4.06Å; F486-R492 WeakPolarHBondContact O-CD 3.2Å; F486-R492 WeakPolarHBondContact O-CG 3.19Å; F486-R492 PolarHBondContact O-NH1 3.28Å; S488-R492 PolarHBondContact O-N 3.48Å; S488-R492 VanDerWaalsContact O-N 3.07Å; R492-A494 PolarHBondContact O-N 2.81Å; R492-Y495 PolarHBondContact O-N 3.37Å; R492-E496 WeakPolarHBondContact O-CB 3.22Å; R492-E496 WeakPolarHBondContact O-CG 3.22Å; R492-E496 PolarHBondContact O-N 2.83Å; R492-Y519 HydrophobicContact CB-CE2 4.45Å; R492-Y519 HydrophobicContact CG-CD2 4.45Å; R492-Y519 HydrophobicContact CG-CE2 4.46Å; R492-Y520 WeakPolarHBondContact CD-O 3.27Å; R492-Y520 PolarHBondContact NE-O 3.25Å; R492-Y520 VanDerWaalsContact NH1-CE2 3.3Å; R492-Y520 PolarHBondContact NH1-OH 3.18Å
493	L	98.7	Very high	96.4	Very high	0 Å²	0	10.9 Å²	10.9	0%	0	6%	0.058	C	C	.	.	H	α-helix	trans	-61.8	-43.7	176.8	-175.2	60.7	0	0	0	112.2	F214 A218 M222 M332 V473 Q489 C491 E496 L497	F214-L493 HydrophobicContact CE1-CD2 3.97Å; A218-L493 HydrophobicContact CB-CD1 4.32Å; A218-L493 HydrophobicContact CB-CD2 3.74Å; M222-L493 HydrophobicContact CE-CD1 4.45Å; M222-L493 HydrophobicContact SD-CD1 3.71Å; M332-L493 HydrophobicContact CE-CD2 4.27Å; M332-L493 HydrophobicContact SD-CD1 4.05Å; M332-L493 HydrophobicContact SD-CD2 4.13Å; M332-L493 HydrophobicContact SD-CG 4.42Å; V473-L493 HydrophobicContact CG1-CB 4.45Å; V473-L493 HydrophobicContact CG1-CD2 3.91Å; V473-L493 HydrophobicContact CG1-CG 3.82Å; V473-L493 HydrophobicContact CG2-CD2 4.21Å; Q489-L493 WeakPolarHBondContact O-CB 3.22Å; Q489-L493 PolarHBondContact O-N 2.9Å; C491-L493 VanDerWaalsContact C-N 3.26Å; C491-L493 PolarHBondContact O-N 3.05Å; L493-E496 PolarHBondContact O-N 3.22Å; L493-L497 HydrophobicContact CD1-CD1 4.44Å; L493-L497 HydrophobicContact CD1-CG 4.46Å; L493-L497 HydrophobicContact CG-CD1 4.31Å; L493-L497 WeakPolarHBondContact O-CB 3.32Å; L493-L497 WeakPolarHBondContact O-CG 3.33Å; L493-L497 PolarHBondContact O-N 3.31Å
494	A	98.7	Very high	96.1	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-62.5	-42.7	175.6	0	0	0	0	0	111.9	L476 S477 L482 V490 C491 R492 M498	L476-A494 HydrophobicContact CB-CB 3.64Å; L476-A494 HydrophobicContact CD1-CB 4.21Å; S477-A494 WeakPolarHBondContact CA-O 3.39Å; S477-A494 VanDerWaalsContact CB-O 3.31Å; S477-A494 WeakPolarHBondContact CB-O 3.5Å; L482-A494 HydrophobicContact CD2-CB 4.21Å; V490-A494 PolarHBondContact O-N 2.96Å; C491-A494 PolarHBondContact O-N 3.1Å; C491-A494 VanDerWaalsContact O-N 3.12Å; R492-A494 PolarHBondContact O-N 2.81Å; A494-M498 VanDerWaalsContact O-CB 3.26Å; A494-M498 WeakPolarHBondContact O-CB 3.4Å; A494-M498 PolarHBondContact O-N 2.69Å
495	Y	98.8	Very high	95.9	Very high	5 Å²	5	15.4 Å²	15.4	2%	0.02	8%	0.079	C	C	.	.	H	α-helix	trans	-65.3	-38.4	176.4	175.3	-118.5	0	0	0	112.6	V321 F486 C491 R492 M498 Q499 S509 F512 Y519	V321-Y495 HydrophobicContact CB-CE1 4.24Å; V321-Y495 HydrophobicContact CG1-CD1 3.71Å; V321-Y495 HydrophobicContact CG1-CE1 3.44Å; V321-Y495 VanDerWaalsContact CG1-CE1 3.44Å; V321-Y495 HydrophobicContact CG2-CE1 3.93Å; F486-Y495 AromaticContact CE1-CD1 3.92Å; F486-Y495 HydrophobicContact CE1-CD1 3.92Å; F486-Y495 AromaticContact CE1-CG 3.93Å; F486-Y495 HydrophobicContact CE1-CG 3.93Å; F486-Y495 AromaticContact CZ-CD1 3.69Å; F486-Y495 HydrophobicContact CZ-CD1 3.69Å; F486-Y495 HydrophobicContact CZ-CD2 4.36Å; F486-Y495 AromaticContact CZ-CE1 3.96Å; F486-Y495 HydrophobicContact CZ-CE1 3.96Å; F486-Y495 AromaticContact CZ-CG 3.89Å; F486-Y495 HydrophobicContact CZ-CG 3.89Å; C491-Y495 WeakPolarHBondContact O-CB 3.24Å; C491-Y495 PolarHBondContact O-N 2.93Å; R492-Y495 PolarHBondContact O-N 3.37Å; Y495-M498 HydrophobicContact CD2-SD 4.39Å; Y495-M498 WeakPolarHBondContact O-CB 3.3Å; Y495-M498 PolarHBondContact O-N 3.15Å; Y495-Q499 WeakPolarHBondContact O-CG 3.25Å; Y495-Q499 PolarHBondContact O-N 3.43Å; Y495-Q499 PolarHBondContact O-NE2 3.37Å; Y495-S509 PolarHBondContact OH-O 3.06Å; Y495-F512 HydrophobicContact CD2-CB 3.96Å; Y495-F512 HydrophobicContact CD2-CD1 4.13Å; Y495-F512 HydrophobicContact CD2-CG 4.18Å; Y495-F512 HydrophobicContact CE2-CB 4Å; Y495-F512 AromaticContact CE2-CD1 3.34Å; Y495-F512 HydrophobicContact CE2-CD1 3.34Å; Y495-F512 HydrophobicContact CE2-CE1 4.06Å; Y495-F512 AromaticContact CE2-CG 3.84Å; Y495-F512 HydrophobicContact CE2-CG 3.84Å; Y495-F512 AromaticContact CZ-CD1 3.61Å; Y495-F512 AromaticContact CZ-CE1 3.84Å; Y495-F512 WeakPolarHBondContact OH-CE1 3.44Å; Y495-Y519 AromaticContact CD1-CD2 3.54Å; Y495-Y519 HydrophobicContact CD1-CD2 3.54Å; Y495-Y519 AromaticContact CD1-CE2 3.92Å; Y495-Y519 HydrophobicContact CD1-CE2 3.92Å; Y495-Y519 HydrophobicContact CD1-CG 4.33Å; Y495-Y519 AromaticContact CE1-CD2 3.67Å; Y495-Y519 HydrophobicContact CE1-CD2 3.67Å; Y495-Y519 HydrophobicContact CE1-CE2 4.24Å; Y495-Y519 HydrophobicContact CE1-CG 4Å
496	E	98.9	Very high	95.9	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-65.6	-49.2	176.4	-72.1	163.1	176.7	0	0	111.2	H219 M222 V321 I324 G325 R492 L493 M498 Q499 Y519	H219-E496 IonicContact CD2-OE1 3.93Å; H219-E496 IonicContact CD2-OE2 2.71Å; H219-E496 IonicContact NE2-OE1 3.35Å; H219-E496 PolarHBondContact NE2-OE1 3.32Å; H219-E496 IonicContact NE2-OE2 3.41Å; H219-E496 PolarHBondContact NE2-OE2 2.95Å; M222-E496 HydrophobicContact CE-CB 4.43Å; M222-E496 WeakPolarHBondContact CE-OE2 3.47Å; V321-E496 HydrophobicContact CG1-CG 4.01Å; I324-E496 HydrophobicContact CG2-CB 4.3Å; I324-E496 HydrophobicContact CG2-CG 3.77Å; G325-E496 VanDerWaalsContact CA-O 3.25Å; G325-E496 WeakPolarHBondContact CA-O 3.44Å; R492-E496 WeakPolarHBondContact O-CB 3.22Å; R492-E496 WeakPolarHBondContact O-CG 3.22Å; R492-E496 PolarHBondContact O-N 2.83Å; L493-E496 PolarHBondContact O-N 3.22Å; E496-M498 VanDerWaalsContact C-N 3.27Å; E496-M498 PolarHBondContact O-N 2.9Å; E496-Q499 WeakPolarHBondContact O-CB 3.34Å; E496-Q499 PolarHBondContact O-N 2.98Å; E496-Q499 VanDerWaalsContact O-N 3.14Å; E496-Y519 HydrophobicContact CG-CE2 3.97Å; E496-Y519 WeakPolarHBondContact OE1-CE2 3.29Å; E496-Y519 PolarHBondContact OE1-OH 3.26Å
497	L	98.8	Very high	95.9	Very high	6 Å²	6	16.4 Å²	16.4	3%	0.031	9%	0.085	C	C	.	.	H	α-helix	trans	-63.5	-33.6	175.9	-69.1	174.7	0	0	0	112.3	M332 V473 F474 L493 Q499 S500	M332-L497 HydrophobicContact CE-CD1 4.2Å; M332-L497 HydrophobicContact SD-CD1 4.04Å; V473-L497 HydrophobicContact CG1-CD1 3.58Å; F474-L497 HydrophobicContact CD1-CD1 4.44Å; F474-L497 HydrophobicContact CE1-CD1 4.41Å; L493-L497 HydrophobicContact CD1-CD1 4.44Å; L493-L497 HydrophobicContact CD1-CG 4.46Å; L493-L497 HydrophobicContact CG-CD1 4.31Å; L493-L497 WeakPolarHBondContact O-CB 3.32Å; L493-L497 WeakPolarHBondContact O-CG 3.33Å; L493-L497 PolarHBondContact O-N 3.31Å; L497-Q499 PolarHBondContact O-N 3.3Å; L497-S500 WeakPolarHBondContact O-CB 3.25Å; L497-S500 PolarHBondContact O-N 2.86Å; L497-S500 PolarHBondContact O-OG 3.45Å
498	M	98.7	Very high	96.1	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-56.8	-33.4	175.4	-176.5	-173.3	-171.2	0	0	112.1	S477 T479 L482 A494 Y495 E496 S500 N501 L505 A508 Q511	S477-M498 WeakPolarHBondContact O-CA 3.4Å; S477-M498 WeakPolarHBondContact O-CB 3.36Å; S477-M498 WeakPolarHBondContact O-CG 3.34Å; T479-M498 VanDerWaalsContact O-CE 3.3Å; T479-M498 WeakPolarHBondContact O-CE 3.45Å; L482-M498 HydrophobicContact CB-SD 4.43Å; A494-M498 VanDerWaalsContact O-CB 3.26Å; A494-M498 WeakPolarHBondContact O-CB 3.4Å; A494-M498 PolarHBondContact O-N 2.69Å; Y495-M498 HydrophobicContact CD2-SD 4.39Å; Y495-M498 WeakPolarHBondContact O-CB 3.3Å; Y495-M498 PolarHBondContact O-N 3.15Å; E496-M498 VanDerWaalsContact C-N 3.27Å; E496-M498 PolarHBondContact O-N 2.9Å; M498-S500 PolarHBondContact O-N 2.71Å; M498-S500 VanDerWaalsContact O-N 3.15Å; M498-N501 PolarHBondContact O-N 3.4Å; M498-L505 HydrophobicContact CE-CD1 3.81Å; M498-L505 HydrophobicContact CG-CD1 3.54Å; M498-A508 HydrophobicContact CE-CB 4.17Å; M498-A508 HydrophobicContact CG-CB 4Å; M498-A508 HydrophobicContact SD-CB 4.43Å; M498-Q511 HydrophobicContact CE-CB 3.32Å; M498-Q511 HydrophobicContact CE-CG 4.34Å; M498-Q511 WeakPolarHBondContact CE-O 3.3Å; M498-Q511 VanDerWaalsContact CE-OE1 3.27Å; M498-Q511 HydrophobicContact SD-CB 4.44Å
499	Q	98.4	Very high	96.2	Very high	0 Å²	0	16 Å²	16	0%	0	8%	0.082	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.7	-7.3	179.2	-51	-41.6	-61.7	0	0	113.6	H316 V321 W322 Y495 E496 L497 H502 A508 S509	H316-Q499 PolarHBondContact CE1-OE1 2.03Å; H316-Q499 PolarHBondContact NE2-OE1 3.45Å; V321-Q499 HydrophobicContact CB-CG 4.06Å; V321-Q499 HydrophobicContact CG1-CG 3.42Å; V321-Q499 VanDerWaalsContact CG1-CG 3.42Å; W322-Q499 HydrophobicContact CB-CB 4.47Å; Y495-Q499 WeakPolarHBondContact O-CG 3.25Å; Y495-Q499 PolarHBondContact O-N 3.43Å; Y495-Q499 PolarHBondContact O-NE2 3.37Å; E496-Q499 WeakPolarHBondContact O-CB 3.34Å; E496-Q499 PolarHBondContact O-N 2.98Å; E496-Q499 VanDerWaalsContact O-N 3.14Å; L497-Q499 PolarHBondContact O-N 3.3Å; Q499-H502 PolarHBondContact O-CD2 3.27Å; Q499-H502 PolarHBondContact O-NE2 3.22Å; Q499-H502 VanDerWaalsContact O-NE2 3.14Å; Q499-A508 PolarHBondContact NE2-O 3.1Å; Q499-A508 PolarHBondContact OE1-O 3.3Å; Q499-S509 VanDerWaalsContact OE1-CA 3.25Å
