A0A077Z4Y8_TRITR Loading...

ATP12 and DUF563 domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z4Y8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 762 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	42.5	Very low	50.9	Low	232 Å²	232	132.5 Å²	132.5	100%	1.143	66%	0.659	S	S	*	*				0	109.7	0	-83	169.8	161.8	0	0	106.7
2	H	46.6	Very low	51.2	Low	155 Å²	155	128.3 Å²	128.3	72%	0.718	65%	0.646	S	S	*	*			trans	-73.8	146.8	-175.7	-89.1	-80.2	0	0	0	109.9	S4 D5	H2-S4 PolarHBondContact O-N 3.37Å; H2-D5 PolarHBondContact O-N 3.04Å
3	F	51.4	Low	51	Low	176 Å²	176	123.8 Å²	123.8	77%	0.772	63%	0.631	S	S	*	*	T	Hydrogen-bonded Turn	trans	-57.9	-14.4	-175.6	-140.9	-97.6	0	0	0	113.9
4	S	53.6	Low	51.1	Low	74 Å²	74	121.4 Å²	121.4	52%	0.517	63%	0.625	S	S	.	*	T	Hydrogen-bonded Turn	trans	-65.4	-36.7	172.9	50.7	0	0	0	0	113.2	H2 L6 I7	H2-S4 PolarHBondContact O-N 3.37Å; S4-L6 VanDerWaalsContact C-N 3.29Å; S4-L6 PolarHBondContact O-N 2.97Å; S4-I7 PolarHBondContact O-N 3.32Å
5	D	54.8	Low	51.1	Low	88 Å²	88	125.1 Å²	125.1	47%	0.471	63%	0.63	S	S	.	*	H	α-helix	trans	-77.8	-19.6	-170	-55	-14.9	0	0	0	111.8	H2	H2-D5 PolarHBondContact O-N 3.04Å
6	L	51.1	Low	50.7	Low	125 Å²	125	122.3 Å²	122.3	65%	0.654	62%	0.624	S	S	*	*	H	α-helix	trans	-77	-22.4	176.7	-99.4	150.3	0	0	0	113.1	S4	S4-L6 VanDerWaalsContact C-N 3.29Å; S4-L6 PolarHBondContact O-N 2.97Å
7	I	57.6	Low	50.3	Low	98 Å²	98	121.3 Å²	121.3	50%	0.503	62%	0.619	S	S	.	*	H	α-helix	trans	-81.3	-33	-177.8	-62.7	175.3	0	0	0	111.1	S4 W9 A10 L11	S4-I7 PolarHBondContact O-N 3.32Å; I7-W9 PolarHBondContact O-N 3.45Å; I7-A10 PolarHBondContact O-N 3.34Å; I7-L11 HydrophobicContact CG2-CD1 3.91Å; I7-L11 PolarHBondContact O-N 3.5Å
8	E	50.4	Low	49.9	Very low	148 Å²	148	117.9 Å²	117.9	69%	0.692	61%	0.613	S	S	*	*	H	α-helix	trans	-70.3	-31	177.7	-75.3	-170	157.1	0	0	113.3	T12	E8-T12 PolarHBondContact O-OG1 3.08Å; E8-T12 VanDerWaalsContact O-OG1 3.08Å
9	W	50.7	Low	49.5	Very low	211 Å²	211	118.6 Å²	118.6	80%	0.799	62%	0.615	S	S	*	*	H	α-helix	trans	-79	-22.7	177.5	-80.2	80.8	0	0	0	113.8	I7 T12	I7-W9 PolarHBondContact O-N 3.45Å; W9-T12 PolarHBondContact O-OG1 3.45Å
10	A	52.2	Low	48.8	Very low	64 Å²	64	120 Å²	120	53%	0.529	62%	0.622	S	S	.	*	H	α-helix	trans	-84	-24.2	179	0	0	0	0	0	113.4	I7	I7-A10 PolarHBondContact O-N 3.34Å
11	L	48.7	Very low	48.2	Very low	87 Å²	87	122.7 Å²	122.7	46%	0.455	63%	0.629	S	S	.	*	H	α-helix	trans	-93.4	-20	-175.7	-69.7	171.5	0	0	0	114.1	I7 V14 Y15	I7-L11 HydrophobicContact CG2-CD1 3.91Å; I7-L11 PolarHBondContact O-N 3.5Å; L11-V14 PolarHBondContact O-N 3.41Å; L11-Y15 WeakPolarHBondContact O-CD2 3.48Å; L11-Y15 PolarHBondContact O-N 2.98Å; L11-Y15 VanDerWaalsContact O-N 3.15Å
12	T	54.8	Low	47.7	Very low	81 Å²	81	114.9 Å²	114.9	50%	0.497	61%	0.609	S	S	.	*	H	α-helix	trans	-62	-37	178.4	24.2	0	0	0	0	114.3	E8 W9 C16	E8-T12 PolarHBondContact O-OG1 3.08Å; E8-T12 VanDerWaalsContact O-OG1 3.08Å; W9-T12 PolarHBondContact O-OG1 3.45Å; T12-C16 PolarHBondContact O-N 3.23Å; T12-C16 PolarHBondContact O-SG 3.23Å; T12-C16 VanDerWaalsContact O-SG 3.41Å
13	P	48.9	Very low	47.2	Very low	70 Å²	70	115.2 Å²	115.2	46%	0.455	61%	0.608	S	S	.	*	H	α-helix	trans	-70.3	-33.9	174.1	-16.8	30.3	0	0	0	112.9	C16 I17	P13-C16 PolarHBondContact O-N 3.25Å; P13-I17 WeakPolarHBondContact O-CG1 3.47Å; P13-I17 PolarHBondContact O-N 3.15Å
14	V	52.6	Low	46.4	Very low	91 Å²	91	109.4 Å²	109.4	55%	0.552	60%	0.598	S	S	*	*	H	α-helix	trans	-67.6	-39.1	-179.8	-177.6	0	0	0	0	110.6	L11 I17 A18	L11-V14 PolarHBondContact O-N 3.41Å; V14-I17 PolarHBondContact O-N 3.24Å; V14-A18 WeakPolarHBondContact O-CB 3.34Å; V14-A18 PolarHBondContact O-N 3.47Å; V14-A18 VanDerWaalsContact O-N 3.09Å
15	Y	51.1	Low	45.6	Very low	177 Å²	177	115.4 Å²	115.4	69%	0.694	62%	0.615	S	S	*	*	H	α-helix	trans	-66.7	-34.5	173	-89.8	-81.6	0	0	0	113	L11 M19	L11-Y15 WeakPolarHBondContact O-CD2 3.48Å; L11-Y15 PolarHBondContact O-N 2.98Å; L11-Y15 VanDerWaalsContact O-N 3.15Å; Y15-M19 VanDerWaalsContact O-CG 3.25Å; Y15-M19 WeakPolarHBondContact O-CG 3.34Å; Y15-M19 PolarHBondContact O-N 3.29Å
16	C	44.6	Very low	45	Very low	79 Å²	79	116.7 Å²	116.7	53%	0.534	63%	0.626	S	S	.	*	H	α-helix	trans	-73.4	-34.1	177.2	-70.5	0	0	0	0	113	T12 P13 M19 L20	T12-C16 PolarHBondContact O-N 3.23Å; T12-C16 PolarHBondContact O-SG 3.23Å; T12-C16 VanDerWaalsContact O-SG 3.41Å; P13-C16 PolarHBondContact O-N 3.25Å; C16-M19 PolarHBondContact O-N 3.09Å; C16-L20 PolarHBondContact O-N 3.4Å
17	I	43.7	Very low	44.8	Very low	106 Å²	106	111.5 Å²	111.5	54%	0.544	60%	0.604	S	S	.	*	H	α-helix	trans	-72.6	-35.2	176.6	-64.7	167.4	0	0	0	110.6	P13 V14 M19 L20 F21	P13-I17 WeakPolarHBondContact O-CG1 3.47Å; P13-I17 PolarHBondContact O-N 3.15Å; V14-I17 PolarHBondContact O-N 3.24Å; I17-M19 VanDerWaalsContact C-N 3.26Å; I17-M19 PolarHBondContact O-N 3.29Å; I17-L20 PolarHBondContact O-N 3.17Å; I17-F21 HydrophobicContact CG2-CD2 4.27Å; I17-F21 PolarHBondContact O-N 3.22Å
18	A	43	Very low	44.9	Very low	61 Å²	61	112.4 Å²	112.4	50%	0.504	61%	0.609	S	S	.	*	H	α-helix	trans	-65.7	-27	171.2	0	0	0	0	0	113	V14	V14-A18 WeakPolarHBondContact O-CB 3.34Å; V14-A18 PolarHBondContact O-N 3.47Å; V14-A18 VanDerWaalsContact O-N 3.09Å
19	M	41.6	Very low	45.7	Very low	131 Å²	131	107.2 Å²	107.2	65%	0.645	58%	0.584	S	S	*	*	H	α-helix	trans	-79.5	-24.4	175.5	-73.6	-90.3	-79	0	0	113.4	Y15 C16 I17 F23	Y15-M19 VanDerWaalsContact O-CG 3.25Å; Y15-M19 WeakPolarHBondContact O-CG 3.34Å; Y15-M19 PolarHBondContact O-N 3.29Å; C16-M19 PolarHBondContact O-N 3.09Å; I17-M19 VanDerWaalsContact C-N 3.26Å; I17-M19 PolarHBondContact O-N 3.29Å; M19-F23 HydrophobicContact SD-CE2 3.65Å; M19-F23 HydrophobicContact SD-CZ 4.32Å
20	L	36.5	Very low	46.6	Very low	146 Å²	146	98 Å²	98	76%	0.764	55%	0.551	S	S	*	*	H	α-helix	trans	-91.7	-21.8	-178.8	-73.5	169.5	0	0	0	113.6	C16 I17	C16-L20 PolarHBondContact O-N 3.4Å; I17-L20 PolarHBondContact O-N 3.17Å
21	F	35	Very low	48.1	Very low	176 Å²	176	95.5 Å²	95.5	77%	0.772	53%	0.529	S	S	*	.	S	Bend	trans	-112.6	91	176.2	-76.1	-84.7	0	0	0	111	I17	I17-F21 HydrophobicContact CG2-CD2 4.27Å; I17-F21 PolarHBondContact O-N 3.22Å
22	G	32.4	Very low	49.8	Very low	69 Å²	69	95.3 Å²	95.3	71%	0.711	53%	0.528	S	S	*	.			trans	85.6	64.7	154.3	0	0	0	0	0	116.7	G24	G22-G24 PolarHBondContact O-N 2.89Å
23	F	37.4	Very low	51.4	Low	161 Å²	161	92.1 Å²	92.1	71%	0.706	51%	0.508	S	S	*	.			trans	-72.7	68.6	138.6	-83.2	-87.2	0	0	0	108.4	M19 F25	M19-F23 HydrophobicContact SD-CE2 3.65Å; M19-F23 HydrophobicContact SD-CZ 4.32Å; F23-F25 PolarHBondContact O-N 3.2Å
24	G	33.8	Very low	53.2	Low	55 Å²	55	91.9 Å²	91.9	57%	0.567	51%	0.506	S	S	*	.			trans	-60.8	120.6	148.1	0	0	0	0	0	105	G22 T26	G22-G24 PolarHBondContact O-N 2.89Å; G24-T26 PolarHBondContact O-N 2.82Å
25	F	37	Very low	54.7	Low	200 Å²	200	94.8 Å²	94.8	88%	0.877	51%	0.514	S	S	*	.			trans	-55.4	96.2	165.8	-82.5	-99.4	0	0	0	106.5	F23 G27	F23-F25 PolarHBondContact O-N 3.2Å; F25-G27 VanDerWaalsContact C-N 3.34Å; F25-G27 PolarHBondContact O-N 2.9Å
26	T	41.9	Very low	56.4	Low	114 Å²	114	91 Å²	91	70%	0.699	50%	0.502	S	S	*	.			trans	-58.4	108	160.8	50.9	0	0	0	0	103.9	G24 D28	G24-T26 PolarHBondContact O-N 2.82Å; T26-D28 PolarHBondContact O-N 3.33Å; T26-D28 VanDerWaalsContact O-N 3.12Å
27	G	48	Very low	58.6	Low	17 Å²	17	88.1 Å²	88.1	18%	0.175	48%	0.481	C	S	.	.			trans	-57.7	123.3	-179.7	0	0	0	0	0	107.3	F25 Y29 D55	F25-G27 VanDerWaalsContact C-N 3.34Å; F25-G27 PolarHBondContact O-N 2.9Å; G27-Y29 WeakPolarHBondContact O-CD2 3.4Å; G27-Y29 WeakPolarHBondContact O-CE2 3.25Å; G27-Y29 PolarHBondContact O-N 3.37Å; G27-D55 PolarHBondContact N-OD2 3.19Å
28	D	58.9	Low	60.8	Low	117 Å²	117	83.1 Å²	83.1	63%	0.626	46%	0.455	S	S	*	.			trans	-69.1	91.3	173	-172.8	26.2	0	0	0	107.8	T26 S30	T26-D28 PolarHBondContact O-N 3.33Å; T26-D28 VanDerWaalsContact O-N 3.12Å; D28-S30 VanDerWaalsContact CG-CB 3.47Å; D28-S30 PolarHBondContact O-N 3.18Å; D28-S30 WeakPolarHBondContact OD1-CB 3.28Å; D28-S30 PolarHBondContact OD1-OG 3.19Å; D28-S30 VanDerWaalsContact OD2-CB 3.32Å; D28-S30 WeakPolarHBondContact OD2-CB 3.46Å; D28-S30 PolarHBondContact OD2-OG 2.99Å
29	Y	67	Low	63	Low	39 Å²	39	83 Å²	83	15%	0.153	44%	0.443	C	S	.	.			trans	-78.6	37.2	174.4	-52.4	-63.9	0	0	0	110.8	G27 F31 A51 C52 D55 C58	G27-Y29 WeakPolarHBondContact O-CD2 3.4Å; G27-Y29 WeakPolarHBondContact O-CE2 3.25Å; G27-Y29 PolarHBondContact O-N 3.37Å; Y29-F31 HydrophobicContact CD1-CE1 4.43Å; Y29-F31 PolarHBondContact O-N 2.82Å; Y29-A51 PolarHBondContact OH-O 2.82Å; Y29-C52 HydrophobicContact CE1-CB 3.69Å; Y29-C52 VanDerWaalsContact OH-CA 3.27Å; Y29-C52 WeakPolarHBondContact OH-CA 3.47Å; Y29-D55 WeakPolarHBondContact OH-CB 3.31Å; Y29-D55 PolarHBondContact OH-OD2 3.45Å; Y29-C58 HydrophobicContact CD2-CB 4.41Å; Y29-C58 HydrophobicContact CE1-CB 4.1Å; Y29-C58 WeakPolarHBondContact CE1-SG 3.23Å; Y29-C58 HydrophobicContact CE2-CB 3.65Å; Y29-C58 VanDerWaalsContact CZ-CB 3.5Å
30	S	69.4	Low	65.4	Low	16 Å²	16	77.1 Å²	77.1	11%	0.112	41%	0.414	C	S	.	.			trans	-72.4	-6	-174.6	49.1	0	0	0	0	114.7	D28 N32 D262	D28-S30 VanDerWaalsContact CG-CB 3.47Å; D28-S30 PolarHBondContact O-N 3.18Å; D28-S30 WeakPolarHBondContact OD1-CB 3.28Å; D28-S30 PolarHBondContact OD1-OG 3.19Å; D28-S30 VanDerWaalsContact OD2-CB 3.32Å; D28-S30 WeakPolarHBondContact OD2-CB 3.46Å; D28-S30 PolarHBondContact OD2-OG 2.99Å; S30-N32 PolarHBondContact O-N 3.03Å; S30-D262 PolarHBondContact OG-OD1 3.1Å
31	F	83.9	Confident	68	Low	13 Å²	13	70.7 Å²	70.7	6%	0.057	38%	0.38	C	S	.	.	B	Isolated β-bridge	trans	-62.5	130	179.6	61.7	-97.8	0	0	0	110.9	Y29 L33 V38 Y41 V48 Y60 F261	Y29-F31 HydrophobicContact CD1-CE1 4.43Å; Y29-F31 PolarHBondContact O-N 2.82Å; F31-L33 HydrophobicContact CD2-CB 4.16Å; F31-L33 HydrophobicContact CD2-CD1 3.97Å; F31-L33 HydrophobicContact CD2-CG 4.19Å; F31-V38 HydrophobicContact CE2-CG1 3.96Å; F31-V38 HydrophobicContact CE2-CG2 4.02Å; F31-V38 HydrophobicContact CZ-CG1 4Å; F31-Y41 HydrophobicContact CB-CE1 4.34Å; F31-Y41 HydrophobicContact CD1-CD1 4.31Å; F31-Y41 AromaticContact CD1-CE1 3.66Å; F31-Y41 HydrophobicContact CD1-CE1 3.66Å; F31-Y41 HydrophobicContact CD2-CD1 4.21Å; F31-Y41 HydrophobicContact CD2-CE1 4.23Å; F31-Y41 HydrophobicContact CE1-CD1 4.3Å; F31-Y41 AromaticContact CE1-CE1 3.93Å; F31-Y41 HydrophobicContact CE1-CE1 3.93Å; F31-Y41 HydrophobicContact CE2-CD1 4.22Å; F31-Y41 HydrophobicContact CE2-CE1 4.49Å; F31-Y41 HydrophobicContact CG-CD1 4.27Å; F31-Y41 AromaticContact CG-CE1 3.82Å; F31-Y41 HydrophobicContact CG-CE1 3.82Å; F31-Y41 HydrophobicContact CZ-CD1 4.26Å; F31-Y41 HydrophobicContact CZ-CE1 4.35Å; F31-V48 HydrophobicContact CE1-CG1 4.2Å; F31-Y60 HydrophobicContact CE1-CE2 4.45Å; F31-Y60 HydrophobicContact CE2-CD2 4.34Å; F31-Y60 AromaticContact CE2-CE2 3.86Å; F31-Y60 HydrophobicContact CE2-CE2 3.86Å; F31-Y60 AromaticContact CZ-CD2 3.67Å; F31-Y60 HydrophobicContact CZ-CD2 3.67Å; F31-Y60 AromaticContact CZ-CE2 3.56Å; F31-Y60 HydrophobicContact CZ-CE2 3.56Å; F31-F261 WeakPolarHBondContact CA-O 3.46Å; F31-F261 HydrophobicContact CB-CB 4.2Å
32	N	85.1	Confident	70.6	Confident	83 Å²	83	62.4 Å²	62.4	44%	0.444	34%	0.343	S	S	.	.			trans	-99.4	90.8	178.8	-176	33.8	0	0	0	110.1	S30 F261 Q263 A287	S30-N32 PolarHBondContact O-N 3.03Å; N32-F261 PolarHBondContact N-O 3.25Å; N32-Q263 VanDerWaalsContact CB-CD 3.47Å; N32-Q263 HydrophobicContact CB-CG 3.65Å; N32-Q263 PolarHBondContact ND2-NE2 2.04Å; N32-A287 PolarHBondContact ND2-O 3.35Å
33	L	88.4	Confident	73.3	Confident	13 Å²	13	60.8 Å²	60.8	7%	0.068	32%	0.317	C	S	.	.			trans	-127.3	146.3	178.3	-73.2	173.8	0	0	0	110.8	F31 H37 V38 Y41 Y252 F261	F31-L33 HydrophobicContact CD2-CB 4.16Å; F31-L33 HydrophobicContact CD2-CD1 3.97Å; F31-L33 HydrophobicContact CD2-CG 4.19Å; L33-H37 HydrophobicContact CB-CB 4.35Å; L33-V38 HydrophobicContact CB-CG2 4.44Å; L33-Y41 HydrophobicContact CD1-CD1 3.97Å; L33-Y41 HydrophobicContact CD1-CD2 3.98Å; L33-Y41 HydrophobicContact CD1-CG 3.57Å; L33-Y252 HydrophobicContact CD2-CE2 3.89Å; L33-F261 HydrophobicContact CD1-CB 4.38Å; L33-F261 HydrophobicContact CD1-CD2 3.95Å; L33-F261 HydrophobicContact CD1-CE2 4.41Å; L33-F261 HydrophobicContact CD1-CG 4.11Å; L33-F261 HydrophobicContact CD2-CB 4.25Å; L33-F261 HydrophobicContact CD2-CD1 3.63Å; L33-F261 HydrophobicContact CD2-CD2 4.31Å; L33-F261 HydrophobicContact CD2-CE1 3.98Å; L33-F261 HydrophobicContact CD2-CG 3.81Å; L33-F261 HydrophobicContact CD2-CZ 4.46Å; L33-F261 HydrophobicContact CG-CB 4.12Å; L33-F261 HydrophobicContact CG-CD1 4.39Å; L33-F261 HydrophobicContact CG-CD2 4.43Å; L33-F261 HydrophobicContact CG-CG 4.08Å
34	P	86.9	Confident	75.7	Confident	65 Å²	65	55.2 Å²	55.2	42%	0.422	29%	0.292	S	S	.	.			trans	-53.9	142.9	167	-23.5	33.3	0	0	0	110.7	E36 H37 V38	P34-E36 HydrophobicContact CB-CG 4.03Å; P34-E36 PolarHBondContact O-N 2.85Å; P34-E36 VanDerWaalsContact O-N 3.11Å; P34-H37 WeakPolarHBondContact O-CA 3.42Å; P34-H37 WeakPolarHBondContact O-CB 3.2Å; P34-H37 PolarHBondContact O-N 3.44Å; P34-V38 PolarHBondContact O-N 3.41Å
35	E	84.1	Confident	78.3	Confident	152 Å²	152	56 Å²	56	71%	0.71	28%	0.278	S	S	*	.	H	α-helix	trans	-53.4	-38	-178	-170.4	179.5	174.9	0	0	112.1	H37 V38	E35-H37 PolarHBondContact O-N 3.26Å; E35-V38 PolarHBondContact O-N 3.19Å
36	E	85.4	Confident	80.7	Confident	98 Å²	98	50.1 Å²	50.1	46%	0.458	26%	0.259	S	S	.	.	H	α-helix	trans	-63.4	-23	177.1	57.7	165.5	167.4	0	0	114.1	P34 Y40 R88	P34-E36 HydrophobicContact CB-CG 4.03Å; P34-E36 PolarHBondContact O-N 2.85Å; P34-E36 VanDerWaalsContact O-N 3.11Å; E36-Y40 VanDerWaalsContact O-CD2 3.25Å; E36-Y40 WeakPolarHBondContact O-CD2 3.19Å; E36-Y40 WeakPolarHBondContact O-CE2 3.3Å; E36-R88 IonicContact OE2-CZ 2.81Å; E36-R88 IonicContact OE2-NH2 2.77Å; E36-R88 PolarHBondContact OE2-NH2 3.2Å
37	H	91	Very high	82.9	Confident	19 Å²	19	48.7 Å²	48.7	9%	0.088	25%	0.247	C	C	.	.	H	α-helix	trans	-88.8	-21.8	-179.3	-70.2	-169.7	0	0	0	112.9	L33 P34 E35 K39 Y40 Y41 W71 Y84 Y252	L33-H37 HydrophobicContact CB-CB 4.35Å; P34-H37 WeakPolarHBondContact O-CA 3.42Å; P34-H37 WeakPolarHBondContact O-CB 3.2Å; P34-H37 PolarHBondContact O-N 3.44Å; E35-H37 PolarHBondContact O-N 3.26Å; H37-K39 PolarHBondContact O-N 2.74Å; H37-Y40 PolarHBondContact O-N 2.89Å; H37-Y41 PolarHBondContact O-N 3.28Å; H37-W71 HydrophobicContact CB-CH2 3.7Å; H37-W71 HydrophobicContact CB-CZ2 4.07Å; H37-W71 AromaticContact CD2-CH2 3.8Å; H37-W71 AromaticContact CG-CH2 3.55Å; H37-W71 AromaticContact ND1-CH2 3.84Å; H37-Y84 AromaticContact CD2-CE2 3.57Å; H37-Y84 AromaticContact NE2-CE2 3.52Å; H37-Y84 AromaticContact NE2-CZ 3.6Å; H37-Y84 PolarHBondContact NE2-OH 3.32Å; H37-Y252 PolarHBondContact CE1-OH 3.01Å; H37-Y252 AromaticContact ND1-CZ 3.9Å; H37-Y252 PolarHBondContact ND1-OH 2.87Å
38	V	90.3	Very high	84.8	Confident	0 Å²	0	49 Å²	49	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-59.1	-44.8	-170.9	179.5	0	0	0	0	112	F31 L33 P34 E35 Y40 Y41 L42 Y60 L63	F31-V38 HydrophobicContact CE2-CG1 3.96Å; F31-V38 HydrophobicContact CE2-CG2 4.02Å; F31-V38 HydrophobicContact CZ-CG1 4Å; L33-V38 HydrophobicContact CB-CG2 4.44Å; P34-V38 PolarHBondContact O-N 3.41Å; E35-V38 PolarHBondContact O-N 3.19Å; V38-Y40 VanDerWaalsContact C-N 3.31Å; V38-Y40 PolarHBondContact O-N 2.94Å; V38-Y41 WeakPolarHBondContact O-CB 2.96Å; V38-Y41 PolarHBondContact O-N 3.13Å; V38-Y41 VanDerWaalsContact O-N 3.16Å; V38-L42 HydrophobicContact CG1-CD1 3.85Å; V38-L42 HydrophobicContact CG1-CG 4.06Å; V38-L42 WeakPolarHBondContact O-CG 3.46Å; V38-L42 PolarHBondContact O-N 2.75Å; V38-Y60 HydrophobicContact CG1-CD1 3.85Å; V38-Y60 HydrophobicContact CG1-CD2 4.13Å; V38-Y60 HydrophobicContact CG1-CE1 4.24Å; V38-Y60 HydrophobicContact CG1-CE2 4.49Å; V38-Y60 HydrophobicContact CG1-CG 3.78Å; V38-Y60 HydrophobicContact CG2-CD1 4.49Å; V38-Y60 HydrophobicContact CG2-CE1 4.11Å; V38-L63 HydrophobicContact CB-CD1 4.31Å; V38-L63 HydrophobicContact CG1-CD1 4.23Å
39	K	89.7	Confident	86.2	Confident	59 Å²	59	43.5 Å²	43.5	26%	0.257	22%	0.216	S	C	.	.	H	α-helix	trans	-59.3	-39	179.8	59.5	179.9	173.3	170.7	0	113.6	H37 H43 E69	H37-K39 PolarHBondContact O-N 2.74Å; K39-H43 WeakPolarHBondContact O-CB 3.41Å; K39-H43 PolarHBondContact O-N 2.87Å; K39-H43 VanDerWaalsContact O-N 3.1Å; K39-E69 WeakPolarHBondContact CE-OE2 3.28Å; K39-E69 IonicContact NZ-OE1 2.79Å; K39-E69 PolarHBondContact NZ-OE1 2.7Å; K39-E69 IonicContact NZ-OE2 3.8Å; K39-E69 PolarHBondContact NZ-OE2 3.16Å
40	Y	91.3	Very high	87.3	Confident	8 Å²	8	45.7 Å²	45.7	3%	0.031	23%	0.231	C	C	.	.	H	α-helix	trans	-74.3	-35.4	178.6	-53.6	-81.7	0	0	0	111.3	E36 H37 V38 R44 E69 C70 W71 Y84 R88	E36-Y40 VanDerWaalsContact O-CD2 3.25Å; E36-Y40 WeakPolarHBondContact O-CD2 3.19Å; E36-Y40 WeakPolarHBondContact O-CE2 3.3Å; H37-Y40 PolarHBondContact O-N 2.89Å; V38-Y40 VanDerWaalsContact C-N 3.31Å; V38-Y40 PolarHBondContact O-N 2.94Å; Y40-R44 PolarHBondContact O-N 3.13Å; Y40-E69 HydrophobicContact CD1-CB 3.81Å; Y40-E69 HydrophobicContact CE1-CB 3.54Å; Y40-E69 HydrophobicContact CE1-CG 4.42Å; Y40-E69 WeakPolarHBondContact CE1-OE2 3.41Å; Y40-E69 PolarHBondContact OH-OE2 3.15Å; Y40-C70 VanDerWaalsContact CD1-C 3.5Å; Y40-C70 WeakPolarHBondContact CD1-O 3.48Å; Y40-W71 VanDerWaalsContact C-NE1 3.31Å; Y40-W71 HydrophobicContact CD2-CH2 4.33Å; Y40-W71 HydrophobicContact CD2-CZ3 4.48Å; Y40-W71 HydrophobicContact CG-CD2 4.39Å; Y40-W71 HydrophobicContact CG-CE3 4.48Å; Y40-W71 HydrophobicContact CG-CH2 4.48Å; Y40-W71 HydrophobicContact CG-CZ2 4.38Å; Y40-W71 PolarHBondContact O-NE1 2.96Å; Y40-Y84 AromaticContact CD2-CD2 3.78Å; Y40-Y84 HydrophobicContact CD2-CD2 3.78Å; Y40-Y84 VanDerWaalsContact CE1-CA 3.49Å; Y40-Y84 HydrophobicContact CE1-CD2 4.24Å; Y40-Y84 AromaticContact CE2-CD2 3.37Å; Y40-Y84 HydrophobicContact CE2-CD2 3.37Å; Y40-Y84 HydrophobicContact CE2-CE2 4.08Å; Y40-Y84 HydrophobicContact CE2-CG 4.35Å; Y40-Y84 HydrophobicContact CG-CD2 4.39Å; Y40-Y84 AromaticContact CZ-CD2 3.62Å; Y40-R88 PolarHBondContact OH-NH1 2.84Å
41	Y	90.9	Very high	88.2	Confident	11 Å²	11	46.5 Å²	46.5	4%	0.043	24%	0.239	C	C	.	.	H	α-helix	trans	-64.4	-49	173.5	174.7	-108.7	0	0	0	112	F31 L33 H37 V38 H43 R44 R45 V48 F261	F31-Y41 HydrophobicContact CB-CE1 4.34Å; F31-Y41 HydrophobicContact CD1-CD1 4.31Å; F31-Y41 AromaticContact CD1-CE1 3.66Å; F31-Y41 HydrophobicContact CD1-CE1 3.66Å; F31-Y41 HydrophobicContact CD2-CD1 4.21Å; F31-Y41 HydrophobicContact CD2-CE1 4.23Å; F31-Y41 HydrophobicContact CE1-CD1 4.3Å; F31-Y41 AromaticContact CE1-CE1 3.93Å; F31-Y41 HydrophobicContact CE1-CE1 3.93Å; F31-Y41 HydrophobicContact CE2-CD1 4.22Å; F31-Y41 HydrophobicContact CE2-CE1 4.49Å; F31-Y41 HydrophobicContact CG-CD1 4.27Å; F31-Y41 AromaticContact CG-CE1 3.82Å; F31-Y41 HydrophobicContact CG-CE1 3.82Å; F31-Y41 HydrophobicContact CZ-CD1 4.26Å; F31-Y41 HydrophobicContact CZ-CE1 4.35Å; L33-Y41 HydrophobicContact CD1-CD1 3.97Å; L33-Y41 HydrophobicContact CD1-CD2 3.98Å; L33-Y41 HydrophobicContact CD1-CG 3.57Å; H37-Y41 PolarHBondContact O-N 3.28Å; V38-Y41 WeakPolarHBondContact O-CB 2.96Å; V38-Y41 PolarHBondContact O-N 3.13Å; V38-Y41 VanDerWaalsContact O-N 3.16Å; Y41-H43 VanDerWaalsContact C-N 3.3Å; Y41-H43 PolarHBondContact O-N 3.46Å; Y41-R44 PolarHBondContact O-N 3.04Å; Y41-R44 VanDerWaalsContact O-N 3.09Å; Y41-R45 HydrophobicContact CD2-CG 4.46Å; Y41-R45 HydrophobicContact CE2-CG 3.83Å; Y41-R45 PolarHBondContact O-N 3.45Å; Y41-V48 HydrophobicContact CE1-CG1 4.42Å; Y41-F261 AromaticContact CD2-CD2 3.64Å; Y41-F261 HydrophobicContact CD2-CD2 3.64Å; Y41-F261 AromaticContact CD2-CE2 3.66Å; Y41-F261 HydrophobicContact CD2-CE2 3.66Å; Y41-F261 AromaticContact CE2-CD2 3.49Å; Y41-F261 HydrophobicContact CE2-CD2 3.49Å; Y41-F261 VanDerWaalsContact CE2-CD2 3.49Å; Y41-F261 AromaticContact CE2-CE2 3.83Å; Y41-F261 HydrophobicContact CE2-CE2 3.83Å
42	L	90	Very high	88.4	Confident	1 Å²	1	45.9 Å²	45.9	1%	0.005	24%	0.236	C	C	.	.	H	α-helix	trans	-61.3	-37.2	177.4	-68.9	178.6	0	0	0	112.1	V38 R44 R45 V48 A49 L63 A64 L67	V38-L42 HydrophobicContact CG1-CD1 3.85Å; V38-L42 HydrophobicContact CG1-CG 4.06Å; V38-L42 WeakPolarHBondContact O-CG 3.46Å; V38-L42 PolarHBondContact O-N 2.75Å; L42-R44 VanDerWaalsContact C-N 3.32Å; L42-R44 PolarHBondContact O-N 3.03Å; L42-R45 CarbonylContact O-C 3.5Å; L42-R45 VanDerWaalsContact O-C 3.26Å; L42-R45 PolarHBondContact O-N 2.97Å; L42-R45 VanDerWaalsContact O-O 3.14Å; L42-V48 HydrophobicContact CD2-CB 4.47Å; L42-V48 HydrophobicContact CD2-CG1 3.95Å; L42-A49 HydrophobicContact CB-CB 4.26Å; L42-A49 HydrophobicContact CD2-CB 4.44Å; L42-L63 HydrophobicContact CD1-CB 4.4Å; L42-A64 HydrophobicContact CD1-CB 4.13Å; L42-L67 HydrophobicContact CB-CD1 4.21Å; L42-L67 HydrophobicContact CB-CD2 3.64Å
43	H	89.5	Confident	88.5	Confident	36 Å²	36	47.3 Å²	47.3	17%	0.167	24%	0.235	C	C	.	.	H	α-helix	trans	-60.6	-41.8	173.5	-179.6	75.4	0	0	0	112.3	K39 Y41 L67 E69 C70	K39-H43 WeakPolarHBondContact O-CB 3.41Å; K39-H43 PolarHBondContact O-N 2.87Å; K39-H43 VanDerWaalsContact O-N 3.1Å; Y41-H43 VanDerWaalsContact C-N 3.3Å; Y41-H43 PolarHBondContact O-N 3.46Å; H43-L67 HydrophobicContact CB-CB 4.37Å; H43-L67 PolarHBondContact ND1-O 3.11Å; H43-E69 WeakPolarHBondContact CB-O 3.44Å; H43-E69 PolarHBondContact CD2-O 2.77Å; H43-C70 VanDerWaalsContact CD2-CB 3.48Å; H43-C70 WeakPolarHBondContact CD2-CB 3.44Å
44	R	87.3	Confident	88.5	Confident	43 Å²	43	51.4 Å²	51.4	16%	0.162	27%	0.265	C	S	.	.	H	α-helix	trans	-71.5	-31.9	177.1	177.4	179.8	170.6	-170.6	-1.7	113.2	Y40 Y41 L42 P46 Y73 H256	Y40-R44 PolarHBondContact O-N 3.13Å; Y41-R44 PolarHBondContact O-N 3.04Å; Y41-R44 VanDerWaalsContact O-N 3.09Å; L42-R44 VanDerWaalsContact C-N 3.32Å; L42-R44 PolarHBondContact O-N 3.03Å; R44-P46 VanDerWaalsContact C-CD 3.45Å; R44-P46 WeakPolarHBondContact O-CD 3.45Å; R44-Y73 VanDerWaalsContact CD-OH 3.32Å; R44-Y73 WeakPolarHBondContact CD-OH 3.46Å; R44-Y73 PolarHBondContact NH1-OH 3.36Å; R44-H256 PolarHBondContact NH1-O 3.12Å; R44-H256 PolarHBondContact NH2-O 2.86Å
45	R	88.6	Confident	88.4	Confident	73 Å²	73	49.3 Å²	49.3	28%	0.275	25%	0.25	S	C	.	.			trans	-111.3	77.8	-177.9	-73	-66.3	-62.6	-87.9	-1.7	110.7	Y41 L42 D47 V48 A49 G259	Y41-R45 HydrophobicContact CD2-CG 4.46Å; Y41-R45 HydrophobicContact CE2-CG 3.83Å; Y41-R45 PolarHBondContact O-N 3.45Å; L42-R45 CarbonylContact O-C 3.5Å; L42-R45 VanDerWaalsContact O-C 3.26Å; L42-R45 PolarHBondContact O-N 2.97Å; L42-R45 VanDerWaalsContact O-O 3.14Å; R45-D47 VanDerWaalsContact C-OD1 3.31Å; R45-D47 WeakPolarHBondContact CA-OD1 3.39Å; R45-D47 IonicContact CZ-OD1 3.7Å; R45-D47 IonicContact CZ-OD2 3.73Å; R45-D47 IonicContact NE-OD1 3.8Å; R45-D47 PolarHBondContact NE-OD1 2.79Å; R45-D47 IonicContact NE-OD2 3.5Å; R45-D47 PolarHBondContact NE-OD2 3.07Å; R45-D47 IonicContact NH2-OD1 3.9Å; R45-D47 IonicContact NH2-OD2 3.99Å; R45-D47 PolarHBondContact NH2-OD2 2.91Å; R45-D47 PolarHBondContact O-N 3.1Å; R45-V48 HydrophobicContact CB-CB 4.09Å; R45-V48 HydrophobicContact CB-CG2 3.96Å; R45-V48 PolarHBondContact O-N 2.76Å; R45-V48 VanDerWaalsContact O-N 3.13Å; R45-A49 PolarHBondContact O-N 3.09Å; R45-G259 PolarHBondContact NH1-O 3.04Å
46	P	87.4	Confident	88.3	Confident	76 Å²	76	47.8 Å²	47.8	49%	0.494	26%	0.256	S	S	.	.	H	α-helix	trans	-63.1	-26.3	-178.7	26.7	-35.4	0	0	0	112.5	R44 A49 N50	R44-P46 VanDerWaalsContact C-CD 3.45Å; R44-P46 WeakPolarHBondContact O-CD 3.45Å; P46-A49 PolarHBondContact O-N 2.81Å; P46-N50 VanDerWaalsContact O-CB 3.29Å; P46-N50 WeakPolarHBondContact O-CB 3.17Å; P46-N50 PolarHBondContact O-N 2.97Å; P46-N50 PolarHBondContact O-ND2 2.77Å; P46-N50 PolarHBondContact O-OD1 3.06Å
47	D	88.3	Confident	88.3	Confident	84 Å²	84	47 Å²	47	45%	0.449	26%	0.261	S	S	.	.	H	α-helix	trans	-61.3	-47.8	173.2	58.8	-52.4	0	0	0	111.9	R45 N50 A51	R45-D47 VanDerWaalsContact C-OD1 3.31Å; R45-D47 WeakPolarHBondContact CA-OD1 3.39Å; R45-D47 IonicContact CZ-OD1 3.7Å; R45-D47 IonicContact CZ-OD2 3.73Å; R45-D47 IonicContact NE-OD1 3.8Å; R45-D47 PolarHBondContact NE-OD1 2.79Å; R45-D47 IonicContact NE-OD2 3.5Å; R45-D47 PolarHBondContact NE-OD2 3.07Å; R45-D47 IonicContact NH2-OD1 3.9Å; R45-D47 IonicContact NH2-OD2 3.99Å; R45-D47 PolarHBondContact NH2-OD2 2.91Å; R45-D47 PolarHBondContact O-N 3.1Å; D47-N50 PolarHBondContact O-N 2.84Å; D47-A51 PolarHBondContact O-N 3.26Å; D47-A51 VanDerWaalsContact O-N 3.11Å
48	V	88.4	Confident	88	Confident	24 Å²	24	46.4 Å²	46.4	15%	0.145	26%	0.259	C	S	.	.	H	α-helix	trans	-69.6	-39.7	176.7	-178.2	0	0	0	0	110.8	F31 Y41 L42 R45 N50 A51 C52	F31-V48 HydrophobicContact CE1-CG1 4.2Å; Y41-V48 HydrophobicContact CE1-CG1 4.42Å; L42-V48 HydrophobicContact CD2-CB 4.47Å; L42-V48 HydrophobicContact CD2-CG1 3.95Å; R45-V48 HydrophobicContact CB-CB 4.09Å; R45-V48 HydrophobicContact CB-CG2 3.96Å; R45-V48 PolarHBondContact O-N 2.76Å; R45-V48 VanDerWaalsContact O-N 3.13Å; V48-N50 VanDerWaalsContact C-N 3.35Å; V48-N50 PolarHBondContact O-N 2.88Å; V48-A51 PolarHBondContact O-N 2.01Å; V48-C52 WeakPolarHBondContact O-CB 3.47Å; V48-C52 PolarHBondContact O-N 3.38Å
49	A	88.2	Confident	87.6	Confident	0 Å²	0	50.9 Å²	50.9	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-62.3	-40.3	175.8	0	0	0	0	0	112.9	L42 R45 P46 C52 R53 L67	L42-A49 HydrophobicContact CB-CB 4.26Å; L42-A49 HydrophobicContact CD2-CB 4.44Å; R45-A49 PolarHBondContact O-N 3.09Å; P46-A49 PolarHBondContact O-N 2.81Å; A49-C52 PolarHBondContact O-N 2.77Å; A49-R53 WeakPolarHBondContact O-CG 3.5Å; A49-R53 PolarHBondContact O-N 2.91Å; A49-L67 HydrophobicContact CB-CD1 3.53Å
50	N	90	Very high	87.5	Confident	85 Å²	85	50.7 Å²	50.7	46%	0.455	29%	0.287	S	S	.	.	H	α-helix	trans	-65.5	-44.9	176.1	-71.4	-17	0	0	0	111.2	P46 D47 V48 C52 R53 S54	P46-N50 VanDerWaalsContact O-CB 3.29Å; P46-N50 WeakPolarHBondContact O-CB 3.17Å; P46-N50 PolarHBondContact O-N 2.97Å; P46-N50 PolarHBondContact O-ND2 2.77Å; P46-N50 PolarHBondContact O-OD1 3.06Å; D47-N50 PolarHBondContact O-N 2.84Å; V48-N50 VanDerWaalsContact C-N 3.35Å; V48-N50 PolarHBondContact O-N 2.88Å; N50-C52 VanDerWaalsContact C-N 3.31Å; N50-C52 PolarHBondContact O-N 2.7Å; N50-R53 PolarHBondContact O-N 2.96Å; N50-R53 VanDerWaalsContact O-N 3.17Å; N50-R53 PolarHBondContact OD1-NH2 3.15Å; N50-S54 PolarHBondContact O-N 3.26Å; N50-S54 PolarHBondContact O-OG 2.77Å
51	A	88.3	Confident	87.2	Confident	34 Å²	34	53.2 Å²	53.2	28%	0.281	30%	0.298	S	S	.	.	H	α-helix	trans	-59.2	-42.7	175.3	0	0	0	0	0	111.7	Y29 D47 V48 R53 S54 D55	Y29-A51 PolarHBondContact OH-O 2.82Å; D47-A51 PolarHBondContact O-N 3.26Å; D47-A51 VanDerWaalsContact O-N 3.11Å; V48-A51 PolarHBondContact O-N 2.01Å; A51-R53 PolarHBondContact O-N 2.79Å; A51-S54 WeakPolarHBondContact CA-OG 3.37Å; A51-S54 PolarHBondContact O-N 2.84Å; A51-S54 PolarHBondContact O-OG 3.11Å; A51-D55 WeakPolarHBondContact O-CB 3.46Å; A51-D55 PolarHBondContact O-N 2.85Å; A51-D55 VanDerWaalsContact O-N 3.11Å
52	C	87.8	Confident	86.8	Confident	0 Å²	0	55.3 Å²	55.3	0%	0	32%	0.323	C	S	.	.	H	α-helix	trans	-62.8	-37.3	174.5	-176.5	0	0	0	0	113.7	Y29 V48 A49 N50 D55 C58 Y60 H61 A64	Y29-C52 HydrophobicContact CE1-CB 3.69Å; Y29-C52 VanDerWaalsContact OH-CA 3.27Å; Y29-C52 WeakPolarHBondContact OH-CA 3.47Å; V48-C52 WeakPolarHBondContact O-CB 3.47Å; V48-C52 PolarHBondContact O-N 3.38Å; A49-C52 PolarHBondContact O-N 2.77Å; N50-C52 VanDerWaalsContact C-N 3.31Å; N50-C52 PolarHBondContact O-N 2.7Å; C52-D55 PolarHBondContact O-N 3.44Å; C52-D55 VanDerWaalsContact O-O 3.09Å; C52-C58 HydrophobicContact CB-CB 3.97Å; C52-C58 WeakPolarHBondContact CB-SG 3.18Å; C52-C58 WeakPolarHBondContact O-CB 3.33Å; C52-C58 WeakPolarHBondContact SG-CB 3.36Å; C52-C58 CovalentContact SG-SG 2.04Å; C52-C58 PolarHBondContact SG-SG 3Å; C52-Y60 VanDerWaalsContact SG-C 3.52Å; C52-H61 PolarHBondContact O-CD2 3.32Å; C52-A64 HydrophobicContact CB-CB 4.09Å
53	R	87.4	Confident	86.6	Confident	112 Å²	112	58.1 Å²	58.1	42%	0.423	34%	0.338	S	S	.	.	H	α-helix	trans	-72.1	-30	176.3	-74.9	-174.1	-76.2	-175.2	-6.5	113.4	A49 N50 A51 H61 A64	A49-R53 WeakPolarHBondContact O-CG 3.5Å; A49-R53 PolarHBondContact O-N 2.91Å; N50-R53 PolarHBondContact O-N 2.96Å; N50-R53 VanDerWaalsContact O-N 3.17Å; N50-R53 PolarHBondContact OD1-NH2 3.15Å; A51-R53 PolarHBondContact O-N 2.79Å; R53-H61 PolarHBondContact O-NE2 2.87Å; R53-A64 WeakPolarHBondContact CD-O 3.33Å; R53-A64 HydrophobicContact CG-CB 3.78Å
54	S	87.3	Confident	86.4	Confident	99 Å²	99	56.4 Å²	56.4	69%	0.692	33%	0.33	S	S	*	.	H	α-helix	trans	-80.4	-19.7	176.3	53.2	0	0	0	0	113.4	N50 A51	N50-S54 PolarHBondContact O-N 3.26Å; N50-S54 PolarHBondContact O-OG 2.77Å; A51-S54 WeakPolarHBondContact CA-OG 3.37Å; A51-S54 PolarHBondContact O-N 2.84Å; A51-S54 PolarHBondContact O-OG 3.11Å
55	D	85.8	Confident	86.3	Confident	21 Å²	21	60.4 Å²	60.4	11%	0.112	35%	0.351	C	S	.	.			trans	-102.8	109.5	-176.6	-171	-11.5	0	0	0	110.5	G27 Y29 A51 C52 S57 C58	G27-D55 PolarHBondContact N-OD2 3.19Å; Y29-D55 WeakPolarHBondContact OH-CB 3.31Å; Y29-D55 PolarHBondContact OH-OD2 3.45Å; A51-D55 WeakPolarHBondContact O-CB 3.46Å; A51-D55 PolarHBondContact O-N 2.85Å; A51-D55 VanDerWaalsContact O-N 3.11Å; C52-D55 PolarHBondContact O-N 3.44Å; C52-D55 VanDerWaalsContact O-O 3.09Å; D55-S57 PolarHBondContact O-N 3.17Å; D55-S57 VanDerWaalsContact O-N 3.13Å; D55-S57 WeakPolarHBondContact OD1-CA 3.38Å; D55-S57 VanDerWaalsContact OD1-CB 3.31Å; D55-S57 WeakPolarHBondContact OD1-CB 3.44Å; D55-S57 PolarHBondContact OD1-N 3.04Å; D55-S57 PolarHBondContact OD1-OG 2.97Å; D55-S57 PolarHBondContact OD2-OG 2.93Å; D55-C58 HydrophobicContact CB-CB 4.43Å; D55-C58 WeakPolarHBondContact O-CB 3.48Å; D55-C58 PolarHBondContact O-N 2.81Å
56	S	82.2	Confident	86	Confident	121 Å²	121	62.3 Å²	62.3	85%	0.846	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.8	-16.8	176.1	54.2	0	0	0	0	113.6
57	S	85	Confident	85.9	Confident	80 Å²	80	60.5 Å²	60.5	56%	0.559	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.9	-4.7	176.8	75.3	0	0	0	0	113.6	D55 P59	D55-S57 PolarHBondContact O-N 3.17Å; D55-S57 VanDerWaalsContact O-N 3.13Å; D55-S57 WeakPolarHBondContact OD1-CA 3.38Å; D55-S57 VanDerWaalsContact OD1-CB 3.31Å; D55-S57 WeakPolarHBondContact OD1-CB 3.44Å; D55-S57 PolarHBondContact OD1-N 3.04Å; D55-S57 PolarHBondContact OD1-OG 2.97Å; D55-S57 PolarHBondContact OD2-OG 2.93Å; S57-P59 WeakPolarHBondContact O-CD 3.37Å
58	C	83.4	Confident	85.8	Confident	7 Å²	7	61.3 Å²	61.3	5%	0.047	36%	0.357	C	S	.	.			trans	-64.1	120.7	178.7	-174.5	0	0	0	0	111	Y29 C52 D55 Y60 H61	Y29-C58 HydrophobicContact CD2-CB 4.41Å; Y29-C58 HydrophobicContact CE1-CB 4.1Å; Y29-C58 WeakPolarHBondContact CE1-SG 3.23Å; Y29-C58 HydrophobicContact CE2-CB 3.65Å; Y29-C58 VanDerWaalsContact CZ-CB 3.5Å; C52-C58 HydrophobicContact CB-CB 3.97Å; C52-C58 WeakPolarHBondContact CB-SG 3.18Å; C52-C58 WeakPolarHBondContact O-CB 3.33Å; C52-C58 WeakPolarHBondContact SG-CB 3.36Å; C52-C58 CovalentContact SG-SG 2.04Å; C52-C58 PolarHBondContact SG-SG 3Å; D55-C58 HydrophobicContact CB-CB 4.43Å; D55-C58 WeakPolarHBondContact O-CB 3.48Å; D55-C58 PolarHBondContact O-N 2.81Å; C58-Y60 PolarHBondContact O-N 3.26Å; C58-Y60 VanDerWaalsContact O-N 3.11Å; C58-H61 HydrophobicContact CB-CB 4.46Å; C58-H61 WeakPolarHBondContact O-CB 3.43Å; C58-H61 PolarHBondContact O-N 3.33Å
59	P	83.7	Confident	85.8	Confident	95 Å²	95	63.2 Å²	63.2	62%	0.617	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.4	-20.3	179.1	25.1	-33.1	0	0	0	112.8	S57	S57-P59 WeakPolarHBondContact O-CD 3.37Å
60	Y	86.1	Confident	86	Confident	55 Å²	55	63.2 Å²	63.2	22%	0.216	36%	0.364	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.2	15.4	-177.8	-49.6	-63.2	0	0	0	113.5	F31 V38 C52 C58 G62 L63 A64	F31-Y60 HydrophobicContact CE1-CE2 4.45Å; F31-Y60 HydrophobicContact CE2-CD2 4.34Å; F31-Y60 AromaticContact CE2-CE2 3.86Å; F31-Y60 HydrophobicContact CE2-CE2 3.86Å; F31-Y60 AromaticContact CZ-CD2 3.67Å; F31-Y60 HydrophobicContact CZ-CD2 3.67Å; F31-Y60 AromaticContact CZ-CE2 3.56Å; F31-Y60 HydrophobicContact CZ-CE2 3.56Å; V38-Y60 HydrophobicContact CG1-CD1 3.85Å; V38-Y60 HydrophobicContact CG1-CD2 4.13Å; V38-Y60 HydrophobicContact CG1-CE1 4.24Å; V38-Y60 HydrophobicContact CG1-CE2 4.49Å; V38-Y60 HydrophobicContact CG1-CG 3.78Å; V38-Y60 HydrophobicContact CG2-CD1 4.49Å; V38-Y60 HydrophobicContact CG2-CE1 4.11Å; C52-Y60 VanDerWaalsContact SG-C 3.52Å; C58-Y60 PolarHBondContact O-N 3.26Å; C58-Y60 VanDerWaalsContact O-N 3.11Å; Y60-G62 VanDerWaalsContact C-N 3.29Å; Y60-G62 PolarHBondContact O-N 3.01Å; Y60-L63 HydrophobicContact CD1-CD1 4.13Å; Y60-L63 WeakPolarHBondContact O-CB 3.45Å; Y60-L63 PolarHBondContact O-N 3.22Å; Y60-A64 PolarHBondContact O-N 2.63Å
61	H	84.5	Confident	86.1	Confident	60 Å²	60	59.1 Å²	59.1	28%	0.278	34%	0.342	S	S	.	.	H	α-helix	trans	-49.7	-48.3	-176.5	-172.8	-79.2	0	0	0	112.4	C52 R53 C58 L63 A64 E65	C52-H61 PolarHBondContact O-CD2 3.32Å; R53-H61 PolarHBondContact O-NE2 2.87Å; C58-H61 HydrophobicContact CB-CB 4.46Å; C58-H61 WeakPolarHBondContact O-CB 3.43Å; C58-H61 PolarHBondContact O-N 3.33Å; H61-L63 VanDerWaalsContact C-N 3.31Å; H61-L63 PolarHBondContact O-N 3.48Å; H61-A64 PolarHBondContact O-N 2.81Å; H61-A64 VanDerWaalsContact O-N 3.14Å; H61-E65 IonicContact CE1-OE1 3.22Å; H61-E65 PolarHBondContact CE1-OE1 3.3Å; H61-E65 IonicContact ND1-OE1 2.63Å; H61-E65 PolarHBondContact ND1-OE1 3.05Å; H61-E65 PolarHBondContact O-N 2.99Å
62	G	84.5	Confident	86.2	Confident	55 Å²	55	57.5 Å²	57.5	57%	0.567	33%	0.329	S	S	*	.	H	α-helix	trans	-63.9	-30.6	178.7	0	0	0	0	0	114.5	Y60	Y60-G62 VanDerWaalsContact C-N 3.29Å; Y60-G62 PolarHBondContact O-N 3.01Å
63	L	85.6	Confident	86.4	Confident	61 Å²	61	57.9 Å²	57.9	32%	0.319	33%	0.33	S	S	.	.	H	α-helix	trans	-75.6	-33.2	174.7	-65.9	174.9	0	0	0	111.7	V38 L42 Y60 H61 E65 L67	V38-L63 HydrophobicContact CB-CD1 4.31Å; V38-L63 HydrophobicContact CG1-CD1 4.23Å; L42-L63 HydrophobicContact CD1-CB 4.4Å; Y60-L63 HydrophobicContact CD1-CD1 4.13Å; Y60-L63 WeakPolarHBondContact O-CB 3.45Å; Y60-L63 PolarHBondContact O-N 3.22Å; H61-L63 VanDerWaalsContact C-N 3.31Å; H61-L63 PolarHBondContact O-N 3.48Å; L63-E65 VanDerWaalsContact C-N 3.29Å; L63-E65 PolarHBondContact O-N 3.03Å; L63-L67 WeakPolarHBondContact O-CD2 3.5Å
64	A	85.3	Confident	86.5	Confident	0 Å²	0	53.2 Å²	53.2	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-71.5	-21.5	-178.6	0	0	0	0	0	113.4	L42 C52 R53 Y60 H61	L42-A64 HydrophobicContact CD1-CB 4.13Å; C52-A64 HydrophobicContact CB-CB 4.09Å; R53-A64 WeakPolarHBondContact CD-O 3.33Å; R53-A64 HydrophobicContact CG-CB 3.78Å; Y60-A64 PolarHBondContact O-N 2.63Å; H61-A64 PolarHBondContact O-N 2.81Å; H61-A64 VanDerWaalsContact O-N 3.14Å
65	E	83.6	Confident	86.4	Confident	127 Å²	127	55 Å²	55	59%	0.593	32%	0.322	S	S	*	.	H	α-helix	trans	-70.6	-35.5	177.2	-72.9	179.4	-170.2	0	0	113.3	H61 L63	H61-E65 IonicContact CE1-OE1 3.22Å; H61-E65 PolarHBondContact CE1-OE1 3.3Å; H61-E65 IonicContact ND1-OE1 2.63Å; H61-E65 PolarHBondContact ND1-OE1 3.05Å; H61-E65 PolarHBondContact O-N 2.99Å; L63-E65 VanDerWaalsContact C-N 3.29Å; L63-E65 PolarHBondContact O-N 3.03Å
66	N	83.8	Confident	86.3	Confident	112 Å²	112	59.2 Å²	59.2	60%	0.599	35%	0.345	S	S	*	.			trans	-121.8	73.1	-172.7	-169.5	6.5	0	0	0	112.9	N68	N66-N68 PolarHBondContact O-N 2.99Å; N66-N68 PolarHBondContact OD1-ND2 3.04Å
67	L	85.6	Confident	86.5	Confident	39 Å²	39	53.6 Å²	53.6	20%	0.204	31%	0.306	C	S	.	.			trans	-90.6	75.3	-177.5	-62.5	176	0	0	0	112.8	L42 H43 A49 L63	L42-L67 HydrophobicContact CB-CD1 4.21Å; L42-L67 HydrophobicContact CB-CD2 3.64Å; H43-L67 HydrophobicContact CB-CB 4.37Å; H43-L67 PolarHBondContact ND1-O 3.11Å; A49-L67 HydrophobicContact CB-CD1 3.53Å; L63-L67 WeakPolarHBondContact O-CD2 3.5Å
68	N	85.9	Confident	86.5	Confident	100 Å²	100	51 Å²	51	54%	0.535	29%	0.291	S	S	.	.			trans	-103.9	-4.1	178.8	-81.3	-38.6	0	0	0	114.6	N66 R82	N66-N68 PolarHBondContact O-N 2.99Å; N66-N68 PolarHBondContact OD1-ND2 3.04Å; N68-R82 WeakPolarHBondContact O-CB 2.94Å; N68-R82 VanDerWaalsContact O-CD 3.24Å; N68-R82 WeakPolarHBondContact O-CD 3.36Å
69	E	88.9	Confident	86.7	Confident	64 Å²	64	51.8 Å²	51.8	30%	0.299	29%	0.294	S	S	.	.			trans	-114.2	144.7	-174.7	-63.8	-172.4	-156.5	0	0	112	K39 Y40 H43 R82	K39-E69 WeakPolarHBondContact CE-OE2 3.28Å; K39-E69 IonicContact NZ-OE1 2.79Å; K39-E69 PolarHBondContact NZ-OE1 2.7Å; K39-E69 IonicContact NZ-OE2 3.8Å; K39-E69 PolarHBondContact NZ-OE2 3.16Å; Y40-E69 HydrophobicContact CD1-CB 3.81Å; Y40-E69 HydrophobicContact CE1-CB 3.54Å; Y40-E69 HydrophobicContact CE1-CG 4.42Å; Y40-E69 WeakPolarHBondContact CE1-OE2 3.41Å; Y40-E69 PolarHBondContact OH-OE2 3.15Å; H43-E69 WeakPolarHBondContact CB-O 3.44Å; H43-E69 PolarHBondContact CD2-O 2.77Å; E69-R82 WeakPolarHBondContact CA-O 3.18Å
70	C	91.5	Very high	86.8	Confident	0 Å²	0	50.1 Å²	50.1	0%	0	28%	0.282	C	S	.	.	B	Isolated β-bridge	trans	-134.3	168.4	-173.1	73.6	0	0	0	0	112.2	Y40 H43 G72 C77 R82 S83 Y84	Y40-C70 VanDerWaalsContact CD1-C 3.5Å; Y40-C70 WeakPolarHBondContact CD1-O 3.48Å; H43-C70 VanDerWaalsContact CD2-CB 3.48Å; H43-C70 WeakPolarHBondContact CD2-CB 3.44Å; C70-G72 PolarHBondContact SG-N 2.94Å; C70-C77 HydrophobicContact CB-CB 3.47Å; C70-C77 VanDerWaalsContact CB-CB 3.47Å; C70-C77 WeakPolarHBondContact CB-SG 3.43Å; C70-C77 WeakPolarHBondContact SG-CB 3.38Å; C70-C77 CovalentContact SG-SG 2Å; C70-C77 PolarHBondContact SG-SG 3.16Å; C70-R82 PolarHBondContact N-O 3.35Å; C70-R82 VanDerWaalsContact N-O 3.08Å; C70-S83 CarbonylContact O-C 3.52Å; C70-S83 WeakPolarHBondContact O-CA 3.11Å; C70-Y84 PolarHBondContact O-N 2.59Å
71	W	91.8	Very high	86.7	Confident	0 Å²	0	55.4 Å²	55.4	0%	0	31%	0.306	C	S	.	.			trans	-75.3	-29.1	174.1	-65.5	102.3	0	0	0	112.8	H37 Y40 Y73 E74 Y84 F115 H256	H37-W71 HydrophobicContact CB-CH2 3.7Å; H37-W71 HydrophobicContact CB-CZ2 4.07Å; H37-W71 AromaticContact CD2-CH2 3.8Å; H37-W71 AromaticContact CG-CH2 3.55Å; H37-W71 AromaticContact ND1-CH2 3.84Å; Y40-W71 VanDerWaalsContact C-NE1 3.31Å; Y40-W71 HydrophobicContact CD2-CH2 4.33Å; Y40-W71 HydrophobicContact CD2-CZ3 4.48Å; Y40-W71 HydrophobicContact CG-CD2 4.39Å; Y40-W71 HydrophobicContact CG-CE3 4.48Å; Y40-W71 HydrophobicContact CG-CH2 4.48Å; Y40-W71 HydrophobicContact CG-CZ2 4.38Å; Y40-W71 PolarHBondContact O-NE1 2.96Å; W71-Y73 HydrophobicContact CB-CD1 3.55Å; W71-Y73 HydrophobicContact CB-CE1 3.16Å; W71-Y73 HydrophobicContact CB-CE2 4.41Å; W71-Y73 HydrophobicContact CB-CG 4.26Å; W71-Y73 AromaticContact CD1-CE1 3.94Å; W71-Y73 AromaticContact CD1-CZ 3.62Å; W71-Y73 HydrophobicContact CD2-CE1 4.24Å; W71-Y73 HydrophobicContact CG-CD1 4.33Å; W71-Y73 AromaticContact CG-CE1 3.46Å; W71-Y73 HydrophobicContact CG-CE1 3.46Å; W71-Y73 VanDerWaalsContact CG-CE1 3.46Å; W71-Y73 AromaticContact CG-CZ 3.65Å; W71-E74 WeakPolarHBondContact CB-OE1 3.43Å; W71-E74 VanDerWaalsContact CD1-OE1 3.23Å; W71-E74 PolarHBondContact N-OE1 2.8Å; W71-E74 PolarHBondContact N-OE2 2.86Å; W71-Y84 HydrophobicContact CE3-CD2 4.19Å; W71-Y84 AromaticContact CE3-CG 3.96Å; W71-Y84 HydrophobicContact CE3-CG 3.96Å; W71-Y84 HydrophobicContact CH2-CD2 4.37Å; W71-Y84 HydrophobicContact CZ3-CD1 4.33Å; W71-Y84 AromaticContact CZ3-CD2 3.6Å; W71-Y84 HydrophobicContact CZ3-CD2 3.6Å; W71-Y84 HydrophobicContact CZ3-CE2 4.12Å; W71-Y84 AromaticContact CZ3-CG 3.76Å; W71-Y84 HydrophobicContact CZ3-CG 3.76Å; W71-F115 HydrophobicContact CD2-CD1 4.37Å; W71-F115 HydrophobicContact CD2-CE1 4.28Å; W71-F115 AromaticContact CE3-CD1 3.8Å; W71-F115 HydrophobicContact CE3-CD1 3.8Å; W71-F115 AromaticContact CE3-CD2 3.78Å; W71-F115 HydrophobicContact CE3-CD2 3.78Å; W71-F115 AromaticContact CE3-CE1 3.57Å; W71-F115 HydrophobicContact CE3-CE1 3.57Å; W71-F115 AromaticContact CE3-CE2 3.54Å; W71-F115 HydrophobicContact CE3-CE2 3.54Å; W71-F115 AromaticContact CE3-CG 3.93Å; W71-F115 HydrophobicContact CE3-CG 3.93Å; W71-F115 AromaticContact CE3-CZ 3.44Å; W71-F115 HydrophobicContact CE3-CZ 3.44Å; W71-F115 VanDerWaalsContact CE3-CZ 3.44Å; W71-F115 HydrophobicContact CH2-CE1 4.46Å; W71-F115 HydrophobicContact CH2-CZ 4.07Å; W71-F115 HydrophobicContact CZ3-CD1 4.37Å; W71-F115 HydrophobicContact CZ3-CD2 4.18Å; W71-F115 AromaticContact CZ3-CE1 3.69Å; W71-F115 HydrophobicContact CZ3-CE1 3.69Å; W71-F115 AromaticContact CZ3-CE2 3.45Å; W71-F115 HydrophobicContact CZ3-CE2 3.45Å; W71-F115 VanDerWaalsContact CZ3-CE2 3.45Å; W71-F115 AromaticContact CZ3-CZ 3.17Å; W71-F115 HydrophobicContact CZ3-CZ 3.17Å; W71-H256 AromaticContact CD2-CE1 3.89Å; W71-H256 AromaticContact CE2-CE1 3.61Å; W71-H256 AromaticContact CZ2-CE1 3.71Å
72	G	90.5	Very high	86.9	Confident	0 Å²	0	57.3 Å²	57.3	0%	0	31%	0.311	C	S	.	.	S	Bend	trans	95	-3.9	-177.7	0	0	0	0	0	114.2	C70 E74 C77 G78 W110	C70-G72 PolarHBondContact SG-N 2.94Å; G72-E74 WeakPolarHBondContact CA-OE2 3.27Å; G72-E74 PolarHBondContact N-OE2 2.99Å; G72-C77 CarbonylContact C-O 3.59Å; G72-C77 WeakPolarHBondContact CA-O 3.44Å; G72-G78 VanDerWaalsContact CA-O 3.22Å; G72-G78 WeakPolarHBondContact CA-O 3.49Å; G72-G78 CarbonylContact O-C 3.48Å; G72-G78 VanDerWaalsContact O-CA 3.29Å; G72-G78 WeakPolarHBondContact O-CA 3.49Å; G72-W110 WeakPolarHBondContact O-CH2 3.31Å; G72-W110 WeakPolarHBondContact O-CZ2 3.3Å
73	Y	91.9	Very high	87.1	Confident	8 Å²	8	54.9 Å²	54.9	3%	0.031	29%	0.285	C	S	.	.			trans	-92.3	-9.9	172.5	60.9	-113.8	0	0	0	113.1	R44 W71 F115 I118 H256	R44-Y73 VanDerWaalsContact CD-OH 3.32Å; R44-Y73 WeakPolarHBondContact CD-OH 3.46Å; R44-Y73 PolarHBondContact NH1-OH 3.36Å; W71-Y73 HydrophobicContact CB-CD1 3.55Å; W71-Y73 HydrophobicContact CB-CE1 3.16Å; W71-Y73 HydrophobicContact CB-CE2 4.41Å; W71-Y73 HydrophobicContact CB-CG 4.26Å; W71-Y73 AromaticContact CD1-CE1 3.94Å; W71-Y73 AromaticContact CD1-CZ 3.62Å; W71-Y73 HydrophobicContact CD2-CE1 4.24Å; W71-Y73 HydrophobicContact CG-CD1 4.33Å; W71-Y73 AromaticContact CG-CE1 3.46Å; W71-Y73 HydrophobicContact CG-CE1 3.46Å; W71-Y73 VanDerWaalsContact CG-CE1 3.46Å; W71-Y73 AromaticContact CG-CZ 3.65Å; Y73-F115 HydrophobicContact CD1-CB 3.98Å; Y73-F115 HydrophobicContact CD1-CD1 4.15Å; Y73-F115 HydrophobicContact CD1-CG 4.46Å; Y73-F115 AromaticContact CE1-CD1 3.9Å; Y73-F115 HydrophobicContact CE1-CD1 3.9Å; Y73-I118 HydrophobicContact CD1-CB 4.22Å; Y73-I118 HydrophobicContact CD1-CD1 4.28Å; Y73-I118 HydrophobicContact CD1-CG2 4.19Å; Y73-I118 HydrophobicContact CD2-CG2 4.46Å; Y73-I118 HydrophobicContact CE1-CD1 4.25Å; Y73-I118 HydrophobicContact CG-CB 4.5Å; Y73-I118 HydrophobicContact CG-CG2 4.23Å; Y73-H256 AromaticContact CE1-ND1 3.53Å; Y73-H256 AromaticContact CZ-ND1 3.55Å; Y73-H256 PolarHBondContact OH-ND1 3.22Å
74	E	89.2	Confident	87.3	Confident	14 Å²	14	53.5 Å²	53.5	7%	0.065	28%	0.276	C	S	.	.	S	Bend	trans	-64.5	153.7	179.7	-59.2	89.1	160.7	0	0	111.4	W71 G72 D76 C77	W71-E74 WeakPolarHBondContact CB-OE1 3.43Å; W71-E74 VanDerWaalsContact CD1-OE1 3.23Å; W71-E74 PolarHBondContact N-OE1 2.8Å; W71-E74 PolarHBondContact N-OE2 2.86Å; G72-E74 WeakPolarHBondContact CA-OE2 3.27Å; G72-E74 PolarHBondContact N-OE2 2.99Å; E74-D76 VanDerWaalsContact C-N 3.27Å; E74-D76 WeakPolarHBondContact CB-OD1 3.42Å; E74-D76 PolarHBondContact O-N 2.88Å; E74-C77 HydrophobicContact CB-CB 4.1Å; E74-C77 PolarHBondContact N-O 3.44Å; E74-C77 CarbonylContact O-C 3.57Å; E74-C77 PolarHBondContact O-N 3.47Å
75	P	85.4	Confident	87.4	Confident	136 Å²	136	53.5 Å²	53.5	88%	0.883	28%	0.276	S	S	*	.	S	Bend	trans	-61.1	-35.9	-179.3	-22.2	33.8	0	0	0	113.5
76	D	84.8	Confident	87.5	Confident	110 Å²	110	49.6 Å²	49.6	59%	0.588	26%	0.256	S	S	*	.	S	Bend	trans	-93.5	-8.3	-178.8	66.4	-49.2	0	0	0	113.1	E74	E74-D76 VanDerWaalsContact C-N 3.27Å; E74-D76 WeakPolarHBondContact CB-OD1 3.42Å; E74-D76 PolarHBondContact O-N 2.88Å
77	C	85.8	Confident	87.4	Confident	2 Å²	2	51.1 Å²	51.1	1%	0.014	26%	0.264	C	S	.	.			trans	-131.8	111.9	179.8	-148.7	0	0	0	0	112.1	C70 G72 E74 R82	C70-C77 HydrophobicContact CB-CB 3.47Å; C70-C77 VanDerWaalsContact CB-CB 3.47Å; C70-C77 WeakPolarHBondContact CB-SG 3.43Å; C70-C77 WeakPolarHBondContact SG-CB 3.38Å; C70-C77 CovalentContact SG-SG 2Å; C70-C77 PolarHBondContact SG-SG 3.16Å; G72-C77 CarbonylContact C-O 3.59Å; G72-C77 WeakPolarHBondContact CA-O 3.44Å; E74-C77 HydrophobicContact CB-CB 4.1Å; E74-C77 PolarHBondContact N-O 3.44Å; E74-C77 CarbonylContact O-C 3.57Å; E74-C77 PolarHBondContact O-N 3.47Å; C77-R82 PolarHBondContact SG-NE 2.84Å; C77-R82 PolarHBondContact SG-NH2 3.34Å
78	G	85.8	Confident	87.2	Confident	25 Å²	25	54.1 Å²	54.1	26%	0.258	27%	0.273	S	S	.	.			trans	-93.6	-162.7	174.2	0	0	0	0	0	113.7	G72 V80	G72-G78 VanDerWaalsContact CA-O 3.22Å; G72-G78 WeakPolarHBondContact CA-O 3.49Å; G72-G78 CarbonylContact O-C 3.48Å; G72-G78 VanDerWaalsContact O-CA 3.29Å; G72-G78 WeakPolarHBondContact O-CA 3.49Å; G78-V80 VanDerWaalsContact C-N 3.35Å; G78-V80 WeakPolarHBondContact O-CG2 3.38Å; G78-V80 PolarHBondContact O-N 2.89Å
79	F	86.1	Confident	86.8	Confident	25 Å²	25	49.9 Å²	49.9	11%	0.11	25%	0.25	C	S	.	.	S	Bend	trans	-72.1	87	168.9	-173.6	-115.9	0	0	0	111	W86 R106 M107 W110	F79-W86 AromaticContact CD1-CE3 3.85Å; F79-W86 HydrophobicContact CD1-CE3 3.85Å; F79-W86 AromaticContact CD1-CZ3 3.75Å; F79-W86 HydrophobicContact CD1-CZ3 3.75Å; F79-W86 HydrophobicContact CD2-CE3 4.32Å; F79-W86 AromaticContact CE1-CE3 3.6Å; F79-W86 HydrophobicContact CE1-CE3 3.6Å; F79-W86 AromaticContact CE1-CZ3 3.64Å; F79-W86 HydrophobicContact CE1-CZ3 3.64Å; F79-W86 HydrophobicContact CE2-CE3 4.1Å; F79-W86 HydrophobicContact CG-CE3 4.2Å; F79-W86 HydrophobicContact CG-CZ3 4.44Å; F79-W86 AromaticContact CZ-CE3 3.73Å; F79-W86 HydrophobicContact CZ-CE3 3.73Å; F79-W86 HydrophobicContact CZ-CZ3 4.25Å; F79-W86 WeakPolarHBondContact O-CZ3 3.44Å; F79-R106 HydrophobicContact CE1-CB 3.72Å; F79-R106 HydrophobicContact CZ-CB 3.8Å; F79-M107 HydrophobicContact CD1-CB 4.21Å; F79-M107 HydrophobicContact CD1-CG 4.49Å; F79-W110 HydrophobicContact CB-CD2 3.87Å; F79-W110 HydrophobicContact CB-CE3 3.72Å; F79-W110 HydrophobicContact CB-CG 4.46Å; F79-W110 HydrophobicContact CB-CH2 4.41Å; F79-W110 HydrophobicContact CB-CZ3 3.97Å; F79-W110 HydrophobicContact CD2-CB 3.9Å; F79-W110 AromaticContact CD2-CD1 3.73Å; F79-W110 AromaticContact CD2-CD2 3.74Å; F79-W110 HydrophobicContact CD2-CD2 3.74Å; F79-W110 HydrophobicContact CD2-CE3 4.38Å; F79-W110 AromaticContact CD2-CG 3.47Å; F79-W110 HydrophobicContact CD2-CG 3.47Å; F79-W110 VanDerWaalsContact CD2-CG 3.47Å; F79-W110 HydrophobicContact CE2-CB 3.95Å; F79-W110 AromaticContact CE2-CG 3.9Å; F79-W110 HydrophobicContact CE2-CG 3.9Å; F79-W110 HydrophobicContact CG-CB 4.38Å; F79-W110 HydrophobicContact CG-CD2 4.01Å; F79-W110 HydrophobicContact CG-CE3 4.18Å; F79-W110 HydrophobicContact CG-CG 4.09Å; F79-W110 HydrophobicContact CZ-CB 4.46Å
80	V	86	Confident	86.1	Confident	59 Å²	59	54.3 Å²	54.3	36%	0.358	28%	0.276	S	S	.	.	S	Bend	trans	-129	170.8	-175.5	-67.2	0	0	0	0	111.5	G78 R82 S83 W86	G78-V80 VanDerWaalsContact C-N 3.35Å; G78-V80 WeakPolarHBondContact O-CG2 3.38Å; G78-V80 PolarHBondContact O-N 2.89Å; V80-R82 HydrophobicContact CG2-CG 3.63Å; V80-R82 PolarHBondContact O-N 3.48Å; V80-S83 PolarHBondContact N-OG 3.44Å; V80-S83 VanDerWaalsContact O-CB 3.31Å; V80-S83 WeakPolarHBondContact O-CB 3.35Å; V80-S83 PolarHBondContact O-N 3.1Å; V80-S83 PolarHBondContact O-OG 3.45Å; V80-W86 VanDerWaalsContact C-CE3 3.49Å; V80-W86 VanDerWaalsContact O-CB 3.26Å; V80-W86 WeakPolarHBondContact O-CB 3.21Å
81	K	84	Confident	85	Confident	167 Å²	167	55.6 Å²	55.6	73%	0.726	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.2	-34.1	-177.9	-75.2	-174.9	177.3	-178.1	0	115.2	S83 W86	K81-S83 VanDerWaalsContact C-N 3.34Å; K81-W86 HydrophobicContact CG-CD2 4.46Å; K81-W86 HydrophobicContact CG-CZ2 4.02Å
82	R	88.1	Confident	84	Confident	99 Å²	99	57 Å²	57	37%	0.374	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.3	-1.7	179.1	72.3	-173	-171.5	156.4	0.9	114.5	N68 E69 C70 C77 V80	N68-R82 WeakPolarHBondContact O-CB 2.94Å; N68-R82 VanDerWaalsContact O-CD 3.24Å; N68-R82 WeakPolarHBondContact O-CD 3.36Å; E69-R82 WeakPolarHBondContact CA-O 3.18Å; C70-R82 PolarHBondContact N-O 3.35Å; C70-R82 VanDerWaalsContact N-O 3.08Å; C77-R82 PolarHBondContact SG-NE 2.84Å; C77-R82 PolarHBondContact SG-NH2 3.34Å; V80-R82 HydrophobicContact CG2-CG 3.63Å; V80-R82 PolarHBondContact O-N 3.48Å
83	S	89.3	Confident	82.8	Confident	5 Å²	5	65.5 Å²	65.5	4%	0.035	33%	0.332	C	S	.	.	B	Isolated β-bridge	trans	-78.6	143.5	178.2	65.2	0	0	0	0	111.1	C70 V80 K81 S85 W86	C70-S83 CarbonylContact O-C 3.52Å; C70-S83 WeakPolarHBondContact O-CA 3.11Å; V80-S83 PolarHBondContact N-OG 3.44Å; V80-S83 VanDerWaalsContact O-CB 3.31Å; V80-S83 WeakPolarHBondContact O-CB 3.35Å; V80-S83 PolarHBondContact O-N 3.1Å; V80-S83 PolarHBondContact O-OG 3.45Å; K81-S83 VanDerWaalsContact C-N 3.34Å; S83-S85 PolarHBondContact O-N 2.78Å; S83-S85 VanDerWaalsContact O-N 3.13Å; S83-W86 WeakPolarHBondContact O-CB 3.3Å; S83-W86 PolarHBondContact O-N 2.94Å
84	Y	90.2	Very high	81.3	Confident	31 Å²	31	69.8 Å²	69.8	12%	0.122	35%	0.35	C	S	.	.	T	Hydrogen-bonded Turn	trans	-43	-49.4	179.6	175.6	-88.9	0	0	0	112.8	H37 Y40 C70 W71 W86 R88 F115	H37-Y84 AromaticContact CD2-CE2 3.57Å; H37-Y84 AromaticContact NE2-CE2 3.52Å; H37-Y84 AromaticContact NE2-CZ 3.6Å; H37-Y84 PolarHBondContact NE2-OH 3.32Å; Y40-Y84 AromaticContact CD2-CD2 3.78Å; Y40-Y84 HydrophobicContact CD2-CD2 3.78Å; Y40-Y84 VanDerWaalsContact CE1-CA 3.49Å; Y40-Y84 HydrophobicContact CE1-CD2 4.24Å; Y40-Y84 AromaticContact CE2-CD2 3.37Å; Y40-Y84 HydrophobicContact CE2-CD2 3.37Å; Y40-Y84 HydrophobicContact CE2-CE2 4.08Å; Y40-Y84 HydrophobicContact CE2-CG 4.35Å; Y40-Y84 HydrophobicContact CG-CD2 4.39Å; Y40-Y84 AromaticContact CZ-CD2 3.62Å; C70-Y84 PolarHBondContact O-N 2.59Å; W71-Y84 HydrophobicContact CE3-CD2 4.19Å; W71-Y84 AromaticContact CE3-CG 3.96Å; W71-Y84 HydrophobicContact CE3-CG 3.96Å; W71-Y84 HydrophobicContact CH2-CD2 4.37Å; W71-Y84 HydrophobicContact CZ3-CD1 4.33Å; W71-Y84 AromaticContact CZ3-CD2 3.6Å; W71-Y84 HydrophobicContact CZ3-CD2 3.6Å; W71-Y84 HydrophobicContact CZ3-CE2 4.12Å; W71-Y84 AromaticContact CZ3-CG 3.76Å; W71-Y84 HydrophobicContact CZ3-CG 3.76Å; Y84-W86 VanDerWaalsContact C-N 3.3Å; Y84-W86 PolarHBondContact O-N 3.36Å; Y84-R88 VanDerWaalsContact CE1-CD 3.48Å; Y84-R88 VanDerWaalsContact CE2-NH2 3.29Å; Y84-R88 VanDerWaalsContact CZ-CZ 3.41Å; Y84-R88 PolarHBondContact O-NH1 3.02Å; Y84-R88 PolarHBondContact OH-NE 2.88Å; Y84-F115 AromaticContact CD1-CD2 3.68Å; Y84-F115 HydrophobicContact CD1-CD2 3.68Å; Y84-F115 AromaticContact CD1-CE2 3.34Å; Y84-F115 HydrophobicContact CD1-CE2 3.34Å; Y84-F115 HydrophobicContact CD1-CZ 4.49Å; Y84-F115 HydrophobicContact CE1-CD2 4.31Å; Y84-F115 AromaticContact CE1-CE2 3.59Å; Y84-F115 HydrophobicContact CE1-CE2 3.59Å; Y84-F115 HydrophobicContact CG-CD2 4.28Å; Y84-F115 AromaticContact CG-CE2 3.96Å; Y84-F115 HydrophobicContact CG-CE2 3.96Å
85	S	87.8	Confident	79.9	Confident	0 Å²	0	74.7 Å²	74.7	0%	0	37%	0.371	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.4	-14.1	-172.7	-53.5	0	0	0	0	113.5	S83 R88 V89 W110 D114	S83-S85 PolarHBondContact O-N 2.78Å; S83-S85 VanDerWaalsContact O-N 3.13Å; S85-R88 PolarHBondContact O-N 3.17Å; S85-V89 WeakPolarHBondContact O-CB 3.4Å; S85-V89 WeakPolarHBondContact O-CG2 3.32Å; S85-V89 PolarHBondContact O-N 3.18Å; S85-W110 VanDerWaalsContact OG-CD1 3.25Å; S85-D114 WeakPolarHBondContact CB-OD2 3Å; S85-D114 PolarHBondContact OG-OD1 3.42Å; S85-D114 PolarHBondContact OG-OD2 3.3Å
86	W	85	Confident	78.7	Confident	46 Å²	46	70.4 Å²	70.4	17%	0.174	34%	0.343	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-64.3	-170.1	-174.3	-92.4	0	0	0	111.3	F79 V80 K81 S83 Y84 R88 R106	F79-W86 AromaticContact CD1-CE3 3.85Å; F79-W86 HydrophobicContact CD1-CE3 3.85Å; F79-W86 AromaticContact CD1-CZ3 3.75Å; F79-W86 HydrophobicContact CD1-CZ3 3.75Å; F79-W86 HydrophobicContact CD2-CE3 4.32Å; F79-W86 AromaticContact CE1-CE3 3.6Å; F79-W86 HydrophobicContact CE1-CE3 3.6Å; F79-W86 AromaticContact CE1-CZ3 3.64Å; F79-W86 HydrophobicContact CE1-CZ3 3.64Å; F79-W86 HydrophobicContact CE2-CE3 4.1Å; F79-W86 HydrophobicContact CG-CE3 4.2Å; F79-W86 HydrophobicContact CG-CZ3 4.44Å; F79-W86 AromaticContact CZ-CE3 3.73Å; F79-W86 HydrophobicContact CZ-CE3 3.73Å; F79-W86 HydrophobicContact CZ-CZ3 4.25Å; F79-W86 WeakPolarHBondContact O-CZ3 3.44Å; V80-W86 VanDerWaalsContact C-CE3 3.49Å; V80-W86 VanDerWaalsContact O-CB 3.26Å; V80-W86 WeakPolarHBondContact O-CB 3.21Å; K81-W86 HydrophobicContact CG-CD2 4.46Å; K81-W86 HydrophobicContact CG-CZ2 4.02Å; S83-W86 WeakPolarHBondContact O-CB 3.3Å; S83-W86 PolarHBondContact O-N 2.94Å; Y84-W86 VanDerWaalsContact C-N 3.3Å; Y84-W86 PolarHBondContact O-N 3.36Å; W86-R88 PolarHBondContact O-N 3.3Å; W86-R106 VanDerWaalsContact C-NH2 3.26Å; W86-R106 VanDerWaalsContact CE2-NH2 3.33Å; W86-R106 VanDerWaalsContact CG-NH2 3.29Å; W86-R106 PolarHBondContact O-NH2 2.94Å
87	N	81.3	Confident	77.3	Confident	144 Å²	144	74.7 Å²	74.7	77%	0.77	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.3	-13.7	-178.1	-68.1	-31.1	0	0	0	113.9
88	R	81.8	Confident	75.3	Confident	102 Å²	102	80.4 Å²	80.4	39%	0.385	38%	0.378	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.5	-31.3	-179	-66.9	-179.5	173.3	95.9	-11.8	113.2	E36 Y40 Y84 S85 W86 N90	E36-R88 IonicContact OE2-CZ 2.81Å; E36-R88 IonicContact OE2-NH2 2.77Å; E36-R88 PolarHBondContact OE2-NH2 3.2Å; Y40-R88 PolarHBondContact OH-NH1 2.84Å; Y84-R88 VanDerWaalsContact CE1-CD 3.48Å; Y84-R88 VanDerWaalsContact CE2-NH2 3.29Å; Y84-R88 VanDerWaalsContact CZ-CZ 3.41Å; Y84-R88 PolarHBondContact O-NH1 3.02Å; Y84-R88 PolarHBondContact OH-NE 2.88Å; S85-R88 PolarHBondContact O-N 3.17Å; W86-R88 PolarHBondContact O-N 3.3Å; R88-N90 PolarHBondContact O-N 2.89Å
89	V	78	Confident	74.2	Confident	11 Å²	11	82.5 Å²	82.5	7%	0.067	38%	0.378	C	S	.	.			trans	-74.8	93.4	177.7	-178.9	0	0	0	0	109.7	S85 R106 F109	S85-V89 WeakPolarHBondContact O-CB 3.4Å; S85-V89 WeakPolarHBondContact O-CG2 3.32Å; S85-V89 PolarHBondContact O-N 3.18Å; V89-R106 HydrophobicContact CG1-CB 4.06Å; V89-R106 HydrophobicContact CG1-CG 3.87Å; V89-R106 PolarHBondContact O-NE 2.55Å; V89-F109 HydrophobicContact CB-CD1 4.27Å; V89-F109 HydrophobicContact CG1-CB 4.25Å; V89-F109 HydrophobicContact CG1-CD1 3.6Å; V89-F109 HydrophobicContact CG1-CE1 4.27Å; V89-F109 HydrophobicContact CG1-CG 4.07Å; V89-F109 HydrophobicContact CG2-CD1 3.55Å; V89-F109 HydrophobicContact CG2-CE1 3.74Å
90	N	72.9	Confident	73.2	Confident	156 Å²	156	85.2 Å²	85.2	83%	0.834	40%	0.398	S	S	*	.			trans	-84.5	124.6	171	-164.5	5.4	0	0	0	109.6	R88	R88-N90 PolarHBondContact O-N 2.89Å
91	C	70	Confident	72.8	Confident	27 Å²	27	85.7 Å²	85.7	18%	0.182	40%	0.402	C	S	.	.			trans	-127	139.4	179.9	-78.5	0	0	0	0	109	K93 L102 K105 R106	C91-K93 PolarHBondContact O-N 3.4Å; C91-L102 HydrophobicContact CB-CD1 3.62Å; C91-K105 HydrophobicContact CB-CB 4.35Å; C91-K105 HydrophobicContact CB-CD 4.37Å; C91-R106 HydrophobicContact CB-CG 4.01Å; C91-R106 VanDerWaalsContact SG-CG 3.57Å
92	S	69.2	Low	72.6	Confident	30 Å²	30	80.4 Å²	80.4	21%	0.21	38%	0.381	C	S	.	.			trans	-50.8	138.9	168.9	151.3	0	0	0	0	112.4	K94 K105 E337	S92-K94 PolarHBondContact O-N 3.28Å; S92-K94 PolarHBondContact OG-N 3.17Å; S92-K105 PolarHBondContact O-NZ 3.4Å; S92-E337 VanDerWaalsContact CB-OE1 3.27Å; S92-E337 WeakPolarHBondContact CB-OE1 3.45Å; S92-E337 PolarHBondContact OG-OE1 3.3Å; S92-E337 PolarHBondContact OG-OE2 2.93Å
93	K	65.4	Low	72.3	Confident	179 Å²	179	82.7 Å²	82.7	78%	0.778	39%	0.394	S	S	*	.	S	Bend	trans	-71.4	-8.5	174.1	-64.5	-176.2	-178.3	176.4	0	114	C91 F95	C91-K93 PolarHBondContact O-N 3.4Å; K93-F95 WeakPolarHBondContact O-CE2 3.44Å; K93-F95 PolarHBondContact O-N 2.67Å
94	K	61.9	Low	71.8	Confident	98 Å²	98	86.5 Å²	86.5	43%	0.426	41%	0.41	S	S	.	.			trans	-80.9	110	-179.4	-67.3	-178.8	-168.3	153.3	0	111.6	S92 K105 K336 E337	S92-K94 PolarHBondContact O-N 3.28Å; S92-K94 PolarHBondContact OG-N 3.17Å; K94-K105 WeakPolarHBondContact O-CE 3.45Å; K94-K105 PolarHBondContact O-NZ 3.13Å; K94-K336 HydrophobicContact CD-CB 3.9Å; K94-K336 HydrophobicContact CD-CD 4.15Å; K94-K336 HydrophobicContact CD-CG 4.43Å; K94-E337 WeakPolarHBondContact CD-OE1 3.31Å; K94-E337 WeakPolarHBondContact CE-OE1 3.44Å; K94-E337 VanDerWaalsContact CG-OE1 3.24Å; K94-E337 WeakPolarHBondContact CG-OE1 3.45Å; K94-E337 IonicContact NZ-OE1 3.57Å
95	F	60.2	Low	71.2	Confident	116 Å²	116	86.4 Å²	86.4	51%	0.509	41%	0.41	S	S	.	.			trans	-78.3	152.2	-177.6	-54.8	-60.7	0	0	0	112.8	K93 L102	K93-F95 WeakPolarHBondContact O-CE2 3.44Å; K93-F95 PolarHBondContact O-N 2.67Å; F95-L102 HydrophobicContact CE1-CB 3.9Å; F95-L102 HydrophobicContact CZ-CB 4.36Å
96	T	58.3	Low	71	Confident	47 Å²	47	88.2 Å²	88.2	29%	0.288	42%	0.417	S	S	.	.	B	Isolated β-bridge	trans	-129.1	165.4	173.2	68.8	0	0	0	0	109.3	W98 Y99 R331	T96-W98 PolarHBondContact O-N 3.47Å; T96-W98 VanDerWaalsContact O-N 3.07Å; T96-Y99 PolarHBondContact N-O 2.8Å; T96-Y99 CarbonylContact O-C 3.04Å; T96-Y99 WeakPolarHBondContact O-CA 3.43Å; T96-Y99 PolarHBondContact O-N 2.88Å; T96-Y99 WeakPolarHBondContact OG1-CD2 3.4Å; T96-R331 PolarHBondContact OG1-NH2 2.94Å
97	K	56.5	Low	71	Confident	199 Å²	199	88.9 Å²	88.9	87%	0.865	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.5	-36.1	-178.1	-169.8	177.2	179.3	-179.6	0	114.2
98	W	42.7	Very low	70.8	Confident	123 Å²	123	83.6 Å²	83.6	47%	0.466	39%	0.394	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.1	-18	179.6	-67.2	87.5	0	0	0	114.2	T96 P100 T413 D414	T96-W98 PolarHBondContact O-N 3.47Å; T96-W98 VanDerWaalsContact O-N 3.07Å; W98-P100 VanDerWaalsContact C-CD 3.41Å; W98-P100 WeakPolarHBondContact O-CD 3.49Å; W98-T413 HydrophobicContact CG-CG2 4.47Å; W98-T413 WeakPolarHBondContact CZ2-OG1 3.48Å; W98-T413 PolarHBondContact NE1-OG1 2.9Å; W98-D414 HydrophobicContact CH2-CB 4.45Å; W98-D414 HydrophobicContact CZ3-CB 4.45Å
