A0A3Q0KTI4_SCHMA Loading...

G_PROTEIN_RECEP_F2_4 domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KTI4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 709 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	38.1	Very low	49.5	Very low	98 Å²	98	103.7 Å²	103.7	48%	0.483	49%	0.494	S	S	.	.				0	-46.5	0	-88.6	173.2	68	0	0	115.1	M3 M4 W5 Y339 I463	M1-M3 PolarHBondContact O-N 3.36Å; M1-M4 PolarHBondContact O-N 3.26Å; M1-M4 VanDerWaalsContact O-N 3.07Å; M1-W5 PolarHBondContact O-N 3.25Å; M1-Y339 WeakPolarHBondContact CB-OH 3.41Å; M1-I463 HydrophobicContact SD-CG2 4.41Å
2	K	35.8	Very low	50.4	Low	120 Å²	120	100.6 Å²	100.6	52%	0.522	48%	0.481	S	S	.	.	H	α-helix	trans	-53.4	-37.3	173.3	-98.3	-172.5	176.8	-175.8	0	113.1	K6 G333 Y339	K2-K6 PolarHBondContact O-N 3.4Å; K2-G333 WeakPolarHBondContact CE-O 3.27Å; K2-Y339 PolarHBondContact N-OH 2.87Å
3	M	38.5	Very low	51.4	Low	140 Å²	140	102.5 Å²	102.5	69%	0.69	49%	0.487	S	S	*	.	H	α-helix	trans	-64.4	-57.4	169	-92.7	-163.9	-174.5	0	0	111.8	M1 W5 K6 Y7	M1-M3 PolarHBondContact O-N 3.36Å; M3-W5 PolarHBondContact O-N 3.37Å; M3-W5 VanDerWaalsContact O-N 3.14Å; M3-K6 WeakPolarHBondContact O-CB 3.37Å; M3-K6 PolarHBondContact O-N 3.33Å; M3-K6 VanDerWaalsContact O-N 3.11Å; M3-Y7 HydrophobicContact CB-CD2 4.21Å; M3-Y7 HydrophobicContact CB-CE2 4.08Å; M3-Y7 HydrophobicContact CG-CE2 4.24Å; M3-Y7 WeakPolarHBondContact O-CD2 3.27Å; M3-Y7 PolarHBondContact O-N 3.27Å; M3-Y7 HydrophobicContact SD-CE2 4.23Å
4	M	40.1	Very low	52.1	Low	110 Å²	110	105.7 Å²	105.7	54%	0.542	49%	0.493	S	S	.	.	H	α-helix	trans	-53.9	-36.7	-179.4	-85.7	-175	76.9	0	0	113.9	M1 Y7 I8	M1-M4 PolarHBondContact O-N 3.26Å; M1-M4 VanDerWaalsContact O-N 3.07Å; M4-Y7 PolarHBondContact O-N 3.34Å; M4-I8 VanDerWaalsContact O-CG1 3.3Å; M4-I8 WeakPolarHBondContact O-CG1 3.38Å; M4-I8 PolarHBondContact O-N 3.22Å
5	W	43.8	Very low	52.4	Low	68 Å²	68	106.9 Å²	106.9	26%	0.258	50%	0.496	S	S	.	.	H	α-helix	trans	-77.7	-34.3	-178.9	-154	38	0	0	0	112.4	M1 M3 Y7 I8 I9 L329 M348	M1-W5 PolarHBondContact O-N 3.25Å; M3-W5 PolarHBondContact O-N 3.37Å; M3-W5 VanDerWaalsContact O-N 3.14Å; W5-Y7 VanDerWaalsContact C-N 3.31Å; W5-I8 PolarHBondContact O-N 3.4Å; W5-I9 HydrophobicContact CD2-CD1 4.29Å; W5-I9 WeakPolarHBondContact O-CB 3.43Å; W5-I9 WeakPolarHBondContact O-CG1 3.48Å; W5-I9 PolarHBondContact O-N 3.12Å; W5-L329 HydrophobicContact CH2-CB 4.37Å; W5-L329 HydrophobicContact CH2-CD2 3.73Å; W5-L329 HydrophobicContact CZ2-CD2 3.94Å; W5-M348 HydrophobicContact CE3-CE 4.09Å; W5-M348 HydrophobicContact CH2-CB 4.47Å; W5-M348 HydrophobicContact CH2-CE 3.78Å; W5-M348 HydrophobicContact CZ2-CE 4.39Å; W5-M348 HydrophobicContact CZ3-CE 3.62Å