500	S	97.6	Very high	96.2	Very high	8 Å²	8	16.5 Å²	16.5	6%	0.056	8%	0.084	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.4	-3.3	179.5	78.5	0	0	0	0	114.4	L497 M498 H502	L497-S500 WeakPolarHBondContact O-CB 3.25Å; L497-S500 PolarHBondContact O-N 2.86Å; L497-S500 PolarHBondContact O-OG 3.45Å; M498-S500 PolarHBondContact O-N 2.71Å; M498-S500 VanDerWaalsContact O-N 3.15Å; S500-H502 PolarHBondContact O-CE1 2.94Å; S500-H502 PolarHBondContact O-N 3.37Å; S500-H502 PolarHBondContact O-ND1 2.93Å
501	N	95.9	Very high	96.3	Very high	26 Å²	26	17.1 Å²	17.1	14%	0.139	9%	0.085	C	C	.	.			trans	-95.9	58.6	-178.6	-64	-34.4	0	0	0	111.4	S477 M498 L503 L505	S477-N501 PolarHBondContact O-ND2 3.13Å; M498-N501 PolarHBondContact O-N 3.4Å; N501-L503 PolarHBondContact O-N 3.47Å; N501-L505 HydrophobicContact CB-CD1 4.11Å; N501-L505 HydrophobicContact CB-CG 4.28Å; N501-L505 WeakPolarHBondContact O-CB 3.4Å; N501-L505 PolarHBondContact O-N 2.78Å
502	H	95.3	Very high	96.3	Very high	1 Å²	1	18.6 Å²	18.6	1%	0.005	9%	0.092	C	C	.	.	H	α-helix	trans	-67.1	-38.7	-169.6	-36.3	102.4	0	0	0	113.4	L178 E179 S182 W322 Q326 Q499 S500 E504 G506	L178-H502 HydrophobicContact CB-CB 4.01Å; E179-H502 IonicContact OE2-CE1 2.87Å; E179-H502 IonicContact OE2-CG 3.05Å; E179-H502 IonicContact OE2-ND1 2.62Å; E179-H502 PolarHBondContact OE2-ND1 3.47Å; S182-H502 WeakPolarHBondContact CB-CE1 3.49Å; W322-H502 AromaticContact CD1-NE2 3.63Å; W322-H502 AromaticContact CE2-NE2 3.93Å; W322-H502 AromaticContact NE1-CD2 3.68Å; W322-H502 AromaticContact NE1-CE1 3.88Å; W322-H502 AromaticContact NE1-NE2 2.9Å; W322-H502 PolarHBondContact NE1-NE2 2.9Å; Q326-H502 PolarHBondContact NE2-CE1 3.2Å; Q326-H502 VanDerWaalsContact NE2-CE1 3.27Å; Q326-H502 PolarHBondContact NE2-NE2 2.79Å; Q499-H502 PolarHBondContact O-CD2 3.27Å; Q499-H502 PolarHBondContact O-NE2 3.22Å; Q499-H502 VanDerWaalsContact O-NE2 3.14Å; S500-H502 PolarHBondContact O-CE1 2.94Å; S500-H502 PolarHBondContact O-N 3.37Å; S500-H502 PolarHBondContact O-ND1 2.93Å; H502-E504 VanDerWaalsContact C-N 3.29Å; H502-E504 PolarHBondContact O-N 2.83Å; H502-G506 VanDerWaalsContact O-CA 3.22Å; H502-G506 WeakPolarHBondContact O-CA 3.48Å; H502-G506 PolarHBondContact O-N 2.94Å
503	L	92.4	Very high	96.1	Very high	99 Å²	99	19 Å²	19	52%	0.518	9%	0.093	S	C	.	.	H	α-helix	trans	-61.2	-40.7	-177	-67.4	177.8	0	0	0	111.3	I175 E179 N501	I175-L503 HydrophobicContact CG2-CD2 4.02Å; E179-L503 HydrophobicContact CB-CD2 4.39Å; E179-L503 HydrophobicContact CG-CD2 4.09Å; E179-L503 HydrophobicContact CG-CG 4.29Å; N501-L503 PolarHBondContact O-N 3.47Å
504	E	90.7	Very high	95.9	Very high	93 Å²	93	19 Å²	19	44%	0.435	9%	0.093	S	C	.	.	H	α-helix	trans	-84.9	-47.1	179.9	-61.3	77.9	-169.4	0	0	112	K405 H502	K405-E504 WeakPolarHBondContact CE-O 3.35Å; K405-E504 PolarHBondContact NZ-O 2.78Å; H502-E504 VanDerWaalsContact C-N 3.29Å; H502-E504 PolarHBondContact O-N 2.83Å
505	L	94	Very high	95.6	Very high	3 Å²	3	20.1 Å²	20.1	2%	0.016	10%	0.099	C	C	.	.	H	α-helix	trans	-104.4	-26.1	-166.3	-59.2	-176.8	0	0	0	113.8	K405 M498 N501 A508 Q511	K405-L505 VanDerWaalsContact NZ-C 3.3Å; K405-L505 PolarHBondContact NZ-O 2.83Å; M498-L505 HydrophobicContact CE-CD1 3.81Å; M498-L505 HydrophobicContact CG-CD1 3.54Å; N501-L505 HydrophobicContact CB-CD1 4.11Å; N501-L505 HydrophobicContact CB-CG 4.28Å; N501-L505 WeakPolarHBondContact O-CB 3.4Å; N501-L505 PolarHBondContact O-N 2.78Å; L505-A508 HydrophobicContact CB-CB 4.05Å; L505-A508 HydrophobicContact CD1-CB 4.43Å; L505-Q511 PolarHBondContact O-NE2 2.93Å
506	G	93.7	Very high	95.1	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	11%	0.107	C	C	.	.	S	Bend	trans	69.5	-138.5	-172.7	0	0	0	0	0	112.3	H502 A508	H502-G506 VanDerWaalsContact O-CA 3.22Å; H502-G506 WeakPolarHBondContact O-CA 3.48Å; H502-G506 PolarHBondContact O-N 2.94Å; G506-A508 PolarHBondContact O-N 3.1Å
507	D	94.8	Very high	94.7	Very high	23 Å²	23	24.2 Å²	24.2	12%	0.123	12%	0.121	C	C	.	.	S	Bend	trans	-71.2	93.2	169.9	-177.9	-2.8	0	0	0	108.9	R101 H316 G317 S509	R101-D507 IonicContact CZ-OD2 2.72Å; R101-D507 IonicContact NE-OD2 3.22Å; R101-D507 PolarHBondContact NE-OD2 3.13Å; R101-D507 IonicContact NH2-OD2 3.36Å; R101-D507 PolarHBondContact NH2-OD2 3.41Å; R101-D507 VanDerWaalsContact NH2-OD2 3.15Å; H316-D507 IonicContact CD2-OD1 2.82Å; H316-D507 IonicContact CE1-OD1 3.57Å; H316-D507 IonicContact CG-OD1 3.15Å; H316-D507 IonicContact NE2-OD1 3.16Å; G317-D507 PolarHBondContact N-OD1 3.17Å; G317-D507 VanDerWaalsContact N-OD1 3.15Å; G317-D507 PolarHBondContact N-OD2 3.2Å; G317-D507 VanDerWaalsContact N-OD2 3.07Å; D507-S509 PolarHBondContact O-N 3.31Å; D507-S509 WeakPolarHBondContact OD1-CB 3.33Å; D507-S509 PolarHBondContact OD1-N 2.97Å; D507-S509 PolarHBondContact OD1-OG 2.85Å
508	A	96.4	Very high	94.3	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	13%	0.128	C	C	.	.			trans	-85.1	5.8	-178	0	0	0	0	0	113.2	M498 Q499 L505 G506 Q510 Q511	M498-A508 HydrophobicContact CE-CB 4.17Å; M498-A508 HydrophobicContact CG-CB 4Å; M498-A508 HydrophobicContact SD-CB 4.43Å; Q499-A508 PolarHBondContact NE2-O 3.1Å; Q499-A508 PolarHBondContact OE1-O 3.3Å; L505-A508 HydrophobicContact CB-CB 4.05Å; L505-A508 HydrophobicContact CD1-CB 4.43Å; G506-A508 PolarHBondContact O-N 3.1Å; A508-Q510 PolarHBondContact O-N 2.8Å; A508-Q511 HydrophobicContact CB-CB 4.43Å; A508-Q511 HydrophobicContact CB-CG 4.43Å; A508-Q511 WeakPolarHBondContact O-CB 3.22Å; A508-Q511 PolarHBondContact O-N 3.16Å
509	S	95.8	Very high	94.1	Very high	2 Å²	2	27.2 Å²	27.2	1%	0.014	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-26.2	-172.8	59.5	0	0	0	0	113.3	G317 Y495 Q499 D507 F512	G317-S509 VanDerWaalsContact CA-OG 3.24Å; G317-S509 WeakPolarHBondContact CA-OG 3.39Å; G317-S509 PolarHBondContact N-OG 3.1Å; Y495-S509 PolarHBondContact OH-O 3.06Å; Q499-S509 VanDerWaalsContact OE1-CA 3.25Å; D507-S509 PolarHBondContact O-N 3.31Å; D507-S509 WeakPolarHBondContact OD1-CB 3.33Å; D507-S509 PolarHBondContact OD1-N 2.97Å; D507-S509 PolarHBondContact OD1-OG 2.85Å; S509-F512 VanDerWaalsContact O-CD1 3.27Å; S509-F512 WeakPolarHBondContact O-CD1 3.4Å; S509-F512 WeakPolarHBondContact O-CE1 3.42Å
510	Q	93.4	Very high	93.9	Very high	50 Å²	50	30.5 Å²	30.5	23%	0.234	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.3	7.3	-177.8	-67.3	-63.2	-38.5	0	0	113.2	L104 R108 A508 F512	L104-Q510 HydrophobicContact CD2-CG 4.3Å; R108-Q510 PolarHBondContact NH1-O 2.91Å; R108-Q510 PolarHBondContact NH2-O 3.02Å; A508-Q510 PolarHBondContact O-N 2.8Å; Q510-F512 VanDerWaalsContact C-N 3.26Å; Q510-F512 PolarHBondContact O-N 3.16Å
511	Q	95.7	Very high	93.8	Very high	39 Å²	39	30.3 Å²	30.3	18%	0.182	15%	0.146	C	C	.	.	S	Bend	trans	-92.5	41.4	-176.7	-64.7	178.2	7.3	0	0	112.2	N480 Y481 L482 M498 L505 A508	N480-Q511 PolarHBondContact O-OE1 3.29Å; Y481-Q511 WeakPolarHBondContact CA-O 3.36Å; Y481-Q511 HydrophobicContact CD2-CB 4.3Å; L482-Q511 PolarHBondContact N-O 3.22Å; M498-Q511 HydrophobicContact CE-CB 3.32Å; M498-Q511 HydrophobicContact CE-CG 4.34Å; M498-Q511 WeakPolarHBondContact CE-O 3.3Å; M498-Q511 VanDerWaalsContact CE-OE1 3.27Å; M498-Q511 HydrophobicContact SD-CB 4.44Å; L505-Q511 PolarHBondContact O-NE2 2.93Å; A508-Q511 HydrophobicContact CB-CB 4.43Å; A508-Q511 HydrophobicContact CB-CG 4.43Å; A508-Q511 WeakPolarHBondContact O-CB 3.22Å; A508-Q511 PolarHBondContact O-N 3.16Å
512	F	96.8	Very high	93.6	Very high	31 Å²	31	30.1 Å²	30.1	14%	0.136	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	165.1	178.3	78.1	-85.8	0	0	0	111.7	Y481 L482 F486 Y495 S509 Q510	Y481-F512 PolarHBondContact OH-O 2.87Å; L482-F512 HydrophobicContact CB-CB 4.41Å; L482-F512 CarbonylContact O-C 3.57Å; L482-F512 WeakPolarHBondContact O-CA 3.24Å; F486-F512 HydrophobicContact CD2-CD2 4.46Å; F486-F512 HydrophobicContact CD2-CE2 4.18Å; F486-F512 HydrophobicContact CE1-CD2 4.27Å; F486-F512 AromaticContact CE2-CD2 3.36Å; F486-F512 HydrophobicContact CE2-CD2 3.36Å; F486-F512 AromaticContact CE2-CE2 3.14Å; F486-F512 HydrophobicContact CE2-CE2 3.14Å; F486-F512 HydrophobicContact CE2-CG 4.22Å; F486-F512 AromaticContact CE2-CZ 3.81Å; F486-F512 HydrophobicContact CE2-CZ 3.81Å; F486-F512 HydrophobicContact CZ-CB 4.35Å; F486-F512 HydrophobicContact CZ-CD1 4.38Å; F486-F512 AromaticContact CZ-CD2 3.23Å; F486-F512 HydrophobicContact CZ-CD2 3.23Å; F486-F512 AromaticContact CZ-CE2 3.55Å; F486-F512 HydrophobicContact CZ-CE2 3.55Å; F486-F512 AromaticContact CZ-CG 3.72Å; F486-F512 HydrophobicContact CZ-CG 3.72Å; F486-F512 HydrophobicContact CZ-CZ 4.2Å; Y495-F512 HydrophobicContact CD2-CB 3.96Å; Y495-F512 HydrophobicContact CD2-CD1 4.13Å; Y495-F512 HydrophobicContact CD2-CG 4.18Å; Y495-F512 HydrophobicContact CE2-CB 4Å; Y495-F512 AromaticContact CE2-CD1 3.34Å; Y495-F512 HydrophobicContact CE2-CD1 3.34Å; Y495-F512 HydrophobicContact CE2-CE1 4.06Å; Y495-F512 AromaticContact CE2-CG 3.84Å; Y495-F512 HydrophobicContact CE2-CG 3.84Å; Y495-F512 AromaticContact CZ-CD1 3.61Å; Y495-F512 AromaticContact CZ-CE1 3.84Å; Y495-F512 WeakPolarHBondContact OH-CE1 3.44Å; S509-F512 VanDerWaalsContact O-CD1 3.27Å; S509-F512 WeakPolarHBondContact O-CD1 3.4Å; S509-F512 WeakPolarHBondContact O-CE1 3.42Å; Q510-F512 VanDerWaalsContact C-N 3.26Å; Q510-F512 PolarHBondContact O-N 3.16Å