99	Y	63.7	Low	70.8	Confident	68 Å²	68	83.5 Å²	83.5	27%	0.267	40%	0.397	S	S	.	.	B	Isolated β-bridge	trans	-129.5	65.7	-176.2	-62.4	-72.2	0	0	0	109.4	T96 T101 K105 N108	T96-Y99 PolarHBondContact N-O 2.8Å; T96-Y99 CarbonylContact O-C 3.04Å; T96-Y99 WeakPolarHBondContact O-CA 3.43Å; T96-Y99 PolarHBondContact O-N 2.88Å; T96-Y99 WeakPolarHBondContact OG1-CD2 3.4Å; Y99-T101 PolarHBondContact O-N 2.89Å; Y99-K105 VanDerWaalsContact CB-CG 3.46Å; Y99-K105 HydrophobicContact CD1-CB 4.35Å; Y99-K105 HydrophobicContact CD1-CG 3.78Å; Y99-K105 HydrophobicContact CG-CG 3.8Å; Y99-N108 HydrophobicContact CE1-CB 3.91Å; Y99-N108 WeakPolarHBondContact CE1-ND2 3.39Å
100	P	65.5	Low	71.1	Confident	82 Å²	82	83 Å²	83	53%	0.532	39%	0.394	S	S	.	.			trans	-68.1	-21.2	-172.4	27.9	-35.7	0	0	0	112	W98	W98-P100 VanDerWaalsContact C-CD 3.41Å; W98-P100 WeakPolarHBondContact O-CD 3.49Å
101	T	77.7	Confident	71.6	Confident	69 Å²	69	77.4 Å²	77.4	42%	0.423	36%	0.364	S	S	.	.	S	Bend	trans	-131.7	149.6	-178.2	65.6	0	0	0	0	111.2	Y99 K103 K104 K105	Y99-T101 PolarHBondContact O-N 2.89Å; T101-K103 PolarHBondContact O-N 2.57Å; T101-K104 PolarHBondContact O-N 3.15Å; T101-K104 VanDerWaalsContact O-N 3.12Å; T101-K104 WeakPolarHBondContact OG1-CB 3.36Å; T101-K104 PolarHBondContact OG1-N 3.13Å; T101-K105 PolarHBondContact O-N 3.36Å
102	L	79.2	Confident	71.9	Confident	57 Å²	57	81.3 Å²	81.3	30%	0.298	38%	0.383	S	S	.	.	H	α-helix	trans	-59.6	-36.3	175.1	-171.9	65.8	0	0	0	110.8	C91 F95 K104 K105 R106	C91-L102 HydrophobicContact CB-CD1 3.62Å; F95-L102 HydrophobicContact CE1-CB 3.9Å; F95-L102 HydrophobicContact CZ-CB 4.36Å; L102-K104 PolarHBondContact O-N 3.26Å; L102-K105 PolarHBondContact O-N 2.97Å; L102-R106 WeakPolarHBondContact O-CG 3.5Å; L102-R106 PolarHBondContact O-N 3.07Å
103	K	81.6	Confident	72.3	Confident	146 Å²	146	81 Å²	81	64%	0.635	38%	0.382	S	S	*	.	H	α-helix	trans	-58.3	-45.3	175.5	-173	179.5	-179.7	-178.6	0	111.7	T101 M107	T101-K103 PolarHBondContact O-N 2.57Å; K103-M107 VanDerWaalsContact O-CB 3.29Å; K103-M107 WeakPolarHBondContact O-CB 3.26Å; K103-M107 PolarHBondContact O-N 3.18Å
104	K	79.7	Confident	73.2	Confident	85 Å²	85	74.1 Å²	74.1	37%	0.37	35%	0.354	S	S	.	.	H	α-helix	trans	-68.5	-39.4	-179.7	-171.8	64.4	175.8	179.6	0	112.1	T101 L102 M107 N108	T101-K104 PolarHBondContact O-N 3.15Å; T101-K104 VanDerWaalsContact O-N 3.12Å; T101-K104 WeakPolarHBondContact OG1-CB 3.36Å; T101-K104 PolarHBondContact OG1-N 3.13Å; L102-K104 PolarHBondContact O-N 3.26Å; K104-M107 HydrophobicContact CD-CE 4Å; K104-M107 PolarHBondContact O-N 3.45Å; K104-N108 WeakPolarHBondContact CE-OD1 3.34Å; K104-N108 WeakPolarHBondContact O-CB 3.11Å; K104-N108 PolarHBondContact O-N 3.22Å; K104-N108 PolarHBondContact O-OD1 3.16Å
105	K	76	Confident	74.6	Confident	29 Å²	29	70.2 Å²	70.2	13%	0.126	34%	0.337	C	S	.	.	H	α-helix	trans	-55.7	-55.9	172.7	-72.5	-170.8	171.6	-168.8	0	111.8	C91 S92 K94 Y99 T101 L102 M107 N108 F109	C91-K105 HydrophobicContact CB-CB 4.35Å; C91-K105 HydrophobicContact CB-CD 4.37Å; S92-K105 PolarHBondContact O-NZ 3.4Å; K94-K105 WeakPolarHBondContact O-CE 3.45Å; K94-K105 PolarHBondContact O-NZ 3.13Å; Y99-K105 VanDerWaalsContact CB-CG 3.46Å; Y99-K105 HydrophobicContact CD1-CB 4.35Å; Y99-K105 HydrophobicContact CD1-CG 3.78Å; Y99-K105 HydrophobicContact CG-CG 3.8Å; T101-K105 PolarHBondContact O-N 3.36Å; L102-K105 PolarHBondContact O-N 2.97Å; K105-M107 VanDerWaalsContact C-N 3.27Å; K105-M107 PolarHBondContact O-N 3.05Å; K105-N108 PolarHBondContact O-N 3.33Å; K105-F109 PolarHBondContact O-N 3.34Å
106	R	84	Confident	75.9	Confident	38 Å²	38	64.8 Å²	64.8	14%	0.143	31%	0.313	C	S	.	.	H	α-helix	trans	-60.8	-40.4	-177.2	-69.6	174.9	61.7	-167.7	-12.9	111.2	F79 W86 V89 C91 L102 W110	F79-R106 HydrophobicContact CE1-CB 3.72Å; F79-R106 HydrophobicContact CZ-CB 3.8Å; W86-R106 VanDerWaalsContact C-NH2 3.26Å; W86-R106 VanDerWaalsContact CE2-NH2 3.33Å; W86-R106 VanDerWaalsContact CG-NH2 3.29Å; W86-R106 PolarHBondContact O-NH2 2.94Å; V89-R106 HydrophobicContact CG1-CB 4.06Å; V89-R106 HydrophobicContact CG1-CG 3.87Å; V89-R106 PolarHBondContact O-NE 2.55Å; C91-R106 HydrophobicContact CB-CG 4.01Å; C91-R106 VanDerWaalsContact SG-CG 3.57Å; L102-R106 WeakPolarHBondContact O-CG 3.5Å; L102-R106 PolarHBondContact O-N 3.07Å; R106-W110 VanDerWaalsContact O-CB 3.26Å; R106-W110 WeakPolarHBondContact O-CB 3.4Å; R106-W110 PolarHBondContact O-N 2.87Å
107	M	84.6	Confident	77.3	Confident	61 Å²	61	62.9 Å²	62.9	30%	0.3	30%	0.301	S	S	.	.	H	α-helix	trans	-66.7	-38.9	177.1	-169.9	169.4	78.9	0	0	113.1	F79 K103 K104 K105 W110 N111	F79-M107 HydrophobicContact CD1-CB 4.21Å; F79-M107 HydrophobicContact CD1-CG 4.49Å; K103-M107 VanDerWaalsContact O-CB 3.29Å; K103-M107 WeakPolarHBondContact O-CB 3.26Å; K103-M107 PolarHBondContact O-N 3.18Å; K104-M107 HydrophobicContact CD-CE 4Å; K104-M107 PolarHBondContact O-N 3.45Å; K105-M107 VanDerWaalsContact C-N 3.27Å; K105-M107 PolarHBondContact O-N 3.05Å; M107-W110 PolarHBondContact O-N 2.57Å; M107-N111 VanDerWaalsContact O-CG 3.24Å; M107-N111 PolarHBondContact O-N 2.81Å; M107-N111 PolarHBondContact O-ND2 2.94Å; M107-N111 VanDerWaalsContact O-ND2 3.1Å
108	N	78.1	Confident	79	Confident	32 Å²	32	53.7 Å²	53.7	17%	0.171	26%	0.261	C	S	.	.	H	α-helix	trans	-68.8	-47.6	177	-77.5	17.4	0	0	0	111.1	Y99 K104 K105 W110 N111 D112	Y99-N108 HydrophobicContact CE1-CB 3.91Å; Y99-N108 WeakPolarHBondContact CE1-ND2 3.39Å; K104-N108 WeakPolarHBondContact CE-OD1 3.34Å; K104-N108 WeakPolarHBondContact O-CB 3.11Å; K104-N108 PolarHBondContact O-N 3.22Å; K104-N108 PolarHBondContact O-OD1 3.16Å; K105-N108 PolarHBondContact O-N 3.33Å; N108-W110 PolarHBondContact O-N 3.13Å; N108-N111 PolarHBondContact O-N 2.7Å; N108-N111 VanDerWaalsContact O-N 3.11Å; N108-D112 WeakPolarHBondContact O-CB 3.26Å; N108-D112 VanDerWaalsContact O-CG 3.31Å; N108-D112 PolarHBondContact O-N 3Å
109	F	80.8	Confident	81.3	Confident	100 Å²	100	50.6 Å²	50.6	44%	0.439	25%	0.25	S	C	.	.	H	α-helix	trans	-52.2	-47	172.2	176.8	-89.2	0	0	0	110.9	V89 K105 N111 D112 A113 D114	V89-F109 HydrophobicContact CB-CD1 4.27Å; V89-F109 HydrophobicContact CG1-CB 4.25Å; V89-F109 HydrophobicContact CG1-CD1 3.6Å; V89-F109 HydrophobicContact CG1-CE1 4.27Å; V89-F109 HydrophobicContact CG1-CG 4.07Å; V89-F109 HydrophobicContact CG2-CD1 3.55Å; V89-F109 HydrophobicContact CG2-CE1 3.74Å; K105-F109 PolarHBondContact O-N 3.34Å; F109-N111 PolarHBondContact O-N 3.35Å; F109-D112 PolarHBondContact O-N 2.92Å; F109-A113 HydrophobicContact CD2-CB 4.14Å; F109-A113 HydrophobicContact CE2-CB 3.94Å; F109-A113 HydrophobicContact CZ-CB 4.24Å; F109-A113 PolarHBondContact O-N 2.81Å; F109-D114 HydrophobicContact CD1-CB 4.45Å; F109-D114 HydrophobicContact CE1-CB 4.16Å; F109-D114 PolarHBondContact O-N 2.86Å
110	W	85.9	Confident	82.4	Confident	1 Å²	1	49.5 Å²	49.5	0%	0.004	25%	0.252	C	S	.	.	H	α-helix	trans	-64.1	-37.8	-179.8	177.2	75.6	0	0	0	113.6	G72 F79 S85 R106 M107 N108 D114 G116 R119	G72-W110 WeakPolarHBondContact O-CH2 3.31Å; G72-W110 WeakPolarHBondContact O-CZ2 3.3Å; F79-W110 HydrophobicContact CB-CD2 3.87Å; F79-W110 HydrophobicContact CB-CE3 3.72Å; F79-W110 HydrophobicContact CB-CG 4.46Å; F79-W110 HydrophobicContact CB-CH2 4.41Å; F79-W110 HydrophobicContact CB-CZ3 3.97Å; F79-W110 HydrophobicContact CD2-CB 3.9Å; F79-W110 AromaticContact CD2-CD1 3.73Å; F79-W110 AromaticContact CD2-CD2 3.74Å; F79-W110 HydrophobicContact CD2-CD2 3.74Å; F79-W110 HydrophobicContact CD2-CE3 4.38Å; F79-W110 AromaticContact CD2-CG 3.47Å; F79-W110 HydrophobicContact CD2-CG 3.47Å; F79-W110 VanDerWaalsContact CD2-CG 3.47Å; F79-W110 HydrophobicContact CE2-CB 3.95Å; F79-W110 AromaticContact CE2-CG 3.9Å; F79-W110 HydrophobicContact CE2-CG 3.9Å; F79-W110 HydrophobicContact CG-CB 4.38Å; F79-W110 HydrophobicContact CG-CD2 4.01Å; F79-W110 HydrophobicContact CG-CE3 4.18Å; F79-W110 HydrophobicContact CG-CG 4.09Å; F79-W110 HydrophobicContact CZ-CB 4.46Å; S85-W110 VanDerWaalsContact OG-CD1 3.25Å; R106-W110 VanDerWaalsContact O-CB 3.26Å; R106-W110 WeakPolarHBondContact O-CB 3.4Å; R106-W110 PolarHBondContact O-N 2.87Å; M107-W110 PolarHBondContact O-N 2.57Å; N108-W110 PolarHBondContact O-N 3.13Å; W110-D114 HydrophobicContact CG-CB 4.48Å; W110-D114 CarbonylContact O-C 3.57Å; W110-G116 VanDerWaalsContact CE2-CA 3.48Å; W110-G116 VanDerWaalsContact CH2-CA 3.5Å; W110-G116 WeakPolarHBondContact O-CA 3.33Å; W110-G116 PolarHBondContact O-N 3.06Å; W110-R119 VanDerWaalsContact CZ3-CZ 3.43Å; W110-R119 VanDerWaalsContact CZ3-NH2 3.34Å
111	N	83.5	Confident	83.5	Confident	39 Å²	39	47.7 Å²	47.7	21%	0.209	23%	0.234	C	C	.	.	H	α-helix	trans	-70.2	-35.7	177	-73.3	-38.5	0	0	0	113	M107 N108 F109 G116 Y117 R119	M107-N111 VanDerWaalsContact O-CG 3.24Å; M107-N111 PolarHBondContact O-N 2.81Å; M107-N111 PolarHBondContact O-ND2 2.94Å; M107-N111 VanDerWaalsContact O-ND2 3.1Å; N108-N111 PolarHBondContact O-N 2.7Å; N108-N111 VanDerWaalsContact O-N 3.11Å; F109-N111 PolarHBondContact O-N 3.35Å; N111-G116 CarbonylContact O-C 3.42Å; N111-Y117 VanDerWaalsContact O-CA 3.25Å; N111-Y117 WeakPolarHBondContact O-CA 3.15Å; N111-Y117 PolarHBondContact O-N 3.22Å; N111-Y117 VanDerWaalsContact O-N 3.12Å; N111-R119 PolarHBondContact OD1-NH2 3.33Å
112	D	76.3	Confident	84.2	Confident	109 Å²	109	48.6 Å²	48.6	58%	0.583	23%	0.232	S	C	*	.	H	α-helix	trans	-99.9	-30.9	-166.9	-59.5	-19.4	0	0	0	112.7	N108 F109	N108-D112 WeakPolarHBondContact O-CB 3.26Å; N108-D112 VanDerWaalsContact O-CG 3.31Å; N108-D112 PolarHBondContact O-N 3Å; F109-D112 PolarHBondContact O-N 2.92Å
113	A	75.9	Confident	84.7	Confident	24 Å²	24	54.8 Å²	54.8	20%	0.198	25%	0.252	C	S	.	.	H	α-helix	trans	-128.5	-0.3	-170	0	0	0	0	0	114.6	F109	F109-A113 HydrophobicContact CD2-CB 4.14Å; F109-A113 HydrophobicContact CE2-CB 3.94Å; F109-A113 HydrophobicContact CZ-CB 4.24Å; F109-A113 PolarHBondContact O-N 2.81Å
114	D	85.9	Confident	85.1	Confident	33 Å²	33	49.7 Å²	49.7	18%	0.176	23%	0.233	C	C	.	.	S	Bend	trans	-135	-163.9	-177.1	-156.4	-15.3	0	0	0	110.7	S85 F109 W110 G116 Y117	S85-D114 WeakPolarHBondContact CB-OD2 3Å; S85-D114 PolarHBondContact OG-OD1 3.42Å; S85-D114 PolarHBondContact OG-OD2 3.3Å; F109-D114 HydrophobicContact CD1-CB 4.45Å; F109-D114 HydrophobicContact CE1-CB 4.16Å; F109-D114 PolarHBondContact O-N 2.86Å; W110-D114 HydrophobicContact CG-CB 4.48Å; W110-D114 CarbonylContact O-C 3.57Å; D114-G116 PolarHBondContact O-N 3.36Å; D114-Y117 WeakPolarHBondContact O-CB 3.25Å; D114-Y117 PolarHBondContact O-N 3.48Å
115	F	90	Very high	85.7	Confident	17 Å²	17	47.3 Å²	47.3	8%	0.075	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.8	-21.3	-178.4	-72.9	-67.2	0	0	0	116	W71 Y73 Y84 Y117 I118 Y252 H256	W71-F115 HydrophobicContact CD2-CD1 4.37Å; W71-F115 HydrophobicContact CD2-CE1 4.28Å; W71-F115 AromaticContact CE3-CD1 3.8Å; W71-F115 HydrophobicContact CE3-CD1 3.8Å; W71-F115 AromaticContact CE3-CD2 3.78Å; W71-F115 HydrophobicContact CE3-CD2 3.78Å; W71-F115 AromaticContact CE3-CE1 3.57Å; W71-F115 HydrophobicContact CE3-CE1 3.57Å; W71-F115 AromaticContact CE3-CE2 3.54Å; W71-F115 HydrophobicContact CE3-CE2 3.54Å; W71-F115 AromaticContact CE3-CG 3.93Å; W71-F115 HydrophobicContact CE3-CG 3.93Å; W71-F115 AromaticContact CE3-CZ 3.44Å; W71-F115 HydrophobicContact CE3-CZ 3.44Å; W71-F115 VanDerWaalsContact CE3-CZ 3.44Å; W71-F115 HydrophobicContact CH2-CE1 4.46Å; W71-F115 HydrophobicContact CH2-CZ 4.07Å; W71-F115 HydrophobicContact CZ3-CD1 4.37Å; W71-F115 HydrophobicContact CZ3-CD2 4.18Å; W71-F115 AromaticContact CZ3-CE1 3.69Å; W71-F115 HydrophobicContact CZ3-CE1 3.69Å; W71-F115 AromaticContact CZ3-CE2 3.45Å; W71-F115 HydrophobicContact CZ3-CE2 3.45Å; W71-F115 VanDerWaalsContact CZ3-CE2 3.45Å; W71-F115 AromaticContact CZ3-CZ 3.17Å; W71-F115 HydrophobicContact CZ3-CZ 3.17Å; Y73-F115 HydrophobicContact CD1-CB 3.98Å; Y73-F115 HydrophobicContact CD1-CD1 4.15Å; Y73-F115 HydrophobicContact CD1-CG 4.46Å; Y73-F115 AromaticContact CE1-CD1 3.9Å; Y73-F115 HydrophobicContact CE1-CD1 3.9Å; Y84-F115 AromaticContact CD1-CD2 3.68Å; Y84-F115 HydrophobicContact CD1-CD2 3.68Å; Y84-F115 AromaticContact CD1-CE2 3.34Å; Y84-F115 HydrophobicContact CD1-CE2 3.34Å; Y84-F115 HydrophobicContact CD1-CZ 4.49Å; Y84-F115 HydrophobicContact CE1-CD2 4.31Å; Y84-F115 AromaticContact CE1-CE2 3.59Å; Y84-F115 HydrophobicContact CE1-CE2 3.59Å; Y84-F115 HydrophobicContact CG-CD2 4.28Å; Y84-F115 AromaticContact CG-CE2 3.96Å; Y84-F115 HydrophobicContact CG-CE2 3.96Å; F115-Y117 PolarHBondContact O-N 2.85Å; F115-I118 HydrophobicContact CD1-CD1 3.67Å; F115-I118 HydrophobicContact CE1-CD1 4.25Å; F115-I118 WeakPolarHBondContact O-CB 3.37Å; F115-I118 PolarHBondContact O-N 3.04Å; F115-Y252 HydrophobicContact CE1-CE1 4.44Å; F115-Y252 HydrophobicContact CZ-CE1 4.49Å; F115-H256 AromaticContact CE1-CD2 3.99Å; F115-H256 AromaticContact CE1-CE1 3.57Å; F115-H256 AromaticContact CE1-NE2 3.43Å; F115-H256 WeakPolarHBondContact CE1-NE2 3.37Å
116	G	88.8	Confident	86.5	Confident	1 Å²	1	50.3 Å²	50.3	1%	0.01	24%	0.237	C	C	.	.	H	α-helix	trans	-65.6	-23.1	172.1	0	0	0	0	0	113.4	W110 N111 D114 I118 R119 S120	W110-G116 VanDerWaalsContact CE2-CA 3.48Å; W110-G116 VanDerWaalsContact CH2-CA 3.5Å; W110-G116 WeakPolarHBondContact O-CA 3.33Å; W110-G116 PolarHBondContact O-N 3.06Å; N111-G116 CarbonylContact O-C 3.42Å; D114-G116 PolarHBondContact O-N 3.36Å; G116-I118 VanDerWaalsContact C-N 3.35Å; G116-I118 PolarHBondContact O-N 3.45Å; G116-R119 VanDerWaalsContact O-CB 3.3Å; G116-R119 WeakPolarHBondContact O-CB 3.09Å; G116-R119 PolarHBondContact O-N 2.59Å; G116-S120 PolarHBondContact O-N 2.81Å
117	Y	87.5	Confident	87	Confident	7 Å²	7	53.6 Å²	53.6	3%	0.027	25%	0.25	C	C	.	.	H	α-helix	trans	-57	-47.6	172	-176.5	-94.2	0	0	0	111.4	N111 D114 F115 R119 S120 R121 L313 M317 F319 L321	N111-Y117 VanDerWaalsContact O-CA 3.25Å; N111-Y117 WeakPolarHBondContact O-CA 3.15Å; N111-Y117 PolarHBondContact O-N 3.22Å; N111-Y117 VanDerWaalsContact O-N 3.12Å; D114-Y117 WeakPolarHBondContact O-CB 3.25Å; D114-Y117 PolarHBondContact O-N 3.48Å; F115-Y117 PolarHBondContact O-N 2.85Å; Y117-R119 VanDerWaalsContact C-N 3.27Å; Y117-R119 PolarHBondContact O-N 2.93Å; Y117-S120 PolarHBondContact O-N 2.89Å; Y117-S120 VanDerWaalsContact O-N 3.11Å; Y117-S120 PolarHBondContact O-OG 3.04Å; Y117-R121 VanDerWaalsContact CE2-CZ 3.42Å; Y117-R121 VanDerWaalsContact CZ-CZ 3.46Å; Y117-R121 VanDerWaalsContact CZ-NE 3.33Å; Y117-R121 PolarHBondContact O-N 2.92Å; Y117-R121 PolarHBondContact OH-NE 3.39Å; Y117-R121 PolarHBondContact OH-NH2 2.99Å; Y117-R121 VanDerWaalsContact OH-NH2 3.09Å; Y117-L313 HydrophobicContact CE1-CD1 4.02Å; Y117-M317 WeakPolarHBondContact OH-CE 3.37Å; Y117-F319 WeakPolarHBondContact CE2-O 3.4Å; Y117-F319 PolarHBondContact OH-O 3.39Å; Y117-L321 HydrophobicContact CD1-CD1 3.94Å; Y117-L321 HydrophobicContact CD1-CD2 4.33Å; Y117-L321 HydrophobicContact CD1-CG 4.09Å; Y117-L321 HydrophobicContact CD2-CD2 3.97Å; Y117-L321 HydrophobicContact CD2-CG 4.42Å; Y117-L321 HydrophobicContact CE1-CD1 4.17Å; Y117-L321 HydrophobicContact CE1-CG 4.05Å; Y117-L321 HydrophobicContact CE2-CD2 4.23Å; Y117-L321 HydrophobicContact CE2-CG 4.34Å; Y117-L321 HydrophobicContact CG-CD1 4.38Å; Y117-L321 HydrophobicContact CG-CD2 4.01Å; Y117-L321 HydrophobicContact CG-CG 4.29Å
118	I	91.3	Very high	87.4	Confident	7 Å²	7	50.7 Å²	50.7	4%	0.036	24%	0.235	C	C	.	.	H	α-helix	trans	-59.4	-40.5	177.6	-67.6	153.1	0	0	0	110.5	Y73 F115 G116 S120 R121 K122 A253 H256 L257	Y73-I118 HydrophobicContact CD1-CB 4.22Å; Y73-I118 HydrophobicContact CD1-CD1 4.28Å; Y73-I118 HydrophobicContact CD1-CG2 4.19Å; Y73-I118 HydrophobicContact CD2-CG2 4.46Å; Y73-I118 HydrophobicContact CE1-CD1 4.25Å; Y73-I118 HydrophobicContact CG-CB 4.5Å; Y73-I118 HydrophobicContact CG-CG2 4.23Å; F115-I118 HydrophobicContact CD1-CD1 3.67Å; F115-I118 HydrophobicContact CE1-CD1 4.25Å; F115-I118 WeakPolarHBondContact O-CB 3.37Å; F115-I118 PolarHBondContact O-N 3.04Å; G116-I118 VanDerWaalsContact C-N 3.35Å; G116-I118 PolarHBondContact O-N 3.45Å; I118-S120 VanDerWaalsContact C-N 3.3Å; I118-S120 PolarHBondContact O-N 2.91Å; I118-R121 PolarHBondContact O-N 2.91Å; I118-K122 VanDerWaalsContact O-CB 3.31Å; I118-K122 WeakPolarHBondContact O-CB 3.5Å; I118-K122 PolarHBondContact O-N 3.46Å; I118-A253 HydrophobicContact CG1-CB 4.46Å; I118-H256 HydrophobicContact CD1-CB 3.45Å; I118-H256 VanDerWaalsContact CD1-CB 3.45Å; I118-H256 HydrophobicContact CG1-CB 4.13Å; I118-H256 HydrophobicContact CG2-CB 4.1Å; I118-L257 HydrophobicContact CG2-CD2 3.79Å; I118-L257 HydrophobicContact CG2-CG 4.24Å
119	R	90.9	Very high	88.2	Confident	58 Å²	58	49.2 Å²	49.2	22%	0.219	23%	0.227	C	C	.	.	H	α-helix	trans	-60	-41.5	177.6	-166	177.6	62	173.6	3.3	112	W110 N111 G116 Y117 R123	W110-R119 VanDerWaalsContact CZ3-CZ 3.43Å; W110-R119 VanDerWaalsContact CZ3-NH2 3.34Å; N111-R119 PolarHBondContact OD1-NH2 3.33Å; G116-R119 VanDerWaalsContact O-CB 3.3Å; G116-R119 WeakPolarHBondContact O-CB 3.09Å; G116-R119 PolarHBondContact O-N 2.59Å; Y117-R119 VanDerWaalsContact C-N 3.27Å; Y117-R119 PolarHBondContact O-N 2.93Å; R119-R123 WeakPolarHBondContact O-CG 3.49Å; R119-R123 PolarHBondContact O-N 3.41Å
120	S	87.1	Confident	88.8	Confident	45 Å²	45	46.2 Å²	46.2	32%	0.315	22%	0.219	S	C	.	.	H	α-helix	trans	-63.6	-44.4	-179.2	76.5	0	0	0	0	111.4	G116 Y117 I118 R123	G116-S120 PolarHBondContact O-N 2.81Å; Y117-S120 PolarHBondContact O-N 2.89Å; Y117-S120 VanDerWaalsContact O-N 3.11Å; Y117-S120 PolarHBondContact O-OG 3.04Å; I118-S120 VanDerWaalsContact C-N 3.3Å; I118-S120 PolarHBondContact O-N 2.91Å; S120-R123 PolarHBondContact O-N 3.28Å
121	R	89.2	Confident	89.1	Confident	44 Å²	44	48.3 Å²	48.3	17%	0.166	23%	0.234	C	C	.	.	H	α-helix	trans	-70.5	-41.5	178.2	-86.9	60.8	177.7	160.3	0.1	112.1	Y117 I118 R123 T124 M125 T142 E146 L257 L313	Y117-R121 VanDerWaalsContact CE2-CZ 3.42Å; Y117-R121 VanDerWaalsContact CZ-CZ 3.46Å; Y117-R121 VanDerWaalsContact CZ-NE 3.33Å; Y117-R121 PolarHBondContact O-N 2.92Å; Y117-R121 PolarHBondContact OH-NE 3.39Å; Y117-R121 PolarHBondContact OH-NH2 2.99Å; Y117-R121 VanDerWaalsContact OH-NH2 3.09Å; I118-R121 PolarHBondContact O-N 2.91Å; R121-R123 PolarHBondContact O-N 3.18Å; R121-T124 PolarHBondContact O-N 2.97Å; R121-T124 PolarHBondContact O-OG1 3.12Å; R121-M125 PolarHBondContact O-N 2.82Å; R121-T142 HydrophobicContact CB-CG2 4.19Å; R121-E146 IonicContact NE-OE2 3.87Å; R121-L257 HydrophobicContact CB-CD1 4.42Å; R121-L257 HydrophobicContact CB-CD2 4.3Å; R121-L313 HydrophobicContact CG-CD2 4.45Å
122	K	90.8	Very high	89.3	Confident	87 Å²	87	56.8 Å²	56.8	38%	0.378	27%	0.269	S	S	.	.	H	α-helix	trans	-58.8	-35.8	177.4	-168.3	171.2	-175.4	174.1	0	112.4	I118 T124 M125 L257	I118-K122 VanDerWaalsContact O-CB 3.31Å; I118-K122 WeakPolarHBondContact O-CB 3.5Å; I118-K122 PolarHBondContact O-N 3.46Å; K122-T124 VanDerWaalsContact C-N 3.29Å; K122-T124 PolarHBondContact O-N 3.2Å; K122-M125 HydrophobicContact CG-SD 4.48Å; K122-M125 WeakPolarHBondContact O-CB 3.38Å; K122-M125 PolarHBondContact O-N 3.49Å; K122-L257 HydrophobicContact CB-CD2 3.87Å
123	R	90.7	Very high	89.9	Confident	188 Å²	188	55.3 Å²	55.3	71%	0.709	26%	0.263	S	S	*	.	H	α-helix	trans	-70.5	-21.7	177	-75.3	176.9	176	-171.5	-2.5	113.9	R119 S120 R121	R119-R123 WeakPolarHBondContact O-CG 3.49Å; R119-R123 PolarHBondContact O-N 3.41Å; S120-R123 PolarHBondContact O-N 3.28Å; R121-R123 PolarHBondContact O-N 3.18Å
124	T	90.6	Very high	90.4	Very high	38 Å²	38	62.6 Å²	62.6	23%	0.233	29%	0.293	C	S	.	.	H	α-helix	trans	-93.8	-1.1	178.9	63.4	0	0	0	0	113.1	R121 K122 K126 D143	R121-T124 PolarHBondContact O-N 2.97Å; R121-T124 PolarHBondContact O-OG1 3.12Å; K122-T124 VanDerWaalsContact C-N 3.29Å; K122-T124 PolarHBondContact O-N 3.2Å; T124-K126 PolarHBondContact O-N 2.69Å; T124-D143 VanDerWaalsContact CB-OD2 3.3Å; T124-D143 WeakPolarHBondContact CB-OD2 3.37Å; T124-D143 VanDerWaalsContact CG2-OD2 3.26Å; T124-D143 WeakPolarHBondContact CG2-OD2 3.18Å
125	M	92.4	Very high	90.6	Very high	35 Å²	35	64.9 Å²	64.9	17%	0.172	31%	0.312	C	S	.	.			trans	-62.3	130.6	176.1	-69.1	-172.3	67.3	0	0	111.7	R121 K122 E140 C141 T142 Y147	R121-M125 PolarHBondContact O-N 2.82Å; K122-M125 HydrophobicContact CG-SD 4.48Å; K122-M125 WeakPolarHBondContact O-CB 3.38Å; K122-M125 PolarHBondContact O-N 3.49Å; M125-E140 HydrophobicContact CB-CG 4.21Å; M125-E140 WeakPolarHBondContact CB-OE1 3.5Å; M125-E140 HydrophobicContact CE-CB 4.39Å; M125-E140 HydrophobicContact CE-CG 3.74Å; M125-C141 CarbonylContact C-O 3.47Å; M125-C141 WeakPolarHBondContact CA-O 3.49Å; M125-T142 HydrophobicContact CG-CG2 3.66Å; M125-Y147 HydrophobicContact CE-CD1 4.15Å; M125-Y147 HydrophobicContact CE-CE1 3.71Å; M125-Y147 HydrophobicContact SD-CD1 4.4Å; M125-Y147 HydrophobicContact SD-CE1 4.18Å
126	K	93	Very high	90.8	Very high	93 Å²	93	65.2 Å²	65.2	40%	0.404	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	137.3	-176.9	-69.1	164.1	-170.6	157.4	0	109.8	T124 I128 E140 C141 D143	T124-K126 PolarHBondContact O-N 2.69Å; K126-I128 PolarHBondContact O-N 2.99Å; K126-E140 WeakPolarHBondContact O-CA 3.37Å; K126-C141 PolarHBondContact N-O 3.3Å; K126-C141 PolarHBondContact O-N 2.97Å; K126-D143 IonicContact NZ-OD1 3.81Å; K126-D143 PolarHBondContact NZ-OD1 2.95Å; K126-D143 IonicContact NZ-OD2 2.99Å
127	Y	94.3	Very high	91.1	Very high	107 Å²	107	65.2 Å²	65.2	42%	0.42	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67	118.9	168.9	-69.4	-76.1	0	0	0	110.8	E140 H186 R189	Y127-E140 HydrophobicContact CD1-CB 3.87Å; Y127-E140 HydrophobicContact CD1-CG 4.21Å; Y127-E140 HydrophobicContact CE1-CB 3.81Å; Y127-E140 HydrophobicContact CE1-CG 4.13Å; Y127-E140 WeakPolarHBondContact CE1-OE2 3.32Å; Y127-E140 HydrophobicContact CG-CG 4.48Å; Y127-E140 PolarHBondContact OH-OE2 3.43Å; Y127-H186 PolarHBondContact O-CD2 2.77Å; Y127-R189 PolarHBondContact O-NH1 2.87Å
128	I	92.4	Very high	91.5	Very high	0 Å²	0	66.2 Å²	66.2	0%	0	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	-38.9	167	-60.6	-176.2	0	0	0	109.3	K126 L139 C141 L185 H186 L190 L193	K126-I128 PolarHBondContact O-N 2.99Å; I128-L139 HydrophobicContact CB-CD2 4Å; I128-L139 HydrophobicContact CB-CG 4.12Å; I128-L139 HydrophobicContact CD1-CD2 4.35Å; I128-L139 HydrophobicContact CG2-CD2 4Å; I128-L139 PolarHBondContact N-O 3.1Å; I128-C141 HydrophobicContact CD1-CB 3.73Å; I128-C141 VanDerWaalsContact CD1-SG 3.51Å; I128-C141 HydrophobicContact CG1-CB 4.34Å; I128-L185 HydrophobicContact CG2-CD1 4.05Å; I128-H186 WeakPolarHBondContact O-CB 3.19Å; I128-H186 PolarHBondContact O-CD2 3.35Å; I128-H186 PolarHBondContact O-N 3.47Å; I128-L190 HydrophobicContact CD1-CD1 4.26Å; I128-L190 HydrophobicContact CG2-CB 3.92Å; I128-L190 HydrophobicContact CG2-CD1 4.12Å; I128-L190 HydrophobicContact CG2-CG 4.44Å; I128-L193 HydrophobicContact CD1-CD1 3.64Å; I128-L193 HydrophobicContact CG1-CD1 3.9Å
129	C	94.2	Very high	91.7	Very high	0 Å²	0	65.9 Å²	65.9	0%	0	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	125.6	172.6	-143.1	0	0	0	0	110.3	S138 L139 C183 K184 F209	C129-S138 CarbonylContact O-C 3.57Å; C129-S138 WeakPolarHBondContact O-CA 3.34Å; C129-L139 HydrophobicContact CB-CB 3.86Å; C129-L139 PolarHBondContact N-O 3.24Å; C129-L139 PolarHBondContact O-N 3.09Å; C129-C183 HydrophobicContact CB-CB 3.98Å; C129-C183 WeakPolarHBondContact CB-SG 3.46Å; C129-C183 WeakPolarHBondContact SG-CB 3.23Å; C129-C183 CovalentContact SG-SG 2Å; C129-C183 PolarHBondContact SG-SG 2.91Å; C129-K184 WeakPolarHBondContact CA-O 3.09Å; C129-F209 HydrophobicContact CB-CE1 3.98Å; C129-F209 HydrophobicContact CB-CZ 4.28Å
130	S	93.8	Very high	91.8	Very high	38 Å²	38	64.8 Å²	64.8	27%	0.266	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	136	-176.1	55.4	0	0	0	0	110.5	K184 H186	S130-K184 PolarHBondContact N-O 2.75Å; S130-K184 VanDerWaalsContact N-O 3.13Å; S130-K184 WeakPolarHBondContact O-CB 3.28Å; S130-K184 PolarHBondContact O-N 3.33Å; S130-H186 PolarHBondContact OG-NE2 2.87Å; S130-H186 VanDerWaalsContact OG-NE2 3.09Å
131	S	92.4	Very high	92.2	Very high	45 Å²	45	62.7 Å²	62.7	32%	0.315	30%	0.303	S	S	.	.			trans	-124.4	153.9	166.2	-168	0	0	0	0	111	V133 D136 S137	S131-V133 PolarHBondContact OG-N 2.61Å; S131-D136 VanDerWaalsContact CB-CB 3.49Å; S131-D136 WeakPolarHBondContact OG-CB 3.28Å; S131-D136 PolarHBondContact OG-OD2 2.96Å; S131-S137 WeakPolarHBondContact CB-O 3.41Å
132	K	86.8	Confident	92.2	Very high	217 Å²	217	60.6 Å²	60.6	94%	0.943	30%	0.295	S	S	*	.	S	Bend	trans	-87.9	-18.9	171.7	-66.1	-175.2	178.5	-176.8	0	112.2
133	V	90.3	Very high	91.9	Very high	77 Å²	77	58.5 Å²	58.5	47%	0.467	29%	0.288	S	S	.	.	S	Bend	trans	-98.3	129.2	-178.2	-172.5	0	0	0	0	108	S131 S135 D136	S131-V133 PolarHBondContact OG-N 2.61Å; V133-S135 VanDerWaalsContact C-N 3.28Å; V133-S135 VanDerWaalsContact CG1-OG 3.26Å; V133-S135 WeakPolarHBondContact CG1-OG 3.39Å; V133-S135 PolarHBondContact O-N 3.49Å; V133-D136 HydrophobicContact CB-CB 4.17Å; V133-D136 WeakPolarHBondContact O-CB 3.27Å; V133-D136 PolarHBondContact O-N 3.17Å; V133-D136 VanDerWaalsContact O-N 3.13Å
134	E	86.6	Confident	91.4	Very high	177 Å²	177	52.3 Å²	52.3	83%	0.827	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66	-29.1	-177.5	-174.1	171.9	-164.7	0	0	113.2	D136 N152	E134-D136 PolarHBondContact O-N 2.95Å; E134-N152 PolarHBondContact O-ND2 2.84Å
135	S	89	Confident	91.2	Very high	82 Å²	82	50.7 Å²	50.7	57%	0.573	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.2	-14.8	175.3	66.3	0	0	0	0	114.1	V133	V133-S135 VanDerWaalsContact C-N 3.28Å; V133-S135 VanDerWaalsContact CG1-OG 3.26Å; V133-S135 WeakPolarHBondContact CG1-OG 3.39Å; V133-S135 PolarHBondContact O-N 3.49Å
136	D	94	Very high	90.9	Very high	23 Å²	23	49.6 Å²	49.6	12%	0.123	25%	0.251	C	S	.	.	S	Bend	trans	-86.8	177.3	178.9	-78.3	-0.4	0	0	0	110.1	S131 V133 E134 N152 K182	S131-D136 VanDerWaalsContact CB-CB 3.49Å; S131-D136 WeakPolarHBondContact OG-CB 3.28Å; S131-D136 PolarHBondContact OG-OD2 2.96Å; V133-D136 HydrophobicContact CB-CB 4.17Å; V133-D136 WeakPolarHBondContact O-CB 3.27Å; V133-D136 PolarHBondContact O-N 3.17Å; V133-D136 VanDerWaalsContact O-N 3.13Å; E134-D136 PolarHBondContact O-N 2.95Å; D136-N152 PolarHBondContact O-ND2 3.44Å; D136-K182 WeakPolarHBondContact CB-O 3.18Å; D136-K182 WeakPolarHBondContact OD1-CD 3.43Å; D136-K182 IonicContact OD1-NZ 3.19Å; D136-K182 PolarHBondContact OD1-NZ 2.76Å; D136-K182 IonicContact OD2-NZ 3.68Å; D136-K182 PolarHBondContact OD2-NZ 2.88Å
137	S	95.5	Very high	90.8	Very high	1 Å²	1	45.3 Å²	45.3	1%	0.007	23%	0.232	C	C	.	.			trans	-84.1	151.4	-174.4	-49.7	0	0	0	0	112.6	S131 K151 N152 G181 K182 C183	S131-S137 WeakPolarHBondContact CB-O 3.41Å; S137-K151 VanDerWaalsContact CA-O 3.25Å; S137-K151 WeakPolarHBondContact CA-O 3.48Å; S137-N152 WeakPolarHBondContact CB-O 3.46Å; S137-N152 PolarHBondContact OG-O 3.45Å; S137-G181 WeakPolarHBondContact OG-CA 3.48Å; S137-K182 PolarHBondContact N-O 3.18Å; S137-K182 PolarHBondContact OG-N 3.08Å; S137-C183 WeakPolarHBondContact O-CB 3.47Å
138	S	95.2	Very high	90.9	Very high	28 Å²	28	40.2 Å²	40.2	20%	0.196	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	144.1	167.6	63	0	0	0	0	110.3	C129 A150 K151	C129-S138 CarbonylContact O-C 3.57Å; C129-S138 WeakPolarHBondContact O-CA 3.34Å; S138-A150 CarbonylContact O-C 3.6Å; S138-A150 WeakPolarHBondContact O-CA 3.09Å; S138-A150 VanDerWaalsContact O-CB 3.28Å; S138-A150 WeakPolarHBondContact O-CB 3.21Å; S138-K151 PolarHBondContact N-O 3.4Å; S138-K151 PolarHBondContact O-N 3.3Å; S138-K151 WeakPolarHBondContact OG-CB 3.35Å
139	L	95.7	Very high	91	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	118.7	173.8	174.8	65.9	0	0	0	108.9	I128 C129 C148 A150 L206 F209	I128-L139 HydrophobicContact CB-CD2 4Å; I128-L139 HydrophobicContact CB-CG 4.12Å; I128-L139 HydrophobicContact CD1-CD2 4.35Å; I128-L139 HydrophobicContact CG2-CD2 4Å; I128-L139 PolarHBondContact N-O 3.1Å; C129-L139 HydrophobicContact CB-CB 3.86Å; C129-L139 PolarHBondContact N-O 3.24Å; C129-L139 PolarHBondContact O-N 3.09Å; L139-C148 HydrophobicContact CD1-CB 4.29Å; L139-A150 HydrophobicContact CB-CB 4.44Å; L139-A150 HydrophobicContact CD1-CB 3.76Å; L139-L206 HydrophobicContact CD1-CD1 4.36Å; L139-L206 HydrophobicContact CD2-CD2 4.45Å; L139-F209 HydrophobicContact CB-CE2 4.41Å; L139-F209 HydrophobicContact CB-CZ 4.43Å; L139-F209 HydrophobicContact CD2-CD2 3.67Å; L139-F209 HydrophobicContact CD2-CE2 3.81Å; L139-F209 HydrophobicContact CD2-CG 4.09Å; L139-F209 HydrophobicContact CD2-CZ 4.34Å
140	E	94.8	Very high	91.2	Very high	36 Å²	36	42 Å²	42	17%	0.168	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	132.5	177.1	-169.7	174.1	-175	0	0	109.6	M125 K126 Y127 C148 Y149	M125-E140 HydrophobicContact CB-CG 4.21Å; M125-E140 WeakPolarHBondContact CB-OE1 3.5Å; M125-E140 HydrophobicContact CE-CB 4.39Å; M125-E140 HydrophobicContact CE-CG 3.74Å; K126-E140 WeakPolarHBondContact O-CA 3.37Å; Y127-E140 HydrophobicContact CD1-CB 3.87Å; Y127-E140 HydrophobicContact CD1-CG 4.21Å; Y127-E140 HydrophobicContact CE1-CB 3.81Å; Y127-E140 HydrophobicContact CE1-CG 4.13Å; Y127-E140 WeakPolarHBondContact CE1-OE2 3.32Å; Y127-E140 HydrophobicContact CG-CG 4.48Å; Y127-E140 PolarHBondContact OH-OE2 3.43Å; E140-C148 CarbonylContact O-C 3.52Å; E140-C148 VanDerWaalsContact O-CA 3.31Å; E140-C148 WeakPolarHBondContact O-CA 3.31Å; E140-Y149 PolarHBondContact N-O 2.86Å; E140-Y149 PolarHBondContact O-N 2.86Å
141	C	93.9	Very high	91.3	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	152.6	-179.4	-63.5	0	0	0	0	111.1	M125 K126 I128 Y147 C148	M125-C141 CarbonylContact C-O 3.47Å; M125-C141 WeakPolarHBondContact CA-O 3.49Å; K126-C141 PolarHBondContact N-O 3.3Å; K126-C141 PolarHBondContact O-N 2.97Å; I128-C141 HydrophobicContact CD1-CB 3.73Å; I128-C141 VanDerWaalsContact CD1-SG 3.51Å; I128-C141 HydrophobicContact CG1-CB 4.34Å; C141-Y147 CarbonylContact C-O 3.46Å; C141-Y147 WeakPolarHBondContact CA-O 3.36Å; C141-C148 HydrophobicContact CB-CB 4.13Å; C141-C148 WeakPolarHBondContact CB-SG 3.2Å; C141-C148 WeakPolarHBondContact SG-CB 3.47Å; C141-C148 CovalentContact SG-SG 2.04Å; C141-C148 PolarHBondContact SG-SG 3.42Å
142	T	90.6	Very high	91.5	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	21%	0.208	C	C	.	.			trans	-70	170.8	166.3	59.4	0	0	0	0	110.9	R121 M125 F144 I145 Y147	R121-T142 HydrophobicContact CB-CG2 4.19Å; M125-T142 HydrophobicContact CG-CG2 3.66Å; T142-F144 PolarHBondContact O-N 3.1Å; T142-I145 PolarHBondContact O-N 2.8Å; T142-Y147 HydrophobicContact CG2-CD1 4.09Å; T142-Y147 HydrophobicContact CG2-CG 4.44Å; T142-Y147 PolarHBondContact N-O 3.41Å; T142-Y147 PolarHBondContact OG1-N 3.21Å; T142-Y147 PolarHBondContact OG1-O 2.81Å
143	D	84.7	Confident	91.9	Very high	43 Å²	43	31.3 Å²	31.3	23%	0.23	16%	0.163	C	C	.	.	G	3₁₀ helix	trans	-50.8	141.4	168.3	-75.2	-25.2	0	0	0	110.5	T124 K126 I145	T124-D143 VanDerWaalsContact CB-OD2 3.3Å; T124-D143 WeakPolarHBondContact CB-OD2 3.37Å; T124-D143 VanDerWaalsContact CG2-OD2 3.26Å; T124-D143 WeakPolarHBondContact CG2-OD2 3.18Å; K126-D143 IonicContact NZ-OD1 3.81Å; K126-D143 PolarHBondContact NZ-OD1 2.95Å; K126-D143 IonicContact NZ-OD2 2.99Å; D143-I145 PolarHBondContact O-N 3.07Å; D143-I145 VanDerWaalsContact O-N 3.1Å
144	F	79.6	Confident	92.2	Very high	58 Å²	58	27.8 Å²	27.8	25%	0.254	14%	0.142	S	C	.	.	G	3₁₀ helix	trans	58.1	13.7	-177.5	-41.7	-72.3	0	0	0	118.1	T142 E146 L193 R202	T142-F144 PolarHBondContact O-N 3.1Å; F144-E146 VanDerWaalsContact C-N 3.28Å; F144-E146 HydrophobicContact CB-CG 4.27Å; F144-E146 PolarHBondContact O-N 3.27Å; F144-L193 VanDerWaalsContact N-CD2 3.34Å; F144-R202 VanDerWaalsContact CB-NH2 3.33Å; F144-R202 WeakPolarHBondContact O-CD 3.41Å
145	I	86.8	Confident	92.6	Very high	4 Å²	4	19.5 Å²	19.5	2%	0.021	10%	0.103	C	C	.	.	G	3₁₀ helix	trans	62	38.6	177.8	-39.8	-173.4	0	0	0	111.3	T142 D143 C148 L190 L193 T194 L206	T142-I145 PolarHBondContact O-N 2.8Å; D143-I145 PolarHBondContact O-N 3.07Å; D143-I145 VanDerWaalsContact O-N 3.1Å; I145-C148 WeakPolarHBondContact CG2-SG 3.32Å; I145-L190 HydrophobicContact CD1-CD1 4.31Å; I145-L193 HydrophobicContact CD1-CB 4.08Å; I145-L193 HydrophobicContact CG1-CB 3.78Å; I145-T194 HydrophobicContact CD1-CG2 3.45Å; I145-T194 VanDerWaalsContact CD1-CG2 3.45Å; I145-L206 HydrophobicContact CG2-CD1 3.74Å
146	E	84.9	Confident	92.9	Very high	13 Å²	13	18 Å²	18	6%	0.061	9%	0.087	C	C	.	.	S	Bend	trans	-76.2	-38.9	175.3	-65.8	173.8	170.9	0	0	111.6	R121 F144 R202 L313 M317	R121-E146 IonicContact NE-OE2 3.87Å; F144-E146 VanDerWaalsContact C-N 3.28Å; F144-E146 HydrophobicContact CB-CG 4.27Å; F144-E146 PolarHBondContact O-N 3.27Å; E146-R202 IonicContact OE1-CZ 2.88Å; E146-R202 IonicContact OE1-NE 2.75Å; E146-R202 IonicContact OE1-NH2 3.73Å; E146-R202 PolarHBondContact OE1-NH2 3.03Å; E146-L313 HydrophobicContact CB-CD2 4.07Å; E146-L313 WeakPolarHBondContact O-CA 3.28Å; E146-M317 HydrophobicContact CB-SD 4.08Å; E146-M317 HydrophobicContact CG-SD 4.17Å
147	Y	91.9	Very high	92.8	Very high	2 Å²	2	17 Å²	17	1%	0.008	8%	0.081	C	C	.	.	S	Bend	trans	-131.8	135.8	173.1	169.4	-90.7	0	0	0	108.7	M125 C141 T142 L257 N258 M310 M311	M125-Y147 HydrophobicContact CE-CD1 4.15Å; M125-Y147 HydrophobicContact CE-CE1 3.71Å; M125-Y147 HydrophobicContact SD-CD1 4.4Å; M125-Y147 HydrophobicContact SD-CE1 4.18Å; C141-Y147 CarbonylContact C-O 3.46Å; C141-Y147 WeakPolarHBondContact CA-O 3.36Å; T142-Y147 HydrophobicContact CG2-CD1 4.09Å; T142-Y147 HydrophobicContact CG2-CG 4.44Å; T142-Y147 PolarHBondContact N-O 3.41Å; T142-Y147 PolarHBondContact OG1-N 3.21Å; T142-Y147 PolarHBondContact OG1-O 2.81Å; Y147-L257 HydrophobicContact CD1-CB 4.38Å; Y147-L257 HydrophobicContact CD1-CD1 3.91Å; Y147-L257 HydrophobicContact CD2-CB 4.38Å; Y147-L257 HydrophobicContact CD2-CD1 3.76Å; Y147-L257 HydrophobicContact CE1-CB 3.92Å; Y147-L257 HydrophobicContact CE1-CD1 4.3Å; Y147-L257 HydrophobicContact CE2-CB 3.91Å; Y147-L257 HydrophobicContact CE2-CD1 4.16Å; Y147-L257 HydrophobicContact CG-CD1 3.61Å; Y147-N258 PolarHBondContact OH-N 3.12Å; Y147-M310 HydrophobicContact CE2-CG 3.6Å; Y147-M310 HydrophobicContact CE2-SD 3.74Å; Y147-M311 WeakPolarHBondContact CA-O 3.39Å; Y147-M311 WeakPolarHBondContact CD2-O 3.41Å
148	C	95	Very high	92.5	Very high	1 Å²	1	24 Å²	24	1%	0.007	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	146.9	173.1	-66.3	0	0	0	0	111.6	L139 E140 C141 I145 L206 M311	L139-C148 HydrophobicContact CD1-CB 4.29Å; E140-C148 CarbonylContact O-C 3.52Å; E140-C148 VanDerWaalsContact O-CA 3.31Å; E140-C148 WeakPolarHBondContact O-CA 3.31Å; C141-C148 HydrophobicContact CB-CB 4.13Å; C141-C148 WeakPolarHBondContact CB-SG 3.2Å; C141-C148 WeakPolarHBondContact SG-CB 3.47Å; C141-C148 CovalentContact SG-SG 2.04Å; C141-C148 PolarHBondContact SG-SG 3.42Å; I145-C148 WeakPolarHBondContact CG2-SG 3.32Å; C148-L206 HydrophobicContact CB-CD1 4.11Å; C148-L206 VanDerWaalsContact SG-CD1 3.54Å; C148-M311 HydrophobicContact CB-CB 3.97Å; C148-M311 HydrophobicContact CB-SD 4.13Å; C148-M311 PolarHBondContact N-O 2.9Å; C148-M311 PolarHBondContact O-N 3.16Å
149	Y	96.3	Very high	92.1	Very high	35 Å²	35	24.2 Å²	24.2	14%	0.137	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	132	172.8	-179.5	-103.1	0	0	0	109.1	E140 K151 E308 M310	E140-Y149 PolarHBondContact N-O 2.86Å; E140-Y149 PolarHBondContact O-N 2.86Å; Y149-K151 HydrophobicContact CE1-CD 4.45Å; Y149-K151 HydrophobicContact CE1-CG 4Å; Y149-K151 VanDerWaalsContact OH-CE 3.23Å; Y149-K151 WeakPolarHBondContact OH-CE 3.31Å; Y149-K151 PolarHBondContact OH-NZ 3.38Å; Y149-E308 PolarHBondContact OH-OE1 3.03Å; Y149-E308 PolarHBondContact OH-OE2 3.24Å; Y149-M310 HydrophobicContact CD2-CB 4.24Å
150	A	96.4	Very high	91.5	Very high	1 Å²	1	24.7 Å²	24.7	1%	0.008	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	150.4	-176.9	0	0	0	0	0	112.3	S138 L139 I153 E308 V309	S138-A150 CarbonylContact O-C 3.6Å; S138-A150 WeakPolarHBondContact O-CA 3.09Å; S138-A150 VanDerWaalsContact O-CB 3.28Å; S138-A150 WeakPolarHBondContact O-CB 3.21Å; L139-A150 HydrophobicContact CB-CB 4.44Å; L139-A150 HydrophobicContact CD1-CB 3.76Å; A150-I153 HydrophobicContact CB-CD1 3.49Å; A150-I153 VanDerWaalsContact CB-CD1 3.49Å; A150-I153 HydrophobicContact CB-CG1 3.85Å; A150-I153 HydrophobicContact CB-CG2 4.02Å; A150-E308 WeakPolarHBondContact O-CA 3.32Å; A150-V309 HydrophobicContact CB-CG1 3.86Å; A150-V309 PolarHBondContact N-O 3.27Å; A150-V309 PolarHBondContact O-N 3.4Å
151	K	96.1	Very high	90.7	Very high	65 Å²	65	26.6 Å²	26.6	28%	0.283	13%	0.127	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	143.4	174.5	-57.8	-166.4	-178.8	-133	0	110.7	S137 S138 Y149 I153 R307 E308	S137-K151 VanDerWaalsContact CA-O 3.25Å; S137-K151 WeakPolarHBondContact CA-O 3.48Å; S138-K151 PolarHBondContact N-O 3.4Å; S138-K151 PolarHBondContact O-N 3.3Å; S138-K151 WeakPolarHBondContact OG-CB 3.35Å; Y149-K151 HydrophobicContact CE1-CD 4.45Å; Y149-K151 HydrophobicContact CE1-CG 4Å; Y149-K151 VanDerWaalsContact OH-CE 3.23Å; Y149-K151 WeakPolarHBondContact OH-CE 3.31Å; Y149-K151 PolarHBondContact OH-NZ 3.38Å; K151-I153 WeakPolarHBondContact O-CG2 3.38Å; K151-I153 PolarHBondContact O-N 2.92Å; K151-R307 CarbonylContact C-O 3.51Å; K151-R307 WeakPolarHBondContact CA-O 3.16Å; K151-E308 HydrophobicContact CG-CG 4.38Å; K151-E308 IonicContact NZ-OE1 3.87Å; K151-E308 PolarHBondContact NZ-OE1 3.39Å
152	N	96.5	Very high	89.7	Confident	11 Å²	11	28.2 Å²	28.2	6%	0.059	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	49.2	49.9	177.2	-55.2	-51	0	0	0	112.7	E134 D136 S137 F215 M217 F306 R307	E134-N152 PolarHBondContact O-ND2 2.84Å; D136-N152 PolarHBondContact O-ND2 3.44Å; S137-N152 WeakPolarHBondContact CB-O 3.46Å; S137-N152 PolarHBondContact OG-O 3.45Å; N152-F215 WeakPolarHBondContact O-CE1 3.29Å; N152-M217 HydrophobicContact CB-CG 3.88Å; N152-F306 CarbonylContact C-O 3.54Å; N152-F306 WeakPolarHBondContact CA-O 3.49Å; N152-F306 PolarHBondContact N-O 3.45Å; N152-F306 VanDerWaalsContact N-O 3.16Å; N152-R307 PolarHBondContact N-O 3.26Å
153	I	96.5	Very high	88.7	Confident	0 Å²	0	32.3 Å²	32.3	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	162.6	177.7	64	161	0	0	0	111.4	A150 K151 F155 G180 F209 C305 F306 V309	A150-I153 HydrophobicContact CB-CD1 3.49Å; A150-I153 VanDerWaalsContact CB-CD1 3.49Å; A150-I153 HydrophobicContact CB-CG1 3.85Å; A150-I153 HydrophobicContact CB-CG2 4.02Å; K151-I153 WeakPolarHBondContact O-CG2 3.38Å; K151-I153 PolarHBondContact O-N 2.92Å; I153-F155 HydrophobicContact CD1-CD2 4.41Å; I153-F155 HydrophobicContact CD1-CE2 3.75Å; I153-G180 WeakPolarHBondContact CA-O 3.01Å; I153-G180 WeakPolarHBondContact CB-O 3.14Å; I153-F209 HydrophobicContact CG2-CE2 4.03Å; I153-F209 HydrophobicContact CG2-CZ 4.13Å; I153-C305 WeakPolarHBondContact O-CA 3.42Å; I153-F306 PolarHBondContact N-O 2.95Å; I153-F306 VanDerWaalsContact N-O 3.13Å; I153-F306 PolarHBondContact O-N 3.14Å; I153-V309 HydrophobicContact CD1-CG1 3.58Å; I153-V309 HydrophobicContact CG1-CG1 3.66Å
154	F	96.3	Very high	87.9	Confident	3 Å²	3	33.5 Å²	33.5	1%	0.013	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	148.7	174.5	71.8	-92.3	0	0	0	112.4	H156 V179 G180 L212 F215 K303 V304 C305	F154-H156 HydrophobicContact CD2-CB 4.47Å; F154-V179 WeakPolarHBondContact O-CA 3.02Å; F154-G180 VanDerWaalsContact CD1-C 3.49Å; F154-G180 WeakPolarHBondContact CD1-O 3.42Å; F154-G180 WeakPolarHBondContact CE1-O 3.15Å; F154-G180 PolarHBondContact N-O 3.08Å; F154-G180 PolarHBondContact O-N 2.97Å; F154-L212 HydrophobicContact CE1-CD1 3.73Å; F154-L212 HydrophobicContact CZ-CD1 3.54Å; F154-F215 HydrophobicContact CB-CE2 3.96Å; F154-F215 HydrophobicContact CB-CZ 4.12Å; F154-F215 HydrophobicContact CD1-CD1 4.47Å; F154-F215 AromaticContact CD1-CD2 3.57Å; F154-F215 HydrophobicContact CD1-CD2 3.57Å; F154-F215 HydrophobicContact CD1-CE1 4.37Å; F154-F215 AromaticContact CD1-CE2 3.46Å; F154-F215 HydrophobicContact CD1-CE2 3.46Å; F154-F215 VanDerWaalsContact CD1-CE2 3.46Å; F154-F215 HydrophobicContact CD1-CG 4.09Å; F154-F215 AromaticContact CD1-CZ 3.88Å; F154-F215 HydrophobicContact CD1-CZ 3.88Å; F154-F215 HydrophobicContact CE1-CD2 4.01Å; F154-F215 HydrophobicContact CE1-CE2 4.35Å; F154-F215 HydrophobicContact CE1-CG 4.31Å; F154-F215 HydrophobicContact CG-CD2 4.47Å; F154-F215 HydrophobicContact CG-CE2 4.03Å; F154-F215 HydrophobicContact CG-CZ 4.47Å; F154-K303 HydrophobicContact CB-CG 4.38Å; F154-K303 HydrophobicContact CD2-CD 4.25Å; F154-K303 HydrophobicContact CD2-CG 4.19Å; F154-K303 VanDerWaalsContact CG-CE 3.49Å; F154-V304 CarbonylContact C-O 3.57Å; F154-V304 VanDerWaalsContact CA-O 3.28Å; F154-V304 WeakPolarHBondContact CA-O 3.5Å; F154-C305 HydrophobicContact CB-CB 4.47Å; F154-C305 VanDerWaalsContact CB-SG 3.57Å
155	F	95.9	Very high	87.1	Confident	4 Å²	4	32.8 Å²	32.8	2%	0.018	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	129.6	162	-77.9	-97	0	0	0	109.1	I153 F157 I174 E178 V179 L206 W270 V304 F306 M311	I153-F155 HydrophobicContact CD1-CD2 4.41Å; I153-F155 HydrophobicContact CD1-CE2 3.75Å; F155-F157 HydrophobicContact CB-CD2 4.32Å; F155-F157 HydrophobicContact CB-CE2 3.6Å; F155-F157 HydrophobicContact CB-CZ 3.73Å; F155-F157 HydrophobicContact CG-CZ 4.31Å; F155-I174 HydrophobicContact CD1-CD1 3.89Å; F155-I174 HydrophobicContact CD1-CG1 4.04Å; F155-I174 HydrophobicContact CE1-CG1 4.37Å; F155-E178 CarbonylContact C-O 3.55Å; F155-E178 WeakPolarHBondContact CA-O 3.43Å; F155-V179 HydrophobicContact CD1-CB 3.98Å; F155-V179 HydrophobicContact CD1-CG2 3.86Å; F155-V179 HydrophobicContact CD2-CG2 4.21Å; F155-V179 HydrophobicContact CE1-CB 3.94Å; F155-V179 HydrophobicContact CE1-CG2 3.53Å; F155-V179 HydrophobicContact CE2-CG2 3.91Å; F155-V179 HydrophobicContact CG-CG2 4.19Å; F155-V179 HydrophobicContact CZ-CB 4.45Å; F155-V179 HydrophobicContact CZ-CG2 3.55Å; F155-L206 HydrophobicContact CZ-CD2 4.01Å; F155-W270 HydrophobicContact CD1-CH2 4.3Å; F155-W270 HydrophobicContact CE1-CH2 4.21Å; F155-W270 HydrophobicContact CE1-CZ3 4.49Å; F155-V304 PolarHBondContact N-O 3.3Å; F155-V304 PolarHBondContact O-N 3.11Å; F155-F306 HydrophobicContact CB-CE2 4.06Å; F155-F306 HydrophobicContact CD2-CD2 4.03Å; F155-F306 AromaticContact CD2-CE2 3.61Å; F155-F306 HydrophobicContact CD2-CE2 3.61Å; F155-F306 HydrophobicContact CD2-CZ 4.46Å; F155-F306 HydrophobicContact CG-CE2 4.24Å; F155-M311 HydrophobicContact CE2-CE 3.61Å; F155-M311 HydrophobicContact CZ-CE 3.41Å; F155-M311 VanDerWaalsContact CZ-CE 3.41Å
156	H	94.7	Very high	86.1	Confident	50 Å²	50	37.6 Å²	37.6	23%	0.231	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	99.6	179.6	-170.5	-171.9	0	0	0	109.2	F154 K158 E178 K303	F154-H156 HydrophobicContact CD2-CB 4.47Å; H156-K158 PolarHBondContact O-N 3.05Å; H156-E178 HydrophobicContact CB-CB 4.15Å; H156-E178 HydrophobicContact CB-CG 4.44Å; H156-E178 WeakPolarHBondContact CB-O 3.26Å; H156-E178 PolarHBondContact N-O 2.93Å; H156-E178 WeakPolarHBondContact O-CB 3.11Å; H156-K303 HydrophobicContact CB-CB 4.38Å; H156-K303 HydrophobicContact CB-CD 4.5Å; H156-K303 HydrophobicContact CB-CG 4.11Å
157	F	92.4	Very high	85.3	Confident	2 Å²	2	40.1 Å²	40.1	1%	0.009	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.4	40.4	-176.2	-61.4	-85	0	0	0	112.4	F155 F160 V173 I174 W270 L296 V299 G301 K302 V304	F155-F157 HydrophobicContact CB-CD2 4.32Å; F155-F157 HydrophobicContact CB-CE2 3.6Å; F155-F157 HydrophobicContact CB-CZ 3.73Å; F155-F157 HydrophobicContact CG-CZ 4.31Å; F157-F160 HydrophobicContact CB-CB 4.45Å; F157-V173 HydrophobicContact CD1-CG1 3.97Å; F157-V173 HydrophobicContact CE1-CG1 4.19Å; F157-I174 HydrophobicContact CD1-CD1 3.87Å; F157-I174 HydrophobicContact CE1-CD1 3.97Å; F157-W270 AromaticContact CE1-CH2 3.87Å; F157-W270 HydrophobicContact CE1-CH2 3.87Å; F157-W270 AromaticContact CE1-CZ3 3.9Å; F157-W270 HydrophobicContact CE1-CZ3 3.9Å; F157-W270 HydrophobicContact CZ-CH2 4.43Å; F157-W270 HydrophobicContact CZ-CZ3 4.11Å; F157-L296 HydrophobicContact CD1-CD2 4.36Å; F157-L296 HydrophobicContact CE1-CD2 3.74Å; F157-L296 HydrophobicContact CZ-CD2 4.23Å; F157-V299 HydrophobicContact CD1-CG2 4.49Å; F157-V299 HydrophobicContact CD2-CB 3.93Å; F157-V299 HydrophobicContact CD2-CG2 3.77Å; F157-V299 HydrophobicContact CE1-CG2 4.47Å; F157-V299 HydrophobicContact CE2-CB 4.08Å; F157-V299 HydrophobicContact CE2-CG2 3.76Å; F157-V299 HydrophobicContact CG-CG2 4.15Å; F157-V299 HydrophobicContact CZ-CG2 4.12Å; F157-G301 VanDerWaalsContact O-CA 3.31Å; F157-G301 WeakPolarHBondContact O-CA 3.25Å; F157-G301 PolarHBondContact O-N 2.94Å; F157-K302 PolarHBondContact N-O 3.19Å; F157-V304 HydrophobicContact CD2-CG2 4.12Å; F157-V304 HydrophobicContact CE2-CB 4.27Å; F157-V304 HydrophobicContact CE2-CG2 4.09Å
158	K	89.1	Confident	84.2	Confident	148 Å²	148	43.7 Å²	43.7	64%	0.643	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.2	-41.7	-177.7	-179.6	-179.8	177.5	-178.5	0	112.1	H156 F160	H156-K158 PolarHBondContact O-N 3.05Å; K158-F160 VanDerWaalsContact C-N 3.29Å
159	S	86.3	Confident	83.1	Confident	32 Å²	32	47.3 Å²	47.3	22%	0.224	24%	0.238	C	C	.	.	S	Bend	trans	-78.9	-13	-178.4	-72.2	0	0	0	0	113.9	N161 K175 E178	S159-N161 PolarHBondContact O-N 3.27Å; S159-K175 VanDerWaalsContact OG-CD 3.27Å; S159-K175 WeakPolarHBondContact OG-CD 3.16Å; S159-E178 VanDerWaalsContact CB-OE1 3.28Å; S159-E178 WeakPolarHBondContact CB-OE1 3.44Å; S159-E178 WeakPolarHBondContact CB-OE2 3.39Å; S159-E178 PolarHBondContact N-OE1 2.84Å; S159-E178 VanDerWaalsContact OG-CD 3.31Å; S159-E178 PolarHBondContact OG-OE1 3Å; S159-E178 PolarHBondContact OG-OE2 3.49Å
160	F	82	Confident	81.9	Confident	10 Å²	10	46.4 Å²	46.4	4%	0.044	23%	0.234	C	C	.	.			trans	-73.9	119.5	-177.4	-178.6	-133.4	0	0	0	111.2	F157 K158 L162 V173 T272 L296 I300	F157-F160 HydrophobicContact CB-CB 4.45Å; K158-F160 VanDerWaalsContact C-N 3.29Å; F160-L162 HydrophobicContact CE1-CD2 4.05Å; F160-L162 HydrophobicContact CE1-CG 4.38Å; F160-L162 HydrophobicContact CZ-CD2 3.75Å; F160-L162 HydrophobicContact CZ-CG 4.35Å; F160-V173 HydrophobicContact CB-CG1 4.09Å; F160-V173 HydrophobicContact CD2-CB 4.44Å; F160-V173 HydrophobicContact CD2-CG1 4.07Å; F160-V173 HydrophobicContact CD2-CG2 4.16Å; F160-V173 HydrophobicContact CE2-CG2 4.39Å; F160-V173 HydrophobicContact CG-CG1 4.01Å; F160-T272 HydrophobicContact CE2-CG2 3.87Å; F160-T272 HydrophobicContact CZ-CG2 4.2Å; F160-L296 HydrophobicContact CD1-CB 4.36Å; F160-L296 HydrophobicContact CE1-CB 3.66Å; F160-L296 HydrophobicContact CE1-CD1 4.26Å; F160-L296 HydrophobicContact CZ-CB 4.27Å; F160-L296 HydrophobicContact CZ-CD1 4.27Å; F160-I300 HydrophobicContact CD1-CD1 3.82Å; F160-I300 HydrophobicContact CD1-CG1 3.32Å; F160-I300 HydrophobicContact CE1-CD1 3.6Å; F160-I300 HydrophobicContact CE1-CG1 3.6Å; F160-I300 HydrophobicContact CG-CG1 4.41Å
161	N	79.4	Confident	80.8	Confident	77 Å²	77	48.8 Å²	48.8	41%	0.412	25%	0.25	S	S	.	.			trans	-123	118.6	178.5	-176.4	1.1	0	0	0	110.4	S159 L163 S164 R170	S159-N161 PolarHBondContact O-N 3.27Å; N161-L163 VanDerWaalsContact C-N 3.28Å; N161-L163 PolarHBondContact O-N 3.32Å; N161-L163 PolarHBondContact OD1-N 2.84Å; N161-S164 PolarHBondContact O-OG 3.01Å; N161-R170 PolarHBondContact O-NH1 3.44Å
162	L	72.3	Confident	79.8	Confident	33 Å²	33	49 Å²	49	17%	0.173	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68	-25.2	177.7	-73.4	165.4	0	0	0	114.1	F160 S164 H297 I300	F160-L162 HydrophobicContact CE1-CD2 4.05Å; F160-L162 HydrophobicContact CE1-CG 4.38Å; F160-L162 HydrophobicContact CZ-CD2 3.75Å; F160-L162 HydrophobicContact CZ-CG 4.35Å; L162-S164 VanDerWaalsContact C-N 3.31Å; L162-H297 WeakPolarHBondContact CD1-CE1 3.27Å; L162-H297 WeakPolarHBondContact CD1-ND1 3.49Å; L162-H297 WeakPolarHBondContact CD2-CE1 3.42Å; L162-H297 WeakPolarHBondContact CD2-NE2 3.39Å; L162-I300 HydrophobicContact CD1-CD1 3.09Å; L162-I300 HydrophobicContact CD2-CD1 3.94Å; L162-I300 HydrophobicContact CG-CD1 3.27Å
163	L	70.7	Confident	79.1	Confident	86 Å²	86	48.5 Å²	48.5	45%	0.45	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.4	-14.9	-174.2	-64	177.5	0	0	0	112.6	N161 R274 L491	N161-L163 VanDerWaalsContact C-N 3.28Å; N161-L163 PolarHBondContact O-N 3.32Å; N161-L163 PolarHBondContact OD1-N 2.84Å; L163-R274 PolarHBondContact O-NH2 2.63Å; L163-L491 HydrophobicContact CD1-CD2 4.2Å
164	S	66.3	Low	78.8	Confident	69 Å²	69	48.6 Å²	48.6	48%	0.483	25%	0.252	S	S	.	.	S	Bend	trans	-80.8	-20.2	-168.8	63	0	0	0	0	114.9	N161 L162 R170	N161-S164 PolarHBondContact O-OG 3.01Å; L162-S164 VanDerWaalsContact C-N 3.31Å; S164-R170 PolarHBondContact OG-NH1 2.92Å; S164-R170 PolarHBondContact OG-NH2 3.43Å
165	S	63.4	Low	78.5	Confident	42 Å²	42	53.8 Å²	53.8	29%	0.294	28%	0.275	S	S	.	.			trans	-161.1	152.5	179	176.6	0	0	0	0	111.5	D167	S165-D167 VanDerWaalsContact C-N 3.32Å; S165-D167 VanDerWaalsContact OG-CB 3.24Å; S165-D167 WeakPolarHBondContact OG-CB 3.49Å; S165-D167 PolarHBondContact OG-N 2.91Å
166	N	65.1	Low	78.1	Confident	106 Å²	106	62 Å²	62	57%	0.567	31%	0.311	S	S	*	.			trans	-89.3	2.4	169	-76.2	-10.7	0	0	0	112.5	R168 H273	N166-R168 PolarHBondContact O-N 3.49Å; N166-H273 PolarHBondContact O-CD2 3.11Å
167	D	67.8	Low	77.7	Confident	65 Å²	65	61.1 Å²	61.1	35%	0.348	32%	0.315	S	S	.	.			trans	-66.5	130.9	177.2	-173.4	8.4	0	0	0	110.9	S165 Y169 R170 T272	S165-D167 VanDerWaalsContact C-N 3.32Å; S165-D167 VanDerWaalsContact OG-CB 3.24Å; S165-D167 WeakPolarHBondContact OG-CB 3.49Å; S165-D167 PolarHBondContact OG-N 2.91Å; D167-Y169 PolarHBondContact OD1-N 2.73Å; D167-Y169 VanDerWaalsContact OD1-N 3.08Å; D167-R170 HydrophobicContact CB-CG 3.78Å; D167-T272 PolarHBondContact O-OG1 3.38Å
168	R	69.5	Low	77.8	Confident	77 Å²	77	61.8 Å²	61.8	29%	0.291	32%	0.318	S	S	.	.	S	Bend	trans	-82.1	-18.7	-180	-52.3	-158	-175	178.7	2.5	112.8	N166 T272 H273	N166-R168 PolarHBondContact O-N 3.49Å; R168-T272 PolarHBondContact O-N 3.32Å; R168-T272 VanDerWaalsContact O-N 3.09Å; R168-T272 PolarHBondContact O-OG1 3.06Å; R168-H273 HydrophobicContact CG-CB 3.95Å
169	Y	72.9	Confident	78.1	Confident	78 Å²	78	54.7 Å²	54.7	31%	0.306	29%	0.288	S	S	.	.	S	Bend	trans	-125.3	50.4	-168.7	-48.9	-75.1	0	0	0	112.5	D167 L235 D236 A237 T272	D167-Y169 PolarHBondContact OD1-N 2.73Å; D167-Y169 VanDerWaalsContact OD1-N 3.08Å; Y169-L235 VanDerWaalsContact CE1-O 3.27Å; Y169-L235 WeakPolarHBondContact CE1-O 3.37Å; Y169-D236 WeakPolarHBondContact CE1-O 3.42Å; Y169-D236 PolarHBondContact OH-O 3.16Å; Y169-A237 WeakPolarHBondContact OH-CA 3.47Å; Y169-T272 PolarHBondContact N-OG1 3.03Å
170	R	71.5	Confident	78.5	Confident	15 Å²	15	53.2 Å²	53.2	6%	0.057	28%	0.277	C	S	.	.			trans	-76.7	143.9	-177.5	-65.1	167.8	57.7	-176.5	-1.6	112.5	N161 S164 D167 D172 T272	N161-R170 PolarHBondContact O-NH1 3.44Å; S164-R170 PolarHBondContact OG-NH1 2.92Å; S164-R170 PolarHBondContact OG-NH2 3.43Å; D167-R170 HydrophobicContact CB-CG 3.78Å; R170-D172 WeakPolarHBondContact CB-OD1 3.48Å; R170-D172 IonicContact CZ-OD1 2.71Å; R170-D172 VanDerWaalsContact CZ-OD1 3.27Å; R170-D172 IonicContact CZ-OD2 2.66Å; R170-D172 IonicContact NE-OD1 2.86Å; R170-D172 PolarHBondContact NE-OD1 2.79Å; R170-D172 IonicContact NE-OD2 2.77Å; R170-D172 IonicContact NH2-OD1 3.78Å; R170-D172 PolarHBondContact NH2-OD1 2.98Å; R170-D172 IonicContact NH2-OD2 3.06Å; R170-D172 PolarHBondContact NH2-OD2 2.83Å; R170-T272 HydrophobicContact CB-CG2 4.09Å; R170-T272 WeakPolarHBondContact CG-OG1 3.43Å; R170-T272 PolarHBondContact N-OG1 2.76Å
171	S	72.1	Confident	79.1	Confident	51 Å²	51	52.7 Å²	52.7	36%	0.357	28%	0.275	S	S	.	.	S	Bend	trans	-93.8	-8.1	175.4	54.9	0	0	0	0	114.6	E204	S171-E204 WeakPolarHBondContact CB-OE1 3.43Å
172	D	74.7	Confident	79.8	Confident	71 Å²	71	51.9 Å²	51.9	38%	0.38	27%	0.268	S	S	.	.			trans	-96	19.9	-174.8	73.3	-40.9	0	0	0	114	R170	R170-D172 WeakPolarHBondContact CB-OD1 3.48Å; R170-D172 IonicContact CZ-OD1 2.71Å; R170-D172 VanDerWaalsContact CZ-OD1 3.27Å; R170-D172 IonicContact CZ-OD2 2.66Å; R170-D172 IonicContact NE-OD1 2.86Å; R170-D172 PolarHBondContact NE-OD1 2.79Å; R170-D172 IonicContact NE-OD2 2.77Å; R170-D172 IonicContact NH2-OD1 3.78Å; R170-D172 PolarHBondContact NH2-OD1 2.98Å; R170-D172 IonicContact NH2-OD2 3.06Å; R170-D172 PolarHBondContact NH2-OD2 2.83Å
173	V	83.2	Confident	80.9	Confident	0 Å²	0	50.8 Å²	50.8	0%	0	26%	0.263	C	S	.	.	S	Bend	trans	-67	-37.5	-179.1	-178.5	0	0	0	0	112	F157 F160 W270 T272 L296	F157-V173 HydrophobicContact CD1-CG1 3.97Å; F157-V173 HydrophobicContact CE1-CG1 4.19Å; F160-V173 HydrophobicContact CB-CG1 4.09Å; F160-V173 HydrophobicContact CD2-CB 4.44Å; F160-V173 HydrophobicContact CD2-CG1 4.07Å; F160-V173 HydrophobicContact CD2-CG2 4.16Å; F160-V173 HydrophobicContact CE2-CG2 4.39Å; F160-V173 HydrophobicContact CG-CG1 4.01Å; V173-W270 HydrophobicContact CB-CZ2 3.8Å; V173-W270 HydrophobicContact CG1-CH2 4.28Å; V173-W270 HydrophobicContact CG1-CZ2 3.64Å; V173-W270 HydrophobicContact CG2-CZ2 4.29Å; V173-T272 HydrophobicContact CG2-CG2 3.43Å; V173-T272 VanDerWaalsContact CG2-CG2 3.43Å; V173-L296 HydrophobicContact CG1-CD1 4.42Å
174	I	89.1	Confident	82	Confident	1 Å²	1	53.8 Å²	53.8	1%	0.005	27%	0.272	C	S	.	.			trans	-123.8	131.8	-175.2	-59	-61.8	0	0	0	109.6	F155 F157 E178 V179 E205 H208 W270	F155-I174 HydrophobicContact CD1-CD1 3.89Å; F155-I174 HydrophobicContact CD1-CG1 4.04Å; F155-I174 HydrophobicContact CE1-CG1 4.37Å; F157-I174 HydrophobicContact CD1-CD1 3.87Å; F157-I174 HydrophobicContact CE1-CD1 3.97Å; I174-E178 HydrophobicContact CG2-CB 3.92Å; I174-V179 HydrophobicContact CG2-CB 4.04Å; I174-V179 HydrophobicContact CG2-CG1 3.72Å; I174-E205 HydrophobicContact CB-CB 3.91Å; I174-E205 HydrophobicContact CB-CG 4.02Å; I174-E205 HydrophobicContact CG1-CB 4.04Å; I174-E205 HydrophobicContact CG1-CG 4.05Å; I174-E205 HydrophobicContact CG2-CB 4.44Å; I174-H208 HydrophobicContact CG2-CB 4.39Å; I174-H208 PolarHBondContact O-CD2 3.11Å; I174-W270 HydrophobicContact CD1-CH2 4.42Å; I174-W270 HydrophobicContact CG1-CH2 3.88Å; I174-W270 HydrophobicContact CG1-CZ2 4.15Å
175	K	89.2	Confident	83.3	Confident	112 Å²	112	52.9 Å²	52.9	49%	0.487	26%	0.261	S	S	.	.			trans	-108.7	174.8	175.3	-62.9	-171	-171.5	157.1	0	112	S159 G177 E178 H208	S159-K175 VanDerWaalsContact OG-CD 3.27Å; S159-K175 WeakPolarHBondContact OG-CD 3.16Å; K175-G177 PolarHBondContact O-N 3.2Å; K175-E178 PolarHBondContact N-OE2 2.91Å; K175-E178 VanDerWaalsContact O-CB 3.32Å; K175-E178 WeakPolarHBondContact O-CB 3.34Å; K175-E178 PolarHBondContact O-N 3.41Å; K175-H208 WeakPolarHBondContact O-CB 3.33Å
176	K	87.4	Confident	84.7	Confident	178 Å²	178	53 Å²	53	77%	0.774	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.1	126	179.4	-171.7	178.3	179.6	-179.2	0	111.4	E178	K176-E178 VanDerWaalsContact C-N 3.29Å
177	G	88.3	Confident	85.8	Confident	31 Å²	31	51 Å²	51	32%	0.32	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	84.2	-3.7	178.5	0	0	0	0	0	114.9	K175 V179 H208	K175-G177 PolarHBondContact O-N 3.2Å; G177-V179 VanDerWaalsContact C-N 3.35Å; G177-H208 PolarHBondContact N-O 2Å
178	E	93.8	Very high	86.7	Confident	15 Å²	15	50.7 Å²	50.7	7%	0.07	27%	0.268	C	S	.	.	S	Bend	trans	-86.6	-8.1	177.1	-69.5	-178.1	162.2	0	0	112.9	F155 H156 S159 I174 K175 K176	F155-E178 CarbonylContact C-O 3.55Å; F155-E178 WeakPolarHBondContact CA-O 3.43Å; H156-E178 HydrophobicContact CB-CB 4.15Å; H156-E178 HydrophobicContact CB-CG 4.44Å; H156-E178 WeakPolarHBondContact CB-O 3.26Å; H156-E178 PolarHBondContact N-O 2.93Å; H156-E178 WeakPolarHBondContact O-CB 3.11Å; S159-E178 VanDerWaalsContact CB-OE1 3.28Å; S159-E178 WeakPolarHBondContact CB-OE1 3.44Å; S159-E178 WeakPolarHBondContact CB-OE2 3.39Å; S159-E178 PolarHBondContact N-OE1 2.84Å; S159-E178 VanDerWaalsContact OG-CD 3.31Å; S159-E178 PolarHBondContact OG-OE1 3Å; S159-E178 PolarHBondContact OG-OE2 3.49Å; I174-E178 HydrophobicContact CG2-CB 3.92Å; K175-E178 PolarHBondContact N-OE2 2.91Å; K175-E178 VanDerWaalsContact O-CB 3.32Å; K175-E178 WeakPolarHBondContact O-CB 3.34Å; K175-E178 PolarHBondContact O-N 3.41Å; K176-E178 VanDerWaalsContact C-N 3.29Å
179	V	94.7	Very high	87.6	Confident	0 Å²	0	52.8 Å²	52.8	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	138.1	170.5	57.5	0	0	0	0	109.4	F154 F155 I174 G177 L206 H208 F209 T210	F154-V179 WeakPolarHBondContact O-CA 3.02Å; F155-V179 HydrophobicContact CD1-CB 3.98Å; F155-V179 HydrophobicContact CD1-CG2 3.86Å; F155-V179 HydrophobicContact CD2-CG2 4.21Å; F155-V179 HydrophobicContact CE1-CB 3.94Å; F155-V179 HydrophobicContact CE1-CG2 3.53Å; F155-V179 HydrophobicContact CE2-CG2 3.91Å; F155-V179 HydrophobicContact CG-CG2 4.19Å; F155-V179 HydrophobicContact CZ-CB 4.45Å; F155-V179 HydrophobicContact CZ-CG2 3.55Å; I174-V179 HydrophobicContact CG2-CB 4.04Å; I174-V179 HydrophobicContact CG2-CG1 3.72Å; G177-V179 VanDerWaalsContact C-N 3.35Å; V179-L206 HydrophobicContact CG2-CD2 4.17Å; V179-H208 HydrophobicContact CG1-CB 4.05Å; V179-F209 HydrophobicContact CG1-CB 4.49Å; V179-F209 HydrophobicContact CG2-CD2 3.93Å; V179-F209 HydrophobicContact CG2-CE2 4.45Å; V179-F209 WeakPolarHBondContact O-CA 3.3Å; V179-T210 PolarHBondContact O-N 3.09Å; V179-T210 PolarHBondContact O-OG1 3.11Å; V179-T210 VanDerWaalsContact O-OG1 3.13Å