6	K	52.3	Low	52.6	Low	162 Å²	162	106.5 Å²	106.5	70%	0.704	50%	0.498	S	S	*	.	H	α-helix	trans	-61.3	-41.4	165	-81.2	-170.8	173.4	-168.9	0	111	K2 M3 S10	K2-K6 PolarHBondContact O-N 3.4Å; M3-K6 WeakPolarHBondContact O-CB 3.37Å; M3-K6 PolarHBondContact O-N 3.33Å; M3-K6 VanDerWaalsContact O-N 3.11Å; K6-S10 WeakPolarHBondContact O-CA 3.39Å; K6-S10 WeakPolarHBondContact O-CB 3.26Å; K6-S10 PolarHBondContact O-N 3.09Å; K6-S10 PolarHBondContact O-OG 3.36Å
7	Y	56.6	Low	52.8	Low	140 Å²	140	105 Å²	105	55%	0.549	49%	0.493	S	S	.	.	H	α-helix	trans	-65.7	-43.9	176.3	-78	-71	0	0	0	111.9	M3 M4 W5 S10 I11	M3-Y7 HydrophobicContact CB-CD2 4.21Å; M3-Y7 HydrophobicContact CB-CE2 4.08Å; M3-Y7 HydrophobicContact CG-CE2 4.24Å; M3-Y7 WeakPolarHBondContact O-CD2 3.27Å; M3-Y7 PolarHBondContact O-N 3.27Å; M3-Y7 HydrophobicContact SD-CE2 4.23Å; M4-Y7 PolarHBondContact O-N 3.34Å; W5-Y7 VanDerWaalsContact C-N 3.31Å; Y7-S10 CarbonylContact O-C 3.6Å; Y7-S10 PolarHBondContact O-N 3.33Å; Y7-I11 WeakPolarHBondContact O-CA 3.46Å; Y7-I11 WeakPolarHBondContact O-CB 3.5Å; Y7-I11 VanDerWaalsContact O-CD1 3.28Å; Y7-I11 WeakPolarHBondContact O-CD1 3.29Å; Y7-I11 WeakPolarHBondContact O-CG1 3.47Å; Y7-I11 PolarHBondContact O-N 3.41Å
8	I	55.1	Low	52.6	Low	63 Å²	63	101.8 Å²	101.8	32%	0.323	48%	0.479	S	S	.	.	H	α-helix	trans	-65.9	-45.4	178.9	-68.6	164	0	0	0	110.7	M4 W5 I11 I12	M4-I8 VanDerWaalsContact O-CG1 3.3Å; M4-I8 WeakPolarHBondContact O-CG1 3.38Å; M4-I8 PolarHBondContact O-N 3.22Å; W5-I8 PolarHBondContact O-N 3.4Å; I8-I11 PolarHBondContact O-N 3.42Å; I8-I12 HydrophobicContact CG2-CD1 3.73Å; I8-I12 HydrophobicContact CG2-CG1 4.39Å; I8-I12 WeakPolarHBondContact O-CB 3.26Å; I8-I12 VanDerWaalsContact O-CG1 3.23Å; I8-I12 WeakPolarHBondContact O-CG1 3.37Å; I8-I12 PolarHBondContact O-N 3.43Å
9	I	60.5	Low	52.6	Low	76 Å²	76	99.3 Å²	99.3	39%	0.39	47%	0.469	S	S	.	.	H	α-helix	trans	-65.7	-44.4	177	-65.6	171.4	0	0	0	110.2	W5 I11 I12 F13	W5-I9 HydrophobicContact CD2-CD1 4.29Å; W5-I9 WeakPolarHBondContact O-CB 3.43Å; W5-I9 WeakPolarHBondContact O-CG1 3.48Å; W5-I9 PolarHBondContact O-N 3.12Å; I9-I11 VanDerWaalsContact C-N 3.31Å; I9-I11 PolarHBondContact O-N 3.35Å; I9-I12 PolarHBondContact O-N 3.4Å; I9-F13 HydrophobicContact CG2-CD2 4.34Å; I9-F13 WeakPolarHBondContact O-CB 3.42Å; I9-F13 PolarHBondContact O-N 2.79Å