513	R	94.8	Very high	93.3	Very high	13 Å²	13	32.2 Å²	32.2	5%	0.049	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	119.1	166.2	178.7	53.7	165.6	-179.6	-1.8	109.4	Y112 E379 Y481 L482 V483 C484 W553	Y112-R513 VanDerWaalsContact CE1-NH1 3.26Å; Y112-R513 PolarHBondContact OH-NH1 3.08Å; Y112-R513 VanDerWaalsContact OH-NH1 3.07Å; E379-R513 HydrophobicContact CB-CB 4.47Å; E379-R513 HydrophobicContact CB-CG 3.86Å; E379-R513 HydrophobicContact CG-CG 3.59Å; E379-R513 IonicContact OE1-CZ 2.64Å; E379-R513 IonicContact OE1-NE 2.73Å; E379-R513 PolarHBondContact OE1-NE 2.94Å; E379-R513 IonicContact OE1-NH2 3.7Å; E379-R513 PolarHBondContact OE1-NH2 2.85Å; E379-R513 IonicContact OE2-NE 3.28Å; Y481-R513 HydrophobicContact CE1-CB 3.87Å; L482-R513 PolarHBondContact O-N 3.05Å; V483-R513 CarbonylContact C-O 3.23Å; V483-R513 VanDerWaalsContact CA-O 3.29Å; V483-R513 WeakPolarHBondContact CA-O 3.38Å; V483-R513 HydrophobicContact CG1-CB 4.29Å; V483-R513 HydrophobicContact CG1-CG 4.31Å; V483-R513 HydrophobicContact CG2-CB 4.27Å; C484-R513 PolarHBondContact N-O 3.48Å; R513-W553 VanDerWaalsContact NH1-CZ3 3.32Å
514	S	94.4	Very high	93.4	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	136.7	169.1	-176.9	0	0	0	0	109.9	C484 F486 D516 D517 W553	C484-S514 CarbonylContact O-C 3.6Å; C484-S514 VanDerWaalsContact O-CA 3.24Å; C484-S514 WeakPolarHBondContact O-CA 3.26Å; F486-S514 WeakPolarHBondContact CB-OG 3.22Å; F486-S514 VanDerWaalsContact CD2-CB 3.44Å; F486-S514 PolarHBondContact N-OG 3.21Å; S514-D516 PolarHBondContact OG-N 3.37Å; S514-D516 PolarHBondContact OG-OD1 3.35Å; S514-D517 WeakPolarHBondContact CB-O 3.46Å; S514-D517 PolarHBondContact OG-O 3.29Å; S514-W553 PolarHBondContact O-NE1 2.95Å
515	L	92.5	Very high	93.4	Very high	23 Å²	23	28.5 Å²	28.5	12%	0.12	15%	0.152	C	C	.	.	S	Bend	trans	-86.4	-11	176.9	-60.2	-174.9	0	0	0	113.1	H371 E375 Y376 E379 V483 C484 T485	H371-L515 HydrophobicContact CB-CD1 4.01Å; H371-L515 PolarHBondContact CE1-O 3.24Å; E375-L515 HydrophobicContact CB-CD1 4.05Å; Y376-L515 HydrophobicContact CD1-CD1 3.69Å; Y376-L515 HydrophobicContact CD2-CD1 3.84Å; Y376-L515 HydrophobicContact CE1-CD1 3.63Å; Y376-L515 HydrophobicContact CE1-CG 4.47Å; Y376-L515 HydrophobicContact CE2-CD1 3.76Å; Y376-L515 HydrophobicContact CG-CD1 3.79Å; E379-L515 HydrophobicContact CG-CD2 4.03Å; V483-L515 HydrophobicContact CG1-CD2 4.3Å; V483-L515 HydrophobicContact CG1-CG 4.47Å; C484-L515 PolarHBondContact O-N 3.18Å; T485-L515 HydrophobicContact CG2-CB 4.3Å
516	D	89.4	Confident	93.2	Very high	34 Å²	34	31.8 Å²	31.8	18%	0.182	18%	0.175	C	C	.	.	S	Bend	trans	-126.7	-97.1	-179.8	57.7	3.2	0	0	0	111.6	T485 F486 S487 S514 W553	T485-D516 VanDerWaalsContact C-OD1 3.3Å; T485-D516 WeakPolarHBondContact CA-OD1 3.39Å; T485-D516 VanDerWaalsContact CB-CG 3.48Å; T485-D516 WeakPolarHBondContact CB-OD1 3.44Å; T485-D516 WeakPolarHBondContact CB-OD2 3.19Å; T485-D516 HydrophobicContact CG2-CB 4.4Å; T485-D516 WeakPolarHBondContact CG2-OD2 3.31Å; F486-D516 PolarHBondContact N-OD1 2.94Å; S487-D516 WeakPolarHBondContact CB-OD2 3.32Å; S487-D516 PolarHBondContact N-OD1 3.39Å; S487-D516 PolarHBondContact OG-OD2 3.16Å; S514-D516 PolarHBondContact OG-N 3.37Å; S514-D516 PolarHBondContact OG-OD1 3.35Å; D516-W553 PolarHBondContact O-NE1 3.35Å
517	D	88.6	Confident	92.9	Very high	58 Å²	58	33 Å²	33	31%	0.31	18%	0.183	S	C	.	.	P	Polyproline II helix	trans	-77.2	159.7	-172.3	-67.8	-42.6	0	0	0	112	F486 S514 Y520	F486-D517 HydrophobicContact CB-CB 4.25Å; S514-D517 WeakPolarHBondContact CB-O 3.46Å; S514-D517 PolarHBondContact OG-O 3.29Å; D517-Y520 HydrophobicContact CB-CD1 4.32Å; D517-Y520 HydrophobicContact CB-CE1 3.97Å
518	I	90.7	Very high	92.7	Very high	32 Å²	32	32.5 Å²	32.5	16%	0.164	18%	0.181	C	C	.	.	P	Polyproline II helix	trans	-71.3	165.7	158.4	58.6	158.7	0	0	0	110.1	Y520 Y529 F548 N551	I518-Y520 WeakPolarHBondContact O-CD1 3.45Å; I518-Y520 PolarHBondContact O-N 2.99Å; I518-Y529 HydrophobicContact CD1-CE2 4.41Å; I518-F548 HydrophobicContact CD1-CD1 3.68Å; I518-F548 HydrophobicContact CD1-CE1 4.29Å; I518-F548 HydrophobicContact CG2-CD1 4.4Å; I518-F548 HydrophobicContact CG2-CE1 3.94Å; I518-N551 HydrophobicContact CG2-CB 4.05Å
519	Y	94.2	Very high	92.6	Very high	37 Å²	37	35 Å²	35	15%	0.145	19%	0.191	C	C	.	.	P	Polyproline II helix	trans	-62.7	135.5	175.3	174.5	-90.6	0	0	0	110.6	F320 V321 F486 R492 Y495 E496	F320-Y519 AromaticContact CD1-CE1 3.96Å; F320-Y519 HydrophobicContact CD1-CE1 3.96Å; F320-Y519 HydrophobicContact CE1-CE1 4.03Å; F320-Y519 WeakPolarHBondContact CE1-OH 2.92Å; V321-Y519 HydrophobicContact CG1-CE2 4.38Å; V321-Y519 HydrophobicContact CG2-CD1 3.73Å; V321-Y519 HydrophobicContact CG2-CD2 4.48Å; V321-Y519 HydrophobicContact CG2-CE1 3.52Å; V321-Y519 HydrophobicContact CG2-CE2 4.28Å; V321-Y519 HydrophobicContact CG2-CG 4.21Å; F486-Y519 HydrophobicContact CZ-CD2 4.46Å; R492-Y519 HydrophobicContact CB-CE2 4.45Å; R492-Y519 HydrophobicContact CG-CD2 4.45Å; R492-Y519 HydrophobicContact CG-CE2 4.46Å; Y495-Y519 AromaticContact CD1-CD2 3.54Å; Y495-Y519 HydrophobicContact CD1-CD2 3.54Å; Y495-Y519 AromaticContact CD1-CE2 3.92Å; Y495-Y519 HydrophobicContact CD1-CE2 3.92Å; Y495-Y519 HydrophobicContact CD1-CG 4.33Å; Y495-Y519 AromaticContact CE1-CD2 3.67Å; Y495-Y519 HydrophobicContact CE1-CD2 3.67Å; Y495-Y519 HydrophobicContact CE1-CE2 4.24Å; Y495-Y519 HydrophobicContact CE1-CG 4Å; E496-Y519 HydrophobicContact CG-CE2 3.97Å; E496-Y519 WeakPolarHBondContact OE1-CE2 3.29Å; E496-Y519 PolarHBondContact OE1-OH 3.26Å
520	Y	94.5	Very high	92.6	Very high	69 Å²	69	38.4 Å²	38.4	27%	0.271	21%	0.207	S	C	.	.			trans	-150.5	152.3	171	68.5	-80.8	0	0	0	110	R492 D517 I518	R492-Y520 WeakPolarHBondContact CD-O 3.27Å; R492-Y520 PolarHBondContact NE-O 3.25Å; R492-Y520 VanDerWaalsContact NH1-CE2 3.3Å; R492-Y520 PolarHBondContact NH1-OH 3.18Å; D517-Y520 HydrophobicContact CB-CD1 4.32Å; D517-Y520 HydrophobicContact CB-CE1 3.97Å; I518-Y520 WeakPolarHBondContact O-CD1 3.45Å; I518-Y520 PolarHBondContact O-N 2.99Å
521	F	95.2	Very high	92.6	Very high	3 Å²	3	36 Å²	36	1%	0.013	20%	0.196	C	C	.	.			trans	-90.7	129.5	167.2	-163.2	-84	0	0	0	109.1	H219 H223 I290 P301 F320 I324 G523 Q524	H219-F521 HydrophobicContact CB-CE2 4.45Å; H219-F521 HydrophobicContact CB-CZ 4.1Å; H219-F521 AromaticContact CD2-CE2 3.63Å; H219-F521 WeakPolarHBondContact O-CZ 3.45Å; H223-F521 HydrophobicContact CB-CE1 4.09Å; H223-F521 HydrophobicContact CB-CZ 4.14Å; I290-F521 HydrophobicContact CD1-CD1 3.8Å; I290-F521 HydrophobicContact CD1-CE1 3.76Å; P301-F521 HydrophobicContact CB-CB 3.98Å; P301-F521 HydrophobicContact CB-CD1 3.64Å; P301-F521 HydrophobicContact CB-CE1 4.24Å; P301-F521 HydrophobicContact CB-CG 3.79Å; P301-F521 HydrophobicContact CG-CD1 3.87Å; P301-F521 HydrophobicContact CG-CE1 3.94Å; P301-F521 HydrophobicContact CG-CG 4.31Å; P301-F521 HydrophobicContact CG-CZ 4.41Å; F320-F521 HydrophobicContact CE1-CB 3.91Å; F320-F521 HydrophobicContact CE1-CD2 4.08Å; F320-F521 HydrophobicContact CE1-CG 4.32Å; F320-F521 HydrophobicContact CZ-CB 4.13Å; F320-F521 AromaticContact CZ-CD2 3.86Å; F320-F521 HydrophobicContact CZ-CD2 3.86Å; F320-F521 HydrophobicContact CZ-CG 4.13Å; I324-F521 HydrophobicContact CD1-CE2 4Å; I324-F521 HydrophobicContact CD1-CZ 4.49Å; I324-F521 HydrophobicContact CG1-CD2 4Å; I324-F521 HydrophobicContact CG1-CE2 3.56Å; I324-F521 HydrophobicContact CG1-CZ 4.49Å; F521-G523 PolarHBondContact O-N 2.83Å; F521-Q524 HydrophobicContact CB-CB 4.14Å; F521-Q524 WeakPolarHBondContact O-CB 3.22Å; F521-Q524 WeakPolarHBondContact O-CG 3.42Å; F521-Q524 PolarHBondContact O-N 3.41Å
522	G	92.1	Very high	92.6	Very high	22 Å²	22	36.1 Å²	36.1	23%	0.227	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.7	123.6	-176.7	0	0	0	0	0	111.7	I290 Q524	I290-G522 WeakPolarHBondContact CG2-O 3.34Å; G522-Q524 VanDerWaalsContact C-N 3.31Å
523	G	90	Very high	92.4	Very high	45 Å²	45	37.5 Å²	37.5	46%	0.464	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	76.1	14.3	-177.3	0	0	0	0	0	115	I290 F521	I290-G523 WeakPolarHBondContact CG1-O 3.42Å; F521-G523 PolarHBondContact O-N 2.83Å
524	Q	93	Very high	92.3	Very high	66 Å²	66	39.1 Å²	39.1	31%	0.308	22%	0.218	S	C	.	.	P	Polyproline II helix	trans	-55.8	155.8	176	67.3	179.5	27.7	0	0	113.9	P301 F521 G522	P301-Q524 HydrophobicContact CB-CB 4.41Å; P301-Q524 CarbonylContact O-C 3.52Å; P301-Q524 VanDerWaalsContact O-CA 3.22Å; P301-Q524 WeakPolarHBondContact O-CA 3.39Å; P301-Q524 WeakPolarHBondContact O-CB 3.14Å; F521-Q524 HydrophobicContact CB-CB 4.14Å; F521-Q524 WeakPolarHBondContact O-CB 3.22Å; F521-Q524 WeakPolarHBondContact O-CG 3.42Å; F521-Q524 PolarHBondContact O-N 3.41Å; G522-Q524 VanDerWaalsContact C-N 3.31Å