180	G	95	Very high	88.3	Confident	0 Å²	0	49.6 Å²	49.6	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	174.2	-171.1	-177.1	0	0	0	0	0	115.6	I153 F154 T210	I153-G180 WeakPolarHBondContact CA-O 3.01Å; I153-G180 WeakPolarHBondContact CB-O 3.14Å; F154-G180 VanDerWaalsContact CD1-C 3.49Å; F154-G180 WeakPolarHBondContact CD1-O 3.42Å; F154-G180 WeakPolarHBondContact CE1-O 3.15Å; F154-G180 PolarHBondContact N-O 3.08Å; F154-G180 PolarHBondContact O-N 2.97Å; G180-T210 WeakPolarHBondContact CA-O 3.34Å
181	G	94.7	Very high	88.9	Confident	0 Å²	0	54.2 Å²	54.2	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-177.5	177.9	180	0	0	0	0	0	111.9	S137 T210 S211 L212	S137-G181 WeakPolarHBondContact OG-CA 3.48Å; G181-T210 PolarHBondContact N-O 3.2Å; G181-T210 VanDerWaalsContact N-O 3.15Å; G181-S211 CarbonylContact O-C 3.26Å; G181-S211 VanDerWaalsContact O-CA 3.26Å; G181-S211 WeakPolarHBondContact O-CA 3.39Å; G181-L212 PolarHBondContact O-N 3.06Å
182	K	95	Very high	89.4	Confident	60 Å²	60	55 Å²	55	26%	0.261	30%	0.296	S	S	.	.	S	Bend	trans	-93.2	98.4	177.7	-179.3	174.6	173.7	-125.5	0	110	D136 S137 L212 D213 F215	D136-K182 WeakPolarHBondContact CB-O 3.18Å; D136-K182 WeakPolarHBondContact OD1-CD 3.43Å; D136-K182 IonicContact OD1-NZ 3.19Å; D136-K182 PolarHBondContact OD1-NZ 2.76Å; D136-K182 IonicContact OD2-NZ 3.68Å; D136-K182 PolarHBondContact OD2-NZ 2.88Å; S137-K182 PolarHBondContact N-O 3.18Å; S137-K182 PolarHBondContact OG-N 3.08Å; K182-L212 WeakPolarHBondContact CA-O 3.34Å; K182-L212 WeakPolarHBondContact CB-O 3.4Å; K182-D213 WeakPolarHBondContact CD-O 3.45Å; K182-D213 WeakPolarHBondContact CE-O 3.43Å; K182-F215 HydrophobicContact CB-CB 4.33Å; K182-F215 HydrophobicContact CB-CD1 4.33Å; K182-F215 WeakPolarHBondContact CD-O 3.4Å
183	C	94.2	Very high	89.6	Confident	10 Å²	10	52.6 Å²	52.6	7%	0.068	28%	0.283	C	S	.	.	S	Bend	trans	-166.8	166.2	-177.9	48.9	0	0	0	0	113.4	C129 S137 L185 S211	C129-C183 HydrophobicContact CB-CB 3.98Å; C129-C183 WeakPolarHBondContact CB-SG 3.46Å; C129-C183 WeakPolarHBondContact SG-CB 3.23Å; C129-C183 CovalentContact SG-SG 2Å; C129-C183 PolarHBondContact SG-SG 2.91Å; S137-C183 WeakPolarHBondContact O-CB 3.47Å; C183-L185 PolarHBondContact O-N 2.76Å; C183-S211 PolarHBondContact N-OG 2.89Å; C183-S211 VanDerWaalsContact O-CB 3.3Å; C183-S211 WeakPolarHBondContact O-CB 3.19Å; C183-S211 PolarHBondContact O-OG 3.13Å
184	K	93.9	Very high	89.2	Confident	148 Å²	148	54.7 Å²	54.7	64%	0.643	30%	0.296	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.3	107.5	172.2	-175.8	178.5	178.5	176.6	0	109.8	C129 S130	C129-K184 WeakPolarHBondContact CA-O 3.09Å; S130-K184 PolarHBondContact N-O 2.75Å; S130-K184 VanDerWaalsContact N-O 3.13Å; S130-K184 WeakPolarHBondContact O-CB 3.28Å; S130-K184 PolarHBondContact O-N 3.33Å
185	L	93.5	Very high	88.1	Confident	50 Å²	50	59.6 Å²	59.6	26%	0.262	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	125.1	179.8	-178.5	62.7	0	0	0	111.9	I128 C183 A187 L190 F209	I128-L185 HydrophobicContact CG2-CD1 4.05Å; C183-L185 PolarHBondContact O-N 2.76Å; L185-A187 PolarHBondContact O-N 3.46Å; L185-L190 HydrophobicContact CD1-CD2 4.46Å; L185-F209 HydrophobicContact CD1-CD1 3.8Å; L185-F209 HydrophobicContact CD1-CE1 4.35Å
186	H	93.6	Very high	86.6	Confident	45 Å²	45	60.7 Å²	60.7	21%	0.208	32%	0.323	C	S	.	.			trans	-90.8	72.7	173.7	-58.4	-71.9	0	0	0	110.3	Y127 I128 S130 G188 R189 L190	Y127-H186 PolarHBondContact O-CD2 2.77Å; I128-H186 WeakPolarHBondContact O-CB 3.19Å; I128-H186 PolarHBondContact O-CD2 3.35Å; I128-H186 PolarHBondContact O-N 3.47Å; S130-H186 PolarHBondContact OG-NE2 2.87Å; S130-H186 VanDerWaalsContact OG-NE2 3.09Å; H186-G188 VanDerWaalsContact C-N 3.3Å; H186-G188 PolarHBondContact O-N 2.85Å; H186-R189 HydrophobicContact CB-CB 4.14Å; H186-R189 HydrophobicContact CB-CG 4.07Å; H186-R189 WeakPolarHBondContact O-CB 3.45Å; H186-R189 PolarHBondContact O-N 3.01Å; H186-L190 PolarHBondContact O-N 2.99Å; H186-L190 VanDerWaalsContact O-N 3.11Å
187	A	87.6	Confident	84.7	Confident	63 Å²	63	59.3 Å²	59.3	52%	0.521	33%	0.329	S	S	.	.	H	α-helix	trans	-55.1	-38.3	-171.7	0	0	0	0	0	114.4	L185 R189 L190 H191	L185-A187 PolarHBondContact O-N 3.46Å; A187-R189 VanDerWaalsContact C-N 3.31Å; A187-R189 PolarHBondContact O-N 2.76Å; A187-L190 PolarHBondContact O-N 2.79Å; A187-H191 WeakPolarHBondContact O-CB 3.24Å; A187-H191 PolarHBondContact O-N 2.69Å
188	G	86.4	Confident	82.7	Confident	60 Å²	60	61.5 Å²	61.5	62%	0.619	35%	0.345	S	S	*	.	H	α-helix	trans	-63	-35.2	176.2	0	0	0	0	0	113.2	H186 A192	H186-G188 VanDerWaalsContact C-N 3.3Å; H186-G188 PolarHBondContact O-N 2.85Å; G188-A192 WeakPolarHBondContact O-CB 3.37Å; G188-A192 PolarHBondContact O-N 3.11Å
189	R	88.1	Confident	80.5	Confident	120 Å²	120	64.4 Å²	64.4	45%	0.453	36%	0.36	S	S	.	.	H	α-helix	trans	-70.6	-45.4	174.4	-65.3	-177	-175.3	168.4	-1.1	111.1	Y127 H186 A187 H191 A192 L193	Y127-R189 PolarHBondContact O-NH1 2.87Å; H186-R189 HydrophobicContact CB-CB 4.14Å; H186-R189 HydrophobicContact CB-CG 4.07Å; H186-R189 WeakPolarHBondContact O-CB 3.45Å; H186-R189 PolarHBondContact O-N 3.01Å; A187-R189 VanDerWaalsContact C-N 3.31Å; A187-R189 PolarHBondContact O-N 2.76Å; R189-H191 VanDerWaalsContact C-N 3.33Å; R189-H191 PolarHBondContact O-N 2.89Å; R189-A192 PolarHBondContact O-N 2.8Å; R189-L193 WeakPolarHBondContact O-CB 3.43Å; R189-L193 VanDerWaalsContact O-CG 3.25Å; R189-L193 WeakPolarHBondContact O-CG 3.33Å; R189-L193 PolarHBondContact O-N 2.77Å
190	L	87.5	Confident	78.5	Confident	12 Å²	12	70.6 Å²	70.6	6%	0.063	39%	0.392	C	S	.	.	H	α-helix	trans	-56	-51.1	176.5	179.4	57.9	0	0	0	110.4	I128 I145 L185 H186 A187 A192 L193 T194 L206 F209	I128-L190 HydrophobicContact CD1-CD1 4.26Å; I128-L190 HydrophobicContact CG2-CB 3.92Å; I128-L190 HydrophobicContact CG2-CD1 4.12Å; I128-L190 HydrophobicContact CG2-CG 4.44Å; I145-L190 HydrophobicContact CD1-CD1 4.31Å; L185-L190 HydrophobicContact CD1-CD2 4.46Å; H186-L190 PolarHBondContact O-N 2.99Å; H186-L190 VanDerWaalsContact O-N 3.11Å; A187-L190 PolarHBondContact O-N 2.79Å; L190-A192 PolarHBondContact O-N 2.85Å; L190-L193 PolarHBondContact O-N 2.86Å; L190-T194 HydrophobicContact CD1-CG2 4.04Å; L190-T194 WeakPolarHBondContact O-CG2 3.47Å; L190-T194 PolarHBondContact O-N 3.41Å; L190-T194 PolarHBondContact O-OG1 2.98Å; L190-T194 VanDerWaalsContact O-OG1 3.07Å; L190-L206 WeakPolarHBondContact CD1-O 3.27Å; L190-F209 HydrophobicContact CD2-CB 4.12Å
191	H	84.8	Confident	76.8	Confident	112 Å²	112	73 Å²	73	52%	0.519	41%	0.405	S	S	.	.	H	α-helix	trans	-59	-45	178.4	-173.9	-86.6	0	0	0	112.1	A187 R189 L193 T194 N195	A187-H191 WeakPolarHBondContact O-CB 3.24Å; A187-H191 PolarHBondContact O-N 2.69Å; R189-H191 VanDerWaalsContact C-N 3.33Å; R189-H191 PolarHBondContact O-N 2.89Å; H191-L193 VanDerWaalsContact C-N 3.3Å; H191-L193 PolarHBondContact O-N 3.09Å; H191-T194 WeakPolarHBondContact CA-OG1 3.35Å; H191-T194 PolarHBondContact O-N 2.97Å; H191-T194 PolarHBondContact O-OG1 3.18Å; H191-N195 PolarHBondContact CE1-ND2 3.35Å; H191-N195 WeakPolarHBondContact O-CB 3.41Å; H191-N195 PolarHBondContact O-N 2.84Å
192	A	81.7	Confident	75.9	Confident	68 Å²	68	74.2 Å²	74.2	56%	0.562	41%	0.41	S	S	*	.	H	α-helix	trans	-61.6	-37.3	177.9	0	0	0	0	0	113	G188 R189 L190	G188-A192 WeakPolarHBondContact O-CB 3.37Å; G188-A192 PolarHBondContact O-N 3.11Å; R189-A192 PolarHBondContact O-N 2.8Å; L190-A192 PolarHBondContact O-N 2.85Å
193	L	79.1	Confident	75.3	Confident	19 Å²	19	71.6 Å²	71.6	10%	0.099	40%	0.398	C	S	.	.	H	α-helix	trans	-72.9	-29.4	178.2	-67.6	169	0	0	0	112.4	I128 F144 I145 R189 L190 H191	I128-L193 HydrophobicContact CD1-CD1 3.64Å; I128-L193 HydrophobicContact CG1-CD1 3.9Å; F144-L193 VanDerWaalsContact N-CD2 3.34Å; I145-L193 HydrophobicContact CD1-CB 4.08Å; I145-L193 HydrophobicContact CG1-CB 3.78Å; R189-L193 WeakPolarHBondContact O-CB 3.43Å; R189-L193 VanDerWaalsContact O-CG 3.25Å; R189-L193 WeakPolarHBondContact O-CG 3.33Å; R189-L193 PolarHBondContact O-N 2.77Å; L190-L193 PolarHBondContact O-N 2.86Å; H191-L193 VanDerWaalsContact C-N 3.3Å; H191-L193 PolarHBondContact O-N 3.09Å
194	T	75.9	Confident	74.6	Confident	45 Å²	45	73.2 Å²	73.2	28%	0.276	41%	0.405	S	S	.	.	H	α-helix	trans	-94.4	-20	-178.4	57.2	0	0	0	0	114.9	I145 L190 H191 R196 R207	I145-T194 HydrophobicContact CD1-CG2 3.45Å; I145-T194 VanDerWaalsContact CD1-CG2 3.45Å; L190-T194 HydrophobicContact CD1-CG2 4.04Å; L190-T194 WeakPolarHBondContact O-CG2 3.47Å; L190-T194 PolarHBondContact O-N 3.41Å; L190-T194 PolarHBondContact O-OG1 2.98Å; L190-T194 VanDerWaalsContact O-OG1 3.07Å; H191-T194 WeakPolarHBondContact CA-OG1 3.35Å; H191-T194 PolarHBondContact O-N 2.97Å; H191-T194 PolarHBondContact O-OG1 3.18Å; T194-R196 PolarHBondContact O-N 3.31Å; T194-R207 HydrophobicContact CG2-CB 3.71Å
195	N	66.3	Low	74.2	Confident	104 Å²	104	66.5 Å²	66.5	56%	0.556	38%	0.375	S	S	*	.			trans	-82.3	37.5	-168.4	-168.3	29.1	0	0	0	114.9	H191	H191-N195 PolarHBondContact CE1-ND2 3.35Å; H191-N195 WeakPolarHBondContact O-CB 3.41Å; H191-N195 PolarHBondContact O-N 2.84Å
196	R	57	Low	74	Confident	135 Å²	135	64.1 Å²	64.1	51%	0.509	36%	0.363	S	S	.	.			trans	-118.3	126.2	172.4	-69.5	-161.7	179.5	-157	7.2	110.9	T194 A198 E418	T194-R196 PolarHBondContact O-N 3.31Å; R196-A198 VanDerWaalsContact C-N 3.29Å; R196-A198 PolarHBondContact O-N 3.44Å; R196-A198 VanDerWaalsContact O-N 3.11Å; R196-E418 IonicContact CZ-OE1 3.27Å; R196-E418 IonicContact CZ-OE2 2.77Å; R196-E418 IonicContact NH1-OE1 3.59Å; R196-E418 PolarHBondContact NH1-OE1 3.41Å; R196-E418 IonicContact NH1-OE2 2.76Å; R196-E418 PolarHBondContact NH1-OE2 2.9Å; R196-E418 IonicContact NH2-OE2 3.01Å; R196-E418 PolarHBondContact NH2-OE2 3.5Å
197	T	47.3	Very low	73.6	Confident	148 Å²	148	67.1 Å²	67.1	91%	0.908	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.6	7.3	-161.9	48.1	0	0	0	0	116.7
198	A	45.8	Very low	73.7	Confident	78 Å²	78	66.1 Å²	66.1	65%	0.645	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-143.2	28.9	-158.8	0	0	0	0	0	117.4	R196	R196-A198 VanDerWaalsContact C-N 3.29Å; R196-A198 PolarHBondContact O-N 3.44Å; R196-A198 VanDerWaalsContact O-N 3.11Å
199	L	49.3	Very low	74.1	Confident	75 Å²	75	63.6 Å²	63.6	39%	0.393	33%	0.329	S	S	.	.			trans	-141.7	95.1	173.8	-68.7	169.8	0	0	0	109.9	D201 F318	L199-D201 VanDerWaalsContact C-N 3.28Å; L199-D201 PolarHBondContact O-N 3.24Å; L199-F318 HydrophobicContact CD2-CB 4.37Å
200	I	52.1	Low	74.3	Confident	130 Å²	130	59.3 Å²	59.3	67%	0.667	32%	0.316	S	S	*	.			trans	-72.3	-17.7	-172.8	-71.8	171.1	0	0	0	112.5
201	D	59.7	Low	74.6	Confident	51 Å²	51	60.8 Å²	60.8	27%	0.273	33%	0.328	S	S	.	.	S	Bend	trans	-109.5	53.8	-171.1	-56	-32.9	0	0	0	111.9	L199 L314 R316	L199-D201 VanDerWaalsContact C-N 3.28Å; L199-D201 PolarHBondContact O-N 3.24Å; D201-L314 WeakPolarHBondContact O-CD1 2.92Å; D201-R316 HydrophobicContact CB-CB 3.85Å; D201-R316 WeakPolarHBondContact OD2-CB 3.32Å; D201-R316 VanDerWaalsContact OD2-CD 3.26Å; D201-R316 WeakPolarHBondContact OD2-CD 3.43Å
202	R	74.4	Confident	74.9	Confident	26 Å²	26	58.6 Å²	58.6	10%	0.098	32%	0.319	C	S	.	.	S	Bend	trans	-127	178.5	173.4	-65.5	-166.1	178.9	143.1	-19	111.9	F144 E146 E204 K234	F144-R202 VanDerWaalsContact CB-NH2 3.33Å; F144-R202 WeakPolarHBondContact O-CD 3.41Å; E146-R202 IonicContact OE1-CZ 2.88Å; E146-R202 IonicContact OE1-NE 2.75Å; E146-R202 IonicContact OE1-NH2 3.73Å; E146-R202 PolarHBondContact OE1-NH2 3.03Å; R202-E204 PolarHBondContact O-N 3.36Å; R202-K234 PolarHBondContact O-NZ 3.14Å
203	Y	83.6	Confident	75.3	Confident	5 Å²	5	61.8 Å²	61.8	2%	0.02	33%	0.327	C	S	.	.			trans	-77.9	53.1	174.1	-56.1	-81.2	0	0	0	112.4	E205 L206 V232 K234 M311 P312 L314	Y203-E205 PolarHBondContact O-N 2.92Å; Y203-E205 VanDerWaalsContact O-N 3.16Å; Y203-L206 WeakPolarHBondContact O-CB 3.11Å; Y203-L206 PolarHBondContact O-N 3.22Å; Y203-L206 VanDerWaalsContact O-N 3.13Å; Y203-V232 PolarHBondContact OH-O 3.19Å; Y203-K234 HydrophobicContact CE1-CG 4.38Å; Y203-M311 HydrophobicContact CD1-CB 3.77Å; Y203-M311 HydrophobicContact CD1-CG 3.54Å; Y203-M311 HydrophobicContact CD1-SD 3.58Å; Y203-M311 VanDerWaalsContact CD1-SD 3.58Å; Y203-M311 HydrophobicContact CD2-CB 3.74Å; Y203-M311 HydrophobicContact CD2-CG 4.39Å; Y203-M311 HydrophobicContact CD2-SD 4.42Å; Y203-M311 HydrophobicContact CE1-CB 3.49Å; Y203-M311 VanDerWaalsContact CE1-CB 3.49Å; Y203-M311 HydrophobicContact CE1-CG 3.49Å; Y203-M311 VanDerWaalsContact CE1-CG 3.49Å; Y203-M311 HydrophobicContact CE1-SD 4.18Å; Y203-M311 HydrophobicContact CE2-CB 3.5Å; Y203-M311 VanDerWaalsContact CE2-CB 3.5Å; Y203-M311 HydrophobicContact CE2-CG 4.37Å; Y203-M311 HydrophobicContact CG-CB 3.88Å; Y203-M311 HydrophobicContact CG-CG 4.01Å; Y203-M311 HydrophobicContact CG-SD 3.72Å; Y203-M311 VanDerWaalsContact OH-C 3.23Å; Y203-P312 WeakPolarHBondContact CE2-O 3.44Å; Y203-P312 WeakPolarHBondContact OH-CD 3.35Å; Y203-P312 VanDerWaalsContact OH-N 3.08Å; Y203-P312 PolarHBondContact OH-O 3.04Å; Y203-L314 HydrophobicContact CD2-CD1 4.43Å; Y203-L314 HydrophobicContact CE2-CD1 3.99Å; Y203-L314 HydrophobicContact CE2-CD2 4.35Å; Y203-L314 HydrophobicContact CE2-CG 4.09Å; Y203-L314 WeakPolarHBondContact OH-CD2 3.07Å
204	E	78.4	Confident	75.8	Confident	44 Å²	44	64.9 Å²	64.9	21%	0.206	35%	0.35	C	S	.	.	G	3₁₀ helix	trans	-62.8	-20.7	-177.2	67.8	169.4	138.7	0	0	113.5	S171 R202 L206 R207	S171-E204 WeakPolarHBondContact CB-OE1 3.43Å; R202-E204 PolarHBondContact O-N 3.36Å; E204-L206 PolarHBondContact O-N 3.49Å; E204-L206 VanDerWaalsContact O-N 3.12Å; E204-R207 WeakPolarHBondContact O-CB 3.37Å; E204-R207 WeakPolarHBondContact O-CD 3.39Å; E204-R207 WeakPolarHBondContact O-CG 3.5Å; E204-R207 PolarHBondContact O-N 3.25Å; E204-R207 IonicContact OE2-CZ 3.66Å; E204-R207 IonicContact OE2-NH1 3.68Å; E204-R207 PolarHBondContact OE2-NH1 3.36Å
205	E	86	Confident	76.6	Confident	6 Å²	6	63 Å²	63	3%	0.028	34%	0.338	C	S	.	.	G	3₁₀ helix	trans	-56.6	-27.8	175.1	-66.5	86.7	171.3	0	0	111.5	I174 Y203 R207 H208 K234 W270	I174-E205 HydrophobicContact CB-CB 3.91Å; I174-E205 HydrophobicContact CB-CG 4.02Å; I174-E205 HydrophobicContact CG1-CB 4.04Å; I174-E205 HydrophobicContact CG1-CG 4.05Å; I174-E205 HydrophobicContact CG2-CB 4.44Å; Y203-E205 PolarHBondContact O-N 2.92Å; Y203-E205 VanDerWaalsContact O-N 3.16Å; E205-R207 PolarHBondContact O-N 3.48Å; E205-H208 WeakPolarHBondContact O-CB 3.49Å; E205-H208 PolarHBondContact O-N 3.11Å; E205-H208 VanDerWaalsContact O-N 3.08Å; E205-K234 WeakPolarHBondContact OE1-CE 3.05Å; E205-K234 IonicContact OE1-NZ 3.51Å; E205-K234 PolarHBondContact OE1-NZ 3.27Å; E205-K234 WeakPolarHBondContact OE2-CE 3.35Å; E205-K234 IonicContact OE2-NZ 3.94Å; E205-K234 PolarHBondContact OE2-NZ 3.33Å; E205-W270 HydrophobicContact CG-CH2 4.33Å; E205-W270 HydrophobicContact CG-CZ2 3.78Å
206	L	89.6	Confident	77.8	Confident	1 Å²	1	64.4 Å²	64.4	1%	0.005	34%	0.339	C	S	.	.	G	3₁₀ helix	trans	-64.6	-14.6	173.4	-66.8	179	0	0	0	113.6	L139 I145 C148 F155 V179 L190 Y203 E204 H208 F209 M311	L139-L206 HydrophobicContact CD1-CD1 4.36Å; L139-L206 HydrophobicContact CD2-CD2 4.45Å; I145-L206 HydrophobicContact CG2-CD1 3.74Å; C148-L206 HydrophobicContact CB-CD1 4.11Å; C148-L206 VanDerWaalsContact SG-CD1 3.54Å; F155-L206 HydrophobicContact CZ-CD2 4.01Å; V179-L206 HydrophobicContact CG2-CD2 4.17Å; L190-L206 WeakPolarHBondContact CD1-O 3.27Å; Y203-L206 WeakPolarHBondContact O-CB 3.11Å; Y203-L206 PolarHBondContact O-N 3.22Å; Y203-L206 VanDerWaalsContact O-N 3.13Å; E204-L206 PolarHBondContact O-N 3.49Å; E204-L206 VanDerWaalsContact O-N 3.12Å; L206-H208 PolarHBondContact O-N 3.03Å; L206-H208 VanDerWaalsContact O-N 3.09Å; L206-F209 HydrophobicContact CD2-CD2 4.27Å; L206-F209 WeakPolarHBondContact O-CB 3.19Å; L206-F209 PolarHBondContact O-N 2.93Å; L206-M311 HydrophobicContact CD1-SD 3.73Å; L206-M311 HydrophobicContact CD2-CE 4.18Å; L206-M311 HydrophobicContact CD2-SD 4.38Å; L206-M311 HydrophobicContact CG-SD 4.21Å
207	R	86	Confident	79.4	Confident	107 Å²	107	59.2 Å²	59.2	40%	0.404	32%	0.321	S	S	.	.	G	3₁₀ helix	trans	-58.1	-22.7	169.9	80.2	-168.2	178.1	-161.8	-11.2	112.5	T194 E204 E205 F209	T194-R207 HydrophobicContact CG2-CB 3.71Å; E204-R207 WeakPolarHBondContact O-CB 3.37Å; E204-R207 WeakPolarHBondContact O-CD 3.39Å; E204-R207 WeakPolarHBondContact O-CG 3.5Å; E204-R207 PolarHBondContact O-N 3.25Å; E204-R207 IonicContact OE2-CZ 3.66Å; E204-R207 IonicContact OE2-NH1 3.68Å; E204-R207 PolarHBondContact OE2-NH1 3.36Å; E205-R207 PolarHBondContact O-N 3.48Å; R207-F209 VanDerWaalsContact C-N 3.34Å
208	H	89.9	Confident	81.6	Confident	42 Å²	42	54.6 Å²	54.6	19%	0.194	29%	0.291	C	S	.	.	G	3₁₀ helix	trans	-92.5	8.1	179	-65.4	-48.2	0	0	0	113.5	I174 K175 G177 V179 E205 L206 T210	I174-H208 HydrophobicContact CG2-CB 4.39Å; I174-H208 PolarHBondContact O-CD2 3.11Å; K175-H208 WeakPolarHBondContact O-CB 3.33Å; G177-H208 PolarHBondContact N-O 2Å; V179-H208 HydrophobicContact CG1-CB 4.05Å; E205-H208 WeakPolarHBondContact O-CB 3.49Å; E205-H208 PolarHBondContact O-N 3.11Å; E205-H208 VanDerWaalsContact O-N 3.08Å; L206-H208 PolarHBondContact O-N 3.03Å; L206-H208 VanDerWaalsContact O-N 3.09Å; H208-T210 PolarHBondContact O-N 2.81Å
209	F	93.2	Very high	83.8	Confident	7 Å²	7	60 Å²	60	3%	0.031	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61	128	179.8	-163.9	-78.5	0	0	0	111.9	C129 L139 I153 V179 L185 L190 L206 R207	C129-F209 HydrophobicContact CB-CE1 3.98Å; C129-F209 HydrophobicContact CB-CZ 4.28Å; L139-F209 HydrophobicContact CB-CE2 4.41Å; L139-F209 HydrophobicContact CB-CZ 4.43Å; L139-F209 HydrophobicContact CD2-CD2 3.67Å; L139-F209 HydrophobicContact CD2-CE2 3.81Å; L139-F209 HydrophobicContact CD2-CG 4.09Å; L139-F209 HydrophobicContact CD2-CZ 4.34Å; I153-F209 HydrophobicContact CG2-CE2 4.03Å; I153-F209 HydrophobicContact CG2-CZ 4.13Å; V179-F209 HydrophobicContact CG1-CB 4.49Å; V179-F209 HydrophobicContact CG2-CD2 3.93Å; V179-F209 HydrophobicContact CG2-CE2 4.45Å; V179-F209 WeakPolarHBondContact O-CA 3.3Å; L185-F209 HydrophobicContact CD1-CD1 3.8Å; L185-F209 HydrophobicContact CD1-CE1 4.35Å; L190-F209 HydrophobicContact CD2-CB 4.12Å; L206-F209 HydrophobicContact CD2-CD2 4.27Å; L206-F209 WeakPolarHBondContact O-CB 3.19Å; L206-F209 PolarHBondContact O-N 2.93Å; R207-F209 VanDerWaalsContact C-N 3.34Å
210	T	93.2	Very high	85.8	Confident	31 Å²	31	60.6 Å²	60.6	19%	0.19	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	143.2	179.9	53.3	0	0	0	0	111.2	V179 G180 G181 H208	V179-T210 PolarHBondContact O-N 3.09Å; V179-T210 PolarHBondContact O-OG1 3.11Å; V179-T210 VanDerWaalsContact O-OG1 3.13Å; G180-T210 WeakPolarHBondContact CA-O 3.34Å; G181-T210 PolarHBondContact N-O 3.2Å; G181-T210 VanDerWaalsContact N-O 3.15Å; H208-T210 PolarHBondContact O-N 2.81Å
211	S	93	Very high	87.7	Confident	43 Å²	43	57.3 Å²	57.3	30%	0.301	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	130.5	169.6	-176.5	0	0	0	0	110.1	G181 C183	G181-S211 CarbonylContact O-C 3.26Å; G181-S211 VanDerWaalsContact O-CA 3.26Å; G181-S211 WeakPolarHBondContact O-CA 3.39Å; C183-S211 PolarHBondContact N-OG 2.89Å; C183-S211 VanDerWaalsContact O-CB 3.3Å; C183-S211 WeakPolarHBondContact O-CB 3.19Å; C183-S211 PolarHBondContact O-OG 3.13Å
212	L	91.5	Very high	89.4	Confident	65 Å²	65	55.1 Å²	55.1	34%	0.34	29%	0.286	S	S	.	.			trans	-127.8	108.9	178.5	-65.9	178.1	0	0	0	109.7	F154 G181 K182 S214 F215	F154-L212 HydrophobicContact CE1-CD1 3.73Å; F154-L212 HydrophobicContact CZ-CD1 3.54Å; G181-L212 PolarHBondContact O-N 3.06Å; K182-L212 WeakPolarHBondContact CA-O 3.34Å; K182-L212 WeakPolarHBondContact CB-O 3.4Å; L212-S214 PolarHBondContact O-N 3.13Å; L212-F215 HydrophobicContact CB-CB 4.04Å; L212-F215 WeakPolarHBondContact O-CB 3.39Å; L212-F215 PolarHBondContact O-N 3.09Å; L212-F215 VanDerWaalsContact O-N 3.15Å
213	D	90	Very high	90.4	Very high	135 Å²	135	59.1 Å²	59.1	72%	0.722	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.1	-25.8	-178.8	-68.7	-34.5	0	0	0	113.6	K182 F215	K182-D213 WeakPolarHBondContact CD-O 3.45Å; K182-D213 WeakPolarHBondContact CE-O 3.43Å; D213-F215 VanDerWaalsContact C-N 3.32Å
214	S	89.4	Confident	90.9	Very high	84 Å²	84	61.1 Å²	61.1	59%	0.587	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.4	-14.2	177.8	55.9	0	0	0	0	113.8	L212 H221	L212-S214 PolarHBondContact O-N 3.13Å; S214-H221 PolarHBondContact O-NE2 3.32Å
215	F	92.9	Very high	91.8	Very high	7 Å²	7	61 Å²	61	3%	0.031	32%	0.32	C	S	.	.			trans	-68.2	134.5	-173.9	175.9	-102	0	0	0	112	N152 F154 K182 L212 D213 M217 H221	N152-F215 WeakPolarHBondContact O-CE1 3.29Å; F154-F215 HydrophobicContact CB-CE2 3.96Å; F154-F215 HydrophobicContact CB-CZ 4.12Å; F154-F215 HydrophobicContact CD1-CD1 4.47Å; F154-F215 AromaticContact CD1-CD2 3.57Å; F154-F215 HydrophobicContact CD1-CD2 3.57Å; F154-F215 HydrophobicContact CD1-CE1 4.37Å; F154-F215 AromaticContact CD1-CE2 3.46Å; F154-F215 HydrophobicContact CD1-CE2 3.46Å; F154-F215 VanDerWaalsContact CD1-CE2 3.46Å; F154-F215 HydrophobicContact CD1-CG 4.09Å; F154-F215 AromaticContact CD1-CZ 3.88Å; F154-F215 HydrophobicContact CD1-CZ 3.88Å; F154-F215 HydrophobicContact CE1-CD2 4.01Å; F154-F215 HydrophobicContact CE1-CE2 4.35Å; F154-F215 HydrophobicContact CE1-CG 4.31Å; F154-F215 HydrophobicContact CG-CD2 4.47Å; F154-F215 HydrophobicContact CG-CE2 4.03Å; F154-F215 HydrophobicContact CG-CZ 4.47Å; K182-F215 HydrophobicContact CB-CB 4.33Å; K182-F215 HydrophobicContact CB-CD1 4.33Å; K182-F215 WeakPolarHBondContact CD-O 3.4Å; L212-F215 HydrophobicContact CB-CB 4.04Å; L212-F215 WeakPolarHBondContact O-CB 3.39Å; L212-F215 PolarHBondContact O-N 3.09Å; L212-F215 VanDerWaalsContact O-N 3.15Å; D213-F215 VanDerWaalsContact C-N 3.32Å; F215-M217 HydrophobicContact CE1-CG 4.42Å; F215-M217 HydrophobicContact CZ-CG 4.44Å; F215-M217 HydrophobicContact CZ-SD 4.17Å; F215-H221 HydrophobicContact CD2-CB 4.3Å; F215-H221 HydrophobicContact CE2-CB 4.38Å
216	K	91.4	Very high	92.2	Very high	132 Å²	132	61.5 Å²	61.5	57%	0.574	32%	0.323	S	S	*	.			trans	-136.9	148.2	173	-67.1	-176.6	-179.4	179.5	0	109.9	D218 H221	K216-D218 WeakPolarHBondContact CB-OD2 3.23Å; K216-D218 PolarHBondContact O-N 3.38Å; K216-H221 WeakPolarHBondContact O-CB 3.47Å
217	M	91.6	Very high	92.5	Very high	27 Å²	27	66.9 Å²	66.9	13%	0.133	35%	0.348	C	S	.	.	S	Bend	trans	-76.5	75	172.2	-84.2	-67.1	-84.6	0	0	110.7	N152 F215 I225 C305 R307	N152-M217 HydrophobicContact CB-CG 3.88Å; F215-M217 HydrophobicContact CE1-CG 4.42Å; F215-M217 HydrophobicContact CZ-CG 4.44Å; F215-M217 HydrophobicContact CZ-SD 4.17Å; M217-I225 HydrophobicContact CE-CG2 3.65Å; M217-C305 HydrophobicContact CE-CB 4.21Å; M217-C305 HydrophobicContact SD-CB 3.5Å; M217-C305 WeakPolarHBondContact SD-CB 3.41Å; M217-R307 HydrophobicContact CE-CB 4.37Å; M217-R307 VanDerWaalsContact CE-CD 3.47Å; M217-R307 HydrophobicContact CE-CG 3.69Å
218	D	93.1	Very high	92.9	Very high	51 Å²	51	65.3 Å²	65.3	27%	0.273	34%	0.344	S	S	.	.	S	Bend	trans	-140.9	168.2	178.1	65.5	34.1	0	0	0	111.8	K216 A220 H221 C222	K216-D218 WeakPolarHBondContact CB-OD2 3.23Å; K216-D218 PolarHBondContact O-N 3.38Å; D218-A220 PolarHBondContact O-N 2.89Å; D218-A220 WeakPolarHBondContact OD1-CA 3.2Å; D218-A220 WeakPolarHBondContact OD1-CB 3.48Å; D218-A220 PolarHBondContact OD1-N 3.08Å; D218-H221 VanDerWaalsContact CG-ND1 3.31Å; D218-H221 PolarHBondContact O-N 3Å; D218-H221 IonicContact OD1-CE1 3.86Å; D218-H221 IonicContact OD1-CG 3.03Å; D218-H221 PolarHBondContact OD1-N 3.44Å; D218-H221 IonicContact OD1-ND1 3.32Å; D218-H221 PolarHBondContact OD1-ND1 3.25Å; D218-H221 IonicContact OD2-CE1 2.61Å; D218-H221 IonicContact OD2-ND1 3.14Å; D218-H221 PolarHBondContact OD2-ND1 3.15Å; D218-C222 VanDerWaalsContact O-CB 3.3Å; D218-C222 WeakPolarHBondContact O-CB 3.45Å; D218-C222 PolarHBondContact O-N 2.85Å; D218-C222 VanDerWaalsContact O-N 3.13Å
219	K	90.9	Very high	93.2	Very high	190 Å²	190	65.6 Å²	65.6	83%	0.826	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.7	-10	179.1	-66.2	-174.4	178	-178.6	0	113.8	I225	K219-I225 HydrophobicContact CG-CD1 4.29Å
220	A	91.6	Very high	93.4	Very high	88 Å²	88	65.3 Å²	65.3	73%	0.727	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.6	-28.9	175.9	0	0	0	0	0	111.4	D218	D218-A220 PolarHBondContact O-N 2.89Å; D218-A220 WeakPolarHBondContact OD1-CA 3.2Å; D218-A220 WeakPolarHBondContact OD1-CB 3.48Å; D218-A220 PolarHBondContact OD1-N 3.08Å
221	H	92.6	Very high	93.5	Very high	61 Å²	61	64.2 Å²	64.2	28%	0.282	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.4	-10	-178.9	-62.4	89.2	0	0	0	114	S214 F215 K216 D218 K303	S214-H221 PolarHBondContact O-NE2 3.32Å; F215-H221 HydrophobicContact CD2-CB 4.3Å; F215-H221 HydrophobicContact CE2-CB 4.38Å; K216-H221 WeakPolarHBondContact O-CB 3.47Å; D218-H221 VanDerWaalsContact CG-ND1 3.31Å; D218-H221 PolarHBondContact O-N 3Å; D218-H221 IonicContact OD1-CE1 3.86Å; D218-H221 IonicContact OD1-CG 3.03Å; D218-H221 PolarHBondContact OD1-N 3.44Å; D218-H221 IonicContact OD1-ND1 3.32Å; D218-H221 PolarHBondContact OD1-ND1 3.25Å; D218-H221 IonicContact OD2-CE1 2.61Å; D218-H221 IonicContact OD2-ND1 3.14Å; D218-H221 PolarHBondContact OD2-ND1 3.15Å; H221-K303 WeakPolarHBondContact O-CD 3.47Å; H221-K303 WeakPolarHBondContact O-CE 3.38Å; H221-K303 PolarHBondContact O-NZ 3.36Å
222	C	95.4	Very high	93.6	Very high	5 Å²	5	62.4 Å²	62.4	3%	0.034	33%	0.329	C	S	.	.			trans	-136.1	128.9	-172	-56.1	0	0	0	0	110.9	D218 I225 C305	D218-C222 VanDerWaalsContact O-CB 3.3Å; D218-C222 WeakPolarHBondContact O-CB 3.45Å; D218-C222 PolarHBondContact O-N 2.85Å; D218-C222 VanDerWaalsContact O-N 3.13Å; C222-I225 HydrophobicContact CB-CD1 4.19Å; C222-I225 HydrophobicContact CB-CG1 3.63Å; C222-C305 HydrophobicContact CB-CB 3.64Å; C222-C305 WeakPolarHBondContact CB-SG 3.16Å; C222-C305 WeakPolarHBondContact SG-CB 3.08Å; C222-C305 CovalentContact SG-SG 2.01Å; C222-C305 PolarHBondContact SG-SG 3.25Å
223	D	95	Very high	93.5	Very high	111 Å²	111	59.6 Å²	59.6	59%	0.594	31%	0.314	S	S	*	.	S	Bend	trans	-77.5	-38.2	174.5	-60.6	-46.5	0	0	0	111.1	K302 K303	D223-K302 HydrophobicContact CB-CB 4.12Å; D223-K302 HydrophobicContact CB-CG 4.5Å; D223-K302 WeakPolarHBondContact OD2-CA 3.37Å; D223-K303 PolarHBondContact N-O 2.74Å; D223-K303 PolarHBondContact OD2-N 3.11Å
224	I	94.7	Very high	93.5	Very high	46 Å²	46	54.3 Å²	54.3	24%	0.236	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	130.5	175.8	-60.4	176.7	0	0	0	107.6	L226 K302 K303 V304 C305	I224-L226 HydrophobicContact CG2-CD2 3.93Å; I224-L226 HydrophobicContact CG2-CG 4.17Å; I224-K302 HydrophobicContact CD1-CD 3.47Å; I224-K302 VanDerWaalsContact CD1-CD 3.47Å; I224-K302 HydrophobicContact CG1-CD 4.09Å; I224-K303 PolarHBondContact N-O 3Å; I224-V304 HydrophobicContact CB-CG1 4.31Å; I224-V304 HydrophobicContact CB-CG2 4.29Å; I224-V304 HydrophobicContact CD1-CG2 4.39Å; I224-V304 HydrophobicContact CG2-CG1 4.3Å; I224-V304 WeakPolarHBondContact O-CA 3.47Å; I224-C305 PolarHBondContact O-N 2.97Å
225	I	96.1	Very high	93.1	Very high	41 Å²	41	51.1 Å²	51.1	21%	0.21	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	113.7	172	-58.1	177	0	0	0	107.4	M217 K219 C222 E227 C305	M217-I225 HydrophobicContact CE-CG2 3.65Å; K219-I225 HydrophobicContact CG-CD1 4.29Å; C222-I225 HydrophobicContact CB-CD1 4.19Å; C222-I225 HydrophobicContact CB-CG1 3.63Å; I225-E227 HydrophobicContact CG2-CG 4.33Å; I225-E227 WeakPolarHBondContact CG2-OE1 3.49Å; I225-E227 PolarHBondContact O-N 3.35Å; I225-C305 WeakPolarHBondContact CA-O 3.41Å
226	L	95.4	Very high	92	Very high	17 Å²	17	51 Å²	51	9%	0.089	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	101.7	173.8	-63.1	178.2	0	0	0	108.4	I224 T230 I268 M294 V304 C305 F306 R307	I224-L226 HydrophobicContact CG2-CD2 3.93Å; I224-L226 HydrophobicContact CG2-CG 4.17Å; L226-T230 HydrophobicContact CD1-CG2 4.15Å; L226-I268 HydrophobicContact CD1-CD1 3.96Å; L226-M294 HydrophobicContact CD2-CE 4.2Å; L226-M294 HydrophobicContact CD2-SD 4.33Å; L226-V304 HydrophobicContact CD1-CG1 3.81Å; L226-V304 HydrophobicContact CG-CG1 4.06Å; L226-C305 PolarHBondContact N-O 2.82Å; L226-F306 HydrophobicContact CB-CD1 4.39Å; L226-F306 HydrophobicContact CD1-CD1 3.77Å; L226-F306 HydrophobicContact CD1-CE1 3.46Å; L226-F306 VanDerWaalsContact CD1-CE1 3.46Å; L226-F306 HydrophobicContact CD1-CZ 4.22Å; L226-R307 PolarHBondContact O-N 3.26Å; L226-R307 VanDerWaalsContact O-N 3.11Å
227	E	95.1	Very high	90.9	Very high	115 Å²	115	45 Å²	45	54%	0.537	24%	0.235	S	C	.	.			trans	-75.4	-32.8	179.9	-63	-67.4	176.6	0	0	112.1	I225 R307	I225-E227 HydrophobicContact CG2-CG 4.33Å; I225-E227 WeakPolarHBondContact CG2-OE1 3.49Å; I225-E227 PolarHBondContact O-N 3.35Å; E227-R307 IonicContact OE1-NE 3.2Å; E227-R307 IonicContact OE1-NH2 3.51Å; E227-R307 WeakPolarHBondContact OE2-CD 3.34Å; E227-R307 WeakPolarHBondContact OE2-CG 3.4Å; E227-R307 IonicContact OE2-CZ 3.81Å; E227-R307 IonicContact OE2-NE 3.77Å; E227-R307 PolarHBondContact OE2-NE 3.41Å; E227-R307 IonicContact OE2-NH2 2.74Å
228	K	94.7	Very high	89.6	Confident	73 Å²	73	44.1 Å²	44.1	32%	0.317	23%	0.234	S	C	.	.	S	Bend	trans	-75.7	147.9	176.1	-59.7	-173	-178.5	-171.4	0	111.1	T230 D264 N291	K228-T230 PolarHBondContact O-N 2.78Å; K228-T230 PolarHBondContact O-OG1 2.85Å; K228-D264 WeakPolarHBondContact CE-OD1 3.45Å; K228-D264 WeakPolarHBondContact CE-OD2 3.41Å; K228-D264 VanDerWaalsContact NZ-CG 3.34Å; K228-D264 IonicContact NZ-OD1 2.77Å; K228-D264 PolarHBondContact NZ-OD1 3.35Å; K228-D264 IonicContact NZ-OD2 3.26Å; K228-D264 PolarHBondContact NZ-OD2 2.89Å; K228-N291 PolarHBondContact NZ-OD1 3.09Å
229	P	96	Very high	88.3	Confident	48 Å²	48	47.3 Å²	47.3	31%	0.312	25%	0.25	S	C	.	.			trans	-54.9	131.4	171.4	-20.2	31	0	0	0	110.3	I265 N266 E308	P229-I265 HydrophobicContact CB-CG2 4.14Å; P229-I265 CarbonylContact O-C 3.55Å; P229-I265 WeakPolarHBondContact O-CA 3.49Å; P229-I265 WeakPolarHBondContact O-CB 3.34Å; P229-N266 PolarHBondContact O-N 3.2Å; P229-E308 HydrophobicContact CB-CB 4.33Å
230	T	97.2	Very high	86.9	Confident	1 Å²	1	39.4 Å²	39.4	1%	0.006	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	132.9	-172.9	-56.6	0	0	0	0	111.2	L226 K228 N266 I268 F306 E308 V309 M310	L226-T230 HydrophobicContact CD1-CG2 4.15Å; K228-T230 PolarHBondContact O-N 2.78Å; K228-T230 PolarHBondContact O-OG1 2.85Å; T230-N266 CarbonylContact C-O 3.39Å; T230-N266 VanDerWaalsContact CA-O 3.31Å; T230-N266 WeakPolarHBondContact CA-O 3.05Å; T230-N266 HydrophobicContact CG2-CB 3.85Å; T230-N266 WeakPolarHBondContact OG1-CB 3.15Å; T230-I268 HydrophobicContact CG2-CD1 3.74Å; T230-I268 HydrophobicContact CG2-CG1 3.78Å; T230-F306 HydrophobicContact CG2-CD1 4.03Å; T230-F306 HydrophobicContact CG2-CE1 3.79Å; T230-E308 PolarHBondContact N-O 3.41Å; T230-V309 CarbonylContact O-C 3.48Å; T230-V309 WeakPolarHBondContact O-CA 3.47Å; T230-M310 PolarHBondContact O-N 2.9Å
231	I	96.2	Very high	85.8	Confident	9 Å²	9	40 Å²	40	5%	0.046	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	127.6	175.4	-54	-173.2	0	0	0	108.4	I233 L251 I265 N266 I267 I268 M310 P312	I231-I233 HydrophobicContact CG2-CD1 4.07Å; I231-I233 HydrophobicContact CG2-CG1 3.65Å; I231-L251 HydrophobicContact CD1-CD1 3.86Å; I231-L251 HydrophobicContact CG2-CD1 3.93Å; I231-I265 HydrophobicContact CD1-CD1 3.29Å; I231-I265 HydrophobicContact CG1-CD1 3.93Å; I231-N266 PolarHBondContact N-O 2.7Å; I231-I267 HydrophobicContact CB-CG1 4.37Å; I231-I267 CarbonylContact O-C 3.51Å; I231-I267 WeakPolarHBondContact O-CA 3.03Å; I231-I268 PolarHBondContact O-N 2.66Å; I231-M310 CarbonylContact C-O 2.92Å; I231-M310 WeakPolarHBondContact CA-O 3.31Å; I231-M310 HydrophobicContact CB-CE 4.48Å; I231-M310 HydrophobicContact CD1-CE 3.57Å; I231-M310 HydrophobicContact CG1-CB 4.47Å; I231-M310 HydrophobicContact CG1-CE 3.91Å; I231-M310 HydrophobicContact CG2-CE 3.8Å; I231-P312 HydrophobicContact CG2-CG 3.9Å
232	V	94.4	Very high	84.6	Confident	4 Å²	4	38.6 Å²	38.6	2%	0.024	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	107.7	176.8	175.9	0	0	0	0	108.9	Y203 I268 W270 V309 M310 M311 P312	Y203-V232 PolarHBondContact OH-O 3.19Å; V232-I268 WeakPolarHBondContact CA-O 3.15Å; V232-I268 HydrophobicContact CG2-CB 4.43Å; V232-W270 HydrophobicContact CG1-CB 4.44Å; V232-W270 HydrophobicContact CG1-CD2 4.29Å; V232-W270 HydrophobicContact CG1-CE3 3.36Å; V232-W270 HydrophobicContact CG1-CZ3 3.93Å; V232-V309 HydrophobicContact CB-CG2 4.45Å; V232-V309 HydrophobicContact CG2-CG2 3.58Å; V232-M310 PolarHBondContact N-O 3.22Å; V232-M311 HydrophobicContact CB-CG 4.33Å; V232-P312 WeakPolarHBondContact O-CD 3.4Å
233	I	91	Very high	83.6	Confident	6 Å²	6	39.9 Å²	39.9	3%	0.031	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	117.2	-172.8	-57.1	-174.7	0	0	0	109.6	I231 L235 L251 I267 I268 I269 W270 W285 P312	I231-I233 HydrophobicContact CG2-CD1 4.07Å; I231-I233 HydrophobicContact CG2-CG1 3.65Å; I233-L235 HydrophobicContact CG2-CD2 3.93Å; I233-L251 HydrophobicContact CD1-CD2 3.99Å; I233-I267 HydrophobicContact CD1-CG2 3.53Å; I233-I267 HydrophobicContact CG1-CG2 4.01Å; I233-I268 PolarHBondContact N-O 2.95Å; I233-I269 HydrophobicContact CB-CD1 4.28Å; I233-W270 WeakPolarHBondContact O-CB 3.46Å; I233-W270 PolarHBondContact O-N 2.61Å; I233-W285 HydrophobicContact CD1-CE3 4.23Å; I233-W285 HydrophobicContact CD1-CH2 3.35Å; I233-W285 HydrophobicContact CD1-CZ3 3.16Å; I233-W285 HydrophobicContact CG2-CH2 4.08Å; I233-P312 HydrophobicContact CG1-CG 4.18Å
234	K	88	Confident	82.8	Confident	25 Å²	25	34.6 Å²	34.6	11%	0.109	18%	0.177	C	C	.	.			trans	-83.4	111.9	159.8	-66.5	-172.5	172.4	-164.5	0	107.6	R202 Y203 E205 W270 L314	R202-K234 PolarHBondContact O-NZ 3.14Å; Y203-K234 HydrophobicContact CE1-CG 4.38Å; E205-K234 WeakPolarHBondContact OE1-CE 3.05Å; E205-K234 IonicContact OE1-NZ 3.51Å; E205-K234 PolarHBondContact OE1-NZ 3.27Å; E205-K234 WeakPolarHBondContact OE2-CE 3.35Å; E205-K234 IonicContact OE2-NZ 3.94Å; E205-K234 PolarHBondContact OE2-NZ 3.33Å; K234-W270 HydrophobicContact CG-CB 3.91Å; K234-W270 HydrophobicContact CG-CG 3.98Å; K234-L314 HydrophobicContact CB-CD2 3.77Å; K234-L314 HydrophobicContact CD-CD1 4.49Å; K234-L314 WeakPolarHBondContact O-CD2 3.3Å
235	L	81.3	Confident	82	Confident	16 Å²	16	37.7 Å²	37.7	8%	0.084	19%	0.189	C	C	.	.			trans	-68.2	150.9	-179.9	-66.7	173.8	0	0	0	111	Y169 I233 I269 Y277 W285	Y169-L235 VanDerWaalsContact CE1-O 3.27Å; Y169-L235 WeakPolarHBondContact CE1-O 3.37Å; I233-L235 HydrophobicContact CG2-CD2 3.93Å; L235-I269 HydrophobicContact CD1-CG2 3.38Å; L235-I269 HydrophobicContact CD2-CD1 4.4Å; L235-I269 HydrophobicContact CG-CG2 3.79Å; L235-Y277 HydrophobicContact CD1-CD2 3.52Å; L235-Y277 HydrophobicContact CD1-CE2 3.25Å; L235-W285 HydrophobicContact CD2-CH2 4.22Å; L235-W285 HydrophobicContact CD2-CZ2 3.62Å
236	D	69.8	Low	81.2	Confident	4 Å²	4	35.9 Å²	35.9	2%	0.021	18%	0.18	C	C	.	.	S	Bend	trans	-70.5	-66	163.2	-173.7	-17.9	0	0	0	110.2	Y169 H243 D247 A315 R316 F323	Y169-D236 WeakPolarHBondContact CE1-O 3.42Å; Y169-D236 PolarHBondContact OH-O 3.16Å; D236-H243 HydrophobicContact CB-CB 4.29Å; D236-H243 VanDerWaalsContact CG-CD2 3.43Å; D236-H243 IonicContact OD1-CD2 2.88Å; D236-H243 PolarHBondContact OD1-CD2 3.09Å; D236-H243 IonicContact OD2-CD2 2.91Å; D236-D247 PolarHBondContact N-OD1 2.82Å; D236-D247 PolarHBondContact N-OD2 2.74Å; D236-A315 HydrophobicContact CB-CB 4.06Å; D236-R316 HydrophobicContact CB-CG 4.47Å; D236-R316 IonicContact OD1-CZ 2.72Å; D236-R316 IonicContact OD1-NE 2.71Å; D236-R316 PolarHBondContact OD1-NE 3.33Å; D236-R316 IonicContact OD1-NH2 2.97Å; D236-R316 PolarHBondContact OD1-NH2 3.36Å; D236-F323 WeakPolarHBondContact OD2-CD2 3.34Å; D236-F323 WeakPolarHBondContact OD2-CE2 3.44Å
237	A	68.9	Low	80.7	Confident	6 Å²	6	35.6 Å²	35.6	5%	0.05	18%	0.178	C	C	.	.			trans	-159.3	127.4	172.2	0	0	0	0	0	112.5	Y169 I239 H243	Y169-A237 WeakPolarHBondContact OH-CA 3.47Å; A237-I239 PolarHBondContact O-N 3.13Å; A237-H243 HydrophobicContact CB-CB 4.1Å; A237-H243 WeakPolarHBondContact O-CB 3.38Å
238	G	64.9	Low	80.4	Confident	10 Å²	10	31.6 Å²	31.6	10%	0.103	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.2	34.8	177.4	0	0	0	0	0	115.1	D279	G238-D279 VanDerWaalsContact C-OD2 3.28Å; G238-D279 WeakPolarHBondContact CA-OD2 3.44Å; G238-D279 VanDerWaalsContact O-CG 3.26Å; G238-D279 VanDerWaalsContact O-OD2 3.13Å
239	I	64.3	Low	80	Confident	118 Å²	118	29.7 Å²	29.7	61%	0.605	15%	0.152	S	C	*	.	T	Hydrogen-bonded Turn	trans	-111.4	-27	-173	-55	171.2	0	0	0	111.6	A237	A237-I239 PolarHBondContact O-N 3.13Å
240	S	63.1	Low	79.6	Confident	24 Å²	24	27.4 Å²	27.4	17%	0.168	14%	0.137	C	C	.	.	S	Bend	trans	-135.8	153.7	179.4	77.4	0	0	0	0	111.9	Y242 H243 H244	S240-Y242 PolarHBondContact O-N 2.84Å; S240-Y242 VanDerWaalsContact O-N 3.16Å; S240-H243 PolarHBondContact O-N 2.94Å; S240-H243 PolarHBondContact OG-ND1 2.84Å; S240-H244 PolarHBondContact O-CD2 2.81Å; S240-H244 PolarHBondContact O-N 3.24Å
241	M	67	Low	79.4	Confident	101 Å²	101	27.5 Å²	27.5	50%	0.498	14%	0.138	S	C	.	.	H	α-helix	trans	-60.1	-22.7	175.3	-166.8	173.8	66	0	0	112.9	H244 F245 F281	M241-H244 WeakPolarHBondContact O-CB 3.18Å; M241-F245 WeakPolarHBondContact O-CB 3.39Å; M241-F245 PolarHBondContact O-N 2.81Å; M241-F281 HydrophobicContact CB-CD1 3.98Å; M241-F281 HydrophobicContact CB-CD2 4.36Å; M241-F281 HydrophobicContact CB-CE1 3.69Å; M241-F281 HydrophobicContact CB-CE2 4.1Å; M241-F281 HydrophobicContact CB-CG 4.31Å; M241-F281 HydrophobicContact CB-CZ 3.75Å; M241-F281 HydrophobicContact CG-CD1 4.08Å; M241-F281 HydrophobicContact CG-CE1 4.1Å; M241-F281 VanDerWaalsContact N-CE2 3.3Å; M241-F281 HydrophobicContact SD-CD1 4.41Å; M241-F281 HydrophobicContact SD-CE1 4.18Å
242	Y	68.7	Low	79.2	Confident	31 Å²	31	29.6 Å²	29.6	12%	0.122	15%	0.145	C	C	.	.	H	α-helix	trans	-76.6	-43.2	-178.1	-82.4	-96.1	0	0	0	114.2	S240 H244 F245 C246 L372 M375 V384 E386	S240-Y242 PolarHBondContact O-N 2.84Å; S240-Y242 VanDerWaalsContact O-N 3.16Å; Y242-H244 PolarHBondContact O-N 2.85Å; Y242-F245 WeakPolarHBondContact O-CA 3.41Å; Y242-F245 WeakPolarHBondContact O-CB 2.86Å; Y242-F245 PolarHBondContact O-N 2.04Å; Y242-C246 PolarHBondContact O-N 3.12Å; Y242-C246 PolarHBondContact O-SG 2.77Å; Y242-C246 VanDerWaalsContact O-SG 3.38Å; Y242-L372 HydrophobicContact CD1-CD2 4.3Å; Y242-L372 HydrophobicContact CD2-CD2 3.29Å; Y242-L372 HydrophobicContact CE1-CD2 4.06Å; Y242-L372 HydrophobicContact CE2-CD2 3.01Å; Y242-L372 HydrophobicContact CE2-CG 4.45Å; Y242-L372 HydrophobicContact CG-CD2 3.94Å; Y242-L372 VanDerWaalsContact CZ-CD2 3.41Å; Y242-M375 HydrophobicContact CE2-SD 4.17Å; Y242-M375 WeakPolarHBondContact OH-CE 3.39Å; Y242-M375 PolarHBondContact OH-SD 3.33Å; Y242-V384 HydrophobicContact CE1-CG1 4.15Å; Y242-E386 WeakPolarHBondContact CB-OE2 3.44Å; Y242-E386 HydrophobicContact CD1-CB 3.93Å; Y242-E386 WeakPolarHBondContact CD1-OE2 3.05Å; Y242-E386 HydrophobicContact CE1-CB 4.39Å; Y242-E386 VanDerWaalsContact CG-OE2 3.25Å
243	H	73	Confident	79	Confident	31 Å²	31	29.7 Å²	29.7	14%	0.144	15%	0.147	C	C	.	.	H	α-helix	trans	-59.5	-40.6	172	-68	102.9	0	0	0	109.4	D236 A237 S240 F245 C246 D247	D236-H243 HydrophobicContact CB-CB 4.29Å; D236-H243 VanDerWaalsContact CG-CD2 3.43Å; D236-H243 IonicContact OD1-CD2 2.88Å; D236-H243 PolarHBondContact OD1-CD2 3.09Å; D236-H243 IonicContact OD2-CD2 2.91Å; A237-H243 HydrophobicContact CB-CB 4.1Å; A237-H243 WeakPolarHBondContact O-CB 3.38Å; S240-H243 PolarHBondContact O-N 2.94Å; S240-H243 PolarHBondContact OG-ND1 2.84Å; H243-F245 PolarHBondContact O-N 3.13Å; H243-C246 WeakPolarHBondContact O-CB 3.44Å; H243-C246 PolarHBondContact O-N 2.99Å; H243-D247 PolarHBondContact O-N 2.9Å
244	H	78.8	Confident	79.2	Confident	0 Å²	0	29.4 Å²	29.4	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-59.8	-42.5	169.3	-78.7	-55.7	0	0	0	113.3	S240 M241 Y242 C246 D247 F248 Y277 D279 W285	S240-H244 PolarHBondContact O-CD2 2.81Å; S240-H244 PolarHBondContact O-N 3.24Å; M241-H244 WeakPolarHBondContact O-CB 3.18Å; Y242-H244 PolarHBondContact O-N 2.85Å; H244-C246 VanDerWaalsContact C-N 3.3Å; H244-C246 PolarHBondContact O-N 3.09Å; H244-D247 CarbonylContact O-C 3.55Å; H244-D247 WeakPolarHBondContact O-CB 3.29Å; H244-D247 PolarHBondContact O-N 3.38Å; H244-D247 VanDerWaalsContact O-N 3.17Å; H244-F248 HydrophobicContact CB-CD2 4.3Å; H244-F248 HydrophobicContact CB-CE1 4.43Å; H244-F248 HydrophobicContact CB-CE2 3.71Å; H244-F248 HydrophobicContact CB-CZ 3.77Å; H244-F248 AromaticContact ND1-CZ 3.99Å; H244-F248 VanDerWaalsContact O-CB 3.32Å; H244-F248 WeakPolarHBondContact O-CB 3.42Å; H244-F248 WeakPolarHBondContact O-CD1 3.1Å; H244-F248 WeakPolarHBondContact O-CD2 3.42Å; H244-F248 WeakPolarHBondContact O-CG 3.33Å; H244-F248 PolarHBondContact O-N 2.77Å; H244-Y277 PolarHBondContact CE1-OH 3.19Å; H244-D279 IonicContact CD2-OD2 3.37Å; H244-D279 IonicContact CE1-OD2 3.9Å; H244-D279 PolarHBondContact CE1-OD2 3.42Å; H244-D279 IonicContact NE2-OD1 2.77Å; H244-D279 PolarHBondContact NE2-OD1 2.88Å; H244-D279 IonicContact NE2-OD2 2.87Å; H244-D279 PolarHBondContact NE2-OD2 3.36Å; H244-W285 AromaticContact CE1-NE1 3.84Å; H244-W285 AromaticContact ND1-CZ2 3.93Å; H244-W285 AromaticContact ND1-NE1 3.98Å
245	F	78.4	Confident	79.4	Confident	111 Å²	111	28.8 Å²	28.8	49%	0.487	14%	0.143	S	C	.	.	H	α-helix	trans	-60.5	-41.3	176.8	-174.3	-107.2	0	0	0	111.9	M241 Y242 H243 F248 I249	M241-F245 WeakPolarHBondContact O-CB 3.39Å; M241-F245 PolarHBondContact O-N 2.81Å; Y242-F245 WeakPolarHBondContact O-CA 3.41Å; Y242-F245 WeakPolarHBondContact O-CB 2.86Å; Y242-F245 PolarHBondContact O-N 2.04Å; H243-F245 PolarHBondContact O-N 3.13Å; F245-F248 PolarHBondContact O-N 3.22Å; F245-I249 HydrophobicContact CD1-CD1 3.71Å; F245-I249 HydrophobicContact CD1-CG1 4.49Å; F245-I249 HydrophobicContact CE1-CD1 3.2Å; F245-I249 HydrophobicContact CE1-CG1 4.22Å; F245-I249 HydrophobicContact CE2-CD1 4.19Å; F245-I249 HydrophobicContact CE2-CG1 4.47Å; F245-I249 HydrophobicContact CG-CD1 4.41Å; F245-I249 HydrophobicContact CZ-CD1 3.48Å; F245-I249 VanDerWaalsContact CZ-CD1 3.48Å; F245-I249 HydrophobicContact CZ-CG1 4.21Å; F245-I249 WeakPolarHBondContact O-CG1 3.38Å; F245-I249 PolarHBondContact O-N 2.92Å
246	C	78.4	Confident	80	Confident	4 Å²	4	28 Å²	28	3%	0.027	14%	0.139	C	C	.	.	H	α-helix	trans	-63.2	-44.5	173.5	-63.4	0	0	0	0	111.3	Y242 H243 H244 F248 N250 A315	Y242-C246 PolarHBondContact O-N 3.12Å; Y242-C246 PolarHBondContact O-SG 2.77Å; Y242-C246 VanDerWaalsContact O-SG 3.38Å; H243-C246 WeakPolarHBondContact O-CB 3.44Å; H243-C246 PolarHBondContact O-N 2.99Å; H244-C246 VanDerWaalsContact C-N 3.3Å; H244-C246 PolarHBondContact O-N 3.09Å; C246-F248 VanDerWaalsContact C-N 3.32Å; C246-F248 PolarHBondContact O-N 3.16Å; C246-N250 PolarHBondContact O-N 3.19Å; C246-N250 VanDerWaalsContact O-N 3.15Å; C246-N250 PolarHBondContact O-ND2 3.22Å; C246-A315 HydrophobicContact CB-CB 3.7Å
247	D	85	Confident	81.1	Confident	10 Å²	10	28.3 Å²	28.3	5%	0.053	14%	0.141	C	C	.	.	H	α-helix	trans	-60.7	-41.6	175.2	-71.7	-29.6	0	0	0	111.2	D236 H243 H244 N250 L251	D236-D247 PolarHBondContact N-OD1 2.82Å; D236-D247 PolarHBondContact N-OD2 2.74Å; H243-D247 PolarHBondContact O-N 2.9Å; H244-D247 CarbonylContact O-C 3.55Å; H244-D247 WeakPolarHBondContact O-CB 3.29Å; H244-D247 PolarHBondContact O-N 3.38Å; H244-D247 VanDerWaalsContact O-N 3.17Å; D247-N250 PolarHBondContact O-N 3.01Å; D247-L251 WeakPolarHBondContact O-CB 3.45Å; D247-L251 PolarHBondContact O-N 2.86Å
248	F	88.4	Confident	82.1	Confident	31 Å²	31	30.7 Å²	30.7	14%	0.136	15%	0.152	C	C	.	.	H	α-helix	trans	-69.6	-41.1	-179.2	-64.4	-19.3	0	0	0	113.2	H244 F245 C246 L251 Y252 T284 W285 F288	H244-F248 HydrophobicContact CB-CD2 4.3Å; H244-F248 HydrophobicContact CB-CE1 4.43Å; H244-F248 HydrophobicContact CB-CE2 3.71Å; H244-F248 HydrophobicContact CB-CZ 3.77Å; H244-F248 AromaticContact ND1-CZ 3.99Å; H244-F248 VanDerWaalsContact O-CB 3.32Å; H244-F248 WeakPolarHBondContact O-CB 3.42Å; H244-F248 WeakPolarHBondContact O-CD1 3.1Å; H244-F248 WeakPolarHBondContact O-CD2 3.42Å; H244-F248 WeakPolarHBondContact O-CG 3.33Å; H244-F248 PolarHBondContact O-N 2.77Å; F245-F248 PolarHBondContact O-N 3.22Å; C246-F248 VanDerWaalsContact C-N 3.32Å; C246-F248 PolarHBondContact O-N 3.16Å; F248-L251 PolarHBondContact O-N 3.49Å; F248-Y252 VanDerWaalsContact O-CB 3.25Å; F248-Y252 WeakPolarHBondContact O-CB 3.45Å; F248-Y252 PolarHBondContact O-N 3.38Å; F248-T284 WeakPolarHBondContact CZ-OG1 3.47Å; F248-W285 HydrophobicContact CD1-CH2 4.15Å; F248-W285 HydrophobicContact CD1-CZ3 4.17Å; F248-W285 AromaticContact CE1-CD2 3.89Å; F248-W285 HydrophobicContact CE1-CD2 3.89Å; F248-W285 AromaticContact CE1-CE2 3.82Å; F248-W285 AromaticContact CE1-CE3 3.85Å; F248-W285 HydrophobicContact CE1-CE3 3.85Å; F248-W285 AromaticContact CE1-CH2 3.66Å; F248-W285 HydrophobicContact CE1-CH2 3.66Å; F248-W285 AromaticContact CE1-CZ2 3.71Å; F248-W285 HydrophobicContact CE1-CZ2 3.71Å; F248-W285 AromaticContact CE1-CZ3 3.73Å; F248-W285 HydrophobicContact CE1-CZ3 3.73Å; F248-W285 HydrophobicContact CZ-CD2 4.43Å; F248-W285 HydrophobicContact CZ-CZ2 4.49Å; F248-F288 HydrophobicContact CB-CE2 3.89Å; F248-F288 HydrophobicContact CB-CZ 3.76Å; F248-F288 HydrophobicContact CD1-CD2 4.08Å; F248-F288 AromaticContact CD1-CE2 3.34Å; F248-F288 HydrophobicContact CD1-CE2 3.34Å; F248-F288 HydrophobicContact CD1-CZ 4.02Å; F248-F288 HydrophobicContact CD2-CE2 4.26Å; F248-F288 HydrophobicContact CE1-CD2 4.31Å; F248-F288 AromaticContact CE1-CE2 3.92Å; F248-F288 HydrophobicContact CE1-CE2 3.92Å; F248-F288 AromaticContact CG-CE2 3.55Å; F248-F288 HydrophobicContact CG-CE2 3.55Å; F248-F288 AromaticContact CG-CZ 3.98Å; F248-F288 HydrophobicContact CG-CZ 3.98Å
249	I	86.7	Confident	83.1	Confident	33 Å²	33	30.4 Å²	30.4	17%	0.169	15%	0.15	C	C	.	.	H	α-helix	trans	-63.4	-45.4	175.2	-73.2	175.5	0	0	0	110.4	F245 Y252 A253 L321 Y322	F245-I249 HydrophobicContact CD1-CD1 3.71Å; F245-I249 HydrophobicContact CD1-CG1 4.49Å; F245-I249 HydrophobicContact CE1-CD1 3.2Å; F245-I249 HydrophobicContact CE1-CG1 4.22Å; F245-I249 HydrophobicContact CE2-CD1 4.19Å; F245-I249 HydrophobicContact CE2-CG1 4.47Å; F245-I249 HydrophobicContact CG-CD1 4.41Å; F245-I249 HydrophobicContact CZ-CD1 3.48Å; F245-I249 VanDerWaalsContact CZ-CD1 3.48Å; F245-I249 HydrophobicContact CZ-CG1 4.21Å; F245-I249 WeakPolarHBondContact O-CG1 3.38Å; F245-I249 PolarHBondContact O-N 2.92Å; I249-Y252 PolarHBondContact O-N 2.67Å; I249-A253 WeakPolarHBondContact O-CB 3.27Å; I249-A253 PolarHBondContact O-N 3.26Å; I249-L321 HydrophobicContact CG2-CB 4.27Å; I249-L321 HydrophobicContact CG2-CD1 4.3Å; I249-Y322 HydrophobicContact CD1-CD2 3.66Å; I249-Y322 HydrophobicContact CD1-CE2 3.71Å; I249-Y322 HydrophobicContact CD1-CG 4.34Å; I249-Y322 HydrophobicContact CG2-CD2 3.83Å; I249-Y322 HydrophobicContact CG2-CE2 3.83Å
250	N	88.4	Confident	84.3	Confident	0 Å²	0	26.7 Å²	26.7	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-70.5	-34.8	-179.3	-73.7	-73.5	0	0	0	111.5	C246 D247 A253 S254 L313	C246-N250 PolarHBondContact O-N 3.19Å; C246-N250 VanDerWaalsContact O-N 3.15Å; C246-N250 PolarHBondContact O-ND2 3.22Å; D247-N250 PolarHBondContact O-N 3.01Å; N250-A253 PolarHBondContact O-N 2.68Å; N250-S254 WeakPolarHBondContact O-CB 3.25Å; N250-S254 PolarHBondContact O-N 3.49Å; N250-S254 PolarHBondContact O-OG 3Å; N250-L313 HydrophobicContact CB-CB 4.14Å; N250-L313 WeakPolarHBondContact CB-O 3.46Å
251	L	91.9	Very high	85.6	Confident	3 Å²	3	25.7 Å²	25.7	2%	0.016	13%	0.127	C	C	.	.	H	α-helix	trans	-62.6	-46.2	170.5	177.7	57.9	0	0	0	111.6	I231 I233 D247 F248 A253 S254 Q255 W285 F288 M310 P312	I231-L251 HydrophobicContact CD1-CD1 3.86Å; I231-L251 HydrophobicContact CG2-CD1 3.93Å; I233-L251 HydrophobicContact CD1-CD2 3.99Å; D247-L251 WeakPolarHBondContact O-CB 3.45Å; D247-L251 PolarHBondContact O-N 2.86Å; F248-L251 PolarHBondContact O-N 3.49Å; L251-A253 PolarHBondContact O-N 3.08Å; L251-S254 CarbonylContact O-C 3.59Å; L251-S254 WeakPolarHBondContact O-CA 3.4Å; L251-S254 VanDerWaalsContact O-CB 3.27Å; L251-S254 WeakPolarHBondContact O-CB 3.43Å; L251-S254 PolarHBondContact O-N 2.64Å; L251-Q255 PolarHBondContact O-N 3.43Å; L251-W285 HydrophobicContact CD2-CZ3 3.85Å; L251-F288 HydrophobicContact CD2-CB 4.2Å; L251-F288 HydrophobicContact CD2-CD1 3.55Å; L251-F288 HydrophobicContact CD2-CD2 3.99Å; L251-F288 HydrophobicContact CD2-CE1 3.85Å; L251-F288 HydrophobicContact CD2-CE2 4.28Å; L251-F288 HydrophobicContact CD2-CG 3.63Å; L251-F288 HydrophobicContact CD2-CZ 4.2Å; L251-F288 HydrophobicContact CG-CD1 4Å; L251-F288 HydrophobicContact CG-CE1 4.03Å; L251-M310 HydrophobicContact CD1-CE 3.86Å; L251-P312 HydrophobicContact CD1-CB 4.04Å; L251-P312 HydrophobicContact CD1-CG 4.21Å
252	Y	92.4	Very high	86.7	Confident	53 Å²	53	22.7 Å²	22.7	21%	0.208	11%	0.113	C	C	.	.	H	α-helix	trans	-61.2	-45.3	176.6	-179	-105.4	0	0	0	111.6	L33 H37 F115 F248 I249 S254 Q255 H256 F261	L33-Y252 HydrophobicContact CD2-CE2 3.89Å; H37-Y252 PolarHBondContact CE1-OH 3.01Å; H37-Y252 AromaticContact ND1-CZ 3.9Å; H37-Y252 PolarHBondContact ND1-OH 2.87Å; F115-Y252 HydrophobicContact CE1-CE1 4.44Å; F115-Y252 HydrophobicContact CZ-CE1 4.49Å; F248-Y252 VanDerWaalsContact O-CB 3.25Å; F248-Y252 WeakPolarHBondContact O-CB 3.45Å; F248-Y252 PolarHBondContact O-N 3.38Å; I249-Y252 PolarHBondContact O-N 2.67Å; Y252-S254 PolarHBondContact O-N 3.17Å; Y252-Q255 WeakPolarHBondContact O-CB 3.11Å; Y252-Q255 PolarHBondContact O-N 3.47Å; Y252-Q255 VanDerWaalsContact O-N 3.15Å; Y252-H256 AromaticContact CE1-CD2 3.68Å; Y252-H256 AromaticContact CE1-NE2 3.3Å; Y252-H256 VanDerWaalsContact CE1-NE2 3.3Å; Y252-H256 WeakPolarHBondContact CE1-NE2 3.11Å; Y252-H256 AromaticContact CZ-CD2 3.88Å; Y252-H256 AromaticContact CZ-NE2 3.22Å; Y252-H256 PolarHBondContact O-CD2 3.17Å; Y252-H256 PolarHBondContact O-N 3.46Å; Y252-H256 VanDerWaalsContact O-N 3.11Å; Y252-H256 PolarHBondContact OH-NE2 3.01Å; Y252-H256 VanDerWaalsContact OH-NE2 3.12Å; Y252-F261 HydrophobicContact CD2-CD1 4.39Å; Y252-F261 AromaticContact CD2-CE1 3.96Å; Y252-F261 HydrophobicContact CD2-CE1 3.96Å; Y252-F261 HydrophobicContact CE2-CD1 4.08Å; Y252-F261 AromaticContact CE2-CE1 3.58Å; Y252-F261 HydrophobicContact CE2-CE1 3.58Å
253	A	91.4	Very high	87.7	Confident	7 Å²	7	22.3 Å²	22.3	6%	0.058	11%	0.112	C	C	.	.	H	α-helix	trans	-59.6	-33.5	172.5	0	0	0	0	0	112.3	I118 I249 N250 L251 H256 L257 L313 L321	I118-A253 HydrophobicContact CG1-CB 4.46Å; I249-A253 WeakPolarHBondContact O-CB 3.27Å; I249-A253 PolarHBondContact O-N 3.26Å; N250-A253 PolarHBondContact O-N 2.68Å; L251-A253 PolarHBondContact O-N 3.08Å; A253-H256 WeakPolarHBondContact O-CB 3.34Å; A253-H256 PolarHBondContact O-N 3.43Å; A253-L257 PolarHBondContact O-N 2.91Å; A253-L313 HydrophobicContact CB-CD1 4.11Å; A253-L321 HydrophobicContact CB-CD1 4.22Å
254	S	93.9	Very high	88.7	Confident	0 Å²	0	23.7 Å²	23.7	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-73.2	-35	175.7	-57.4	0	0	0	0	113	N250 L251 Y252 H256 L257 N258 P312 L313	N250-S254 WeakPolarHBondContact O-CB 3.25Å; N250-S254 PolarHBondContact O-N 3.49Å; N250-S254 PolarHBondContact O-OG 3Å; L251-S254 CarbonylContact O-C 3.59Å; L251-S254 WeakPolarHBondContact O-CA 3.4Å; L251-S254 VanDerWaalsContact O-CB 3.27Å; L251-S254 WeakPolarHBondContact O-CB 3.43Å; L251-S254 PolarHBondContact O-N 2.64Å; Y252-S254 PolarHBondContact O-N 3.17Å; S254-H256 PolarHBondContact O-N 3Å; S254-L257 WeakPolarHBondContact O-CA 3.43Å; S254-L257 WeakPolarHBondContact O-CB 3.37Å; S254-L257 PolarHBondContact O-N 3.13Å; S254-N258 PolarHBondContact O-N 2.64Å; S254-P312 WeakPolarHBondContact OG-CA 3.22Å; S254-P312 VanDerWaalsContact OG-CB 3.29Å; S254-P312 WeakPolarHBondContact OG-CB 3.5Å; S254-L313 WeakPolarHBondContact OG-CB 3.41Å; S254-L313 WeakPolarHBondContact OG-CG 3.36Å; S254-L313 PolarHBondContact OG-N 3.03Å
255	Q	93.7	Very high	89.4	Confident	11 Å²	11	24.2 Å²	24.2	5%	0.051	12%	0.123	C	C	.	.	H	α-helix	trans	-61.7	-33.3	170	-71.4	177.5	-52.4	0	0	110.9	L251 Y252 N258 G259 S260 F261	L251-Q255 PolarHBondContact O-N 3.43Å; Y252-Q255 WeakPolarHBondContact O-CB 3.11Å; Y252-Q255 PolarHBondContact O-N 3.47Å; Y252-Q255 VanDerWaalsContact O-N 3.15Å; Q255-N258 PolarHBondContact O-N 3.12Å; Q255-G259 WeakPolarHBondContact O-CA 3.21Å; Q255-G259 PolarHBondContact O-N 2.95Å; Q255-S260 WeakPolarHBondContact CB-O 2.94Å; Q255-F261 HydrophobicContact CB-CD1 3.65Å; Q255-F261 HydrophobicContact CB-CE1 3.47Å; Q255-F261 VanDerWaalsContact CB-CE1 3.47Å; Q255-F261 HydrophobicContact CB-CG 4.48Å; Q255-F261 HydrophobicContact CB-CZ 4.17Å; Q255-F261 HydrophobicContact CG-CD1 4.34Å
256	H	93.3	Very high	90.2	Very high	1 Å²	1	19.7 Å²	19.7	1%	0.005	10%	0.104	C	C	.	.	H	α-helix	trans	-66.5	-32.9	168.4	-78.9	-85.7	0	0	0	113.4	R44 W71 Y73 F115 I118 Y252 A253 S254 F261	R44-H256 PolarHBondContact NH1-O 3.12Å; R44-H256 PolarHBondContact NH2-O 2.86Å; W71-H256 AromaticContact CD2-CE1 3.89Å; W71-H256 AromaticContact CE2-CE1 3.61Å; W71-H256 AromaticContact CZ2-CE1 3.71Å; Y73-H256 AromaticContact CE1-ND1 3.53Å; Y73-H256 AromaticContact CZ-ND1 3.55Å; Y73-H256 PolarHBondContact OH-ND1 3.22Å; F115-H256 AromaticContact CE1-CD2 3.99Å; F115-H256 AromaticContact CE1-CE1 3.57Å; F115-H256 AromaticContact CE1-NE2 3.43Å; F115-H256 WeakPolarHBondContact CE1-NE2 3.37Å; I118-H256 HydrophobicContact CD1-CB 3.45Å; I118-H256 VanDerWaalsContact CD1-CB 3.45Å; I118-H256 HydrophobicContact CG1-CB 4.13Å; I118-H256 HydrophobicContact CG2-CB 4.1Å; Y252-H256 AromaticContact CE1-CD2 3.68Å; Y252-H256 AromaticContact CE1-NE2 3.3Å; Y252-H256 VanDerWaalsContact CE1-NE2 3.3Å; Y252-H256 WeakPolarHBondContact CE1-NE2 3.11Å; Y252-H256 AromaticContact CZ-CD2 3.88Å; Y252-H256 AromaticContact CZ-NE2 3.22Å; Y252-H256 PolarHBondContact O-CD2 3.17Å; Y252-H256 PolarHBondContact O-N 3.46Å; Y252-H256 VanDerWaalsContact O-N 3.11Å; Y252-H256 PolarHBondContact OH-NE2 3.01Å; Y252-H256 VanDerWaalsContact OH-NE2 3.12Å; A253-H256 WeakPolarHBondContact O-CB 3.34Å; A253-H256 PolarHBondContact O-N 3.43Å; S254-H256 PolarHBondContact O-N 3Å; H256-F261 AromaticContact CD2-CE1 3.99Å; H256-F261 AromaticContact CD2-CZ 3.71Å; H256-F261 AromaticContact CE1-CZ 3.72Å; H256-F261 AromaticContact CG-CZ 3.82Å; H256-F261 AromaticContact ND1-CZ 3.84Å; H256-F261 AromaticContact NE2-CZ 3.64Å
257	L	91.8	Very high	91	Very high	10 Å²	10	19.5 Å²	19.5	5%	0.052	10%	0.103	C	C	.	.	H	α-helix	trans	-67.5	-47.4	173.2	-69.6	169.8	0	0	0	111.1	I118 R121 K122 Y147 A253 S254 L313	I118-L257 HydrophobicContact CG2-CD2 3.79Å; I118-L257 HydrophobicContact CG2-CG 4.24Å; R121-L257 HydrophobicContact CB-CD1 4.42Å; R121-L257 HydrophobicContact CB-CD2 4.3Å; K122-L257 HydrophobicContact CB-CD2 3.87Å; Y147-L257 HydrophobicContact CD1-CB 4.38Å; Y147-L257 HydrophobicContact CD1-CD1 3.91Å; Y147-L257 HydrophobicContact CD2-CB 4.38Å; Y147-L257 HydrophobicContact CD2-CD1 3.76Å; Y147-L257 HydrophobicContact CE1-CB 3.92Å; Y147-L257 HydrophobicContact CE1-CD1 4.3Å; Y147-L257 HydrophobicContact CE2-CB 3.91Å; Y147-L257 HydrophobicContact CE2-CD1 4.16Å; Y147-L257 HydrophobicContact CG-CD1 3.61Å; A253-L257 PolarHBondContact O-N 2.91Å; S254-L257 WeakPolarHBondContact O-CA 3.43Å; S254-L257 WeakPolarHBondContact O-CB 3.37Å; S254-L257 PolarHBondContact O-N 3.13Å; L257-L313 HydrophobicContact CD1-CD1 4.15Å; L257-L313 HydrophobicContact CD1-CD2 4.49Å; L257-L313 HydrophobicContact CD1-CG 4.27Å
258	N	89.9	Confident	91.5	Very high	55 Å²	55	19.1 Å²	19.1	29%	0.294	10%	0.1	S	C	.	.	H	α-helix	trans	-65.3	-43.4	178.9	-170.8	13.9	0	0	0	112.7	Y147 S254 Q255 M310	Y147-N258 PolarHBondContact OH-N 3.12Å; S254-N258 PolarHBondContact O-N 2.64Å; Q255-N258 PolarHBondContact O-N 3.12Å; N258-M310 HydrophobicContact CB-SD 3.72Å
259	G	87.6	Confident	91.6	Very high	5 Å²	5	17.6 Å²	17.6	5%	0.052	9%	0.094	C	C	.	.	T	Hydrogen-bonded Turn	trans	89.2	14.3	-176.4	0	0	0	0	0	115.3	R45 Q255	R45-G259 PolarHBondContact NH1-O 3.04Å; Q255-G259 WeakPolarHBondContact O-CA 3.21Å; Q255-G259 PolarHBondContact O-N 2.95Å
260	S	88	Confident	91.7	Very high	39 Å²	39	16.7 Å²	16.7	27%	0.273	9%	0.088	S	C	.	.			trans	-123.2	138.4	174.6	-174.7	0	0	0	0	111	Q255 D262	Q255-S260 WeakPolarHBondContact CB-O 2.94Å; S260-D262 PolarHBondContact OG-N 3.5Å
261	F	91.3	Very high	91.6	Very high	4 Å²	4	17.1 Å²	17.1	2%	0.018	9%	0.091	C	C	.	.			trans	-126.1	22.9	175.6	-60.4	-87.6	0	0	0	111.1	F31 N32 L33 Y41 Y252 Q255 H256	F31-F261 WeakPolarHBondContact CA-O 3.46Å; F31-F261 HydrophobicContact CB-CB 4.2Å; N32-F261 PolarHBondContact N-O 3.25Å; L33-F261 HydrophobicContact CD1-CB 4.38Å; L33-F261 HydrophobicContact CD1-CD2 3.95Å; L33-F261 HydrophobicContact CD1-CE2 4.41Å; L33-F261 HydrophobicContact CD1-CG 4.11Å; L33-F261 HydrophobicContact CD2-CB 4.25Å; L33-F261 HydrophobicContact CD2-CD1 3.63Å; L33-F261 HydrophobicContact CD2-CD2 4.31Å; L33-F261 HydrophobicContact CD2-CE1 3.98Å; L33-F261 HydrophobicContact CD2-CG 3.81Å; L33-F261 HydrophobicContact CD2-CZ 4.46Å; L33-F261 HydrophobicContact CG-CB 4.12Å; L33-F261 HydrophobicContact CG-CD1 4.39Å; L33-F261 HydrophobicContact CG-CD2 4.43Å; L33-F261 HydrophobicContact CG-CG 4.08Å; Y41-F261 AromaticContact CD2-CD2 3.64Å; Y41-F261 HydrophobicContact CD2-CD2 3.64Å; Y41-F261 AromaticContact CD2-CE2 3.66Å; Y41-F261 HydrophobicContact CD2-CE2 3.66Å; Y41-F261 AromaticContact CE2-CD2 3.49Å; Y41-F261 HydrophobicContact CE2-CD2 3.49Å; Y41-F261 VanDerWaalsContact CE2-CD2 3.49Å; Y41-F261 AromaticContact CE2-CE2 3.83Å; Y41-F261 HydrophobicContact CE2-CE2 3.83Å; Y252-F261 HydrophobicContact CD2-CD1 4.39Å; Y252-F261 AromaticContact CD2-CE1 3.96Å; Y252-F261 HydrophobicContact CD2-CE1 3.96Å; Y252-F261 HydrophobicContact CE2-CD1 4.08Å; Y252-F261 AromaticContact CE2-CE1 3.58Å; Y252-F261 HydrophobicContact CE2-CE1 3.58Å; Q255-F261 HydrophobicContact CB-CD1 3.65Å; Q255-F261 HydrophobicContact CB-CE1 3.47Å; Q255-F261 VanDerWaalsContact CB-CE1 3.47Å; Q255-F261 HydrophobicContact CB-CG 4.48Å; Q255-F261 HydrophobicContact CB-CZ 4.17Å; Q255-F261 HydrophobicContact CG-CD1 4.34Å; H256-F261 AromaticContact CD2-CE1 3.99Å; H256-F261 AromaticContact CD2-CZ 3.71Å; H256-F261 AromaticContact CE1-CZ 3.72Å; H256-F261 AromaticContact CG-CZ 3.82Å; H256-F261 AromaticContact ND1-CZ 3.84Å; H256-F261 AromaticContact NE2-CZ 3.64Å