10	S	59.6	Low	52.4	Low	74 Å²	74	101.3 Å²	101.3	52%	0.517	48%	0.476	S	S	.	.	H	α-helix	trans	-64.2	-33.9	174.2	-79.5	0	0	0	0	112.1	K6 Y7 Y14	K6-S10 WeakPolarHBondContact O-CA 3.39Å; K6-S10 WeakPolarHBondContact O-CB 3.26Å; K6-S10 PolarHBondContact O-N 3.09Å; K6-S10 PolarHBondContact O-OG 3.36Å; Y7-S10 CarbonylContact O-C 3.6Å; Y7-S10 PolarHBondContact O-N 3.33Å; S10-Y14 WeakPolarHBondContact O-CA 3.41Å; S10-Y14 WeakPolarHBondContact O-CB 3.37Å; S10-Y14 PolarHBondContact O-N 3.15Å
11	I	64.1	Low	51.7	Low	90 Å²	90	99.9 Å²	99.9	46%	0.462	47%	0.472	S	S	.	.	H	α-helix	trans	-71	-41.5	176.2	-74.2	161.6	0	0	0	109.3	Y7 I8 I9 F15	Y7-I11 WeakPolarHBondContact O-CA 3.46Å; Y7-I11 WeakPolarHBondContact O-CB 3.5Å; Y7-I11 VanDerWaalsContact O-CD1 3.28Å; Y7-I11 WeakPolarHBondContact O-CD1 3.29Å; Y7-I11 WeakPolarHBondContact O-CG1 3.47Å; Y7-I11 PolarHBondContact O-N 3.41Å; I8-I11 PolarHBondContact O-N 3.42Å; I9-I11 VanDerWaalsContact C-N 3.31Å; I9-I11 PolarHBondContact O-N 3.35Å; I11-F15 HydrophobicContact CG2-CD2 3.98Å; I11-F15 HydrophobicContact CG2-CE2 4.45Å; I11-F15 VanDerWaalsContact O-CB 3.24Å; I11-F15 WeakPolarHBondContact O-CB 3.39Å; I11-F15 PolarHBondContact O-N 3.33Å
12	I	60.1	Low	52.1	Low	66 Å²	66	98.8 Å²	98.8	34%	0.338	47%	0.467	S	S	.	.	H	α-helix	trans	-66.1	-48.2	175.7	-68.3	166	0	0	0	110	I8 I9 F15 I16	I8-I12 HydrophobicContact CG2-CD1 3.73Å; I8-I12 HydrophobicContact CG2-CG1 4.39Å; I8-I12 WeakPolarHBondContact O-CB 3.26Å; I8-I12 VanDerWaalsContact O-CG1 3.23Å; I8-I12 WeakPolarHBondContact O-CG1 3.37Å; I8-I12 PolarHBondContact O-N 3.43Å; I9-I12 PolarHBondContact O-N 3.4Å; I12-F15 PolarHBondContact O-N 3.44Å; I12-I16 HydrophobicContact CG2-CD1 3.73Å; I12-I16 HydrophobicContact CG2-CG1 4.44Å; I12-I16 WeakPolarHBondContact O-CB 3.33Å; I12-I16 WeakPolarHBondContact O-CG1 3.02Å; I12-I16 PolarHBondContact O-N 3.14Å
13	F	63.6	Low	52.6	Low	126 Å²	126	95.3 Å²	95.3	55%	0.553	46%	0.458	S	S	*	.	H	α-helix	trans	-65.2	-39.1	176.5	-113.5	-86.4	0	0	0	111.8	I9 I16 I17	I9-F13 HydrophobicContact CG2-CD2 4.34Å; I9-F13 WeakPolarHBondContact O-CB 3.42Å; I9-F13 PolarHBondContact O-N 2.79Å; F13-I16 PolarHBondContact O-N 2.92Å; F13-I17 HydrophobicContact CD1-CD1 3.76Å; F13-I17 HydrophobicContact CD1-CG1 4.23Å; F13-I17 HydrophobicContact CE1-CD1 4.41Å; F13-I17 VanDerWaalsContact O-CB 3.24Å; F13-I17 WeakPolarHBondContact O-CB 3.32Å; F13-I17 VanDerWaalsContact O-CG1 3.25Å; F13-I17 WeakPolarHBondContact O-CG1 3.31Å; F13-I17 PolarHBondContact O-N 2.77Å