525	Q	92.1	Very high	92.3	Very high	48 Å²	48	39.5 Å²	39.5	22%	0.224	22%	0.221	C	C	.	.	P	Polyproline II helix	trans	-64.7	164.5	167.8	71.3	172.1	-56.2	0	0	111.5	D298 V300 P301 S527 L580	D298-Q525 PolarHBondContact O-NE2 3.22Å; V300-Q525 HydrophobicContact CB-CB 4.23Å; V300-Q525 HydrophobicContact CB-CG 4.45Å; V300-Q525 HydrophobicContact CG1-CB 4.13Å; V300-Q525 PolarHBondContact O-NE2 3.13Å; P301-Q525 WeakPolarHBondContact O-CG 3.33Å; P301-Q525 PolarHBondContact O-N 3.44Å; Q525-S527 PolarHBondContact O-N 3.41Å; Q525-L580 HydrophobicContact CG-CD1 3.95Å
526	S	88.4	Confident	92.2	Very high	72 Å²	72	47.4 Å²	47.4	50%	0.503	25%	0.254	S	S	.	.	P	Polyproline II helix	trans	-62.3	123.3	176.8	-161.4	0	0	0	0	111	H547	S526-H547 PolarHBondContact OG-CE1 3.44Å; S526-H547 VanDerWaalsContact OG-CE1 3.29Å
527	S	89.5	Confident	92.3	Very high	26 Å²	26	53.6 Å²	53.6	18%	0.182	28%	0.282	C	S	.	.			trans	-125.1	81.6	176.4	-172.2	0	0	0	0	109.1	Q525	Q525-S527 PolarHBondContact O-N 3.41Å
528	P	89.2	Confident	92.5	Very high	12 Å²	12	51.8 Å²	51.8	8%	0.078	27%	0.272	C	S	.	.	P	Polyproline II helix	trans	-70	140.4	-177.2	29.4	-35.3	0	0	0	111.1	L545 V546 L562 R578	P528-L545 HydrophobicContact CB-CB 4.09Å; P528-L545 HydrophobicContact CG-CB 4.46Å; P528-L545 HydrophobicContact CG-CD1 4.16Å; P528-V546 CarbonylContact C-O 3.55Å; P528-V546 VanDerWaalsContact CA-O 3.32Å; P528-V546 WeakPolarHBondContact CA-O 3.34Å; P528-L562 HydrophobicContact CB-CD1 3.6Å; P528-L562 HydrophobicContact CB-CD2 3.83Å; P528-L562 HydrophobicContact CB-CG 4.38Å; P528-L562 HydrophobicContact CG-CD2 3.97Å; P528-R578 WeakPolarHBondContact O-CD 3.34Å
529	Y	94.3	Very high	92.6	Very high	52 Å²	52	55.4 Å²	55.4	20%	0.204	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77	157.9	170.5	-80.2	-127.5	0	0	0	109.3	I518 L545 V546 F548 F575 S576	I518-Y529 HydrophobicContact CD1-CE2 4.41Å; Y529-L545 CarbonylContact O-C 3.26Å; Y529-L545 WeakPolarHBondContact O-CA 3.21Å; Y529-V546 PolarHBondContact N-O 3.3Å; Y529-V546 PolarHBondContact O-N 2.95Å; Y529-F548 HydrophobicContact CD1-CB 4.13Å; Y529-F548 AromaticContact CD1-CD2 3.57Å; Y529-F548 HydrophobicContact CD1-CD2 3.57Å; Y529-F548 HydrophobicContact CD1-CE2 4.17Å; Y529-F548 AromaticContact CD1-CG 3.98Å; Y529-F548 HydrophobicContact CD1-CG 3.98Å; Y529-F548 HydrophobicContact CD2-CB 3.46Å; Y529-F548 VanDerWaalsContact CD2-CB 3.46Å; Y529-F548 HydrophobicContact CD2-CD2 4.47Å; Y529-F548 HydrophobicContact CD2-CG 4.17Å; Y529-F548 HydrophobicContact CE1-CB 4.39Å; Y529-F548 AromaticContact CE1-CD2 3.93Å; Y529-F548 HydrophobicContact CE1-CD2 3.93Å; Y529-F548 HydrophobicContact CE1-CE2 4.31Å; Y529-F548 HydrophobicContact CE1-CG 4.06Å; Y529-F548 HydrophobicContact CE2-CB 3.77Å; Y529-F548 HydrophobicContact CE2-CG 4.24Å; Y529-F548 HydrophobicContact CG-CB 3.67Å; Y529-F548 AromaticContact CG-CD2 3.89Å; Y529-F548 HydrophobicContact CG-CD2 3.89Å; Y529-F548 HydrophobicContact CG-CG 4.04Å; Y529-F575 HydrophobicContact CD1-CB 4.23Å; Y529-S576 CarbonylContact C-O 3.53Å; Y529-S576 WeakPolarHBondContact CA-O 3.4Å; Y529-S576 WeakPolarHBondContact CB-O 3.5Å; Y529-S576 VanDerWaalsContact CD1-C 3.44Å
530	E	95.1	Very high	92.6	Very high	74 Å²	74	53.8 Å²	53.8	35%	0.346	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	135	174	-168.9	180	167.4	0	0	110	I532 L545 F575 S576 R578	E530-I532 PolarHBondContact O-N 2.81Å; E530-L545 HydrophobicContact CB-CD2 4.48Å; E530-F575 CarbonylContact O-C 3.6Å; E530-F575 WeakPolarHBondContact O-CA 3.44Å; E530-S576 PolarHBondContact N-O 2.77Å; E530-S576 PolarHBondContact O-N 3.11Å; E530-R578 HydrophobicContact CB-CG 4.04Å
531	T	95	Very high	92.6	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70	120.6	165.5	-55.9	0	0	0	0	108.3	I533 L540 S541 P542 G543 D544 F575	T531-I533 VanDerWaalsContact CG2-O 3.22Å; T531-I533 WeakPolarHBondContact CG2-O 3.49Å; T531-L540 HydrophobicContact CG2-CB 4.09Å; T531-S541 WeakPolarHBondContact CB-O 3.47Å; T531-S541 WeakPolarHBondContact CG2-O 3.36Å; T531-P542 CarbonylContact O-C 3.59Å; T531-P542 WeakPolarHBondContact O-CA 3.45Å; T531-G543 PolarHBondContact O-N 3.39Å; T531-D544 PolarHBondContact N-O 3Å; T531-D544 PolarHBondContact OG1-O 3.05Å; T531-F575 HydrophobicContact CG2-CE1 4.44Å
532	I	93.9	Very high	92.6	Very high	41 Å²	41	57 Å²	57	21%	0.21	32%	0.317	C	S	.	.			trans	-107.8	-17.4	178.7	57.3	162.5	0	0	0	112.7	Y106 E530 K574	Y106-I532 WeakPolarHBondContact OH-CD1 3.49Å; E530-I532 PolarHBondContact O-N 2.81Å; I532-K574 WeakPolarHBondContact CG1-O 3.43Å; I532-K574 PolarHBondContact N-O 2.99Å
533	I	93.2	Very high	92.7	Very high	61 Å²	61	57.9 Å²	57.9	31%	0.313	33%	0.326	S	S	.	.	S	Bend	trans	-130.4	132.3	176.3	-63.3	171.3	0	0	0	107.9	Y106 T531 F573 K574	Y106-I533 WeakPolarHBondContact OH-CD1 3.28Å; T531-I533 VanDerWaalsContact CG2-O 3.22Å; T531-I533 WeakPolarHBondContact CG2-O 3.49Å; I533-F573 HydrophobicContact CD1-CD2 3.91Å; I533-F573 HydrophobicContact CD1-CE2 3.88Å; I533-K574 HydrophobicContact CB-CB 4.15Å; I533-K574 HydrophobicContact CB-CG 4.03Å; I533-K574 HydrophobicContact CG2-CD 4.38Å; I533-K574 HydrophobicContact CG2-CG 4.18Å; I533-K574 PolarHBondContact N-O 3.45Å
534	S	94	Very high	92.9	Very high	46 Å²	46	57.5 Å²	57.5	32%	0.322	31%	0.313	S	S	.	.			trans	-59.1	140.3	-179.4	-178.3	0	0	0	0	112.5	L540 K574	S534-L540 WeakPolarHBondContact CA-O 3.46Å; S534-L540 PolarHBondContact OG-O 2.94Å; S534-K574 PolarHBondContact O-NZ 3.47Å; S534-K574 VanDerWaalsContact O-NZ 3.14Å
535	D	92.7	Very high	93	Very high	9 Å²	9	56.8 Å²	56.8	5%	0.048	31%	0.311	C	S	.	.	B	Isolated β-bridge	trans	-124.1	87.5	168.2	-163.5	25.7	0	0	0	110.6	E537 N538 D539 L540 A570 K574	D535-E537 VanDerWaalsContact C-N 3.26Å; D535-E537 PolarHBondContact O-N 2.92Å; D535-N538 CarbonylContact O-C 3.54Å; D535-N538 PolarHBondContact O-N 3.07Å; D535-N538 VanDerWaalsContact O-N 3.14Å; D535-N538 PolarHBondContact OD2-ND2 3.41Å; D535-D539 PolarHBondContact O-N 2.94Å; D535-D539 VanDerWaalsContact O-N 3.1Å; D535-L540 HydrophobicContact CB-CB 4.08Å; D535-L540 HydrophobicContact CB-CD1 4.34Å; D535-L540 PolarHBondContact N-O 2.91Å; D535-L540 PolarHBondContact O-N 3.2Å; D535-A570 VanDerWaalsContact OD2-CB 3.25Å; D535-A570 WeakPolarHBondContact OD2-CB 3.32Å; D535-K574 HydrophobicContact CB-CD 3.86Å; D535-K574 VanDerWaalsContact CG-NZ 3.29Å; D535-K574 IonicContact OD1-NZ 3.45Å; D535-K574 PolarHBondContact OD1-NZ 3.37Å
536	K	91.8	Very high	93.2	Very high	189 Å²	189	54.5 Å²	54.5	82%	0.822	30%	0.301	S	S	*	.	G	3₁₀ helix	trans	-61.4	-32.7	-175	-65.8	-176.1	179.6	179.6	0	113.3	N538 D539	K536-N538 PolarHBondContact O-N 3.16Å; K536-D539 PolarHBondContact O-N 2.95Å
537	E	91.5	Very high	93.4	Very high	163 Å²	163	54 Å²	54	76%	0.762	29%	0.29	S	S	*	.	G	3₁₀ helix	trans	-61.4	-34.4	178.3	-174.6	175.9	174.4	0	0	111.9	D535	D535-E537 VanDerWaalsContact C-N 3.26Å; D535-E537 PolarHBondContact O-N 2.92Å
538	N	92.2	Very high	93.4	Very high	21 Å²	21	54.2 Å²	54.2	11%	0.112	29%	0.288	C	S	.	.	G	3₁₀ helix	trans	-107.4	8.2	-176.2	-71.2	-52.5	0	0	0	114	D535 K536 L540 V568 M569	D535-N538 CarbonylContact O-C 3.54Å; D535-N538 PolarHBondContact O-N 3.07Å; D535-N538 VanDerWaalsContact O-N 3.14Å; D535-N538 PolarHBondContact OD2-ND2 3.41Å; K536-N538 PolarHBondContact O-N 3.16Å; N538-L540 VanDerWaalsContact C-N 3.31Å; N538-L540 HydrophobicContact CB-CD1 4.09Å; N538-L540 HydrophobicContact CB-CG 4.22Å; N538-L540 PolarHBondContact O-N 3.39Å; N538-V568 HydrophobicContact CB-CB 4.29Å; N538-V568 HydrophobicContact CB-CG1 4.38Å; N538-V568 HydrophobicContact CB-CG2 3.99Å; N538-V568 WeakPolarHBondContact OD1-CB 3.32Å; N538-V568 WeakPolarHBondContact OD1-CG1 3.42Å; N538-M569 PolarHBondContact ND2-O 2.82Å
539	D	92.6	Very high	93.3	Very high	107 Å²	107	57.4 Å²	57.4	57%	0.572	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.3	42.4	-177.7	-167.5	39.9	0	0	0	113.6	D535 K536 K561	D535-D539 PolarHBondContact O-N 2.94Å; D535-D539 VanDerWaalsContact O-N 3.1Å; K536-D539 PolarHBondContact O-N 2.95Å; D539-K561 PolarHBondContact O-NZ 3.01Å
540	L	93.8	Very high	92.8	Very high	3 Å²	3	55.3 Å²	55.3	2%	0.016	30%	0.296	C	S	.	.	B	Isolated β-bridge	trans	-106.8	124.6	175.4	-59.2	169	0	0	0	110.3	T531 S534 D535 N538 V546 V559 K561 V568 A570 F575	T531-L540 HydrophobicContact CG2-CB 4.09Å; S534-L540 WeakPolarHBondContact CA-O 3.46Å; S534-L540 PolarHBondContact OG-O 2.94Å; D535-L540 HydrophobicContact CB-CB 4.08Å; D535-L540 HydrophobicContact CB-CD1 4.34Å; D535-L540 PolarHBondContact N-O 2.91Å; D535-L540 PolarHBondContact O-N 3.2Å; N538-L540 VanDerWaalsContact C-N 3.31Å; N538-L540 HydrophobicContact CB-CD1 4.09Å; N538-L540 HydrophobicContact CB-CG 4.22Å; N538-L540 PolarHBondContact O-N 3.39Å; L540-V546 HydrophobicContact CD2-CG1 3.97Å; L540-V559 HydrophobicContact CD1-CG2 4.12Å; L540-K561 HydrophobicContact CD2-CB 3.95Å; L540-K561 HydrophobicContact CD2-CD 4.04Å; L540-K561 HydrophobicContact CD2-CG 4.27Å; L540-V568 HydrophobicContact CD1-CG2 4.35Å; L540-A570 HydrophobicContact CD1-CB 4.36Å; L540-F575 HydrophobicContact CD1-CE1 3.92Å; L540-F575 HydrophobicContact CD1-CZ 3.73Å