262	D	89.2	Confident	91.2	Very high	38 Å²	38	17 Å²	17	20%	0.203	9%	0.09	C	C	.	.	B	Isolated β-bridge	trans	-65.1	144.7	175	-175.4	10.1	0	0	0	110.3	S30 S260 D264	S30-D262 PolarHBondContact OG-OD1 3.1Å; S260-D262 PolarHBondContact OG-N 3.5Å; D262-D264 PolarHBondContact OD1-N 3.42Å
263	Q	90.4	Very high	90.7	Very high	22 Å²	22	16 Å²	16	10%	0.103	9%	0.087	C	C	.	.	S	Bend	trans	-93.9	-10.4	174.2	-57.6	-173.9	-55.7	0	0	112.9	N32 I265 K286 A287 F288 T289 R290	N32-Q263 VanDerWaalsContact CB-CD 3.47Å; N32-Q263 HydrophobicContact CB-CG 3.65Å; N32-Q263 PolarHBondContact ND2-NE2 2.04Å; Q263-I265 PolarHBondContact O-N 3.41Å; Q263-K286 PolarHBondContact NE2-O 3.5Å; Q263-A287 PolarHBondContact NE2-O 3.31Å; Q263-F288 WeakPolarHBondContact CA-O 3.44Å; Q263-T289 WeakPolarHBondContact O-CA 3.46Å; Q263-R290 HydrophobicContact CB-CG 3.9Å; Q263-R290 PolarHBondContact O-N 3.22Å
264	D	92.7	Very high	89.9	Confident	61 Å²	61	18.1 Å²	18.1	33%	0.326	9%	0.094	S	C	.	.			trans	-79.8	48.9	173.1	-161.5	29.2	0	0	0	113.2	K228 D262 N291	K228-D264 WeakPolarHBondContact CE-OD1 3.45Å; K228-D264 WeakPolarHBondContact CE-OD2 3.41Å; K228-D264 VanDerWaalsContact NZ-CG 3.34Å; K228-D264 IonicContact NZ-OD1 2.77Å; K228-D264 PolarHBondContact NZ-OD1 3.35Å; K228-D264 IonicContact NZ-OD2 3.26Å; K228-D264 PolarHBondContact NZ-OD2 2.89Å; D262-D264 PolarHBondContact OD1-N 3.42Å; D264-N291 PolarHBondContact OD1-ND2 3.43Å; D264-N291 PolarHBondContact OD1-OD1 3.19Å
265	I	94.3	Very high	89	Confident	10 Å²	10	25.1 Å²	25.1	5%	0.051	12%	0.121	C	C	.	.			trans	-114	153.5	179.2	58.2	162.1	0	0	0	110.2	P229 I231 Q263 I267 F288 T289 N291	P229-I265 HydrophobicContact CB-CG2 4.14Å; P229-I265 CarbonylContact O-C 3.55Å; P229-I265 WeakPolarHBondContact O-CA 3.49Å; P229-I265 WeakPolarHBondContact O-CB 3.34Å; I231-I265 HydrophobicContact CD1-CD1 3.29Å; I231-I265 HydrophobicContact CG1-CD1 3.93Å; Q263-I265 PolarHBondContact O-N 3.41Å; I265-I267 HydrophobicContact CD1-CD1 4.45Å; I265-I267 HydrophobicContact CD1-CG1 4.3Å; I265-F288 WeakPolarHBondContact CD1-O 3.39Å; I265-F288 WeakPolarHBondContact CG1-O 3.5Å; I265-T289 PolarHBondContact O-OG1 3.01Å; I265-N291 PolarHBondContact N-ND2 3.15Å; I265-N291 PolarHBondContact O-ND2 3.43Å
266	N	95.9	Very high	88	Confident	16 Å²	16	24.8 Å²	24.8	9%	0.086	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	142.5	169.8	-76.5	-28.7	0	0	0	109.5	P229 T230 I231 M294	P229-N266 PolarHBondContact O-N 3.2Å; T230-N266 CarbonylContact C-O 3.39Å; T230-N266 VanDerWaalsContact CA-O 3.31Å; T230-N266 WeakPolarHBondContact CA-O 3.05Å; T230-N266 HydrophobicContact CG2-CB 3.85Å; T230-N266 WeakPolarHBondContact OG1-CB 3.15Å; I231-N266 PolarHBondContact N-O 2.7Å; N266-M294 HydrophobicContact CB-CE 3.42Å; N266-M294 VanDerWaalsContact CB-CE 3.42Å; N266-M294 WeakPolarHBondContact OD1-CE 3.47Å
267	I	95.2	Very high	87.1	Confident	0 Å²	0	26 Å²	26	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	121.6	170.6	-60.2	-175.2	0	0	0	108.1	I231 I233 I265 I269 W285 F288 T289 L293 M294	I231-I267 HydrophobicContact CB-CG1 4.37Å; I231-I267 CarbonylContact O-C 3.51Å; I231-I267 WeakPolarHBondContact O-CA 3.03Å; I233-I267 HydrophobicContact CD1-CG2 3.53Å; I233-I267 HydrophobicContact CG1-CG2 4.01Å; I265-I267 HydrophobicContact CD1-CD1 4.45Å; I265-I267 HydrophobicContact CD1-CG1 4.3Å; I267-I269 HydrophobicContact CG2-CD1 3.8Å; I267-W285 HydrophobicContact CD1-CE3 3.86Å; I267-W285 HydrophobicContact CD1-CZ3 4.25Å; I267-W285 HydrophobicContact CG2-CE3 4.45Å; I267-W285 HydrophobicContact CG2-CZ3 4.47Å; I267-F288 HydrophobicContact CD1-CB 3.92Å; I267-T289 HydrophobicContact CB-CG2 4.35Å; I267-T289 HydrophobicContact CD1-CG2 3.52Å; I267-T289 HydrophobicContact CG1-CG2 3.85Å; I267-L293 HydrophobicContact CB-CD2 3.81Å; I267-L293 HydrophobicContact CG2-CD2 3.99Å; I267-M294 PolarHBondContact O-N 2.83Å
268	I	94.3	Very high	86.1	Confident	2 Å²	2	30.2 Å²	30.2	1%	0.01	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	117.3	171.7	-60.1	177.9	0	0	0	107.9	L226 T230 I231 V232 I233 M294 L296 F306	L226-I268 HydrophobicContact CD1-CD1 3.96Å; T230-I268 HydrophobicContact CG2-CD1 3.74Å; T230-I268 HydrophobicContact CG2-CG1 3.78Å; I231-I268 PolarHBondContact O-N 2.66Å; V232-I268 WeakPolarHBondContact CA-O 3.15Å; V232-I268 HydrophobicContact CG2-CB 4.43Å; I233-I268 PolarHBondContact N-O 2.95Å; I268-M294 CarbonylContact C-O 3.46Å; I268-M294 WeakPolarHBondContact CA-O 3.48Å; I268-M294 HydrophobicContact CB-CB 4.42Å; I268-M294 HydrophobicContact CG1-CB 3.79Å; I268-M294 HydrophobicContact CG1-SD 4.36Å; I268-L296 HydrophobicContact CG2-CD2 4.44Å; I268-F306 HydrophobicContact CD1-CE1 3.64Å; I268-F306 HydrophobicContact CD1-CZ 3.93Å
269	I	91.4	Very high	85.3	Confident	0 Å²	0	28.7 Å²	28.7	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82	116.6	172.2	-54.4	-57	0	0	0	108.9	I233 L235 I267 D271 Y277 W285 M294 L296	I233-I269 HydrophobicContact CB-CD1 4.28Å; L235-I269 HydrophobicContact CD1-CG2 3.38Å; L235-I269 HydrophobicContact CD2-CD1 4.4Å; L235-I269 HydrophobicContact CG-CG2 3.79Å; I267-I269 HydrophobicContact CG2-CD1 3.8Å; I269-D271 HydrophobicContact CG2-CB 4.07Å; I269-D271 PolarHBondContact O-N 3.14Å; I269-Y277 HydrophobicContact CB-CD1 4.36Å; I269-Y277 HydrophobicContact CB-CG 4.19Å; I269-Y277 HydrophobicContact CG1-CD1 3.93Å; I269-Y277 HydrophobicContact CG1-CE1 4.2Å; I269-Y277 HydrophobicContact CG1-CG 4.24Å; I269-Y277 HydrophobicContact CG2-CD1 4.29Å; I269-Y277 HydrophobicContact CG2-CD2 3.78Å; I269-Y277 HydrophobicContact CG2-CE2 4.38Å; I269-Y277 HydrophobicContact CG2-CG 3.74Å; I269-W285 HydrophobicContact CD1-CH2 4.38Å; I269-W285 HydrophobicContact CD1-CZ2 4.06Å; I269-M294 PolarHBondContact N-O 3.21Å; I269-L296 PolarHBondContact O-N 2.98Å
270	W	89.1	Confident	84.5	Confident	14 Å²	14	36.1 Å²	36.1	5%	0.053	18%	0.181	C	C	.	.			trans	-80.6	65.4	177.4	-162.8	-76.8	0	0	0	110.6	F155 F157 V173 I174 E205 V232 I233 K234 L296	F155-W270 HydrophobicContact CD1-CH2 4.3Å; F155-W270 HydrophobicContact CE1-CH2 4.21Å; F155-W270 HydrophobicContact CE1-CZ3 4.49Å; F157-W270 AromaticContact CE1-CH2 3.87Å; F157-W270 HydrophobicContact CE1-CH2 3.87Å; F157-W270 AromaticContact CE1-CZ3 3.9Å; F157-W270 HydrophobicContact CE1-CZ3 3.9Å; F157-W270 HydrophobicContact CZ-CH2 4.43Å; F157-W270 HydrophobicContact CZ-CZ3 4.11Å; V173-W270 HydrophobicContact CB-CZ2 3.8Å; V173-W270 HydrophobicContact CG1-CH2 4.28Å; V173-W270 HydrophobicContact CG1-CZ2 3.64Å; V173-W270 HydrophobicContact CG2-CZ2 4.29Å; I174-W270 HydrophobicContact CD1-CH2 4.42Å; I174-W270 HydrophobicContact CG1-CH2 3.88Å; I174-W270 HydrophobicContact CG1-CZ2 4.15Å; E205-W270 HydrophobicContact CG-CH2 4.33Å; E205-W270 HydrophobicContact CG-CZ2 3.78Å; V232-W270 HydrophobicContact CG1-CB 4.44Å; V232-W270 HydrophobicContact CG1-CD2 4.29Å; V232-W270 HydrophobicContact CG1-CE3 3.36Å; V232-W270 HydrophobicContact CG1-CZ3 3.93Å; I233-W270 WeakPolarHBondContact O-CB 3.46Å; I233-W270 PolarHBondContact O-N 2.61Å; K234-W270 HydrophobicContact CG-CB 3.91Å; K234-W270 HydrophobicContact CG-CG 3.98Å; W270-L296 HydrophobicContact CD2-CD1 4.16Å; W270-L296 HydrophobicContact CD2-CD2 4.08Å; W270-L296 HydrophobicContact CE3-CD2 3.92Å; W270-L296 HydrophobicContact CG-CD1 4.01Å; W270-L296 HydrophobicContact CG-CD2 4.47Å; W270-L296 HydrophobicContact CZ3-CD2 4.42Å
271	D	85.2	Confident	83.9	Confident	9 Å²	9	37.1 Å²	37.1	5%	0.048	18%	0.181	C	C	.	.			trans	-104.5	119.5	175.6	-173.2	-9.5	0	0	0	109.9	I269 H273	I269-D271 HydrophobicContact CG2-CB 4.07Å; I269-D271 PolarHBondContact O-N 3.14Å; D271-H273 VanDerWaalsContact C-N 3.3Å; D271-H273 WeakPolarHBondContact OD1-CB 3.29Å; D271-H273 PolarHBondContact OD1-N 3.2Å
272	T	84.1	Confident	83.4	Confident	0 Å²	0	41.7 Å²	41.7	0%	0	20%	0.202	C	C	.	.			trans	-88.3	4.8	-179.8	61.5	0	0	0	0	113.9	F160 D167 R168 Y169 R170 V173 L296	F160-T272 HydrophobicContact CE2-CG2 3.87Å; F160-T272 HydrophobicContact CZ-CG2 4.2Å; D167-T272 PolarHBondContact O-OG1 3.38Å; R168-T272 PolarHBondContact O-N 3.32Å; R168-T272 VanDerWaalsContact O-N 3.09Å; R168-T272 PolarHBondContact O-OG1 3.06Å; Y169-T272 PolarHBondContact N-OG1 3.03Å; R170-T272 HydrophobicContact CB-CG2 4.09Å; R170-T272 WeakPolarHBondContact CG-OG1 3.43Å; R170-T272 PolarHBondContact N-OG1 2.76Å; V173-T272 HydrophobicContact CG2-CG2 3.43Å; V173-T272 VanDerWaalsContact CG2-CG2 3.43Å; T272-L296 HydrophobicContact CG2-CD1 3.8Å
273	H	81.1	Confident	83.1	Confident	33 Å²	33	42.2 Å²	42.2	15%	0.153	22%	0.217	C	C	.	.			trans	-64.4	144.4	-179.7	-164.5	-113.5	0	0	0	112.8	N166 R168 D271 Y275 G276 H297	N166-H273 PolarHBondContact O-CD2 3.11Å; R168-H273 HydrophobicContact CG-CB 3.95Å; D271-H273 VanDerWaalsContact C-N 3.3Å; D271-H273 WeakPolarHBondContact OD1-CB 3.29Å; D271-H273 PolarHBondContact OD1-N 3.2Å; H273-Y275 VanDerWaalsContact C-N 3.26Å; H273-Y275 AromaticContact CE1-CD2 3.64Å; H273-Y275 PolarHBondContact ND1-N 2.88Å; H273-Y275 PolarHBondContact O-N 3.19Å; H273-G276 PolarHBondContact O-N 3.09Å; H273-H297 PolarHBondContact O-NE2 3.24Å
274	R	76.1	Confident	82.9	Confident	50 Å²	50	43.5 Å²	43.5	19%	0.189	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60	-30	-177.1	178.6	-178.1	-81.4	-159.5	5.3	114.3	L163 H297 Y495	L163-R274 PolarHBondContact O-NH2 2.63Å; R274-H297 PolarHBondContact O-CE1 3.13Å; R274-Y495 WeakPolarHBondContact CD-OH 3.21Å
275	Y	74.7	Confident	82.7	Confident	147 Å²	147	40.7 Å²	40.7	58%	0.576	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	-94.8	3.1	178.4	-61.3	-69.4	0	0	0	113.3	H273 Y495	H273-Y275 VanDerWaalsContact C-N 3.26Å; H273-Y275 AromaticContact CE1-CD2 3.64Å; H273-Y275 PolarHBondContact ND1-N 2.88Å; H273-Y275 PolarHBondContact O-N 3.19Å; Y275-Y495 HydrophobicContact CE1-CD1 4.4Å; Y275-Y495 AromaticContact CE1-CE1 3.87Å; Y275-Y495 HydrophobicContact CE1-CE1 3.87Å
276	G	73.1	Confident	82.5	Confident	4 Å²	4	47.7 Å²	47.7	4%	0.041	24%	0.241	C	C	.	.			trans	73.6	-171.4	-174.3	0	0	0	0	0	112	H273 T278 H297	H273-G276 PolarHBondContact O-N 3.09Å; G276-T278 PolarHBondContact O-N 3.45Å; G276-H297 WeakPolarHBondContact CA-CD2 3.37Å; G276-H297 WeakPolarHBondContact CA-NE2 3.49Å; G276-H297 PolarHBondContact N-NE2 2.99Å
277	Y	74.5	Confident	82.1	Confident	27 Å²	27	49.2 Å²	49.2	11%	0.106	26%	0.256	C	S	.	.			trans	-75.7	115.8	177.2	178.9	-115.4	0	0	0	109.8	L235 H244 I269 D279 E282 W285 L293	L235-Y277 HydrophobicContact CD1-CD2 3.52Å; L235-Y277 HydrophobicContact CD1-CE2 3.25Å; H244-Y277 PolarHBondContact CE1-OH 3.19Å; I269-Y277 HydrophobicContact CB-CD1 4.36Å; I269-Y277 HydrophobicContact CB-CG 4.19Å; I269-Y277 HydrophobicContact CG1-CD1 3.93Å; I269-Y277 HydrophobicContact CG1-CE1 4.2Å; I269-Y277 HydrophobicContact CG1-CG 4.24Å; I269-Y277 HydrophobicContact CG2-CD1 4.29Å; I269-Y277 HydrophobicContact CG2-CD2 3.78Å; I269-Y277 HydrophobicContact CG2-CE2 4.38Å; I269-Y277 HydrophobicContact CG2-CG 3.74Å; Y277-D279 HydrophobicContact CE1-CB 4.14Å; Y277-D279 HydrophobicContact CE2-CB 3.67Å; Y277-D279 WeakPolarHBondContact CE2-OD2 3.33Å; Y277-D279 VanDerWaalsContact CZ-CB 3.43Å; Y277-D279 WeakPolarHBondContact OH-CB 3.44Å; Y277-D279 VanDerWaalsContact OH-CG 3.27Å; Y277-D279 PolarHBondContact OH-OD2 3.13Å; Y277-E282 HydrophobicContact CE1-CG 4.32Å; Y277-W285 AromaticContact CZ-NE1 3.89Å; Y277-W285 PolarHBondContact OH-NE1 3.16Å; Y277-W285 VanDerWaalsContact OH-NE1 3.11Å; Y277-L293 HydrophobicContact CD1-CD1 4.5Å; Y277-L293 HydrophobicContact CE1-CD1 3.99Å
278	T	70.8	Confident	81.9	Confident	99 Å²	99	50.3 Å²	50.3	61%	0.607	26%	0.261	S	S	*	.			trans	-136.5	124	171.6	59	0	0	0	0	108.4	G276	G276-T278 PolarHBondContact O-N 3.45Å
279	D	71.7	Confident	81.9	Confident	22 Å²	22	50.4 Å²	50.4	12%	0.118	26%	0.262	C	S	.	.			trans	-144.8	143.9	-168.1	-159.9	-47.6	0	0	0	111.8	G238 H244 Y277 F281	G238-D279 VanDerWaalsContact C-OD2 3.28Å; G238-D279 WeakPolarHBondContact CA-OD2 3.44Å; G238-D279 VanDerWaalsContact O-CG 3.26Å; G238-D279 VanDerWaalsContact O-OD2 3.13Å; H244-D279 IonicContact CD2-OD2 3.37Å; H244-D279 IonicContact CE1-OD2 3.9Å; H244-D279 PolarHBondContact CE1-OD2 3.42Å; H244-D279 IonicContact NE2-OD1 2.77Å; H244-D279 PolarHBondContact NE2-OD1 2.88Å; H244-D279 IonicContact NE2-OD2 2.87Å; H244-D279 PolarHBondContact NE2-OD2 3.36Å; Y277-D279 HydrophobicContact CE1-CB 4.14Å; Y277-D279 HydrophobicContact CE2-CB 3.67Å; Y277-D279 WeakPolarHBondContact CE2-OD2 3.33Å; Y277-D279 VanDerWaalsContact CZ-CB 3.43Å; Y277-D279 WeakPolarHBondContact OH-CB 3.44Å; Y277-D279 VanDerWaalsContact OH-CG 3.27Å; Y277-D279 PolarHBondContact OH-OD2 3.13Å; D279-F281 PolarHBondContact O-N 3.13Å; D279-F281 PolarHBondContact OD1-N 2.89Å
280	L	71.2	Confident	81.9	Confident	162 Å²	162	58 Å²	58	85%	0.848	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.3	-24.7	175.5	-65.4	174.4	0	0	0	112.2
281	F	75.1	Confident	82.1	Confident	60 Å²	60	59.3 Å²	59.3	26%	0.263	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.8	15.9	-176.1	-57.1	-79	0	0	0	113.3	M241 D279 G283 T284	M241-F281 HydrophobicContact CB-CD1 3.98Å; M241-F281 HydrophobicContact CB-CD2 4.36Å; M241-F281 HydrophobicContact CB-CE1 3.69Å; M241-F281 HydrophobicContact CB-CE2 4.1Å; M241-F281 HydrophobicContact CB-CG 4.31Å; M241-F281 HydrophobicContact CB-CZ 3.75Å; M241-F281 HydrophobicContact CG-CD1 4.08Å; M241-F281 HydrophobicContact CG-CE1 4.1Å; M241-F281 VanDerWaalsContact N-CE2 3.3Å; M241-F281 HydrophobicContact SD-CD1 4.41Å; M241-F281 HydrophobicContact SD-CE1 4.18Å; D279-F281 PolarHBondContact O-N 3.13Å; D279-F281 PolarHBondContact OD1-N 2.89Å; F281-G283 PolarHBondContact O-N 3.36Å; F281-T284 HydrophobicContact CB-CG2 4.18Å; F281-T284 WeakPolarHBondContact O-CB 3.1Å; F281-T284 WeakPolarHBondContact O-CG2 3.16Å; F281-T284 PolarHBondContact O-N 3.28Å; F281-T284 PolarHBondContact O-OG1 3.26Å
282	E	81.8	Confident	82.4	Confident	99 Å²	99	67.4 Å²	67.4	46%	0.463	33%	0.328	S	S	.	.	G	3₁₀ helix	trans	-49.1	-37	-178.9	-169.5	-172.8	165.3	0	0	112.7	Y277 T284 W285 L293	Y277-E282 HydrophobicContact CE1-CG 4.32Å; E282-T284 PolarHBondContact O-N 3.04Å; E282-T284 VanDerWaalsContact O-N 3.15Å; E282-W285 WeakPolarHBondContact O-CB 3.17Å; E282-W285 PolarHBondContact O-N 2.72Å; E282-L293 HydrophobicContact CG-CD1 3.71Å
283	G	82.7	Confident	82.8	Confident	50 Å²	50	68.3 Å²	68.3	52%	0.515	33%	0.333	S	S	.	.	G	3₁₀ helix	trans	-60.9	-22.2	178.9	0	0	0	0	0	115.2	F281 W285 K286	F281-G283 PolarHBondContact O-N 3.36Å; G283-W285 VanDerWaalsContact C-N 3.29Å; G283-W285 PolarHBondContact O-N 2.86Å; G283-K286 WeakPolarHBondContact O-CB 3.4Å; G283-K286 WeakPolarHBondContact O-CG 3.27Å; G283-K286 PolarHBondContact O-N 2.95Å
284	T	85.1	Confident	83.3	Confident	48 Å²	48	68.2 Å²	68.2	29%	0.294	33%	0.332	S	S	.	.	G	3₁₀ helix	trans	-70.3	-25	-179.5	60.5	0	0	0	0	112.8	F248 F281 E282 K286 A287	F248-T284 WeakPolarHBondContact CZ-OG1 3.47Å; F281-T284 HydrophobicContact CB-CG2 4.18Å; F281-T284 WeakPolarHBondContact O-CB 3.1Å; F281-T284 WeakPolarHBondContact O-CG2 3.16Å; F281-T284 PolarHBondContact O-N 3.28Å; F281-T284 PolarHBondContact O-OG1 3.26Å; E282-T284 PolarHBondContact O-N 3.04Å; E282-T284 VanDerWaalsContact O-N 3.15Å; T284-K286 PolarHBondContact O-N 3.02Å; T284-K286 VanDerWaalsContact O-N 3.08Å; T284-A287 WeakPolarHBondContact O-CB 3.26Å; T284-A287 PolarHBondContact O-N 3.18Å; T284-A287 VanDerWaalsContact O-N 3.13Å
285	W	89.8	Confident	84	Confident	2 Å²	2	66.6 Å²	66.6	1%	0.008	33%	0.329	C	S	.	.	G	3₁₀ helix	trans	-61.7	-18.3	175.8	-73.3	101.6	0	0	0	114.2	I233 L235 H244 F248 L251 I267 I269 Y277 E282 G283 A287 F288 T289 L293	I233-W285 HydrophobicContact CD1-CE3 4.23Å; I233-W285 HydrophobicContact CD1-CH2 3.35Å; I233-W285 HydrophobicContact CD1-CZ3 3.16Å; I233-W285 HydrophobicContact CG2-CH2 4.08Å; L235-W285 HydrophobicContact CD2-CH2 4.22Å; L235-W285 HydrophobicContact CD2-CZ2 3.62Å; H244-W285 AromaticContact CE1-NE1 3.84Å; H244-W285 AromaticContact ND1-CZ2 3.93Å; H244-W285 AromaticContact ND1-NE1 3.98Å; F248-W285 HydrophobicContact CD1-CH2 4.15Å; F248-W285 HydrophobicContact CD1-CZ3 4.17Å; F248-W285 AromaticContact CE1-CD2 3.89Å; F248-W285 HydrophobicContact CE1-CD2 3.89Å; F248-W285 AromaticContact CE1-CE2 3.82Å; F248-W285 AromaticContact CE1-CE3 3.85Å; F248-W285 HydrophobicContact CE1-CE3 3.85Å; F248-W285 AromaticContact CE1-CH2 3.66Å; F248-W285 HydrophobicContact CE1-CH2 3.66Å; F248-W285 AromaticContact CE1-CZ2 3.71Å; F248-W285 HydrophobicContact CE1-CZ2 3.71Å; F248-W285 AromaticContact CE1-CZ3 3.73Å; F248-W285 HydrophobicContact CE1-CZ3 3.73Å; F248-W285 HydrophobicContact CZ-CD2 4.43Å; F248-W285 HydrophobicContact CZ-CZ2 4.49Å; L251-W285 HydrophobicContact CD2-CZ3 3.85Å; I267-W285 HydrophobicContact CD1-CE3 3.86Å; I267-W285 HydrophobicContact CD1-CZ3 4.25Å; I267-W285 HydrophobicContact CG2-CE3 4.45Å; I267-W285 HydrophobicContact CG2-CZ3 4.47Å; I269-W285 HydrophobicContact CD1-CH2 4.38Å; I269-W285 HydrophobicContact CD1-CZ2 4.06Å; Y277-W285 AromaticContact CZ-NE1 3.89Å; Y277-W285 PolarHBondContact OH-NE1 3.16Å; Y277-W285 VanDerWaalsContact OH-NE1 3.11Å; E282-W285 WeakPolarHBondContact O-CB 3.17Å; E282-W285 PolarHBondContact O-N 2.72Å; G283-W285 VanDerWaalsContact C-N 3.29Å; G283-W285 PolarHBondContact O-N 2.86Å; W285-A287 PolarHBondContact O-N 3.28Å; W285-A287 VanDerWaalsContact O-N 3.09Å; W285-F288 HydrophobicContact CE3-CD2 4.36Å; W285-F288 PolarHBondContact O-N 3.5Å; W285-T289 PolarHBondContact O-N 3Å; W285-T289 VanDerWaalsContact O-N 3.11Å; W285-L293 HydrophobicContact CB-CD1 3.85Å; W285-L293 HydrophobicContact CB-CD2 3.93Å; W285-L293 HydrophobicContact CB-CG 4.28Å; W285-L293 HydrophobicContact CD2-CD2 4.4Å; W285-L293 HydrophobicContact CG-CD1 3.69Å; W285-L293 HydrophobicContact CG-CD2 4.06Å; W285-L293 HydrophobicContact CG-CG 4.45Å
286	K	89.3	Confident	84.7	Confident	158 Å²	158	59.6 Å²	59.6	69%	0.687	30%	0.302	S	S	*	.	G	3₁₀ helix	trans	-59.2	-19.1	174.1	-69.5	-177.8	178.6	178.6	0	113.5	Q263 G283 T284 F288 T289	Q263-K286 PolarHBondContact NE2-O 3.5Å; G283-K286 WeakPolarHBondContact O-CB 3.4Å; G283-K286 WeakPolarHBondContact O-CG 3.27Å; G283-K286 PolarHBondContact O-N 2.95Å; T284-K286 PolarHBondContact O-N 3.02Å; T284-K286 VanDerWaalsContact O-N 3.08Å; K286-F288 PolarHBondContact O-N 2.93Å; K286-T289 WeakPolarHBondContact CA-O 3.4Å
287	A	88.1	Confident	85.4	Confident	48 Å²	48	62.3 Å²	62.3	40%	0.397	31%	0.313	S	S	.	.	G	3₁₀ helix	trans	-61.5	-34.1	171.8	0	0	0	0	0	112.1	N32 Q263 T284 W285	N32-A287 PolarHBondContact ND2-O 3.35Å; Q263-A287 PolarHBondContact NE2-O 3.31Å; T284-A287 WeakPolarHBondContact O-CB 3.26Å; T284-A287 PolarHBondContact O-N 3.18Å; T284-A287 VanDerWaalsContact O-N 3.13Å; W285-A287 PolarHBondContact O-N 3.28Å; W285-A287 VanDerWaalsContact O-N 3.09Å
288	F	91.6	Very high	86.1	Confident	23 Å²	23	63.1 Å²	63.1	10%	0.101	32%	0.319	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.2	-29.2	-173.5	-60.5	-81.1	0	0	0	113.7	F248 L251 Q263 I265 I267 W285 K286	F248-F288 HydrophobicContact CB-CE2 3.89Å; F248-F288 HydrophobicContact CB-CZ 3.76Å; F248-F288 HydrophobicContact CD1-CD2 4.08Å; F248-F288 AromaticContact CD1-CE2 3.34Å; F248-F288 HydrophobicContact CD1-CE2 3.34Å; F248-F288 HydrophobicContact CD1-CZ 4.02Å; F248-F288 HydrophobicContact CD2-CE2 4.26Å; F248-F288 HydrophobicContact CE1-CD2 4.31Å; F248-F288 AromaticContact CE1-CE2 3.92Å; F248-F288 HydrophobicContact CE1-CE2 3.92Å; F248-F288 AromaticContact CG-CE2 3.55Å; F248-F288 HydrophobicContact CG-CE2 3.55Å; F248-F288 AromaticContact CG-CZ 3.98Å; F248-F288 HydrophobicContact CG-CZ 3.98Å; L251-F288 HydrophobicContact CD2-CB 4.2Å; L251-F288 HydrophobicContact CD2-CD1 3.55Å; L251-F288 HydrophobicContact CD2-CD2 3.99Å; L251-F288 HydrophobicContact CD2-CE1 3.85Å; L251-F288 HydrophobicContact CD2-CE2 4.28Å; L251-F288 HydrophobicContact CD2-CG 3.63Å; L251-F288 HydrophobicContact CD2-CZ 4.2Å; L251-F288 HydrophobicContact CG-CD1 4Å; L251-F288 HydrophobicContact CG-CE1 4.03Å; Q263-F288 WeakPolarHBondContact CA-O 3.44Å; I265-F288 WeakPolarHBondContact CD1-O 3.39Å; I265-F288 WeakPolarHBondContact CG1-O 3.5Å; I267-F288 HydrophobicContact CD1-CB 3.92Å; W285-F288 HydrophobicContact CE3-CD2 4.36Å; W285-F288 PolarHBondContact O-N 3.5Å; K286-F288 PolarHBondContact O-N 2.93Å
289	T	92.8	Very high	87	Confident	4 Å²	4	58.6 Å²	58.6	3%	0.025	29%	0.291	C	S	.	.			trans	-140.4	143.4	-178.4	-178.7	0	0	0	0	113.1	Q263 I265 I267 W285 K286 N291 L293	Q263-T289 WeakPolarHBondContact O-CA 3.46Å; I265-T289 PolarHBondContact O-OG1 3.01Å; I267-T289 HydrophobicContact CB-CG2 4.35Å; I267-T289 HydrophobicContact CD1-CG2 3.52Å; I267-T289 HydrophobicContact CG1-CG2 3.85Å; W285-T289 PolarHBondContact O-N 3Å; W285-T289 VanDerWaalsContact O-N 3.11Å; K286-T289 WeakPolarHBondContact CA-O 3.4Å; T289-N291 PolarHBondContact OG1-N 3.1Å; T289-L293 HydrophobicContact CG2-CD2 4.01Å
290	R	91.3	Very high	87.8	Confident	160 Å²	160	60 Å²	60	60%	0.604	30%	0.298	S	S	*	.	S	Bend	trans	-90.6	-14.3	167.6	-66.3	174	-167.1	168.7	6.4	112.7	Q263	Q263-R290 HydrophobicContact CB-CG 3.9Å; Q263-R290 PolarHBondContact O-N 3.22Å
291	N	93.2	Very high	88.7	Confident	40 Å²	40	54.4 Å²	54.4	21%	0.214	28%	0.28	C	S	.	.	S	Bend	trans	-82.7	157.8	-178.2	-63.9	-62.9	0	0	0	110.5	K228 D264 I265 T289 L293	K228-N291 PolarHBondContact NZ-OD1 3.09Å; D264-N291 PolarHBondContact OD1-ND2 3.43Å; D264-N291 PolarHBondContact OD1-OD1 3.19Å; I265-N291 PolarHBondContact N-ND2 3.15Å; I265-N291 PolarHBondContact O-ND2 3.43Å; T289-N291 PolarHBondContact OG1-N 3.1Å; N291-L293 PolarHBondContact O-N 2.92Å
292	R	92.4	Very high	89.6	Confident	180 Å²	180	55.6 Å²	55.6	68%	0.679	29%	0.285	S	S	*	.	P	Polyproline II helix	trans	-60.9	133.9	173.6	174.2	-178	166.9	-110.8	-6.6	109.4	M294 D298	R292-M294 PolarHBondContact O-N 2.68Å; R292-D298 IonicContact CZ-OD1 3.97Å; R292-D298 IonicContact NH1-OD1 2.72Å; R292-D298 PolarHBondContact NH1-OD1 3.26Å; R292-D298 IonicContact NH2-OD1 2.86Å; R292-D298 PolarHBondContact NH2-OD1 3.01Å; R292-D298 IonicContact NH2-OD2 3.11Å
293	L	92.4	Very high	90.2	Very high	19 Å²	19	52.6 Å²	52.6	10%	0.099	27%	0.27	C	S	.	.	P	Polyproline II helix	trans	-60.3	127.7	170.9	-66.4	179.5	0	0	0	110.2	I267 Y277 E282 W285 T289 N291	I267-L293 HydrophobicContact CB-CD2 3.81Å; I267-L293 HydrophobicContact CG2-CD2 3.99Å; Y277-L293 HydrophobicContact CD1-CD1 4.5Å; Y277-L293 HydrophobicContact CE1-CD1 3.99Å; E282-L293 HydrophobicContact CG-CD1 3.71Å; W285-L293 HydrophobicContact CB-CD1 3.85Å; W285-L293 HydrophobicContact CB-CD2 3.93Å; W285-L293 HydrophobicContact CB-CG 4.28Å; W285-L293 HydrophobicContact CD2-CD2 4.4Å; W285-L293 HydrophobicContact CG-CD1 3.69Å; W285-L293 HydrophobicContact CG-CD2 4.06Å; W285-L293 HydrophobicContact CG-CG 4.45Å; T289-L293 HydrophobicContact CG2-CD2 4.01Å; N291-L293 PolarHBondContact O-N 2.92Å
294	M	92.7	Very high	90.9	Very high	30 Å²	30	50.2 Å²	50.2	15%	0.148	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	151	171.9	-76	-176.5	-98.3	0	0	109.5	L226 N266 I267 I268 I269 R292	L226-M294 HydrophobicContact CD2-CE 4.2Å; L226-M294 HydrophobicContact CD2-SD 4.33Å; N266-M294 HydrophobicContact CB-CE 3.42Å; N266-M294 VanDerWaalsContact CB-CE 3.42Å; N266-M294 WeakPolarHBondContact OD1-CE 3.47Å; I267-M294 PolarHBondContact O-N 2.83Å; I268-M294 CarbonylContact C-O 3.46Å; I268-M294 WeakPolarHBondContact CA-O 3.48Å; I268-M294 HydrophobicContact CB-CB 4.42Å; I268-M294 HydrophobicContact CG1-CB 3.79Å; I268-M294 HydrophobicContact CG1-SD 4.36Å; I269-M294 PolarHBondContact N-O 3.21Å; R292-M294 PolarHBondContact O-N 2.68Å
295	S	89.8	Confident	91.4	Very high	17 Å²	17	47.9 Å²	47.9	12%	0.119	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	167.7	174.4	66.9	0	0	0	0	109.8	H297 D298	S295-H297 PolarHBondContact O-N 3.3Å; S295-H297 WeakPolarHBondContact OG-CB 3.48Å; S295-H297 PolarHBondContact OG-N 3.21Å; S295-D298 PolarHBondContact N-OD2 3.39Å; S295-D298 PolarHBondContact O-N 3.47Å; S295-D298 PolarHBondContact OG-OD2 2.89Å
296	L	89.1	Confident	91.8	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-58.1	-21.5	172.8	-65.8	-178.1	0	0	0	112.9	F157 F160 V173 I268 I269 W270 T272 D298 V299 I300	F157-L296 HydrophobicContact CD1-CD2 4.36Å; F157-L296 HydrophobicContact CE1-CD2 3.74Å; F157-L296 HydrophobicContact CZ-CD2 4.23Å; F160-L296 HydrophobicContact CD1-CB 4.36Å; F160-L296 HydrophobicContact CE1-CB 3.66Å; F160-L296 HydrophobicContact CE1-CD1 4.26Å; F160-L296 HydrophobicContact CZ-CB 4.27Å; F160-L296 HydrophobicContact CZ-CD1 4.27Å; V173-L296 HydrophobicContact CG1-CD1 4.42Å; I268-L296 HydrophobicContact CG2-CD2 4.44Å; I269-L296 PolarHBondContact O-N 2.98Å; W270-L296 HydrophobicContact CD2-CD1 4.16Å; W270-L296 HydrophobicContact CD2-CD2 4.08Å; W270-L296 HydrophobicContact CE3-CD2 3.92Å; W270-L296 HydrophobicContact CG-CD1 4.01Å; W270-L296 HydrophobicContact CG-CD2 4.47Å; W270-L296 HydrophobicContact CZ3-CD2 4.42Å; T272-L296 HydrophobicContact CG2-CD1 3.8Å; L296-D298 VanDerWaalsContact C-N 3.34Å; L296-D298 PolarHBondContact O-N 2.87Å; L296-V299 HydrophobicContact CD2-CG2 4.26Å; L296-V299 VanDerWaalsContact O-CG2 3.3Å; L296-V299 WeakPolarHBondContact O-CG2 3.36Å; L296-V299 PolarHBondContact O-N 3.39Å; L296-I300 WeakPolarHBondContact O-CG1 3.28Å; L296-I300 PolarHBondContact O-N 3.43Å
297	H	87.4	Confident	92.1	Very high	61 Å²	61	44.2 Å²	44.2	28%	0.282	21%	0.213	S	C	.	.	H	α-helix	trans	-64.7	-35.1	174.9	-74.2	-107.2	0	0	0	113.3	L162 H273 R274 G276 S295 V299	L162-H297 WeakPolarHBondContact CD1-CE1 3.27Å; L162-H297 WeakPolarHBondContact CD1-ND1 3.49Å; L162-H297 WeakPolarHBondContact CD2-CE1 3.42Å; L162-H297 WeakPolarHBondContact CD2-NE2 3.39Å; H273-H297 PolarHBondContact O-NE2 3.24Å; R274-H297 PolarHBondContact O-CE1 3.13Å; G276-H297 WeakPolarHBondContact CA-CD2 3.37Å; G276-H297 WeakPolarHBondContact CA-NE2 3.49Å; G276-H297 PolarHBondContact N-NE2 2.99Å; S295-H297 PolarHBondContact O-N 3.3Å; S295-H297 WeakPolarHBondContact OG-CB 3.48Å; S295-H297 PolarHBondContact OG-N 3.21Å; H297-V299 PolarHBondContact O-N 2.88Å
298	D	89.2	Confident	92.5	Very high	44 Å²	44	44.5 Å²	44.5	24%	0.235	21%	0.207	C	C	.	.	H	α-helix	trans	-68.5	-21.9	-178.5	-59.4	-80.3	0	0	0	111.6	R292 S295 L296 K302	R292-D298 IonicContact CZ-OD1 3.97Å; R292-D298 IonicContact NH1-OD1 2.72Å; R292-D298 PolarHBondContact NH1-OD1 3.26Å; R292-D298 IonicContact NH2-OD1 2.86Å; R292-D298 PolarHBondContact NH2-OD1 3.01Å; R292-D298 IonicContact NH2-OD2 3.11Å; S295-D298 PolarHBondContact N-OD2 3.39Å; S295-D298 PolarHBondContact O-N 3.47Å; S295-D298 PolarHBondContact OG-OD2 2.89Å; L296-D298 VanDerWaalsContact C-N 3.34Å; L296-D298 PolarHBondContact O-N 2.87Å; D298-K302 PolarHBondContact O-NZ 3.38Å
299	V	90.5	Very high	92.7	Very high	3 Å²	3	43.5 Å²	43.5	2%	0.018	20%	0.202	C	C	.	.	H	α-helix	trans	-115.8	0.5	-170.6	-61.4	0	0	0	0	115.1	F157 L296 H297 G301 K302 V304	F157-V299 HydrophobicContact CD1-CG2 4.49Å; F157-V299 HydrophobicContact CD2-CB 3.93Å; F157-V299 HydrophobicContact CD2-CG2 3.77Å; F157-V299 HydrophobicContact CE1-CG2 4.47Å; F157-V299 HydrophobicContact CE2-CB 4.08Å; F157-V299 HydrophobicContact CE2-CG2 3.76Å; F157-V299 HydrophobicContact CG-CG2 4.15Å; F157-V299 HydrophobicContact CZ-CG2 4.12Å; L296-V299 HydrophobicContact CD2-CG2 4.26Å; L296-V299 VanDerWaalsContact O-CG2 3.3Å; L296-V299 WeakPolarHBondContact O-CG2 3.36Å; L296-V299 PolarHBondContact O-N 3.39Å; H297-V299 PolarHBondContact O-N 2.88Å; V299-G301 PolarHBondContact O-N 3.06Å; V299-K302 PolarHBondContact O-N 2.89Å; V299-V304 HydrophobicContact CB-CG2 3.66Å; V299-V304 HydrophobicContact CG1-CG2 3.66Å
300	I	88.4	Confident	92.9	Very high	52 Å²	52	43.5 Å²	43.5	27%	0.267	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.6	135.6	-179.9	-95	165.3	0	0	0	113.1	F160 L162 L296 K302	F160-I300 HydrophobicContact CD1-CD1 3.82Å; F160-I300 HydrophobicContact CD1-CG1 3.32Å; F160-I300 HydrophobicContact CE1-CD1 3.6Å; F160-I300 HydrophobicContact CE1-CG1 3.6Å; F160-I300 HydrophobicContact CG-CG1 4.41Å; L162-I300 HydrophobicContact CD1-CD1 3.09Å; L162-I300 HydrophobicContact CD2-CD1 3.94Å; L162-I300 HydrophobicContact CG-CD1 3.27Å; L296-I300 WeakPolarHBondContact O-CG1 3.28Å; L296-I300 PolarHBondContact O-N 3.43Å; I300-K302 PolarHBondContact O-N 2.97Å
301	G	89.6	Confident	93.1	Very high	44 Å²	44	36.1 Å²	36.1	45%	0.454	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	69	-2.9	176.2	0	0	0	0	0	114.5	F157 V299	F157-G301 VanDerWaalsContact O-CA 3.31Å; F157-G301 WeakPolarHBondContact O-CA 3.25Å; F157-G301 PolarHBondContact O-N 2.94Å; V299-G301 PolarHBondContact O-N 3.06Å
302	K	94.2	Very high	93.1	Very high	85 Å²	85	34.3 Å²	34.3	37%	0.37	17%	0.165	S	C	.	.	S	Bend	trans	-102.6	152.4	-176	-61.9	173.1	-165.6	163.8	0	111	F157 D223 I224 D298 V299 I300 V304	F157-K302 PolarHBondContact N-O 3.19Å; D223-K302 HydrophobicContact CB-CB 4.12Å; D223-K302 HydrophobicContact CB-CG 4.5Å; D223-K302 WeakPolarHBondContact OD2-CA 3.37Å; I224-K302 HydrophobicContact CD1-CD 3.47Å; I224-K302 VanDerWaalsContact CD1-CD 3.47Å; I224-K302 HydrophobicContact CG1-CD 4.09Å; D298-K302 PolarHBondContact O-NZ 3.38Å; V299-K302 PolarHBondContact O-N 2.89Å; I300-K302 PolarHBondContact O-N 2.97Å; K302-V304 HydrophobicContact CB-CG2 4.44Å
303	K	95	Very high	93	Very high	36 Å²	36	26 Å²	26	16%	0.157	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	104.1	166.5	-169.3	168.8	173.5	-150.9	0	109.6	F154 H156 H221 D223 I224	F154-K303 HydrophobicContact CB-CG 4.38Å; F154-K303 HydrophobicContact CD2-CD 4.25Å; F154-K303 HydrophobicContact CD2-CG 4.19Å; F154-K303 VanDerWaalsContact CG-CE 3.49Å; H156-K303 HydrophobicContact CB-CB 4.38Å; H156-K303 HydrophobicContact CB-CD 4.5Å; H156-K303 HydrophobicContact CB-CG 4.11Å; H221-K303 WeakPolarHBondContact O-CD 3.47Å; H221-K303 WeakPolarHBondContact O-CE 3.38Å; H221-K303 PolarHBondContact O-NZ 3.36Å; D223-K303 PolarHBondContact N-O 2.74Å; D223-K303 PolarHBondContact OD2-N 3.11Å; I224-K303 PolarHBondContact N-O 3Å
304	V	96.6	Very high	92.6	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	126.8	-179.8	-173.7	0	0	0	0	109.3	F154 F155 F157 I224 L226 V299 K302 F306	F154-V304 CarbonylContact C-O 3.57Å; F154-V304 VanDerWaalsContact CA-O 3.28Å; F154-V304 WeakPolarHBondContact CA-O 3.5Å; F155-V304 PolarHBondContact N-O 3.3Å; F155-V304 PolarHBondContact O-N 3.11Å; F157-V304 HydrophobicContact CD2-CG2 4.12Å; F157-V304 HydrophobicContact CE2-CB 4.27Å; F157-V304 HydrophobicContact CE2-CG2 4.09Å; I224-V304 HydrophobicContact CB-CG1 4.31Å; I224-V304 HydrophobicContact CB-CG2 4.29Å; I224-V304 HydrophobicContact CD1-CG2 4.39Å; I224-V304 HydrophobicContact CG2-CG1 4.3Å; I224-V304 WeakPolarHBondContact O-CA 3.47Å; L226-V304 HydrophobicContact CD1-CG1 3.81Å; L226-V304 HydrophobicContact CG-CG1 4.06Å; V299-V304 HydrophobicContact CB-CG2 3.66Å; V299-V304 HydrophobicContact CG1-CG2 3.66Å; K302-V304 HydrophobicContact CB-CG2 4.44Å; V304-F306 HydrophobicContact CB-CE2 4.07Å; V304-F306 HydrophobicContact CB-CZ 4.25Å; V304-F306 HydrophobicContact CG1-CD2 4.44Å; V304-F306 HydrophobicContact CG1-CE1 4.21Å; V304-F306 HydrophobicContact CG1-CE2 3.77Å; V304-F306 HydrophobicContact CG1-CZ 3.65Å
305	C	97.2	Very high	91.6	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	136.2	177.6	-63.1	0	0	0	0	110.6	I153 F154 M217 C222 I224 I225 L226	I153-C305 WeakPolarHBondContact O-CA 3.42Å; F154-C305 HydrophobicContact CB-CB 4.47Å; F154-C305 VanDerWaalsContact CB-SG 3.57Å; M217-C305 HydrophobicContact CE-CB 4.21Å; M217-C305 HydrophobicContact SD-CB 3.5Å; M217-C305 WeakPolarHBondContact SD-CB 3.41Å; C222-C305 HydrophobicContact CB-CB 3.64Å; C222-C305 WeakPolarHBondContact CB-SG 3.16Å; C222-C305 WeakPolarHBondContact SG-CB 3.08Å; C222-C305 CovalentContact SG-SG 2.01Å; C222-C305 PolarHBondContact SG-SG 3.25Å; I224-C305 PolarHBondContact O-N 2.97Å; I225-C305 WeakPolarHBondContact CA-O 3.41Å; L226-C305 PolarHBondContact N-O 2.82Å
306	F	97	Very high	90.6	Very high	1 Å²	1	27.3 Å²	27.3	0%	0.004	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	123	-174.3	-58.9	-95	0	0	0	109	N152 I153 F155 L226 T230 I268 V304 V309	N152-F306 CarbonylContact C-O 3.54Å; N152-F306 WeakPolarHBondContact CA-O 3.49Å; N152-F306 PolarHBondContact N-O 3.45Å; N152-F306 VanDerWaalsContact N-O 3.16Å; I153-F306 PolarHBondContact N-O 2.95Å; I153-F306 VanDerWaalsContact N-O 3.13Å; I153-F306 PolarHBondContact O-N 3.14Å; F155-F306 HydrophobicContact CB-CE2 4.06Å; F155-F306 HydrophobicContact CD2-CD2 4.03Å; F155-F306 AromaticContact CD2-CE2 3.61Å; F155-F306 HydrophobicContact CD2-CE2 3.61Å; F155-F306 HydrophobicContact CD2-CZ 4.46Å; F155-F306 HydrophobicContact CG-CE2 4.24Å; L226-F306 HydrophobicContact CB-CD1 4.39Å; L226-F306 HydrophobicContact CD1-CD1 3.77Å; L226-F306 HydrophobicContact CD1-CE1 3.46Å; L226-F306 VanDerWaalsContact CD1-CE1 3.46Å; L226-F306 HydrophobicContact CD1-CZ 4.22Å; T230-F306 HydrophobicContact CG2-CD1 4.03Å; T230-F306 HydrophobicContact CG2-CE1 3.79Å; I268-F306 HydrophobicContact CD1-CE1 3.64Å; I268-F306 HydrophobicContact CD1-CZ 3.93Å; V304-F306 HydrophobicContact CB-CE2 4.07Å; V304-F306 HydrophobicContact CB-CZ 4.25Å; V304-F306 HydrophobicContact CG1-CD2 4.44Å; V304-F306 HydrophobicContact CG1-CE1 4.21Å; V304-F306 HydrophobicContact CG1-CE2 3.77Å; V304-F306 HydrophobicContact CG1-CZ 3.65Å; F306-V309 HydrophobicContact CB-CB 3.84Å; F306-V309 HydrophobicContact CB-CG1 3.96Å; F306-V309 HydrophobicContact CD1-CB 3.94Å; F306-V309 HydrophobicContact CD1-CG2 4.1Å; F306-V309 HydrophobicContact CE1-CG2 4.41Å; F306-V309 HydrophobicContact CG-CB 3.94Å; F306-V309 HydrophobicContact CG-CG1 4.21Å; F306-V309 HydrophobicContact CG-CG2 4.4Å
307	R	95.8	Very high	89.5	Confident	81 Å²	81	27.4 Å²	27.4	31%	0.306	14%	0.135	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.6	-49.5	166.9	-75.4	-68	-179.2	-169.8	-0.9	110.6	K151 N152 M217 L226 E227	K151-R307 CarbonylContact C-O 3.51Å; K151-R307 WeakPolarHBondContact CA-O 3.16Å; N152-R307 PolarHBondContact N-O 3.26Å; M217-R307 HydrophobicContact CE-CB 4.37Å; M217-R307 VanDerWaalsContact CE-CD 3.47Å; M217-R307 HydrophobicContact CE-CG 3.69Å; L226-R307 PolarHBondContact O-N 3.26Å; L226-R307 VanDerWaalsContact O-N 3.11Å; E227-R307 IonicContact OE1-NE 3.2Å; E227-R307 IonicContact OE1-NH2 3.51Å; E227-R307 WeakPolarHBondContact OE2-CD 3.34Å; E227-R307 WeakPolarHBondContact OE2-CG 3.4Å; E227-R307 IonicContact OE2-CZ 3.81Å; E227-R307 IonicContact OE2-NE 3.77Å; E227-R307 PolarHBondContact OE2-NE 3.41Å; E227-R307 IonicContact OE2-NH2 2.74Å
308	E	96.3	Very high	88	Confident	55 Å²	55	29.1 Å²	29.1	26%	0.257	14%	0.141	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	131.5	174.7	-56.9	-161.8	164.9	0	0	109.2	Y149 A150 K151 P229 T230	Y149-E308 PolarHBondContact OH-OE1 3.03Å; Y149-E308 PolarHBondContact OH-OE2 3.24Å; A150-E308 WeakPolarHBondContact O-CA 3.32Å; K151-E308 HydrophobicContact CG-CG 4.38Å; K151-E308 IonicContact NZ-OE1 3.87Å; K151-E308 PolarHBondContact NZ-OE1 3.39Å; P229-E308 HydrophobicContact CB-CB 4.33Å; T230-E308 PolarHBondContact N-O 3.41Å
309	V	96.9	Very high	86.6	Confident	1 Å²	1	31.5 Å²	31.5	1%	0.006	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	131.5	175	60.8	0	0	0	0	111.4	A150 I153 T230 V232 F306 M311	A150-V309 HydrophobicContact CB-CG1 3.86Å; A150-V309 PolarHBondContact N-O 3.27Å; A150-V309 PolarHBondContact O-N 3.4Å; I153-V309 HydrophobicContact CD1-CG1 3.58Å; I153-V309 HydrophobicContact CG1-CG1 3.66Å; T230-V309 CarbonylContact O-C 3.48Å; T230-V309 WeakPolarHBondContact O-CA 3.47Å; V232-V309 HydrophobicContact CB-CG2 4.45Å; V232-V309 HydrophobicContact CG2-CG2 3.58Å; F306-V309 HydrophobicContact CB-CB 3.84Å; F306-V309 HydrophobicContact CB-CG1 3.96Å; F306-V309 HydrophobicContact CD1-CB 3.94Å; F306-V309 HydrophobicContact CD1-CG2 4.1Å; F306-V309 HydrophobicContact CE1-CG2 4.41Å; F306-V309 HydrophobicContact CG-CB 3.94Å; F306-V309 HydrophobicContact CG-CG1 4.21Å; F306-V309 HydrophobicContact CG-CG2 4.4Å; V309-M311 HydrophobicContact CG2-CE 4.43Å
310	M	96	Very high	85.3	Confident	4 Å²	4	31.5 Å²	31.5	2%	0.02	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	134	175	-170.5	-172.5	77.9	0	0	109.8	Y147 Y149 T230 I231 V232 L251 N258 P312	Y147-M310 HydrophobicContact CE2-CG 3.6Å; Y147-M310 HydrophobicContact CE2-SD 3.74Å; Y149-M310 HydrophobicContact CD2-CB 4.24Å; T230-M310 PolarHBondContact O-N 2.9Å; I231-M310 CarbonylContact C-O 2.92Å; I231-M310 WeakPolarHBondContact CA-O 3.31Å; I231-M310 HydrophobicContact CB-CE 4.48Å; I231-M310 HydrophobicContact CD1-CE 3.57Å; I231-M310 HydrophobicContact CG1-CB 4.47Å; I231-M310 HydrophobicContact CG1-CE 3.91Å; I231-M310 HydrophobicContact CG2-CE 3.8Å; V232-M310 PolarHBondContact N-O 3.22Å; L251-M310 HydrophobicContact CD1-CE 3.86Å; N258-M310 HydrophobicContact CB-SD 3.72Å; M310-P312 HydrophobicContact CE-CB 4.06Å
311	M	95	Very high	84.3	Confident	5 Å²	5	30 Å²	30	3%	0.025	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	95.4	175.1	-78.8	173	-153.1	0	0	106.3	Y147 C148 F155 Y203 L206 V232 V309	Y147-M311 WeakPolarHBondContact CA-O 3.39Å; Y147-M311 WeakPolarHBondContact CD2-O 3.41Å; C148-M311 HydrophobicContact CB-CB 3.97Å; C148-M311 HydrophobicContact CB-SD 4.13Å; C148-M311 PolarHBondContact N-O 2.9Å; C148-M311 PolarHBondContact O-N 3.16Å; F155-M311 HydrophobicContact CE2-CE 3.61Å; F155-M311 HydrophobicContact CZ-CE 3.41Å; F155-M311 VanDerWaalsContact CZ-CE 3.41Å; Y203-M311 HydrophobicContact CD1-CB 3.77Å; Y203-M311 HydrophobicContact CD1-CG 3.54Å; Y203-M311 HydrophobicContact CD1-SD 3.58Å; Y203-M311 VanDerWaalsContact CD1-SD 3.58Å; Y203-M311 HydrophobicContact CD2-CB 3.74Å; Y203-M311 HydrophobicContact CD2-CG 4.39Å; Y203-M311 HydrophobicContact CD2-SD 4.42Å; Y203-M311 HydrophobicContact CE1-CB 3.49Å; Y203-M311 VanDerWaalsContact CE1-CB 3.49Å; Y203-M311 HydrophobicContact CE1-CG 3.49Å; Y203-M311 VanDerWaalsContact CE1-CG 3.49Å; Y203-M311 HydrophobicContact CE1-SD 4.18Å; Y203-M311 HydrophobicContact CE2-CB 3.5Å; Y203-M311 VanDerWaalsContact CE2-CB 3.5Å; Y203-M311 HydrophobicContact CE2-CG 4.37Å; Y203-M311 HydrophobicContact CG-CB 3.88Å; Y203-M311 HydrophobicContact CG-CG 4.01Å; Y203-M311 HydrophobicContact CG-SD 3.72Å; Y203-M311 VanDerWaalsContact OH-C 3.23Å; L206-M311 HydrophobicContact CD1-SD 3.73Å; L206-M311 HydrophobicContact CD2-CE 4.18Å; L206-M311 HydrophobicContact CD2-SD 4.38Å; L206-M311 HydrophobicContact CG-SD 4.21Å; V232-M311 HydrophobicContact CB-CG 4.33Å; V309-M311 HydrophobicContact CG2-CE 4.43Å
312	P	94	Very high	83	Confident	3 Å²	3	31.4 Å²	31.4	2%	0.019	14%	0.135	C	C	.	.	P	Polyproline II helix	trans	-65.1	160.4	-174	26.1	-34.7	0	0	0	112.6	Y203 I231 V232 I233 L251 S254 M310 L314	Y203-P312 WeakPolarHBondContact CE2-O 3.44Å; Y203-P312 WeakPolarHBondContact OH-CD 3.35Å; Y203-P312 VanDerWaalsContact OH-N 3.08Å; Y203-P312 PolarHBondContact OH-O 3.04Å; I231-P312 HydrophobicContact CG2-CG 3.9Å; V232-P312 WeakPolarHBondContact O-CD 3.4Å; I233-P312 HydrophobicContact CG1-CG 4.18Å; L251-P312 HydrophobicContact CD1-CB 4.04Å; L251-P312 HydrophobicContact CD1-CG 4.21Å; S254-P312 WeakPolarHBondContact OG-CA 3.22Å; S254-P312 VanDerWaalsContact OG-CB 3.29Å; S254-P312 WeakPolarHBondContact OG-CB 3.5Å; M310-P312 HydrophobicContact CE-CB 4.06Å; P312-L314 PolarHBondContact O-N 3.18Å
313	L	90.1	Very high	81.4	Confident	5 Å²	5	27.9 Å²	27.9	3%	0.026	12%	0.12	C	C	.	.	P	Polyproline II helix	trans	-48.3	137.9	162	-63	171.8	0	0	0	109.9	Y117 R121 E146 N250 A253 S254 L257 M317	Y117-L313 HydrophobicContact CE1-CD1 4.02Å; R121-L313 HydrophobicContact CG-CD2 4.45Å; E146-L313 HydrophobicContact CB-CD2 4.07Å; E146-L313 WeakPolarHBondContact O-CA 3.28Å; N250-L313 HydrophobicContact CB-CB 4.14Å; N250-L313 WeakPolarHBondContact CB-O 3.46Å; A253-L313 HydrophobicContact CB-CD1 4.11Å; S254-L313 WeakPolarHBondContact OG-CB 3.41Å; S254-L313 WeakPolarHBondContact OG-CG 3.36Å; S254-L313 PolarHBondContact OG-N 3.03Å; L257-L313 HydrophobicContact CD1-CD1 4.15Å; L257-L313 HydrophobicContact CD1-CD2 4.49Å; L257-L313 HydrophobicContact CD1-CG 4.27Å; L313-M317 HydrophobicContact CB-CE 3.82Å; L313-M317 HydrophobicContact CB-SD 4.44Å; L313-M317 HydrophobicContact CD1-CE 4.47Å; L313-M317 HydrophobicContact CD2-CE 3.97Å; L313-M317 HydrophobicContact CD2-SD 4.22Å; L313-M317 HydrophobicContact CG-CE 4.29Å
314	L	83.3	Confident	79.4	Confident	8 Å²	8	28.1 Å²	28.1	4%	0.042	12%	0.123	C	C	.	.	P	Polyproline II helix	trans	-99.7	145.3	-176.1	-62.7	170.8	0	0	0	110.1	D201 Y203 K234 P312 R316 M317	D201-L314 WeakPolarHBondContact O-CD1 2.92Å; Y203-L314 HydrophobicContact CD2-CD1 4.43Å; Y203-L314 HydrophobicContact CE2-CD1 3.99Å; Y203-L314 HydrophobicContact CE2-CD2 4.35Å; Y203-L314 HydrophobicContact CE2-CG 4.09Å; Y203-L314 WeakPolarHBondContact OH-CD2 3.07Å; K234-L314 HydrophobicContact CB-CD2 3.77Å; K234-L314 HydrophobicContact CD-CD1 4.49Å; K234-L314 WeakPolarHBondContact O-CD2 3.3Å; P312-L314 PolarHBondContact O-N 3.18Å; L314-R316 VanDerWaalsContact C-N 3.34Å; L314-R316 PolarHBondContact O-N 3.07Å; L314-M317 VanDerWaalsContact O-CG 3.25Å; L314-M317 WeakPolarHBondContact O-CG 3.27Å
315	A	72.8	Confident	77.6	Confident	2 Å²	2	31.5 Å²	31.5	2%	0.017	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-44.6	175.6	0	0	0	0	0	111.4	D236 C246 M317 F323	D236-A315 HydrophobicContact CB-CB 4.06Å; C246-A315 HydrophobicContact CB-CB 3.7Å; A315-M317 VanDerWaalsContact C-N 3.26Å; A315-M317 PolarHBondContact O-N 3.01Å; A315-F323 WeakPolarHBondContact O-CB 3.15Å
316	R	69.2	Low	75.4	Confident	84 Å²	84	33.8 Å²	33.8	32%	0.317	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.1	53	178.9	-65.5	-159.4	177.4	164.3	12.3	114.6	D201 D236 L314 F323	D201-R316 HydrophobicContact CB-CB 3.85Å; D201-R316 WeakPolarHBondContact OD2-CB 3.32Å; D201-R316 VanDerWaalsContact OD2-CD 3.26Å; D201-R316 WeakPolarHBondContact OD2-CD 3.43Å; D236-R316 HydrophobicContact CB-CG 4.47Å; D236-R316 IonicContact OD1-CZ 2.72Å; D236-R316 IonicContact OD1-NE 2.71Å; D236-R316 PolarHBondContact OD1-NE 3.33Å; D236-R316 IonicContact OD1-NH2 2.97Å; D236-R316 PolarHBondContact OD1-NH2 3.36Å; L314-R316 VanDerWaalsContact C-N 3.34Å; L314-R316 PolarHBondContact O-N 3.07Å; R316-F323 HydrophobicContact CG-CD1 4.16Å; R316-F323 HydrophobicContact CG-CE1 3.73Å; R316-F323 HydrophobicContact CG-CZ 4.18Å
317	M	65	Low	73.4	Confident	2 Å²	2	35.7 Å²	35.7	1%	0.01	16%	0.164	C	C	.	.	S	Bend	trans	-118	147	170.4	70.9	-173.6	170.5	0	0	111.6	Y117 E146 L313 L314 A315 F319 G320 N324	Y117-M317 WeakPolarHBondContact OH-CE 3.37Å; E146-M317 HydrophobicContact CB-SD 4.08Å; E146-M317 HydrophobicContact CG-SD 4.17Å; L313-M317 HydrophobicContact CB-CE 3.82Å; L313-M317 HydrophobicContact CB-SD 4.44Å; L313-M317 HydrophobicContact CD1-CE 4.47Å; L313-M317 HydrophobicContact CD2-CE 3.97Å; L313-M317 HydrophobicContact CD2-SD 4.22Å; L313-M317 HydrophobicContact CG-CE 4.29Å; L314-M317 VanDerWaalsContact O-CG 3.25Å; L314-M317 WeakPolarHBondContact O-CG 3.27Å; A315-M317 VanDerWaalsContact C-N 3.26Å; A315-M317 PolarHBondContact O-N 3.01Å; M317-F319 PolarHBondContact O-N 2.88Å; M317-G320 WeakPolarHBondContact O-CA 3.36Å; M317-G320 PolarHBondContact O-N 3.42Å; M317-N324 PolarHBondContact N-ND2 3.43Å; M317-N324 VanDerWaalsContact O-CB 3.26Å; M317-N324 WeakPolarHBondContact O-CB 3.47Å; M317-N324 PolarHBondContact O-ND2 2.84Å
318	F	57	Low	71.7	Confident	96 Å²	96	33.2 Å²	33.2	42%	0.421	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60	130.3	174.8	-160.8	-107	0	0	0	109.7	L199 G320 W404	L199-F318 HydrophobicContact CD2-CB 4.37Å; F318-G320 PolarHBondContact O-N 3Å; F318-W404 AromaticContact CZ-CH2 3.85Å; F318-W404 HydrophobicContact CZ-CH2 3.85Å; F318-W404 HydrophobicContact CZ-CZ2 4.29Å
319	F	57.8	Low	70.1	Confident	95 Å²	95	32.9 Å²	32.9	42%	0.417	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.4	28.3	-167.2	-51.2	-66.9	0	0	0	114.8	Y117 M317	Y117-F319 WeakPolarHBondContact CE2-O 3.4Å; Y117-F319 PolarHBondContact OH-O 3.39Å; M317-F319 PolarHBondContact O-N 2.88Å
320	G	63.9	Low	68.3	Low	3 Å²	3	34.9 Å²	34.9	3%	0.031	17%	0.173	C	C	.	.			trans	-60.5	147.9	162.8	0	0	0	0	0	111.1	M317 F318 Y322	M317-G320 WeakPolarHBondContact O-CA 3.36Å; M317-G320 PolarHBondContact O-N 3.42Å; F318-G320 PolarHBondContact O-N 3Å; G320-Y322 PolarHBondContact O-N 3.1Å
321	L	66.9	Low	66.5	Low	21 Å²	21	38.9 Å²	38.9	11%	0.11	19%	0.188	C	C	.	.	S	Bend	trans	-64.5	130.2	173.6	-69.8	173.4	0	0	0	108.7	Y117 I249 A253 F323	Y117-L321 HydrophobicContact CD1-CD1 3.94Å; Y117-L321 HydrophobicContact CD1-CD2 4.33Å; Y117-L321 HydrophobicContact CD1-CG 4.09Å; Y117-L321 HydrophobicContact CD2-CD2 3.97Å; Y117-L321 HydrophobicContact CD2-CG 4.42Å; Y117-L321 HydrophobicContact CE1-CD1 4.17Å; Y117-L321 HydrophobicContact CE1-CG 4.05Å; Y117-L321 HydrophobicContact CE2-CD2 4.23Å; Y117-L321 HydrophobicContact CE2-CG 4.34Å; Y117-L321 HydrophobicContact CG-CD1 4.38Å; Y117-L321 HydrophobicContact CG-CD2 4.01Å; Y117-L321 HydrophobicContact CG-CG 4.29Å; I249-L321 HydrophobicContact CG2-CB 4.27Å; I249-L321 HydrophobicContact CG2-CD1 4.3Å; A253-L321 HydrophobicContact CB-CD1 4.22Å; L321-F323 VanDerWaalsContact C-N 3.27Å; L321-F323 PolarHBondContact O-N 3.17Å
322	Y	62.9	Low	65.2	Low	73 Å²	73	40.8 Å²	40.8	29%	0.286	20%	0.198	S	C	.	.	S	Bend	trans	68.2	-51.8	176.8	-57.9	-83.2	0	0	0	116.9	I249 G320 M325 F385	I249-Y322 HydrophobicContact CD1-CD2 3.66Å; I249-Y322 HydrophobicContact CD1-CE2 3.71Å; I249-Y322 HydrophobicContact CD1-CG 4.34Å; I249-Y322 HydrophobicContact CG2-CD2 3.83Å; I249-Y322 HydrophobicContact CG2-CE2 3.83Å; G320-Y322 PolarHBondContact O-N 3.1Å; Y322-M325 HydrophobicContact CD1-CE 4.32Å; Y322-F385 HydrophobicContact CD1-CD1 4.02Å; Y322-F385 HydrophobicContact CD1-CE1 4.42Å; Y322-F385 AromaticContact CE1-CD1 3.95Å; Y322-F385 HydrophobicContact CE1-CD1 3.95Å; Y322-F385 AromaticContact CE1-CE1 3.88Å; Y322-F385 HydrophobicContact CE1-CE1 3.88Å
323	F	60.7	Low	64.1	Low	11 Å²	11	46.5 Å²	46.5	5%	0.048	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-43.2	-172.7	-165.9	-94.8	0	0	0	113.7	D236 A315 R316 L321 G388	D236-F323 WeakPolarHBondContact OD2-CD2 3.34Å; D236-F323 WeakPolarHBondContact OD2-CE2 3.44Å; A315-F323 WeakPolarHBondContact O-CB 3.15Å; R316-F323 HydrophobicContact CG-CD1 4.16Å; R316-F323 HydrophobicContact CG-CE1 3.73Å; R316-F323 HydrophobicContact CG-CZ 4.18Å; L321-F323 VanDerWaalsContact C-N 3.27Å; L321-F323 PolarHBondContact O-N 3.17Å; F323-G388 WeakPolarHBondContact O-CA 3.31Å; F323-G388 PolarHBondContact O-N 3.45Å
324	N	54.1	Low	63	Low	41 Å²	41	49.3 Å²	49.3	22%	0.219	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-113.8	21.7	-178.9	-76.5	-43.8	0	0	0	112.9	M317 P326	M317-N324 PolarHBondContact N-ND2 3.43Å; M317-N324 VanDerWaalsContact O-CB 3.26Å; M317-N324 WeakPolarHBondContact O-CB 3.47Å; M317-N324 PolarHBondContact O-ND2 2.84Å; N324-P326 VanDerWaalsContact O-CD 3.27Å; N324-P326 WeakPolarHBondContact O-CD 3.29Å
325	M	58.2	Low	62.3	Low	70 Å²	70	50.8 Å²	50.8	35%	0.345	26%	0.255	S	S	.	.			trans	-70.6	117.2	173.1	-178.5	165.3	40.7	0	0	108.2	Y322 L327	Y322-M325 HydrophobicContact CD1-CE 4.32Å; M325-L327 PolarHBondContact O-N 2.91Å
326	P	49.9	Very low	62.3	Low	48 Å²	48	58.9 Å²	58.9	31%	0.312	29%	0.29	S	S	.	.			trans	-67.2	121.7	-176.1	25.7	-33	0	0	0	110.6	N324 W407	N324-P326 VanDerWaalsContact O-CD 3.27Å; N324-P326 WeakPolarHBondContact O-CD 3.29Å; P326-W407 HydrophobicContact CB-CH2 3.36Å; P326-W407 HydrophobicContact CB-CZ2 4.34Å; P326-W407 HydrophobicContact CB-CZ3 3.97Å; P326-W407 HydrophobicContact CG-CH2 3.49Å; P326-W407 VanDerWaalsContact CG-CH2 3.49Å; P326-W407 HydrophobicContact CG-CZ2 4.12Å
327	L	56.6	Low	62.7	Low	41 Å²	41	58.8 Å²	58.8	22%	0.215	29%	0.294	C	S	.	.			trans	-83.7	115.1	168.3	-106.5	95	0	0	0	110.5	M325 L332 M365 T387	M325-L327 PolarHBondContact O-N 2.91Å; L327-L332 HydrophobicContact CD2-CD1 3.59Å; L327-L332 HydrophobicContact CG-CD1 4.23Å; L327-M365 HydrophobicContact CD1-CE 3.43Å; L327-M365 VanDerWaalsContact CD1-CE 3.43Å; L327-M365 HydrophobicContact CD2-CE 3.6Å; L327-M365 HydrophobicContact CD2-SD 3.85Å; L327-M365 HydrophobicContact CG-CE 3.84Å; L327-T387 HydrophobicContact CD1-CG2 3.26Å
328	I	58.7	Low	63.4	Low	30 Å²	30	63.5 Å²	63.5	15%	0.154	31%	0.314	C	S	.	.			trans	-97.7	97.1	167.2	-48.6	173.9	0	0	0	107.5	A330 R331 L332 W407	I328-A330 VanDerWaalsContact C-N 3.27Å; I328-A330 HydrophobicContact CG2-CB 4.31Å; I328-A330 PolarHBondContact O-N 3.48Å; I328-R331 HydrophobicContact CB-CB 3.74Å; I328-R331 HydrophobicContact CG2-CB 3.78Å; I328-R331 WeakPolarHBondContact O-CA 3.47Å; I328-R331 VanDerWaalsContact O-CB 3.31Å; I328-R331 WeakPolarHBondContact O-CB 3.43Å; I328-R331 PolarHBondContact O-N 3Å; I328-L332 PolarHBondContact O-N 3.08Å; I328-W407 HydrophobicContact CD1-CD2 3.96Å; I328-W407 HydrophobicContact CD1-CH2 4.19Å; I328-W407 HydrophobicContact CD1-CZ2 3.5Å; I328-W407 HydrophobicContact CG1-CH2 4.26Å; I328-W407 HydrophobicContact CG1-CZ2 4.05Å
329	L	62.3	Low	64.5	Low	48 Å²	48	67.8 Å²	67.8	25%	0.251	34%	0.335	S	S	.	.	H	α-helix	trans	-62	-37.8	-176.2	-139.3	144.7	0	0	0	111.9	R331 L332 K333 V340 V342	L329-R331 PolarHBondContact O-N 3.27Å; L329-L332 PolarHBondContact O-N 2.77Å; L329-K333 HydrophobicContact CD2-CD 3.86Å; L329-K333 VanDerWaalsContact CD2-CE 3.41Å; L329-K333 HydrophobicContact CD2-CG 4.21Å; L329-K333 WeakPolarHBondContact O-CB 3.32Å; L329-K333 WeakPolarHBondContact O-CG 3.49Å; L329-K333 PolarHBondContact O-N 2.75Å; L329-V340 HydrophobicContact CD2-CG1 3.98Å; L329-V342 HydrophobicContact CD1-CG1 4.43Å; L329-V342 HydrophobicContact CD1-CG2 3.57Å; L329-V342 HydrophobicContact CD2-CG2 3.18Å; L329-V342 HydrophobicContact CG-CG2 3.95Å
330	A	59.2	Low	65.7	Low	42 Å²	42	65 Å²	65	35%	0.347	33%	0.326	S	S	.	.	H	α-helix	trans	-58.3	-33.7	171.3	0	0	0	0	0	112.6	I328 A334	I328-A330 VanDerWaalsContact C-N 3.27Å; I328-A330 HydrophobicContact CG2-CB 4.31Å; I328-A330 PolarHBondContact O-N 3.48Å; A330-A334 VanDerWaalsContact O-CB 3.29Å; A330-A334 WeakPolarHBondContact O-CB 3.25Å; A330-A334 PolarHBondContact O-N 3.46Å
331	R	58.9	Low	66.5	Low	89 Å²	89	69.2 Å²	69.2	34%	0.336	35%	0.351	S	S	.	.	H	α-helix	trans	-75.9	-41.5	179	-172.9	59.5	178	174.3	2.2	111.7	T96 I328 L329 K333 A334 V335	T96-R331 PolarHBondContact OG1-NH2 2.94Å; I328-R331 HydrophobicContact CB-CB 3.74Å; I328-R331 HydrophobicContact CG2-CB 3.78Å; I328-R331 WeakPolarHBondContact O-CA 3.47Å; I328-R331 VanDerWaalsContact O-CB 3.31Å; I328-R331 WeakPolarHBondContact O-CB 3.43Å; I328-R331 PolarHBondContact O-N 3Å; L329-R331 PolarHBondContact O-N 3.27Å; R331-K333 VanDerWaalsContact C-N 3.34Å; R331-A334 PolarHBondContact O-N 3.38Å; R331-V335 WeakPolarHBondContact O-CG2 3.49Å; R331-V335 PolarHBondContact O-N 3.3Å
332	L	67.7	Low	67.1	Low	44 Å²	44	71.1 Å²	71.1	23%	0.23	36%	0.364	C	S	.	.	H	α-helix	trans	-59.7	-48.1	173.2	-69	171.2	0	0	0	109.8	L327 I328 L329 A334 V335 F338 V340 M365	L327-L332 HydrophobicContact CD2-CD1 3.59Å; L327-L332 HydrophobicContact CG-CD1 4.23Å; I328-L332 PolarHBondContact O-N 3.08Å; L329-L332 PolarHBondContact O-N 2.77Å; L332-A334 VanDerWaalsContact C-N 3.26Å; L332-A334 PolarHBondContact O-N 2.86Å; L332-V335 PolarHBondContact O-N 2.67Å; L332-V335 VanDerWaalsContact O-N 3.08Å; L332-F338 HydrophobicContact CD2-CD2 4.43Å; L332-V340 HydrophobicContact CB-CG1 4.24Å; L332-V340 HydrophobicContact CB-CG2 3.71Å; L332-M365 HydrophobicContact CD1-SD 4.27Å
333	K	70.7	Confident	67.8	Low	124 Å²	124	69.7 Å²	69.7	54%	0.539	37%	0.367	S	S	.	.	H	α-helix	trans	-60.7	-30.9	175.4	-75.8	178.3	174.1	177.6	0	113.3	L329 R331 V335 V340	L329-K333 HydrophobicContact CD2-CD 3.86Å; L329-K333 VanDerWaalsContact CD2-CE 3.41Å; L329-K333 HydrophobicContact CD2-CG 4.21Å; L329-K333 WeakPolarHBondContact O-CB 3.32Å; L329-K333 WeakPolarHBondContact O-CG 3.49Å; L329-K333 PolarHBondContact O-N 2.75Å; R331-K333 VanDerWaalsContact C-N 3.34Å; K333-V335 VanDerWaalsContact C-N 3.32Å; K333-V340 HydrophobicContact CG-CB 3.77Å; K333-V340 HydrophobicContact CG-CG1 4.08Å; K333-V340 HydrophobicContact CG-CG2 4.37Å
334	A	66.4	Low	68.5	Low	64 Å²	64	75.6 Å²	75.6	53%	0.529	40%	0.395	S	S	.	.	H	α-helix	trans	-75	-18.6	177.1	0	0	0	0	0	113.8	A330 R331 L332 K336	A330-A334 VanDerWaalsContact O-CB 3.29Å; A330-A334 WeakPolarHBondContact O-CB 3.25Å; A330-A334 PolarHBondContact O-N 3.46Å; R331-A334 PolarHBondContact O-N 3.38Å; L332-A334 VanDerWaalsContact C-N 3.26Å; L332-A334 PolarHBondContact O-N 2.86Å; A334-K336 PolarHBondContact O-N 2.97Å
335	V	69.6	Low	69.4	Low	38 Å²	38	76.4 Å²	76.4	23%	0.23	40%	0.395	C	S	.	.	S	Bend	trans	-82.9	104.7	175.8	175.6	0	0	0	0	107.8	R331 L332 K333 E337 F338	R331-V335 WeakPolarHBondContact O-CG2 3.49Å; R331-V335 PolarHBondContact O-N 3.3Å; L332-V335 PolarHBondContact O-N 2.67Å; L332-V335 VanDerWaalsContact O-N 3.08Å; K333-V335 VanDerWaalsContact C-N 3.32Å; V335-E337 HydrophobicContact CG1-CB 4.14Å; V335-E337 WeakPolarHBondContact CG1-OE2 3.16Å; V335-E337 PolarHBondContact O-N 2.97Å; V335-F338 HydrophobicContact CB-CD2 3.83Å; V335-F338 HydrophobicContact CB-CE2 4.44Å; V335-F338 HydrophobicContact CG1-CD2 3.56Å; V335-F338 HydrophobicContact CG1-CE2 3.89Å; V335-F338 PolarHBondContact O-N 3.24Å
336	K	73.7	Confident	69.9	Low	173 Å²	173	79.8 Å²	79.8	75%	0.752	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.1	-6.8	-175.6	-65.1	-172.5	179.6	-172.4	0	115	K94 A334	K94-K336 HydrophobicContact CD-CB 3.9Å; K94-K336 HydrophobicContact CD-CD 4.15Å; K94-K336 HydrophobicContact CD-CG 4.43Å; A334-K336 PolarHBondContact O-N 2.97Å
337	E	77	Confident	70.4	Confident	82 Å²	82	84.9 Å²	84.9	38%	0.383	42%	0.424	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.9	-22.2	174.7	-68.9	77.1	-172.7	0	0	113.4	S92 K94 V335	S92-E337 VanDerWaalsContact CB-OE1 3.27Å; S92-E337 WeakPolarHBondContact CB-OE1 3.45Å; S92-E337 PolarHBondContact OG-OE1 3.3Å; S92-E337 PolarHBondContact OG-OE2 2.93Å; K94-E337 WeakPolarHBondContact CD-OE1 3.31Å; K94-E337 WeakPolarHBondContact CE-OE1 3.44Å; K94-E337 VanDerWaalsContact CG-OE1 3.24Å; K94-E337 WeakPolarHBondContact CG-OE1 3.45Å; K94-E337 IonicContact NZ-OE1 3.57Å; V335-E337 HydrophobicContact CG1-CB 4.14Å; V335-E337 WeakPolarHBondContact CG1-OE2 3.16Å; V335-E337 PolarHBondContact O-N 2.97Å
338	F	78.5	Confident	71.1	Confident	100 Å²	100	84.4 Å²	84.4	44%	0.439	43%	0.43	S	S	.	.			trans	-99.5	128.1	178.5	-64.7	-59.9	0	0	0	109.8	L332 V335 V340 I363	L332-F338 HydrophobicContact CD2-CD2 4.43Å; V335-F338 HydrophobicContact CB-CD2 3.83Å; V335-F338 HydrophobicContact CB-CE2 4.44Å; V335-F338 HydrophobicContact CG1-CD2 3.56Å; V335-F338 HydrophobicContact CG1-CE2 3.89Å; V335-F338 PolarHBondContact O-N 3.24Å; F338-V340 HydrophobicContact CB-CG2 3.63Å; F338-I363 HydrophobicContact CE1-CD1 3.89Å
339	Q	80.8	Confident	71.9	Confident	186 Å²	186	84.5 Å²	84.5	87%	0.869	43%	0.431	S	S	*	.			trans	-87.6	104.4	158.7	-176.9	172.6	-5.5	0	0	107.1
340	V	82.5	Confident	72.9	Confident	38 Å²	38	83.8 Å²	83.8	23%	0.23	43%	0.43	C	S	.	.			trans	-101.4	108.5	-173.5	-175.5	0	0	0	0	109.2	L329 L332 K333 F338	L329-V340 HydrophobicContact CD2-CG1 3.98Å; L332-V340 HydrophobicContact CB-CG1 4.24Å; L332-V340 HydrophobicContact CB-CG2 3.71Å; K333-V340 HydrophobicContact CG-CB 3.77Å; K333-V340 HydrophobicContact CG-CG1 4.08Å; K333-V340 HydrophobicContact CG-CG2 4.37Å; F338-V340 HydrophobicContact CB-CG2 3.63Å
341	T	82.2	Confident	74	Confident	90 Å²	90	86.7 Å²	86.7	55%	0.552	44%	0.439	S	S	*	.			trans	-99.3	126.6	171.4	-53	0	0	0	0	108.4	T357	T341-T357 HydrophobicContact CG2-CG2 3.88Å
342	V	79.5	Confident	75.3	Confident	61 Å²	61	87.9 Å²	87.9	37%	0.37	45%	0.451	S	S	.	.			trans	-87.2	115.2	166.7	-173.4	0	0	0	0	105.9	L329 E344	L329-V342 HydrophobicContact CD1-CG1 4.43Å; L329-V342 HydrophobicContact CD1-CG2 3.57Å; L329-V342 HydrophobicContact CD2-CG2 3.18Å; L329-V342 HydrophobicContact CG-CG2 3.95Å; V342-E344 HydrophobicContact CG1-CG 4.19Å
343	A	76.2	Confident	76	Confident	43 Å²	43	90.8 Å²	90.8	36%	0.355	46%	0.464	S	S	.	.			trans	-97.9	102.3	176	0	0	0	0	0	108.9	Y345 T357	A343-Y345 HydrophobicContact CB-CD1 4.41Å; A343-Y345 HydrophobicContact CB-CD2 4.46Å; A343-Y345 HydrophobicContact CB-CE1 3.78Å; A343-Y345 HydrophobicContact CB-CE2 3.84Å; A343-Y345 VanDerWaalsContact CB-CZ 3.47Å; A343-Y345 WeakPolarHBondContact CB-OH 2.97Å; A343-T357 HydrophobicContact CB-CG2 4.03Å
344	E	74.9	Confident	76.6	Confident	136 Å²	136	86.7 Å²	86.7	64%	0.636	45%	0.446	S	S	*	.			trans	-96.8	93.5	169.2	-76.8	167.2	-162.4	0	0	107.5	V342 E346	V342-E344 HydrophobicContact CG1-CG 4.19Å; E344-E346 PolarHBondContact O-N 3.11Å