541	S	95.4	Very high	92.3	Very high	57 Å²	57	52.3 Å²	52.3	40%	0.399	28%	0.282	S	S	.	.			trans	-113	152.3	178.3	-67.3	0	0	0	0	111.2	T531 G543 D544	T531-S541 WeakPolarHBondContact CB-O 3.47Å; T531-S541 WeakPolarHBondContact CG2-O 3.36Å; S541-G543 PolarHBondContact O-N 3.46Å; S541-D544 PolarHBondContact N-OD2 3.29Å; S541-D544 VanDerWaalsContact O-CB 3.25Å; S541-D544 WeakPolarHBondContact O-CB 3.4Å; S541-D544 PolarHBondContact O-N 3.4Å
542	P	95.4	Very high	91.5	Very high	83 Å²	83	56.8 Å²	56.8	54%	0.539	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.7	132.2	173.3	-27.6	36.2	0	0	0	112.1	T531	T531-P542 CarbonylContact O-C 3.59Å; T531-P542 WeakPolarHBondContact O-CA 3.45Å
543	G	93.3	Very high	90.9	Very high	41 Å²	41	57 Å²	57	42%	0.423	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	92.8	-14.6	-174.4	0	0	0	0	0	114.9	T531 S541 L545	T531-G543 PolarHBondContact O-N 3.39Å; S541-G543 PolarHBondContact O-N 3.46Å; G543-L545 PolarHBondContact O-N 2.84Å
544	D	95	Very high	90.5	Very high	36 Å²	36	56.6 Å²	56.6	19%	0.193	30%	0.3	C	S	.	.			trans	-63.4	131.4	172.6	-77.9	-28.3	0	0	0	110.5	T531 S541 K561	T531-D544 PolarHBondContact N-O 3Å; T531-D544 PolarHBondContact OG1-O 3.05Å; S541-D544 PolarHBondContact N-OD2 3.29Å; S541-D544 VanDerWaalsContact O-CB 3.25Å; S541-D544 WeakPolarHBondContact O-CB 3.4Å; S541-D544 PolarHBondContact O-N 3.4Å; D544-K561 VanDerWaalsContact CG-CE 3.47Å; D544-K561 VanDerWaalsContact CG-NZ 3.25Å; D544-K561 WeakPolarHBondContact OD1-CE 3.36Å; D544-K561 IonicContact OD1-NZ 3.89Å; D544-K561 PolarHBondContact OD1-NZ 2.62Å; D544-K561 WeakPolarHBondContact OD2-CE 3.29Å; D544-K561 IonicContact OD2-NZ 3.11Å; D544-K561 PolarHBondContact OD2-NZ 2.87Å
545	L	95.5	Very high	90.2	Very high	52 Å²	52	54.5 Å²	54.5	27%	0.272	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	136.6	174.9	-62.4	-176.3	0	0	0	110.6	P528 Y529 E530 G543 L562	P528-L545 HydrophobicContact CB-CB 4.09Å; P528-L545 HydrophobicContact CG-CB 4.46Å; P528-L545 HydrophobicContact CG-CD1 4.16Å; Y529-L545 CarbonylContact O-C 3.26Å; Y529-L545 WeakPolarHBondContact O-CA 3.21Å; E530-L545 HydrophobicContact CB-CD2 4.48Å; G543-L545 PolarHBondContact O-N 2.84Å; L545-L562 HydrophobicContact CB-CB 4.23Å; L545-L562 HydrophobicContact CB-CD1 4.06Å; L545-L562 HydrophobicContact CB-CD2 3.79Å; L545-L562 HydrophobicContact CB-CG 4.23Å; L545-L562 HydrophobicContact CD1-CD2 4.14Å; L545-L562 WeakPolarHBondContact O-CD1 3.26Å; L545-L562 PolarHBondContact O-N 2.62Å
546	V	94.8	Very high	90.1	Very high	0 Å²	0	58 Å²	58	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	142.7	178.8	-52.5	0	0	0	0	112	P528 Y529 L540 F548 V559 E560 F575	P528-V546 CarbonylContact C-O 3.55Å; P528-V546 VanDerWaalsContact CA-O 3.32Å; P528-V546 WeakPolarHBondContact CA-O 3.34Å; Y529-V546 PolarHBondContact N-O 3.3Å; Y529-V546 PolarHBondContact O-N 2.95Å; L540-V546 HydrophobicContact CD2-CG1 3.97Å; V546-F548 PolarHBondContact O-N 3.46Å; V546-V559 HydrophobicContact CB-CB 4.18Å; V546-V559 HydrophobicContact CG2-CB 4.09Å; V546-V559 HydrophobicContact CG2-CG1 4.14Å; V546-E560 CarbonylContact C-O 3.59Å; V546-E560 WeakPolarHBondContact CA-O 3.22Å; V546-E560 WeakPolarHBondContact CB-O 3.27Å; V546-F575 HydrophobicContact CG1-CE1 4.12Å; V546-F575 HydrophobicContact CG2-CD1 3.64Å; V546-F575 HydrophobicContact CG2-CE1 3.92Å; V546-F575 HydrophobicContact CG2-CG 4.46Å
547	H	92.6	Very high	90.1	Very high	62 Å²	62	49 Å²	49	29%	0.287	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	120.6	160.1	-60.9	-62.2	0	0	0	108.2	S526 H549 V559 E560	S526-H547 PolarHBondContact OG-CE1 3.44Å; S526-H547 VanDerWaalsContact OG-CE1 3.29Å; H547-H549 PolarHBondContact O-N 2.84Å; H547-V559 CarbonylContact O-C 3.58Å; H547-V559 VanDerWaalsContact O-CA 3.3Å; H547-V559 WeakPolarHBondContact O-CA 3.2Å; H547-E560 HydrophobicContact CB-CB 4.27Å; H547-E560 PolarHBondContact N-O 2.97Å; H547-E560 PolarHBondContact O-N 2.83Å
548	F	90.9	Very high	90.2	Very high	30 Å²	30	46.8 Å²	46.8	13%	0.132	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	98.8	179	-163	-75.9	0	0	0	108.8	I518 Y529 V546 G550 N551 A557 V559 F575	I518-F548 HydrophobicContact CD1-CD1 3.68Å; I518-F548 HydrophobicContact CD1-CE1 4.29Å; I518-F548 HydrophobicContact CG2-CD1 4.4Å; I518-F548 HydrophobicContact CG2-CE1 3.94Å; Y529-F548 HydrophobicContact CD1-CB 4.13Å; Y529-F548 AromaticContact CD1-CD2 3.57Å; Y529-F548 HydrophobicContact CD1-CD2 3.57Å; Y529-F548 HydrophobicContact CD1-CE2 4.17Å; Y529-F548 AromaticContact CD1-CG 3.98Å; Y529-F548 HydrophobicContact CD1-CG 3.98Å; Y529-F548 HydrophobicContact CD2-CB 3.46Å; Y529-F548 VanDerWaalsContact CD2-CB 3.46Å; Y529-F548 HydrophobicContact CD2-CD2 4.47Å; Y529-F548 HydrophobicContact CD2-CG 4.17Å; Y529-F548 HydrophobicContact CE1-CB 4.39Å; Y529-F548 AromaticContact CE1-CD2 3.93Å; Y529-F548 HydrophobicContact CE1-CD2 3.93Å; Y529-F548 HydrophobicContact CE1-CE2 4.31Å; Y529-F548 HydrophobicContact CE1-CG 4.06Å; Y529-F548 HydrophobicContact CE2-CB 3.77Å; Y529-F548 HydrophobicContact CE2-CG 4.24Å; Y529-F548 HydrophobicContact CG-CB 3.67Å; Y529-F548 AromaticContact CG-CD2 3.89Å; Y529-F548 HydrophobicContact CG-CD2 3.89Å; Y529-F548 HydrophobicContact CG-CG 4.04Å; V546-F548 PolarHBondContact O-N 3.46Å; F548-G550 VanDerWaalsContact CE1-C 3.45Å; F548-N551 HydrophobicContact CE1-CB 4.14Å; F548-N551 HydrophobicContact CZ-CB 4.3Å; F548-A557 HydrophobicContact CD2-CB 4.43Å; F548-A557 HydrophobicContact CE1-CB 4Å; F548-A557 HydrophobicContact CE2-CB 3.54Å; F548-A557 HydrophobicContact CZ-CB 3.29Å; F548-V559 HydrophobicContact CD2-CG1 3.87Å; F548-V559 HydrophobicContact CE2-CG1 4.28Å; F548-V559 HydrophobicContact CG-CG1 4.43Å; F548-F575 HydrophobicContact CD2-CB 4.1Å; F548-F575 HydrophobicContact CD2-CG 4.34Å; F548-F575 HydrophobicContact CE2-CB 3.98Å; F548-F575 HydrophobicContact CE2-CD2 4.09Å; F548-F575 HydrophobicContact CE2-CG 4.26Å
549	H	86.4	Confident	90.3	Very high	78 Å²	78	45.8 Å²	45.8	36%	0.361	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	-24.9	-174.2	-72.3	-89.1	0	0	0	112.8	H547 R558 E560	H547-H549 PolarHBondContact O-N 2.84Å; H549-R558 HydrophobicContact CB-CB 4.17Å; H549-R558 HydrophobicContact CB-CG 4.13Å; H549-R558 WeakPolarHBondContact CB-O 3.31Å; H549-R558 PolarHBondContact N-O 3.21Å; H549-E560 IonicContact CD2-OE2 3.45Å; H549-E560 IonicContact CE1-OE2 3.39Å; H549-E560 PolarHBondContact CE1-OE2 3Å; H549-E560 IonicContact NE2-OE2 3.09Å; H549-E560 PolarHBondContact NE2-OE2 2.97Å
550	G	84.4	Confident	90.4	Very high	9 Å²	9	42 Å²	42	9%	0.093	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	166.2	155.8	176.5	0	0	0	0	0	113.1	F548 A557 R558	F548-G550 VanDerWaalsContact CE1-C 3.45Å; G550-A557 VanDerWaalsContact O-CA 3.28Å; G550-A557 WeakPolarHBondContact O-CA 3.48Å; G550-A557 WeakPolarHBondContact O-CB 3.22Å; G550-R558 PolarHBondContact O-N 3.47Å
551	N	83.9	Confident	90.3	Very high	10 Å²	10	44.2 Å²	44.2	5%	0.053	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	122.1	169	-170.8	-28.2	0	0	0	107	E109 I518 F548 W553	E109-N551 PolarHBondContact OE1-ND2 3.24Å; I518-N551 HydrophobicContact CG2-CB 4.05Å; F548-N551 HydrophobicContact CE1-CB 4.14Å; F548-N551 HydrophobicContact CZ-CB 4.3Å; N551-W553 HydrophobicContact CB-CD2 4.1Å; N551-W553 HydrophobicContact CB-CE3 3.93Å; N551-W553 HydrophobicContact CB-CH2 4.28Å; N551-W553 HydrophobicContact CB-CZ2 4.34Å; N551-W553 HydrophobicContact CB-CZ3 4.06Å; N551-W553 VanDerWaalsContact CG-CE3 3.42Å; N551-W553 PolarHBondContact O-N 2.74Å; N551-W553 PolarHBondContact O-NE1 2.82Å; N551-W553 WeakPolarHBondContact OD1-CA 3.49Å; N551-W553 PolarHBondContact OD1-N 2.75Å
552	H	77.9	Confident	90.1	Very high	95 Å²	95	43.3 Å²	43.3	44%	0.44	22%	0.217	S	C	.	.			trans	-81.9	4.4	-179.5	-71.7	-152.6	0	0	0	112	N554 Y556 M569	H552-N554 WeakPolarHBondContact CB-OD1 3.18Å; H552-N554 PolarHBondContact O-N 3.3Å; H552-Y556 PolarHBondContact N-O 2.81Å; H552-M569 HydrophobicContact CB-CE 4.49Å; H552-M569 VanDerWaalsContact CE1-CE 3.46Å; H552-M569 WeakPolarHBondContact CE1-CE 3.17Å; H552-M569 WeakPolarHBondContact ND1-CE 3.33Å
553	W	82.2	Confident	89.7	Confident	44 Å²	44	47.5 Å²	47.5	17%	0.167	24%	0.235	C	C	.	.	S	Bend	trans	57.1	25.4	175.7	-49.7	118.9	0	0	0	114.4	Y112 R513 S514 D516 N551	Y112-W553 HydrophobicContact CD2-CE3 4.42Å; Y112-W553 HydrophobicContact CE2-CE3 4.09Å; Y112-W553 HydrophobicContact CE2-CZ3 4.28Å; R513-W553 VanDerWaalsContact NH1-CZ3 3.32Å; S514-W553 PolarHBondContact O-NE1 2.95Å; D516-W553 PolarHBondContact O-NE1 3.35Å; N551-W553 HydrophobicContact CB-CD2 4.1Å; N551-W553 HydrophobicContact CB-CE3 3.93Å; N551-W553 HydrophobicContact CB-CH2 4.28Å; N551-W553 HydrophobicContact CB-CZ2 4.34Å; N551-W553 HydrophobicContact CB-CZ3 4.06Å; N551-W553 VanDerWaalsContact CG-CE3 3.42Å; N551-W553 PolarHBondContact O-N 2.74Å; N551-W553 PolarHBondContact O-NE1 2.82Å; N551-W553 WeakPolarHBondContact OD1-CA 3.49Å; N551-W553 PolarHBondContact OD1-N 2.75Å
554	N	85.2	Confident	89.3	Confident	54 Å²	54	48 Å²	48	29%	0.289	23%	0.23	S	C	.	.	S	Bend	trans	-123.8	17.8	178.1	65.9	0.9	0	0	0	111.9	Y112 Q116 H552 Y556	Y112-N554 CarbonylContact O-C 3.35Å; Y112-N554 VanDerWaalsContact O-C 3.23Å; Y112-N554 WeakPolarHBondContact O-CA 3.4Å; Q116-N554 PolarHBondContact NE2-O 3Å; H552-N554 WeakPolarHBondContact CB-OD1 3.18Å; H552-N554 PolarHBondContact O-N 3.3Å; N554-Y556 VanDerWaalsContact C-N 3.34Å; N554-Y556 WeakPolarHBondContact OD1-CB 3.33Å; N554-Y556 PolarHBondContact OD1-N 3.05Å; N554-Y556 PolarHBondContact OD1-O 3.02Å
555	G	87.3	Confident	88.8	Confident	1 Å²	1	53.9 Å²	53.9	1%	0.01	26%	0.262	C	S	.	.	S	Bend	trans	87.1	-5.7	-174	0	0	0	0	0	114.7	P571 A572	G555-P571 CarbonylContact O-C 3.6Å; G555-P571 VanDerWaalsContact O-CA 3.3Å; G555-P571 WeakPolarHBondContact O-CA 3.42Å; G555-A572 PolarHBondContact O-N 2.86Å
556	Y	90.8	Very high	88.4	Confident	84 Å²	84	58 Å²	58	33%	0.329	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	148.4	175.8	-68.8	-95.4	0	0	0	112.3	H552 N554 A570 P571	H552-Y556 PolarHBondContact N-O 2.81Å; N554-Y556 VanDerWaalsContact C-N 3.34Å; N554-Y556 WeakPolarHBondContact OD1-CB 3.33Å; N554-Y556 PolarHBondContact OD1-N 3.05Å; N554-Y556 PolarHBondContact OD1-O 3.02Å; Y556-A570 CarbonylContact C-O 3.58Å; Y556-A570 WeakPolarHBondContact CA-O 3.38Å; Y556-P571 HydrophobicContact CD1-CG 4.3Å; Y556-P571 HydrophobicContact CE1-CG 3.91Å
557	A	91.8	Very high	88.3	Confident	0 Å²	0	62.8 Å²	62.8	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	150.3	170.3	0	0	0	0	0	110.1	F548 G550 V559 M569 A570 A572	F548-A557 HydrophobicContact CD2-CB 4.43Å; F548-A557 HydrophobicContact CE1-CB 4Å; F548-A557 HydrophobicContact CE2-CB 3.54Å; F548-A557 HydrophobicContact CZ-CB 3.29Å; G550-A557 VanDerWaalsContact O-CA 3.28Å; G550-A557 WeakPolarHBondContact O-CA 3.48Å; G550-A557 WeakPolarHBondContact O-CB 3.22Å; A557-V559 HydrophobicContact CB-CG1 4.21Å; A557-M569 WeakPolarHBondContact O-CA 3.33Å; A557-A570 PolarHBondContact N-O 3.04Å; A557-A570 PolarHBondContact O-N 2.82Å; A557-A572 HydrophobicContact CB-CB 3.82Å
558	R	93.2	Very high	88.4	Confident	115 Å²	115	60.6 Å²	60.6	43%	0.434	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	119.7	168.2	-171.2	177.1	-171.4	173.9	3.4	108.7	H549 G550 M569	H549-R558 HydrophobicContact CB-CB 4.17Å; H549-R558 HydrophobicContact CB-CG 4.13Å; H549-R558 WeakPolarHBondContact CB-O 3.31Å; H549-R558 PolarHBondContact N-O 3.21Å; G550-R558 PolarHBondContact O-N 3.47Å; R558-M569 HydrophobicContact CB-CE 4.49Å; R558-M569 HydrophobicContact CB-SD 3.75Å; R558-M569 HydrophobicContact CG-SD 4.03Å
559	V	94.2	Very high	88.5	Confident	0 Å²	0	62.8 Å²	62.8	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	157.2	-177.4	-59.6	0	0	0	0	111.6	L540 V546 H547 F548 A557 K567 V568 A570 F575	L540-V559 HydrophobicContact CD1-CG2 4.12Å; V546-V559 HydrophobicContact CB-CB 4.18Å; V546-V559 HydrophobicContact CG2-CB 4.09Å; V546-V559 HydrophobicContact CG2-CG1 4.14Å; H547-V559 CarbonylContact O-C 3.58Å; H547-V559 VanDerWaalsContact O-CA 3.3Å; H547-V559 WeakPolarHBondContact O-CA 3.2Å; F548-V559 HydrophobicContact CD2-CG1 3.87Å; F548-V559 HydrophobicContact CE2-CG1 4.28Å; F548-V559 HydrophobicContact CG-CG1 4.43Å; A557-V559 HydrophobicContact CB-CG1 4.21Å; V559-K567 CarbonylContact O-C 3.55Å; V559-K567 WeakPolarHBondContact O-CA 3.06Å; V559-V568 HydrophobicContact CG2-CG2 3.64Å; V559-V568 PolarHBondContact N-O 3.37Å; V559-V568 PolarHBondContact O-N 3.35Å; V559-A570 HydrophobicContact CG2-CB 4.14Å; V559-F575 HydrophobicContact CB-CZ 4.28Å; V559-F575 HydrophobicContact CG1-CD1 4.43Å; V559-F575 HydrophobicContact CG1-CD2 4.03Å; V559-F575 HydrophobicContact CG1-CE1 4.2Å; V559-F575 HydrophobicContact CG1-CE2 3.79Å; V559-F575 HydrophobicContact CG1-CG 4.35Å; V559-F575 HydrophobicContact CG1-CZ 3.89Å; V559-F575 HydrophobicContact CG2-CE1 4.16Å; V559-F575 HydrophobicContact CG2-CE2 4.2Å; V559-F575 HydrophobicContact CG2-CZ 3.65Å
560	E	94.1	Very high	88.8	Confident	27 Å²	27	59 Å²	59	13%	0.126	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	117.1	177.1	178.3	173	-154.1	0	0	109.3	V546 H547 H549 L562 K567	V546-E560 CarbonylContact C-O 3.59Å; V546-E560 WeakPolarHBondContact CA-O 3.22Å; V546-E560 WeakPolarHBondContact CB-O 3.27Å; H547-E560 HydrophobicContact CB-CB 4.27Å; H547-E560 PolarHBondContact N-O 2.97Å; H547-E560 PolarHBondContact O-N 2.83Å; H549-E560 IonicContact CD2-OE2 3.45Å; H549-E560 IonicContact CE1-OE2 3.39Å; H549-E560 PolarHBondContact CE1-OE2 3Å; H549-E560 IonicContact NE2-OE2 3.09Å; H549-E560 PolarHBondContact NE2-OE2 2.97Å; E560-L562 PolarHBondContact O-N 2.87Å; E560-K567 HydrophobicContact CB-CG 4.09Å; E560-K567 HydrophobicContact CG-CG 4.16Å; E560-K567 WeakPolarHBondContact OE2-CE 3.48Å
561	K	92.8	Very high	89.2	Confident	50 Å²	50	59.7 Å²	59.7	22%	0.217	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.2	131.7	178.9	-178.4	175.7	-179.2	157	0	109.7	D539 L540 D544 T564	D539-K561 PolarHBondContact O-NZ 3.01Å; L540-K561 HydrophobicContact CD2-CB 3.95Å; L540-K561 HydrophobicContact CD2-CD 4.04Å; L540-K561 HydrophobicContact CD2-CG 4.27Å; D544-K561 VanDerWaalsContact CG-CE 3.47Å; D544-K561 VanDerWaalsContact CG-NZ 3.25Å; D544-K561 WeakPolarHBondContact OD1-CE 3.36Å; D544-K561 IonicContact OD1-NZ 3.89Å; D544-K561 PolarHBondContact OD1-NZ 2.62Å; D544-K561 WeakPolarHBondContact OD2-CE 3.29Å; D544-K561 IonicContact OD2-NZ 3.11Å; D544-K561 PolarHBondContact OD2-NZ 2.87Å; K561-T564 HydrophobicContact CB-CG2 4.02Å; K561-T564 WeakPolarHBondContact CB-OG1 3.18Å; K561-T564 HydrophobicContact CD-CG2 4.05Å; K561-T564 HydrophobicContact CG-CG2 3.92Å; K561-T564 WeakPolarHBondContact O-CA 3.48Å; K561-T564 WeakPolarHBondContact O-CB 3.3Å; K561-T564 PolarHBondContact O-N 2.67Å; K561-T564 PolarHBondContact O-OG1 3.38Å
562	L	90.2	Very high	89.6	Confident	38 Å²	38	59.5 Å²	59.5	20%	0.199	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.9	144.7	-178.5	-97.1	67.2	0	0	0	110.6	P528 L545 E560 T564	P528-L562 HydrophobicContact CB-CD1 3.6Å; P528-L562 HydrophobicContact CB-CD2 3.83Å; P528-L562 HydrophobicContact CB-CG 4.38Å; P528-L562 HydrophobicContact CG-CD2 3.97Å; L545-L562 HydrophobicContact CB-CB 4.23Å; L545-L562 HydrophobicContact CB-CD1 4.06Å; L545-L562 HydrophobicContact CB-CD2 3.79Å; L545-L562 HydrophobicContact CB-CG 4.23Å; L545-L562 HydrophobicContact CD1-CD2 4.14Å; L545-L562 WeakPolarHBondContact O-CD1 3.26Å; L545-L562 PolarHBondContact O-N 2.62Å; E560-L562 PolarHBondContact O-N 2.87Å; L562-T564 PolarHBondContact O-N 2.84Å
563	N	86.7	Confident	90.3	Very high	172 Å²	172	58.2 Å²	58.2	92%	0.92	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.7	12.3	-175.8	-49.5	-37.8	0	0	0	114.1
564	T	86.1	Confident	90.8	Very high	50 Å²	50	57.5 Å²	57.5	31%	0.307	27%	0.273	S	S	.	.			trans	-119.2	143.3	167.4	82.5	0	0	0	0	108	K561 L562 R566	K561-T564 HydrophobicContact CB-CG2 4.02Å; K561-T564 WeakPolarHBondContact CB-OG1 3.18Å; K561-T564 HydrophobicContact CD-CG2 4.05Å; K561-T564 HydrophobicContact CG-CG2 3.92Å; K561-T564 WeakPolarHBondContact O-CA 3.48Å; K561-T564 WeakPolarHBondContact O-CB 3.3Å; K561-T564 PolarHBondContact O-N 2.67Å; K561-T564 PolarHBondContact O-OG1 3.38Å; L562-T564 PolarHBondContact O-N 2.84Å; T564-R566 PolarHBondContact O-N 2.98Å
565	N	82.9	Confident	91.3	Very high	161 Å²	161	55.7 Å²	55.7	86%	0.861	26%	0.263	S	S	*	.			trans	-90.4	25.8	172.7	-69.6	-14.6	0	0	0	111.5
566	R	88.7	Confident	91.5	Very high	138 Å²	138	57.7 Å²	57.7	52%	0.521	28%	0.276	S	S	.	.			trans	-103.3	104.1	-173.7	-169.2	-175.8	175	-172	-4.6	110.3	T564 V568	T564-R566 PolarHBondContact O-N 2.98Å; R566-V568 HydrophobicContact CG-CG1 3.96Å
567	K	93.1	Very high	91.5	Very high	101 Å²	101	57 Å²	57	44%	0.439	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	129.1	171.2	-57.4	-172.1	177.8	-175.4	0	109.9	V559 E560	V559-K567 CarbonylContact O-C 3.55Å; V559-K567 WeakPolarHBondContact O-CA 3.06Å; E560-K567 HydrophobicContact CB-CG 4.09Å; E560-K567 HydrophobicContact CG-CG 4.16Å; E560-K567 WeakPolarHBondContact OE2-CE 3.48Å
568	V	93.8	Very high	91.4	Very high	16 Å²	16	61.8 Å²	61.8	10%	0.097	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	157.1	-178.6	-62.3	0	0	0	0	111.1	N538 L540 V559 R566	N538-V568 HydrophobicContact CB-CB 4.29Å; N538-V568 HydrophobicContact CB-CG1 4.38Å; N538-V568 HydrophobicContact CB-CG2 3.99Å; N538-V568 WeakPolarHBondContact OD1-CB 3.32Å; N538-V568 WeakPolarHBondContact OD1-CG1 3.42Å; L540-V568 HydrophobicContact CD1-CG2 4.35Å; V559-V568 HydrophobicContact CG2-CG2 3.64Å; V559-V568 PolarHBondContact N-O 3.37Å; V559-V568 PolarHBondContact O-N 3.35Å; R566-V568 HydrophobicContact CG-CG1 3.96Å
569	M	93.4	Very high	91.3	Very high	75 Å²	75	59.4 Å²	59.4	37%	0.369	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	124.4	166	-64.9	-56.9	-59.2	0	0	107.9	N538 H552 A557 R558	N538-M569 PolarHBondContact ND2-O 2.82Å; H552-M569 HydrophobicContact CB-CE 4.49Å; H552-M569 VanDerWaalsContact CE1-CE 3.46Å; H552-M569 WeakPolarHBondContact CE1-CE 3.17Å; H552-M569 WeakPolarHBondContact ND1-CE 3.33Å; A557-M569 WeakPolarHBondContact O-CA 3.33Å; R558-M569 HydrophobicContact CB-CE 4.49Å; R558-M569 HydrophobicContact CB-SD 3.75Å; R558-M569 HydrophobicContact CG-SD 4.03Å