345	Y	73.9	Confident	77.6	Confident	57 Å²	57	87.4 Å²	87.4	22%	0.224	44%	0.436	C	S	.	.			trans	-81.3	68.4	176.8	-58.1	-45.1	0	0	0	110.3	A343 V349 Q354 T357 T358 H374	A343-Y345 HydrophobicContact CB-CD1 4.41Å; A343-Y345 HydrophobicContact CB-CD2 4.46Å; A343-Y345 HydrophobicContact CB-CE1 3.78Å; A343-Y345 HydrophobicContact CB-CE2 3.84Å; A343-Y345 VanDerWaalsContact CB-CZ 3.47Å; A343-Y345 WeakPolarHBondContact CB-OH 2.97Å; Y345-V349 HydrophobicContact CD1-CB 4.47Å; Y345-V349 HydrophobicContact CD1-CG1 4.2Å; Y345-Q354 HydrophobicContact CD1-CB 4.21Å; Y345-Q354 HydrophobicContact CD1-CG 3.61Å; Y345-Q354 HydrophobicContact CE1-CB 3.93Å; Y345-Q354 HydrophobicContact CE1-CG 3.83Å; Y345-Q354 HydrophobicContact CG-CG 4.19Å; Y345-Q354 PolarHBondContact OH-O 3.39Å; Y345-T357 HydrophobicContact CE1-CG2 4.48Å; Y345-T358 PolarHBondContact OH-OG1 3.32Å; Y345-H374 AromaticContact CD2-CD2 3.64Å; Y345-H374 AromaticContact CD2-CE1 3.28Å; Y345-H374 WeakPolarHBondContact CD2-CE1 3.36Å; Y345-H374 AromaticContact CD2-ND1 3.84Å; Y345-H374 AromaticContact CD2-NE2 3.15Å; Y345-H374 WeakPolarHBondContact CD2-NE2 3.35Å; Y345-H374 HydrophobicContact CE2-CB 4.48Å; Y345-H374 AromaticContact CE2-CD2 3.28Å; Y345-H374 WeakPolarHBondContact CE2-CD2 3.36Å; Y345-H374 AromaticContact CE2-CE1 3.73Å; Y345-H374 AromaticContact CE2-CG 3.64Å; Y345-H374 AromaticContact CE2-ND1 3.94Å; Y345-H374 AromaticContact CE2-NE2 3.35Å; Y345-H374 WeakPolarHBondContact CE2-NE2 3.2Å; Y345-H374 AromaticContact CG-NE2 3.74Å; Y345-H374 AromaticContact CZ-CD2 3.88Å
346	E	69	Low	78.3	Confident	142 Å²	142	91.4 Å²	91.4	66%	0.664	45%	0.452	S	S	*	.			trans	-70.7	170.7	170.8	-64.4	-170.5	164.4	0	0	111.5	E344 G348 V349	E344-E346 PolarHBondContact O-N 3.11Å; E346-G348 PolarHBondContact O-N 3.15Å; E346-V349 PolarHBondContact O-N 2.83Å
347	Y	60.9	Low	78.8	Confident	154 Å²	154	85.4 Å²	85.4	60%	0.604	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.3	102.3	173.1	-169.9	-98.3	0	0	0	109.7	Q700	Y347-Q700 HydrophobicContact CE1-CB 3.88Å; Y347-Q700 HydrophobicContact CE1-CG 3.75Å; Y347-Q700 VanDerWaalsContact OH-CB 3.3Å; Y347-Q700 WeakPolarHBondContact OH-CB 3.43Å
348	G	70.9	Confident	79.3	Confident	32 Å²	32	81.6 Å²	81.6	33%	0.33	41%	0.412	S	S	.	.	T	Hydrogen-bonded Turn	trans	132	-1.8	-177.1	0	0	0	0	0	116.1	E346 W704	E346-G348 PolarHBondContact O-N 3.15Å; G348-W704 VanDerWaalsContact C-CZ2 3.43Å; G348-W704 WeakPolarHBondContact O-CH2 3.32Å; G348-W704 WeakPolarHBondContact O-CZ2 3.36Å
349	V	74.6	Confident	79.7	Confident	31 Å²	31	79.8 Å²	79.8	19%	0.188	41%	0.405	C	S	.	.			trans	-84.7	121.8	171.2	-173.1	0	0	0	0	109.4	Y345 E346 L351 E353 Q354	Y345-V349 HydrophobicContact CD1-CB 4.47Å; Y345-V349 HydrophobicContact CD1-CG1 4.2Å; E346-V349 PolarHBondContact O-N 2.83Å; V349-L351 PolarHBondContact O-N 3.27Å; V349-E353 HydrophobicContact CG1-CB 4.07Å; V349-E353 HydrophobicContact CG1-CG 4Å; V349-Q354 HydrophobicContact CB-CG 4.08Å; V349-Q354 HydrophobicContact CG1-CG 3.69Å; V349-Q354 PolarHBondContact O-NE2 3.45Å
350	P	83	Confident	79.8	Confident	33 Å²	33	75.8 Å²	75.8	21%	0.214	39%	0.389	C	S	.	.			trans	-52.1	138	176.1	-11	12.1	0	0	0	113.3	L352 E353 Q354 W704	P350-L352 PolarHBondContact O-N 3.04Å; P350-L352 VanDerWaalsContact O-N 3.11Å; P350-E353 HydrophobicContact CB-CB 3.89Å; P350-E353 WeakPolarHBondContact CD-OE2 3.46Å; P350-E353 HydrophobicContact CG-CB 3.69Å; P350-E353 VanDerWaalsContact CG-OE2 3.32Å; P350-E353 WeakPolarHBondContact CG-OE2 3.49Å; P350-E353 CarbonylContact O-C 3.56Å; P350-E353 WeakPolarHBondContact O-CA 3.32Å; P350-E353 WeakPolarHBondContact O-CB 3.39Å; P350-E353 PolarHBondContact O-N 2.92Å; P350-Q354 WeakPolarHBondContact O-CG 3.45Å; P350-Q354 PolarHBondContact O-N 3.5Å; P350-W704 HydrophobicContact CB-CE3 3.8Å; P350-W704 HydrophobicContact CB-CH2 4.04Å; P350-W704 HydrophobicContact CB-CZ3 3.18Å; P350-W704 HydrophobicContact CG-CE3 4.18Å; P350-W704 HydrophobicContact CG-CH2 3.46Å; P350-W704 VanDerWaalsContact CG-CH2 3.46Å; P350-W704 HydrophobicContact CG-CZ3 3.14Å; P350-W704 VanDerWaalsContact N-CZ3 3.26Å
351	L	82.7	Confident	80.1	Confident	104 Å²	104	75.3 Å²	75.3	55%	0.545	39%	0.388	S	S	.	.	H	α-helix	trans	-52	-39	173.3	-179	63.9	0	0	0	111.8	V349 Q354 Y355 F377	V349-L351 PolarHBondContact O-N 3.27Å; L351-Q354 WeakPolarHBondContact O-CB 3.05Å; L351-Q354 PolarHBondContact O-N 2.68Å; L351-Y355 WeakPolarHBondContact O-CB 3.45Å; L351-Y355 PolarHBondContact O-N 3.09Å; L351-F377 HydrophobicContact CD1-CE2 4.29Å; L351-F377 HydrophobicContact CD1-CZ 3.87Å
352	L	85.8	Confident	80.4	Confident	114 Å²	114	76.3 Å²	76.3	60%	0.597	39%	0.39	S	S	*	.	H	α-helix	trans	-67	-34.8	177	-170	65.6	0	0	0	112.4	P350 Y355 H356	P350-L352 PolarHBondContact O-N 3.04Å; P350-L352 VanDerWaalsContact O-N 3.11Å; L352-Y355 WeakPolarHBondContact O-CB 3.44Å; L352-Y355 PolarHBondContact O-N 3.24Å; L352-H356 WeakPolarHBondContact O-CB 3.48Å; L352-H356 PolarHBondContact O-CD2 3.1Å; L352-H356 PolarHBondContact O-N 3.39Å
353	E	82.7	Confident	80.7	Confident	105 Å²	105	77 Å²	77	49%	0.491	39%	0.391	S	S	.	.	H	α-helix	trans	-73.6	-37.4	175	-176.1	172.7	173.9	0	0	111.4	V349 P350 Y355 H356 T357	V349-E353 HydrophobicContact CG1-CB 4.07Å; V349-E353 HydrophobicContact CG1-CG 4Å; P350-E353 HydrophobicContact CB-CB 3.89Å; P350-E353 WeakPolarHBondContact CD-OE2 3.46Å; P350-E353 HydrophobicContact CG-CB 3.69Å; P350-E353 VanDerWaalsContact CG-OE2 3.32Å; P350-E353 WeakPolarHBondContact CG-OE2 3.49Å; P350-E353 CarbonylContact O-C 3.56Å; P350-E353 WeakPolarHBondContact O-CA 3.32Å; P350-E353 WeakPolarHBondContact O-CB 3.39Å; P350-E353 PolarHBondContact O-N 2.92Å; E353-Y355 VanDerWaalsContact C-N 3.33Å; E353-H356 PolarHBondContact O-N 2.81Å; E353-T357 VanDerWaalsContact O-CB 3.28Å; E353-T357 WeakPolarHBondContact O-CB 3.39Å; E353-T357 PolarHBondContact O-N 2.86Å; E353-T357 PolarHBondContact O-OG1 3.5Å
354	Q	84.7	Confident	81.1	Confident	37 Å²	37	75.9 Å²	75.9	17%	0.173	38%	0.378	C	S	.	.	H	α-helix	trans	-59.6	-45.6	169.7	-60	-179.3	35.7	0	0	110.6	Y345 V349 P350 L351 T357 T358 H374	Y345-Q354 HydrophobicContact CD1-CB 4.21Å; Y345-Q354 HydrophobicContact CD1-CG 3.61Å; Y345-Q354 HydrophobicContact CE1-CB 3.93Å; Y345-Q354 HydrophobicContact CE1-CG 3.83Å; Y345-Q354 HydrophobicContact CG-CG 4.19Å; Y345-Q354 PolarHBondContact OH-O 3.39Å; V349-Q354 HydrophobicContact CB-CG 4.08Å; V349-Q354 HydrophobicContact CG1-CG 3.69Å; V349-Q354 PolarHBondContact O-NE2 3.45Å; P350-Q354 WeakPolarHBondContact O-CG 3.45Å; P350-Q354 PolarHBondContact O-N 3.5Å; L351-Q354 WeakPolarHBondContact O-CB 3.05Å; L351-Q354 PolarHBondContact O-N 2.68Å; Q354-T357 PolarHBondContact O-N 3.06Å; Q354-T358 VanDerWaalsContact O-CB 3.31Å; Q354-T358 WeakPolarHBondContact O-CB 3.26Å; Q354-T358 PolarHBondContact O-N 2.89Å; Q354-T358 PolarHBondContact O-OG1 3.33Å; Q354-H374 PolarHBondContact OE1-NE2 3Å
355	Y	85.7	Confident	81.2	Confident	80 Å²	80	72.8 Å²	72.8	31%	0.314	36%	0.364	S	S	.	.	H	α-helix	trans	-60.1	-52.2	173.5	176.8	-94.5	0	0	0	111.1	L351 L352 E353 T357 T358 H359 F377	L351-Y355 WeakPolarHBondContact O-CB 3.45Å; L351-Y355 PolarHBondContact O-N 3.09Å; L352-Y355 WeakPolarHBondContact O-CB 3.44Å; L352-Y355 PolarHBondContact O-N 3.24Å; E353-Y355 VanDerWaalsContact C-N 3.33Å; Y355-T357 VanDerWaalsContact C-N 3.25Å; Y355-T357 PolarHBondContact O-N 3.16Å; Y355-T358 PolarHBondContact O-N 3.47Å; Y355-H359 HydrophobicContact CD1-CB 4.23Å; Y355-H359 HydrophobicContact CD2-CB 4.33Å; Y355-H359 HydrophobicContact CE1-CB 3.97Å; Y355-H359 AromaticContact CE1-CD2 3.91Å; Y355-H359 AromaticContact CE1-CG 3.88Å; Y355-H359 HydrophobicContact CE2-CB 4.08Å; Y355-H359 HydrophobicContact CG-CB 4.4Å; Y355-H359 AromaticContact CZ-CD2 3.85Å; Y355-H359 AromaticContact CZ-CG 3.56Å; Y355-H359 AromaticContact CZ-ND1 3.73Å; Y355-H359 WeakPolarHBondContact O-CA 3.4Å; Y355-H359 WeakPolarHBondContact O-CB 3.48Å; Y355-H359 PolarHBondContact O-N 3.35Å; Y355-H359 PolarHBondContact OH-CE1 2.81Å; Y355-H359 VanDerWaalsContact OH-CE1 3.28Å; Y355-H359 PolarHBondContact OH-ND1 2.82Å; Y355-H359 PolarHBondContact OH-NE2 3.45Å; Y355-F377 HydrophobicContact CD2-CB 3.83Å; Y355-F377 AromaticContact CD2-CD1 3.52Å; Y355-F377 HydrophobicContact CD2-CD1 3.52Å; Y355-F377 HydrophobicContact CD2-CE1 4.22Å; Y355-F377 AromaticContact CD2-CG 3.72Å; Y355-F377 HydrophobicContact CD2-CG 3.72Å; Y355-F377 HydrophobicContact CE2-CB 4.23Å; Y355-F377 HydrophobicContact CE2-CD1 4.12Å; Y355-F377 HydrophobicContact CE2-CG 4.45Å
356	H	85.1	Confident	81.2	Confident	122 Å²	122	70.4 Å²	70.4	57%	0.565	36%	0.357	S	S	*	.	H	α-helix	trans	-61	-33.8	179.5	-77.5	-55.4	0	0	0	113.5	L352 E353	L352-H356 WeakPolarHBondContact O-CB 3.48Å; L352-H356 PolarHBondContact O-CD2 3.1Å; L352-H356 PolarHBondContact O-N 3.39Å; E353-H356 PolarHBondContact O-N 2.81Å
357	T	84.6	Confident	81.2	Confident	47 Å²	47	65.8 Å²	65.8	29%	0.288	34%	0.338	S	S	.	.	H	α-helix	trans	-74.8	-38	178	-56.4	0	0	0	0	111.7	T341 A343 Y345 E353 Q354 Y355	T341-T357 HydrophobicContact CG2-CG2 3.88Å; A343-T357 HydrophobicContact CB-CG2 4.03Å; Y345-T357 HydrophobicContact CE1-CG2 4.48Å; E353-T357 VanDerWaalsContact O-CB 3.28Å; E353-T357 WeakPolarHBondContact O-CB 3.39Å; E353-T357 PolarHBondContact O-N 2.86Å; E353-T357 PolarHBondContact O-OG1 3.5Å; Q354-T357 PolarHBondContact O-N 3.06Å; Y355-T357 VanDerWaalsContact C-N 3.25Å; Y355-T357 PolarHBondContact O-N 3.16Å
358	T	87.4	Confident	81.4	Confident	1 Å²	1	62.1 Å²	62.1	1%	0.006	33%	0.326	C	S	.	.	H	α-helix	trans	-83.6	-43.9	-177.4	-52.1	0	0	0	0	112.1	Y345 Q354 Y355 S361 F364 H374 F377 L378	Y345-T358 PolarHBondContact OH-OG1 3.32Å; Q354-T358 VanDerWaalsContact O-CB 3.31Å; Q354-T358 WeakPolarHBondContact O-CB 3.26Å; Q354-T358 PolarHBondContact O-N 2.89Å; Q354-T358 PolarHBondContact O-OG1 3.33Å; Y355-T358 PolarHBondContact O-N 3.47Å; T358-S361 WeakPolarHBondContact O-CB 3.34Å; T358-S361 PolarHBondContact O-N 3.46Å; T358-S361 PolarHBondContact O-OG 3.36Å; T358-F364 HydrophobicContact CG2-CD2 3.96Å; T358-F364 HydrophobicContact CG2-CE2 3.82Å; T358-H374 HydrophobicContact CG2-CB 3.93Å; T358-H374 WeakPolarHBondContact CG2-O 3.47Å; T358-F377 HydrophobicContact CG2-CB 3.96Å; T358-L378 HydrophobicContact CG2-CD2 3.54Å; T358-L378 HydrophobicContact CG2-CG 3.98Å
359	H	86.2	Confident	81.1	Confident	62 Å²	62	62.4 Å²	62.4	29%	0.287	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.2	136.9	-176.1	-176.4	65.7	0	0	0	110.5	Y355 S361 F377	Y355-H359 HydrophobicContact CD1-CB 4.23Å; Y355-H359 HydrophobicContact CD2-CB 4.33Å; Y355-H359 HydrophobicContact CE1-CB 3.97Å; Y355-H359 AromaticContact CE1-CD2 3.91Å; Y355-H359 AromaticContact CE1-CG 3.88Å; Y355-H359 HydrophobicContact CE2-CB 4.08Å; Y355-H359 HydrophobicContact CG-CB 4.4Å; Y355-H359 AromaticContact CZ-CD2 3.85Å; Y355-H359 AromaticContact CZ-CG 3.56Å; Y355-H359 AromaticContact CZ-ND1 3.73Å; Y355-H359 WeakPolarHBondContact O-CA 3.4Å; Y355-H359 WeakPolarHBondContact O-CB 3.48Å; Y355-H359 PolarHBondContact O-N 3.35Å; Y355-H359 PolarHBondContact OH-CE1 2.81Å; Y355-H359 VanDerWaalsContact OH-CE1 3.28Å; Y355-H359 PolarHBondContact OH-ND1 2.82Å; Y355-H359 PolarHBondContact OH-NE2 3.45Å; H359-S361 VanDerWaalsContact C-N 3.28Å; H359-S361 PolarHBondContact O-N 3.2Å; H359-F377 WeakPolarHBondContact CA-O 3.48Å; H359-F377 PolarHBondContact ND1-O 2.92Å
360	N	83.6	Confident	80.7	Confident	102 Å²	102	64.7 Å²	64.7	55%	0.545	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	67	16.9	-170.6	-54.3	-45.5	0	0	0	115.8	D362	N360-D362 PolarHBondContact O-N 3.17Å
361	S	88.8	Confident	80	Confident	29 Å²	29	63.4 Å²	63.4	20%	0.203	34%	0.34	C	S	.	.			trans	-72.5	122.1	166.1	-63.1	0	0	0	0	110.5	T358 H359 I363 A382	T358-S361 WeakPolarHBondContact O-CB 3.34Å; T358-S361 PolarHBondContact O-N 3.46Å; T358-S361 PolarHBondContact O-OG 3.36Å; H359-S361 VanDerWaalsContact C-N 3.28Å; H359-S361 PolarHBondContact O-N 3.2Å; S361-I363 VanDerWaalsContact C-N 3.34Å; S361-A382 VanDerWaalsContact O-CB 3.28Å; S361-A382 WeakPolarHBondContact O-CB 3.42Å
362	D	88.3	Confident	79.4	Confident	111 Å²	111	61.3 Å²	61.3	59%	0.594	33%	0.329	S	S	*	.	S	Bend	trans	-71	-33.1	172.4	-60.9	-58.4	0	0	0	112	N360 A382 A383	N360-D362 PolarHBondContact O-N 3.17Å; D362-A382 WeakPolarHBondContact O-CA 3.37Å; D362-A383 PolarHBondContact O-N 3.47Å
363	I	85.5	Confident	78.8	Confident	76 Å²	76	60.2 Å²	60.2	39%	0.39	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	122.4	180	-60.9	175.6	0	0	0	108	F338 S361 M365 A383 F385	F338-I363 HydrophobicContact CE1-CD1 3.89Å; S361-I363 VanDerWaalsContact C-N 3.34Å; I363-M365 HydrophobicContact CG2-CG 3.95Å; I363-M365 HydrophobicContact CG2-SD 4.41Å; I363-A383 CarbonylContact C-O 3.55Å; I363-A383 WeakPolarHBondContact CA-O 3.25Å; I363-A383 HydrophobicContact CG1-CB 4.5Å; I363-F385 HydrophobicContact CG2-CD2 3.63Å; I363-F385 HydrophobicContact CG2-CE2 3.59Å
364	F	84.6	Confident	78.8	Confident	19 Å²	19	55.6 Å²	55.6	8%	0.083	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	125.6	178.2	-174.9	-97.8	0	0	0	110.2	T358 G371 H374 L378 A383 V384 F385	T358-F364 HydrophobicContact CG2-CD2 3.96Å; T358-F364 HydrophobicContact CG2-CE2 3.82Å; F364-G371 WeakPolarHBondContact CE1-O 3.37Å; F364-H374 HydrophobicContact CE1-CB 4.48Å; F364-H374 HydrophobicContact CE2-CB 4.18Å; F364-H374 HydrophobicContact CZ-CB 3.73Å; F364-L378 HydrophobicContact CB-CD1 3.53Å; F364-L378 HydrophobicContact CB-CD2 3.73Å; F364-L378 HydrophobicContact CB-CG 4.28Å; F364-L378 HydrophobicContact CD1-CD1 3.99Å; F364-L378 HydrophobicContact CD2-CD1 4.49Å; F364-L378 HydrophobicContact CD2-CD2 4.01Å; F364-L378 HydrophobicContact CG-CD1 3.76Å; F364-L378 HydrophobicContact CG-CD2 3.98Å; F364-L378 HydrophobicContact CG-CG 4.39Å; F364-A383 PolarHBondContact N-O 3.01Å; F364-V384 HydrophobicContact CB-CG2 4.46Å; F364-V384 HydrophobicContact CD1-CG1 4.29Å; F364-V384 CarbonylContact O-C 3.41Å; F364-V384 WeakPolarHBondContact O-CA 3.47Å; F364-F385 PolarHBondContact O-N 2.85Å
365	M	77.3	Confident	78.5	Confident	71 Å²	71	57.3 Å²	57.3	35%	0.35	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	107.9	-174.3	-54.5	-172.8	75.2	0	0	110.2	L327 L332 I363 F385	L327-M365 HydrophobicContact CD1-CE 3.43Å; L327-M365 VanDerWaalsContact CD1-CE 3.43Å; L327-M365 HydrophobicContact CD2-CE 3.6Å; L327-M365 HydrophobicContact CD2-SD 3.85Å; L327-M365 HydrophobicContact CG-CE 3.84Å; L332-M365 HydrophobicContact CD1-SD 4.27Å; I363-M365 HydrophobicContact CG2-CG 3.95Å; I363-M365 HydrophobicContact CG2-SD 4.41Å; M365-F385 CarbonylContact C-O 3.58Å; M365-F385 VanDerWaalsContact CA-O 3.27Å; M365-F385 WeakPolarHBondContact CA-O 3.17Å; M365-F385 HydrophobicContact CE-CB 4.18Å; M365-F385 HydrophobicContact CG-CB 4.25Å; M365-F385 HydrophobicContact CG-CD2 4.4Å
366	G	73.8	Confident	78.4	Confident	6 Å²	6	62.3 Å²	62.3	6%	0.062	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	147.2	174.3	0	0	0	0	0	112.3	F385 E386 T387	G366-F385 PolarHBondContact N-O 3.41Å; G366-E386 CarbonylContact O-C 3.55Å; G366-E386 WeakPolarHBondContact O-CA 3.36Å; G366-T387 PolarHBondContact O-N 3.26Å; G366-T387 PolarHBondContact O-OG1 3.39Å
367	V	68.8	Low	78.4	Confident	46 Å²	46	58.7 Å²	58.7	28%	0.279	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	118.4	167.8	-179.3	0	0	0	0	108	G369 S370 T387 I390	V367-G369 PolarHBondContact O-N 3.35Å; V367-S370 PolarHBondContact N-OG 2.93Å; V367-S370 WeakPolarHBondContact O-CB 3.07Å; V367-S370 PolarHBondContact O-N 2.66Å; V367-S370 VanDerWaalsContact O-N 3.09Å; V367-S370 PolarHBondContact O-OG 2.77Å; V367-T387 CarbonylContact C-O 3.59Å; V367-T387 VanDerWaalsContact CA-O 3.29Å; V367-T387 WeakPolarHBondContact CA-O 3.41Å; V367-I390 HydrophobicContact CG1-CG1 3.89Å
368	H	66.4	Low	78.5	Confident	76 Å²	76	57.5 Å²	57.5	35%	0.352	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	47.7	-127.3	-164.7	-64.2	-69.6	0	0	0	109.9	E386 T387 G388	H368-E386 WeakPolarHBondContact CA-OE1 2.99Å; H368-E386 WeakPolarHBondContact O-CG 3.35Å; H368-E386 VanDerWaalsContact O-OE1 3.06Å; H368-T387 PolarHBondContact N-O 3.46Å; H368-G388 PolarHBondContact CE1-O 2.82Å; H368-G388 VanDerWaalsContact CE1-O 3.32Å; H368-G388 PolarHBondContact NE2-O 2.75Å
369	G	63.2	Low	78.4	Confident	39 Å²	39	58.3 Å²	58.3	40%	0.402	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89	5	179	0	0	0	0	0	116.5	V367 G371 L372	V367-G369 PolarHBondContact O-N 3.35Å; G369-G371 PolarHBondContact O-N 3.08Å; G369-G371 VanDerWaalsContact O-N 3.16Å; G369-L372 WeakPolarHBondContact O-CG 3.5Å; G369-L372 PolarHBondContact O-N 2.82Å
370	S	65.8	Low	78.3	Confident	78 Å²	78	63.5 Å²	63.5	55%	0.545	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-25.7	-168	66.3	0	0	0	0	114.6	V367	V367-S370 PolarHBondContact N-OG 2.93Å; V367-S370 WeakPolarHBondContact O-CB 3.07Å; V367-S370 PolarHBondContact O-N 2.66Å; V367-S370 VanDerWaalsContact O-N 3.09Å; V367-S370 PolarHBondContact O-OG 2.77Å
371	G	69.4	Low	78.2	Confident	6 Å²	6	67.1 Å²	67.1	6%	0.062	35%	0.354	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.2	-0.9	-177.1	0	0	0	0	0	115.4	F364 G369 T373 H374	F364-G371 WeakPolarHBondContact CE1-O 3.37Å; G369-G371 PolarHBondContact O-N 3.08Å; G369-G371 VanDerWaalsContact O-N 3.16Å; G371-T373 PolarHBondContact O-N 3.43Å; G371-H374 PolarHBondContact O-N 3.36Å; G371-H374 VanDerWaalsContact O-N 3.12Å
372	L	69	Low	78.1	Confident	60 Å²	60	66.8 Å²	66.8	31%	0.314	35%	0.352	S	S	.	.	G	3₁₀ helix	trans	-62.5	-41.9	-170	-66.3	179.5	0	0	0	113.1	Y242 G369 H374 M375	Y242-L372 HydrophobicContact CD1-CD2 4.3Å; Y242-L372 HydrophobicContact CD2-CD2 3.29Å; Y242-L372 HydrophobicContact CE1-CD2 4.06Å; Y242-L372 HydrophobicContact CE2-CD2 3.01Å; Y242-L372 HydrophobicContact CE2-CG 4.45Å; Y242-L372 HydrophobicContact CG-CD2 3.94Å; Y242-L372 VanDerWaalsContact CZ-CD2 3.41Å; G369-L372 WeakPolarHBondContact O-CG 3.5Å; G369-L372 PolarHBondContact O-N 2.82Å; L372-H374 PolarHBondContact O-N 3.01Å; L372-M375 WeakPolarHBondContact O-CG 3.45Å; L372-M375 PolarHBondContact O-N 3.33Å
373	T	74.8	Confident	77.7	Confident	91 Å²	91	63.5 Å²	63.5	56%	0.558	34%	0.341	S	S	*	.	G	3₁₀ helix	trans	-67.2	-25.5	178.5	42.3	0	0	0	0	112.8	G371 M375 F376	G371-T373 PolarHBondContact O-N 3.43Å; T373-M375 VanDerWaalsContact C-N 3.33Å; T373-F376 VanDerWaalsContact O-CD2 3.3Å; T373-F376 WeakPolarHBondContact O-CD2 3.38Å
374	H	82.2	Confident	77.2	Confident	9 Å²	9	62.1 Å²	62.1	4%	0.042	34%	0.336	C	S	.	.	G	3₁₀ helix	trans	-83.5	-11.7	-175.2	-59.8	79.8	0	0	0	112.7	Y345 Q354 T358 F364 G371 L372 F376 F377	Y345-H374 AromaticContact CD2-CD2 3.64Å; Y345-H374 AromaticContact CD2-CE1 3.28Å; Y345-H374 WeakPolarHBondContact CD2-CE1 3.36Å; Y345-H374 AromaticContact CD2-ND1 3.84Å; Y345-H374 AromaticContact CD2-NE2 3.15Å; Y345-H374 WeakPolarHBondContact CD2-NE2 3.35Å; Y345-H374 HydrophobicContact CE2-CB 4.48Å; Y345-H374 AromaticContact CE2-CD2 3.28Å; Y345-H374 WeakPolarHBondContact CE2-CD2 3.36Å; Y345-H374 AromaticContact CE2-CE1 3.73Å; Y345-H374 AromaticContact CE2-CG 3.64Å; Y345-H374 AromaticContact CE2-ND1 3.94Å; Y345-H374 AromaticContact CE2-NE2 3.35Å; Y345-H374 WeakPolarHBondContact CE2-NE2 3.2Å; Y345-H374 AromaticContact CG-NE2 3.74Å; Y345-H374 AromaticContact CZ-CD2 3.88Å; Q354-H374 PolarHBondContact OE1-NE2 3Å; T358-H374 HydrophobicContact CG2-CB 3.93Å; T358-H374 WeakPolarHBondContact CG2-O 3.47Å; F364-H374 HydrophobicContact CE1-CB 4.48Å; F364-H374 HydrophobicContact CE2-CB 4.18Å; F364-H374 HydrophobicContact CZ-CB 3.73Å; G371-H374 PolarHBondContact O-N 3.36Å; G371-H374 VanDerWaalsContact O-N 3.12Å; L372-H374 PolarHBondContact O-N 3.01Å; H374-F376 PolarHBondContact O-N 3.31Å; H374-F376 VanDerWaalsContact O-N 3.14Å; H374-F377 HydrophobicContact CB-CD2 4.26Å; H374-F377 WeakPolarHBondContact O-CB 3.42Å; H374-F377 PolarHBondContact O-N 3.24Å
375	M	79.2	Confident	76.6	Confident	73 Å²	73	64.2 Å²	64.2	36%	0.36	35%	0.345	S	S	.	.	G	3₁₀ helix	trans	-55.2	-31.8	173.6	-67	178.5	81	0	0	113.5	Y242 L372 T373 F377 L378 V384	Y242-M375 HydrophobicContact CE2-SD 4.17Å; Y242-M375 WeakPolarHBondContact OH-CE 3.39Å; Y242-M375 PolarHBondContact OH-SD 3.33Å; L372-M375 WeakPolarHBondContact O-CG 3.45Å; L372-M375 PolarHBondContact O-N 3.33Å; T373-M375 VanDerWaalsContact C-N 3.33Å; M375-F377 PolarHBondContact O-N 3.43Å; M375-L378 HydrophobicContact CB-CD1 4.48Å; M375-L378 HydrophobicContact CG-CD1 4.44Å; M375-L378 WeakPolarHBondContact O-CB 3.32Å; M375-L378 PolarHBondContact O-N 3.14Å; M375-V384 HydrophobicContact CE-CG2 4.24Å
376	F	81.6	Confident	76	Confident	184 Å²	184	61.5 Å²	61.5	81%	0.807	33%	0.331	S	S	*	.	G	3₁₀ helix	trans	-57.8	-21.4	176.2	-70.8	-66.6	0	0	0	113	T373 H374	T373-F376 VanDerWaalsContact O-CD2 3.3Å; T373-F376 WeakPolarHBondContact O-CD2 3.38Å; H374-F376 PolarHBondContact O-N 3.31Å; H374-F376 VanDerWaalsContact O-N 3.14Å
377	F	85.4	Confident	75.4	Confident	46 Å²	46	61.4 Å²	61.4	20%	0.202	33%	0.33	C	S	.	.	G	3₁₀ helix	trans	-96.2	-8.1	-179.6	-47.9	-41.8	0	0	0	113.1	L351 Y355 T358 H359 H374 M375	L351-F377 HydrophobicContact CD1-CE2 4.29Å; L351-F377 HydrophobicContact CD1-CZ 3.87Å; Y355-F377 HydrophobicContact CD2-CB 3.83Å; Y355-F377 AromaticContact CD2-CD1 3.52Å; Y355-F377 HydrophobicContact CD2-CD1 3.52Å; Y355-F377 HydrophobicContact CD2-CE1 4.22Å; Y355-F377 AromaticContact CD2-CG 3.72Å; Y355-F377 HydrophobicContact CD2-CG 3.72Å; Y355-F377 HydrophobicContact CE2-CB 4.23Å; Y355-F377 HydrophobicContact CE2-CD1 4.12Å; Y355-F377 HydrophobicContact CE2-CG 4.45Å; T358-F377 HydrophobicContact CG2-CB 3.96Å; H359-F377 WeakPolarHBondContact CA-O 3.48Å; H359-F377 PolarHBondContact ND1-O 2.92Å; H374-F377 HydrophobicContact CB-CD2 4.26Å; H374-F377 WeakPolarHBondContact O-CB 3.42Å; H374-F377 PolarHBondContact O-N 3.24Å; M375-F377 PolarHBondContact O-N 3.43Å
378	L	86.9	Confident	74.7	Confident	23 Å²	23	59.9 Å²	59.9	12%	0.12	32%	0.323	C	S	.	.	S	Bend	trans	-78.2	143.9	-179.4	-65.4	176.3	0	0	0	111.1	T358 F364 M375 A382 V384	T358-L378 HydrophobicContact CG2-CD2 3.54Å; T358-L378 HydrophobicContact CG2-CG 3.98Å; F364-L378 HydrophobicContact CB-CD1 3.53Å; F364-L378 HydrophobicContact CB-CD2 3.73Å; F364-L378 HydrophobicContact CB-CG 4.28Å; F364-L378 HydrophobicContact CD1-CD1 3.99Å; F364-L378 HydrophobicContact CD2-CD1 4.49Å; F364-L378 HydrophobicContact CD2-CD2 4.01Å; F364-L378 HydrophobicContact CG-CD1 3.76Å; F364-L378 HydrophobicContact CG-CD2 3.98Å; F364-L378 HydrophobicContact CG-CG 4.39Å; M375-L378 HydrophobicContact CB-CD1 4.48Å; M375-L378 HydrophobicContact CG-CD1 4.44Å; M375-L378 WeakPolarHBondContact O-CB 3.32Å; M375-L378 PolarHBondContact O-N 3.14Å; L378-A382 HydrophobicContact CB-CB 3.96Å; L378-A382 HydrophobicContact CD1-CB 4.39Å; L378-A382 HydrophobicContact CD2-CB 4.32Å; L378-A382 HydrophobicContact CG-CB 4.46Å; L378-V384 HydrophobicContact CD1-CG2 3.53Å
379	P	86.2	Confident	74	Confident	18 Å²	18	60.8 Å²	60.8	12%	0.117	32%	0.324	C	S	.	.			trans	-71.8	157.4	170.8	31.2	-34.7	0	0	0	111.6	W381 A382	P379-W381 HydrophobicContact CB-CD2 3.72Å; P379-W381 HydrophobicContact CB-CE3 3.98Å; P379-W381 HydrophobicContact CB-CG 4.4Å; P379-W381 HydrophobicContact CB-CH2 3.68Å; P379-W381 HydrophobicContact CB-CZ2 3.39Å; P379-W381 HydrophobicContact CB-CZ3 3.96Å; P379-W381 HydrophobicContact CG-CD2 4.13Å; P379-W381 HydrophobicContact CG-CG 4.43Å; P379-W381 HydrophobicContact CG-CZ2 3.81Å; P379-W381 PolarHBondContact O-N 3.33Å; P379-A382 HydrophobicContact CG-CB 4.09Å; P379-A382 VanDerWaalsContact O-CB 3.24Å; P379-A382 WeakPolarHBondContact O-CB 3.14Å; P379-A382 PolarHBondContact O-N 2.76Å
380	D	83	Confident	73.1	Confident	170 Å²	170	64.2 Å²	64.2	91%	0.909	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.2	-23.4	-176.8	-65.7	-18.9	0	0	0	114.5
381	W	83.1	Confident	72.1	Confident	179 Å²	179	64.1 Å²	64.1	68%	0.678	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.2	-3.5	178.4	58.6	81.2	0	0	0	114.1	P379	P379-W381 HydrophobicContact CB-CD2 3.72Å; P379-W381 HydrophobicContact CB-CE3 3.98Å; P379-W381 HydrophobicContact CB-CG 4.4Å; P379-W381 HydrophobicContact CB-CH2 3.68Å; P379-W381 HydrophobicContact CB-CZ2 3.39Å; P379-W381 HydrophobicContact CB-CZ3 3.96Å; P379-W381 HydrophobicContact CG-CD2 4.13Å; P379-W381 HydrophobicContact CG-CG 4.43Å; P379-W381 HydrophobicContact CG-CZ2 3.81Å; P379-W381 PolarHBondContact O-N 3.33Å
382	A	85.3	Confident	70.7	Confident	21 Å²	21	65.1 Å²	65.1	17%	0.174	34%	0.338	C	S	.	.			trans	-70.6	140.2	-178.5	0	0	0	0	0	111.9	S361 D362 L378 P379	S361-A382 VanDerWaalsContact O-CB 3.28Å; S361-A382 WeakPolarHBondContact O-CB 3.42Å; D362-A382 WeakPolarHBondContact O-CA 3.37Å; L378-A382 HydrophobicContact CB-CB 3.96Å; L378-A382 HydrophobicContact CD1-CB 4.39Å; L378-A382 HydrophobicContact CD2-CB 4.32Å; L378-A382 HydrophobicContact CG-CB 4.46Å; P379-A382 HydrophobicContact CG-CB 4.09Å; P379-A382 VanDerWaalsContact O-CB 3.24Å; P379-A382 WeakPolarHBondContact O-CB 3.14Å; P379-A382 PolarHBondContact O-N 2.76Å
383	A	80.1	Confident	69.4	Low	43 Å²	43	66.8 Å²	66.8	36%	0.355	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	130.5	171.7	0	0	0	0	0	110.7	D362 I363 F364 F385	D362-A383 PolarHBondContact O-N 3.47Å; I363-A383 CarbonylContact C-O 3.55Å; I363-A383 WeakPolarHBondContact CA-O 3.25Å; I363-A383 HydrophobicContact CG1-CB 4.5Å; F364-A383 PolarHBondContact N-O 3.01Å; A383-F385 HydrophobicContact CB-CE2 3.85Å; A383-F385 HydrophobicContact CB-CZ 4.44Å
384	V	75.3	Confident	67.9	Low	47 Å²	47	70.7 Å²	70.7	29%	0.285	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	134.3	179.8	-176.9	0	0	0	0	111.2	Y242 F364 M375 L378	Y242-V384 HydrophobicContact CE1-CG1 4.15Å; F364-V384 HydrophobicContact CB-CG2 4.46Å; F364-V384 HydrophobicContact CD1-CG1 4.29Å; F364-V384 CarbonylContact O-C 3.41Å; F364-V384 WeakPolarHBondContact O-CA 3.47Å; M375-V384 HydrophobicContact CE-CG2 4.24Å; L378-V384 HydrophobicContact CD1-CG2 3.53Å
385	F	71.2	Confident	66.2	Low	62 Å²	62	78.3 Å²	78.3	27%	0.272	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	134.4	174.3	-59.8	-96.5	0	0	0	109.6	Y322 I363 F364 M365 G366 A383	Y322-F385 HydrophobicContact CD1-CD1 4.02Å; Y322-F385 HydrophobicContact CD1-CE1 4.42Å; Y322-F385 AromaticContact CE1-CD1 3.95Å; Y322-F385 HydrophobicContact CE1-CD1 3.95Å; Y322-F385 AromaticContact CE1-CE1 3.88Å; Y322-F385 HydrophobicContact CE1-CE1 3.88Å; I363-F385 HydrophobicContact CG2-CD2 3.63Å; I363-F385 HydrophobicContact CG2-CE2 3.59Å; F364-F385 PolarHBondContact O-N 2.85Å; M365-F385 CarbonylContact C-O 3.58Å; M365-F385 VanDerWaalsContact CA-O 3.27Å; M365-F385 WeakPolarHBondContact CA-O 3.17Å; M365-F385 HydrophobicContact CE-CB 4.18Å; M365-F385 HydrophobicContact CG-CB 4.25Å; M365-F385 HydrophobicContact CG-CD2 4.4Å; G366-F385 PolarHBondContact N-O 3.41Å; A383-F385 HydrophobicContact CB-CE2 3.85Å; A383-F385 HydrophobicContact CB-CZ 4.44Å
386	E	64.6	Low	64.7	Low	14 Å²	14	78.3 Å²	78.3	7%	0.065	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	138.8	166.5	175.3	174.9	171.3	0	0	109.2	Y242 G366 H368	Y242-E386 WeakPolarHBondContact CB-OE2 3.44Å; Y242-E386 HydrophobicContact CD1-CB 3.93Å; Y242-E386 WeakPolarHBondContact CD1-OE2 3.05Å; Y242-E386 HydrophobicContact CE1-CB 4.39Å; Y242-E386 VanDerWaalsContact CG-OE2 3.25Å; G366-E386 CarbonylContact O-C 3.55Å; G366-E386 WeakPolarHBondContact O-CA 3.36Å; H368-E386 WeakPolarHBondContact CA-OE1 2.99Å; H368-E386 WeakPolarHBondContact O-CG 3.35Å; H368-E386 VanDerWaalsContact O-OE1 3.06Å
387	T	62.4	Low	63.4	Low	4 Å²	4	73 Å²	73	3%	0.025	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	140.7	174	65	0	0	0	0	111.2	L327 G366 V367 H368 Y389	L327-T387 HydrophobicContact CD1-CG2 3.26Å; G366-T387 PolarHBondContact O-N 3.26Å; G366-T387 PolarHBondContact O-OG1 3.39Å; V367-T387 CarbonylContact C-O 3.59Å; V367-T387 VanDerWaalsContact CA-O 3.29Å; V367-T387 WeakPolarHBondContact CA-O 3.41Å; H368-T387 PolarHBondContact N-O 3.46Å; T387-Y389 VanDerWaalsContact C-N 3.33Å
388	G	53.8	Low	62.1	Low	14 Å²	14	76.9 Å²	76.9	14%	0.144	39%	0.393	C	S	.	.			trans	-88.1	7.5	-179.2	0	0	0	0	0	114.7	F323 H368	F323-G388 WeakPolarHBondContact O-CA 3.31Å; F323-G388 PolarHBondContact O-N 3.45Å; H368-G388 PolarHBondContact CE1-O 2.82Å; H368-G388 VanDerWaalsContact CE1-O 3.32Å; H368-G388 PolarHBondContact NE2-O 2.75Å
389	Y	50.9	Low	60.4	Low	96 Å²	96	80.4 Å²	80.4	38%	0.376	41%	0.409	S	S	.	.			trans	-108.5	112.9	-176.4	-165.2	-95	0	0	0	111.3	T387	T387-Y389 VanDerWaalsContact C-N 3.33Å
390	I	46	Very low	58.9	Low	111 Å²	111	80.6 Å²	80.6	57%	0.569	41%	0.41	S	S	*	.	P	Polyproline II helix	trans	-72.7	125.7	165.3	-54.7	170.5	0	0	0	107	V367 A392	V367-I390 HydrophobicContact CG1-CG1 3.89Å; I390-A392 PolarHBondContact O-N 3.06Å
391	P	42.9	Very low	57.8	Low	75 Å²	75	75.4 Å²	75.4	49%	0.487	39%	0.385	S	S	.	.	P	Polyproline II helix	trans	-50.2	129.1	169.9	-22.1	31.8	0	0	0	109	D393	P391-D393 PolarHBondContact O-N 3.07Å
392	A	39.9	Very low	57.1	Low	28 Å²	28	70 Å²	70	23%	0.231	37%	0.372	C	S	.	.	P	Polyproline II helix	trans	-47.3	116.8	-174.6	0	0	0	0	0	110.5	I390 V400 L408	I390-A392 PolarHBondContact O-N 3.06Å; A392-V400 HydrophobicContact CB-CG2 4.11Å; A392-L408 HydrophobicContact CB-CD1 4.32Å
393	D	42.2	Very low	56	Low	94 Å²	94	69.9 Å²	69.9	50%	0.503	37%	0.367	S	S	.	.	P	Polyproline II helix	trans	-51	137	-177.8	-160.2	-17	0	0	0	110.5	P391 E395 N396 W397	P391-D393 PolarHBondContact O-N 3.07Å; D393-E395 PolarHBondContact O-N 2.95Å; D393-N396 PolarHBondContact O-N 3.22Å; D393-W397 PolarHBondContact O-N 3.38Å
394	H	43.9	Very low	55.1	Low	174 Å²	174	70.4 Å²	70.4	81%	0.806	36%	0.36	S	S	*	.	G	3₁₀ helix	trans	-54.7	-28.2	-176.8	-103.1	-77.7	0	0	0	111.7	N396 W397	H394-N396 VanDerWaalsContact C-N 3.34Å; H394-N396 PolarHBondContact O-N 3.33Å; H394-W397 PolarHBondContact O-N 3.2Å
395	E	45.5	Very low	54.4	Low	168 Å²	168	71 Å²	71	79%	0.785	36%	0.357	S	S	*	.	G	3₁₀ helix	trans	-65.6	-30.5	178.8	-63.5	-169	162.4	0	0	114.1	D393	D393-E395 PolarHBondContact O-N 2.95Å
396	N	48.3	Very low	54	Low	74 Å²	74	74.6 Å²	74.6	40%	0.396	37%	0.369	S	S	.	.	G	3₁₀ helix	trans	-108.2	10.6	-178.2	-75.1	-39.6	0	0	0	113.4	D393 H394 D398 Q399 V400	D393-N396 PolarHBondContact O-N 3.22Å; H394-N396 VanDerWaalsContact C-N 3.34Å; H394-N396 PolarHBondContact O-N 3.33Å; N396-D398 PolarHBondContact O-N 2.95Å; N396-D398 VanDerWaalsContact O-N 3.14Å; N396-Q399 WeakPolarHBondContact O-CB 3.18Å; N396-Q399 PolarHBondContact O-N 3.22Å; N396-Q399 PolarHBondContact OD1-NE2 3.11Å; N396-V400 PolarHBondContact O-N 3.16Å
397	W	55.3	Low	53.4	Low	73 Å²	73	74.5 Å²	74.5	28%	0.277	37%	0.368	S	S	.	.	G	3₁₀ helix	trans	-52	-41.2	-177.4	-174	-113.5	0	0	0	112.5	D393 H394 Q399 V400 R405 L408	D393-W397 PolarHBondContact O-N 3.38Å; H394-W397 PolarHBondContact O-N 3.2Å; W397-Q399 VanDerWaalsContact C-N 3.28Å; W397-Q399 PolarHBondContact O-N 2.82Å; W397-V400 WeakPolarHBondContact O-CB 3.4Å; W397-V400 PolarHBondContact O-N 2.69Å; W397-R405 HydrophobicContact CD2-CG 3.94Å; W397-R405 HydrophobicContact CE3-CG 4.31Å; W397-R405 HydrophobicContact CG-CG 4.5Å; W397-R405 HydrophobicContact CH2-CB 4.11Å; W397-R405 HydrophobicContact CH2-CG 4.13Å; W397-R405 WeakPolarHBondContact CH2-O 3.11Å; W397-R405 HydrophobicContact CZ2-CB 3.67Å; W397-R405 HydrophobicContact CZ2-CG 3.73Å; W397-R405 HydrophobicContact CZ3-CG 4.4Å; W397-R405 WeakPolarHBondContact O-CD 3.49Å; W397-R405 PolarHBondContact O-NE 3.48Å; W397-L408 HydrophobicContact CH2-CB 3.89Å; W397-L408 HydrophobicContact CZ3-CB 4.01Å; W397-L408 HydrophobicContact CZ3-CD1 4.25Å
398	D	57.9	Low	53.1	Low	126 Å²	126	75.8 Å²	75.8	67%	0.674	38%	0.375	S	S	*	.	G	3₁₀ helix	trans	-71.6	-19.2	-179.5	-74	-38.9	0	0	0	114.7	N396 R405	N396-D398 PolarHBondContact O-N 2.95Å; N396-D398 VanDerWaalsContact O-N 3.14Å; D398-R405 PolarHBondContact O-NH2 3.43Å; D398-R405 IonicContact OD1-CZ 2.87Å; D398-R405 IonicContact OD1-NH1 3.81Å; D398-R405 PolarHBondContact OD1-NH1 3.35Å
399	Q	50.5	Low	53.4	Low	97 Å²	97	77.4 Å²	77.4	45%	0.453	38%	0.384	S	S	.	.	G	3₁₀ helix	trans	-81.6	-18.4	175.6	-55.6	-174.1	14.4	0	0	112.5	N396 W397 P468	N396-Q399 WeakPolarHBondContact O-CB 3.18Å; N396-Q399 PolarHBondContact O-N 3.22Å; N396-Q399 PolarHBondContact OD1-NE2 3.11Å; W397-Q399 VanDerWaalsContact C-N 3.28Å; W397-Q399 PolarHBondContact O-N 2.82Å; Q399-P468 HydrophobicContact CB-CB 4.23Å; Q399-P468 PolarHBondContact OE1-O 3.2Å
400	V	54.1	Low	53.5	Low	23 Å²	23	74.8 Å²	74.8	14%	0.139	39%	0.386	C	S	.	.	S	Bend	trans	-71.1	127.8	175	179.9	0	0	0	0	108.8	A392 N396 W397 V402 W404 R405 L408	A392-V400 HydrophobicContact CB-CG2 4.11Å; N396-V400 PolarHBondContact O-N 3.16Å; W397-V400 WeakPolarHBondContact O-CB 3.4Å; W397-V400 PolarHBondContact O-N 2.69Å; V400-V402 PolarHBondContact O-N 2.84Å; V400-W404 HydrophobicContact CG1-CB 3.4Å; V400-R405 HydrophobicContact CB-CG 3.77Å; V400-R405 HydrophobicContact CG1-CG 3.86Å; V400-R405 PolarHBondContact O-NE 3.22Å; V400-L408 HydrophobicContact CG1-CD1 4.22Å
401	P	60.4	Low	54	Low	61 Å²	61	76.8 Å²	76.8	40%	0.396	39%	0.393	S	S	.	.			trans	-51.7	141.9	176.6	-24.4	31.9	0	0	0	111.2	E403 W404 R405	P401-E403 WeakPolarHBondContact CB-OE2 3.49Å; P401-E403 PolarHBondContact O-N 3.27Å; P401-W404 WeakPolarHBondContact O-CA 3.25Å; P401-W404 WeakPolarHBondContact O-CB 3.45Å; P401-W404 PolarHBondContact O-N 3.39Å; P401-R405 PolarHBondContact O-N 3.34Å
402	V	68.2	Low	54.4	Low	65 Å²	65	74.8 Å²	74.8	39%	0.394	38%	0.376	S	S	.	.	H	α-helix	trans	-55.9	-32.2	-170.2	175.6	0	0	0	0	112	V400 R405 R406	V400-V402 PolarHBondContact O-N 2.84Å; V402-R405 PolarHBondContact O-N 3.05Å; V402-R406 WeakPolarHBondContact O-CG 3.18Å; V402-R406 PolarHBondContact O-N 3.47Å
403	E	63	Low	54.7	Low	18 Å²	18	76.6 Å²	76.6	8%	0.084	38%	0.384	C	S	.	.	H	α-helix	trans	-66.4	-44.4	177.8	-48.4	74.1	-157.7	0	0	111.1	P401 R406 W407 R412 P416 E420 N424	P401-E403 WeakPolarHBondContact CB-OE2 3.49Å; P401-E403 PolarHBondContact O-N 3.27Å; E403-R406 PolarHBondContact O-N 3.29Å; E403-W407 PolarHBondContact O-N 2.86Å; E403-W407 VanDerWaalsContact O-N 3.16Å; E403-R412 VanDerWaalsContact O-CD 3.28Å; E403-R412 WeakPolarHBondContact O-CD 3.1Å; E403-P416 HydrophobicContact CB-CB 3.67Å; E403-P416 HydrophobicContact CB-CG 3.43Å; E403-P416 VanDerWaalsContact CB-CG 3.43Å; E403-E420 HydrophobicContact CG-CG 4.47Å; E403-N424 VanDerWaalsContact CD-ND2 3.28Å; E403-N424 WeakPolarHBondContact CG-ND2 3.49Å; E403-N424 WeakPolarHBondContact OE1-CB 3.17Å; E403-N424 PolarHBondContact OE1-ND2 2.86Å
404	W	59.9	Low	54.9	Low	54 Å²	54	74.7 Å²	74.7	21%	0.205	37%	0.374	C	S	.	.	H	α-helix	trans	-66.8	-42	175.7	-78.5	99.5	0	0	0	111.2	F318 V400 P401 R406 W407 L408 P416 I421	F318-W404 AromaticContact CZ-CH2 3.85Å; F318-W404 HydrophobicContact CZ-CH2 3.85Å; F318-W404 HydrophobicContact CZ-CZ2 4.29Å; V400-W404 HydrophobicContact CG1-CB 3.4Å; P401-W404 WeakPolarHBondContact O-CA 3.25Å; P401-W404 WeakPolarHBondContact O-CB 3.45Å; P401-W404 PolarHBondContact O-N 3.39Å; W404-R406 PolarHBondContact O-N 3.5Å; W404-W407 AromaticContact CE3-CE3 3.78Å; W404-W407 HydrophobicContact CE3-CE3 3.78Å; W404-W407 AromaticContact CE3-CZ3 3.92Å; W404-W407 HydrophobicContact CE3-CZ3 3.92Å; W404-W407 AromaticContact CZ3-CE3 3.76Å; W404-W407 HydrophobicContact CZ3-CE3 3.76Å; W404-W407 HydrophobicContact CZ3-CH2 4.19Å; W404-W407 AromaticContact CZ3-CZ3 3.47Å; W404-W407 HydrophobicContact CZ3-CZ3 3.47Å; W404-W407 VanDerWaalsContact CZ3-CZ3 3.47Å; W404-W407 PolarHBondContact O-N 3.14Å; W404-W407 VanDerWaalsContact O-N 3.09Å; W404-L408 WeakPolarHBondContact O-CB 3.26Å; W404-L408 VanDerWaalsContact O-CG 3.3Å; W404-L408 WeakPolarHBondContact O-CG 3.39Å; W404-L408 PolarHBondContact O-N 2.96Å; W404-P416 HydrophobicContact CD2-CG 4.12Å; W404-P416 HydrophobicContact CG-CG 4.11Å; W404-I421 HydrophobicContact CZ2-CD1 4.44Å
405	R	61.3	Low	55.2	Low	59 Å²	59	68.9 Å²	68.9	22%	0.223	35%	0.352	C	S	.	.	H	α-helix	trans	-58.1	-47.2	174.4	-79.8	-166.6	-94.4	177.2	-6	112.7	W397 D398 V400 P401 V402 W407 L408 S409	W397-R405 HydrophobicContact CD2-CG 3.94Å; W397-R405 HydrophobicContact CE3-CG 4.31Å; W397-R405 HydrophobicContact CG-CG 4.5Å; W397-R405 HydrophobicContact CH2-CB 4.11Å; W397-R405 HydrophobicContact CH2-CG 4.13Å; W397-R405 WeakPolarHBondContact CH2-O 3.11Å; W397-R405 HydrophobicContact CZ2-CB 3.67Å; W397-R405 HydrophobicContact CZ2-CG 3.73Å; W397-R405 HydrophobicContact CZ3-CG 4.4Å; W397-R405 WeakPolarHBondContact O-CD 3.49Å; W397-R405 PolarHBondContact O-NE 3.48Å; D398-R405 PolarHBondContact O-NH2 3.43Å; D398-R405 IonicContact OD1-CZ 2.87Å; D398-R405 IonicContact OD1-NH1 3.81Å; D398-R405 PolarHBondContact OD1-NH1 3.35Å; V400-R405 HydrophobicContact CB-CG 3.77Å; V400-R405 HydrophobicContact CG1-CG 3.86Å; V400-R405 PolarHBondContact O-NE 3.22Å; P401-R405 PolarHBondContact O-N 3.34Å; V402-R405 PolarHBondContact O-N 3.05Å; R405-W407 PolarHBondContact O-N 3.22Å; R405-L408 PolarHBondContact O-N 3.23Å; R405-S409 VanDerWaalsContact O-CB 3.28Å; R405-S409 WeakPolarHBondContact O-CB 3.48Å; R405-S409 PolarHBondContact O-N 2.9Å; R405-S409 PolarHBondContact O-OG 3.25Å
406	R	62.6	Low	55.5	Low	138 Å²	138	61.4 Å²	61.4	52%	0.521	32%	0.318	S	S	.	.	H	α-helix	trans	-59.4	-35	176.8	-75.9	176.6	178.2	-176.2	0.5	111.2	V402 E403 W404 S409 G410 Q411 R412	V402-R406 WeakPolarHBondContact O-CG 3.18Å; V402-R406 PolarHBondContact O-N 3.47Å; E403-R406 PolarHBondContact O-N 3.29Å; W404-R406 PolarHBondContact O-N 3.5Å; R406-S409 PolarHBondContact O-OG 3.41Å; R406-G410 PolarHBondContact O-N 3.3Å; R406-Q411 HydrophobicContact CB-CB 4.27Å; R406-Q411 HydrophobicContact CG-CB 4.44Å; R406-Q411 CarbonylContact O-C 3.54Å; R406-Q411 WeakPolarHBondContact O-CA 3.3Å; R406-Q411 WeakPolarHBondContact O-CB 3.45Å; R406-Q411 PolarHBondContact O-N 2.92Å; R406-R412 HydrophobicContact CB-CB 4.26Å; R406-R412 HydrophobicContact CB-CG 3.95Å; R406-R412 PolarHBondContact O-N 3.47Å
407	W	52.5	Low	55.9	Low	13 Å²	13	61.5 Å²	61.5	5%	0.049	32%	0.321	C	S	.	.	H	α-helix	trans	-78.4	-46.4	-178.5	-177.2	70.6	0	0	0	112.1	P326 I328 E403 W404 R405 S409 G410 R412 P415	P326-W407 HydrophobicContact CB-CH2 3.36Å; P326-W407 HydrophobicContact CB-CZ2 4.34Å; P326-W407 HydrophobicContact CB-CZ3 3.97Å; P326-W407 HydrophobicContact CG-CH2 3.49Å; P326-W407 VanDerWaalsContact CG-CH2 3.49Å; P326-W407 HydrophobicContact CG-CZ2 4.12Å; I328-W407 HydrophobicContact CD1-CD2 3.96Å; I328-W407 HydrophobicContact CD1-CH2 4.19Å; I328-W407 HydrophobicContact CD1-CZ2 3.5Å; I328-W407 HydrophobicContact CG1-CH2 4.26Å; I328-W407 HydrophobicContact CG1-CZ2 4.05Å; E403-W407 PolarHBondContact O-N 2.86Å; E403-W407 VanDerWaalsContact O-N 3.16Å; W404-W407 AromaticContact CE3-CE3 3.78Å; W404-W407 HydrophobicContact CE3-CE3 3.78Å; W404-W407 AromaticContact CE3-CZ3 3.92Å; W404-W407 HydrophobicContact CE3-CZ3 3.92Å; W404-W407 AromaticContact CZ3-CE3 3.76Å; W404-W407 HydrophobicContact CZ3-CE3 3.76Å; W404-W407 HydrophobicContact CZ3-CH2 4.19Å; W404-W407 AromaticContact CZ3-CZ3 3.47Å; W404-W407 HydrophobicContact CZ3-CZ3 3.47Å; W404-W407 VanDerWaalsContact CZ3-CZ3 3.47Å; W404-W407 PolarHBondContact O-N 3.14Å; W404-W407 VanDerWaalsContact O-N 3.09Å; R405-W407 PolarHBondContact O-N 3.22Å; W407-S409 VanDerWaalsContact C-N 3.31Å; W407-S409 PolarHBondContact O-N 2.91Å; W407-G410 PolarHBondContact O-N 3.31Å; W407-R412 HydrophobicContact CB-CG 3.52Å; W407-R412 HydrophobicContact CG-CG 4.22Å; W407-P415 HydrophobicContact CD2-CB 4.26Å; W407-P415 HydrophobicContact CH2-CB 4.3Å; W407-P415 HydrophobicContact CZ2-CB 3.76Å; W407-P415 HydrophobicContact CZ2-CG 4.29Å
408	L	55.5	Low	55.6	Low	31 Å²	31	63.3 Å²	63.3	16%	0.162	33%	0.333	C	S	.	.	H	α-helix	trans	-62.2	-37.1	176.9	-68.9	172.3	0	0	0	112.2	A392 W397 V400 W404 R405 G410	A392-L408 HydrophobicContact CB-CD1 4.32Å; W397-L408 HydrophobicContact CH2-CB 3.89Å; W397-L408 HydrophobicContact CZ3-CB 4.01Å; W397-L408 HydrophobicContact CZ3-CD1 4.25Å; V400-L408 HydrophobicContact CG1-CD1 4.22Å; W404-L408 WeakPolarHBondContact O-CB 3.26Å; W404-L408 VanDerWaalsContact O-CG 3.3Å; W404-L408 WeakPolarHBondContact O-CG 3.39Å; W404-L408 PolarHBondContact O-N 2.96Å; R405-L408 PolarHBondContact O-N 3.23Å; L408-G410 VanDerWaalsContact C-N 3.27Å; L408-G410 PolarHBondContact O-N 3.12Å
409	S	61.4	Low	55.7	Low	47 Å²	47	64.9 Å²	64.9	33%	0.329	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.9	-5.4	174	59.6	0	0	0	0	114.3	R405 R406 W407 Q411	R405-S409 VanDerWaalsContact O-CB 3.28Å; R405-S409 WeakPolarHBondContact O-CB 3.48Å; R405-S409 PolarHBondContact O-N 2.9Å; R405-S409 PolarHBondContact O-OG 3.25Å; R406-S409 PolarHBondContact O-OG 3.41Å; W407-S409 VanDerWaalsContact C-N 3.31Å; W407-S409 PolarHBondContact O-N 2.91Å; S409-Q411 VanDerWaalsContact C-N 3.28Å; S409-Q411 PolarHBondContact O-N 3.38Å; S409-Q411 WeakPolarHBondContact OG-CG 3.43Å
410	G	52.4	Low	56.1	Low	41 Å²	41	63 Å²	63	42%	0.423	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	75	7.2	-177.1	0	0	0	0	0	115.6	R406 W407 L408 R412	R406-G410 PolarHBondContact O-N 3.3Å; W407-G410 PolarHBondContact O-N 3.31Å; L408-G410 VanDerWaalsContact C-N 3.27Å; L408-G410 PolarHBondContact O-N 3.12Å; G410-R412 VanDerWaalsContact C-N 3.31Å
411	Q	56	Low	56.4	Low	154 Å²	154	63.4 Å²	63.4	72%	0.72	33%	0.328	S	S	*	.	S	Bend	trans	-68.8	-27.8	173.6	-65.8	179.6	-4.8	0	0	112.9	R406 S409	R406-Q411 HydrophobicContact CB-CB 4.27Å; R406-Q411 HydrophobicContact CG-CB 4.44Å; R406-Q411 CarbonylContact O-C 3.54Å; R406-Q411 WeakPolarHBondContact O-CA 3.3Å; R406-Q411 WeakPolarHBondContact O-CB 3.45Å; R406-Q411 PolarHBondContact O-N 2.92Å; S409-Q411 VanDerWaalsContact C-N 3.28Å; S409-Q411 PolarHBondContact O-N 3.38Å; S409-Q411 WeakPolarHBondContact OG-CG 3.43Å
412	R	51.5	Low	56.6	Low	33 Å²	33	66.7 Å²	66.7	13%	0.125	34%	0.338	C	S	.	.	S	Bend	trans	-119	168.9	164.8	77.6	-179.5	-78.6	166.4	3.8	110.6	E403 R406 W407 G410 D414 E420	E403-R412 VanDerWaalsContact O-CD 3.28Å; E403-R412 WeakPolarHBondContact O-CD 3.1Å; R406-R412 HydrophobicContact CB-CB 4.26Å; R406-R412 HydrophobicContact CB-CG 3.95Å; R406-R412 PolarHBondContact O-N 3.47Å; W407-R412 HydrophobicContact CB-CG 3.52Å; W407-R412 HydrophobicContact CG-CG 4.22Å; G410-R412 VanDerWaalsContact C-N 3.31Å; R412-D414 IonicContact CZ-OD2 3.85Å; R412-D414 PolarHBondContact NE-O 2.84Å; R412-D414 IonicContact NE-OD1 3.88Å; R412-D414 IonicContact NH2-OD1 3.17Å; R412-D414 IonicContact NH2-OD2 3.7Å; R412-D414 PolarHBondContact NH2-OD2 3.38Å; R412-E420 IonicContact CZ-OE1 2.67Å; R412-E420 IonicContact CZ-OE2 3.84Å; R412-E420 IonicContact NH1-OE1 2.87Å; R412-E420 PolarHBondContact NH1-OE1 3.35Å; R412-E420 IonicContact NH1-OE2 2.72Å; R412-E420 PolarHBondContact NH1-OE2 2.71Å; R412-E420 VanDerWaalsContact NH1-OE2 3.13Å; R412-E420 IonicContact NH2-OE1 3.34Å; R412-E420 PolarHBondContact NH2-OE1 2.8Å; R412-E420 IonicContact NH2-OE2 3.49Å; R412-E420 PolarHBondContact NH2-OE2 3.11Å
413	T	45.3	Very low	56.8	Low	66 Å²	66	69.2 Å²	69.2	41%	0.405	34%	0.344	S	S	.	.	S	Bend	trans	-122.7	-26.9	-158.1	35.5	0	0	0	0	113.9	W98	W98-T413 HydrophobicContact CG-CG2 4.47Å; W98-T413 WeakPolarHBondContact CZ2-OG1 3.48Å; W98-T413 PolarHBondContact NE1-OG1 2.9Å
414	D	47.8	Very low	57	Low	54 Å²	54	70.2 Å²	70.2	29%	0.289	35%	0.35	S	S	.	.	S	Bend	trans	-104	140.9	172.2	53.3	-54.5	0	0	0	109.1	W98 R412	W98-D414 HydrophobicContact CH2-CB 4.45Å; W98-D414 HydrophobicContact CZ3-CB 4.45Å; R412-D414 IonicContact CZ-OD2 3.85Å; R412-D414 PolarHBondContact NE-O 2.84Å; R412-D414 IonicContact NE-OD1 3.88Å; R412-D414 IonicContact NH2-OD1 3.17Å; R412-D414 IonicContact NH2-OD2 3.7Å; R412-D414 PolarHBondContact NH2-OD2 3.38Å
415	P	50.4	Low	57.4	Low	52 Å²	52	74.3 Å²	74.3	34%	0.338	37%	0.369	S	S	.	.	P	Polyproline II helix	trans	-61.3	147.4	169.8	25.2	-31.4	0	0	0	109.5	W407 T417	W407-P415 HydrophobicContact CD2-CB 4.26Å; W407-P415 HydrophobicContact CH2-CB 4.3Å; W407-P415 HydrophobicContact CZ2-CB 3.76Å; W407-P415 HydrophobicContact CZ2-CG 4.29Å; P415-T417 PolarHBondContact O-N 3.45Å
416	P	52.2	Low	58	Low	11 Å²	11	76 Å²	76	7%	0.071	38%	0.382	C	S	.	.	P	Polyproline II helix	trans	-56.7	132.8	177.8	-19.9	31.4	0	0	0	111.1	E403 W404 I421	E403-P416 HydrophobicContact CB-CB 3.67Å; E403-P416 HydrophobicContact CB-CG 3.43Å; E403-P416 VanDerWaalsContact CB-CG 3.43Å; W404-P416 HydrophobicContact CD2-CG 4.12Å; W404-P416 HydrophobicContact CG-CG 4.11Å; P416-I421 HydrophobicContact CB-CD1 4.11Å; P416-I421 HydrophobicContact CB-CG1 3.83Å
417	T	55.2	Low	58.4	Low	76 Å²	76	73 Å²	73	47%	0.466	37%	0.374	S	S	.	.	P	Polyproline II helix	trans	-74.1	152.5	173.3	60.2	0	0	0	0	110.5	P415 Q419 E420 I421	P415-T417 PolarHBondContact O-N 3.45Å; T417-Q419 PolarHBondContact O-N 2.92Å; T417-E420 PolarHBondContact N-OE2 2.94Å; T417-E420 WeakPolarHBondContact O-CB 3.25Å; T417-E420 PolarHBondContact O-N 2.71Å; T417-E420 VanDerWaalsContact OG1-CB 3.31Å; T417-E420 WeakPolarHBondContact OG1-CB 3.08Å; T417-E420 PolarHBondContact OG1-N 3.42Å; T417-I421 WeakPolarHBondContact O-CG1 3.37Å; T417-I421 PolarHBondContact O-N 3.2Å
418	E	50.1	Low	59	Low	111 Å²	111	77.2 Å²	77.2	52%	0.519	40%	0.397	S	S	.	.	H	α-helix	trans	-55.9	-38.3	177	-72.5	-170.2	162.4	0	0	112.3	R196 E420 I421 E422	R196-E418 IonicContact CZ-OE1 3.27Å; R196-E418 IonicContact CZ-OE2 2.77Å; R196-E418 IonicContact NH1-OE1 3.59Å; R196-E418 PolarHBondContact NH1-OE1 3.41Å; R196-E418 IonicContact NH1-OE2 2.76Å; R196-E418 PolarHBondContact NH1-OE2 2.9Å; R196-E418 IonicContact NH2-OE2 3.01Å; R196-E418 PolarHBondContact NH2-OE2 3.5Å; E418-E420 VanDerWaalsContact C-N 3.34Å; E418-E420 PolarHBondContact O-N 2.98Å; E418-I421 PolarHBondContact O-N 3.49Å; E418-E422 WeakPolarHBondContact O-CB 3.48Å; E418-E422 PolarHBondContact O-N 3.44Å
419	Q	59.8	Low	59.7	Low	159 Å²	159	77.6 Å²	77.6	74%	0.743	40%	0.404	S	S	*	.	H	α-helix	trans	-63.2	-39.4	176.5	-68.7	178	-13.4	0	0	112.2	T417 F423	T417-Q419 PolarHBondContact O-N 2.92Å; Q419-F423 WeakPolarHBondContact O-CB 3.34Å; Q419-F423 PolarHBondContact O-N 3.41Å
420	E	59.3	Low	60.1	Low	58 Å²	58	79.6 Å²	79.6	27%	0.271	41%	0.411	S	S	.	.	H	α-helix	trans	-68.6	-41.3	176.6	-173.1	-175.6	177.5	0	0	111.6	E403 R412 T417 E418 F423 N424	E403-E420 HydrophobicContact CG-CG 4.47Å; R412-E420 IonicContact CZ-OE1 2.67Å; R412-E420 IonicContact CZ-OE2 3.84Å; R412-E420 IonicContact NH1-OE1 2.87Å; R412-E420 PolarHBondContact NH1-OE1 3.35Å; R412-E420 IonicContact NH1-OE2 2.72Å; R412-E420 PolarHBondContact NH1-OE2 2.71Å; R412-E420 VanDerWaalsContact NH1-OE2 3.13Å; R412-E420 IonicContact NH2-OE1 3.34Å; R412-E420 PolarHBondContact NH2-OE1 2.8Å; R412-E420 IonicContact NH2-OE2 3.49Å; R412-E420 PolarHBondContact NH2-OE2 3.11Å; T417-E420 PolarHBondContact N-OE2 2.94Å; T417-E420 WeakPolarHBondContact O-CB 3.25Å; T417-E420 PolarHBondContact O-N 2.71Å; T417-E420 VanDerWaalsContact OG1-CB 3.31Å; T417-E420 WeakPolarHBondContact OG1-CB 3.08Å; T417-E420 PolarHBondContact OG1-N 3.42Å; E418-E420 VanDerWaalsContact C-N 3.34Å; E418-E420 PolarHBondContact O-N 2.98Å; E420-F423 PolarHBondContact O-N 3.03Å; E420-N424 WeakPolarHBondContact O-CB 3.37Å; E420-N424 VanDerWaalsContact O-CG 3.29Å; E420-N424 PolarHBondContact O-N 3.43Å; E420-N424 PolarHBondContact O-ND2 3.38Å
421	I	60.1	Low	60.7	Low	31 Å²	31	86.4 Å²	86.4	16%	0.159	42%	0.424	C	S	.	.	H	α-helix	trans	-62.1	-45.3	174.9	-63.6	168.2	0	0	0	110.3	W404 P416 T417 E418 N424 K425	W404-I421 HydrophobicContact CZ2-CD1 4.44Å; P416-I421 HydrophobicContact CB-CD1 4.11Å; P416-I421 HydrophobicContact CB-CG1 3.83Å; T417-I421 WeakPolarHBondContact O-CG1 3.37Å; T417-I421 PolarHBondContact O-N 3.2Å; E418-I421 PolarHBondContact O-N 3.49Å; I421-N424 PolarHBondContact O-N 3.23Å; I421-K425 HydrophobicContact CG2-CD 4.29Å; I421-K425 WeakPolarHBondContact O-CB 3.34Å; I421-K425 VanDerWaalsContact O-CG 3.29Å; I421-K425 WeakPolarHBondContact O-CG 3.37Å; I421-K425 PolarHBondContact O-N 3.42Å
422	E	64.5	Low	61	Low	130 Å²	130	85.2 Å²	85.2	61%	0.607	42%	0.42	S	S	*	.	H	α-helix	trans	-66.8	-42.9	178.9	-168.7	171.6	-161.7	0	0	111.6	E418 N424 K425 L426	E418-E422 WeakPolarHBondContact O-CB 3.48Å; E418-E422 PolarHBondContact O-N 3.44Å; E422-N424 PolarHBondContact O-N 3.39Å; E422-K425 PolarHBondContact O-N 2.91Å; E422-L426 WeakPolarHBondContact O-CB 3.42Å; E422-L426 PolarHBondContact O-N 3Å
423	F	72.6	Confident	61.7	Low	118 Å²	118	88.3 Å²	88.3	52%	0.518	44%	0.439	S	S	.	.	H	α-helix	trans	-60.6	-44.6	174.5	179.7	-99.4	0	0	0	111.9	Q419 E420 L426 Q427	Q419-F423 WeakPolarHBondContact O-CB 3.34Å; Q419-F423 PolarHBondContact O-N 3.41Å; E420-F423 PolarHBondContact O-N 3.03Å; F423-L426 WeakPolarHBondContact O-CB 3.21Å; F423-L426 PolarHBondContact O-N 2.88Å; F423-Q427 HydrophobicContact CD1-CG 4Å; F423-Q427 HydrophobicContact CE1-CG 3.65Å; F423-Q427 HydrophobicContact CE2-CG 4.42Å; F423-Q427 HydrophobicContact CZ-CG 3.9Å; F423-Q427 VanDerWaalsContact O-CG 3.29Å; F423-Q427 WeakPolarHBondContact O-CG 2.97Å; F423-Q427 PolarHBondContact O-N 2.86Å
424	N	67	Low	62.3	Low	39 Å²	39	87.5 Å²	87.5	21%	0.209	44%	0.44	C	S	.	.	H	α-helix	trans	-72.6	-33.4	-179.8	-70.6	-22.4	0	0	0	112.5	E403 E420 I421 E422 L426 Q427 L428	E403-N424 VanDerWaalsContact CD-ND2 3.28Å; E403-N424 WeakPolarHBondContact CG-ND2 3.49Å; E403-N424 WeakPolarHBondContact OE1-CB 3.17Å; E403-N424 PolarHBondContact OE1-ND2 2.86Å; E420-N424 WeakPolarHBondContact O-CB 3.37Å; E420-N424 VanDerWaalsContact O-CG 3.29Å; E420-N424 PolarHBondContact O-N 3.43Å; E420-N424 PolarHBondContact O-ND2 3.38Å; I421-N424 PolarHBondContact O-N 3.23Å; E422-N424 PolarHBondContact O-N 3.39Å; N424-L426 VanDerWaalsContact C-N 3.33Å; N424-Q427 PolarHBondContact O-N 2.93Å; N424-L428 WeakPolarHBondContact O-CB 3.27Å; N424-L428 VanDerWaalsContact O-CG 3.32Å; N424-L428 WeakPolarHBondContact O-CG 3.39Å; N424-L428 PolarHBondContact O-N 2.99Å
425	K	68.8	Low	62.6	Low	139 Å²	139	86.9 Å²	86.9	60%	0.604	45%	0.446	S	S	*	.	H	α-helix	trans	-59.2	-44.4	167.3	-78.4	176.2	-180	177.8	0	111.6	I421 E422 L428 A429	I421-K425 HydrophobicContact CG2-CD 4.29Å; I421-K425 WeakPolarHBondContact O-CB 3.34Å; I421-K425 VanDerWaalsContact O-CG 3.29Å; I421-K425 WeakPolarHBondContact O-CG 3.37Å; I421-K425 PolarHBondContact O-N 3.42Å; E422-K425 PolarHBondContact O-N 2.91Å; K425-L428 PolarHBondContact O-N 3.34Å; K425-A429 WeakPolarHBondContact O-CB 3.29Å; K425-A429 PolarHBondContact O-N 2.86Å
426	L	72.8	Confident	62.8	Low	96 Å²	96	90.4 Å²	90.4	50%	0.503	46%	0.456	S	S	.	.	H	α-helix	trans	-62.6	-44.2	174.5	-88.8	159.9	0	0	0	112	E422 F423 N424 A429 N430	E422-L426 WeakPolarHBondContact O-CB 3.42Å; E422-L426 PolarHBondContact O-N 3Å; F423-L426 WeakPolarHBondContact O-CB 3.21Å; F423-L426 PolarHBondContact O-N 2.88Å; N424-L426 VanDerWaalsContact C-N 3.33Å; L426-A429 PolarHBondContact O-N 2.94Å; L426-N430 WeakPolarHBondContact O-CB 3.15Å; L426-N430 PolarHBondContact O-N 3.24Å; L426-N430 PolarHBondContact O-ND2 3.15Å
427	Q	72.1	Confident	62.8	Low	75 Å²	75	92 Å²	92	35%	0.35	47%	0.469	S	S	.	.	H	α-helix	trans	-62.5	-42.4	176.4	-72.1	-72.2	-25.2	0	0	112.2	F423 N424 N430 R431	F423-Q427 HydrophobicContact CD1-CG 4Å; F423-Q427 HydrophobicContact CE1-CG 3.65Å; F423-Q427 HydrophobicContact CE2-CG 4.42Å; F423-Q427 HydrophobicContact CZ-CG 3.9Å; F423-Q427 VanDerWaalsContact O-CG 3.29Å; F423-Q427 WeakPolarHBondContact O-CG 2.97Å; F423-Q427 PolarHBondContact O-N 2.86Å; N424-Q427 PolarHBondContact O-N 2.93Å; Q427-N430 PolarHBondContact O-N 3.44Å; Q427-R431 WeakPolarHBondContact O-CB 3.33Å; Q427-R431 WeakPolarHBondContact O-CG 3.27Å; Q427-R431 PolarHBondContact O-N 2.79Å
428	L	65.1	Low	62.5	Low	101 Å²	101	92.9 Å²	92.9	53%	0.529	47%	0.471	S	S	.	.	H	α-helix	trans	-64.6	-44.1	175.5	-76.5	165.4	0	0	0	111.4	N424 K425 N430 R431 M432	N424-L428 WeakPolarHBondContact O-CB 3.27Å; N424-L428 VanDerWaalsContact O-CG 3.32Å; N424-L428 WeakPolarHBondContact O-CG 3.39Å; N424-L428 PolarHBondContact O-N 2.99Å; K425-L428 PolarHBondContact O-N 3.34Å; L428-N430 VanDerWaalsContact C-N 3.34Å; L428-N430 PolarHBondContact O-N 3.25Å; L428-R431 PolarHBondContact O-N 3.46Å; L428-M432 WeakPolarHBondContact O-CG 3.46Å; L428-M432 PolarHBondContact O-N 2.78Å
429	A	68.7	Low	62.5	Low	38 Å²	38	90.4 Å²	90.4	31%	0.314	47%	0.47	S	S	.	.	H	α-helix	trans	-60.1	-44.2	173.6	0	0	0	0	0	111.6	K425 L426 M432 N433	K425-A429 WeakPolarHBondContact O-CB 3.29Å; K425-A429 PolarHBondContact O-N 2.86Å; L426-A429 PolarHBondContact O-N 2.94Å; A429-M432 PolarHBondContact O-N 3.5Å; A429-N433 WeakPolarHBondContact O-CB 3.45Å; A429-N433 PolarHBondContact O-N 3.47Å; A429-N433 PolarHBondContact O-ND2 3.33Å
430	N	70.8	Confident	61.9	Low	89 Å²	89	89.2 Å²	89.2	48%	0.476	46%	0.464	S	S	.	.	H	α-helix	trans	-65.9	-39.8	177.5	-72.2	-15.9	0	0	0	112.6	L426 Q427 L428 N433 A434	L426-N430 WeakPolarHBondContact O-CB 3.15Å; L426-N430 PolarHBondContact O-N 3.24Å; L426-N430 PolarHBondContact O-ND2 3.15Å; Q427-N430 PolarHBondContact O-N 3.44Å; L428-N430 VanDerWaalsContact C-N 3.34Å; L428-N430 PolarHBondContact O-N 3.25Å; N430-N433 PolarHBondContact O-N 3.36Å; N430-A434 VanDerWaalsContact O-CB 3.29Å; N430-A434 WeakPolarHBondContact O-CB 3.28Å; N430-A434 PolarHBondContact O-N 3.12Å
431	R	65.1	Low	61.2	Low	184 Å²	184	93 Å²	93	69%	0.694	48%	0.48	S	S	*	.	H	α-helix	trans	-65.8	-40.5	174.6	-81.7	-179.4	173.6	177.9	-2.1	112.3	Q427 L428 A434 G435	Q427-R431 WeakPolarHBondContact O-CB 3.33Å; Q427-R431 WeakPolarHBondContact O-CG 3.27Å; Q427-R431 PolarHBondContact O-N 2.79Å; L428-R431 PolarHBondContact O-N 3.46Å; R431-A434 PolarHBondContact O-N 3.38Å; R431-G435 PolarHBondContact O-N 2.9Å
432	M	61.2	Low	60.4	Low	130 Å²	130	96.8 Å²	96.8	64%	0.64	50%	0.501	S	S	*	.	H	α-helix	trans	-65.8	-39.9	174.3	-72.8	-163.4	-64.6	0	0	111.6	L428 A429 G435 K436	L428-M432 WeakPolarHBondContact O-CG 3.46Å; L428-M432 PolarHBondContact O-N 2.78Å; A429-M432 PolarHBondContact O-N 3.5Å; M432-G435 PolarHBondContact O-N 3.19Å; M432-K436 PolarHBondContact O-N 3.19Å
433	N	66	Low	59.3	Low	97 Å²	97	92.9 Å²	92.9	52%	0.519	49%	0.49	S	S	.	.	H	α-helix	trans	-67.2	-38.2	174.6	-70.3	-14	0	0	0	112.1	A429 N430 K436 A437	A429-N433 WeakPolarHBondContact O-CB 3.45Å; A429-N433 PolarHBondContact O-N 3.47Å; A429-N433 PolarHBondContact O-ND2 3.33Å; N430-N433 PolarHBondContact O-N 3.36Å; N433-K436 PolarHBondContact O-N 2.86Å; N433-A437 WeakPolarHBondContact O-CB 3.3Å; N433-A437 PolarHBondContact O-N 3.19Å
434	A	58.4	Low	57.5	Low	50 Å²	50	94.4 Å²	94.4	41%	0.413	50%	0.497	S	S	.	.	H	α-helix	trans	-68	-37.1	174.1	0	0	0	0	0	112.1	N430 R431 A437 N438	N430-A434 VanDerWaalsContact O-CB 3.29Å; N430-A434 WeakPolarHBondContact O-CB 3.28Å; N430-A434 PolarHBondContact O-N 3.12Å; R431-A434 PolarHBondContact O-N 3.38Å; A434-A437 PolarHBondContact O-N 3.27Å; A434-N438 WeakPolarHBondContact O-CB 3.19Å; A434-N438 PolarHBondContact O-N 3.48Å
435	G	53.8	Low	56	Low	40 Å²	40	98.5 Å²	98.5	41%	0.412	52%	0.519	S	S	.	.	H	α-helix	trans	-64.2	-40.9	172	0	0	0	0	0	112.2	R431 M432 N438 A439	R431-G435 PolarHBondContact O-N 2.9Å; M432-G435 PolarHBondContact O-N 3.19Å; G435-N438 PolarHBondContact O-N 2.94Å; G435-A439 VanDerWaalsContact O-CB 3.3Å; G435-A439 WeakPolarHBondContact O-CB 3.5Å; G435-A439 PolarHBondContact O-N 3.03Å
436	K	56.2	Low	54.5	Low	127 Å²	127	95.4 Å²	95.4	55%	0.552	51%	0.514	S	S	*	.	H	α-helix	trans	-65.1	-43.6	171.5	-78	-176	176.3	-175.3	0	112.4	M432 N433 N438 A439 E440	M432-K436 PolarHBondContact O-N 3.19Å; N433-K436 PolarHBondContact O-N 2.86Å; K436-N438 VanDerWaalsContact C-N 3.31Å; K436-N438 PolarHBondContact O-N 3.39Å; K436-A439 PolarHBondContact O-N 3.03Å; K436-E440 VanDerWaalsContact O-CB 3.3Å; K436-E440 WeakPolarHBondContact O-CB 3.44Å; K436-E440 VanDerWaalsContact O-CG 3.32Å; K436-E440 WeakPolarHBondContact O-CG 3.44Å; K436-E440 PolarHBondContact O-N 3.47Å
437	A	50.8	Low	52.5	Low	43 Å²	43	95.1 Å²	95.1	36%	0.355	52%	0.517	S	S	.	.	H	α-helix	trans	-66.4	-32.7	177.5	0	0	0	0	0	112.6	N433 A434 K441	N433-A437 WeakPolarHBondContact O-CB 3.3Å; N433-A437 PolarHBondContact O-N 3.19Å; A434-A437 PolarHBondContact O-N 3.27Å; A437-K441 WeakPolarHBondContact O-CB 3.39Å; A437-K441 WeakPolarHBondContact O-CG 3.24Å; A437-K441 PolarHBondContact O-N 3.31Å
438	N	50.2	Low	50.4	Low	95 Å²	95	100.1 Å²	100.1	51%	0.508	54%	0.54	S	S	.	.	H	α-helix	trans	-73.3	-42.3	171.7	-78.3	-4.9	0	0	0	111.4	A434 G435 K436 E440 K441 D442	A434-N438 WeakPolarHBondContact O-CB 3.19Å; A434-N438 PolarHBondContact O-N 3.48Å; G435-N438 PolarHBondContact O-N 2.94Å; K436-N438 VanDerWaalsContact C-N 3.31Å; K436-N438 PolarHBondContact O-N 3.39Å; N438-E440 VanDerWaalsContact C-N 3.28Å; N438-E440 PolarHBondContact O-N 3.46Å; N438-K441 CarbonylContact O-C 3.58Å; N438-K441 PolarHBondContact O-N 3.42Å; N438-K441 VanDerWaalsContact O-N 3.14Å; N438-D442 WeakPolarHBondContact O-CB 3.01Å; N438-D442 PolarHBondContact O-N 3.25Å
439	A	49.3	Very low	48.6	Very low	59 Å²	59	99.6 Å²	99.6	49%	0.488	55%	0.545	S	S	.	.	H	α-helix	trans	-62.6	-36	173.6	0	0	0	0	0	112.1	G435 K436 A443	G435-A439 VanDerWaalsContact O-CB 3.3Å; G435-A439 WeakPolarHBondContact O-CB 3.5Å; G435-A439 PolarHBondContact O-N 3.03Å; K436-A439 PolarHBondContact O-N 3.03Å; A439-A443 WeakPolarHBondContact O-CB 3.49Å; A439-A443 PolarHBondContact O-N 3.27Å
440	E	47.7	Very low	46.5	Very low	135 Å²	135	103.8 Å²	103.8	63%	0.631	57%	0.567	S	S	*	*	H	α-helix	trans	-70.4	-35.9	172.6	-77.7	172.9	-178.7	0	0	111.7	K436 N438 F444	K436-E440 VanDerWaalsContact O-CB 3.3Å; K436-E440 WeakPolarHBondContact O-CB 3.44Å; K436-E440 VanDerWaalsContact O-CG 3.32Å; K436-E440 WeakPolarHBondContact O-CG 3.44Å; K436-E440 PolarHBondContact O-N 3.47Å; N438-E440 VanDerWaalsContact C-N 3.28Å; N438-E440 PolarHBondContact O-N 3.46Å; E440-F444 VanDerWaalsContact O-CB 3.24Å; E440-F444 WeakPolarHBondContact O-CB 3.34Å; E440-F444 PolarHBondContact O-N 2.96Å