570	A	93	Very high	91.4	Very high	0 Å²	0	60.9 Å²	60.9	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	152.4	-179.6	0	0	0	0	0	110	D535 L540 Y556 A557 V559 A572 F575	D535-A570 VanDerWaalsContact OD2-CB 3.25Å; D535-A570 WeakPolarHBondContact OD2-CB 3.32Å; L540-A570 HydrophobicContact CD1-CB 4.36Å; Y556-A570 CarbonylContact C-O 3.58Å; Y556-A570 WeakPolarHBondContact CA-O 3.38Å; A557-A570 PolarHBondContact N-O 3.04Å; A557-A570 PolarHBondContact O-N 2.82Å; V559-A570 HydrophobicContact CG2-CB 4.14Å; A570-A572 PolarHBondContact O-N 3.06Å; A570-F575 HydrophobicContact CB-CE2 3.72Å; A570-F575 HydrophobicContact CB-CZ 3.68Å
571	P	92.8	Very high	91.4	Very high	22 Å²	22	62.4 Å²	62.4	14%	0.143	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.4	126.9	179.5	-26.1	35.1	0	0	0	112	G555 Y556 F573 K574 F575	G555-P571 CarbonylContact O-C 3.6Å; G555-P571 VanDerWaalsContact O-CA 3.3Å; G555-P571 WeakPolarHBondContact O-CA 3.42Å; Y556-P571 HydrophobicContact CD1-CG 4.3Å; Y556-P571 HydrophobicContact CE1-CG 3.91Å; P571-F573 VanDerWaalsContact C-N 3.3Å; P571-F573 HydrophobicContact CB-CD1 3.83Å; P571-F573 HydrophobicContact CB-CE1 3.43Å; P571-F573 VanDerWaalsContact CB-CE1 3.43Å; P571-F573 HydrophobicContact CB-CZ 4.16Å; P571-F573 HydrophobicContact CG-CE1 4.47Å; P571-F573 PolarHBondContact O-N 3.43Å; P571-K574 HydrophobicContact CB-CD 4.28Å; P571-K574 HydrophobicContact CB-CG 4.2Å; P571-K574 HydrophobicContact CG-CD 4.34Å; P571-K574 WeakPolarHBondContact O-CB 3.24Å; P571-K574 WeakPolarHBondContact O-CG 3.5Å; P571-K574 PolarHBondContact O-N 3.32Å; P571-K574 VanDerWaalsContact O-N 3.15Å; P571-F575 WeakPolarHBondContact O-CE2 3.33Å
572	A	92	Very high	91.5	Very high	6 Å²	6	60.1 Å²	60.1	5%	0.05	31%	0.31	C	S	.	.	G	3₁₀ helix	trans	-62.3	-35.2	-167.3	0	0	0	0	0	113.1	G555 A557 A570 K574 F575	G555-A572 PolarHBondContact O-N 2.86Å; A557-A572 HydrophobicContact CB-CB 3.82Å; A570-A572 PolarHBondContact O-N 3.06Å; A572-K574 PolarHBondContact O-N 3Å; A572-K574 VanDerWaalsContact O-N 3.07Å; A572-F575 PolarHBondContact O-N 3.02Å
573	F	91.1	Very high	91.6	Very high	69 Å²	69	62.5 Å²	62.5	30%	0.303	33%	0.327	S	S	.	.	G	3₁₀ helix	trans	-64.8	-11.1	-179.6	73.4	-94.3	0	0	0	114.4	Y106 E109 I533 P571 F575	Y106-F573 HydrophobicContact CD1-CB 3.84Å; Y106-F573 HydrophobicContact CE1-CB 3.83Å; Y106-F573 HydrophobicContact CE1-CD2 4.25Å; Y106-F573 VanDerWaalsContact CE1-O 3.31Å; Y106-F573 WeakPolarHBondContact CE1-O 3.47Å; E109-F573 HydrophobicContact CB-CB 4.06Å; E109-F573 HydrophobicContact CG-CB 3.97Å; I533-F573 HydrophobicContact CD1-CD2 3.91Å; I533-F573 HydrophobicContact CD1-CE2 3.88Å; P571-F573 VanDerWaalsContact C-N 3.3Å; P571-F573 HydrophobicContact CB-CD1 3.83Å; P571-F573 HydrophobicContact CB-CE1 3.43Å; P571-F573 VanDerWaalsContact CB-CE1 3.43Å; P571-F573 HydrophobicContact CB-CZ 4.16Å; P571-F573 HydrophobicContact CG-CE1 4.47Å; P571-F573 PolarHBondContact O-N 3.43Å; F573-F575 PolarHBondContact O-N 3.08Å
574	K	94.4	Very high	91.9	Very high	28 Å²	28	54.5 Å²	54.5	12%	0.122	28%	0.284	C	S	.	.	G	3₁₀ helix	trans	-78	-8.7	179	-63	-171	-179.9	-169.4	0	113.6	I532 I533 S534 D535 P571 A572	I532-K574 WeakPolarHBondContact CG1-O 3.43Å; I532-K574 PolarHBondContact N-O 2.99Å; I533-K574 HydrophobicContact CB-CB 4.15Å; I533-K574 HydrophobicContact CB-CG 4.03Å; I533-K574 HydrophobicContact CG2-CD 4.38Å; I533-K574 HydrophobicContact CG2-CG 4.18Å; I533-K574 PolarHBondContact N-O 3.45Å; S534-K574 PolarHBondContact O-NZ 3.47Å; S534-K574 VanDerWaalsContact O-NZ 3.14Å; D535-K574 HydrophobicContact CB-CD 3.86Å; D535-K574 VanDerWaalsContact CG-NZ 3.29Å; D535-K574 IonicContact OD1-NZ 3.45Å; D535-K574 PolarHBondContact OD1-NZ 3.37Å; P571-K574 HydrophobicContact CB-CD 4.28Å; P571-K574 HydrophobicContact CB-CG 4.2Å; P571-K574 HydrophobicContact CG-CD 4.34Å; P571-K574 WeakPolarHBondContact O-CB 3.24Å; P571-K574 WeakPolarHBondContact O-CG 3.5Å; P571-K574 PolarHBondContact O-N 3.32Å; P571-K574 VanDerWaalsContact O-N 3.15Å; A572-K574 PolarHBondContact O-N 3Å; A572-K574 VanDerWaalsContact O-N 3.07Å
575	F	94	Very high	92.2	Very high	17 Å²	17	55.2 Å²	55.2	8%	0.075	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	149.1	-175.5	-53	-77.7	0	0	0	111.6	Y529 E530 T531 L540 V546 F548 V559 A570 P571 A572 F573	Y529-F575 HydrophobicContact CD1-CB 4.23Å; E530-F575 CarbonylContact O-C 3.6Å; E530-F575 WeakPolarHBondContact O-CA 3.44Å; T531-F575 HydrophobicContact CG2-CE1 4.44Å; L540-F575 HydrophobicContact CD1-CE1 3.92Å; L540-F575 HydrophobicContact CD1-CZ 3.73Å; V546-F575 HydrophobicContact CG1-CE1 4.12Å; V546-F575 HydrophobicContact CG2-CD1 3.64Å; V546-F575 HydrophobicContact CG2-CE1 3.92Å; V546-F575 HydrophobicContact CG2-CG 4.46Å; F548-F575 HydrophobicContact CD2-CB 4.1Å; F548-F575 HydrophobicContact CD2-CG 4.34Å; F548-F575 HydrophobicContact CE2-CB 3.98Å; F548-F575 HydrophobicContact CE2-CD2 4.09Å; F548-F575 HydrophobicContact CE2-CG 4.26Å; V559-F575 HydrophobicContact CB-CZ 4.28Å; V559-F575 HydrophobicContact CG1-CD1 4.43Å; V559-F575 HydrophobicContact CG1-CD2 4.03Å; V559-F575 HydrophobicContact CG1-CE1 4.2Å; V559-F575 HydrophobicContact CG1-CE2 3.79Å; V559-F575 HydrophobicContact CG1-CG 4.35Å; V559-F575 HydrophobicContact CG1-CZ 3.89Å; V559-F575 HydrophobicContact CG2-CE1 4.16Å; V559-F575 HydrophobicContact CG2-CE2 4.2Å; V559-F575 HydrophobicContact CG2-CZ 3.65Å; A570-F575 HydrophobicContact CB-CE2 3.72Å; A570-F575 HydrophobicContact CB-CZ 3.68Å; P571-F575 WeakPolarHBondContact O-CE2 3.33Å; A572-F575 PolarHBondContact O-N 3.02Å; F573-F575 PolarHBondContact O-N 3.08Å
576	S	92	Very high	92.8	Very high	42 Å²	42	47.7 Å²	47.7	29%	0.294	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	139.5	173.1	-172.6	0	0	0	0	109.8	Y529 E530	Y529-S576 CarbonylContact C-O 3.53Å; Y529-S576 WeakPolarHBondContact CA-O 3.4Å; Y529-S576 WeakPolarHBondContact CB-O 3.5Å; Y529-S576 VanDerWaalsContact CD1-C 3.44Å; E530-S576 PolarHBondContact N-O 2.77Å; E530-S576 PolarHBondContact O-N 3.11Å
577	S	91.2	Very high	93	Very high	71 Å²	71	43 Å²	43	50%	0.497	24%	0.236	S	C	.	.	P	Polyproline II helix	trans	-64.6	147.7	168.4	57.8	0	0	0	0	109.8
578	R	90.5	Very high	92.8	Very high	100 Å²	100	43 Å²	43	38%	0.377	24%	0.238	S	C	.	.	P	Polyproline II helix	trans	-102.5	145.7	173.1	-67.7	179.4	64.9	-145.6	-3.1	109.4	P528 E530	P528-R578 WeakPolarHBondContact O-CD 3.34Å; E530-R578 HydrophobicContact CB-CG 4.04Å
579	L	91.3	Very high	92.4	Very high	64 Å²	64	43.3 Å²	43.3	34%	0.335	24%	0.244	S	C	.	.	P	Polyproline II helix	trans	-82.2	124.2	169.4	-178.3	65.6	0	0	0	109.2	V304 T313 P319	V304-L579 HydrophobicContact CB-CD1 4.22Å; V304-L579 HydrophobicContact CG2-CD1 3.78Å; T313-L579 VanDerWaalsContact OG1-CD2 3.27Å; T313-L579 WeakPolarHBondContact OG1-CD2 3.23Å; P319-L579 HydrophobicContact CB-CD1 3.74Å; P319-L579 HydrophobicContact CG-CD1 4.09Å
580	L	94.7	Very high	91.6	Very high	31 Å²	31	46.1 Å²	46.1	16%	0.162	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	131.7	163.5	-59.5	-175.6	0	0	0	108.4	P302 A303 V304 Q525	P302-L580 HydrophobicContact CG-CD1 4.2Å; A303-L580 WeakPolarHBondContact CA-O 3.5Å; A303-L580 HydrophobicContact CB-CB 4.39Å; V304-L580 PolarHBondContact N-O 2.92Å; Q525-L580 HydrophobicContact CG-CD1 3.95Å
581	S	95	Very high	90.6	Very high	60 Å²	60	49.9 Å²	49.9	42%	0.42	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	148.2	173.6	67.3	0	0	0	0	110.8	V304	V304-S581 CarbonylContact O-C 3.43Å; V304-S581 WeakPolarHBondContact O-CA 3.37Å; V304-S581 WeakPolarHBondContact O-CB 3.07Å
582	A	93.6	Very high	89.9	Confident	2 Å²	2	54 Å²	54	2%	0.017	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	148.2	-178.7	0	0	0	0	0	110.6	D298 W299 A303 V304 S306 M584	D298-A582 HydrophobicContact CB-CB 4.19Å; D298-A582 WeakPolarHBondContact O-CB 3.09Å; W299-A582 HydrophobicContact CB-CB 3.86Å; A303-A582 HydrophobicContact CB-CB 4.26Å; V304-A582 PolarHBondContact O-N 2.84Å; S306-A582 PolarHBondContact N-O 3.47Å; A582-M584 HydrophobicContact CB-CE 4.45Å; A582-M584 PolarHBondContact O-N 3.01Å
583	P	92.5	Very high	89.1	Confident	87 Å²	87	57.2 Å²	57.2	57%	0.565	32%	0.319	S	S	*	.			trans	-62	127.6	167	28.2	-32.8	0	0	0	109
584	M	93.7	Very high	88.2	Confident	4 Å²	4	56 Å²	56	2%	0.02	31%	0.313	C	S	.	.			trans	-131.3	127.8	177.2	-66.1	-174.4	-167.7	0	0	107.8	Q226 Y229 A230 W299 A303 P305 F323 A582	Q226-M584 HydrophobicContact CG-CE 4.37Å; Y229-M584 HydrophobicContact CD1-CB 3.77Å; Y229-M584 HydrophobicContact CD1-CG 4.39Å; Y229-M584 HydrophobicContact CD1-SD 3.79Å; Y229-M584 HydrophobicContact CE1-CB 3.84Å; Y229-M584 HydrophobicContact CE1-SD 4.22Å; A230-M584 HydrophobicContact CB-CB 4.42Å; A230-M584 HydrophobicContact CB-CG 3.97Å; A230-M584 HydrophobicContact CB-SD 4.48Å; W299-M584 HydrophobicContact CB-CE 3.86Å; W299-M584 HydrophobicContact CB-CG 4.25Å; A303-M584 HydrophobicContact CB-CE 4.17Å; P305-M584 HydrophobicContact CB-CB 4.33Å; P305-M584 HydrophobicContact CB-SD 4.15Å; P305-M584 HydrophobicContact CG-SD 3.62Å; F323-M584 HydrophobicContact CE1-CE 4.38Å; F323-M584 HydrophobicContact CE1-SD 4.23Å; F323-M584 HydrophobicContact CZ-SD 4.1Å; A582-M584 HydrophobicContact CB-CE 4.45Å; A582-M584 PolarHBondContact O-N 3.01Å
585	I	93.3	Very high	86.7	Confident	66 Å²	66	60 Å²	60	34%	0.338	34%	0.34	S	S	.	.			trans	-67.4	-40.3	-169.6	-64.9	176	0	0	0	111.7	Y229 A230 G589	Y229-I585 PolarHBondContact O-N 3.3Å; A230-I585 WeakPolarHBondContact O-CG1 3.44Å; A230-I585 PolarHBondContact O-N 3.41Å; A230-I585 VanDerWaalsContact O-N 3.11Å; I585-G589 CarbonylContact O-C 3.59Å; I585-G589 VanDerWaalsContact O-C 3.26Å; I585-G589 WeakPolarHBondContact O-CA 3.39Å; I585-G589 PolarHBondContact O-N 2.73Å
586	G	93.7	Very high	85.1	Confident	3 Å²	3	60 Å²	60	3%	0.031	34%	0.34	C	S	.	.	T	Hydrogen-bonded Turn	trans	55.7	-151.7	-176.9	0	0	0	0	0	112.9	E188 Y229 G232	E188-G586 VanDerWaalsContact OE1-CA 3.24Å; E188-G586 WeakPolarHBondContact OE1-CA 3.28Å; Y229-G586 WeakPolarHBondContact O-CA 3.38Å; Y229-G586 PolarHBondContact O-N 2.05Å; G232-G586 WeakPolarHBondContact CA-O 3.33Å
587	A	93.9	Very high	83	Confident	38 Å²	38	64 Å²	64	31%	0.314	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.5	-23.3	179.4	0	0	0	0	0	113.4	E188 Q191 L192	E188-A587 HydrophobicContact CG-CB 3.64Å; E188-A587 PolarHBondContact OE1-N 3Å; Q191-A587 HydrophobicContact CB-CB 3.82Å; L192-A587 HydrophobicContact CB-CB 4.02Å
588	H	88.8	Confident	81	Confident	102 Å²	102	65.9 Å²	65.9	47%	0.472	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.9	-1.2	-170.1	-60.6	-59.6	0	0	0	114.1	Q191 R591	Q191-H588 PolarHBondContact OE1-CE1 3.47Å; H588-R591 HydrophobicContact CB-CG 4.22Å
589	G	85.1	Confident	78.4	Confident	22 Å²	22	72.6 Å²	72.6	23%	0.227	39%	0.387	C	S	.	.			trans	79.3	-166.6	-172	0	0	0	0	0	112.9	I585 R591	I585-G589 CarbonylContact O-C 3.59Å; I585-G589 VanDerWaalsContact O-C 3.26Å; I585-G589 WeakPolarHBondContact O-CA 3.39Å; I585-G589 PolarHBondContact O-N 2.73Å; G589-R591 PolarHBondContact O-N 2.8Å; G589-R591 VanDerWaalsContact O-N 3.11Å
590	N	76.4	Confident	77.7	Confident	135 Å²	135	73.1 Å²	73.1	72%	0.722	39%	0.39	S	S	*	.	S	Bend	trans	-60.8	117.2	177.3	-77.3	-15.5	0	0	0	110.4
591	R	72.8	Confident	76.8	Confident	78 Å²	78	75.3 Å²	75.3	29%	0.294	40%	0.402	S	S	.	.	P	Polyproline II helix	trans	-103	150.1	179.8	-78.7	179.5	-72.1	-178.4	-2.6	112	E188 Y229 H307 H588 G589	E188-R591 VanDerWaalsContact CD-CZ 3.44Å; E188-R591 VanDerWaalsContact CD-NH1 3.29Å; E188-R591 IonicContact OE1-CZ 3.13Å; E188-R591 VanDerWaalsContact OE1-CZ 3.27Å; E188-R591 IonicContact OE1-NH1 3.73Å; E188-R591 IonicContact OE1-NH2 2.62Å; E188-R591 PolarHBondContact OE1-NH2 3.28Å; E188-R591 IonicContact OE2-CZ 3.64Å; E188-R591 IonicContact OE2-NH1 2.71Å; E188-R591 PolarHBondContact OE2-NH1 3.33Å; E188-R591 IonicContact OE2-NH2 3.99Å; E188-R591 PolarHBondContact OE2-NH2 3.3Å; Y229-R591 PolarHBondContact OH-NH2 3.19Å; H307-R591 HydrophobicContact CB-CB 4.32Å; H307-R591 PolarHBondContact CE1-NH2 3.34Å; H307-R591 PolarHBondContact NE2-NH2 3.27Å; H588-R591 HydrophobicContact CB-CG 4.22Å; G589-R591 PolarHBondContact O-N 2.8Å; G589-R591 VanDerWaalsContact O-N 3.11Å
592	S	77.2	Confident	75.8	Confident	108 Å²	108	76.1 Å²	76.1	76%	0.755	40%	0.401	S	S	*	.	P	Polyproline II helix	trans	-63.3	160.3	158.7	56.3	0	0	0	0	110.1	F594	S592-F594 PolarHBondContact O-N 3.22Å
593	E	76.3	Confident	74.8	Confident	75 Å²	75	80.5 Å²	80.5	35%	0.35	42%	0.423	S	S	.	.	P	Polyproline II helix	trans	-52.8	138.6	175.6	-170.7	177.3	176.5	0	0	112.1	K310 T595	K310-E593 WeakPolarHBondContact CB-OE1 3.32Å; K310-E593 WeakPolarHBondContact CD-OE1 3.38Å; K310-E593 WeakPolarHBondContact CE-OE1 3.46Å; K310-E593 WeakPolarHBondContact CG-OE1 3.4Å; K310-E593 IonicContact NZ-OE1 3.35Å; K310-E593 PolarHBondContact NZ-OE1 3.22Å; K310-E593 IonicContact NZ-OE2 3.04Å; K310-E593 PolarHBondContact NZ-OE2 3.07Å; E593-T595 PolarHBondContact O-N 3.36Å
594	F	72.7	Confident	73.7	Confident	44 Å²	44	80.1 Å²	80.1	19%	0.193	41%	0.414	C	S	.	.	P	Polyproline II helix	trans	-67.7	117.1	176.9	-163.8	-81.9	0	0	0	109.6	Y180 L181 E184 H307 I311 S592 F596	Y180-F594 HydrophobicContact CE1-CE1 4.13Å; Y180-F594 AromaticContact CE1-CZ 3.74Å; Y180-F594 HydrophobicContact CE1-CZ 3.74Å; L181-F594 HydrophobicContact CD1-CD1 4.25Å; L181-F594 HydrophobicContact CD1-CE1 4.27Å; L181-F594 HydrophobicContact CD1-CG 4.42Å; L181-F594 HydrophobicContact CD1-CZ 4.43Å; E184-F594 HydrophobicContact CG-CE2 4.49Å; E184-F594 HydrophobicContact CG-CZ 4.39Å; H307-F594 WeakPolarHBondContact O-CB 3.42Å; H307-F594 PolarHBondContact O-N 3.34Å; I311-F594 HydrophobicContact CG2-CB 4.33Å; I311-F594 HydrophobicContact CG2-CD1 4.45Å; S592-F594 PolarHBondContact O-N 3.22Å; F594-F596 HydrophobicContact CD1-CE1 4.42Å; F594-F596 AromaticContact CE1-CD1 3.81Å; F594-F596 HydrophobicContact CE1-CD1 3.81Å; F594-F596 AromaticContact CE1-CE1 3.6Å; F594-F596 HydrophobicContact CE1-CE1 3.6Å; F594-F596 HydrophobicContact CE1-CG 4.42Å; F594-F596 HydrophobicContact CE1-CZ 4.09Å; F594-F596 HydrophobicContact CZ-CE1 4.46Å
595	T	62.7	Low	72.3	Confident	110 Å²	110	85.1 Å²	85.1	68%	0.675	44%	0.441	S	S	*	.			trans	-116.9	126.4	174.2	55.8	0	0	0	0	108.9	E593 D597	E593-T595 PolarHBondContact O-N 3.36Å; T595-D597 PolarHBondContact O-N 3.2Å
596	F	58.9	Low	70.8	Confident	19 Å²	19	86.5 Å²	86.5	8%	0.083	45%	0.448	C	S	.	.			trans	-64.8	130.3	165.7	-69.1	-64.1	0	0	0	109	Y177 Y180 I311 L315 F594 Y598	Y177-F596 AromaticContact CD1-CD1 3.74Å; Y177-F596 HydrophobicContact CD1-CD1 3.74Å; Y177-F596 AromaticContact CD1-CD2 3.71Å; Y177-F596 HydrophobicContact CD1-CD2 3.71Å; Y177-F596 AromaticContact CD1-CE1 3.51Å; Y177-F596 HydrophobicContact CD1-CE1 3.51Å; Y177-F596 AromaticContact CD1-CE2 3.4Å; Y177-F596 HydrophobicContact CD1-CE2 3.4Å; Y177-F596 AromaticContact CD1-CG 3.88Å; Y177-F596 HydrophobicContact CD1-CG 3.88Å; Y177-F596 AromaticContact CD1-CZ 3.38Å; Y177-F596 HydrophobicContact CD1-CZ 3.38Å; Y177-F596 HydrophobicContact CE1-CB 4.2Å; Y177-F596 AromaticContact CE1-CD1 3.7Å; Y177-F596 HydrophobicContact CE1-CD1 3.7Å; Y177-F596 AromaticContact CE1-CD2 3.69Å; Y177-F596 HydrophobicContact CE1-CD2 3.69Å; Y177-F596 AromaticContact CE1-CE1 3.99Å; Y177-F596 HydrophobicContact CE1-CE1 3.99Å; Y177-F596 AromaticContact CE1-CE2 3.91Å; Y177-F596 HydrophobicContact CE1-CE2 3.91Å; Y177-F596 AromaticContact CE1-CG 3.59Å; Y177-F596 HydrophobicContact CE1-CG 3.59Å; Y177-F596 HydrophobicContact CE1-CZ 4.13Å; Y177-F596 HydrophobicContact CG-CE2 4.34Å; Y177-F596 HydrophobicContact CG-CZ 4.31Å; Y180-F596 HydrophobicContact CD1-CD1 4.35Å; Y180-F596 AromaticContact CD1-CE1 3.51Å; Y180-F596 HydrophobicContact CD1-CE1 3.51Å; Y180-F596 HydrophobicContact CD1-CZ 4.38Å; Y180-F596 HydrophobicContact CE1-CD1 4.11Å; Y180-F596 AromaticContact CE1-CE1 3.6Å; Y180-F596 HydrophobicContact CE1-CE1 3.6Å; I311-F596 HydrophobicContact CD1-CD2 3.63Å; I311-F596 HydrophobicContact CD1-CE2 3.33Å; I311-F596 HydrophobicContact CD1-CZ 4.46Å; I311-F596 HydrophobicContact CG1-CD2 3.86Å; I311-F596 HydrophobicContact CG1-CE2 3.2Å; I311-F596 HydrophobicContact CG1-CZ 3.9Å; L315-F596 HydrophobicContact CD1-CE2 4.12Å; L315-F596 HydrophobicContact CD1-CZ 4.21Å; F594-F596 HydrophobicContact CD1-CE1 4.42Å; F594-F596 AromaticContact CE1-CD1 3.81Å; F594-F596 HydrophobicContact CE1-CD1 3.81Å; F594-F596 AromaticContact CE1-CE1 3.6Å; F594-F596 HydrophobicContact CE1-CE1 3.6Å; F594-F596 HydrophobicContact CE1-CG 4.42Å; F594-F596 HydrophobicContact CE1-CZ 4.09Å; F594-F596 HydrophobicContact CZ-CE1 4.46Å; F596-Y598 HydrophobicContact CB-CD1 4.13Å; F596-Y598 HydrophobicContact CB-CD2 4.41Å; F596-Y598 HydrophobicContact CB-CE1 3.74Å; F596-Y598 HydrophobicContact CB-CE2 4.07Å; F596-Y598 HydrophobicContact CB-CG 4.44Å; F596-Y598 HydrophobicContact CD2-CE1 4.3Å; F596-Y598 HydrophobicContact CG-CE1 4.41Å; F596-Y598 WeakPolarHBondContact O-CD2 3.43Å; F596-Y598 WeakPolarHBondContact O-CE2 3.27Å; F596-Y598 PolarHBondContact O-N 2.66Å; F596-Y598 VanDerWaalsContact O-N 3.13Å
597	D	49.4	Very low	69.1	Low	126 Å²	126	92.9 Å²	92.9	67%	0.674	48%	0.48	S	S	*	.			trans	-72.1	102.2	161.1	-164.9	-1.1	0	0	0	106.4	T595 K599	T595-D597 PolarHBondContact O-N 3.2Å; D597-K599 PolarHBondContact O-N 3.05Å; D597-K599 VanDerWaalsContact OD1-CG 3.32Å; D597-K599 WeakPolarHBondContact OD1-CG 2.91Å
598	Y	49.1	Very low	67	Low	110 Å²	110	97.5 Å²	97.5	43%	0.431	49%	0.494	S	S	.	.			trans	-77.6	23.5	-178.2	-64.1	-75.8	0	0	0	112.6	R314 F596	R314-Y598 PolarHBondContact NH1-OH 2.97Å; F596-Y598 HydrophobicContact CB-CD1 4.13Å; F596-Y598 HydrophobicContact CB-CD2 4.41Å; F596-Y598 HydrophobicContact CB-CE1 3.74Å; F596-Y598 HydrophobicContact CB-CE2 4.07Å; F596-Y598 HydrophobicContact CB-CG 4.44Å; F596-Y598 HydrophobicContact CD2-CE1 4.3Å; F596-Y598 HydrophobicContact CG-CE1 4.41Å; F596-Y598 WeakPolarHBondContact O-CD2 3.43Å; F596-Y598 WeakPolarHBondContact O-CE2 3.27Å; F596-Y598 PolarHBondContact O-N 2.66Å; F596-Y598 VanDerWaalsContact O-N 3.13Å
599	K	34.7	Very low	65	Low	241 Å²	241	97.1 Å²	97.1	100%	1.048	50%	0.496	S	S	*	.			trans	-77.7	0	-178.8	-86.3	-177.8	-178.5	175.5	0	112.9	D597	D597-K599 PolarHBondContact O-N 3.05Å; D597-K599 VanDerWaalsContact OD1-CG 3.32Å; D597-K599 WeakPolarHBondContact OD1-CG 2.91Å

Retrieved 599 of 599 residues in 353.1 ms (Link to these results)

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