441	K	44.4	Very low	44.1	Very low	138 Å²	138	108.7 Å²	108.7	60%	0.6	58%	0.584	S	S	*	*	H	α-helix	trans	-70.7	-38.2	172.6	-85.8	-179.3	174.9	-179.4	0	113.3	A437 N438 A443 F444 N445	A437-K441 WeakPolarHBondContact O-CB 3.39Å; A437-K441 WeakPolarHBondContact O-CG 3.24Å; A437-K441 PolarHBondContact O-N 3.31Å; N438-K441 CarbonylContact O-C 3.58Å; N438-K441 PolarHBondContact O-N 3.42Å; N438-K441 VanDerWaalsContact O-N 3.14Å; K441-A443 VanDerWaalsContact C-N 3.33Å; K441-F444 PolarHBondContact O-N 2.76Å; K441-N445 WeakPolarHBondContact O-CB 3.14Å; K441-N445 PolarHBondContact O-N 3.45Å
442	D	42.9	Very low	42.1	Very low	110 Å²	110	106.6 Å²	106.6	59%	0.588	59%	0.592	S	S	*	*	H	α-helix	trans	-70.8	-34.8	175.9	-66.9	-26.1	0	0	0	110.3	N438 S446	N438-D442 WeakPolarHBondContact O-CB 3.01Å; N438-D442 PolarHBondContact O-N 3.25Å; D442-S446 PolarHBondContact O-N 2.86Å; D442-S446 PolarHBondContact O-OG 3.28Å
443	A	41.6	Very low	40.3	Very low	47 Å²	47	105.3 Å²	105.3	39%	0.388	60%	0.602	S	S	.	*	H	α-helix	trans	-66.9	-39.3	167.1	0	0	0	0	0	112	A439 K441 S446 V447	A439-A443 WeakPolarHBondContact O-CB 3.49Å; A439-A443 PolarHBondContact O-N 3.27Å; K441-A443 VanDerWaalsContact C-N 3.33Å; A443-S446 WeakPolarHBondContact CA-OG 3.3Å; A443-S446 PolarHBondContact O-N 3.16Å; A443-S446 PolarHBondContact O-OG 3.05Å; A443-S446 VanDerWaalsContact O-OG 3.07Å; A443-V447 WeakPolarHBondContact O-CB 3.26Å; A443-V447 WeakPolarHBondContact O-CG2 3.36Å; A443-V447 PolarHBondContact O-N 3.31Å
444	F	35.5	Very low	38.1	Very low	151 Å²	151	107.8 Å²	107.8	66%	0.662	62%	0.615	S	S	*	*	H	α-helix	trans	-66.8	-39.1	178.1	-156.4	-95.5	0	0	0	112.2	E440 K441 S446 V447	E440-F444 VanDerWaalsContact O-CB 3.24Å; E440-F444 WeakPolarHBondContact O-CB 3.34Å; E440-F444 PolarHBondContact O-N 2.96Å; K441-F444 PolarHBondContact O-N 2.76Å; F444-S446 VanDerWaalsContact C-N 3.3Å; F444-S446 PolarHBondContact O-N 3.41Å; F444-V447 PolarHBondContact O-N 3.03Å
445	N	34.9	Very low	36.4	Very low	125 Å²	125	112 Å²	112	67%	0.668	63%	0.63	S	S	*	*	H	α-helix	trans	-74.1	-18.3	177.3	-73.3	-18.6	0	0	0	113.5	K441	K441-N445 WeakPolarHBondContact O-CB 3.14Å; K441-N445 PolarHBondContact O-N 3.45Å
446	S	36.3	Very low	34.9	Very low	73 Å²	73	119 Å²	119	51%	0.51	65%	0.652	S	S	.	*	H	α-helix	trans	-93.7	-11.7	176.2	50.1	0	0	0	0	113.7	D442 A443 F444	D442-S446 PolarHBondContact O-N 2.86Å; D442-S446 PolarHBondContact O-OG 3.28Å; A443-S446 WeakPolarHBondContact CA-OG 3.3Å; A443-S446 PolarHBondContact O-N 3.16Å; A443-S446 PolarHBondContact O-OG 3.05Å; A443-S446 VanDerWaalsContact O-OG 3.07Å; F444-S446 VanDerWaalsContact C-N 3.3Å; F444-S446 PolarHBondContact O-N 3.41Å
447	V	32.1	Very low	33.3	Very low	91 Å²	91	117.1 Å²	117.1	55%	0.552	66%	0.661	S	S	*	*	H	α-helix	trans	-105.5	-1.8	-172.2	176.5	0	0	0	0	113.6	A443 F444 S449 T450	A443-V447 WeakPolarHBondContact O-CB 3.26Å; A443-V447 WeakPolarHBondContact O-CG2 3.36Å; A443-V447 PolarHBondContact O-N 3.31Å; F444-V447 PolarHBondContact O-N 3.03Å; V447-S449 PolarHBondContact O-N 3.06Å; V447-T450 PolarHBondContact O-N 3.18Å
448	E	28	Very low	32	Very low	179 Å²	179	121.4 Å²	121.4	84%	0.836	68%	0.683	S	S	*	*	S	Bend	trans	-63	-4.8	165.9	-94.9	-173.9	166	0	0	113.7
449	S	26.8	Very low	30.6	Very low	90 Å²	90	121.5 Å²	121.5	63%	0.629	69%	0.691	S	S	*	*	S	Bend	trans	-115.2	65	168.3	63.6	0	0	0	0	112.4	V447	V447-S449 PolarHBondContact O-N 3.06Å
450	T	24.4	Very low	29.5	Very low	126 Å²	126	127.2 Å²	127.2	77%	0.773	71%	0.707	S	S	*	*			trans	-176.3	118.3	139.6	19.8	0	0	0	0	110.9	V447	V447-T450 PolarHBondContact O-N 3.18Å
451	K	21	Very low	28.3	Very low	193 Å²	193	127 Å²	127	84%	0.839	71%	0.71	S	S	*	*			trans	-81.5	159.9	175.7	-69.6	175.4	171.3	175.1	0	110.8
452	T	22.1	Very low	27.5	Very low	140 Å²	140	126.8 Å²	126.8	86%	0.859	72%	0.721	S	S	*	*			trans	76.1	100.8	161.1	64	0	0	0	0	118.5
453	A	23.5	Very low	26.7	Very low	103 Å²	103	130 Å²	130	85%	0.851	73%	0.73	S	S	*	*				175.4	142.5	109.4	0	0	0	0	0	112.1
454	D	20.5	Very low	26.1	Very low	149 Å²	149	130.6 Å²	130.6	80%	0.797	74%	0.741	S	S	*	*			trans	-58.9	157.1	-168.6	-58.8	-43.3	0	0	0	120.6
455	N	22.6	Very low	25.9	Very low	138 Å²	138	132.7 Å²	132.7	74%	0.738	74%	0.744	S	S	*	*			trans	80.7	96.1	145.6	-63.9	-12.1	0	0	0	122.5
456	E	21.9	Very low	25.6	Very low	187 Å²	187	134.8 Å²	134.8	87%	0.874	76%	0.756	S	S	*	*				63.1	134.2	117.8	-70.9	-174	163.6	0	0	123.4
457	A	23.7	Very low	25.5	Very low	88 Å²	88	138.8 Å²	138.8	73%	0.727	76%	0.759	S	S	*	*			trans	85.4	74.8	157.8	0	0	0	0	0	119.1
458	T	22.7	Very low	25.9	Very low	133 Å²	133	137.6 Å²	137.6	82%	0.816	75%	0.753	S	S	*	*				48.9	90.6	128.1	52.8	0	0	0	0	118.4	E460	T458-E460 PolarHBondContact O-N 3.19Å
459	S	21.4	Very low	26	Very low	97 Å²	97	137 Å²	137	68%	0.678	75%	0.749	S	S	*	*			trans	-63.1	108.9	148.7	160.9	0	0	0	0	110.5	N461	S459-N461 PolarHBondContact O-N 3.35Å
460	E	25.6	Very low	26.1	Very low	179 Å²	179	137.8 Å²	137.8	84%	0.836	75%	0.751	S	S	*	*			trans	-81.5	95.9	156.3	-81.9	-170.8	158.3	0	0	108.6	T458 T462	T458-E460 PolarHBondContact O-N 3.19Å; E460-T462 PolarHBondContact O-N 2.86Å
461	N	23.4	Very low	26.3	Very low	129 Å²	129	139.9 Å²	139.9	69%	0.69	75%	0.745	S	S	*	*			trans	-60.1	91.5	167.4	-89.6	-34.3	0	0	0	110.9	S459 F463	S459-N461 PolarHBondContact O-N 3.35Å; N461-F463 PolarHBondContact O-N 3.15Å
462	T	25.9	Very low	26.9	Very low	134 Å²	134	140 Å²	140	82%	0.822	74%	0.74	S	S	*	*			trans	-75.5	77.4	161.9	48.8	0	0	0	0	109.8	E460 G464	E460-T462 PolarHBondContact O-N 2.86Å; T462-G464 PolarHBondContact O-N 2.99Å; T462-G464 VanDerWaalsContact O-N 3.16Å
463	F	27.6	Very low	27.5	Very low	178 Å²	178	136.2 Å²	136.2	78%	0.781	72%	0.718	S	S	*	*			trans	-63.3	112.8	162.8	-110.4	-94.1	0	0	0	108.4	N461 R465	N461-F463 PolarHBondContact O-N 3.15Å; F463-R465 PolarHBondContact O-N 3.04Å
464	G	28.9	Very low	27.9	Very low	60 Å²	60	136.4 Å²	136.4	62%	0.619	71%	0.705	S	S	*	*			trans	-50.2	127	174.6	0	0	0	0	0	110.7	T462 N466	T462-G464 PolarHBondContact O-N 2.99Å; T462-G464 VanDerWaalsContact O-N 3.16Å; G464-N466 PolarHBondContact O-N 2.92Å
465	R	30.3	Very low	28.5	Very low	195 Å²	195	138 Å²	138	74%	0.736	71%	0.705	S	S	*	*			trans	-55.8	107.2	170.2	-70	173.9	173.1	159.5	-2	108.5	F463 R467	F463-R465 PolarHBondContact O-N 3.04Å; R465-R467 HydrophobicContact CB-CG 3.84Å; R465-R467 PolarHBondContact O-N 3.3Å
466	N	28.4	Very low	28.8	Very low	169 Å²	169	138.8 Å²	138.8	90%	0.904	70%	0.704	S	S	*	*			trans	-57.5	104.9	157.4	-76.5	-13.4	0	0	0	107.1	G464	G464-N466 PolarHBondContact O-N 2.92Å
467	R	35.1	Very low	29	Very low	156 Å²	156	137 Å²	137	59%	0.589	70%	0.696	S	S	*	*			trans	-111	129	-179.6	-67.7	-177	-139.1	-161.8	8.3	108.6	R465 F469	R465-R467 HydrophobicContact CB-CG 3.84Å; R465-R467 PolarHBondContact O-N 3.3Å; R467-F469 VanDerWaalsContact C-N 3.29Å; R467-F469 PolarHBondContact O-N 3.5Å
468	P	40.1	Very low	29.1	Very low	66 Å²	66	144.4 Å²	144.4	43%	0.429	71%	0.705	S	S	.	*	S	Bend	trans	-80.6	4.9	-171.2	29.7	-33.7	0	0	0	115.4	Q399	Q399-P468 HydrophobicContact CB-CB 4.23Å; Q399-P468 PolarHBondContact OE1-O 3.2Å
469	F	30.4	Very low	29.3	Very low	167 Å²	167	144.4 Å²	144.4	73%	0.732	71%	0.705	S	S	*	*	S	Bend	trans	-144.1	125	177.4	-61.4	-74	0	0	0	111.6	R467	R467-F469 VanDerWaalsContact C-N 3.29Å; R467-F469 PolarHBondContact O-N 3.5Å
470	P	28.1	Very low	29.5	Very low	106 Å²	106	145.6 Å²	145.6	69%	0.688	71%	0.708	S	S	*	*			trans	-69.4	147	169.4	25.9	-29.4	0	0	0	111.2
471	R	29.3	Very low	29.8	Very low	170 Å²	170	144.5 Å²	144.5	64%	0.642	71%	0.708	S	S	*	*			trans	-91.7	150.6	178.8	-70.7	-171.3	178.4	-166.8	-1.6	110	P473 D474	R471-P473 HydrophobicContact CB-CG 3.98Å; R471-D474 PolarHBondContact N-OD2 3.09Å; R471-D474 WeakPolarHBondContact O-CB 3.3Å; R471-D474 VanDerWaalsContact O-CG 3.26Å; R471-D474 PolarHBondContact O-N 3.44Å
472	R	34.4	Very low	30.1	Very low	197 Å²	197	145.7 Å²	145.7	74%	0.743	71%	0.713	S	S	*	*	T	Hydrogen-bonded Turn	trans	-50.5	-38.1	172.4	-96.7	-172.5	177.7	-171	-0.4	115.8	D474 F475 E476	R472-D474 PolarHBondContact O-N 3.19Å; R472-D474 VanDerWaalsContact O-N 3.08Å; R472-F475 PolarHBondContact O-N 3.46Å; R472-E476 PolarHBondContact O-N 2.91Å
473	P	33.9	Very low	30.2	Very low	59 Å²	59	144.3 Å²	144.3	38%	0.383	71%	0.706	S	S	.	*	H	α-helix	trans	-61.6	-13.9	173.4	16.5	-30.9	0	0	0	114.8	R471 F475 E476 Q477	R471-P473 HydrophobicContact CB-CG 3.98Å; P473-F475 PolarHBondContact O-N 3.47Å; P473-E476 PolarHBondContact O-N 3.42Å; P473-Q477 HydrophobicContact CB-CG 4.41Å; P473-Q477 WeakPolarHBondContact O-CB 3.01Å; P473-Q477 WeakPolarHBondContact O-CG 3.03Å; P473-Q477 PolarHBondContact O-N 3.41Å
474	D	30.8	Very low	30.7	Very low	107 Å²	107	140.2 Å²	140.2	57%	0.572	71%	0.705	S	S	*	*	H	α-helix	trans	-71	-18.3	171.8	-53	-28.8	0	0	0	111.6	R471 R472	R471-D474 PolarHBondContact N-OD2 3.09Å; R471-D474 WeakPolarHBondContact O-CB 3.3Å; R471-D474 VanDerWaalsContact O-CG 3.26Å; R471-D474 PolarHBondContact O-N 3.44Å; R472-D474 PolarHBondContact O-N 3.19Å; R472-D474 VanDerWaalsContact O-N 3.08Å
475	F	33.7	Very low	30.8	Very low	183 Å²	183	145 Å²	145	80%	0.803	71%	0.714	S	S	*	*	H	α-helix	trans	-95.6	-14.7	171.7	-79.6	-83.1	0	0	0	114	R472 P473	R472-F475 PolarHBondContact O-N 3.46Å; P473-F475 PolarHBondContact O-N 3.47Å
476	E	29.6	Very low	30.7	Very low	154 Å²	154	144.9 Å²	144.9	72%	0.72	71%	0.713	S	S	*	*	H	α-helix	trans	-120.5	-2.8	-173	-72.1	-175.4	164.1	0	0	115.4	R472 P473 R478	R472-E476 PolarHBondContact O-N 2.91Å; P473-E476 PolarHBondContact O-N 3.42Å; E476-R478 VanDerWaalsContact C-N 3.29Å; E476-R478 PolarHBondContact O-N 3.42Å
477	Q	26.6	Very low	31	Very low	151 Å²	151	142.7 Å²	142.7	71%	0.706	70%	0.701	S	S	*	*			trans	-79	69.9	173.1	-79.3	-175.5	-4.9	0	0	113.1	P473	P473-Q477 HydrophobicContact CB-CG 4.41Å; P473-Q477 WeakPolarHBondContact O-CB 3.01Å; P473-Q477 WeakPolarHBondContact O-CG 3.03Å; P473-Q477 PolarHBondContact O-N 3.41Å
478	R	25.2	Very low	31	Very low	242 Å²	242	141.3 Å²	141.3	91%	0.913	71%	0.71	S	S	*	*	S	Bend	trans	-145.5	47.6	152	-80	-159.3	-168.6	-167.9	4.2	112.9	E476	E476-R478 VanDerWaalsContact C-N 3.29Å; E476-R478 PolarHBondContact O-N 3.42Å
479	T	26.2	Very low	30.6	Very low	133 Å²	133	145.6 Å²	145.6	82%	0.816	73%	0.729	S	S	*	*			trans	-148	66.7	162.6	52.5	0	0	0	0	111.6
480	T	27	Very low	30.8	Very low	123 Å²	123	141.7 Å²	141.7	76%	0.755	72%	0.719	S	S	*	*			trans	-120.2	132.7	168	51.7	0	0	0	0	111.5
481	N	30.1	Very low	31.1	Very low	156 Å²	156	142.9 Å²	142.9	83%	0.834	72%	0.718	S	S	*	*			trans	97.1	77	167.7	-56.4	-17	0	0	0	116.9
482	I	29.7	Very low	31.1	Very low	153 Å²	153	146.2 Å²	146.2	79%	0.785	73%	0.731	S	S	*	*			trans	-119.3	119.4	148.5	-58.2	179.6	0	0	0	108.6
483	P	29.2	Very low	31.2	Very low	105 Å²	105	148.1 Å²	148.1	68%	0.682	74%	0.738	S	S	*	*			trans	-64.9	147.1	-176	-22	32.3	0	0	0	114.9	M485	P483-M485 PolarHBondContact O-N 2.87Å
484	A	38.4	Very low	31.2	Very low	92 Å²	92	151.7 Å²	151.7	76%	0.76	75%	0.753	S	S	*	*	G	3₁₀ helix	trans	-62.2	6.5	-166.4	0	0	0	0	0	118.2
485	M	30.4	Very low	31.5	Very low	162 Å²	162	153.3 Å²	153.3	80%	0.798	75%	0.752	S	S	*	*	G	3₁₀ helix	trans	-86.3	-6.9	-176.3	-159.1	166	59.5	0	0	114.2	P483	P483-M485 PolarHBondContact O-N 2.87Å
486	W	29.2	Very low	31.6	Very low	192 Å²	192	149 Å²	149	73%	0.727	75%	0.75	S	S	*	*	G	3₁₀ helix	trans	-100.2	8.4	-179.4	-71.7	84.9	0	0	0	114.6	T488 T490	W486-T488 PolarHBondContact O-N 3.45Å; W486-T490 PolarHBondContact O-OG1 3.32Å; W486-T490 VanDerWaalsContact O-OG1 3.13Å
487	L	34.5	Very low	32.2	Very low	122 Å²	122	148.5 Å²	148.5	64%	0.639	76%	0.758	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.6	-14.5	-172	-129.7	89.2	0	0	0	115
488	T	33.4	Very low	33.1	Very low	128 Å²	128	150.5 Å²	150.5	79%	0.785	77%	0.765	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.5	-19.7	-174.1	49.3	0	0	0	0	114.5	W486	W486-T488 PolarHBondContact O-N 3.45Å
489	L	33.4	Very low	34.4	Very low	156 Å²	156	141.6 Å²	141.6	82%	0.817	74%	0.739	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103.8	-10.1	179.8	-100.4	112.2	0	0	0	115.4
490	T	34.9	Very low	36.5	Very low	85 Å²	85	140 Å²	140	52%	0.521	73%	0.725	S	S	.	*	S	Bend	trans	-98.9	-6.7	-172.9	44.9	0	0	0	0	115	W486 R492 R493	W486-T490 PolarHBondContact O-OG1 3.32Å; W486-T490 VanDerWaalsContact O-OG1 3.13Å; T490-R492 PolarHBondContact O-N 3.46Å; T490-R493 PolarHBondContact O-N 2.89Å
491	L	33.3	Very low	39	Very low	130 Å²	130	138.7 Å²	138.7	68%	0.681	72%	0.717	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.7	-4.2	178.3	-89.9	159.2	0	0	0	115	L163	L163-L491 HydrophobicContact CD1-CD2 4.2Å
492	R	30.2	Very low	41.5	Very low	240 Å²	240	134.9 Å²	134.9	91%	0.906	69%	0.691	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.8	6.1	177.8	-128.3	179.6	-173.2	-176	2.4	115.6	T490	T490-R492 PolarHBondContact O-N 3.46Å
493	R	36.3	Very low	44.1	Very low	237 Å²	237	134.1 Å²	134.1	89%	0.894	68%	0.683	S	S	*	*	S	Bend	trans	-119	7.4	-176.2	-94.1	-171.5	-179.8	-161.3	1.3	117.8	T490	T490-R493 PolarHBondContact O-N 2.89Å
494	L	33	Very low	46.8	Very low	134 Å²	134	129.3 Å²	129.3	70%	0.702	65%	0.651	S	S	*	*			trans	-121.3	59.6	-178.2	-74.4	166.3	0	0	0	113.7
495	Y	37.2	Very low	49.1	Very low	141 Å²	141	133 Å²	133	55%	0.553	65%	0.65	S	S	*	*	S	Bend	trans	-145.9	119.7	147.2	-76.2	-73.8	0	0	0	107.5	R274 Y275	R274-Y495 WeakPolarHBondContact CD-OH 3.21Å; Y275-Y495 HydrophobicContact CE1-CD1 4.4Å; Y275-Y495 AromaticContact CE1-CE1 3.87Å; Y275-Y495 HydrophobicContact CE1-CE1 3.87Å
496	A	36.8	Very low	51.7	Low	92 Å²	92	128.7 Å²	128.7	76%	0.76	63%	0.632	S	S	*	*			trans	29.2	107.1	170.2	0	0	0	0	0	114.3	K498	A496-K498 VanDerWaalsContact C-N 3.34Å; A496-K498 PolarHBondContact O-N 3.47Å
497	T	40.5	Very low	54.6	Low	145 Å²	145	120.6 Å²	120.6	89%	0.89	60%	0.604	S	S	*	*			trans	-39.3	104.8	166.4	33.5	0	0	0	0	107.9	S499	T497-S499 PolarHBondContact O-N 2.96Å
498	K	46.3	Very low	57.3	Low	193 Å²	193	118.2 Å²	118.2	84%	0.839	59%	0.592	S	S	*	*			trans	-53.5	110.6	-176.3	-172.8	180	-177.7	-178.5	0	104.5	A496 L500	A496-K498 VanDerWaalsContact C-N 3.34Å; A496-K498 PolarHBondContact O-N 3.47Å; K498-L500 PolarHBondContact O-N 3.32Å
499	S	53.6	Low	60	Low	55 Å²	55	114.4 Å²	114.4	39%	0.385	57%	0.568	S	S	.	*	P	Polyproline II helix	trans	-51.1	118.3	-171.9	62.1	0	0	0	0	107.1	T497 T501 R555	T497-S499 PolarHBondContact O-N 2.96Å; S499-T501 PolarHBondContact O-N 2.89Å; S499-T501 VanDerWaalsContact O-N 3.1Å; S499-R555 WeakPolarHBondContact OG-CD 3.45Å; S499-R555 PolarHBondContact OG-NE 3.08Å
500	L	70	Confident	62.7	Low	98 Å²	98	109.1 Å²	109.1	51%	0.513	54%	0.543	S	S	.	.	P	Polyproline II helix	trans	-58.6	121	-172.6	-71.7	167	0	0	0	108	K498 R555 V556 M558	K498-L500 PolarHBondContact O-N 3.32Å; L500-R555 WeakPolarHBondContact O-CA 3.29Å; L500-V556 HydrophobicContact CB-CB 4.1Å; L500-V556 PolarHBondContact O-N 3.29Å; L500-M558 HydrophobicContact CD1-CE 3.8Å
501	T	79	Confident	65.1	Low	97 Å²	97	109.1 Å²	109.1	60%	0.595	54%	0.544	S	S	*	.	B	Isolated β-bridge	trans	-76.2	135.5	172.1	48.8	0	0	0	0	108.2	S499 F503	S499-T501 PolarHBondContact O-N 2.89Å; S499-T501 VanDerWaalsContact O-N 3.1Å; T501-F503 PolarHBondContact O-N 2.88Å
502	R	82.9	Confident	67.4	Low	75 Å²	75	107.5 Å²	107.5	28%	0.283	53%	0.534	S	S	.	.			trans	-60.7	114.9	176.3	178.4	175.2	174.2	170.3	5.1	108.8	Y504 K505 Q550 Q552 H553 R554 V556	R502-Y504 HydrophobicContact CG-CD1 4.27Å; R502-Y504 HydrophobicContact CG-CD2 4.42Å; R502-Y504 HydrophobicContact CG-CE1 3.99Å; R502-Y504 HydrophobicContact CG-CE2 4.16Å; R502-Y504 HydrophobicContact CG-CG 4.46Å; R502-Y504 PolarHBondContact NE-O 3.29Å; R502-K505 PolarHBondContact NH2-O 3.11Å; R502-Q550 PolarHBondContact NH1-O 2.71Å; R502-Q552 VanDerWaalsContact CD-O 3.31Å; R502-Q552 WeakPolarHBondContact CD-O 3.01Å; R502-Q552 PolarHBondContact NH1-O 3.34Å; R502-H553 WeakPolarHBondContact CB-O 3.03Å; R502-H553 WeakPolarHBondContact CD-O 3.47Å; R502-R554 PolarHBondContact N-O 2.99Å; R502-R554 VanDerWaalsContact N-O 3.09Å; R502-V556 HydrophobicContact CB-CG2 4.17Å
503	F	84.8	Confident	69.6	Low	138 Å²	138	98.9 Å²	98.9	61%	0.605	52%	0.521	S	S	*	.			trans	-105.3	-13.6	180	65.1	-94.4	0	0	0	112.8	T501 L521	T501-F503 PolarHBondContact O-N 2.88Å; F503-L521 HydrophobicContact CZ-CD1 4.3Å
504	Y	85.7	Confident	71.2	Confident	4 Å²	4	92.9 Å²	92.9	2%	0.016	52%	0.515	C	S	.	.			trans	-102	148.8	-174.7	57.4	-89.6	0	0	0	112.2	R502 V507 L521 D522 W549 Q552 V556	R502-Y504 HydrophobicContact CG-CD1 4.27Å; R502-Y504 HydrophobicContact CG-CD2 4.42Å; R502-Y504 HydrophobicContact CG-CE1 3.99Å; R502-Y504 HydrophobicContact CG-CE2 4.16Å; R502-Y504 HydrophobicContact CG-CG 4.46Å; R502-Y504 PolarHBondContact NE-O 3.29Å; Y504-V507 HydrophobicContact CD2-CG2 3.86Å; Y504-V507 HydrophobicContact CE2-CG2 3.79Å; Y504-L521 HydrophobicContact CD1-CB 4.41Å; Y504-L521 HydrophobicContact CD1-CD1 3.79Å; Y504-L521 HydrophobicContact CD1-CD2 4.29Å; Y504-L521 HydrophobicContact CD1-CG 4.39Å; Y504-L521 HydrophobicContact CD2-CD2 3.8Å; Y504-L521 HydrophobicContact CE1-CD1 4.07Å; Y504-L521 HydrophobicContact CE1-CD2 4.45Å; Y504-L521 HydrophobicContact CE2-CD2 3.98Å; Y504-L521 HydrophobicContact CG-CB 4.01Å; Y504-L521 HydrophobicContact CG-CD1 4.18Å; Y504-L521 HydrophobicContact CG-CD2 3.98Å; Y504-L521 HydrophobicContact CG-CG 4.28Å; Y504-D522 VanDerWaalsContact CA-OD2 3.23Å; Y504-D522 WeakPolarHBondContact CA-OD2 3.41Å; Y504-W549 AromaticContact CE1-CE3 3.84Å; Y504-W549 HydrophobicContact CE1-CE3 3.84Å; Y504-W549 AromaticContact CE1-CZ3 4Å; Y504-W549 HydrophobicContact CE1-CZ3 4Å; Y504-W549 HydrophobicContact CE2-CE3 4.49Å; Y504-W549 WeakPolarHBondContact CE2-O 3.22Å; Y504-W549 AromaticContact CZ-CE3 3.65Å; Y504-W549 PolarHBondContact OH-O 3.21Å; Y504-Q552 WeakPolarHBondContact OH-CB 3.12Å; Y504-V556 HydrophobicContact CE1-CG2 4.13Å
505	K	84.8	Confident	73.1	Confident	169 Å²	169	92.1 Å²	92.1	74%	0.735	51%	0.508	S	S	*	.	S	Bend	trans	-102.9	-48.4	179.8	-66.9	-177.3	-177.9	178.5	0	112.3	R502 D522	R502-K505 PolarHBondContact NH2-O 3.11Å; K505-D522 WeakPolarHBondContact CA-OD1 3.48Å; K505-D522 PolarHBondContact N-OD1 3.39Å; K505-D522 PolarHBondContact N-OD2 3.18Å
506	T	86	Confident	75.5	Confident	71 Å²	71	91.8 Å²	91.8	44%	0.436	51%	0.505	S	S	.	.			trans	-110.2	147.6	-179.7	64.9	0	0	0	0	111.1	D508 D522	T506-D508 PolarHBondContact OG1-OD2 3.28Å; T506-D522 PolarHBondContact N-OD1 2.73Å; T506-D522 PolarHBondContact O-N 3.23Å; T506-D522 PolarHBondContact OG1-OD1 3.25Å
507	V	91.2	Very high	78	Confident	22 Å²	22	88.9 Å²	88.9	13%	0.133	48%	0.475	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	117.7	173.4	-175.5	0	0	0	0	107	Y504 I519 Q520 L521 A546 W549 Q550	Y504-V507 HydrophobicContact CD2-CG2 3.86Å; Y504-V507 HydrophobicContact CE2-CG2 3.79Å; V507-I519 HydrophobicContact CG1-CG2 3.7Å; V507-Q520 WeakPolarHBondContact CA-O 3.25Å; V507-L521 HydrophobicContact CB-CD2 4.31Å; V507-L521 HydrophobicContact CG1-CD2 4.01Å; V507-L521 HydrophobicContact CG2-CD2 3.62Å; V507-A546 HydrophobicContact CG1-CB 3.78Å; V507-W549 HydrophobicContact CG1-CB 4.06Å; V507-W549 HydrophobicContact CG2-CB 3.99Å; V507-Q550 HydrophobicContact CG2-CB 4.26Å
508	D	90.2	Very high	80.4	Confident	73 Å²	73	82 Å²	82	39%	0.39	43%	0.434	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	139.6	-173.2	-59.2	-62.4	0	0	0	109.9	T506 Q520	T506-D508 PolarHBondContact OG1-OD2 3.28Å; D508-Q520 PolarHBondContact N-O 2Å; D508-Q520 PolarHBondContact O-N 3.5Å
509	V	90.6	Very high	82.6	Confident	47 Å²	47	72.8 Å²	72.8	29%	0.285	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	117.8	171.5	179.3	0	0	0	0	107.8	F517 A542 A546	V509-F517 HydrophobicContact CG1-CB 4.06Å; V509-F517 HydrophobicContact CG1-CD1 4.16Å; V509-F517 HydrophobicContact CG1-CG 4.5Å; V509-A542 HydrophobicContact CG1-CB 3.72Å; V509-A542 HydrophobicContact CG2-CB 4.45Å; V509-A546 HydrophobicContact CG2-CB 3.61Å
510	V	89.1	Confident	84.4	Confident	46 Å²	46	72.2 Å²	72.2	28%	0.279	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	121.1	-178.5	-179.4	0	0	0	0	109.8	M512 A518 Q520	V510-M512 PolarHBondContact O-N 2.69Å; V510-A518 PolarHBondContact N-O 3.37Å; V510-A518 PolarHBondContact O-N 3.33Å; V510-Q520 HydrophobicContact CB-CG 4.5Å; V510-Q520 VanDerWaalsContact CG2-CD 3.45Å; V510-Q520 HydrophobicContact CG2-CG 3.94Å
511	P	86.6	Confident	85.4	Confident	85 Å²	85	68.1 Å²	68.1	55%	0.552	36%	0.363	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.9	124.6	172.6	27.9	-32.2	0	0	0	110	F517	P511-F517 HydrophobicContact CB-CD1 4.02Å; P511-F517 HydrophobicContact CB-CE1 3.93Å
512	M	80.6	Confident	85.9	Confident	95 Å²	95	66.9 Å²	66.9	47%	0.468	35%	0.353	S	S	.	.			trans	-106.4	76.6	173.8	-71.2	-169	62.4	0	0	109.1	V510 R516 A518 L533	V510-M512 PolarHBondContact O-N 2.69Å; M512-R516 CarbonylContact C-O 3.53Å; M512-R516 PolarHBondContact N-O 3.09Å; M512-A518 HydrophobicContact CG-CB 4.06Å; M512-A518 HydrophobicContact SD-CB 3.54Å; M512-A518 VanDerWaalsContact SD-CB 3.54Å; M512-L533 HydrophobicContact CE-CD2 3.87Å; M512-L533 HydrophobicContact SD-CD2 3.39Å; M512-L533 WeakPolarHBondContact SD-CD2 3.29Å
513	G	75.7	Confident	86	Confident	60 Å²	60	65.4 Å²	65.4	62%	0.619	36%	0.361	S	S	*	.	S	Bend	trans	88.6	-160.5	-173.4	0	0	0	0	0	112.6
514	S	70.9	Confident	86.2	Confident	110 Å²	110	67.8 Å²	67.8	77%	0.769	37%	0.366	S	S	*	.	S	Bend	trans	-81	-24.2	-173.3	52.3	0	0	0	0	114.8
515	E	73.4	Confident	86.4	Confident	119 Å²	119	70.3 Å²	70.3	56%	0.556	38%	0.383	S	S	*	.	S	Bend	trans	-133.2	12.6	-168.3	-61.2	-170.5	169.2	0	0	114.3	S537	E515-S537 WeakPolarHBondContact O-CA 3.05Å
516	R	86.1	Confident	86.7	Confident	133 Å²	133	63.1 Å²	63.1	50%	0.502	35%	0.352	S	S	.	.			trans	-137.7	137.2	-178.3	-58.5	-175.2	-178.7	-158.6	-1.4	110.9	M512 E535	M512-R516 CarbonylContact C-O 3.53Å; M512-R516 PolarHBondContact N-O 3.09Å; R516-E535 WeakPolarHBondContact CD-OE2 3.42Å; R516-E535 IonicContact CZ-OE1 2.68Å; R516-E535 IonicContact CZ-OE2 3.28Å; R516-E535 VanDerWaalsContact NH1-CD 3.31Å; R516-E535 IonicContact NH1-OE1 3.35Å; R516-E535 PolarHBondContact NH1-OE1 2.86Å; R516-E535 IonicContact NH1-OE2 3.78Å; R516-E535 PolarHBondContact NH1-OE2 3.34Å
517	F	89.9	Confident	86.9	Confident	31 Å²	31	67.6 Å²	67.6	14%	0.136	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	131.3	-179.5	-59.3	-88.6	0	0	0	109.1	V509 P511 E535 V536 E539 A542	V509-F517 HydrophobicContact CG1-CB 4.06Å; V509-F517 HydrophobicContact CG1-CD1 4.16Å; V509-F517 HydrophobicContact CG1-CG 4.5Å; P511-F517 HydrophobicContact CB-CD1 4.02Å; P511-F517 HydrophobicContact CB-CE1 3.93Å; F517-E535 WeakPolarHBondContact O-CA 3.19Å; F517-V536 PolarHBondContact N-O 2.81Å; F517-V536 PolarHBondContact O-N 2.9Å; F517-E539 HydrophobicContact CD2-CB 4.29Å; F517-E539 HydrophobicContact CE1-CB 4.04Å; F517-E539 HydrophobicContact CE1-CG 4.09Å; F517-E539 HydrophobicContact CE2-CB 3.79Å; F517-E539 HydrophobicContact CZ-CB 3.66Å; F517-E539 HydrophobicContact CZ-CG 4.19Å; F517-A542 HydrophobicContact CB-CB 3.6Å; F517-A542 HydrophobicContact CG-CB 4.3Å
518	A	91.1	Very high	86.9	Confident	1 Å²	1	66.8 Å²	66.8	1%	0.008	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	138.1	176.1	0	0	0	0	0	110.1	V510 M512 L533	V510-A518 PolarHBondContact N-O 3.37Å; V510-A518 PolarHBondContact O-N 3.33Å; M512-A518 HydrophobicContact CG-CB 4.06Å; M512-A518 HydrophobicContact SD-CB 3.54Å; M512-A518 VanDerWaalsContact SD-CB 3.54Å; A518-L533 HydrophobicContact CB-CD2 4.1Å; A518-L533 HydrophobicContact CB-CG 4.39Å
519	I	92.6	Very high	86.7	Confident	0 Å²	0	68.6 Å²	68.6	0%	0	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	132	175.4	-57.2	113	0	0	0	109.8	V507 I526 L534 V536 V545	V507-I519 HydrophobicContact CG1-CG2 3.7Å; I519-I526 HydrophobicContact CB-CD1 4.13Å; I519-I526 HydrophobicContact CG2-CD1 3.68Å; I519-I526 PolarHBondContact O-N 3.34Å; I519-I526 VanDerWaalsContact O-N 3.07Å; I519-L534 HydrophobicContact CD1-CD2 4.04Å; I519-L534 HydrophobicContact CD1-CG 4.19Å; I519-V536 HydrophobicContact CD1-CG2 4.46Å; I519-V545 HydrophobicContact CD1-CB 3.85Å; I519-V545 HydrophobicContact CD1-CG1 3.45Å; I519-V545 VanDerWaalsContact CD1-CG1 3.45Å; I519-V545 HydrophobicContact CG1-CB 4.42Å; I519-V545 HydrophobicContact CG1-CG1 4.1Å
520	Q	91.6	Very high	86.5	Confident	42 Å²	42	71.9 Å²	71.9	20%	0.196	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	142.2	178.4	-59.2	-170.8	-4.3	0	0	111.6	V507 D508 V510 G523 R524 P525	V507-Q520 WeakPolarHBondContact CA-O 3.25Å; D508-Q520 PolarHBondContact N-O 2Å; D508-Q520 PolarHBondContact O-N 3.5Å; V510-Q520 HydrophobicContact CB-CG 4.5Å; V510-Q520 VanDerWaalsContact CG2-CD 3.45Å; V510-Q520 HydrophobicContact CG2-CG 3.94Å; Q520-G523 PolarHBondContact OE1-O 3.48Å; Q520-R524 CarbonylContact C-O 3.53Å; Q520-R524 VanDerWaalsContact CA-O 3.28Å; Q520-R524 WeakPolarHBondContact CA-O 3.24Å; Q520-P525 HydrophobicContact CG-CB 4.49Å
521	L	90.9	Very high	86.3	Confident	12 Å²	12	71.2 Å²	71.2	6%	0.063	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	115.5	173.7	-56.6	176.8	0	0	0	108.4	F503 Y504 V507 G523 R524 I526 W549	F503-L521 HydrophobicContact CZ-CD1 4.3Å; Y504-L521 HydrophobicContact CD1-CB 4.41Å; Y504-L521 HydrophobicContact CD1-CD1 3.79Å; Y504-L521 HydrophobicContact CD1-CD2 4.29Å; Y504-L521 HydrophobicContact CD1-CG 4.39Å; Y504-L521 HydrophobicContact CD2-CD2 3.8Å; Y504-L521 HydrophobicContact CE1-CD1 4.07Å; Y504-L521 HydrophobicContact CE1-CD2 4.45Å; Y504-L521 HydrophobicContact CE2-CD2 3.98Å; Y504-L521 HydrophobicContact CG-CB 4.01Å; Y504-L521 HydrophobicContact CG-CD1 4.18Å; Y504-L521 HydrophobicContact CG-CD2 3.98Å; Y504-L521 HydrophobicContact CG-CG 4.28Å; V507-L521 HydrophobicContact CB-CD2 4.31Å; V507-L521 HydrophobicContact CG1-CD2 4.01Å; V507-L521 HydrophobicContact CG2-CD2 3.62Å; L521-G523 PolarHBondContact O-N 3.33Å; L521-R524 PolarHBondContact N-O 3.29Å; L521-R524 WeakPolarHBondContact O-CB 3.26Å; L521-R524 PolarHBondContact O-N 2.92Å; L521-I526 HydrophobicContact CD1-CD1 3.93Å; L521-I526 HydrophobicContact CD1-CG1 3.81Å; L521-I526 HydrophobicContact CD2-CD1 3.93Å; L521-I526 HydrophobicContact CD2-CG1 4.4Å; L521-I526 HydrophobicContact CG-CD1 3.75Å; L521-I526 HydrophobicContact CG-CG1 3.68Å; L521-W549 HydrophobicContact CD1-CE3 3.87Å; L521-W549 HydrophobicContact CD1-CZ3 3.9Å; L521-W549 HydrophobicContact CD2-CB 4.22Å; L521-W549 HydrophobicContact CD2-CD2 4.28Å; L521-W549 HydrophobicContact CD2-CE3 4.06Å; L521-W549 HydrophobicContact CD2-CG 4.33Å
522	D	89.4	Confident	86.5	Confident	72 Å²	72	70.6 Å²	70.6	39%	0.385	38%	0.382	S	S	.	.	T	Hydrogen-bonded Turn	trans	45.9	43.1	-172.3	-64.4	-18.5	0	0	0	112.6	Y504 K505 T506 R524	Y504-D522 VanDerWaalsContact CA-OD2 3.23Å; Y504-D522 WeakPolarHBondContact CA-OD2 3.41Å; K505-D522 WeakPolarHBondContact CA-OD1 3.48Å; K505-D522 PolarHBondContact N-OD1 3.39Å; K505-D522 PolarHBondContact N-OD2 3.18Å; T506-D522 PolarHBondContact N-OD1 2.73Å; T506-D522 PolarHBondContact O-N 3.23Å; T506-D522 PolarHBondContact OG1-OD1 3.25Å; D522-R524 VanDerWaalsContact C-N 3.31Å; D522-R524 PolarHBondContact O-N 2.93Å
523	G	85.3	Confident	87	Confident	43 Å²	43	68 Å²	68	44%	0.443	37%	0.37	S	S	.	.	T	Hydrogen-bonded Turn	trans	77.4	1.6	-177.7	0	0	0	0	0	116.1	Q520 L521	Q520-G523 PolarHBondContact OE1-O 3.48Å; L521-G523 PolarHBondContact O-N 3.33Å
524	R	89.3	Confident	87.7	Confident	188 Å²	188	65.1 Å²	65.1	71%	0.709	34%	0.34	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98.7	125.4	175.1	-64.6	-177.1	-178.8	179.6	1.2	111.2	Q520 L521 D522	Q520-R524 CarbonylContact C-O 3.53Å; Q520-R524 VanDerWaalsContact CA-O 3.28Å; Q520-R524 WeakPolarHBondContact CA-O 3.24Å; L521-R524 PolarHBondContact N-O 3.29Å; L521-R524 WeakPolarHBondContact O-CB 3.26Å; L521-R524 PolarHBondContact O-N 2.92Å; D522-R524 VanDerWaalsContact C-N 3.31Å; D522-R524 PolarHBondContact O-N 2.93Å
525	P	89.8	Confident	88.7	Confident	58 Å²	58	63.2 Å²	63.2	38%	0.377	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.9	138.9	178.1	23.1	-31	0	0	0	112.8	Q520 L533	Q520-P525 HydrophobicContact CG-CB 4.49Å; P525-L533 HydrophobicContact CB-CD1 3.34Å; P525-L533 HydrophobicContact CG-CD1 4.28Å
526	I	90.4	Very high	89.5	Confident	17 Å²	17	57.9 Å²	57.9	9%	0.087	30%	0.295	C	S	.	.	P	Polyproline II helix	trans	-73.4	134.7	172.8	-57.5	177	0	0	0	109.2	I519 L521 L534 W549	I519-I526 HydrophobicContact CB-CD1 4.13Å; I519-I526 HydrophobicContact CG2-CD1 3.68Å; I519-I526 PolarHBondContact O-N 3.34Å; I519-I526 VanDerWaalsContact O-N 3.07Å; L521-I526 HydrophobicContact CD1-CD1 3.93Å; L521-I526 HydrophobicContact CD1-CG1 3.81Å; L521-I526 HydrophobicContact CD2-CD1 3.93Å; L521-I526 HydrophobicContact CD2-CG1 4.4Å; L521-I526 HydrophobicContact CG-CD1 3.75Å; L521-I526 HydrophobicContact CG-CG1 3.68Å; I526-L534 HydrophobicContact CB-CB 4.12Å; I526-L534 HydrophobicContact CB-CD2 4.1Å; I526-L534 HydrophobicContact CD1-CD2 4.37Å; I526-L534 HydrophobicContact CG2-CB 4.15Å; I526-L534 HydrophobicContact CG2-CD2 3.78Å; I526-L534 WeakPolarHBondContact O-CB 3.36Å; I526-L534 PolarHBondContact O-N 3.12Å; I526-W549 HydrophobicContact CD1-CD2 3.89Å; I526-W549 HydrophobicContact CD1-CG 4.12Å; I526-W549 HydrophobicContact CD1-CZ2 4.08Å; I526-W549 HydrophobicContact CG2-CZ2 4.34Å
527	R	90.3	Very high	89.4	Confident	165 Å²	165	55 Å²	55	62%	0.623	29%	0.294	S	S	*	.	B	Isolated β-bridge	trans	-112.8	146.2	175.1	-67.6	-177.3	179.3	-99.7	0.1	111.2	G531 N532	R527-G531 PolarHBondContact NH1-O 2.82Å; R527-N532 CarbonylContact C-O 3.47Å; R527-N532 WeakPolarHBondContact CA-O 3.19Å; R527-N532 WeakPolarHBondContact CB-O 3Å
528	T	90.5	Very high	89.3	Confident	6 Å²	6	54.1 Å²	54.1	4%	0.037	29%	0.293	C	S	.	.			trans	-70.3	164.1	170.9	73	0	0	0	0	110.6	L530 G531 N532 I568 I571 D572	T528-L530 PolarHBondContact O-N 3.37Å; T528-G531 WeakPolarHBondContact O-CA 3.49Å; T528-G531 PolarHBondContact O-N 2.81Å; T528-N532 HydrophobicContact CG2-CB 4.19Å; T528-N532 PolarHBondContact N-O 3.08Å; T528-N532 WeakPolarHBondContact OG1-CB 3.33Å; T528-N532 PolarHBondContact OG1-N 2.76Å; T528-N532 VanDerWaalsContact OG1-N 3.12Å; T528-N532 PolarHBondContact OG1-O 2.96Å; T528-I568 HydrophobicContact CG2-CG1 4.28Å; T528-I568 HydrophobicContact CG2-CG2 4.49Å; T528-I571 HydrophobicContact CG2-CB 4.29Å; T528-I571 HydrophobicContact CG2-CD1 4.26Å; T528-I571 HydrophobicContact CG2-CG2 4.05Å; T528-D572 VanDerWaalsContact CB-CG 3.49Å; T528-D572 WeakPolarHBondContact CB-OD1 3.14Å; T528-D572 WeakPolarHBondContact CB-OD2 3.28Å; T528-D572 VanDerWaalsContact OG1-CG 3.24Å; T528-D572 PolarHBondContact OG1-OD1 2.93Å; T528-D572 PolarHBondContact OG1-OD2 3.31Å
529	P	85.8	Confident	89.2	Confident	111 Å²	111	56.8 Å²	56.8	72%	0.721	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.8	-31.1	174.3	-28.4	36.8	0	0	0	114.8	G531 I568 D572	P529-G531 PolarHBondContact O-N 3.35Å; P529-I568 VanDerWaalsContact CD-CG2 3.47Å; P529-I568 HydrophobicContact CG-CG2 4.2Å; P529-D572 WeakPolarHBondContact CD-OD2 3.2Å
530	L	86.6	Confident	89.1	Confident	115 Å²	115	58.8 Å²	58.8	60%	0.602	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.1	1.8	173.4	-61.4	-177.2	0	0	0	113.9	T528 N532 D572	T528-L530 PolarHBondContact O-N 3.37Å; L530-N532 VanDerWaalsContact C-N 3.34Å; L530-D572 HydrophobicContact CD1-CB 3.64Å; L530-D572 HydrophobicContact CG-CB 4.03Å; L530-D572 WeakPolarHBondContact CG-OD2 3.18Å; L530-D572 PolarHBondContact N-OD2 3.16Å; L530-D572 VanDerWaalsContact N-OD2 3.16Å
531	G	86	Confident	89.1	Confident	32 Å²	32	56.8 Å²	56.8	33%	0.33	31%	0.309	S	S	.	.	S	Bend	trans	86.3	2.4	177.1	0	0	0	0	0	114.6	R527 T528 P529	R527-G531 PolarHBondContact NH1-O 2.82Å; T528-G531 WeakPolarHBondContact O-CA 3.49Å; T528-G531 PolarHBondContact O-N 2.81Å; P529-G531 PolarHBondContact O-N 3.35Å
532	N	90.6	Very high	89.1	Confident	72 Å²	72	56.2 Å²	56.2	39%	0.385	31%	0.306	S	S	.	.			trans	-68.1	154.8	174.1	-59.4	-46.2	0	0	0	110.1	R527 T528 L530 I571 D572	R527-N532 CarbonylContact C-O 3.47Å; R527-N532 WeakPolarHBondContact CA-O 3.19Å; R527-N532 WeakPolarHBondContact CB-O 3Å; T528-N532 HydrophobicContact CG2-CB 4.19Å; T528-N532 PolarHBondContact N-O 3.08Å; T528-N532 WeakPolarHBondContact OG1-CB 3.33Å; T528-N532 PolarHBondContact OG1-N 2.76Å; T528-N532 VanDerWaalsContact OG1-N 3.12Å; T528-N532 PolarHBondContact OG1-O 2.96Å; L530-N532 VanDerWaalsContact C-N 3.34Å; N532-I571 HydrophobicContact CB-CG2 3.73Å; N532-D572 PolarHBondContact ND2-OD1 2.98Å
533	L	90.6	Very high	89.3	Confident	41 Å²	41	57.5 Å²	57.5	22%	0.215	31%	0.31	C	S	.	.	B	Isolated β-bridge	trans	-73.5	136.6	174	-176	62.7	0	0	0	109.4	M512 A518 P525 E535	M512-L533 HydrophobicContact CE-CD2 3.87Å; M512-L533 HydrophobicContact SD-CD2 3.39Å; M512-L533 WeakPolarHBondContact SD-CD2 3.29Å; A518-L533 HydrophobicContact CB-CD2 4.1Å; A518-L533 HydrophobicContact CB-CG 4.39Å; P525-L533 HydrophobicContact CB-CD1 3.34Å; P525-L533 HydrophobicContact CG-CD1 4.28Å; L533-E535 PolarHBondContact O-N 3.5Å
534	L	91.5	Very high	89.6	Confident	0 Å²	0	56.5 Å²	56.5	0%	0	30%	0.298	C	S	.	.			trans	-73.7	78.7	171.7	-173.5	65	0	0	0	109.3	I519 I526 V545 T564 I568 I571	I519-L534 HydrophobicContact CD1-CD2 4.04Å; I519-L534 HydrophobicContact CD1-CG 4.19Å; I526-L534 HydrophobicContact CB-CB 4.12Å; I526-L534 HydrophobicContact CB-CD2 4.1Å; I526-L534 HydrophobicContact CD1-CD2 4.37Å; I526-L534 HydrophobicContact CG2-CB 4.15Å; I526-L534 HydrophobicContact CG2-CD2 3.78Å; I526-L534 WeakPolarHBondContact O-CB 3.36Å; I526-L534 PolarHBondContact O-N 3.12Å; L534-V545 HydrophobicContact CD2-CG1 4.35Å; L534-T564 HydrophobicContact CD2-CG2 4.33Å; L534-I568 HydrophobicContact CD1-CG1 3.9Å; L534-I571 HydrophobicContact CD1-CD1 3.92Å
535	E	90.2	Very high	89.8	Confident	69 Å²	69	47.6 Å²	47.6	32%	0.322	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	138.8	176.9	64.3	175.9	-173.8	0	0	111.2	R516 F517 L533 I571	R516-E535 WeakPolarHBondContact CD-OE2 3.42Å; R516-E535 IonicContact CZ-OE1 2.68Å; R516-E535 IonicContact CZ-OE2 3.28Å; R516-E535 VanDerWaalsContact NH1-CD 3.31Å; R516-E535 IonicContact NH1-OE1 3.35Å; R516-E535 PolarHBondContact NH1-OE1 2.86Å; R516-E535 IonicContact NH1-OE2 3.78Å; R516-E535 PolarHBondContact NH1-OE2 3.34Å; F517-E535 WeakPolarHBondContact O-CA 3.19Å; L533-E535 PolarHBondContact O-N 3.5Å; E535-I571 WeakPolarHBondContact O-CD1 3.4Å
536	V	90.3	Very high	90	Very high	8 Å²	8	45.3 Å²	45.3	5%	0.048	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	142.7	179.5	-180	0	0	0	0	109	F517 I519 L541	F517-V536 PolarHBondContact N-O 2.81Å; F517-V536 PolarHBondContact O-N 2.9Å; I519-V536 HydrophobicContact CD1-CG2 4.46Å; V536-L541 HydrophobicContact CG1-CB 3.77Å; V536-L541 HydrophobicContact CG1-CD2 3.39Å; V536-L541 HydrophobicContact CG1-CG 3.58Å
537	S	85.8	Confident	90.1	Very high	71 Å²	71	50 Å²	50	50%	0.497	28%	0.275	S	S	.	.	S	Bend	trans	-81.8	-18.2	-177.1	49.2	0	0	0	0	114.8	E515	E515-S537 WeakPolarHBondContact O-CA 3.05Å
538	S	86.8	Confident	90.2	Very high	14 Å²	14	43.5 Å²	43.5	10%	0.098	25%	0.251	C	S	.	.			trans	-113.9	134.8	-179.4	57.2	0	0	0	0	112.7	L541 A542 F731	S538-L541 PolarHBondContact O-N 2.72Å; S538-L541 WeakPolarHBondContact OG-CB 3.21Å; S538-A542 PolarHBondContact O-N 2.79Å; S538-F731 WeakPolarHBondContact CB-O 3.44Å; S538-F731 PolarHBondContact OG-O 3.2Å
539	E	88.3	Confident	90.3	Very high	56 Å²	56	44 Å²	44	26%	0.262	25%	0.252	S	S	.	.	H	α-helix	trans	-62.1	-45.7	178	-174.8	-177.8	-169.9	0	0	112.1	F517 L541 A542 M543 T738	F517-E539 HydrophobicContact CD2-CB 4.29Å; F517-E539 HydrophobicContact CE1-CB 4.04Å; F517-E539 HydrophobicContact CE1-CG 4.09Å; F517-E539 HydrophobicContact CE2-CB 3.79Å; F517-E539 HydrophobicContact CZ-CB 3.66Å; F517-E539 HydrophobicContact CZ-CG 4.19Å; E539-L541 VanDerWaalsContact C-N 3.31Å; E539-L541 PolarHBondContact O-N 2.65Å; E539-A542 WeakPolarHBondContact O-CB 3.33Å; E539-A542 PolarHBondContact O-N 2.87Å; E539-A542 VanDerWaalsContact O-N 3.14Å; E539-M543 WeakPolarHBondContact O-CG 3.45Å; E539-M543 PolarHBondContact O-N 3.03Å; E539-T738 PolarHBondContact OE2-OG1 3.32Å
540	P	90.8	Very high	90.5	Very high	42 Å²	42	42.8 Å²	42.8	27%	0.273	24%	0.238	S	C	.	.	H	α-helix	trans	-60.9	-37.6	178.6	-24.9	35.9	0	0	0	113.2	M543 A544 F731	P540-M543 PolarHBondContact O-N 3.09Å; P540-A544 WeakPolarHBondContact O-CB 3.44Å; P540-A544 PolarHBondContact O-N 3.27Å; P540-F731 HydrophobicContact CB-CD1 3.82Å; P540-F731 HydrophobicContact CB-CE1 3.65Å; P540-F731 HydrophobicContact CB-CG 4.47Å; P540-F731 HydrophobicContact CB-CZ 4.15Å
541	L	91.9	Very high	90.7	Very high	1 Å²	1	40.6 Å²	40.6	1%	0.005	23%	0.232	C	C	.	.	H	α-helix	trans	-70.2	-38.7	176.3	-179.4	56.8	0	0	0	111.6	V536 S538 E539 M543 A544 V545 L563 F728 F731 N732	V536-L541 HydrophobicContact CG1-CB 3.77Å; V536-L541 HydrophobicContact CG1-CD2 3.39Å; V536-L541 HydrophobicContact CG1-CG 3.58Å; S538-L541 PolarHBondContact O-N 2.72Å; S538-L541 WeakPolarHBondContact OG-CB 3.21Å; E539-L541 VanDerWaalsContact C-N 3.31Å; E539-L541 PolarHBondContact O-N 2.65Å; L541-M543 VanDerWaalsContact C-N 3.32Å; L541-M543 PolarHBondContact O-N 2.97Å; L541-A544 PolarHBondContact O-N 3.18Å; L541-V545 HydrophobicContact CD1-CG2 4.25Å; L541-V545 WeakPolarHBondContact O-CG2 3.18Å; L541-V545 PolarHBondContact O-N 3.27Å; L541-L563 HydrophobicContact CD1-CB 4.46Å; L541-L563 HydrophobicContact CD1-CD1 4.46Å; L541-L563 HydrophobicContact CD1-CD2 4.23Å; L541-F728 HydrophobicContact CD1-CD2 3.92Å; L541-F728 HydrophobicContact CD1-CE2 4.47Å; L541-F728 HydrophobicContact CD2-CD2 3.72Å; L541-F728 HydrophobicContact CD2-CE2 3.69Å; L541-F728 HydrophobicContact CG-CD2 4.47Å; L541-F731 HydrophobicContact CB-CB 3.8Å; L541-F731 HydrophobicContact CB-CD2 3.96Å; L541-F731 HydrophobicContact CB-CG 4.14Å; L541-F731 HydrophobicContact CD1-CD2 4.06Å; L541-F731 HydrophobicContact CD2-CB 4.4Å; L541-N732 WeakPolarHBondContact CD2-ND2 3.38Å
542	A	91.9	Very high	90.8	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-62.2	-41.1	174.4	0	0	0	0	0	111.6	V509 F517 S538 E539 A546	V509-A542 HydrophobicContact CG1-CB 3.72Å; V509-A542 HydrophobicContact CG2-CB 4.45Å; F517-A542 HydrophobicContact CB-CB 3.6Å; F517-A542 HydrophobicContact CG-CB 4.3Å; S538-A542 PolarHBondContact O-N 2.79Å; E539-A542 WeakPolarHBondContact O-CB 3.33Å; E539-A542 PolarHBondContact O-N 2.87Å; E539-A542 VanDerWaalsContact O-N 3.14Å; A542-A546 WeakPolarHBondContact O-CB 3.27Å; A542-A546 PolarHBondContact O-N 2.9Å
543	M	92.1	Very high	90.5	Very high	98 Å²	98	44 Å²	44	48%	0.483	24%	0.236	S	C	.	.	H	α-helix	trans	-62.4	-45.3	172.1	-72.7	-176.4	160.3	0	0	112.2	E539 P540 L541 V545 A546 I547	E539-M543 WeakPolarHBondContact O-CG 3.45Å; E539-M543 PolarHBondContact O-N 3.03Å; P540-M543 PolarHBondContact O-N 3.09Å; L541-M543 VanDerWaalsContact C-N 3.32Å; L541-M543 PolarHBondContact O-N 2.97Å; M543-V545 PolarHBondContact O-N 3.49Å; M543-A546 WeakPolarHBondContact O-CB 3.42Å; M543-A546 PolarHBondContact O-N 3.4Å; M543-I547 WeakPolarHBondContact O-CG1 3.4Å; M543-I547 PolarHBondContact O-N 2.94Å
544	A	92.7	Very high	90.1	Very high	23 Å²	23	53 Å²	53	19%	0.19	27%	0.267	C	S	.	.	H	α-helix	trans	-62.2	-42.3	179	0	0	0	0	0	112.1	P540 L541 I547 E548 L563	P540-A544 WeakPolarHBondContact O-CB 3.44Å; P540-A544 PolarHBondContact O-N 3.27Å; L541-A544 PolarHBondContact O-N 3.18Å; A544-I547 PolarHBondContact O-N 3.5Å; A544-E548 PolarHBondContact O-N 3.3Å; A544-L563 HydrophobicContact CB-CD1 3.63Å
545	V	93.9	Very high	89.6	Confident	0 Å²	0	61.2 Å²	61.2	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-64.6	-41.5	173.9	174.1	0	0	0	0	110.9	I519 L534 L541 M543 I547 E548 W549 L563	I519-V545 HydrophobicContact CD1-CB 3.85Å; I519-V545 HydrophobicContact CD1-CG1 3.45Å; I519-V545 VanDerWaalsContact CD1-CG1 3.45Å; I519-V545 HydrophobicContact CG1-CB 4.42Å; I519-V545 HydrophobicContact CG1-CG1 4.1Å; L534-V545 HydrophobicContact CD2-CG1 4.35Å; L541-V545 HydrophobicContact CD1-CG2 4.25Å; L541-V545 WeakPolarHBondContact O-CG2 3.18Å; L541-V545 PolarHBondContact O-N 3.27Å; M543-V545 PolarHBondContact O-N 3.49Å; V545-I547 VanDerWaalsContact C-N 3.28Å; V545-I547 PolarHBondContact O-N 3.38Å; V545-E548 WeakPolarHBondContact O-CB 3.43Å; V545-E548 PolarHBondContact O-N 3.05Å; V545-E548 VanDerWaalsContact O-N 3.17Å; V545-W549 VanDerWaalsContact O-CD1 3.27Å; V545-W549 PolarHBondContact O-N 3.44Å; V545-W549 VanDerWaalsContact O-N 3.1Å; V545-L563 HydrophobicContact CG2-CB 3.9Å
546	A	92.9	Very high	89.3	Confident	11 Å²	11	58.5 Å²	58.5	9%	0.091	29%	0.287	C	S	.	.	H	α-helix	trans	-59.9	-39.6	175.5	0	0	0	0	0	112.2	V507 V509 A542 M543 W549 Q550	V507-A546 HydrophobicContact CG1-CB 3.78Å; V509-A546 HydrophobicContact CG2-CB 3.61Å; A542-A546 WeakPolarHBondContact O-CB 3.27Å; A542-A546 PolarHBondContact O-N 2.9Å; M543-A546 WeakPolarHBondContact O-CB 3.42Å; M543-A546 PolarHBondContact O-N 3.4Å; A546-W549 PolarHBondContact O-N 2.91Å; A546-Q550 WeakPolarHBondContact O-CB 3.43Å; A546-Q550 PolarHBondContact O-N 2.8Å
547	I	92.4	Very high	89	Confident	115 Å²	115	61 Å²	61	59%	0.59	30%	0.299	S	S	*	.	H	α-helix	trans	-64.6	-42.5	174.6	-66.9	165.6	0	0	0	111.2	M543 A544 V545 W549 Q550 S551	M543-I547 WeakPolarHBondContact O-CG1 3.4Å; M543-I547 PolarHBondContact O-N 2.94Å; A544-I547 PolarHBondContact O-N 3.5Å; V545-I547 VanDerWaalsContact C-N 3.28Å; V545-I547 PolarHBondContact O-N 3.38Å; I547-W549 VanDerWaalsContact C-N 3.29Å; I547-W549 PolarHBondContact O-N 3.36Å; I547-Q550 PolarHBondContact O-N 3.16Å; I547-S551 WeakPolarHBondContact O-CB 3.21Å; I547-S551 PolarHBondContact O-N 3.28Å; I547-S551 PolarHBondContact O-OG 3.4Å
548	E	92.9	Very high	88.9	Confident	28 Å²	28	60.9 Å²	60.9	13%	0.131	29%	0.292	C	S	.	.	H	α-helix	trans	-55.1	-45.7	174.5	-75.2	-166.7	155.8	0	0	111.4	A544 V545 S551 Q552 M561 R562 L563 T564	A544-E548 PolarHBondContact O-N 3.3Å; V545-E548 WeakPolarHBondContact O-CB 3.43Å; V545-E548 PolarHBondContact O-N 3.05Å; V545-E548 VanDerWaalsContact O-N 3.17Å; E548-S551 PolarHBondContact O-OG 3.48Å; E548-Q552 WeakPolarHBondContact O-CG 3.35Å; E548-Q552 PolarHBondContact O-NE2 3.05Å; E548-M561 HydrophobicContact CB-CG 4.25Å; E548-M561 WeakPolarHBondContact OE2-CA 3.37Å; E548-R562 PolarHBondContact OE1-N 3.07Å; E548-R562 VanDerWaalsContact OE1-N 3.09Å; E548-L563 WeakPolarHBondContact OE1-CB 3.46Å; E548-L563 WeakPolarHBondContact OE1-CG 3.43Å; E548-L563 PolarHBondContact OE1-N 3.39Å; E548-L563 PolarHBondContact OE2-N 3.36Å; E548-T564 WeakPolarHBondContact OE2-CB 3.28Å; E548-T564 PolarHBondContact OE2-N 3.48Å; E548-T564 PolarHBondContact OE2-OG1 2.81Å
549	W	92.4	Very high	88.8	Confident	16 Å²	16	66.5 Å²	66.5	6%	0.061	32%	0.321	C	S	.	.	H	α-helix	trans	-69.1	-38	177.9	-80.6	93.6	0	0	0	112.9	Y504 V507 L521 I526 V545 A546 I547 Q552 V556 M558 M561 T564	Y504-W549 AromaticContact CE1-CE3 3.84Å; Y504-W549 HydrophobicContact CE1-CE3 3.84Å; Y504-W549 AromaticContact CE1-CZ3 4Å; Y504-W549 HydrophobicContact CE1-CZ3 4Å; Y504-W549 HydrophobicContact CE2-CE3 4.49Å; Y504-W549 WeakPolarHBondContact CE2-O 3.22Å; Y504-W549 AromaticContact CZ-CE3 3.65Å; Y504-W549 PolarHBondContact OH-O 3.21Å; V507-W549 HydrophobicContact CG1-CB 4.06Å; V507-W549 HydrophobicContact CG2-CB 3.99Å; L521-W549 HydrophobicContact CD1-CE3 3.87Å; L521-W549 HydrophobicContact CD1-CZ3 3.9Å; L521-W549 HydrophobicContact CD2-CB 4.22Å; L521-W549 HydrophobicContact CD2-CD2 4.28Å; L521-W549 HydrophobicContact CD2-CE3 4.06Å; L521-W549 HydrophobicContact CD2-CG 4.33Å; I526-W549 HydrophobicContact CD1-CD2 3.89Å; I526-W549 HydrophobicContact CD1-CG 4.12Å; I526-W549 HydrophobicContact CD1-CZ2 4.08Å; I526-W549 HydrophobicContact CG2-CZ2 4.34Å; V545-W549 VanDerWaalsContact O-CD1 3.27Å; V545-W549 PolarHBondContact O-N 3.44Å; V545-W549 VanDerWaalsContact O-N 3.1Å; A546-W549 PolarHBondContact O-N 2.91Å; I547-W549 VanDerWaalsContact C-N 3.29Å; I547-W549 PolarHBondContact O-N 3.36Å; W549-Q552 WeakPolarHBondContact O-CG 3.25Å; W549-V556 HydrophobicContact CZ3-CG1 4.15Å; W549-M558 HydrophobicContact CH2-CE 3.69Å; W549-M558 HydrophobicContact CZ2-CE 4.25Å; W549-M561 HydrophobicContact CD2-SD 4.08Å; W549-M561 HydrophobicContact CE3-SD 4.39Å; W549-M561 HydrophobicContact CG-SD 4.4Å; W549-M561 HydrophobicContact CH2-CE 4.35Å; W549-M561 HydrophobicContact CZ2-CE 4.36Å; W549-T564 HydrophobicContact CZ2-CG2 3.87Å; W549-T564 VanDerWaalsContact NE1-CG2 3.34Å; W549-T564 PolarHBondContact NE1-OG1 2.85Å; W549-T564 VanDerWaalsContact NE1-OG1 3.16Å
550	Q	90.5	Very high	88.7	Confident	87 Å²	87	69.8 Å²	69.8	41%	0.407	34%	0.336	S	S	.	.	H	α-helix	trans	-69.4	-33.8	179.1	-174.1	60.5	24	0	0	112.3	R502 V507 A546 I547 Q552	R502-Q550 PolarHBondContact NH1-O 2.71Å; V507-Q550 HydrophobicContact CG2-CB 4.26Å; A546-Q550 WeakPolarHBondContact O-CB 3.43Å; A546-Q550 PolarHBondContact O-N 2.8Å; I547-Q550 PolarHBondContact O-N 3.16Å; Q550-Q552 PolarHBondContact O-N 2.83Å
551	S	90.2	Very high	88.7	Confident	68 Å²	68	67.8 Å²	67.8	48%	0.476	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-13.6	-179.5	74.1	0	0	0	0	114.3	I547 E548	I547-S551 WeakPolarHBondContact O-CB 3.21Å; I547-S551 PolarHBondContact O-N 3.28Å; I547-S551 PolarHBondContact O-OG 3.4Å; E548-S551 PolarHBondContact O-OG 3.48Å
552	Q	88.4	Confident	88.8	Confident	14 Å²	14	69 Å²	69	7%	0.065	33%	0.328	C	S	.	.			trans	-65.6	135.8	-178.5	-59.4	-57.4	-55.4	0	0	112	R502 Y504 E548 W549 Q550 V556 M561	R502-Q552 VanDerWaalsContact CD-O 3.31Å; R502-Q552 WeakPolarHBondContact CD-O 3.01Å; R502-Q552 PolarHBondContact NH1-O 3.34Å; Y504-Q552 WeakPolarHBondContact OH-CB 3.12Å; E548-Q552 WeakPolarHBondContact O-CG 3.35Å; E548-Q552 PolarHBondContact O-NE2 3.05Å; W549-Q552 WeakPolarHBondContact O-CG 3.25Å; Q550-Q552 PolarHBondContact O-N 2.83Å; Q552-V556 HydrophobicContact CB-CG2 4.4Å; Q552-V556 HydrophobicContact CG-CG1 4.28Å; Q552-M561 VanDerWaalsContact CD-SD 3.57Å; Q552-M561 HydrophobicContact CG-CE 4.49Å; Q552-M561 HydrophobicContact CG-SD 3.74Å; Q552-M561 VanDerWaalsContact NE2-CG 3.28Å; Q552-M561 PolarHBondContact NE2-SD 2.97Å
553	H	84.1	Confident	88.9	Confident	161 Å²	161	69.6 Å²	69.6	75%	0.745	33%	0.331	S	S	*	.			trans	-87.2	-136.3	178.9	-60.2	-63.6	0	0	0	112.1	R502 R555	R502-H553 WeakPolarHBondContact CB-O 3.03Å; R502-H553 WeakPolarHBondContact CD-O 3.47Å; H553-R555 VanDerWaalsContact C-N 3.34Å; H553-R555 PolarHBondContact O-N 3.24Å
554	R	81.6	Confident	89	Confident	230 Å²	230	65 Å²	65	87%	0.868	31%	0.308	S	S	*	.	S	Bend	trans	-65.6	-34.5	-177.4	-68.9	-176.1	174.8	-172.5	-1	113.3	R502	R502-R554 PolarHBondContact N-O 2.99Å; R502-R554 VanDerWaalsContact N-O 3.09Å
555	R	82.3	Confident	89	Confident	173 Å²	173	66.2 Å²	66.2	65%	0.653	32%	0.315	S	S	*	.	B	Isolated β-bridge	trans	-119	133.1	176.3	-69.7	177.3	175.8	154	0.9	108.1	S499 L500 H553 N557	S499-R555 WeakPolarHBondContact OG-CD 3.45Å; S499-R555 PolarHBondContact OG-NE 3.08Å; L500-R555 WeakPolarHBondContact O-CA 3.29Å; H553-R555 VanDerWaalsContact C-N 3.34Å; H553-R555 PolarHBondContact O-N 3.24Å; R555-N557 PolarHBondContact O-N 3.38Å
556	V	83.8	Confident	89	Confident	13 Å²	13	66.6 Å²	66.6	8%	0.079	32%	0.317	C	S	.	.			trans	-75.8	116.3	175	177.7	0	0	0	0	107.7	L500 R502 Y504 W549 Q552 M558 M561	L500-V556 HydrophobicContact CB-CB 4.1Å; L500-V556 PolarHBondContact O-N 3.29Å; R502-V556 HydrophobicContact CB-CG2 4.17Å; Y504-V556 HydrophobicContact CE1-CG2 4.13Å; W549-V556 HydrophobicContact CZ3-CG1 4.15Å; Q552-V556 HydrophobicContact CB-CG2 4.4Å; Q552-V556 HydrophobicContact CG-CG1 4.28Å; V556-M558 HydrophobicContact CG1-CE 4.22Å; V556-M561 HydrophobicContact CG1-CE 3.25Å; V556-M561 HydrophobicContact CG1-SD 4.34Å
557	N	83.5	Confident	89.1	Confident	59 Å²	59	66.2 Å²	66.2	32%	0.316	31%	0.314	S	S	.	.			trans	-101.6	99.6	176.8	-174.4	2.4	0	0	0	109.8	R555 N559 H560	R555-N557 PolarHBondContact O-N 3.38Å; N557-N559 PolarHBondContact O-N 3.35Å; N557-N559 WeakPolarHBondContact OD1-CB 3.48Å; N557-N559 PolarHBondContact OD1-N 3.1Å; N557-N559 VanDerWaalsContact OD1-N 3.1Å; N557-H560 PolarHBondContact ND2-CE1 3.12Å; N557-H560 VanDerWaalsContact ND2-CE1 3.3Å; N557-H560 PolarHBondContact ND2-ND1 3.46Å; N557-H560 PolarHBondContact ND2-NE2 3.34Å; N557-H560 PolarHBondContact O-N 3.36Å
558	M	83.6	Confident	89.1	Confident	69 Å²	69	62.4 Å²	62.4	34%	0.34	29%	0.294	S	S	.	.	G	3₁₀ helix	trans	-60.6	-28.9	178.9	-69	-72.2	-178.9	0	0	113	L500 W549 V556 H560 M561	L500-M558 HydrophobicContact CD1-CE 3.8Å; W549-M558 HydrophobicContact CH2-CE 3.69Å; W549-M558 HydrophobicContact CZ2-CE 4.25Å; V556-M558 HydrophobicContact CG1-CE 4.22Å; M558-H560 PolarHBondContact O-N 2.92Å; M558-M561 HydrophobicContact CB-CE 4.47Å; M558-M561 HydrophobicContact CE-CE 4.09Å; M558-M561 HydrophobicContact CG-CE 4.1Å; M558-M561 PolarHBondContact O-N 2.65Å; M558-M561 VanDerWaalsContact O-N 3.1Å; M558-M561 HydrophobicContact SD-CE 3.3Å; M558-M561 WeakPolarHBondContact SD-CE 3.39Å
559	N	85	Confident	89.1	Confident	132 Å²	132	64.1 Å²	64.1	71%	0.706	31%	0.307	S	S	*	.	G	3₁₀ helix	trans	-66.2	-23.4	-177.8	-62.2	-7	0	0	0	112.9	N557	N557-N559 PolarHBondContact O-N 3.35Å; N557-N559 WeakPolarHBondContact OD1-CB 3.48Å; N557-N559 PolarHBondContact OD1-N 3.1Å; N557-N559 VanDerWaalsContact OD1-N 3.1Å
560	H	85.2	Confident	89.1	Confident	125 Å²	125	64.1 Å²	64.1	58%	0.579	31%	0.31	S	S	*	.	G	3₁₀ helix	trans	-91.8	-14.5	177.4	-64.2	174.3	0	0	0	112.8	N557 M558 R562	N557-H560 PolarHBondContact ND2-CE1 3.12Å; N557-H560 VanDerWaalsContact ND2-CE1 3.3Å; N557-H560 PolarHBondContact ND2-ND1 3.46Å; N557-H560 PolarHBondContact ND2-NE2 3.34Å; N557-H560 PolarHBondContact O-N 3.36Å; M558-H560 PolarHBondContact O-N 2.92Å; H560-R562 PolarHBondContact O-N 2.93Å
561	M	91.8	Very high	89.1	Confident	0 Å²	0	62.5 Å²	62.5	0%	0	30%	0.304	C	S	.	.			trans	-91.6	73.5	-179.1	-63.3	-170.9	-71.2	0	0	110.1	E548 W549 Q552 V556 M558 S565	E548-M561 HydrophobicContact CB-CG 4.25Å; E548-M561 WeakPolarHBondContact OE2-CA 3.37Å; W549-M561 HydrophobicContact CD2-SD 4.08Å; W549-M561 HydrophobicContact CE3-SD 4.39Å; W549-M561 HydrophobicContact CG-SD 4.4Å; W549-M561 HydrophobicContact CH2-CE 4.35Å; W549-M561 HydrophobicContact CZ2-CE 4.36Å; Q552-M561 VanDerWaalsContact CD-SD 3.57Å; Q552-M561 HydrophobicContact CG-CE 4.49Å; Q552-M561 HydrophobicContact CG-SD 3.74Å; Q552-M561 VanDerWaalsContact NE2-CG 3.28Å; Q552-M561 PolarHBondContact NE2-SD 2.97Å; V556-M561 HydrophobicContact CG1-CE 3.25Å; V556-M561 HydrophobicContact CG1-SD 4.34Å; M558-M561 HydrophobicContact CB-CE 4.47Å; M558-M561 HydrophobicContact CE-CE 4.09Å; M558-M561 HydrophobicContact CG-CE 4.1Å; M558-M561 PolarHBondContact O-N 2.65Å; M558-M561 VanDerWaalsContact O-N 3.1Å; M558-M561 HydrophobicContact SD-CE 3.3Å; M558-M561 WeakPolarHBondContact SD-CE 3.39Å; M561-S565 WeakPolarHBondContact O-CB 3.45Å; M561-S565 PolarHBondContact O-N 2.71Å; M561-S565 PolarHBondContact O-OG 2.67Å
562	R	93.9	Very high	89.2	Confident	28 Å²	28	60.1 Å²	60.1	11%	0.106	29%	0.286	C	S	.	.	H	α-helix	trans	-74.5	-40.2	-172	-63.8	-172.1	-174.9	91.9	-11.8	111.7	E548 H560 S565 L566 D717 S720 A724	E548-R562 PolarHBondContact OE1-N 3.07Å; E548-R562 VanDerWaalsContact OE1-N 3.09Å; H560-R562 PolarHBondContact O-N 2.93Å; R562-S565 PolarHBondContact O-N 2.91Å; R562-L566 WeakPolarHBondContact O-CB 3.3Å; R562-L566 VanDerWaalsContact O-CG 3.29Å; R562-L566 WeakPolarHBondContact O-CG 3.15Å; R562-L566 PolarHBondContact O-N 3.14Å; R562-D717 IonicContact CZ-OD1 3.79Å; R562-D717 IonicContact NH2-OD1 2.89Å; R562-D717 PolarHBondContact NH2-OD1 3.48Å; R562-S720 VanDerWaalsContact NH1-CB 3.32Å; R562-S720 PolarHBondContact NH1-OG 3.01Å; R562-A724 HydrophobicContact CB-CB 3.56Å; R562-A724 HydrophobicContact CG-CB 4.41Å
563	L	94.2	Very high	89.3	Confident	12 Å²	12	61 Å²	61	6%	0.063	29%	0.291	C	S	.	.	H	α-helix	trans	-65.8	-42.4	177	-61.7	174.3	0	0	0	110.8	L541 A544 V545 E548 S565 L566 S567 A724 F728	L541-L563 HydrophobicContact CD1-CB 4.46Å; L541-L563 HydrophobicContact CD1-CD1 4.46Å; L541-L563 HydrophobicContact CD1-CD2 4.23Å; A544-L563 HydrophobicContact CB-CD1 3.63Å; V545-L563 HydrophobicContact CG2-CB 3.9Å; E548-L563 WeakPolarHBondContact OE1-CB 3.46Å; E548-L563 WeakPolarHBondContact OE1-CG 3.43Å; E548-L563 PolarHBondContact OE1-N 3.39Å; E548-L563 PolarHBondContact OE2-N 3.36Å; L563-S565 VanDerWaalsContact C-N 3.31Å; L563-S565 PolarHBondContact O-N 3.33Å; L563-L566 PolarHBondContact O-N 2.78Å; L563-S567 WeakPolarHBondContact O-CB 3.46Å; L563-S567 PolarHBondContact O-N 3.24Å; L563-S567 PolarHBondContact O-OG 3.47Å; L563-S567 VanDerWaalsContact O-OG 3.12Å; L563-A724 HydrophobicContact CD2-CB 4.31Å; L563-A724 WeakPolarHBondContact CD2-O 3.44Å; L563-F728 HydrophobicContact CD2-CB 4.17Å
564	T	93.5	Very high	89.3	Confident	0 Å²	0	58 Å²	58	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-57.4	-46.1	173.2	-56.5	0	0	0	0	111.3	L534 E548 W549 S567 I568	L534-T564 HydrophobicContact CD2-CG2 4.33Å; E548-T564 WeakPolarHBondContact OE2-CB 3.28Å; E548-T564 PolarHBondContact OE2-N 3.48Å; E548-T564 PolarHBondContact OE2-OG1 2.81Å; W549-T564 HydrophobicContact CZ2-CG2 3.87Å; W549-T564 VanDerWaalsContact NE1-CG2 3.34Å; W549-T564 PolarHBondContact NE1-OG1 2.85Å; W549-T564 VanDerWaalsContact NE1-OG1 3.16Å; T564-S567 PolarHBondContact O-N 3.04Å; T564-I568 HydrophobicContact CG2-CD1 3.95Å; T564-I568 VanDerWaalsContact O-CG1 3.26Å; T564-I568 WeakPolarHBondContact O-CG1 3Å; T564-I568 PolarHBondContact O-N 3.5Å
565	S	93	Very high	89.4	Confident	49 Å²	49	51.8 Å²	51.8	34%	0.343	27%	0.273	S	S	.	.	H	α-helix	trans	-65	-39	179.5	-60.4	0	0	0	0	112.3	M561 R562 L563 T569	M561-S565 WeakPolarHBondContact O-CB 3.45Å; M561-S565 PolarHBondContact O-N 2.71Å; M561-S565 PolarHBondContact O-OG 2.67Å; R562-S565 PolarHBondContact O-N 2.91Å; L563-S565 VanDerWaalsContact C-N 3.31Å; L563-S565 PolarHBondContact O-N 3.33Å; S565-T569 WeakPolarHBondContact O-CB 3.26Å; S565-T569 PolarHBondContact O-N 3.46Å; S565-T569 PolarHBondContact O-OG1 3.38Å
566	L	94.4	Very high	89.7	Confident	8 Å²	8	50.1 Å²	50.1	4%	0.042	28%	0.277	C	S	.	.	H	α-helix	trans	-66.8	-45.1	175.2	-73	169.7	0	0	0	111.8	R562 L563 I568 T569 A570 V661 Y665 A724 F728	R562-L566 WeakPolarHBondContact O-CB 3.3Å; R562-L566 VanDerWaalsContact O-CG 3.29Å; R562-L566 WeakPolarHBondContact O-CG 3.15Å; R562-L566 PolarHBondContact O-N 3.14Å; L563-L566 PolarHBondContact O-N 2.78Å; L566-I568 VanDerWaalsContact C-N 3.34Å; L566-I568 PolarHBondContact O-N 3.46Å; L566-T569 PolarHBondContact O-N 2.84Å; L566-A570 WeakPolarHBondContact O-CB 3.4Å; L566-A570 PolarHBondContact O-N 3.37Å; L566-V661 HydrophobicContact CD2-CG1 4.39Å; L566-Y665 HydrophobicContact CD1-CD1 4.08Å; L566-Y665 HydrophobicContact CD1-CE1 4.48Å; L566-Y665 HydrophobicContact CD2-CD1 4.08Å; L566-Y665 HydrophobicContact CD2-CD2 4.16Å; L566-Y665 HydrophobicContact CD2-CG 3.73Å; L566-A724 HydrophobicContact CD1-CB 4.47Å; L566-F728 HydrophobicContact CB-CD1 4.13Å; L566-F728 HydrophobicContact CB-CD2 3.91Å; L566-F728 HydrophobicContact CB-CE1 4.19Å; L566-F728 HydrophobicContact CB-CE2 4.01Å; L566-F728 HydrophobicContact CB-CG 3.98Å; L566-F728 HydrophobicContact CB-CZ 4.15Å; L566-F728 HydrophobicContact CD1-CB 3.86Å; L566-F728 HydrophobicContact CD1-CD1 4.48Å; L566-F728 HydrophobicContact CD1-CG 4.08Å
567	S	93.5	Very high	89.8	Confident	4 Å²	4	52.4 Å²	52.4	3%	0.028	29%	0.287	C	S	.	.	H	α-helix	trans	-58.8	-44.8	174.7	-65	0	0	0	0	111.8	L563 T564 T569 A570 I571 F728	L563-S567 WeakPolarHBondContact O-CB 3.46Å; L563-S567 PolarHBondContact O-N 3.24Å; L563-S567 PolarHBondContact O-OG 3.47Å; L563-S567 VanDerWaalsContact O-OG 3.12Å; T564-S567 PolarHBondContact O-N 3.04Å; S567-T569 VanDerWaalsContact C-N 3.35Å; S567-T569 PolarHBondContact O-N 3.07Å; S567-A570 PolarHBondContact O-N 2.99Å; S567-I571 WeakPolarHBondContact O-CD1 3.26Å; S567-I571 VanDerWaalsContact O-CG1 3.27Å; S567-I571 WeakPolarHBondContact O-CG1 3.27Å; S567-I571 PolarHBondContact O-N 3.46Å; S567-I571 VanDerWaalsContact O-N 3.09Å; S567-F728 WeakPolarHBondContact OG-CE2 3.31Å
568	I	93.7	Very high	90.2	Very high	34 Å²	34	53.6 Å²	53.6	17%	0.174	30%	0.297	C	S	.	.	H	α-helix	trans	-61.3	-45.3	175.5	-70.4	167.4	0	0	0	110.5	T528 P529 L534 T564 L566 A570 I571 D572	T528-I568 HydrophobicContact CG2-CG1 4.28Å; T528-I568 HydrophobicContact CG2-CG2 4.49Å; P529-I568 VanDerWaalsContact CD-CG2 3.47Å; P529-I568 HydrophobicContact CG-CG2 4.2Å; L534-I568 HydrophobicContact CD1-CG1 3.9Å; T564-I568 HydrophobicContact CG2-CD1 3.95Å; T564-I568 VanDerWaalsContact O-CG1 3.26Å; T564-I568 WeakPolarHBondContact O-CG1 3Å; T564-I568 PolarHBondContact O-N 3.5Å; L566-I568 VanDerWaalsContact C-N 3.34Å; L566-I568 PolarHBondContact O-N 3.46Å; I568-A570 VanDerWaalsContact C-N 3.34Å; I568-A570 PolarHBondContact O-N 2.91Å; I568-I571 PolarHBondContact O-N 2.97Å; I568-D572 WeakPolarHBondContact O-CB 3.45Å; I568-D572 PolarHBondContact O-N 3.38Å
569	T	92.7	Very high	90.4	Very high	65 Å²	65	54.4 Å²	54.4	40%	0.399	30%	0.3	S	S	.	.	H	α-helix	trans	-64.8	-38.7	-179	-57.3	0	0	0	0	111.9	S565 L566 S567 N573 V661	S565-T569 WeakPolarHBondContact O-CB 3.26Å; S565-T569 PolarHBondContact O-N 3.46Å; S565-T569 PolarHBondContact O-OG1 3.38Å; L566-T569 PolarHBondContact O-N 2.84Å; S567-T569 VanDerWaalsContact C-N 3.35Å; S567-T569 PolarHBondContact O-N 3.07Å; T569-N573 WeakPolarHBondContact O-CA 3.32Å; T569-N573 PolarHBondContact O-N 2.99Å; T569-V661 HydrophobicContact CG2-CG1 4.19Å
570	A	91.6	Very high	90.7	Very high	16 Å²	16	51 Å²	51	13%	0.132	28%	0.28	C	S	.	.	H	α-helix	trans	-67.3	-36.1	177.5	0	0	0	0	0	112.7	L566 S567 I568 A658 F728	L566-A570 WeakPolarHBondContact O-CB 3.4Å; L566-A570 PolarHBondContact O-N 3.37Å; S567-A570 PolarHBondContact O-N 2.99Å; I568-A570 VanDerWaalsContact C-N 3.34Å; I568-A570 PolarHBondContact O-N 2.91Å; A570-A658 HydrophobicContact CB-CB 4.26Å; A570-F728 HydrophobicContact CB-CE1 4.24Å; A570-F728 HydrophobicContact CB-CZ 3.9Å
571	I	92.2	Very high	91	Very high	53 Å²	53	45.6 Å²	45.6	27%	0.272	26%	0.258	S	S	.	.	H	α-helix	trans	-78	-51.1	178.6	-64.9	166.1	0	0	0	111.3	T528 N532 L534 E535 S567 I568	T528-I571 HydrophobicContact CG2-CB 4.29Å; T528-I571 HydrophobicContact CG2-CD1 4.26Å; T528-I571 HydrophobicContact CG2-CG2 4.05Å; N532-I571 HydrophobicContact CB-CG2 3.73Å; L534-I571 HydrophobicContact CD1-CD1 3.92Å; E535-I571 WeakPolarHBondContact O-CD1 3.4Å; S567-I571 WeakPolarHBondContact O-CD1 3.26Å; S567-I571 VanDerWaalsContact O-CG1 3.27Å; S567-I571 WeakPolarHBondContact O-CG1 3.27Å; S567-I571 PolarHBondContact O-N 3.46Å; S567-I571 VanDerWaalsContact O-N 3.09Å; I568-I571 PolarHBondContact O-N 2.97Å
572	D	90.8	Very high	91	Very high	18 Å²	18	45.7 Å²	45.7	10%	0.096	26%	0.259	C	S	.	.	H	α-helix	trans	-78	-25.4	-172.5	-80.1	-0.5	0	0	0	112.8	T528 P529 L530 N532 I568	T528-D572 VanDerWaalsContact CB-CG 3.49Å; T528-D572 WeakPolarHBondContact CB-OD1 3.14Å; T528-D572 WeakPolarHBondContact CB-OD2 3.28Å; T528-D572 VanDerWaalsContact OG1-CG 3.24Å; T528-D572 PolarHBondContact OG1-OD1 2.93Å; T528-D572 PolarHBondContact OG1-OD2 3.31Å; P529-D572 WeakPolarHBondContact CD-OD2 3.2Å; L530-D572 HydrophobicContact CD1-CB 3.64Å; L530-D572 HydrophobicContact CG-CB 4.03Å; L530-D572 WeakPolarHBondContact CG-OD2 3.18Å; L530-D572 PolarHBondContact N-OD2 3.16Å; L530-D572 VanDerWaalsContact N-OD2 3.16Å; N532-D572 PolarHBondContact ND2-OD1 2.98Å; I568-D572 WeakPolarHBondContact O-CB 3.45Å; I568-D572 PolarHBondContact O-N 3.38Å
573	N	90.3	Very high	91	Very high	33 Å²	33	44.3 Å²	44.3	18%	0.176	25%	0.254	C	S	.	.			trans	35.2	60.8	-178.7	-171.9	14.3	0	0	0	113.1	T569 T575 N576 Q577 F657	T569-N573 WeakPolarHBondContact O-CA 3.32Å; T569-N573 PolarHBondContact O-N 2.99Å; N573-T575 PolarHBondContact O-N 3.45Å; N573-N576 PolarHBondContact O-N 2.97Å; N573-N576 PolarHBondContact OD1-N 3.32Å; N573-Q577 PolarHBondContact ND2-N 3.03Å; N573-Q577 PolarHBondContact ND2-O 3.28Å; N573-Q577 PolarHBondContact OD1-N 3.06Å; N573-F657 HydrophobicContact CB-CE1 4.38Å; N573-F657 HydrophobicContact CB-CZ 4.28Å; N573-F657 WeakPolarHBondContact ND2-CZ 3.35Å
574	P	84	Confident	90.9	Very high	98 Å²	98	51.2 Å²	51.2	64%	0.636	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.6	-21.7	-165.8	25	-35.7	0	0	0	114.2
575	T	84.9	Confident	90.8	Very high	98 Å²	98	53.2 Å²	53.2	60%	0.601	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98	8.5	177.9	53.7	0	0	0	0	113.1	N573 Q577	N573-T575 PolarHBondContact O-N 3.45Å; T575-Q577 PolarHBondContact O-N 2.92Å; T575-Q577 VanDerWaalsContact OG1-CG 3.25Å; T575-Q577 WeakPolarHBondContact OG1-CG 3.37Å; T575-Q577 PolarHBondContact OG1-NE2 3.11Å; T575-Q577 VanDerWaalsContact OG1-NE2 3.12Å
576	N	87.1	Confident	90.8	Very high	138 Å²	138	51 Å²	51	74%	0.738	28%	0.277	S	S	*	.			trans	47.2	45.3	-177	-75	-29	0	0	0	112.2	N573 T578	N573-N576 PolarHBondContact O-N 2.97Å; N573-N576 PolarHBondContact OD1-N 3.32Å; N576-T578 PolarHBondContact O-N 3.42Å
577	Q	87.5	Confident	90.7	Very high	62 Å²	62	51.6 Å²	51.6	29%	0.29	28%	0.281	S	S	.	.			trans	-64.2	139.5	177.7	-64.7	-63.7	-23.8	0	0	109.7	N573 T575 L582 F657	N573-Q577 PolarHBondContact ND2-N 3.03Å; N573-Q577 PolarHBondContact ND2-O 3.28Å; N573-Q577 PolarHBondContact OD1-N 3.06Å; T575-Q577 PolarHBondContact O-N 2.92Å; T575-Q577 VanDerWaalsContact OG1-CG 3.25Å; T575-Q577 WeakPolarHBondContact OG1-CG 3.37Å; T575-Q577 PolarHBondContact OG1-NE2 3.11Å; T575-Q577 VanDerWaalsContact OG1-NE2 3.12Å; Q577-L582 HydrophobicContact CB-CD2 3.76Å; Q577-L582 HydrophobicContact CB-CG 4.07Å; Q577-L582 HydrophobicContact CG-CD2 3.96Å; Q577-F657 HydrophobicContact CB-CE2 4.47Å; Q577-F657 WeakPolarHBondContact O-CE2 3.44Å
578	T	91.3	Very high	90.5	Very high	83 Å²	83	58.7 Å²	58.7	51%	0.509	31%	0.311	S	S	.	.			trans	-91.4	156.1	168.1	59.6	0	0	0	0	109.1	N576 M580 G581 L582	N576-T578 PolarHBondContact O-N 3.42Å; T578-M580 PolarHBondContact O-N 2.97Å; T578-G581 WeakPolarHBondContact O-CA 3.32Å; T578-G581 PolarHBondContact O-N 2.83Å; T578-G581 PolarHBondContact OG1-N 2.64Å; T578-G581 VanDerWaalsContact OG1-N 3.1Å; T578-L582 PolarHBondContact O-N 3.03Å
579	Q	88.6	Confident	90.4	Very high	86 Å²	86	59.8 Å²	59.8	40%	0.402	31%	0.313	S	S	.	.	H	α-helix	trans	-51.6	-46	174.2	-72.2	-179.6	-54.2	0	0	111.2	G581 L582 V583 F657 L660	Q579-G581 VanDerWaalsContact C-N 3.31Å; Q579-G581 PolarHBondContact O-N 2.56Å; Q579-L582 WeakPolarHBondContact O-CB 3.35Å; Q579-L582 PolarHBondContact O-N 2.86Å; Q579-V583 WeakPolarHBondContact O-CG2 3.15Å; Q579-V583 PolarHBondContact O-N 2.72Å; Q579-F657 HydrophobicContact CG-CB 4.11Å; Q579-F657 HydrophobicContact CG-CD2 3.81Å; Q579-F657 HydrophobicContact CG-CG 4.47Å; Q579-L660 HydrophobicContact CB-CD1 4.14Å; Q579-L660 HydrophobicContact CG-CD1 4.28Å
580	M	90.6	Very high	90.1	Very high	60 Å²	60	56.8 Å²	56.8	30%	0.296	30%	0.295	S	S	.	.	H	α-helix	trans	-64.3	-33.3	177.5	-166.1	64.8	-171.9	0	0	113.1	T578 R584 V649 L653	T578-M580 PolarHBondContact O-N 2.97Å; M580-R584 HydrophobicContact CE-CG 4.39Å; M580-R584 VanDerWaalsContact O-CG 3.31Å; M580-R584 WeakPolarHBondContact O-CG 3.28Å; M580-R584 PolarHBondContact O-N 3.23Å; M580-V649 HydrophobicContact CE-CG1 3.87Å; M580-V649 HydrophobicContact CE-CG2 4.47Å; M580-V649 HydrophobicContact SD-CG1 4.2Å; M580-L653 HydrophobicContact SD-CD1 4.31Å; M580-L653 HydrophobicContact SD-CD2 4.34Å
581	G	91.2	Very high	89.7	Confident	12 Å²	12	61 Å²	61	12%	0.124	31%	0.312	C	S	.	.	H	α-helix	trans	-64.5	-41.1	174.3	0	0	0	0	0	112.8	T578 Q579 S585	T578-G581 WeakPolarHBondContact O-CA 3.32Å; T578-G581 PolarHBondContact O-N 2.83Å; T578-G581 PolarHBondContact OG1-N 2.64Å; T578-G581 VanDerWaalsContact OG1-N 3.1Å; Q579-G581 VanDerWaalsContact C-N 3.31Å; Q579-G581 PolarHBondContact O-N 2.56Å; G581-S585 PolarHBondContact O-N 3.49Å; G581-S585 VanDerWaalsContact O-N 3.08Å; G581-S585 PolarHBondContact O-OG 3.4Å
582	L	92.4	Very high	89.3	Confident	2 Å²	2	61.8 Å²	61.8	1%	0.01	32%	0.322	C	S	.	.	H	α-helix	trans	-63.2	-49	174.4	-61.4	176.2	0	0	0	110.9	Q577 T578 Q579 R584 S585 I586 F657 L660 V661	Q577-L582 HydrophobicContact CB-CD2 3.76Å; Q577-L582 HydrophobicContact CB-CG 4.07Å; Q577-L582 HydrophobicContact CG-CD2 3.96Å; T578-L582 PolarHBondContact O-N 3.03Å; Q579-L582 WeakPolarHBondContact O-CB 3.35Å; Q579-L582 PolarHBondContact O-N 2.86Å; L582-R584 VanDerWaalsContact C-N 3.35Å; L582-R584 PolarHBondContact O-N 2.94Å; L582-S585 WeakPolarHBondContact O-CB 3.35Å; L582-S585 PolarHBondContact O-N 3.2Å; L582-I586 WeakPolarHBondContact O-CG1 3.28Å; L582-I586 PolarHBondContact O-N 3.22Å; L582-F657 HydrophobicContact CD1-CD2 3.73Å; L582-F657 HydrophobicContact CD1-CE2 3.47Å; L582-F657 VanDerWaalsContact CD1-CE2 3.47Å; L582-F657 HydrophobicContact CD1-CZ 4.15Å; L582-F657 HydrophobicContact CG-CE2 4.35Å; L582-L660 HydrophobicContact CB-CB 4.25Å; L582-L660 HydrophobicContact CD1-CB 3.71Å; L582-V661 HydrophobicContact CD1-CG2 3.96Å
583	V	93.5	Very high	89.2	Confident	0 Å²	0	60.9 Å²	60.9	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-58.6	-45.1	179	175.7	0	0	0	0	111.5	Q579 S585 I586 L587 V649 F652 L653 L660	Q579-V583 WeakPolarHBondContact O-CG2 3.15Å; Q579-V583 PolarHBondContact O-N 2.72Å; V583-S585 VanDerWaalsContact C-N 3.29Å; V583-S585 PolarHBondContact O-N 3.29Å; V583-I586 PolarHBondContact O-N 2.97Å; V583-L587 HydrophobicContact CG1-CD1 3.84Å; V583-L587 HydrophobicContact CG1-CG 4.34Å; V583-L587 WeakPolarHBondContact O-CG 3.23Å; V583-L587 PolarHBondContact O-N 2.89Å; V583-V649 HydrophobicContact CG1-CB 4.41Å; V583-V649 HydrophobicContact CG1-CG1 4.42Å; V583-V649 HydrophobicContact CG1-CG2 4.18Å; V583-F652 HydrophobicContact CB-CB 4.44Å; V583-F652 HydrophobicContact CG1-CB 3.98Å; V583-F652 HydrophobicContact CG2-CB 3.71Å; V583-L653 HydrophobicContact CG2-CD2 4.19Å; V583-L653 HydrophobicContact CG2-CG 4.49Å; V583-L660 HydrophobicContact CG2-CD1 4.06Å; V583-L660 HydrophobicContact CG2-CD2 4.05Å
584	R	92.2	Very high	89	Confident	156 Å²	156	61.8 Å²	61.8	59%	0.589	32%	0.324	S	S	*	.	H	α-helix	trans	-61.7	-37.7	175.8	-72.9	178.5	-166.7	134.3	-0.2	112.6	M580 L582 L587 K588	M580-R584 HydrophobicContact CE-CG 4.39Å; M580-R584 VanDerWaalsContact O-CG 3.31Å; M580-R584 WeakPolarHBondContact O-CG 3.28Å; M580-R584 PolarHBondContact O-N 3.23Å; L582-R584 VanDerWaalsContact C-N 3.35Å; L582-R584 PolarHBondContact O-N 2.94Å; R584-L587 PolarHBondContact O-N 3.46Å; R584-K588 PolarHBondContact O-N 3.35Å
585	S	91.5	Very high	89.2	Confident	43 Å²	43	57.1 Å²	57.1	30%	0.301	29%	0.294	S	S	.	.	H	α-helix	trans	-68.2	-39	179.3	-57.5	0	0	0	0	111.6	G581 L582 V583 K588 Y589	G581-S585 PolarHBondContact O-N 3.49Å; G581-S585 VanDerWaalsContact O-N 3.08Å; G581-S585 PolarHBondContact O-OG 3.4Å; L582-S585 WeakPolarHBondContact O-CB 3.35Å; L582-S585 PolarHBondContact O-N 3.2Å; V583-S585 VanDerWaalsContact C-N 3.29Å; V583-S585 PolarHBondContact O-N 3.29Å; S585-K588 WeakPolarHBondContact O-CB 3.24Å; S585-Y589 WeakPolarHBondContact O-CD2 3.31Å
586	I	93.6	Very high	89.2	Confident	1 Å²	1	52.5 Å²	52.5	1%	0.005	27%	0.265	C	S	.	.	H	α-helix	trans	-64.1	-49.6	173.4	-68.3	164.4	0	0	0	110.5	L582 V583 K588 Y589 F652 L660 C663 Q664 V667 L676	L582-I586 WeakPolarHBondContact O-CG1 3.28Å; L582-I586 PolarHBondContact O-N 3.22Å; V583-I586 PolarHBondContact O-N 2.97Å; I586-K588 PolarHBondContact O-N 2.94Å; I586-Y589 PolarHBondContact O-N 3.13Å; I586-F652 HydrophobicContact CG2-CE1 4.29Å; I586-F652 HydrophobicContact CG2-CE2 3.89Å; I586-F652 HydrophobicContact CG2-CZ 3.76Å; I586-L660 HydrophobicContact CD1-CD2 4.38Å; I586-C663 HydrophobicContact CD1-CB 3.84Å; I586-Q664 HydrophobicContact CD1-CB 4.42Å; I586-Q664 HydrophobicContact CG1-CB 4.24Å; I586-V667 HydrophobicContact CG2-CG2 4.18Å; I586-L676 HydrophobicContact CG2-CD2 4.4Å
587	L	91.2	Very high	89.1	Confident	22 Å²	22	48.6 Å²	48.6	12%	0.115	24%	0.241	C	C	.	.	H	α-helix	trans	-69.4	-19.5	-176.9	-67.7	176.3	0	0	0	113.9	V583 R584 Y589 L590 L648 V649 F652	V583-L587 HydrophobicContact CG1-CD1 3.84Å; V583-L587 HydrophobicContact CG1-CG 4.34Å; V583-L587 WeakPolarHBondContact O-CG 3.23Å; V583-L587 PolarHBondContact O-N 2.89Å; R584-L587 PolarHBondContact O-N 3.46Å; L587-Y589 PolarHBondContact O-N 3.14Å; L587-L590 WeakPolarHBondContact O-CB 3.41Å; L587-L590 PolarHBondContact O-N 3.33Å; L587-L648 HydrophobicContact CD2-CB 3.73Å; L587-L648 HydrophobicContact CD2-CD1 4.16Å; L587-V649 HydrophobicContact CD1-CB 4.35Å; L587-V649 HydrophobicContact CD1-CG2 3.31Å; L587-F652 HydrophobicContact CD2-CD2 4.23Å; L587-F652 HydrophobicContact CD2-CE2 4.05Å
588	K	90.3	Very high	89	Confident	153 Å²	153	46.4 Å²	46.4	67%	0.665	23%	0.232	S	C	*	.	H	α-helix	trans	-57.9	-33	172.5	-173	179.2	177	-176.4	0	112	R584 S585 I586 L590 E591	R584-K588 PolarHBondContact O-N 3.35Å; S585-K588 WeakPolarHBondContact O-CB 3.24Å; I586-K588 PolarHBondContact O-N 2.94Å; K588-L590 PolarHBondContact O-N 3.24Å; K588-E591 PolarHBondContact O-N 3.38Å
589	Y	90.2	Very high	88.5	Confident	56 Å²	56	45.3 Å²	45.3	22%	0.22	22%	0.223	C	C	.	.	G	3₁₀ helix	trans	-71.1	-18	178.2	-71.6	-79	0	0	0	113.6	S585 I586 L587 E591 S592 D593 V667 E668 K671	S585-Y589 WeakPolarHBondContact O-CD2 3.31Å; I586-Y589 PolarHBondContact O-N 3.13Å; L587-Y589 PolarHBondContact O-N 3.14Å; Y589-E591 VanDerWaalsContact C-N 3.26Å; Y589-E591 PolarHBondContact O-N 3.29Å; Y589-S592 CarbonylContact O-C 3.48Å; Y589-S592 PolarHBondContact O-N 3.14Å; Y589-D593 WeakPolarHBondContact O-CA 3.28Å; Y589-D593 PolarHBondContact O-N 3.44Å; Y589-V667 HydrophobicContact CD2-CG1 3.26Å; Y589-V667 HydrophobicContact CE2-CG1 3.87Å; Y589-V667 HydrophobicContact CG-CG1 3.63Å; Y589-E668 HydrophobicContact CE2-CG 4.29Å; Y589-K671 HydrophobicContact CD1-CD 4.5Å; Y589-K671 HydrophobicContact CE1-CD 3.83Å
590	L	87.1	Confident	88	Confident	2 Å²	2	46.1 Å²	46.1	1%	0.01	23%	0.226	C	C	.	.	G	3₁₀ helix	trans	-66.7	-29.8	178.6	-167	67.3	0	0	0	112.1	L587 K588 S592 F596 M628 L640 L648 A673 L674	L587-L590 WeakPolarHBondContact O-CB 3.41Å; L587-L590 PolarHBondContact O-N 3.33Å; K588-L590 PolarHBondContact O-N 3.24Å; L590-S592 VanDerWaalsContact C-N 3.31Å; L590-F596 HydrophobicContact CD1-CE2 4.04Å; L590-F596 HydrophobicContact CD1-CZ 4.37Å; L590-F596 HydrophobicContact CG-CE2 4.39Å; L590-F596 WeakPolarHBondContact O-CE2 3.48Å; L590-M628 HydrophobicContact CD1-CE 3.88Å; L590-M628 HydrophobicContact CD2-CE 3.98Å; L590-M628 HydrophobicContact CG-CE 4.3Å; L590-L640 HydrophobicContact CB-CD1 4.4Å; L590-L640 HydrophobicContact CD2-CD1 3.63Å; L590-L640 HydrophobicContact CG-CD1 3.65Å; L590-L648 HydrophobicContact CD2-CD1 3.53Å; L590-A673 HydrophobicContact CB-CB 4.39Å; L590-A673 HydrophobicContact CD1-CB 4.27Å; L590-L674 HydrophobicContact CD1-CD2 3.86Å; L590-L674 HydrophobicContact CD1-CG 3.97Å
591	E	82.9	Confident	87.4	Confident	106 Å²	106	48.4 Å²	48.4	50%	0.495	24%	0.24	S	C	.	.	G	3₁₀ helix	trans	-73.6	-24.9	178.3	-61.8	-178	168.3	0	0	112.4	K588 Y589 K645	K588-E591 PolarHBondContact O-N 3.38Å; Y589-E591 VanDerWaalsContact C-N 3.26Å; Y589-E591 PolarHBondContact O-N 3.29Å; E591-K645 IonicContact OE1-NZ 3.51Å; E591-K645 PolarHBondContact OE1-NZ 2.9Å
592	S	84.6	Confident	86.9	Confident	68 Å²	68	49.6 Å²	49.6	48%	0.476	25%	0.245	S	C	.	.	G	3₁₀ helix	trans	-117.4	22.2	-179	67.8	0	0	0	0	112.6	Y589 L590 T594	Y589-S592 CarbonylContact O-C 3.48Å; Y589-S592 PolarHBondContact O-N 3.14Å; L590-S592 VanDerWaalsContact C-N 3.31Å; S592-T594 PolarHBondContact O-N 3.12Å
593	D	88.3	Confident	86.6	Confident	0 Å²	0	56.4 Å²	56.4	0%	0	28%	0.275	C	S	.	.			trans	-69.8	129.1	-174.4	-157.6	-44.8	0	0	0	109.9	Y589 L595 F596 F597 S672 A673 L674	Y589-D593 WeakPolarHBondContact O-CA 3.28Å; Y589-D593 PolarHBondContact O-N 3.44Å; D593-L595 PolarHBondContact O-N 3.13Å; D593-L595 PolarHBondContact OD1-N 3.19Å; D593-F596 HydrophobicContact CB-CD2 3.7Å; D593-F596 HydrophobicContact CB-CE2 3.93Å; D593-F596 PolarHBondContact O-N 3.45Å; D593-F596 VanDerWaalsContact O-N 3.12Å; D593-F597 WeakPolarHBondContact O-CD2 3.3Å; D593-S672 WeakPolarHBondContact OD1-CB 3.38Å; D593-S672 PolarHBondContact OD1-OG 3.1Å; D593-S672 WeakPolarHBondContact OD2-CA 3.16Å; D593-S672 PolarHBondContact OD2-OG 3.43Å; D593-A673 PolarHBondContact OD2-N 2.91Å; D593-L674 PolarHBondContact OD2-N 3.39Å; D593-L674 VanDerWaalsContact OD2-N 3.1Å
594	T	86.4	Confident	86.2	Confident	52 Å²	52	62 Å²	62	32%	0.319	30%	0.301	S	S	.	.	G	3₁₀ helix	trans	-61.3	-29.7	-175.2	55.5	0	0	0	0	112.3	S592 F596 F597 W613	S592-T594 PolarHBondContact O-N 3.12Å; T594-F596 PolarHBondContact O-N 2.91Å; T594-F597 PolarHBondContact O-N 2.85Å; T594-F597 VanDerWaalsContact O-N 3.1Å; T594-W613 WeakPolarHBondContact O-CZ3 3.35Å
595	L	87.7	Confident	86.1	Confident	0 Å²	0	54.5 Å²	54.5	0%	0	27%	0.273	C	S	.	.	G	3₁₀ helix	trans	-60.5	-26.2	179	-65.4	172.3	0	0	0	113	D593 W613 I616 I617 L674 L675	D593-L595 PolarHBondContact O-N 3.13Å; D593-L595 PolarHBondContact OD1-N 3.19Å; L595-W613 HydrophobicContact CD2-CB 3.59Å; L595-W613 HydrophobicContact CD2-CD2 3.68Å; L595-W613 HydrophobicContact CD2-CG 3.21Å; L595-I616 HydrophobicContact CD1-CG2 4.21Å; L595-I617 HydrophobicContact CB-CD1 4.47Å; L595-I617 WeakPolarHBondContact O-CD1 3.31Å; L595-L674 HydrophobicContact CB-CD1 4.31Å; L595-L674 HydrophobicContact CD1-CB 3.58Å; L595-L674 HydrophobicContact CD1-CD1 3.94Å; L595-L674 HydrophobicContact CD1-CG 4.38Å; L595-L675 HydrophobicContact CD1-CD2 3.98Å; L595-L675 HydrophobicContact CD1-CG 3.8Å; L595-L675 HydrophobicContact CD2-CD2 4.47Å
596	F	85.4	Confident	86	Confident	0 Å²	0	53.8 Å²	53.8	0%	0	26%	0.264	C	S	.	.	G	3₁₀ helix	trans	-80.3	-18.9	179	-67.7	-54.9	0	0	0	113.9	L590 D593 T594 M628 S631 P638 L640 L674	L590-F596 HydrophobicContact CD1-CE2 4.04Å; L590-F596 HydrophobicContact CD1-CZ 4.37Å; L590-F596 HydrophobicContact CG-CE2 4.39Å; L590-F596 WeakPolarHBondContact O-CE2 3.48Å; D593-F596 HydrophobicContact CB-CD2 3.7Å; D593-F596 HydrophobicContact CB-CE2 3.93Å; D593-F596 PolarHBondContact O-N 3.45Å; D593-F596 VanDerWaalsContact O-N 3.12Å; T594-F596 PolarHBondContact O-N 2.91Å; F596-M628 HydrophobicContact CE1-CB 3.93Å; F596-M628 HydrophobicContact CE1-CG 4.4Å; F596-M628 HydrophobicContact CE1-SD 4.12Å; F596-M628 HydrophobicContact CZ-CB 4.34Å; F596-M628 HydrophobicContact CZ-CE 4.04Å; F596-M628 HydrophobicContact CZ-CG 4.32Å; F596-M628 HydrophobicContact CZ-SD 3.73Å; F596-S631 PolarHBondContact O-N 2.97Å; F596-P638 HydrophobicContact CB-CG 4.02Å; F596-P638 HydrophobicContact CD1-CG 4.5Å; F596-P638 HydrophobicContact CD2-CB 4.5Å; F596-P638 HydrophobicContact CD2-CG 3.7Å; F596-P638 HydrophobicContact CE2-CG 4.28Å; F596-P638 HydrophobicContact CG-CB 4.28Å; F596-P638 HydrophobicContact CG-CG 3.83Å; F596-L640 HydrophobicContact CZ-CD2 4.46Å; F596-L674 HydrophobicContact CE1-CD1 4.05Å; F596-L674 HydrophobicContact CE2-CD1 4.08Å; F596-L674 HydrophobicContact CZ-CD1 3.64Å; F596-L674 HydrophobicContact CZ-CG 4.41Å
597	F	85.2	Confident	85.9	Confident	56 Å²	56	58.8 Å²	58.8	25%	0.246	29%	0.288	C	S	.	.	B	Isolated β-bridge	trans	-102.8	85.4	-175.9	-61.7	-80.2	0	0	0	110.2	D593 T594 S633	D593-F597 WeakPolarHBondContact O-CD2 3.3Å; T594-F597 PolarHBondContact O-N 2.85Å; T594-F597 VanDerWaalsContact O-N 3.1Å; F597-S633 WeakPolarHBondContact CE1-O 3.48Å
598	M	84.8	Confident	85.9	Confident	17 Å²	17	60.3 Å²	60.3	8%	0.084	30%	0.296	C	S	.	.			trans	-85.2	128	176.6	-63.7	179.9	-175.7	0	0	109.9	Q609 R610 W613 I617 P630 S631	M598-Q609 HydrophobicContact CG-CB 4.46Å; M598-R610 HydrophobicContact SD-CG 3.82Å; M598-W613 HydrophobicContact CE-CB 4.22Å; M598-W613 HydrophobicContact CG-CE3 4.2Å; M598-I617 HydrophobicContact CE-CD1 3.71Å; M598-P630 HydrophobicContact CE-CB 4.23Å; M598-P630 HydrophobicContact SD-CB 4.34Å; M598-S631 PolarHBondContact N-O 3.23Å
599	N	81.2	Confident	86	Confident	60 Å²	60	53 Å²	53	32%	0.321	26%	0.264	S	S	.	.			trans	-80.3	129.8	-179.2	-166.8	-11.3	0	0	0	109.7	N601 L605 H606	N599-N601 PolarHBondContact ND2-O 3.1Å; N599-N601 PolarHBondContact OD1-N 3.17Å; N599-N601 PolarHBondContact OD1-O 2.7Å; N599-L605 HydrophobicContact CB-CD2 4.42Å; N599-H606 WeakPolarHBondContact O-CB 3.26Å; N599-H606 PolarHBondContact O-ND1 3.34Å
600	E	78.5	Confident	86	Confident	102 Å²	102	56.1 Å²	56.1	48%	0.477	28%	0.275	S	S	.	.			trans	-75.4	-24.2	-179.9	-66.9	-176.8	178.6	0	0	112.8	T632	E600-T632 HydrophobicContact CG-CG2 4.02Å; E600-T632 VanDerWaalsContact OE1-CB 3.23Å; E600-T632 WeakPolarHBondContact OE1-CB 3.18Å; E600-T632 PolarHBondContact OE1-OG1 3.44Å; E600-T632 VanDerWaalsContact OE1-OG1 3.07Å
601	N	77.3	Confident	86.2	Confident	109 Å²	109	61.4 Å²	61.4	58%	0.583	30%	0.3	S	S	*	.	S	Bend	trans	-138.4	132.9	-178	-67.1	-62.2	0	0	0	111.6	N599	N599-N601 PolarHBondContact ND2-O 3.1Å; N599-N601 PolarHBondContact OD1-N 3.17Å; N599-N601 PolarHBondContact OD1-O 2.7Å
602	P	81	Confident	86.6	Confident	36 Å²	36	60 Å²	60	23%	0.234	29%	0.292	C	S	.	.	S	Bend	cis	-75.6	151.8	4.1	31.2	-35.1	0	0	0	113.2	E604 L605 H606 Y699	P602-E604 WeakPolarHBondContact CB-OE2 3.42Å; P602-E604 PolarHBondContact O-N 3.38Å; P602-L605 HydrophobicContact CG-CB 3.9Å; P602-L605 PolarHBondContact O-N 2.93Å; P602-L605 VanDerWaalsContact O-N 3.12Å; P602-H606 PolarHBondContact O-N 3.25Å; P602-H606 VanDerWaalsContact O-N 3.09Å; P602-Y699 HydrophobicContact CG-CE1 3.81Å; P602-Y699 WeakPolarHBondContact CG-OH 3.11Å
603	K	86.1	Confident	87.1	Confident	146 Å²	146	57 Å²	57	64%	0.635	27%	0.27	S	S	*	.	H	α-helix	trans	-59.3	-34.9	-174.8	-71.3	-175.6	179.3	-179.2	0	112.7	H606 E607	K603-H606 WeakPolarHBondContact O-CB 3.49Å; K603-H606 PolarHBondContact O-N 3.08Å; K603-E607 WeakPolarHBondContact O-CB 3.23Å; K603-E607 WeakPolarHBondContact O-CG 3.15Å; K603-E607 PolarHBondContact O-N 3.41Å
604	E	85.9	Confident	87.1	Confident	116 Å²	116	57.6 Å²	57.6	54%	0.542	28%	0.277	S	S	.	.	H	α-helix	trans	-64.2	-40.6	179.2	-57.6	85.5	168.9	0	0	111.5	P602 L608 Y699	P602-E604 WeakPolarHBondContact CB-OE2 3.42Å; P602-E604 PolarHBondContact O-N 3.38Å; E604-L608 WeakPolarHBondContact O-CB 3.39Å; E604-L608 PolarHBondContact O-N 2.77Å; E604-L608 VanDerWaalsContact O-N 3.1Å; E604-Y699 HydrophobicContact CB-CE2 4.39Å
605	L	88.7	Confident	87.3	Confident	0 Å²	0	61.4 Å²	61.4	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-67.9	-42.8	174	174.5	61.7	0	0	0	110.7	N599 P602 E607 L608 Q609 E696 Y699	N599-L605 HydrophobicContact CB-CD2 4.42Å; P602-L605 HydrophobicContact CG-CB 3.9Å; P602-L605 PolarHBondContact O-N 2.93Å; P602-L605 VanDerWaalsContact O-N 3.12Å; L605-E607 VanDerWaalsContact C-N 3.31Å; L605-E607 PolarHBondContact O-N 3.4Å; L605-L608 PolarHBondContact O-N 3.02Å; L605-Q609 HydrophobicContact CD1-CG 4.04Å; L605-Q609 HydrophobicContact CG-CG 4.32Å; L605-Q609 WeakPolarHBondContact O-CB 3.37Å; L605-Q609 WeakPolarHBondContact O-CG 3.4Å; L605-Q609 PolarHBondContact O-N 3.37Å; L605-E696 HydrophobicContact CD2-CG 4.06Å; L605-Y699 HydrophobicContact CB-CD1 4.09Å; L605-Y699 HydrophobicContact CB-CD2 4.3Å; L605-Y699 HydrophobicContact CB-CE1 3.89Å; L605-Y699 HydrophobicContact CB-CE2 4.09Å; L605-Y699 HydrophobicContact CB-CG 4.3Å; L605-Y699 HydrophobicContact CD1-CD1 3.98Å; L605-Y699 HydrophobicContact CD1-CD2 4.15Å; L605-Y699 HydrophobicContact CD1-CG 3.72Å; L605-Y699 HydrophobicContact CD2-CD1 4.14Å; L605-Y699 HydrophobicContact CD2-CE1 4.42Å; L605-Y699 HydrophobicContact CG-CD1 4.29Å; L605-Y699 HydrophobicContact CG-CG 4.45Å
606	H	90.1	Very high	87.5	Confident	27 Å²	27	61.8 Å²	61.8	13%	0.125	29%	0.293	C	S	.	.	H	α-helix	trans	-61	-41.1	178.5	-169.9	47.4	0	0	0	112.1	N599 P602 K603 Q609 R610	N599-H606 WeakPolarHBondContact O-CB 3.26Å; N599-H606 PolarHBondContact O-ND1 3.34Å; P602-H606 PolarHBondContact O-N 3.25Å; P602-H606 VanDerWaalsContact O-N 3.09Å; K603-H606 WeakPolarHBondContact O-CB 3.49Å; K603-H606 PolarHBondContact O-N 3.08Å; H606-Q609 PolarHBondContact O-N 2.93Å; H606-R610 PolarHBondContact CD2-NH1 3.03Å; H606-R610 PolarHBondContact NE2-NH1 2.79Å; H606-R610 WeakPolarHBondContact O-CB 3.36Å; H606-R610 VanDerWaalsContact O-CG 3.31Å; H606-R610 WeakPolarHBondContact O-CG 3.48Å; H606-R610 PolarHBondContact O-N 2.98Å
607	E	90.9	Very high	87.7	Confident	107 Å²	107	62 Å²	62	50%	0.5	29%	0.294	S	S	.	.	H	α-helix	trans	-61.7	-46.5	173.7	-77.3	170.1	-168.5	0	0	111.8	K603 L605 R610 E611	K603-E607 WeakPolarHBondContact O-CB 3.23Å; K603-E607 WeakPolarHBondContact O-CG 3.15Å; K603-E607 PolarHBondContact O-N 3.41Å; L605-E607 VanDerWaalsContact C-N 3.31Å; L605-E607 PolarHBondContact O-N 3.4Å; E607-R610 PolarHBondContact O-N 3.24Å; E607-E611 WeakPolarHBondContact O-CB 3.5Å; E607-E611 PolarHBondContact O-N 2.79Å
608	L	91.1	Very high	88	Confident	54 Å²	54	63.2 Å²	63.2	28%	0.283	30%	0.303	S	S	.	.	H	α-helix	trans	-63.6	-41.6	177.7	-173.3	65	0	0	0	112.5	E604 L605 E611 K612 L695 Y699	E604-L608 WeakPolarHBondContact O-CB 3.39Å; E604-L608 PolarHBondContact O-N 2.77Å; E604-L608 VanDerWaalsContact O-N 3.1Å; L605-L608 PolarHBondContact O-N 3.02Å; L608-E611 PolarHBondContact O-N 2.81Å; L608-K612 HydrophobicContact CD1-CG 4.07Å; L608-K612 WeakPolarHBondContact O-CB 3.44Å; L608-K612 WeakPolarHBondContact O-CG 3.42Å; L608-K612 PolarHBondContact O-N 2.95Å; L608-L695 HydrophobicContact CD2-CD1 3.85Å; L608-L695 HydrophobicContact CD2-CG 4.36Å; L608-L695 HydrophobicContact CG-CD1 4.14Å; L608-L695 HydrophobicContact CG-CD2 4.35Å; L608-Y699 HydrophobicContact CD2-CD2 4.42Å
609	Q	92.7	Very high	88.3	Confident	0 Å²	0	63.3 Å²	63.3	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-63.6	-46.3	174.6	-75.3	176.3	-21.6	0	0	111	M598 L605 H606 E611 W613 G614 L695	M598-Q609 HydrophobicContact CG-CB 4.46Å; L605-Q609 HydrophobicContact CD1-CG 4.04Å; L605-Q609 HydrophobicContact CG-CG 4.32Å; L605-Q609 WeakPolarHBondContact O-CB 3.37Å; L605-Q609 WeakPolarHBondContact O-CG 3.4Å; L605-Q609 PolarHBondContact O-N 3.37Å; H606-Q609 PolarHBondContact O-N 2.93Å; Q609-E611 VanDerWaalsContact C-N 3.32Å; Q609-E611 PolarHBondContact O-N 3.36Å; Q609-W613 HydrophobicContact CB-CD2 4.18Å; Q609-W613 HydrophobicContact CB-CE3 3.81Å; Q609-W613 HydrophobicContact CB-CZ3 4.21Å; Q609-W613 VanDerWaalsContact CD-CZ3 3.49Å; Q609-W613 HydrophobicContact CG-CD2 4.09Å; Q609-W613 HydrophobicContact CG-CE3 3.74Å; Q609-W613 HydrophobicContact CG-CH2 4.01Å; Q609-W613 HydrophobicContact CG-CZ2 4.34Å; Q609-W613 HydrophobicContact CG-CZ3 3.69Å; Q609-W613 VanDerWaalsContact NE2-CH2 3.29Å; Q609-W613 VanDerWaalsContact NE2-CZ3 3.34Å; Q609-W613 WeakPolarHBondContact O-CA 3.41Å; Q609-W613 WeakPolarHBondContact O-CB 3.5Å; Q609-W613 PolarHBondContact O-N 3.27Å; Q609-G614 PolarHBondContact O-N 3.43Å; Q609-L695 HydrophobicContact CG-CD2 4.14Å
610	R	90	Very high	88.7	Confident	120 Å²	120	60.5 Å²	60.5	45%	0.453	29%	0.287	S	S	.	.	H	α-helix	trans	-62.2	-39	177.1	-76.1	-174	-55.2	-141.6	2.8	112.6	M598 H606 E607 G614	M598-R610 HydrophobicContact SD-CG 3.82Å; H606-R610 PolarHBondContact CD2-NH1 3.03Å; H606-R610 PolarHBondContact NE2-NH1 2.79Å; H606-R610 WeakPolarHBondContact O-CB 3.36Å; H606-R610 VanDerWaalsContact O-CG 3.31Å; H606-R610 WeakPolarHBondContact O-CG 3.48Å; H606-R610 PolarHBondContact O-N 2.98Å; E607-R610 PolarHBondContact O-N 3.24Å; R610-G614 WeakPolarHBondContact O-CA 3.37Å; R610-G614 PolarHBondContact O-N 3.14Å
611	E	91.5	Very high	89.2	Confident	114 Å²	114	58.5 Å²	58.5	53%	0.533	28%	0.277	S	S	.	.	H	α-helix	trans	-65.5	-57.6	176.4	-171.6	-165.2	139.2	0	0	110.8	E607 L608 Q609 E615	E607-E611 WeakPolarHBondContact O-CB 3.5Å; E607-E611 PolarHBondContact O-N 2.79Å; L608-E611 PolarHBondContact O-N 2.81Å; Q609-E611 VanDerWaalsContact C-N 3.32Å; Q609-E611 PolarHBondContact O-N 3.36Å; E611-E615 PolarHBondContact O-N 3.24Å
612	K	92.4	Very high	89.9	Confident	76 Å²	76	61.8 Å²	61.8	33%	0.33	28%	0.281	S	S	.	.	H	α-helix	trans	-79.2	-46.7	-170.7	-61.9	-57	-174.9	-148.5	0	113.6	L608 L692 L695	L608-K612 HydrophobicContact CD1-CG 4.07Å; L608-K612 WeakPolarHBondContact O-CB 3.44Å; L608-K612 WeakPolarHBondContact O-CG 3.42Å; L608-K612 PolarHBondContact O-N 2.95Å; K612-L692 HydrophobicContact CB-CD2 3.66Å; K612-L692 HydrophobicContact CG-CD2 4.46Å; K612-L695 HydrophobicContact CB-CD2 4.16Å
613	W	93.1	Very high	90.2	Very high	4 Å²	4	64.1 Å²	64.1	2%	0.015	29%	0.289	C	S	.	.	H	α-helix	trans	-78.7	-32.9	179.5	-60.3	-16	0	0	0	111.8	T594 L595 M598 Q609 E615 I616 I617 L692 L695	T594-W613 WeakPolarHBondContact O-CZ3 3.35Å; L595-W613 HydrophobicContact CD2-CB 3.59Å; L595-W613 HydrophobicContact CD2-CD2 3.68Å; L595-W613 HydrophobicContact CD2-CG 3.21Å; M598-W613 HydrophobicContact CE-CB 4.22Å; M598-W613 HydrophobicContact CG-CE3 4.2Å; Q609-W613 HydrophobicContact CB-CD2 4.18Å; Q609-W613 HydrophobicContact CB-CE3 3.81Å; Q609-W613 HydrophobicContact CB-CZ3 4.21Å; Q609-W613 VanDerWaalsContact CD-CZ3 3.49Å; Q609-W613 HydrophobicContact CG-CD2 4.09Å; Q609-W613 HydrophobicContact CG-CE3 3.74Å; Q609-W613 HydrophobicContact CG-CH2 4.01Å; Q609-W613 HydrophobicContact CG-CZ2 4.34Å; Q609-W613 HydrophobicContact CG-CZ3 3.69Å; Q609-W613 VanDerWaalsContact NE2-CH2 3.29Å; Q609-W613 VanDerWaalsContact NE2-CZ3 3.34Å; Q609-W613 WeakPolarHBondContact O-CA 3.41Å; Q609-W613 WeakPolarHBondContact O-CB 3.5Å; Q609-W613 PolarHBondContact O-N 3.27Å; W613-E615 VanDerWaalsContact C-N 3.31Å; W613-E615 PolarHBondContact O-N 2.89Å; W613-I616 PolarHBondContact O-N 3.47Å; W613-I617 VanDerWaalsContact O-CG1 3.32Å; W613-I617 WeakPolarHBondContact O-CG1 3.38Å; W613-I617 PolarHBondContact O-N 3.37Å; W613-L692 PolarHBondContact NE1-O 3.49Å; W613-L695 HydrophobicContact CD2-CD2 4.35Å; W613-L695 HydrophobicContact CG-CD2 4.45Å; W613-L695 HydrophobicContact CZ2-CB 4.05Å; W613-L695 HydrophobicContact CZ2-CD2 4.25Å
614	G	89.4	Confident	90.2	Very high	13 Å²	13	58.1 Å²	58.1	13%	0.134	26%	0.263	C	S	.	.	H	α-helix	trans	-59.1	-41.1	175.1	0	0	0	0	0	112.4	Q609 R610 I616 I617 D618	Q609-G614 PolarHBondContact O-N 3.43Å; R610-G614 WeakPolarHBondContact O-CA 3.37Å; R610-G614 PolarHBondContact O-N 3.14Å; G614-I616 VanDerWaalsContact C-N 3.33Å; G614-I616 PolarHBondContact O-N 3.25Å; G614-I617 PolarHBondContact O-N 3.28Å; G614-D618 VanDerWaalsContact O-CB 3.31Å; G614-D618 WeakPolarHBondContact O-CB 3.29Å; G614-D618 PolarHBondContact O-N 3.26Å
615	E	91	Very high	90.2	Very high	132 Å²	132	60.2 Å²	60.2	62%	0.617	27%	0.273	S	S	*	.	H	α-helix	trans	-56	-45.2	175.6	-174.6	176.1	-178.3	0	0	112.4	E611 W613 W619	E611-E615 PolarHBondContact O-N 3.24Å; W613-E615 VanDerWaalsContact C-N 3.31Å; W613-E615 PolarHBondContact O-N 2.89Å; E615-W619 VanDerWaalsContact O-CB 3.26Å; E615-W619 WeakPolarHBondContact O-CB 3.42Å; E615-W619 PolarHBondContact O-N 2.83Å
616	I	91.8	Very high	89.9	Confident	9 Å²	9	60.6 Å²	60.6	5%	0.046	28%	0.275	C	S	.	.	H	α-helix	trans	-70.2	-41.8	179	-58.1	-58.1	0	0	0	111.7	L595 W613 G614 W619 T620 L675 A678 I684 L692	L595-I616 HydrophobicContact CD1-CG2 4.21Å; W613-I616 PolarHBondContact O-N 3.47Å; G614-I616 VanDerWaalsContact C-N 3.33Å; G614-I616 PolarHBondContact O-N 3.25Å; I616-W619 PolarHBondContact O-N 2.85Å; I616-T620 WeakPolarHBondContact O-CB 3.44Å; I616-T620 PolarHBondContact O-N 2.91Å; I616-T620 PolarHBondContact O-OG1 2.79Å; I616-L675 HydrophobicContact CG2-CD2 4.42Å; I616-A678 HydrophobicContact CG2-CB 4.33Å; I616-I684 HydrophobicContact CD1-CG2 3.63Å; I616-L692 HydrophobicContact CD1-CD1 4.28Å; I616-L692 HydrophobicContact CG1-CD1 4.03Å
617	I	89.9	Confident	89.2	Confident	4 Å²	4	66.7 Å²	66.7	2%	0.021	30%	0.304	C	S	.	.	H	α-helix	trans	-63.6	-46.7	178	-68.9	166.5	0	0	0	110.1	L595 M598 W613 G614 T620 K621 L674	L595-I617 HydrophobicContact CB-CD1 4.47Å; L595-I617 WeakPolarHBondContact O-CD1 3.31Å; M598-I617 HydrophobicContact CE-CD1 3.71Å; W613-I617 VanDerWaalsContact O-CG1 3.32Å; W613-I617 WeakPolarHBondContact O-CG1 3.38Å; W613-I617 PolarHBondContact O-N 3.37Å; G614-I617 PolarHBondContact O-N 3.28Å; I617-T620 PolarHBondContact O-N 3.26Å; I617-K621 HydrophobicContact CG2-CD 4.2Å; I617-K621 VanDerWaalsContact O-CG 3.29Å; I617-K621 WeakPolarHBondContact O-CG 3.13Å; I617-K621 PolarHBondContact O-N 3.05Å; I617-L674 HydrophobicContact CG1-CD1 4.41Å
618	D	90.2	Very high	88.4	Confident	82 Å²	82	62.1 Å²	62.1	44%	0.439	28%	0.282	S	S	.	.	H	α-helix	trans	-70.2	-33.1	-179.4	-72.3	-16.2	0	0	0	112.3	G614 K621 R622	G614-D618 VanDerWaalsContact O-CB 3.31Å; G614-D618 WeakPolarHBondContact O-CB 3.29Å; G614-D618 PolarHBondContact O-N 3.26Å; D618-K621 IonicContact OD1-NZ 2.74Å; D618-R622 WeakPolarHBondContact O-CG 3.43Å; D618-R622 PolarHBondContact O-N 2.87Å; D618-R622 PolarHBondContact O-NE 3.34Å; D618-R622 VanDerWaalsContact O-NE 3.12Å
619	W	91.9	Very high	87.4	Confident	19 Å²	19	62.6 Å²	62.6	7%	0.072	29%	0.294	C	S	.	.	H	α-helix	trans	-62.3	-49.5	167.8	172.6	85.2	0	0	0	111.6	E615 I616 K621 R622 H623 F624 A678 E681 Q683	E615-W619 VanDerWaalsContact O-CB 3.26Å; E615-W619 WeakPolarHBondContact O-CB 3.42Å; E615-W619 PolarHBondContact O-N 2.83Å; I616-W619 PolarHBondContact O-N 2.85Å; W619-K621 VanDerWaalsContact C-N 3.33Å; W619-K621 PolarHBondContact O-N 3.29Å; W619-R622 PolarHBondContact O-N 3.44Å; W619-R622 VanDerWaalsContact O-N 3.14Å; W619-H623 HydrophobicContact CD2-CB 4.41Å; W619-H623 HydrophobicContact CZ2-CB 3.92Å; W619-H623 AromaticContact CZ2-CD2 3.96Å; W619-H623 AromaticContact CZ2-CG 3.69Å; W619-H623 WeakPolarHBondContact O-CB 3.44Å; W619-H623 PolarHBondContact O-N 2.82Å; W619-F624 HydrophobicContact CH2-CE2 4.15Å; W619-F624 HydrophobicContact CZ3-CE2 4.35Å; W619-A678 HydrophobicContact CE3-CB 4.26Å; W619-A678 HydrophobicContact CZ3-CB 3.86Å; W619-E681 HydrophobicContact CH2-CB 3.76Å; W619-E681 HydrophobicContact CH2-CG 4.06Å; W619-E681 HydrophobicContact CZ2-CB 3.75Å; W619-E681 HydrophobicContact CZ2-CG 4.25Å; W619-Q683 HydrophobicContact CD2-CG 3.86Å; W619-Q683 HydrophobicContact CE3-CG 4.42Å; W619-Q683 HydrophobicContact CG-CG 4.39Å; W619-Q683 HydrophobicContact CH2-CG 3.95Å; W619-Q683 HydrophobicContact CZ2-CG 3.3Å; W619-Q683 HydrophobicContact CZ3-CG 4.46Å
620	T	89.9	Confident	86.5	Confident	0 Å²	0	65.5 Å²	65.5	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-61.3	-43.5	-177.5	-52.3	0	0	0	0	110.9	I616 I617 R622 H623 F624 I626 L674	I616-T620 WeakPolarHBondContact O-CB 3.44Å; I616-T620 PolarHBondContact O-N 2.91Å; I616-T620 PolarHBondContact O-OG1 2.79Å; I617-T620 PolarHBondContact O-N 3.26Å; T620-R622 VanDerWaalsContact C-N 3.33Å; T620-R622 PolarHBondContact O-N 3.14Å; T620-H623 PolarHBondContact O-N 3.5Å; T620-F624 HydrophobicContact CG2-CD2 3.71Å; T620-F624 HydrophobicContact CG2-CE2 4.23Å; T620-F624 PolarHBondContact O-N 3.48Å; T620-I626 HydrophobicContact CG2-CD1 3.85Å; T620-L674 HydrophobicContact CG2-CD2 3.67Å
621	K	89.3	Confident	85.7	Confident	61 Å²	61	60.7 Å²	60.7	27%	0.265	30%	0.298	S	S	.	.	H	α-helix	trans	-56.2	-45.5	175.1	-74.6	170.3	179.3	169.6	0	112.2	I617 D618 W619 E625 I626 M628	I617-K621 HydrophobicContact CG2-CD 4.2Å; I617-K621 VanDerWaalsContact O-CG 3.29Å; I617-K621 WeakPolarHBondContact O-CG 3.13Å; I617-K621 PolarHBondContact O-N 3.05Å; D618-K621 IonicContact OD1-NZ 2.74Å; W619-K621 VanDerWaalsContact C-N 3.33Å; W619-K621 PolarHBondContact O-N 3.29Å; K621-E625 VanDerWaalsContact O-CA 3.23Å; K621-E625 WeakPolarHBondContact O-CA 3.41Å; K621-E625 PolarHBondContact O-N 2.84Å; K621-E625 VanDerWaalsContact O-N 3.08Å; K621-I626 WeakPolarHBondContact CA-O 3.49Å; K621-I626 WeakPolarHBondContact CG-O 3.29Å; K621-I626 PolarHBondContact O-N 3.5Å; K621-M628 WeakPolarHBondContact CE-O 3.35Å; K621-M628 PolarHBondContact NZ-O 2.94Å
622	R	90	Very high	84.5	Confident	177 Å²	177	59.3 Å²	59.3	67%	0.668	30%	0.297	S	S	*	.	H	α-helix	trans	-71.5	-41.6	-179.4	-73.7	-179.3	-65.9	117.7	-6.6	112.5	D618 W619 T620	D618-R622 WeakPolarHBondContact O-CG 3.43Å; D618-R622 PolarHBondContact O-N 2.87Å; D618-R622 PolarHBondContact O-NE 3.34Å; D618-R622 VanDerWaalsContact O-NE 3.12Å; W619-R622 PolarHBondContact O-N 3.44Å; W619-R622 VanDerWaalsContact O-N 3.14Å; T620-R622 VanDerWaalsContact C-N 3.33Å; T620-R622 PolarHBondContact O-N 3.14Å
623	H	88.5	Confident	83.2	Confident	85 Å²	85	57.7 Å²	57.7	39%	0.394	30%	0.295	S	S	.	.	H	α-helix	trans	-74.3	-41.2	-173.9	-171.4	81.7	0	0	0	112.5	W619 T620 E681	W619-H623 HydrophobicContact CD2-CB 4.41Å; W619-H623 HydrophobicContact CZ2-CB 3.92Å; W619-H623 AromaticContact CZ2-CD2 3.96Å; W619-H623 AromaticContact CZ2-CG 3.69Å; W619-H623 WeakPolarHBondContact O-CB 3.44Å; W619-H623 PolarHBondContact O-N 2.82Å; T620-H623 PolarHBondContact O-N 3.5Å; H623-E681 IonicContact CE1-OE2 3.51Å; H623-E681 IonicContact NE2-OE2 2.72Å
624	F	86.4	Confident	82.1	Confident	20 Å²	20	65 Å²	65	9%	0.088	33%	0.333	C	S	.	.	H	α-helix	trans	-97.5	-1.3	-179.5	-66.1	-76.1	0	0	0	113.9	W619 T620 I626 L648 F651 L677	W619-F624 HydrophobicContact CH2-CE2 4.15Å; W619-F624 HydrophobicContact CZ3-CE2 4.35Å; T620-F624 HydrophobicContact CG2-CD2 3.71Å; T620-F624 HydrophobicContact CG2-CE2 4.23Å; T620-F624 PolarHBondContact O-N 3.48Å; F624-I626 VanDerWaalsContact C-N 3.28Å; F624-I626 HydrophobicContact CB-CD1 3.94Å; F624-I626 HydrophobicContact CB-CG1 4.02Å; F624-I626 HydrophobicContact CB-CG2 3.99Å; F624-I626 WeakPolarHBondContact O-CG2 3.5Å; F624-I626 PolarHBondContact O-N 3.39Å; F624-L648 HydrophobicContact CD1-CD2 4.24Å; F624-L648 HydrophobicContact CE1-CD2 4.46Å; F624-L648 HydrophobicContact CG-CD2 4.26Å; F624-F651 HydrophobicContact CE1-CB 4.36Å; F624-F651 HydrophobicContact CE1-CD1 4.38Å; F624-F651 AromaticContact CE1-CD2 3.63Å; F624-F651 HydrophobicContact CE1-CD2 3.63Å; F624-F651 AromaticContact CE1-CE2 3.91Å; F624-F651 HydrophobicContact CE1-CE2 3.91Å; F624-F651 AromaticContact CE1-CG 3.87Å; F624-F651 HydrophobicContact CE1-CG 3.87Å; F624-F651 HydrophobicContact CE1-CZ 4.39Å; F624-F651 HydrophobicContact CZ-CD2 4.29Å; F624-F651 HydrophobicContact CZ-CE1 4.46Å; F624-F651 HydrophobicContact CZ-CE2 4.16Å; F624-F651 HydrophobicContact CZ-CG 4.46Å; F624-F651 HydrophobicContact CZ-CZ 4.24Å; F624-L677 HydrophobicContact CE2-CB 4.19Å; F624-L677 HydrophobicContact CE2-CD1 4.16Å; F624-L677 HydrophobicContact CE2-CD2 4.48Å; F624-L677 HydrophobicContact CZ-CB 4.42Å; F624-L677 HydrophobicContact CZ-CD1 4.47Å; F624-L677 HydrophobicContact CZ-CD2 4.05Å
625	E	85.1	Confident	81.2	Confident	160 Å²	160	71.9 Å²	71.9	75%	0.748	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.8	44.1	-174.8	-58.4	-177.6	171.7	0	0	112.8	K621	K621-E625 VanDerWaalsContact O-CA 3.23Å; K621-E625 WeakPolarHBondContact O-CA 3.41Å; K621-E625 PolarHBondContact O-N 2.84Å; K621-E625 VanDerWaalsContact O-N 3.08Å
626	I	82.6	Confident	79.9	Confident	9 Å²	9	69.8 Å²	69.8	5%	0.046	36%	0.361	C	S	.	.			trans	-112.5	147.6	-176.6	59.8	-177.9	0	0	0	111.9	T620 K621 F624 M628 T644 T647	T620-I626 HydrophobicContact CG2-CD1 3.85Å; K621-I626 WeakPolarHBondContact CA-O 3.49Å; K621-I626 WeakPolarHBondContact CG-O 3.29Å; K621-I626 PolarHBondContact O-N 3.5Å; F624-I626 VanDerWaalsContact C-N 3.28Å; F624-I626 HydrophobicContact CB-CD1 3.94Å; F624-I626 HydrophobicContact CB-CG1 4.02Å; F624-I626 HydrophobicContact CB-CG2 3.99Å; F624-I626 WeakPolarHBondContact O-CG2 3.5Å; F624-I626 PolarHBondContact O-N 3.39Å; I626-M628 HydrophobicContact CD1-CE 3.55Å; I626-M628 HydrophobicContact CD1-CG 4.31Å; I626-M628 HydrophobicContact CD1-SD 3.67Å; I626-M628 HydrophobicContact CG1-CG 4.38Å; I626-M628 HydrophobicContact CG1-SD 4.24Å; I626-T644 HydrophobicContact CB-CG2 3.78Å; I626-T644 HydrophobicContact CD1-CG2 3.88Å; I626-T644 HydrophobicContact CG1-CG2 4.33Å; I626-T644 HydrophobicContact CG2-CG2 3.87Å; I626-T647 HydrophobicContact CG2-CG2 4.4Å
627	E	76.6	Confident	78.7	Confident	155 Å²	155	71 Å²	71	72%	0.724	38%	0.375	S	S	*	.			trans	-95	127.1	172.1	-68.3	-178.6	-177.8	0	0	110.2
628	M	72.8	Confident	77.6	Confident	11 Å²	11	71.8 Å²	71.8	5%	0.054	38%	0.381	C	S	.	.			trans	-143.5	131.1	176.8	-65.3	177.3	149.7	0	0	109	L590 F596 K621 I626 L640 T644 L648 L674	L590-M628 HydrophobicContact CD1-CE 3.88Å; L590-M628 HydrophobicContact CD2-CE 3.98Å; L590-M628 HydrophobicContact CG-CE 4.3Å; F596-M628 HydrophobicContact CE1-CB 3.93Å; F596-M628 HydrophobicContact CE1-CG 4.4Å; F596-M628 HydrophobicContact CE1-SD 4.12Å; F596-M628 HydrophobicContact CZ-CB 4.34Å; F596-M628 HydrophobicContact CZ-CE 4.04Å; F596-M628 HydrophobicContact CZ-CG 4.32Å; F596-M628 HydrophobicContact CZ-SD 3.73Å; K621-M628 WeakPolarHBondContact CE-O 3.35Å; K621-M628 PolarHBondContact NZ-O 2.94Å; I626-M628 HydrophobicContact CD1-CE 3.55Å; I626-M628 HydrophobicContact CD1-CG 4.31Å; I626-M628 HydrophobicContact CD1-SD 3.67Å; I626-M628 HydrophobicContact CG1-CG 4.38Å; I626-M628 HydrophobicContact CG1-SD 4.24Å; M628-L640 HydrophobicContact CB-CD2 4.47Å; M628-L640 HydrophobicContact CE-CD2 3.8Å; M628-L640 HydrophobicContact CG-CD2 3.76Å; M628-L640 HydrophobicContact SD-CD2 4.5Å; M628-T644 HydrophobicContact CE-CG2 3.73Å; M628-T644 HydrophobicContact CG-CG2 4.44Å; M628-L648 HydrophobicContact CE-CD1 4.37Å; M628-L674 HydrophobicContact CE-CD2 4.11Å; M628-L674 HydrophobicContact SD-CD2 4.14Å
629	A	70.9	Confident	76.6	Confident	63 Å²	63	74 Å²	74	52%	0.521	40%	0.398	S	S	.	.			trans	-111.3	129.1	175.3	0	0	0	0	0	109.6
630	P	74.2	Confident	75.7	Confident	62 Å²	62	74 Å²	74	40%	0.403	40%	0.399	S	S	.	.			trans	-63.8	147.1	168.3	28.5	-32.5	0	0	0	109.7	M598	M598-P630 HydrophobicContact CE-CB 4.23Å; M598-P630 HydrophobicContact SD-CB 4.34Å
631	S	72.8	Confident	75.3	Confident	19 Å²	19	76.6 Å²	76.6	13%	0.133	42%	0.416	C	S	.	.	B	Isolated β-bridge	trans	-111.2	141.5	175	-176	0	0	0	0	109.7	F596 M598 S633 V636	F596-S631 PolarHBondContact O-N 2.97Å; M598-S631 PolarHBondContact N-O 3.23Å; S631-S633 PolarHBondContact OG-N 2.92Å; S631-S633 PolarHBondContact OG-O 3.32Å; S631-V636 WeakPolarHBondContact CB-O 3.46Å; S631-V636 PolarHBondContact OG-O 2.89Å
632	T	65.8	Low	74.8	Confident	85 Å²	85	79.6 Å²	79.6	52%	0.521	44%	0.435	S	S	.	.	S	Bend	trans	-95.4	-1.4	170.8	59.4	0	0	0	0	112.2	E600	E600-T632 HydrophobicContact CG-CG2 4.02Å; E600-T632 VanDerWaalsContact OE1-CB 3.23Å; E600-T632 WeakPolarHBondContact OE1-CB 3.18Å; E600-T632 PolarHBondContact OE1-OG1 3.44Å; E600-T632 VanDerWaalsContact OE1-OG1 3.07Å
633	S	65.8	Low	74.6	Confident	42 Å²	42	80 Å²	80	29%	0.294	44%	0.436	S	S	.	.			trans	-107.6	127.3	-177.6	-178.9	0	0	0	0	111.4	F597 S631 I635 V636	F597-S633 WeakPolarHBondContact CE1-O 3.48Å; S631-S633 PolarHBondContact OG-N 2.92Å; S631-S633 PolarHBondContact OG-O 3.32Å; S633-I635 PolarHBondContact O-N 3.03Å; S633-I635 PolarHBondContact OG-N 3.48Å; S633-V636 PolarHBondContact OG-N 3.22Å
634	I	69.5	Low	74.4	Confident	157 Å²	157	76.1 Å²	76.1	81%	0.805	42%	0.419	S	S	*	.	S	Bend	trans	-63	-29.5	172.3	-64.9	169.2	0	0	0	111.2
635	I	70.3	Confident	74.4	Confident	158 Å²	158	78.3 Å²	78.3	81%	0.81	43%	0.428	S	S	*	.	S	Bend	trans	-83	-37.7	-174.3	-57	173.3	0	0	0	111	S633	S633-I635 PolarHBondContact O-N 3.03Å; S633-I635 PolarHBondContact OG-N 3.48Å
636	V	64.9	Low	74.5	Confident	87 Å²	87	74.8 Å²	74.8	53%	0.527	41%	0.414	S	S	.	.	S	Bend	trans	-101.6	93.2	-177.8	-173.9	0	0	0	0	108.2	S631 S633	S631-V636 WeakPolarHBondContact CB-O 3.46Å; S631-V636 PolarHBondContact OG-O 2.89Å; S633-V636 PolarHBondContact OG-N 3.22Å
637	G	64.9	Low	74.8	Confident	34 Å²	34	76.3 Å²	76.3	35%	0.351	42%	0.424	S	S	.	.			trans	-62.2	162.7	171.1	0	0	0	0	0	112.4	T639	G637-T639 PolarHBondContact O-N 3.33Å
638	P	68.3	Low	75.4	Confident	21 Å²	21	69 Å²	69	14%	0.136	39%	0.39	C	S	.	.			trans	-63.2	127.7	180	27.1	-34.3	0	0	0	110.8	F596 L640	F596-P638 HydrophobicContact CB-CG 4.02Å; F596-P638 HydrophobicContact CD1-CG 4.5Å; F596-P638 HydrophobicContact CD2-CB 4.5Å; F596-P638 HydrophobicContact CD2-CG 3.7Å; F596-P638 HydrophobicContact CE2-CG 4.28Å; F596-P638 HydrophobicContact CG-CB 4.28Å; F596-P638 HydrophobicContact CG-CG 3.83Å; P638-L640 PolarHBondContact O-N 2.99Å; P638-L640 VanDerWaalsContact O-N 3.11Å
639	T	67.6	Low	76.3	Confident	129 Å²	129	69.6 Å²	69.6	79%	0.791	39%	0.394	S	S	*	.			trans	-76.1	99	169.8	53.4	0	0	0	0	108.6	G637	G637-T639 PolarHBondContact O-N 3.33Å
640	L	73.9	Confident	77.2	Confident	20 Å²	20	75 Å²	75	11%	0.105	40%	0.402	C	S	.	.			trans	-85	123.3	174.9	-66.2	166.6	0	0	0	109.6	L590 F596 M628 P638 T644	L590-L640 HydrophobicContact CB-CD1 4.4Å; L590-L640 HydrophobicContact CD2-CD1 3.63Å; L590-L640 HydrophobicContact CG-CD1 3.65Å; F596-L640 HydrophobicContact CZ-CD2 4.46Å; M628-L640 HydrophobicContact CB-CD2 4.47Å; M628-L640 HydrophobicContact CE-CD2 3.8Å; M628-L640 HydrophobicContact CG-CD2 3.76Å; M628-L640 HydrophobicContact SD-CD2 4.5Å; P638-L640 PolarHBondContact O-N 2.99Å; P638-L640 VanDerWaalsContact O-N 3.11Å; L640-T644 HydrophobicContact CD2-CG2 4.39Å
641	P	80.3	Confident	78	Confident	54 Å²	54	73.9 Å²	73.9	35%	0.351	39%	0.39	S	S	.	.			trans	-57.3	142.8	171.6	-23.2	33.2	0	0	0	111.2	R643 T644 K645	P641-R643 PolarHBondContact O-N 2.96Å; P641-R643 VanDerWaalsContact O-N 3.14Å; P641-T644 VanDerWaalsContact O-CB 3.28Å; P641-T644 WeakPolarHBondContact O-CB 3.32Å; P641-T644 PolarHBondContact O-N 3.5Å; P641-K645 PolarHBondContact O-N 3.23Å
642	D	80.5	Confident	78.9	Confident	124 Å²	124	73 Å²	73	66%	0.663	38%	0.384	S	S	*	.	H	α-helix	trans	-56.8	-33.1	178	-68	-37.9	0	0	0	112.1	T644 K645 D646	D642-T644 VanDerWaalsContact C-N 3.26Å; D642-T644 PolarHBondContact O-N 3.36Å; D642-K645 PolarHBondContact O-N 3.45Å; D642-K645 VanDerWaalsContact O-N 3.14Å; D642-D646 PolarHBondContact O-N 3.14Å
643	R	84.9	Confident	80	Confident	184 Å²	184	72.5 Å²	72.5	69%	0.694	38%	0.378	S	S	*	.	H	α-helix	trans	-55.5	-40.1	173.3	-176.3	179.4	175.5	-173	-3.8	112.6	P641 D646 T647	P641-R643 PolarHBondContact O-N 2.96Å; P641-R643 VanDerWaalsContact O-N 3.14Å; R643-D646 PolarHBondContact O-N 3.1Å; R643-T647 PolarHBondContact O-N 3.18Å; R643-T647 PolarHBondContact O-OG1 3.49Å; R643-T647 VanDerWaalsContact O-OG1 3.13Å
644	T	84.8	Confident	81.1	Confident	5 Å²	5	74.8 Å²	74.8	3%	0.031	40%	0.399	C	S	.	.	H	α-helix	trans	-65.9	-43.8	179	-62.5	0	0	0	0	110.6	I626 M628 L640 P641 D642 D646 T647 L648	I626-T644 HydrophobicContact CB-CG2 3.78Å; I626-T644 HydrophobicContact CD1-CG2 3.88Å; I626-T644 HydrophobicContact CG1-CG2 4.33Å; I626-T644 HydrophobicContact CG2-CG2 3.87Å; M628-T644 HydrophobicContact CE-CG2 3.73Å; M628-T644 HydrophobicContact CG-CG2 4.44Å; L640-T644 HydrophobicContact CD2-CG2 4.39Å; P641-T644 VanDerWaalsContact O-CB 3.28Å; P641-T644 WeakPolarHBondContact O-CB 3.32Å; P641-T644 PolarHBondContact O-N 3.5Å; D642-T644 VanDerWaalsContact C-N 3.26Å; D642-T644 PolarHBondContact O-N 3.36Å; T644-D646 VanDerWaalsContact C-N 3.35Å; T644-D646 PolarHBondContact O-N 2.96Å; T644-T647 PolarHBondContact O-N 3.46Å; T644-L648 WeakPolarHBondContact O-CG 2.81Å; T644-L648 PolarHBondContact O-N 3.38Å
645	K	85.7	Confident	82	Confident	65 Å²	65	69 Å²	69	28%	0.283	37%	0.367	S	S	.	.	H	α-helix	trans	-61.7	-44.1	175.5	-68.8	-179.3	172.6	-176.9	0	110.8	E591 P641 D642 T647 L648 V649	E591-K645 IonicContact OE1-NZ 3.51Å; E591-K645 PolarHBondContact OE1-NZ 2.9Å; P641-K645 PolarHBondContact O-N 3.23Å; D642-K645 PolarHBondContact O-N 3.45Å; D642-K645 VanDerWaalsContact O-N 3.14Å; K645-T647 PolarHBondContact O-N 3.04Å; K645-L648 PolarHBondContact O-N 2.92Å; K645-V649 VanDerWaalsContact O-CG2 3.29Å; K645-V649 WeakPolarHBondContact O-CG2 3.46Å; K645-V649 PolarHBondContact O-N 3Å
646	D	88.5	Confident	83	Confident	86 Å²	86	64.3 Å²	64.3	46%	0.46	34%	0.344	S	S	.	.	H	α-helix	trans	-63	-40.9	179.4	-74.9	-23.3	0	0	0	113.3	D642 R643 T644 V649 R650	D642-D646 PolarHBondContact O-N 3.14Å; R643-D646 PolarHBondContact O-N 3.1Å; T644-D646 VanDerWaalsContact C-N 3.35Å; T644-D646 PolarHBondContact O-N 2.96Å; D646-V649 PolarHBondContact O-N 3.43Å; D646-R650 WeakPolarHBondContact O-CG 3.49Å; D646-R650 PolarHBondContact O-N 3.36Å
647	T	89	Confident	84.3	Confident	42 Å²	42	62.4 Å²	62.4	26%	0.258	33%	0.329	S	S	.	.	H	α-helix	trans	-60.9	-45.3	175.9	-61.1	0	0	0	0	111.1	I626 R643 T644 K645 R650 F651	I626-T647 HydrophobicContact CG2-CG2 4.4Å; R643-T647 PolarHBondContact O-N 3.18Å; R643-T647 PolarHBondContact O-OG1 3.49Å; R643-T647 VanDerWaalsContact O-OG1 3.13Å; T644-T647 PolarHBondContact O-N 3.46Å; K645-T647 PolarHBondContact O-N 3.04Å; T647-R650 PolarHBondContact O-N 2.96Å; T647-F651 PolarHBondContact O-N 2.56Å
648	L	89	Confident	85.5	Confident	1 Å²	1	61.8 Å²	61.8	1%	0.005	32%	0.32	C	S	.	.	H	α-helix	trans	-70.1	-35.3	179.4	-63.7	177.7	0	0	0	112.4	L587 L590 F624 M628 T644 K645 R650 F651 F652 L677	L587-L648 HydrophobicContact CD2-CB 3.73Å; L587-L648 HydrophobicContact CD2-CD1 4.16Å; L590-L648 HydrophobicContact CD2-CD1 3.53Å; F624-L648 HydrophobicContact CD1-CD2 4.24Å; F624-L648 HydrophobicContact CE1-CD2 4.46Å; F624-L648 HydrophobicContact CG-CD2 4.26Å; M628-L648 HydrophobicContact CE-CD1 4.37Å; T644-L648 WeakPolarHBondContact O-CG 2.81Å; T644-L648 PolarHBondContact O-N 3.38Å; K645-L648 PolarHBondContact O-N 2.92Å; L648-R650 VanDerWaalsContact C-N 3.32Å; L648-R650 PolarHBondContact O-N 3.01Å; L648-F651 PolarHBondContact O-N 3.27Å; L648-F652 VanDerWaalsContact O-CD2 3.27Å; L648-F652 WeakPolarHBondContact O-CD2 3.28Å; L648-F652 PolarHBondContact O-N 3.39Å; L648-L677 HydrophobicContact CD1-CD1 4.49Å; L648-L677 HydrophobicContact CD2-CD1 3.65Å
649	V	91.3	Very high	86.7	Confident	23 Å²	23	60.8 Å²	60.8	14%	0.139	31%	0.314	C	S	.	.	H	α-helix	trans	-57.6	-47.3	170.8	167.4	0	0	0	0	110.3	M580 V583 L587 K645 D646 F651 F652 L653	M580-V649 HydrophobicContact CE-CG1 3.87Å; M580-V649 HydrophobicContact CE-CG2 4.47Å; M580-V649 HydrophobicContact SD-CG1 4.2Å; V583-V649 HydrophobicContact CG1-CB 4.41Å; V583-V649 HydrophobicContact CG1-CG1 4.42Å; V583-V649 HydrophobicContact CG1-CG2 4.18Å; L587-V649 HydrophobicContact CD1-CB 4.35Å; L587-V649 HydrophobicContact CD1-CG2 3.31Å; K645-V649 VanDerWaalsContact O-CG2 3.29Å; K645-V649 WeakPolarHBondContact O-CG2 3.46Å; K645-V649 PolarHBondContact O-N 3Å; D646-V649 PolarHBondContact O-N 3.43Å; V649-F651 VanDerWaalsContact C-N 3.34Å; V649-F651 PolarHBondContact O-N 3.03Å; V649-F652 PolarHBondContact O-N 3.44Å; V649-L653 HydrophobicContact CG1-CD1 3.68Å; V649-L653 HydrophobicContact CG1-CG 4.23Å; V649-L653 WeakPolarHBondContact O-CB 3.43Å; V649-L653 VanDerWaalsContact O-CG 3.26Å; V649-L653 WeakPolarHBondContact O-CG 3.41Å; V649-L653 PolarHBondContact O-N 2.98Å
650	R	90.2	Very high	87.9	Confident	178 Å²	178	54.6 Å²	54.6	67%	0.672	28%	0.276	S	S	*	.	H	α-helix	trans	-62.6	-40.6	178.8	-70.3	176.1	-164.4	168.2	6.3	112.1	D646 T647 L648 L653 A654	D646-R650 WeakPolarHBondContact O-CG 3.49Å; D646-R650 PolarHBondContact O-N 3.36Å; T647-R650 PolarHBondContact O-N 2.96Å; L648-R650 VanDerWaalsContact C-N 3.32Å; L648-R650 PolarHBondContact O-N 3.01Å; R650-L653 PolarHBondContact O-N 3.35Å; R650-A654 PolarHBondContact O-N 3.34Å
651	F	89.9	Confident	88.9	Confident	37 Å²	37	54.2 Å²	54.2	16%	0.162	27%	0.274	C	S	.	.	H	α-helix	trans	-58.6	-52.4	176.3	178.6	-99.9	0	0	0	111.7	F624 T647 L648 V649 L653 A654 Y655 L677 L680 E681	F624-F651 HydrophobicContact CE1-CB 4.36Å; F624-F651 HydrophobicContact CE1-CD1 4.38Å; F624-F651 AromaticContact CE1-CD2 3.63Å; F624-F651 HydrophobicContact CE1-CD2 3.63Å; F624-F651 AromaticContact CE1-CE2 3.91Å; F624-F651 HydrophobicContact CE1-CE2 3.91Å; F624-F651 AromaticContact CE1-CG 3.87Å; F624-F651 HydrophobicContact CE1-CG 3.87Å; F624-F651 HydrophobicContact CE1-CZ 4.39Å; F624-F651 HydrophobicContact CZ-CD2 4.29Å; F624-F651 HydrophobicContact CZ-CE1 4.46Å; F624-F651 HydrophobicContact CZ-CE2 4.16Å; F624-F651 HydrophobicContact CZ-CG 4.46Å; F624-F651 HydrophobicContact CZ-CZ 4.24Å; T647-F651 PolarHBondContact O-N 2.56Å; L648-F651 PolarHBondContact O-N 3.27Å; V649-F651 VanDerWaalsContact C-N 3.34Å; V649-F651 PolarHBondContact O-N 3.03Å; F651-L653 VanDerWaalsContact C-N 3.35Å; F651-L653 PolarHBondContact O-N 3.11Å; F651-A654 WeakPolarHBondContact O-CB 2.77Å; F651-A654 PolarHBondContact O-N 2.83Å; F651-Y655 HydrophobicContact CD1-CE2 4.24Å; F651-Y655 AromaticContact CE1-CE2 3.74Å; F651-Y655 HydrophobicContact CE1-CE2 3.74Å; F651-Y655 HydrophobicContact CE2-CE2 4.38Å; F651-Y655 AromaticContact CZ-CE2 3.84Å; F651-Y655 HydrophobicContact CZ-CE2 3.84Å; F651-Y655 WeakPolarHBondContact O-CD2 3.29Å; F651-L677 HydrophobicContact CD1-CD2 3.63Å; F651-L677 HydrophobicContact CE1-CD2 3.46Å; F651-L677 VanDerWaalsContact CE1-CD2 3.46Å; F651-L677 HydrophobicContact CZ-CD2 4.39Å; F651-L680 HydrophobicContact CE1-CD1 4.34Å; F651-E681 WeakPolarHBondContact CE2-OE1 3.39Å; F651-E681 HydrophobicContact CZ-CG 4.34Å; F651-E681 VanDerWaalsContact CZ-OE1 3.28Å; F651-E681 WeakPolarHBondContact CZ-OE1 3.44Å
652	F	91.1	Very high	89.6	Confident	1 Å²	1	51.7 Å²	51.7	0%	0.004	26%	0.258	C	S	.	.	H	α-helix	trans	-68.7	-31.7	-179.8	-75.5	-65.4	0	0	0	113.2	V583 I586 L587 L648 V649 A654 Y655 L660 L676 L677 L680	V583-F652 HydrophobicContact CB-CB 4.44Å; V583-F652 HydrophobicContact CG1-CB 3.98Å; V583-F652 HydrophobicContact CG2-CB 3.71Å; I586-F652 HydrophobicContact CG2-CE1 4.29Å; I586-F652 HydrophobicContact CG2-CE2 3.89Å; I586-F652 HydrophobicContact CG2-CZ 3.76Å; L587-F652 HydrophobicContact CD2-CD2 4.23Å; L587-F652 HydrophobicContact CD2-CE2 4.05Å; L648-F652 VanDerWaalsContact O-CD2 3.27Å; L648-F652 WeakPolarHBondContact O-CD2 3.28Å; L648-F652 PolarHBondContact O-N 3.39Å; V649-F652 PolarHBondContact O-N 3.44Å; F652-A654 PolarHBondContact O-N 2.93Å; F652-Y655 WeakPolarHBondContact O-CB 3.09Å; F652-Y655 PolarHBondContact O-N 3.32Å; F652-L660 HydrophobicContact CB-CD2 4.01Å; F652-L660 HydrophobicContact CD1-CD2 4.16Å; F652-L660 WeakPolarHBondContact O-CD2 3.44Å; F652-L676 HydrophobicContact CE1-CD2 3.89Å; F652-L676 HydrophobicContact CZ-CD2 4.01Å; F652-L677 HydrophobicContact CE1-CD2 4.23Å; F652-L677 HydrophobicContact CE2-CD2 3.88Å; F652-L677 HydrophobicContact CZ-CD2 3.51Å; F652-L677 HydrophobicContact CZ-CG 4.23Å; F652-L680 HydrophobicContact CE1-CD1 4.03Å
653	L	89.8	Confident	90.2	Very high	75 Å²	75	45.8 Å²	45.8	39%	0.393	23%	0.226	S	C	.	.	H	α-helix	trans	-67	-16.3	175.9	-75	175.8	0	0	0	113.8	M580 V583 V649 R650 F651 Y655	M580-L653 HydrophobicContact SD-CD1 4.31Å; M580-L653 HydrophobicContact SD-CD2 4.34Å; V583-L653 HydrophobicContact CG2-CD2 4.19Å; V583-L653 HydrophobicContact CG2-CG 4.49Å; V649-L653 HydrophobicContact CG1-CD1 3.68Å; V649-L653 HydrophobicContact CG1-CG 4.23Å; V649-L653 WeakPolarHBondContact O-CB 3.43Å; V649-L653 VanDerWaalsContact O-CG 3.26Å; V649-L653 WeakPolarHBondContact O-CG 3.41Å; V649-L653 PolarHBondContact O-N 2.98Å; R650-L653 PolarHBondContact O-N 3.35Å; F651-L653 VanDerWaalsContact C-N 3.35Å; F651-L653 PolarHBondContact O-N 3.11Å; L653-Y655 PolarHBondContact O-N 3.44Å
654	A	88.2	Confident	90.7	Very high	90 Å²	90	38.8 Å²	38.8	74%	0.744	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.6	-21.3	171.1	0	0	0	0	0	112.6	R650 F651 F652	R650-A654 PolarHBondContact O-N 3.34Å; F651-A654 WeakPolarHBondContact O-CB 2.77Å; F651-A654 PolarHBondContact O-N 2.83Å; F652-A654 PolarHBondContact O-N 2.93Å
655	Y	89.8	Confident	91.2	Very high	34 Å²	34	41.4 Å²	41.4	13%	0.133	21%	0.211	C	C	.	.	S	Bend	trans	-81.9	146.6	177.7	-71.3	-95.7	0	0	0	111.7	F651 F652 L653	F651-Y655 HydrophobicContact CD1-CE2 4.24Å; F651-Y655 AromaticContact CE1-CE2 3.74Å; F651-Y655 HydrophobicContact CE1-CE2 3.74Å; F651-Y655 HydrophobicContact CE2-CE2 4.38Å; F651-Y655 AromaticContact CZ-CE2 3.84Å; F651-Y655 HydrophobicContact CZ-CE2 3.84Å; F651-Y655 WeakPolarHBondContact O-CD2 3.29Å; F652-Y655 WeakPolarHBondContact O-CB 3.09Å; F652-Y655 PolarHBondContact O-N 3.32Å; L653-Y655 PolarHBondContact O-N 3.44Å
656	N	90.2	Very high	91.6	Very high	61 Å²	61	38.3 Å²	38.3	33%	0.326	20%	0.198	S	C	.	.			trans	-71.7	166.4	174.4	68.5	53	0	0	0	111.7	A658 S659 L660 N732	N656-A658 VanDerWaalsContact C-N 3.34Å; N656-A658 PolarHBondContact O-N 2.84Å; N656-A658 PolarHBondContact OD1-N 2.97Å; N656-A658 VanDerWaalsContact OD1-N 3.11Å; N656-S659 PolarHBondContact O-N 3.18Å; N656-S659 PolarHBondContact OD1-N 2.8Å; N656-S659 PolarHBondContact OD1-OG 3.45Å; N656-L660 WeakPolarHBondContact O-CG 3.2Å; N656-L660 PolarHBondContact O-N 3.07Å; N656-N732 PolarHBondContact ND2-O 3.32Å
657	F	91.5	Very high	91.9	Very high	47 Å²	47	34.2 Å²	34.2	21%	0.206	18%	0.176	C	C	.	.	H	α-helix	trans	-57.3	-42.9	-177.4	-178.7	-98.5	0	0	0	113.3	N573 Q577 Q579 L582 L660 V661	N573-F657 HydrophobicContact CB-CE1 4.38Å; N573-F657 HydrophobicContact CB-CZ 4.28Å; N573-F657 WeakPolarHBondContact ND2-CZ 3.35Å; Q577-F657 HydrophobicContact CB-CE2 4.47Å; Q577-F657 WeakPolarHBondContact O-CE2 3.44Å; Q579-F657 HydrophobicContact CG-CB 4.11Å; Q579-F657 HydrophobicContact CG-CD2 3.81Å; Q579-F657 HydrophobicContact CG-CG 4.47Å; L582-F657 HydrophobicContact CD1-CD2 3.73Å; L582-F657 HydrophobicContact CD1-CE2 3.47Å; L582-F657 VanDerWaalsContact CD1-CE2 3.47Å; L582-F657 HydrophobicContact CD1-CZ 4.15Å; L582-F657 HydrophobicContact CG-CE2 4.35Å; F657-L660 PolarHBondContact O-N 2.73Å; F657-V661 HydrophobicContact CD1-CG2 4.43Å; F657-V661 HydrophobicContact CE1-CG2 4.01Å; F657-V661 HydrophobicContact CZ-CG2 4.18Å; F657-V661 WeakPolarHBondContact O-CG2 3.31Å; F657-V661 PolarHBondContact O-N 3.41Å; F657-V661 VanDerWaalsContact O-N 3.13Å
658	A	91.5	Very high	92.2	Very high	20 Å²	20	35.9 Å²	35.9	17%	0.165	18%	0.181	C	C	.	.	H	α-helix	trans	-64.8	-43.9	179.4	0	0	0	0	0	111.5	A570 N656 L660 V661 G662 F728 N732	A570-A658 HydrophobicContact CB-CB 4.26Å; N656-A658 VanDerWaalsContact C-N 3.34Å; N656-A658 PolarHBondContact O-N 2.84Å; N656-A658 PolarHBondContact OD1-N 2.97Å; N656-A658 VanDerWaalsContact OD1-N 3.11Å; A658-L660 VanDerWaalsContact C-N 3.29Å; A658-L660 PolarHBondContact O-N 3.2Å; A658-V661 WeakPolarHBondContact O-CB 3.22Å; A658-V661 PolarHBondContact O-N 2.87Å; A658-V661 VanDerWaalsContact O-N 3.16Å; A658-G662 PolarHBondContact O-N 3.35Å; A658-F728 HydrophobicContact CB-CE1 4.25Å; A658-F728 HydrophobicContact CB-CZ 4.39Å; A658-F728 WeakPolarHBondContact O-CE1 3.36Å; A658-N732 HydrophobicContact CB-CB 4.2Å
659	S	92.4	Very high	92.4	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-58.8	-41.5	174.9	-65.7	0	0	0	0	111.9	N656 V661 G662 C663 A729 N732 S733	N656-S659 PolarHBondContact O-N 3.18Å; N656-S659 PolarHBondContact OD1-N 2.8Å; N656-S659 PolarHBondContact OD1-OG 3.45Å; S659-V661 VanDerWaalsContact C-N 3.33Å; S659-V661 PolarHBondContact O-N 3.27Å; S659-G662 PolarHBondContact O-N 2.83Å; S659-G662 VanDerWaalsContact O-N 3.13Å; S659-C663 PolarHBondContact O-N 3.24Å; S659-C663 PolarHBondContact O-SG 3.48Å; S659-A729 PolarHBondContact OG-O 3.4Å; S659-N732 WeakPolarHBondContact OG-CB 3.36Å; S659-S733 PolarHBondContact OG-N 2.89Å
660	L	93.9	Very high	92.5	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-63.8	-34.8	177.3	-72.2	174.2	0	0	0	113.4	Q579 L582 V583 I586 F652 N656 F657 A658 G662 C663 Q664	Q579-L660 HydrophobicContact CB-CD1 4.14Å; Q579-L660 HydrophobicContact CG-CD1 4.28Å; L582-L660 HydrophobicContact CB-CB 4.25Å; L582-L660 HydrophobicContact CD1-CB 3.71Å; V583-L660 HydrophobicContact CG2-CD1 4.06Å; V583-L660 HydrophobicContact CG2-CD2 4.05Å; I586-L660 HydrophobicContact CD1-CD2 4.38Å; F652-L660 HydrophobicContact CB-CD2 4.01Å; F652-L660 HydrophobicContact CD1-CD2 4.16Å; F652-L660 WeakPolarHBondContact O-CD2 3.44Å; N656-L660 WeakPolarHBondContact O-CG 3.2Å; N656-L660 PolarHBondContact O-N 3.07Å; F657-L660 PolarHBondContact O-N 2.73Å; A658-L660 VanDerWaalsContact C-N 3.29Å; A658-L660 PolarHBondContact O-N 3.2Å; L660-G662 VanDerWaalsContact C-N 3.33Å; L660-C663 PolarHBondContact O-N 2.91Å; L660-Q664 PolarHBondContact O-N 2.74Å
661	V	94.4	Very high	92.7	Very high	12 Å²	12	32.7 Å²	32.7	7%	0.073	17%	0.173	C	C	.	.	H	α-helix	trans	-63.6	-41.2	172.9	173	0	0	0	0	110.7	L566 T569 L582 F657 A658 S659 Q664 Y665	L566-V661 HydrophobicContact CD2-CG1 4.39Å; T569-V661 HydrophobicContact CG2-CG1 4.19Å; L582-V661 HydrophobicContact CD1-CG2 3.96Å; F657-V661 HydrophobicContact CD1-CG2 4.43Å; F657-V661 HydrophobicContact CE1-CG2 4.01Å; F657-V661 HydrophobicContact CZ-CG2 4.18Å; F657-V661 WeakPolarHBondContact O-CG2 3.31Å; F657-V661 PolarHBondContact O-N 3.41Å; F657-V661 VanDerWaalsContact O-N 3.13Å; A658-V661 WeakPolarHBondContact O-CB 3.22Å; A658-V661 PolarHBondContact O-N 2.87Å; A658-V661 VanDerWaalsContact O-N 3.16Å; S659-V661 VanDerWaalsContact C-N 3.33Å; S659-V661 PolarHBondContact O-N 3.27Å; V661-Q664 PolarHBondContact O-N 3.46Å; V661-Y665 PolarHBondContact O-N 2.83Å; V661-Y665 VanDerWaalsContact O-N 3.09Å
662	G	94.1	Very high	92.8	Very high	0 Å²	0	31 Å²	31	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-62.3	-44.9	173.3	0	0	0	0	0	112.8	A658 S659 L660 Q664 Y665 A666	A658-G662 PolarHBondContact O-N 3.35Å; S659-G662 PolarHBondContact O-N 2.83Å; S659-G662 VanDerWaalsContact O-N 3.13Å; L660-G662 VanDerWaalsContact C-N 3.33Å; G662-Q664 PolarHBondContact O-N 3.49Å; G662-Y665 PolarHBondContact O-N 3.22Å; G662-A666 PolarHBondContact O-N 3.38Å
663	C	94.6	Very high	92.9	Very high	0 Å²	0	31 Å²	31	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-60.7	-44.1	176	-68.1	0	0	0	0	112.4	I586 S659 L660 Y665 A666 V667 L676	I586-C663 HydrophobicContact CD1-CB 3.84Å; S659-C663 PolarHBondContact O-N 3.24Å; S659-C663 PolarHBondContact O-SG 3.48Å; L660-C663 PolarHBondContact O-N 2.91Å; C663-Y665 VanDerWaalsContact C-N 3.34Å; C663-Y665 PolarHBondContact O-N 2.91Å; C663-A666 PolarHBondContact O-N 2.86Å; C663-V667 WeakPolarHBondContact O-CG2 3.34Å; C663-V667 PolarHBondContact O-N 3.11Å; C663-L676 HydrophobicContact CB-CD2 3.73Å
664	Q	94.6	Very high	92.9	Very high	38 Å²	38	27.4 Å²	27.4	18%	0.178	15%	0.147	C	C	.	.	H	α-helix	trans	-59.3	-47	175.8	-179.2	-175.2	-5.5	0	0	110.8	I586 L660 V661 G662 A666 V667 E668	I586-Q664 HydrophobicContact CD1-CB 4.42Å; I586-Q664 HydrophobicContact CG1-CB 4.24Å; L660-Q664 PolarHBondContact O-N 2.74Å; V661-Q664 PolarHBondContact O-N 3.46Å; G662-Q664 PolarHBondContact O-N 3.49Å; Q664-A666 VanDerWaalsContact C-N 3.32Å; Q664-A666 PolarHBondContact O-N 3.42Å; Q664-V667 PolarHBondContact O-N 2.83Å; Q664-E668 HydrophobicContact CG-CG 4.23Å; Q664-E668 WeakPolarHBondContact CG-OE1 3.4Å; Q664-E668 PolarHBondContact NE2-OE1 3.42Å; Q664-E668 WeakPolarHBondContact O-CB 3.45Å; Q664-E668 WeakPolarHBondContact O-CG 3.34Å; Q664-E668 PolarHBondContact O-N 2.83Å
665	Y	95.1	Very high	93.2	Very high	59 Å²	59	23.1 Å²	23.1	23%	0.231	11%	0.111	C	C	.	.	H	α-helix	trans	-61.4	-39.6	179.8	-175.8	-105.3	0	0	0	112.9	L566 V661 G662 C663 S669 R721	L566-Y665 HydrophobicContact CD1-CD1 4.08Å; L566-Y665 HydrophobicContact CD1-CE1 4.48Å; L566-Y665 HydrophobicContact CD2-CD1 4.08Å; L566-Y665 HydrophobicContact CD2-CD2 4.16Å; L566-Y665 HydrophobicContact CD2-CG 3.73Å; V661-Y665 PolarHBondContact O-N 2.83Å; V661-Y665 VanDerWaalsContact O-N 3.09Å; G662-Y665 PolarHBondContact O-N 3.22Å; C663-Y665 VanDerWaalsContact C-N 3.34Å; C663-Y665 PolarHBondContact O-N 2.91Å; Y665-S669 PolarHBondContact O-N 3Å; Y665-S669 PolarHBondContact O-OG 2.93Å; Y665-R721 HydrophobicContact CE1-CB 4.03Å; Y665-R721 HydrophobicContact CE1-CG 4.47Å; Y665-R721 WeakPolarHBondContact CE1-O 2.97Å
666	A	95.2	Very high	93.5	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-66.8	-44.7	175.9	0	0	0	0	0	112.1	G662 C663 Q664 S669 L670 L676	G662-A666 PolarHBondContact O-N 3.38Å; C663-A666 PolarHBondContact O-N 2.86Å; Q664-A666 VanDerWaalsContact C-N 3.32Å; Q664-A666 PolarHBondContact O-N 3.42Å; A666-S669 WeakPolarHBondContact O-CB 3.29Å; A666-S669 PolarHBondContact O-N 2.82Å; A666-S669 VanDerWaalsContact O-N 3.14Å; A666-L670 PolarHBondContact O-N 3.31Å; A666-L676 HydrophobicContact CB-CD1 3.88Å
667	V	95	Very high	93.6	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-69.3	-37.8	179	167.6	0	0	0	0	112.1	I586 Y589 C663 Q664 S669 L670 K671 L676	I586-V667 HydrophobicContact CG2-CG2 4.18Å; Y589-V667 HydrophobicContact CD2-CG1 3.26Å; Y589-V667 HydrophobicContact CE2-CG1 3.87Å; Y589-V667 HydrophobicContact CG-CG1 3.63Å; C663-V667 WeakPolarHBondContact O-CG2 3.34Å; C663-V667 PolarHBondContact O-N 3.11Å; Q664-V667 PolarHBondContact O-N 2.83Å; V667-S669 PolarHBondContact O-N 3.41Å; V667-L670 PolarHBondContact O-N 3.43Å; V667-K671 VanDerWaalsContact O-CA 3.27Å; V667-K671 WeakPolarHBondContact O-CA 3.36Å; V667-K671 PolarHBondContact O-N 3.19Å; V667-L676 HydrophobicContact CG2-CB 3.49Å; V667-L676 VanDerWaalsContact CG2-CB 3.49Å; V667-L676 HydrophobicContact CG2-CD1 4.38Å; V667-L676 HydrophobicContact CG2-CD2 3.2Å; V667-L676 HydrophobicContact CG2-CG 3.8Å
668	E	94.1	Very high	93.7	Very high	77 Å²	77	16.4 Å²	16.4	36%	0.36	8%	0.08	S	C	.	.	H	α-helix	trans	-63.6	-24.7	172.9	-76.5	180	-178.7	0	0	112.2	Y589 Q664 K671	Y589-E668 HydrophobicContact CE2-CG 4.29Å; Q664-E668 HydrophobicContact CG-CG 4.23Å; Q664-E668 WeakPolarHBondContact CG-OE1 3.4Å; Q664-E668 PolarHBondContact NE2-OE1 3.42Å; Q664-E668 WeakPolarHBondContact O-CB 3.45Å; Q664-E668 WeakPolarHBondContact O-CG 3.34Å; Q664-E668 PolarHBondContact O-N 2.83Å; E668-K671 WeakPolarHBondContact O-CD 3.48Å; E668-K671 WeakPolarHBondContact O-CE 3.47Å; E668-K671 PolarHBondContact O-NZ 3.12Å
669	S	93.9	Very high	93.8	Very high	22 Å²	22	15.5 Å²	15.5	15%	0.154	7%	0.072	C	C	.	.	H	α-helix	trans	-83.3	-48.2	175.7	-57.8	0	0	0	0	111.8	Y665 A666 V667 L718	Y665-S669 PolarHBondContact O-N 3Å; Y665-S669 PolarHBondContact O-OG 2.93Å; A666-S669 WeakPolarHBondContact O-CB 3.29Å; A666-S669 PolarHBondContact O-N 2.82Å; A666-S669 VanDerWaalsContact O-N 3.14Å; V667-S669 PolarHBondContact O-N 3.41Å; S669-L718 WeakPolarHBondContact O-CD1 3.36Å
670	L	93.1	Very high	93.7	Very high	8 Å²	8	16.2 Å²	16.2	4%	0.042	8%	0.076	C	C	.	.	H	α-helix	trans	-77.7	-24.9	-179	-74	174.3	0	0	0	114.5	A666 V667 S672 L675 M679 V690 A693 V722	A666-L670 PolarHBondContact O-N 3.31Å; V667-L670 PolarHBondContact O-N 3.43Å; L670-S672 PolarHBondContact O-N 3.45Å; L670-S672 VanDerWaalsContact O-N 3.16Å; L670-L675 HydrophobicContact CD1-CB 4.22Å; L670-M679 HydrophobicContact CD1-CE 3.29Å; L670-M679 HydrophobicContact CD1-SD 4.23Å; L670-V690 HydrophobicContact CD2-CG2 3.98Å; L670-A693 HydrophobicContact CD2-CB 3.89Å; L670-V722 HydrophobicContact CD1-CG1 3.95Å; L670-V722 HydrophobicContact CD1-CG2 4.23Å; L670-V722 HydrophobicContact CD2-CG2 3.78Å; L670-V722 HydrophobicContact CG-CG1 4.24Å; L670-V722 HydrophobicContact CG-CG2 3.6Å
671	K	93.5	Very high	93.6	Very high	106 Å²	106	19 Å²	19	46%	0.461	9%	0.089	S	C	.	.	S	Bend	trans	59.2	14.9	-170	-48.7	-58.1	-173.6	-170.3	0	114.9	Y589 V667 E668	Y589-K671 HydrophobicContact CD1-CD 4.5Å; Y589-K671 HydrophobicContact CE1-CD 3.83Å; V667-K671 VanDerWaalsContact O-CA 3.27Å; V667-K671 WeakPolarHBondContact O-CA 3.36Å; V667-K671 PolarHBondContact O-N 3.19Å; E668-K671 WeakPolarHBondContact O-CD 3.48Å; E668-K671 WeakPolarHBondContact O-CE 3.47Å; E668-K671 PolarHBondContact O-NZ 3.12Å
672	S	93.3	Very high	93.4	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	11%	0.113	C	C	.	.			trans	-129.6	126.9	179	174.6	0	0	0	0	110.1	D593 L670 L675	D593-S672 WeakPolarHBondContact OD1-CB 3.38Å; D593-S672 PolarHBondContact OD1-OG 3.1Å; D593-S672 WeakPolarHBondContact OD2-CA 3.16Å; D593-S672 PolarHBondContact OD2-OG 3.43Å; L670-S672 PolarHBondContact O-N 3.45Å; L670-S672 VanDerWaalsContact O-N 3.16Å; S672-L675 WeakPolarHBondContact OG-CG 3.38Å; S672-L675 PolarHBondContact OG-N 3.49Å
673	A	91.9	Very high	93.1	Very high	1 Å²	1	29.3 Å²	29.3	1%	0.008	14%	0.136	C	C	.	.	H	α-helix	trans	-84.2	-32.6	178.1	0	0	0	0	0	111.4	L590 D593 L676 L677	L590-A673 HydrophobicContact CB-CB 4.39Å; L590-A673 HydrophobicContact CD1-CB 4.27Å; D593-A673 PolarHBondContact OD2-N 2.91Å; A673-L676 WeakPolarHBondContact O-CB 3.45Å; A673-L676 PolarHBondContact O-N 2.83Å; A673-L677 WeakPolarHBondContact O-CG 3.43Å; A673-L677 PolarHBondContact O-N 3.38Å
674	L	91.2	Very high	93	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-66.4	-41.7	178	-69.1	-176.3	0	0	0	112.2	L590 D593 L595 F596 I617 T620 M628 L676 L677 A678	L590-L674 HydrophobicContact CD1-CD2 3.86Å; L590-L674 HydrophobicContact CD1-CG 3.97Å; D593-L674 PolarHBondContact OD2-N 3.39Å; D593-L674 VanDerWaalsContact OD2-N 3.1Å; L595-L674 HydrophobicContact CB-CD1 4.31Å; L595-L674 HydrophobicContact CD1-CB 3.58Å; L595-L674 HydrophobicContact CD1-CD1 3.94Å; L595-L674 HydrophobicContact CD1-CG 4.38Å; F596-L674 HydrophobicContact CE1-CD1 4.05Å; F596-L674 HydrophobicContact CE2-CD1 4.08Å; F596-L674 HydrophobicContact CZ-CD1 3.64Å; F596-L674 HydrophobicContact CZ-CG 4.41Å; I617-L674 HydrophobicContact CG1-CD1 4.41Å; T620-L674 HydrophobicContact CG2-CD2 3.67Å; M628-L674 HydrophobicContact CE-CD2 4.11Å; M628-L674 HydrophobicContact SD-CD2 4.14Å; L674-L676 VanDerWaalsContact C-N 3.27Å; L674-L676 PolarHBondContact O-N 3.38Å; L674-L677 HydrophobicContact CD2-CD1 4.37Å; L674-L677 PolarHBondContact O-N 2.91Å; L674-A678 PolarHBondContact O-N 3.42Å
675	L	94.4	Very high	92.9	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-63.9	-34.6	174.8	-66.6	176.7	0	0	0	111.7	L595 I616 L670 S672 M679 I684 L692 A693	L595-L675 HydrophobicContact CD1-CD2 3.98Å; L595-L675 HydrophobicContact CD1-CG 3.8Å; L595-L675 HydrophobicContact CD2-CD2 4.47Å; I616-L675 HydrophobicContact CG2-CD2 4.42Å; L670-L675 HydrophobicContact CD1-CB 4.22Å; S672-L675 WeakPolarHBondContact OG-CG 3.38Å; S672-L675 PolarHBondContact OG-N 3.49Å; L675-M679 WeakPolarHBondContact O-CG 3.19Å; L675-M679 PolarHBondContact O-N 3.36Å; L675-I684 HydrophobicContact CD2-CD1 3.81Å; L675-L692 HydrophobicContact CD1-CB 4.21Å; L675-L692 HydrophobicContact CD2-CB 3.92Å; L675-L692 HydrophobicContact CD2-CD1 3.85Å; L675-A693 HydrophobicContact CD1-CB 3.72Å
676	L	94.7	Very high	92.9	Very high	1 Å²	1	28.7 Å²	28.7	1%	0.005	15%	0.147	C	C	.	.	H	α-helix	trans	-61.5	-48.5	171.2	176.9	71.1	0	0	0	111.4	I586 F652 C663 A666 V667 A673 L674 A678 M679 L680	I586-L676 HydrophobicContact CG2-CD2 4.4Å; F652-L676 HydrophobicContact CE1-CD2 3.89Å; F652-L676 HydrophobicContact CZ-CD2 4.01Å; C663-L676 HydrophobicContact CB-CD2 3.73Å; A666-L676 HydrophobicContact CB-CD1 3.88Å; V667-L676 HydrophobicContact CG2-CB 3.49Å; V667-L676 VanDerWaalsContact CG2-CB 3.49Å; V667-L676 HydrophobicContact CG2-CD1 4.38Å; V667-L676 HydrophobicContact CG2-CD2 3.2Å; V667-L676 HydrophobicContact CG2-CG 3.8Å; A673-L676 WeakPolarHBondContact O-CB 3.45Å; A673-L676 PolarHBondContact O-N 2.83Å; L674-L676 VanDerWaalsContact C-N 3.27Å; L674-L676 PolarHBondContact O-N 3.38Å; L676-A678 VanDerWaalsContact C-N 3.31Å; L676-A678 PolarHBondContact O-N 2.9Å; L676-M679 HydrophobicContact CB-CE 4.48Å; L676-M679 HydrophobicContact CD1-CE 4.09Å; L676-M679 PolarHBondContact O-N 3.36Å; L676-L680 HydrophobicContact CD1-CD1 4.21Å; L676-L680 HydrophobicContact CD1-CG 4.15Å; L676-L680 HydrophobicContact CD2-CD1 4.15Å; L676-L680 HydrophobicContact CG-CD1 3.88Å; L676-L680 HydrophobicContact CG-CG 4.24Å; L676-L680 WeakPolarHBondContact O-CG 3.36Å; L676-L680 PolarHBondContact O-N 2.87Å
677	L	92.5	Very high	92.9	Very high	1 Å²	1	33.9 Å²	33.9	1%	0.005	17%	0.172	C	C	.	.	H	α-helix	trans	-59.3	-43.5	179.9	-68.8	170.8	0	0	0	111.4	F624 L648 F651 F652 A673 L674 M679 L680 E681	F624-L677 HydrophobicContact CE2-CB 4.19Å; F624-L677 HydrophobicContact CE2-CD1 4.16Å; F624-L677 HydrophobicContact CE2-CD2 4.48Å; F624-L677 HydrophobicContact CZ-CB 4.42Å; F624-L677 HydrophobicContact CZ-CD1 4.47Å; F624-L677 HydrophobicContact CZ-CD2 4.05Å; L648-L677 HydrophobicContact CD1-CD1 4.49Å; L648-L677 HydrophobicContact CD2-CD1 3.65Å; F651-L677 HydrophobicContact CD1-CD2 3.63Å; F651-L677 HydrophobicContact CE1-CD2 3.46Å; F651-L677 VanDerWaalsContact CE1-CD2 3.46Å; F651-L677 HydrophobicContact CZ-CD2 4.39Å; F652-L677 HydrophobicContact CE1-CD2 4.23Å; F652-L677 HydrophobicContact CE2-CD2 3.88Å; F652-L677 HydrophobicContact CZ-CD2 3.51Å; F652-L677 HydrophobicContact CZ-CG 4.23Å; A673-L677 WeakPolarHBondContact O-CG 3.43Å; A673-L677 PolarHBondContact O-N 3.38Å; L674-L677 HydrophobicContact CD2-CD1 4.37Å; L674-L677 PolarHBondContact O-N 2.91Å; L677-M679 VanDerWaalsContact C-N 3.33Å; L677-M679 PolarHBondContact O-N 2.94Å; L677-L680 PolarHBondContact O-N 2.74Å; L677-E681 PolarHBondContact O-N 3.39Å; L677-E681 VanDerWaalsContact O-N 3.09Å
678	A	93.4	Very high	92.9	Very high	0 Å²	0	38 Å²	38	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-63.9	-35.4	177.1	0	0	0	0	0	112.9	I616 W619 L674 L676 H682 Q683 I684	I616-A678 HydrophobicContact CG2-CB 4.33Å; W619-A678 HydrophobicContact CE3-CB 4.26Å; W619-A678 HydrophobicContact CZ3-CB 3.86Å; L674-A678 PolarHBondContact O-N 3.42Å; L676-A678 VanDerWaalsContact C-N 3.31Å; L676-A678 PolarHBondContact O-N 2.9Å; A678-H682 PolarHBondContact O-N 2.83Å; A678-Q683 HydrophobicContact CB-CB 4.43Å; A678-Q683 WeakPolarHBondContact O-CB 3.42Å; A678-Q683 PolarHBondContact O-N 2.86Å; A678-I684 HydrophobicContact CB-CD1 3.65Å; A678-I684 HydrophobicContact CB-CG1 3.76Å; A678-I684 PolarHBondContact O-N 3.33Å
679	M	94.3	Very high	92.9	Very high	1 Å²	1	34.3 Å²	34.3	1%	0.005	18%	0.176	C	C	.	.	H	α-helix	trans	-71.3	-39.8	173.7	-73.8	-173.6	-58	0	0	112.8	L670 L675 L676 L677 E681 H682 I684 V686 A689 V722 L726	L670-M679 HydrophobicContact CD1-CE 3.29Å; L670-M679 HydrophobicContact CD1-SD 4.23Å; L675-M679 WeakPolarHBondContact O-CG 3.19Å; L675-M679 PolarHBondContact O-N 3.36Å; L676-M679 HydrophobicContact CB-CE 4.48Å; L676-M679 HydrophobicContact CD1-CE 4.09Å; L676-M679 PolarHBondContact O-N 3.36Å; L677-M679 VanDerWaalsContact C-N 3.33Å; L677-M679 PolarHBondContact O-N 2.94Å; M679-E681 VanDerWaalsContact C-N 3.33Å; M679-E681 PolarHBondContact O-N 3.38Å; M679-H682 PolarHBondContact O-N 2.68Å; M679-I684 HydrophobicContact CG-CD1 4.11Å; M679-I684 HydrophobicContact CG-CG1 3.73Å; M679-V686 HydrophobicContact SD-CG2 4.35Å; M679-A689 HydrophobicContact CE-CB 4.46Å; M679-A689 HydrophobicContact CG-CB 3.79Å; M679-A689 HydrophobicContact SD-CB 3.49Å; M679-A689 WeakPolarHBondContact SD-CB 3.06Å; M679-V722 HydrophobicContact CE-CG1 3.65Å; M679-V722 HydrophobicContact SD-CG1 3.59Å; M679-V722 VanDerWaalsContact SD-CG1 3.59Å; M679-L726 HydrophobicContact CB-CD1 4.05Å; M679-L726 HydrophobicContact CB-CD2 4.08Å; M679-L726 HydrophobicContact SD-CD2 4.31Å
680	L	91.5	Very high	93	Very high	15 Å²	15	33.3 Å²	33.3	8%	0.079	17%	0.169	C	C	.	.	H	α-helix	trans	-65.3	-36.9	179.8	-73.7	172.9	0	0	0	112.1	F651 F652 L676 L677 H682 L726 A729	F651-L680 HydrophobicContact CE1-CD1 4.34Å; F652-L680 HydrophobicContact CE1-CD1 4.03Å; L676-L680 HydrophobicContact CD1-CD1 4.21Å; L676-L680 HydrophobicContact CD1-CG 4.15Å; L676-L680 HydrophobicContact CD2-CD1 4.15Å; L676-L680 HydrophobicContact CG-CD1 3.88Å; L676-L680 HydrophobicContact CG-CG 4.24Å; L676-L680 WeakPolarHBondContact O-CG 3.36Å; L676-L680 PolarHBondContact O-N 2.87Å; L677-L680 PolarHBondContact O-N 2.74Å; L680-H682 PolarHBondContact O-N 3.13Å; L680-L726 HydrophobicContact CD2-CD1 3.92Å; L680-L726 HydrophobicContact CG-CD1 4.49Å; L680-A729 HydrophobicContact CD2-CB 4.23Å
681	E	90.2	Very high	93	Very high	58 Å²	58	35.9 Å²	35.9	27%	0.271	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.7	18.6	176	-67.5	-63.8	149.4	0	0	113.1	W619 H623 F651 L677 M679 Q683	W619-E681 HydrophobicContact CH2-CB 3.76Å; W619-E681 HydrophobicContact CH2-CG 4.06Å; W619-E681 HydrophobicContact CZ2-CB 3.75Å; W619-E681 HydrophobicContact CZ2-CG 4.25Å; H623-E681 IonicContact CE1-OE2 3.51Å; H623-E681 IonicContact NE2-OE2 2.72Å; F651-E681 WeakPolarHBondContact CE2-OE1 3.39Å; F651-E681 HydrophobicContact CZ-CG 4.34Å; F651-E681 VanDerWaalsContact CZ-OE1 3.28Å; F651-E681 WeakPolarHBondContact CZ-OE1 3.44Å; L677-E681 PolarHBondContact O-N 3.39Å; L677-E681 VanDerWaalsContact O-N 3.09Å; M679-E681 VanDerWaalsContact C-N 3.33Å; M679-E681 PolarHBondContact O-N 3.38Å; E681-Q683 PolarHBondContact O-N 3.49Å; E681-Q683 VanDerWaalsContact O-N 3.08Å; E681-Q683 PolarHBondContact O-NE2 2.79Å
682	H	90.8	Very high	93.1	Very high	124 Å²	124	31.8 Å²	31.8	57%	0.574	16%	0.164	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.5	27.9	174.7	-58	-71.3	0	0	0	115.7	A678 M679 L680 Y730	A678-H682 PolarHBondContact O-N 2.83Å; M679-H682 PolarHBondContact O-N 2.68Å; L680-H682 PolarHBondContact O-N 3.13Å; H682-Y730 AromaticContact CE1-CD2 3.81Å; H682-Y730 AromaticContact CE1-CE2 3.59Å; H682-Y730 AromaticContact NE2-CD2 3.92Å; H682-Y730 AromaticContact NE2-CE2 3.49Å; H682-Y730 WeakPolarHBondContact NE2-CE2 3.41Å
683	Q	87.6	Confident	93.2	Very high	105 Å²	105	32.9 Å²	32.9	49%	0.491	17%	0.173	S	C	.	.	S	Bend	trans	-80.2	-37.2	176.1	-62	-59.2	-55.6	0	0	112.8	W619 A678 E681	W619-Q683 HydrophobicContact CD2-CG 3.86Å; W619-Q683 HydrophobicContact CE3-CG 4.42Å; W619-Q683 HydrophobicContact CG-CG 4.39Å; W619-Q683 HydrophobicContact CH2-CG 3.95Å; W619-Q683 HydrophobicContact CZ2-CG 3.3Å; W619-Q683 HydrophobicContact CZ3-CG 4.46Å; A678-Q683 HydrophobicContact CB-CB 4.43Å; A678-Q683 WeakPolarHBondContact O-CB 3.42Å; A678-Q683 PolarHBondContact O-N 2.86Å; E681-Q683 PolarHBondContact O-N 3.49Å; E681-Q683 VanDerWaalsContact O-N 3.08Å; E681-Q683 PolarHBondContact O-NE2 2.79Å
684	I	92.5	Very high	93.3	Very high	24 Å²	24	33.8 Å²	33.8	12%	0.123	18%	0.178	C	C	.	.	S	Bend	trans	-126.9	143.2	-178.1	63.1	178.2	0	0	0	110.7	I616 L675 A678 M679 A689 L692	I616-I684 HydrophobicContact CD1-CG2 3.63Å; L675-I684 HydrophobicContact CD2-CD1 3.81Å; A678-I684 HydrophobicContact CB-CD1 3.65Å; A678-I684 HydrophobicContact CB-CG1 3.76Å; A678-I684 PolarHBondContact O-N 3.33Å; M679-I684 HydrophobicContact CG-CD1 4.11Å; M679-I684 HydrophobicContact CG-CG1 3.73Å; I684-A689 HydrophobicContact CD1-CB 3.65Å; I684-A689 HydrophobicContact CG1-CB 4.24Å; I684-L692 HydrophobicContact CD1-CD1 4.29Å
685	G	93.5	Very high	93.4	Very high	36 Å²	36	34.7 Å²	34.7	37%	0.371	18%	0.183	S	C	.	.			trans	-71.7	164.5	169.5	0	0	0	0	0	111.8	E687 D688 A689	G685-E687 VanDerWaalsContact C-N 3.34Å; G685-E687 PolarHBondContact O-N 3.03Å; G685-D688 PolarHBondContact O-N 3.16Å; G685-A689 WeakPolarHBondContact O-CB 3.44Å; G685-A689 PolarHBondContact O-N 3.29Å
686	V	94.6	Very high	93.2	Very high	24 Å²	24	38.1 Å²	38.1	15%	0.145	20%	0.199	C	C	.	.	H	α-helix	trans	-61.6	-44.1	177.5	175.6	0	0	0	0	111.5	M679 A689 V690 V722 S723 L726	M679-V686 HydrophobicContact SD-CG2 4.35Å; V686-A689 PolarHBondContact O-N 2.72Å; V686-V690 WeakPolarHBondContact O-CG2 3.41Å; V686-V690 PolarHBondContact O-N 3.5Å; V686-V722 HydrophobicContact CG1-CB 3.81Å; V686-V722 HydrophobicContact CG1-CG1 3.69Å; V686-S723 WeakPolarHBondContact CG1-OG 2.81Å; V686-L726 HydrophobicContact CG2-CD2 3.52Å
687	E	94.6	Very high	93	Very high	109 Å²	109	40.8 Å²	40.8	51%	0.509	21%	0.212	S	C	.	.	H	α-helix	trans	-63.7	-45.9	-177.6	-167.7	152.1	167	0	0	110.4	G685 A689 V690 Q691 H715	G685-E687 VanDerWaalsContact C-N 3.34Å; G685-E687 PolarHBondContact O-N 3.03Å; E687-A689 PolarHBondContact O-N 3.45Å; E687-V690 WeakPolarHBondContact O-CB 3.28Å; E687-V690 PolarHBondContact O-N 3.47Å; E687-V690 VanDerWaalsContact O-N 3.15Å; E687-Q691 WeakPolarHBondContact O-CG 3.32Å; E687-Q691 PolarHBondContact O-N 2.71Å; E687-H715 IonicContact OE1-NE2 3.89Å
688	D	94.4	Very high	92.9	Very high	86 Å²	86	43.9 Å²	43.9	46%	0.46	22%	0.223	S	C	.	.	H	α-helix	trans	-58.4	-45.7	174.9	-59.6	-35.5	0	0	0	111.9	G685 V690 Q691 L692	G685-D688 PolarHBondContact O-N 3.16Å; D688-V690 VanDerWaalsContact C-N 3.29Å; D688-V690 PolarHBondContact O-N 2.97Å; D688-Q691 PolarHBondContact O-N 2.9Å; D688-Q691 VanDerWaalsContact O-N 3.07Å; D688-L692 VanDerWaalsContact O-CG 3.28Å; D688-L692 WeakPolarHBondContact O-CG 3.46Å; D688-L692 PolarHBondContact O-N 2.99Å
689	A	95.2	Very high	92.7	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-58.3	-41.6	175.9	0	0	0	0	0	112	M679 I684 G685 V686 E687 L692 A693	M679-A689 HydrophobicContact CE-CB 4.46Å; M679-A689 HydrophobicContact CG-CB 3.79Å; M679-A689 HydrophobicContact SD-CB 3.49Å; M679-A689 WeakPolarHBondContact SD-CB 3.06Å; I684-A689 HydrophobicContact CD1-CB 3.65Å; I684-A689 HydrophobicContact CG1-CB 4.24Å; G685-A689 WeakPolarHBondContact O-CB 3.44Å; G685-A689 PolarHBondContact O-N 3.29Å; V686-A689 PolarHBondContact O-N 2.72Å; E687-A689 PolarHBondContact O-N 3.45Å; A689-L692 PolarHBondContact O-N 3.09Å; A689-A693 WeakPolarHBondContact O-CB 3.33Å; A689-A693 PolarHBondContact O-N 3.05Å
690	V	96	Very high	92.3	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-66.9	-39	175	171.8	0	0	0	0	111.3	L670 V686 E687 D688 L692 A693 T694 L718 V722	L670-V690 HydrophobicContact CD2-CG2 3.98Å; V686-V690 WeakPolarHBondContact O-CG2 3.41Å; V686-V690 PolarHBondContact O-N 3.5Å; E687-V690 WeakPolarHBondContact O-CB 3.28Å; E687-V690 PolarHBondContact O-N 3.47Å; E687-V690 VanDerWaalsContact O-N 3.15Å; D688-V690 VanDerWaalsContact C-N 3.29Å; D688-V690 PolarHBondContact O-N 2.97Å; V690-L692 VanDerWaalsContact C-N 3.32Å; V690-L692 PolarHBondContact O-N 3.45Å; V690-A693 PolarHBondContact O-N 2.83Å; V690-T694 WeakPolarHBondContact O-CB 3.1Å; V690-T694 PolarHBondContact O-N 3.4Å; V690-T694 PolarHBondContact O-OG1 3.46Å; V690-L718 HydrophobicContact CG1-CB 4.29Å; V690-L718 HydrophobicContact CG1-CD2 3.67Å; V690-L718 HydrophobicContact CG1-CG 3.92Å; V690-L718 HydrophobicContact CG2-CD2 4.31Å; V690-L718 HydrophobicContact CG2-CG 3.88Å; V690-V722 HydrophobicContact CG2-CB 4.49Å; V690-V722 HydrophobicContact CG2-CG2 4.27Å
691	Q	93.9	Very high	92.1	Very high	63 Å²	63	47 Å²	47	29%	0.294	24%	0.237	S	C	.	.	H	α-helix	trans	-64.5	-39.2	175.6	-41	-153.5	3.8	0	0	111.6	E687 D688 T694 L695 R698	E687-Q691 WeakPolarHBondContact O-CG 3.32Å; E687-Q691 PolarHBondContact O-N 2.71Å; D688-Q691 PolarHBondContact O-N 2.9Å; D688-Q691 VanDerWaalsContact O-N 3.07Å; Q691-T694 CarbonylContact O-C 3.42Å; Q691-T694 PolarHBondContact O-N 3.33Å; Q691-L695 VanDerWaalsContact O-CA 3.23Å; Q691-L695 WeakPolarHBondContact O-CA 3.23Å; Q691-L695 PolarHBondContact O-N 3.48Å; Q691-R698 VanDerWaalsContact CD-NH2 3.27Å; Q691-R698 VanDerWaalsContact CG-NH1 3.28Å; Q691-R698 VanDerWaalsContact OE1-NH2 3.14Å
692	L	95	Very high	91.7	Very high	20 Å²	20	50.4 Å²	50.4	11%	0.105	26%	0.257	C	S	.	.	H	α-helix	trans	-68.1	-42.2	177.5	-68.9	172.2	0	0	0	112	K612 W613 I616 L675 I684 D688 A689 V690 T694 L695	K612-L692 HydrophobicContact CB-CD2 3.66Å; K612-L692 HydrophobicContact CG-CD2 4.46Å; W613-L692 PolarHBondContact NE1-O 3.49Å; I616-L692 HydrophobicContact CD1-CD1 4.28Å; I616-L692 HydrophobicContact CG1-CD1 4.03Å; L675-L692 HydrophobicContact CD1-CB 4.21Å; L675-L692 HydrophobicContact CD2-CB 3.92Å; L675-L692 HydrophobicContact CD2-CD1 3.85Å; I684-L692 HydrophobicContact CD1-CD1 4.29Å; D688-L692 VanDerWaalsContact O-CG 3.28Å; D688-L692 WeakPolarHBondContact O-CG 3.46Å; D688-L692 PolarHBondContact O-N 2.99Å; A689-L692 PolarHBondContact O-N 3.09Å; V690-L692 VanDerWaalsContact C-N 3.32Å; V690-L692 PolarHBondContact O-N 3.45Å; L692-T694 VanDerWaalsContact C-N 3.3Å; L692-T694 PolarHBondContact O-N 3.44Å; L692-L695 VanDerWaalsContact O-CB 3.3Å; L692-L695 WeakPolarHBondContact O-CB 3.3Å; L692-L695 PolarHBondContact O-N 3.01Å
693	A	94.5	Very high	91.1	Very high	23 Å²	23	51.2 Å²	51.2	19%	0.19	26%	0.255	C	S	.	.	H	α-helix	trans	-64.3	-36.7	176.1	0	0	0	0	0	112	L670 L675 A689 V690	L670-A693 HydrophobicContact CD2-CB 3.89Å; L675-A693 HydrophobicContact CD1-CB 3.72Å; A689-A693 WeakPolarHBondContact O-CB 3.33Å; A689-A693 PolarHBondContact O-N 3.05Å; V690-A693 PolarHBondContact O-N 2.83Å
694	T	93.8	Very high	90.7	Very high	19 Å²	19	49.5 Å²	49.5	12%	0.117	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.5	14.9	179.3	59.5	0	0	0	0	113	V690 Q691 L692 E696 Q697 R698 L718	V690-T694 WeakPolarHBondContact O-CB 3.1Å; V690-T694 PolarHBondContact O-N 3.4Å; V690-T694 PolarHBondContact O-OG1 3.46Å; Q691-T694 CarbonylContact O-C 3.42Å; Q691-T694 PolarHBondContact O-N 3.33Å; L692-T694 VanDerWaalsContact C-N 3.3Å; L692-T694 PolarHBondContact O-N 3.44Å; T694-E696 VanDerWaalsContact C-N 3.32Å; T694-E696 PolarHBondContact O-N 3.2Å; T694-Q697 CarbonylContact O-C 3.14Å; T694-Q697 WeakPolarHBondContact O-CA 3.4Å; T694-Q697 WeakPolarHBondContact O-CB 3.28Å; T694-Q697 PolarHBondContact O-N 3.12Å; T694-R698 WeakPolarHBondContact O-CG 3.43Å; T694-R698 PolarHBondContact O-N 3.37Å; T694-L718 HydrophobicContact CG2-CD2 4.03Å
695	L	93.3	Very high	89.8	Confident	19 Å²	19	50.4 Å²	50.4	10%	0.099	26%	0.26	C	S	.	.	H	α-helix	trans	-55.8	-45.4	-170.2	-177.9	66.6	0	0	0	112.4	L608 Q609 K612 W613 Q691 L692 R698 Y699	L608-L695 HydrophobicContact CD2-CD1 3.85Å; L608-L695 HydrophobicContact CD2-CG 4.36Å; L608-L695 HydrophobicContact CG-CD1 4.14Å; L608-L695 HydrophobicContact CG-CD2 4.35Å; Q609-L695 HydrophobicContact CG-CD2 4.14Å; K612-L695 HydrophobicContact CB-CD2 4.16Å; W613-L695 HydrophobicContact CD2-CD2 4.35Å; W613-L695 HydrophobicContact CG-CD2 4.45Å; W613-L695 HydrophobicContact CZ2-CB 4.05Å; W613-L695 HydrophobicContact CZ2-CD2 4.25Å; Q691-L695 VanDerWaalsContact O-CA 3.23Å; Q691-L695 WeakPolarHBondContact O-CA 3.23Å; Q691-L695 PolarHBondContact O-N 3.48Å; L692-L695 VanDerWaalsContact O-CB 3.3Å; L692-L695 WeakPolarHBondContact O-CB 3.3Å; L692-L695 PolarHBondContact O-N 3.01Å; L695-R698 PolarHBondContact O-N 3.2Å; L695-Y699 WeakPolarHBondContact O-CB 3.31Å; L695-Y699 PolarHBondContact O-N 2.89Å
696	E	91.3	Very high	88.9	Confident	72 Å²	72	55.5 Å²	55.5	34%	0.336	27%	0.268	S	S	.	.	H	α-helix	trans	-67.9	-42.4	177.7	-177.2	163.5	-163.7	0	0	111.7	L605 T694 R698 Y699 Q700	L605-E696 HydrophobicContact CD2-CG 4.06Å; T694-E696 VanDerWaalsContact C-N 3.32Å; T694-E696 PolarHBondContact O-N 3.2Å; E696-R698 VanDerWaalsContact C-N 3.29Å; E696-R698 PolarHBondContact O-N 3.3Å; E696-Y699 PolarHBondContact O-N 3.41Å; E696-Q700 WeakPolarHBondContact O-CB 3.47Å; E696-Q700 WeakPolarHBondContact O-CG 3.45Å; E696-Q700 PolarHBondContact O-N 2.92Å
697	Q	91	Very high	88.2	Confident	58 Å²	58	58.3 Å²	58.3	27%	0.271	29%	0.285	S	S	.	.	H	α-helix	trans	-60.8	-38.7	173.8	179.9	175.7	-36.9	0	0	111.7	T694 Q700 T701 E714	T694-Q697 CarbonylContact O-C 3.14Å; T694-Q697 WeakPolarHBondContact O-CA 3.4Å; T694-Q697 WeakPolarHBondContact O-CB 3.28Å; T694-Q697 PolarHBondContact O-N 3.12Å; Q697-Q700 PolarHBondContact O-N 2.65Å; Q697-T701 VanDerWaalsContact O-CB 3.25Å; Q697-T701 WeakPolarHBondContact O-CB 3.36Å; Q697-T701 PolarHBondContact O-N 3.48Å; Q697-T701 PolarHBondContact O-OG1 3.05Å; Q697-E714 PolarHBondContact NE2-OE2 2.84Å
698	R	90.3	Very high	87.4	Confident	66 Å²	66	60 Å²	60	25%	0.249	29%	0.292	C	S	.	.	H	α-helix	trans	-68.5	-46.9	176.7	-70.2	174.7	90	120.9	-6	111.3	Q691 T694 L695 E696 Q700 T701 D702 H715	Q691-R698 VanDerWaalsContact CD-NH2 3.27Å; Q691-R698 VanDerWaalsContact CG-NH1 3.28Å; Q691-R698 VanDerWaalsContact OE1-NH2 3.14Å; T694-R698 WeakPolarHBondContact O-CG 3.43Å; T694-R698 PolarHBondContact O-N 3.37Å; L695-R698 PolarHBondContact O-N 3.2Å; E696-R698 VanDerWaalsContact C-N 3.29Å; E696-R698 PolarHBondContact O-N 3.3Å; R698-Q700 PolarHBondContact O-N 3.28Å; R698-T701 CarbonylContact O-C 3.55Å; R698-T701 WeakPolarHBondContact O-CA 3.39Å; R698-T701 WeakPolarHBondContact O-CB 3.48Å; R698-T701 PolarHBondContact O-N 3.33Å; R698-D702 PolarHBondContact O-N 3.06Å; R698-H715 PolarHBondContact NH1-CE1 3.5Å; R698-H715 VanDerWaalsContact NH1-CE1 3.32Å
699	Y	89.5	Confident	86.4	Confident	38 Å²	38	65.7 Å²	65.7	15%	0.149	31%	0.308	C	S	.	.	H	α-helix	trans	-54.1	-44.3	174	175.8	-92.2	0	0	0	111.5	P602 E604 L605 L608 L695 E696 D702 R703	P602-Y699 HydrophobicContact CG-CE1 3.81Å; P602-Y699 WeakPolarHBondContact CG-OH 3.11Å; E604-Y699 HydrophobicContact CB-CE2 4.39Å; L605-Y699 HydrophobicContact CB-CD1 4.09Å; L605-Y699 HydrophobicContact CB-CD2 4.3Å; L605-Y699 HydrophobicContact CB-CE1 3.89Å; L605-Y699 HydrophobicContact CB-CE2 4.09Å; L605-Y699 HydrophobicContact CB-CG 4.3Å; L605-Y699 HydrophobicContact CD1-CD1 3.98Å; L605-Y699 HydrophobicContact CD1-CD2 4.15Å; L605-Y699 HydrophobicContact CD1-CG 3.72Å; L605-Y699 HydrophobicContact CD2-CD1 4.14Å; L605-Y699 HydrophobicContact CD2-CE1 4.42Å; L605-Y699 HydrophobicContact CG-CD1 4.29Å; L605-Y699 HydrophobicContact CG-CG 4.45Å; L608-Y699 HydrophobicContact CD2-CD2 4.42Å; L695-Y699 WeakPolarHBondContact O-CB 3.31Å; L695-Y699 PolarHBondContact O-N 2.89Å; E696-Y699 PolarHBondContact O-N 3.41Å; Y699-D702 PolarHBondContact O-N 3.48Å; Y699-R703 WeakPolarHBondContact O-CB 3.42Å; Y699-R703 PolarHBondContact O-N 3.08Å; Y699-R703 VanDerWaalsContact O-N 3.14Å
700	Q	85.9	Confident	85.9	Confident	30 Å²	30	67.8 Å²	67.8	14%	0.14	33%	0.325	C	S	.	.	H	α-helix	trans	-69.6	-38.6	177.3	-63.9	-77.3	19.9	0	0	111.5	Y347 E696 Q697 R698 D702 R703 W704	Y347-Q700 HydrophobicContact CE1-CB 3.88Å; Y347-Q700 HydrophobicContact CE1-CG 3.75Å; Y347-Q700 VanDerWaalsContact OH-CB 3.3Å; Y347-Q700 WeakPolarHBondContact OH-CB 3.43Å; E696-Q700 WeakPolarHBondContact O-CB 3.47Å; E696-Q700 WeakPolarHBondContact O-CG 3.45Å; E696-Q700 PolarHBondContact O-N 2.92Å; Q697-Q700 PolarHBondContact O-N 2.65Å; R698-Q700 PolarHBondContact O-N 3.28Å; Q700-D702 PolarHBondContact O-N 2.92Å; Q700-R703 PolarHBondContact O-N 3.29Å; Q700-W704 WeakPolarHBondContact O-CB 3.23Å; Q700-W704 PolarHBondContact O-N 3.28Å
701	T	85.8	Confident	85.4	Confident	12 Å²	12	69.8 Å²	69.8	7%	0.074	33%	0.334	C	S	.	.	H	α-helix	trans	-64.6	-38.3	175.7	-63.8	0	0	0	0	112.2	Q697 R698 R703 G705 R706 H711	Q697-T701 VanDerWaalsContact O-CB 3.25Å; Q697-T701 WeakPolarHBondContact O-CB 3.36Å; Q697-T701 PolarHBondContact O-N 3.48Å; Q697-T701 PolarHBondContact O-OG1 3.05Å; R698-T701 CarbonylContact O-C 3.55Å; R698-T701 WeakPolarHBondContact O-CA 3.39Å; R698-T701 WeakPolarHBondContact O-CB 3.48Å; R698-T701 PolarHBondContact O-N 3.33Å; T701-R703 VanDerWaalsContact C-N 3.3Å; T701-G705 CarbonylContact O-C 3.56Å; T701-G705 WeakPolarHBondContact O-CA 3.45Å; T701-G705 PolarHBondContact O-N 3.26Å; T701-R706 HydrophobicContact CG2-CB 3.58Å; T701-R706 HydrophobicContact CG2-CG 3.83Å; T701-H711 PolarHBondContact OG1-ND1 3.25Å
702	D	81.3	Confident	85	Confident	130 Å²	130	68.7 Å²	68.7	70%	0.695	33%	0.331	S	S	*	.	H	α-helix	trans	-69.1	-32.8	176.7	-69.9	-18.6	0	0	0	111.1	R698 Y699 Q700	R698-D702 PolarHBondContact O-N 3.06Å; Y699-D702 PolarHBondContact O-N 3.48Å; Q700-D702 PolarHBondContact O-N 2.92Å
703	R	79.2	Confident	84.8	Confident	141 Å²	141	72.2 Å²	72.2	53%	0.532	35%	0.348	S	S	.	.	H	α-helix	trans	-77.5	-41.3	176.7	-171.9	173.3	-178.9	139.1	0.5	113.5	Y699 Q700 T701	Y699-R703 WeakPolarHBondContact O-CB 3.42Å; Y699-R703 PolarHBondContact O-N 3.08Å; Y699-R703 VanDerWaalsContact O-N 3.14Å; Q700-R703 PolarHBondContact O-N 3.29Å; T701-R703 VanDerWaalsContact C-N 3.3Å
704	W	79.7	Confident	84.6	Confident	69 Å²	69	75.5 Å²	75.5	26%	0.261	36%	0.36	S	S	.	.	H	α-helix	trans	-103	-9.3	-171.8	-55.4	121.8	0	0	0	114.7	G348 P350 Q700	G348-W704 VanDerWaalsContact C-CZ2 3.43Å; G348-W704 WeakPolarHBondContact O-CH2 3.32Å; G348-W704 WeakPolarHBondContact O-CZ2 3.36Å; P350-W704 HydrophobicContact CB-CE3 3.8Å; P350-W704 HydrophobicContact CB-CH2 4.04Å; P350-W704 HydrophobicContact CB-CZ3 3.18Å; P350-W704 HydrophobicContact CG-CE3 4.18Å; P350-W704 HydrophobicContact CG-CH2 3.46Å; P350-W704 VanDerWaalsContact CG-CH2 3.46Å; P350-W704 HydrophobicContact CG-CZ3 3.14Å; P350-W704 VanDerWaalsContact N-CZ3 3.26Å; Q700-W704 WeakPolarHBondContact O-CB 3.23Å; Q700-W704 PolarHBondContact O-N 3.28Å
705	G	72.9	Confident	84.6	Confident	44 Å²	44	76.1 Å²	76.1	45%	0.454	36%	0.361	S	S	.	.			trans	92	155.5	-172.5	0	0	0	0	0	112.5	T701	T701-G705 CarbonylContact O-C 3.56Å; T701-G705 WeakPolarHBondContact O-CA 3.45Å; T701-G705 PolarHBondContact O-N 3.26Å
706	R	75.6	Confident	84.6	Confident	143 Å²	143	82.4 Å²	82.4	54%	0.54	39%	0.385	S	S	.	.			trans	-91.8	133.6	-178.7	-170.9	-179.2	-63.7	-177.9	1	112.1	T701 Q708 H711 D712	T701-R706 HydrophobicContact CG2-CB 3.58Å; T701-R706 HydrophobicContact CG2-CG 3.83Å; R706-Q708 PolarHBondContact O-N 2.68Å; R706-H711 HydrophobicContact CG-CB 3.97Å; R706-D712 WeakPolarHBondContact CD-OD1 3.31Å; R706-D712 IonicContact CZ-OD1 2.74Å; R706-D712 IonicContact NE-OD1 3.4Å; R706-D712 IonicContact NH1-OD1 3.13Å; R706-D712 PolarHBondContact NH1-OD1 3.26Å
707	V	80	Confident	84.7	Confident	83 Å²	83	81.3 Å²	81.3	50%	0.503	38%	0.381	S	S	.	.			trans	-84.4	106.5	169.2	-175.2	0	0	0	0	109.1	A710 H711	V707-A710 HydrophobicContact CB-CB 4.13Å; V707-A710 HydrophobicContact CG1-CB 3.79Å; V707-A710 PolarHBondContact O-N 3.39Å; V707-H711 PolarHBondContact N-ND1 3.22Å; V707-H711 PolarHBondContact O-N 2.96Å
708	Q	77.4	Confident	84.9	Confident	143 Å²	143	79.6 Å²	79.6	67%	0.668	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.9	144.1	174.7	-64.7	-178.4	9.4	0	0	110.3	R706 A710	R706-Q708 PolarHBondContact O-N 2.68Å; Q708-A710 PolarHBondContact O-N 3.32Å; Q708-A710 VanDerWaalsContact O-N 3.12Å
709	W	72	Confident	85.2	Confident	206 Å²	206	77.2 Å²	77.2	78%	0.78	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.4	1.8	-178.4	-49	96.1	0	0	0	116.2	I713	W709-I713 HydrophobicContact CB-CD1 4.28Å; W709-I713 HydrophobicContact CE3-CD1 4.23Å; W709-I713 WeakPolarHBondContact O-CD1 3.42Å; W709-I713 WeakPolarHBondContact O-CG1 3.07Å
710	A	84.6	Confident	85.4	Confident	44 Å²	44	77.7 Å²	77.7	36%	0.364	38%	0.376	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110.8	-71.6	168.6	0	0	0	0	0	109.6	V707 Q708 D712 I713 E714	V707-A710 HydrophobicContact CB-CB 4.13Å; V707-A710 HydrophobicContact CG1-CB 3.79Å; V707-A710 PolarHBondContact O-N 3.39Å; Q708-A710 PolarHBondContact O-N 3.32Å; Q708-A710 VanDerWaalsContact O-N 3.12Å; A710-D712 VanDerWaalsContact C-N 3.3Å; A710-D712 PolarHBondContact O-N 2.99Å; A710-I713 PolarHBondContact O-N 3.2Å; A710-E714 WeakPolarHBondContact O-CB 3.48Å; A710-E714 PolarHBondContact O-N 3.41Å
711	H	85.7	Confident	85.8	Confident	42 Å²	42	81 Å²	81	19%	0.194	39%	0.387	C	S	.	.	H	α-helix	trans	-63.2	-36.1	-177	-58.9	163.3	0	0	0	112.1	T701 R706 V707 H715	T701-H711 PolarHBondContact OG1-ND1 3.25Å; R706-H711 HydrophobicContact CG-CB 3.97Å; V707-H711 PolarHBondContact N-ND1 3.22Å; V707-H711 PolarHBondContact O-N 2.96Å; H711-H715 VanDerWaalsContact O-CB 3.24Å; H711-H715 WeakPolarHBondContact O-CB 3.36Å; H711-H715 PolarHBondContact O-N 2.82Å
712	D	86	Confident	86.3	Confident	41 Å²	41	80.5 Å²	80.5	22%	0.219	38%	0.384	C	S	.	.	H	α-helix	trans	-68.1	-45.8	177.8	-59.3	-48.1	0	0	0	111.2	R706 A710 H715 Y716	R706-D712 WeakPolarHBondContact CD-OD1 3.31Å; R706-D712 IonicContact CZ-OD1 2.74Å; R706-D712 IonicContact NE-OD1 3.4Å; R706-D712 IonicContact NH1-OD1 3.13Å; R706-D712 PolarHBondContact NH1-OD1 3.26Å; A710-D712 VanDerWaalsContact C-N 3.3Å; A710-D712 PolarHBondContact O-N 2.99Å; D712-H715 PolarHBondContact O-N 2.85Å; D712-Y716 HydrophobicContact CB-CD2 4.46Å; D712-Y716 HydrophobicContact CB-CE2 4.34Å; D712-Y716 WeakPolarHBondContact O-CD2 3.24Å; D712-Y716 PolarHBondContact O-N 3.09Å
713	I	90	Very high	87	Confident	94 Å²	94	76.2 Å²	76.2	48%	0.482	36%	0.364	S	S	.	.	H	α-helix	trans	-64.6	-43.9	178.7	-61.7	-174.8	0	0	0	110.1	W709 A710 Y716 D717	W709-I713 HydrophobicContact CB-CD1 4.28Å; W709-I713 HydrophobicContact CE3-CD1 4.23Å; W709-I713 WeakPolarHBondContact O-CD1 3.42Å; W709-I713 WeakPolarHBondContact O-CG1 3.07Å; A710-I713 PolarHBondContact O-N 3.2Å; I713-Y716 PolarHBondContact O-N 3.12Å; I713-D717 WeakPolarHBondContact O-CB 3.09Å; I713-D717 PolarHBondContact O-N 3.23Å
714	E	90.9	Very high	87.7	Confident	92 Å²	92	69.9 Å²	69.9	43%	0.43	34%	0.342	S	S	.	.	H	α-helix	trans	-59.6	-47.4	176.9	-179.2	175.4	-147.8	0	0	111.3	Q697 A710 D717 L718	Q697-E714 PolarHBondContact NE2-OE2 2.84Å; A710-E714 WeakPolarHBondContact O-CB 3.48Å; A710-E714 PolarHBondContact O-N 3.41Å; E714-D717 PolarHBondContact O-N 2.87Å; E714-L718 WeakPolarHBondContact O-CB 3.37Å; E714-L718 PolarHBondContact O-N 3.44Å
715	H	93.1	Very high	88.4	Confident	32 Å²	32	66.6 Å²	66.6	15%	0.148	33%	0.329	C	S	.	.	H	α-helix	trans	-59.6	-51.5	178.2	-179.9	62.8	0	0	0	111.8	E687 R698 H711 D712 L718 C719	E687-H715 IonicContact OE1-NE2 3.89Å; R698-H715 PolarHBondContact NH1-CE1 3.5Å; R698-H715 VanDerWaalsContact NH1-CE1 3.32Å; H711-H715 VanDerWaalsContact O-CB 3.24Å; H711-H715 WeakPolarHBondContact O-CB 3.36Å; H711-H715 PolarHBondContact O-N 2.82Å; D712-H715 PolarHBondContact O-N 2.85Å; H715-L718 PolarHBondContact O-N 2.92Å; H715-C719 VanDerWaalsContact CE1-SG 3.52Å; H715-C719 WeakPolarHBondContact O-CB 3.47Å; H715-C719 PolarHBondContact O-N 2.84Å; H715-C719 PolarHBondContact O-SG 3.37Å; H715-C719 VanDerWaalsContact O-SG 3.35Å
716	Y	93.8	Very high	89.5	Confident	151 Å²	151	65.9 Å²	65.9	59%	0.592	32%	0.315	S	S	*	.	H	α-helix	trans	-68.5	-36.7	-179.4	-68.5	-58.9	0	0	0	112.8	D712 I713 S720	D712-Y716 HydrophobicContact CB-CD2 4.46Å; D712-Y716 HydrophobicContact CB-CE2 4.34Å; D712-Y716 WeakPolarHBondContact O-CD2 3.24Å; D712-Y716 PolarHBondContact O-N 3.09Å; I713-Y716 PolarHBondContact O-N 3.12Å; Y716-S720 WeakPolarHBondContact O-CB 3.3Å; Y716-S720 PolarHBondContact O-N 3.14Å
717	D	93.6	Very high	90.3	Very high	49 Å²	49	62.8 Å²	62.8	26%	0.262	31%	0.309	S	S	.	.	H	α-helix	trans	-64.7	-44.9	174.4	-175.5	40.7	0	0	0	110.7	R562 I713 E714 S720 R721	R562-D717 IonicContact CZ-OD1 3.79Å; R562-D717 IonicContact NH2-OD1 2.89Å; R562-D717 PolarHBondContact NH2-OD1 3.48Å; I713-D717 WeakPolarHBondContact O-CB 3.09Å; I713-D717 PolarHBondContact O-N 3.23Å; E714-D717 PolarHBondContact O-N 2.87Å; D717-S720 PolarHBondContact O-N 2.79Å; D717-R721 VanDerWaalsContact O-CG 3.29Å; D717-R721 WeakPolarHBondContact O-CG 3.16Å; D717-R721 PolarHBondContact O-N 2.86Å; D717-R721 IonicContact OD1-NE 3.92Å; D717-R721 PolarHBondContact OD1-NE 3.37Å; D717-R721 IonicContact OD1-NH2 3.53Å; D717-R721 IonicContact OD2-CZ 3.8Å; D717-R721 IonicContact OD2-NE 3.04Å; D717-R721 PolarHBondContact OD2-NE 2.84Å; D717-R721 IonicContact OD2-NH2 3.03Å; D717-R721 PolarHBondContact OD2-NH2 2.79Å
718	L	95	Very high	91	Very high	22 Å²	22	59 Å²	59	12%	0.115	29%	0.286	C	S	.	.	H	α-helix	trans	-62.8	-49.2	177.8	-176.1	56.8	0	0	0	111.4	S669 V690 T694 E714 H715 S720 R721 V722	S669-L718 WeakPolarHBondContact O-CD1 3.36Å; V690-L718 HydrophobicContact CG1-CB 4.29Å; V690-L718 HydrophobicContact CG1-CD2 3.67Å; V690-L718 HydrophobicContact CG1-CG 3.92Å; V690-L718 HydrophobicContact CG2-CD2 4.31Å; V690-L718 HydrophobicContact CG2-CG 3.88Å; T694-L718 HydrophobicContact CG2-CD2 4.03Å; E714-L718 WeakPolarHBondContact O-CB 3.37Å; E714-L718 PolarHBondContact O-N 3.44Å; H715-L718 PolarHBondContact O-N 2.92Å; L718-S720 PolarHBondContact O-N 2.76Å; L718-R721 PolarHBondContact O-N 2.87Å; L718-V722 HydrophobicContact CD1-CG2 3.92Å; L718-V722 HydrophobicContact CG-CG2 4.42Å; L718-V722 WeakPolarHBondContact O-CB 3.29Å; L718-V722 VanDerWaalsContact O-CG2 3.25Å; L718-V722 WeakPolarHBondContact O-CG2 3.38Å; L718-V722 PolarHBondContact O-N 2.83Å
719	C	96.3	Very high	91.7	Very high	15 Å²	15	52.2 Å²	52.2	10%	0.101	25%	0.254	C	S	.	.	H	α-helix	trans	-54.7	-40.4	173.5	-75	0	0	0	0	111.8	H715 S723	H715-C719 VanDerWaalsContact CE1-SG 3.52Å; H715-C719 WeakPolarHBondContact O-CB 3.47Å; H715-C719 PolarHBondContact O-N 2.84Å; H715-C719 PolarHBondContact O-SG 3.37Å; H715-C719 VanDerWaalsContact O-SG 3.35Å; C719-S723 WeakPolarHBondContact O-CB 3.32Å; C719-S723 PolarHBondContact O-N 3.4Å; C719-S723 PolarHBondContact O-OG 3.4Å
720	S	94.4	Very high	92.6	Very high	49 Å²	49	45.9 Å²	45.9	34%	0.343	23%	0.23	S	C	.	.	H	α-helix	trans	-75	-35.3	-178.3	-159.8	0	0	0	0	112.9	R562 Y716 D717 L718 A724	R562-S720 VanDerWaalsContact NH1-CB 3.32Å; R562-S720 PolarHBondContact NH1-OG 3.01Å; Y716-S720 WeakPolarHBondContact O-CB 3.3Å; Y716-S720 PolarHBondContact O-N 3.14Å; D717-S720 PolarHBondContact O-N 2.79Å; L718-S720 PolarHBondContact O-N 2.76Å; S720-A724 WeakPolarHBondContact O-CB 3.42Å; S720-A724 PolarHBondContact O-N 3.41Å; S720-A724 VanDerWaalsContact O-N 3.13Å
721	R	95.2	Very high	92.9	Very high	100 Å²	100	45.8 Å²	45.8	38%	0.377	22%	0.222	S	C	.	.	H	α-helix	trans	-67.5	-47.1	173.1	-70.3	178.9	-171.2	-156.5	8.2	111.8	Y665 D717 L718 A724 G725	Y665-R721 HydrophobicContact CE1-CB 4.03Å; Y665-R721 HydrophobicContact CE1-CG 4.47Å; Y665-R721 WeakPolarHBondContact CE1-O 2.97Å; D717-R721 VanDerWaalsContact O-CG 3.29Å; D717-R721 WeakPolarHBondContact O-CG 3.16Å; D717-R721 PolarHBondContact O-N 2.86Å; D717-R721 IonicContact OD1-NE 3.92Å; D717-R721 PolarHBondContact OD1-NE 3.37Å; D717-R721 IonicContact OD1-NH2 3.53Å; D717-R721 IonicContact OD2-CZ 3.8Å; D717-R721 IonicContact OD2-NE 3.04Å; D717-R721 PolarHBondContact OD2-NE 2.84Å; D717-R721 IonicContact OD2-NH2 3.03Å; D717-R721 PolarHBondContact OD2-NH2 2.79Å; L718-R721 PolarHBondContact O-N 2.87Å; R721-A724 PolarHBondContact O-N 3.27Å; R721-G725 PolarHBondContact O-N 2.85Å
722	V	95.8	Very high	93.1	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-66.9	-42.9	-178.8	178.9	0	0	0	0	110.5	L670 M679 V686 V690 L718 A724 G725 L726	L670-V722 HydrophobicContact CD1-CG1 3.95Å; L670-V722 HydrophobicContact CD1-CG2 4.23Å; L670-V722 HydrophobicContact CD2-CG2 3.78Å; L670-V722 HydrophobicContact CG-CG1 4.24Å; L670-V722 HydrophobicContact CG-CG2 3.6Å; M679-V722 HydrophobicContact CE-CG1 3.65Å; M679-V722 HydrophobicContact SD-CG1 3.59Å; M679-V722 VanDerWaalsContact SD-CG1 3.59Å; V686-V722 HydrophobicContact CG1-CB 3.81Å; V686-V722 HydrophobicContact CG1-CG1 3.69Å; V690-V722 HydrophobicContact CG2-CB 4.49Å; V690-V722 HydrophobicContact CG2-CG2 4.27Å; L718-V722 HydrophobicContact CD1-CG2 3.92Å; L718-V722 HydrophobicContact CG-CG2 4.42Å; L718-V722 WeakPolarHBondContact O-CB 3.29Å; L718-V722 VanDerWaalsContact O-CG2 3.25Å; L718-V722 WeakPolarHBondContact O-CG2 3.38Å; L718-V722 PolarHBondContact O-N 2.83Å; V722-A724 VanDerWaalsContact C-N 3.32Å; V722-A724 PolarHBondContact O-N 2.84Å; V722-G725 PolarHBondContact O-N 2.88Å; V722-L726 WeakPolarHBondContact O-CB 3.46Å; V722-L726 PolarHBondContact O-N 2.83Å
723	S	95.2	Very high	92.9	Very high	40 Å²	40	44.2 Å²	44.2	28%	0.28	22%	0.218	S	C	.	.	H	α-helix	trans	-56.7	-45.7	173.4	-66.1	0	0	0	0	111.9	V686 C719 L726 L727	V686-S723 WeakPolarHBondContact CG1-OG 2.81Å; C719-S723 WeakPolarHBondContact O-CB 3.32Å; C719-S723 PolarHBondContact O-N 3.4Å; C719-S723 PolarHBondContact O-OG 3.4Å; S723-L726 PolarHBondContact O-N 3.38Å; S723-L727 VanDerWaalsContact O-CB 3.27Å; S723-L727 WeakPolarHBondContact O-CB 3.4Å; S723-L727 VanDerWaalsContact O-CG 3.26Å; S723-L727 WeakPolarHBondContact O-CG 3.3Å; S723-L727 PolarHBondContact O-N 2.84Å
724	A	95	Very high	92	Very high	8 Å²	8	43.7 Å²	43.7	7%	0.066	21%	0.214	C	C	.	.	H	α-helix	trans	-64.3	-43.6	178.9	0	0	0	0	0	112.2	R562 L563 L566 S720 R721 V722 F728	R562-A724 HydrophobicContact CB-CB 3.56Å; R562-A724 HydrophobicContact CG-CB 4.41Å; L563-A724 HydrophobicContact CD2-CB 4.31Å; L563-A724 WeakPolarHBondContact CD2-O 3.44Å; L566-A724 HydrophobicContact CD1-CB 4.47Å; S720-A724 WeakPolarHBondContact O-CB 3.42Å; S720-A724 PolarHBondContact O-N 3.41Å; S720-A724 VanDerWaalsContact O-N 3.13Å; R721-A724 PolarHBondContact O-N 3.27Å; V722-A724 VanDerWaalsContact C-N 3.32Å; V722-A724 PolarHBondContact O-N 2.84Å; A724-F728 VanDerWaalsContact O-CB 3.23Å; A724-F728 WeakPolarHBondContact O-CB 3.47Å; A724-F728 PolarHBondContact O-N 2.87Å
725	G	94.4	Very high	90.4	Very high	0 Å²	0	49 Å²	49	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-63.2	-44.3	176.7	0	0	0	0	0	112.8	R721 V722 F728 A729	R721-G725 PolarHBondContact O-N 2.85Å; V722-G725 PolarHBondContact O-N 2.88Å; G725-F728 PolarHBondContact O-N 3.07Å; G725-A729 WeakPolarHBondContact O-CB 3.47Å; G725-A729 PolarHBondContact O-N 3.41Å
726	L	94.5	Very high	88	Confident	29 Å²	29	54 Å²	54	15%	0.152	25%	0.253	C	S	.	.	H	α-helix	trans	-67.9	-47	179.4	-176.2	64.7	0	0	0	112.2	M679 L680 V686 V722 S723 F728 A729 Y730	M679-L726 HydrophobicContact CB-CD1 4.05Å; M679-L726 HydrophobicContact CB-CD2 4.08Å; M679-L726 HydrophobicContact SD-CD2 4.31Å; L680-L726 HydrophobicContact CD2-CD1 3.92Å; L680-L726 HydrophobicContact CG-CD1 4.49Å; V686-L726 HydrophobicContact CG2-CD2 3.52Å; V722-L726 WeakPolarHBondContact O-CB 3.46Å; V722-L726 PolarHBondContact O-N 2.83Å; S723-L726 PolarHBondContact O-N 3.38Å; L726-F728 VanDerWaalsContact C-N 3.31Å; L726-F728 PolarHBondContact O-N 3.28Å; L726-A729 PolarHBondContact O-N 3.35Å; L726-Y730 WeakPolarHBondContact O-CB 3.41Å; L726-Y730 PolarHBondContact O-N 2.97Å
727	L	93.5	Very high	85.5	Confident	79 Å²	79	51.7 Å²	51.7	41%	0.414	26%	0.255	S	S	.	.	H	α-helix	trans	-59.8	-42.9	175.8	-76.1	168.9	0	0	0	111.3	S723 A729 Y730 F731	S723-L727 VanDerWaalsContact O-CB 3.27Å; S723-L727 WeakPolarHBondContact O-CB 3.4Å; S723-L727 VanDerWaalsContact O-CG 3.26Å; S723-L727 WeakPolarHBondContact O-CG 3.3Å; S723-L727 PolarHBondContact O-N 2.84Å; L727-A729 VanDerWaalsContact C-N 3.35Å; L727-A729 PolarHBondContact O-N 3.18Å; L727-Y730 PolarHBondContact O-N 3.35Å; L727-F731 HydrophobicContact CB-CD2 4.36Å; L727-F731 HydrophobicContact CB-CE2 4.12Å; L727-F731 HydrophobicContact CD2-CE2 4Å; L727-F731 HydrophobicContact CD2-CZ 4.02Å; L727-F731 WeakPolarHBondContact O-CB 3.27Å; L727-F731 WeakPolarHBondContact O-CD2 3.29Å; L727-F731 WeakPolarHBondContact O-CG 3.15Å; L727-F731 PolarHBondContact O-N 3.43Å
728	F	94.5	Very high	83	Confident	4 Å²	4	54.6 Å²	54.6	2%	0.018	27%	0.274	C	S	.	.	H	α-helix	trans	-63.1	-41.5	176.1	-170.1	-101.9	0	0	0	111.8	L541 L563 L566 S567 A570 A658 A724 G725 L726 N732	L541-F728 HydrophobicContact CD1-CD2 3.92Å; L541-F728 HydrophobicContact CD1-CE2 4.47Å; L541-F728 HydrophobicContact CD2-CD2 3.72Å; L541-F728 HydrophobicContact CD2-CE2 3.69Å; L541-F728 HydrophobicContact CG-CD2 4.47Å; L563-F728 HydrophobicContact CD2-CB 4.17Å; L566-F728 HydrophobicContact CB-CD1 4.13Å; L566-F728 HydrophobicContact CB-CD2 3.91Å; L566-F728 HydrophobicContact CB-CE1 4.19Å; L566-F728 HydrophobicContact CB-CE2 4.01Å; L566-F728 HydrophobicContact CB-CG 3.98Å; L566-F728 HydrophobicContact CB-CZ 4.15Å; L566-F728 HydrophobicContact CD1-CB 3.86Å; L566-F728 HydrophobicContact CD1-CD1 4.48Å; L566-F728 HydrophobicContact CD1-CG 4.08Å; S567-F728 WeakPolarHBondContact OG-CE2 3.31Å; A570-F728 HydrophobicContact CB-CE1 4.24Å; A570-F728 HydrophobicContact CB-CZ 3.9Å; A658-F728 HydrophobicContact CB-CE1 4.25Å; A658-F728 HydrophobicContact CB-CZ 4.39Å; A658-F728 WeakPolarHBondContact O-CE1 3.36Å; A724-F728 VanDerWaalsContact O-CB 3.23Å; A724-F728 WeakPolarHBondContact O-CB 3.47Å; A724-F728 PolarHBondContact O-N 2.87Å; G725-F728 PolarHBondContact O-N 3.07Å; L726-F728 VanDerWaalsContact C-N 3.31Å; L726-F728 PolarHBondContact O-N 3.28Å; F728-N732 WeakPolarHBondContact O-CB 3.1Å; F728-N732 PolarHBondContact O-N 3.23Å; F728-N732 PolarHBondContact O-ND2 2.98Å
729	A	92.2	Very high	80.3	Confident	0 Å²	0	57.4 Å²	57.4	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-62.9	-46.8	176	0	0	0	0	0	112	S659 L680 G725 L726 L727 N732 S733	S659-A729 PolarHBondContact OG-O 3.4Å; L680-A729 HydrophobicContact CD2-CB 4.23Å; G725-A729 WeakPolarHBondContact O-CB 3.47Å; G725-A729 PolarHBondContact O-N 3.41Å; L726-A729 PolarHBondContact O-N 3.35Å; L727-A729 VanDerWaalsContact C-N 3.35Å; L727-A729 PolarHBondContact O-N 3.18Å; A729-N732 PolarHBondContact O-N 2.63Å; A729-S733 WeakPolarHBondContact O-CB 3.46Å; A729-S733 PolarHBondContact O-N 3.07Å; A729-S733 PolarHBondContact O-OG 2.99Å
730	Y	91	Very high	77.3	Confident	72 Å²	72	64.8 Å²	64.8	28%	0.282	33%	0.329	S	S	.	.	H	α-helix	trans	-64.5	-50.1	-178.1	-176.4	-96.3	0	0	0	112.8	H682 L726 L727 N732 S733 H734	H682-Y730 AromaticContact CE1-CD2 3.81Å; H682-Y730 AromaticContact CE1-CE2 3.59Å; H682-Y730 AromaticContact NE2-CD2 3.92Å; H682-Y730 AromaticContact NE2-CE2 3.49Å; H682-Y730 WeakPolarHBondContact NE2-CE2 3.41Å; L726-Y730 WeakPolarHBondContact O-CB 3.41Å; L726-Y730 PolarHBondContact O-N 2.97Å; L727-Y730 PolarHBondContact O-N 3.35Å; Y730-N732 PolarHBondContact O-N 3.2Å; Y730-S733 WeakPolarHBondContact CA-OG 3.37Å; Y730-S733 PolarHBondContact O-N 2.97Å; Y730-S733 VanDerWaalsContact O-N 3.1Å; Y730-S733 PolarHBondContact O-OG 3.39Å; Y730-S733 VanDerWaalsContact O-OG 3.06Å; Y730-H734 AromaticContact CD2-CE1 3.6Å; Y730-H734 AromaticContact CD2-ND1 3.36Å; Y730-H734 WeakPolarHBondContact CD2-ND1 3.36Å; Y730-H734 HydrophobicContact CE1-CB 4.39Å; Y730-H734 HydrophobicContact CE2-CB 4.47Å; Y730-H734 AromaticContact CE2-CD2 3.97Å; Y730-H734 AromaticContact CE2-CE1 3.35Å; Y730-H734 WeakPolarHBondContact CE2-CE1 3.24Å; Y730-H734 AromaticContact CE2-CG 3.68Å; Y730-H734 AromaticContact CE2-ND1 3.28Å; Y730-H734 VanDerWaalsContact CE2-ND1 3.28Å; Y730-H734 WeakPolarHBondContact CE2-ND1 3.39Å; Y730-H734 AromaticContact CE2-NE2 3.79Å; Y730-H734 AromaticContact CZ-CG 3.85Å; Y730-H734 AromaticContact CZ-ND1 3.91Å; Y730-H734 PolarHBondContact O-N 2.51Å
731	F	90.8	Very high	74.1	Confident	43 Å²	43	69 Å²	69	19%	0.189	36%	0.357	C	S	.	.	H	α-helix	trans	-67.9	-19.6	-179.6	-66.8	-42.8	0	0	0	113.9	S538 P540 L541 L727	S538-F731 WeakPolarHBondContact CB-O 3.44Å; S538-F731 PolarHBondContact OG-O 3.2Å; P540-F731 HydrophobicContact CB-CD1 3.82Å; P540-F731 HydrophobicContact CB-CE1 3.65Å; P540-F731 HydrophobicContact CB-CG 4.47Å; P540-F731 HydrophobicContact CB-CZ 4.15Å; L541-F731 HydrophobicContact CB-CB 3.8Å; L541-F731 HydrophobicContact CB-CD2 3.96Å; L541-F731 HydrophobicContact CB-CG 4.14Å; L541-F731 HydrophobicContact CD1-CD2 4.06Å; L541-F731 HydrophobicContact CD2-CB 4.4Å; L727-F731 HydrophobicContact CB-CD2 4.36Å; L727-F731 HydrophobicContact CB-CE2 4.12Å; L727-F731 HydrophobicContact CD2-CE2 4Å; L727-F731 HydrophobicContact CD2-CZ 4.02Å; L727-F731 WeakPolarHBondContact O-CB 3.27Å; L727-F731 WeakPolarHBondContact O-CD2 3.29Å; L727-F731 WeakPolarHBondContact O-CG 3.15Å; L727-F731 PolarHBondContact O-N 3.43Å
732	N	88.8	Confident	71.1	Confident	10 Å²	10	69.2 Å²	69.2	5%	0.053	37%	0.374	C	S	.	.	H	α-helix	trans	-88.7	-28.1	172.6	-76.6	-71.5	0	0	0	111.8	L541 N656 A658 S659 F728 A729 Y730	L541-N732 WeakPolarHBondContact CD2-ND2 3.38Å; N656-N732 PolarHBondContact ND2-O 3.32Å; A658-N732 HydrophobicContact CB-CB 4.2Å; S659-N732 WeakPolarHBondContact OG-CB 3.36Å; F728-N732 WeakPolarHBondContact O-CB 3.1Å; F728-N732 PolarHBondContact O-N 3.23Å; F728-N732 PolarHBondContact O-ND2 2.98Å; A729-N732 PolarHBondContact O-N 2.63Å; Y730-N732 PolarHBondContact O-N 3.2Å
733	S	83.1	Confident	67.9	Low	40 Å²	40	77.7 Å²	77.7	28%	0.28	41%	0.413	S	S	.	.	H	α-helix	trans	-83.3	-41	-180	61.7	0	0	0	0	112.9	S659 A729 Y730	S659-S733 PolarHBondContact OG-N 2.89Å; A729-S733 WeakPolarHBondContact O-CB 3.46Å; A729-S733 PolarHBondContact O-N 3.07Å; A729-S733 PolarHBondContact O-OG 2.99Å; Y730-S733 WeakPolarHBondContact CA-OG 3.37Å; Y730-S733 PolarHBondContact O-N 2.97Å; Y730-S733 VanDerWaalsContact O-N 3.1Å; Y730-S733 PolarHBondContact O-OG 3.39Å; Y730-S733 VanDerWaalsContact O-OG 3.06Å
734	H	71.6	Confident	65	Low	83 Å²	83	80.8 Å²	80.8	38%	0.384	43%	0.433	S	S	.	.			trans	-93.2	107.9	179.5	-66.2	75.6	0	0	0	109.9	Y730 E736	Y730-H734 AromaticContact CD2-CE1 3.6Å; Y730-H734 AromaticContact CD2-ND1 3.36Å; Y730-H734 WeakPolarHBondContact CD2-ND1 3.36Å; Y730-H734 HydrophobicContact CE1-CB 4.39Å; Y730-H734 HydrophobicContact CE2-CB 4.47Å; Y730-H734 AromaticContact CE2-CD2 3.97Å; Y730-H734 AromaticContact CE2-CE1 3.35Å; Y730-H734 WeakPolarHBondContact CE2-CE1 3.24Å; Y730-H734 AromaticContact CE2-CG 3.68Å; Y730-H734 AromaticContact CE2-ND1 3.28Å; Y730-H734 VanDerWaalsContact CE2-ND1 3.28Å; Y730-H734 WeakPolarHBondContact CE2-ND1 3.39Å; Y730-H734 AromaticContact CE2-NE2 3.79Å; Y730-H734 AromaticContact CZ-CG 3.85Å; Y730-H734 AromaticContact CZ-ND1 3.91Å; Y730-H734 PolarHBondContact O-N 2.51Å; H734-E736 VanDerWaalsContact C-N 3.3Å; H734-E736 PolarHBondContact O-N 2.88Å; H734-E736 VanDerWaalsContact O-N 3.14Å
735	R	56.2	Low	62.1	Low	202 Å²	202	88.5 Å²	88.5	76%	0.762	47%	0.472	S	S	*	.			trans	-83	75.4	170.7	-67.1	-177.1	-176.5	-162.9	-1.2	109.3	T737	R735-T737 PolarHBondContact O-N 3.24Å
736	E	44.1	Very low	59.1	Low	138 Å²	138	94.5 Å²	94.5	65%	0.645	50%	0.504	S	S	*	.			trans	-78.5	96.5	160.8	-72.4	-173.1	175.2	0	0	107.8	H734 T738	H734-E736 VanDerWaalsContact C-N 3.3Å; H734-E736 PolarHBondContact O-N 2.88Å; H734-E736 VanDerWaalsContact O-N 3.14Å; E736-T738 PolarHBondContact O-N 3.44Å
737	T	40.4	Very low	56	Low	102 Å²	102	100.4 Å²	100.4	63%	0.626	54%	0.536	S	S	*	.			trans	-69.8	122.3	155.8	42.9	0	0	0	0	106.9	R735 S739	R735-T737 PolarHBondContact O-N 3.24Å; T737-S739 PolarHBondContact O-N 3.32Å
738	T	40.8	Very low	53.1	Low	110 Å²	110	102.1 Å²	102.1	68%	0.675	55%	0.549	S	S	*	.			trans	-63.8	57.5	165.7	42.5	0	0	0	0	110.6	E539 E736	E539-T738 PolarHBondContact OE2-OG1 3.32Å; E736-T738 PolarHBondContact O-N 3.44Å
739	S	38.2	Very low	49.9	Very low	81 Å²	81	111 Å²	111	57%	0.566	59%	0.591	S	S	*	*			trans	-107.1	115.5	163.3	62	0	0	0	0	106.8	T737	T737-S739 PolarHBondContact O-N 3.32Å
740	Q	32.8	Very low	46.9	Very low	170 Å²	170	116.7 Å²	116.7	79%	0.794	63%	0.629	S	S	*	*			trans	90.2	59.3	174.5	-50.5	175.6	-5.5	0	0	117
741	C	27.9	Very low	43.9	Very low	139 Å²	139	117.4 Å²	117.4	94%	0.939	65%	0.645	S	S	*	*			trans	-109.5	64.3	131	-75.9	0	0	0	0	108.2
742	S	31.4	Very low	41	Very low	104 Å²	104	124.9 Å²	124.9	73%	0.727	68%	0.68	S	S	*	*			trans	-107.9	57	165.3	59.2	0	0	0	0	108.3
743	E	30	Very low	38.2	Very low	177 Å²	177	129.4 Å²	129.4	83%	0.827	71%	0.709	S	S	*	*	S	Bend	trans	-105.7	122.2	150.1	-77.6	-166.2	162.1	0	0	106.4	L745	E743-L745 PolarHBondContact O-N 3.23Å; E743-L745 VanDerWaalsContact O-N 3.16Å
744	P	34.4	Very low	35.5	Very low	106 Å²	106	134.1 Å²	134.1	69%	0.688	73%	0.731	S	S	*	*			trans	-63.8	120.9	-179.3	25.3	-30	0	0	0	108.1	N746	P744-N746 PolarHBondContact O-N 3.45Å
745	L	32.7	Very low	33.3	Very low	169 Å²	169	137 Å²	137	89%	0.885	76%	0.759	S	S	*	*			trans	-61.7	82.7	158.6	-85	152.1	0	0	0	107.5	E743	E743-L745 PolarHBondContact O-N 3.23Å; E743-L745 VanDerWaalsContact O-N 3.16Å
746	N	32	Very low	31.8	Very low	126 Å²	126	131.8 Å²	131.8	67%	0.674	75%	0.753	S	S	*	*			trans	-68.4	123.7	158.9	-79.8	-13.7	0	0	0	107	P744	P744-N746 PolarHBondContact O-N 3.45Å
747	D	30.5	Very low	30.9	Very low	154 Å²	154	134.5 Å²	134.5	82%	0.824	76%	0.763	S	S	*	*			trans	48.7	77.6	156	-55.9	-25.9	0	0	0	117
748	V	32.1	Very low	30.4	Very low	114 Å²	114	134.7 Å²	134.7	69%	0.691	77%	0.768	S	S	*	*			trans	-129.5	99.7	144.6	-174.8	0	0	0	0	108.4	C750	V748-C750 PolarHBondContact O-N 3.07Å
749	E	27.4	Very low	29.6	Very low	191 Å²	191	137.8 Å²	137.8	89%	0.893	78%	0.779	S	S	*	*			trans	-55.9	88.7	159.4	-76.1	-178.2	142.3	0	0	109	S751	E749-S751 PolarHBondContact O-N 3.21Å
750	C	28	Very low	28.9	Very low	119 Å²	119	139.4 Å²	139.4	80%	0.804	79%	0.785	S	S	*	*			trans	-80	79.3	164.1	-114.6	0	0	0	0	108.1	V748	V748-C750 PolarHBondContact O-N 3.07Å
751	S	28.1	Very low	28.4	Very low	88 Å²	88	136.9 Å²	136.9	62%	0.615	79%	0.786	S	S	*	*			trans	-47.4	137	163	51.7	0	0	0	0	110.6	E749 T753	E749-S751 PolarHBondContact O-N 3.21Å; S751-T753 PolarHBondContact O-N 2.76Å
752	Q	31.6	Very low	28.4	Very low	199 Å²	199	139.6 Å²	139.6	93%	0.93	81%	0.807	S	S	*	*	S	Bend	trans	-66.2	72	176.2	-69.4	-179.4	-19.8	0	0	111.4
753	T	28.7	Very low	28.3	Very low	106 Å²	106	141.4 Å²	141.4	65%	0.65	81%	0.811	S	S	*	*			trans	-161.4	86.5	170.4	32.2	0	0	0	0	109.2	S751	S751-T753 PolarHBondContact O-N 2.76Å
754	N	26.9	Very low	28.2	Very low	139 Å²	139	139.5 Å²	139.5	74%	0.743	81%	0.81	S	S	*	*			trans	-177.2	18.5	146.2	-94.6	-14.5	0	0	0	115.6	S756	N754-S756 PolarHBondContact O-N 2.82Å
755	C	25.7	Very low	27.8	Very low	144 Å²	144	141.4 Å²	141.4	97%	0.973	82%	0.817	S	S	*	*	S	Bend	trans	-78.7	57.2	159.3	-75.3	0	0	0	0	111.1
756	S	24.7	Very low	27.5	Very low	91 Å²	91	139.8 Å²	139.8	64%	0.636	81%	0.813	S	S	*	*	S	Bend	trans	-168.2	81.9	167	57.6	0	0	0	0	109.8	N754	N754-S756 PolarHBondContact O-N 2.82Å
757	K	25.6	Very low	27.3	Very low	196 Å²	196	140.6 Å²	140.6	85%	0.852	82%	0.821	S	S	*	*			trans	156.8	111.9	165.8	-89.9	159.1	-172.4	-174.3	0	104.1
758	S	28.6	Very low	27	Very low	105 Å²	105	139.7 Å²	139.7	73%	0.734	82%	0.821	S	S	*	*				-163.2	110.9	53.5	46.5	0	0	0	0	109.9
759	I	23.9	Very low	26.7	Very low	176 Å²	176	141.6 Å²	141.6	90%	0.903	83%	0.831	S	S	*	*			trans	-97.7	92.7	148.8	-65	171.8	0	0	0	104.1
760	T	24.5	Very low	26.6	Very low	115 Å²	115	137.8 Å²	137.8	71%	0.706	83%	0.826	S	S	*	*			trans	-158.7	114.1	166.2	40.4	0	0	0	0	110.6
761	S	22.7	Very low	26.5	Very low	116 Å²	116	139.3 Å²	139.3	81%	0.811	83%	0.828	S	S	*	*			trans	54	102.8	147.8	67.6	0	0	0	0	120.1
762	S	27.2	Very low	26.4	Very low	197 Å²	197	144 Å²	144	100%	1.378	85%	0.847	S	S	*	*				-170.4	0	102.7	60.6	0	0	0	0	108.5

Retrieved 762 of 762 residues in 346.4 ms (Link to these results)

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