14	Y	61.1	Low	52.8	Low	147 Å²	147	92.4 Å²	92.4	58%	0.576	45%	0.445	S	S	*	.	H	α-helix	trans	-66.3	-39.9	174.2	-177.4	-99	0	0	0	110.4	S10 N18	S10-Y14 WeakPolarHBondContact O-CA 3.41Å; S10-Y14 WeakPolarHBondContact O-CB 3.37Å; S10-Y14 PolarHBondContact O-N 3.15Å; Y14-N18 WeakPolarHBondContact CE1-ND2 3.43Å; Y14-N18 WeakPolarHBondContact O-CA 3.34Å; Y14-N18 WeakPolarHBondContact O-CB 3.45Å; Y14-N18 PolarHBondContact O-N 2.65Å; Y14-N18 PolarHBondContact OH-ND2 3.37Å
15	F	56.9	Low	52.6	Low	123 Å²	123	92 Å²	92	54%	0.539	45%	0.445	S	S	.	.	H	α-helix	trans	-66.6	-40.9	174	-108.2	-86.6	0	0	0	111.9	I11 I12 N19	I11-F15 HydrophobicContact CG2-CD2 3.98Å; I11-F15 HydrophobicContact CG2-CE2 4.45Å; I11-F15 VanDerWaalsContact O-CB 3.24Å; I11-F15 WeakPolarHBondContact O-CB 3.39Å; I11-F15 PolarHBondContact O-N 3.33Å; I12-F15 PolarHBondContact O-N 3.44Å; F15-N19 WeakPolarHBondContact O-CB 3.39Å; F15-N19 VanDerWaalsContact O-CG 3.23Å; F15-N19 PolarHBondContact O-N 3.22Å
16	I	55.6	Low	52.5	Low	101 Å²	101	92.6 Å²	92.6	52%	0.518	45%	0.452	S	S	.	.	H	α-helix	trans	-66.3	-50.7	177.3	-68.7	166.7	0	0	0	109.7	I12 F13 N19 F20	I12-I16 HydrophobicContact CG2-CD1 3.73Å; I12-I16 HydrophobicContact CG2-CG1 4.44Å; I12-I16 WeakPolarHBondContact O-CB 3.33Å; I12-I16 WeakPolarHBondContact O-CG1 3.02Å; I12-I16 PolarHBondContact O-N 3.14Å; F13-I16 PolarHBondContact O-N 2.92Å; I16-N19 PolarHBondContact O-N 2.99Å; I16-F20 WeakPolarHBondContact O-CB 3.47Å; I16-F20 PolarHBondContact O-N 3.47Å
17	I	55.1	Low	51.8	Low	81 Å²	81	90.8 Å²	90.8	42%	0.415	45%	0.449	S	S	.	.	H	α-helix	trans	-67.3	-44.4	-180	-68.8	173.8	0	0	0	111	F13 F20 N21	F13-I17 HydrophobicContact CD1-CD1 3.76Å; F13-I17 HydrophobicContact CD1-CG1 4.23Å; F13-I17 HydrophobicContact CE1-CD1 4.41Å; F13-I17 VanDerWaalsContact O-CB 3.24Å; F13-I17 WeakPolarHBondContact O-CB 3.32Å; F13-I17 VanDerWaalsContact O-CG1 3.25Å; F13-I17 WeakPolarHBondContact O-CG1 3.31Å; F13-I17 PolarHBondContact O-N 2.77Å; I17-F20 PolarHBondContact O-N 3.15Å; I17-N21 WeakPolarHBondContact CG2-ND2 3.09Å; I17-N21 VanDerWaalsContact O-CB 3.28Å; I17-N21 WeakPolarHBondContact O-CB 3.5Å; I17-N21 PolarHBondContact O-N 3.06Å
18	N	50.3	Low	50.8	Low	47 Å²	47	91.3 Å²	91.3	25%	0.251	46%	0.456	S	S	.	.	H	α-helix	trans	-66.8	-42.7	175.8	-98	8.3	0	0	0	110.7	Y14 F20 N21 I22	Y14-N18 WeakPolarHBondContact CE1-ND2 3.43Å; Y14-N18 WeakPolarHBondContact O-CA 3.34Å; Y14-N18 WeakPolarHBondContact O-CB 3.45Å; Y14-N18 PolarHBondContact O-N 2.65Å; Y14-N18 PolarHBondContact OH-ND2 3.37Å; N18-F20 PolarHBondContact O-N 3.32Å; N18-N21 CarbonylContact O-C 3.55Å; N18-N21 PolarHBondContact O-N 3.43Å; N18-I22 HydrophobicContact CB-CD1 3.97Å; N18-I22 WeakPolarHBondContact O-CA 3.3Å; N18-I22 WeakPolarHBondContact O-CB 3.4Å; N18-I22 WeakPolarHBondContact O-CD1 3.46Å; N18-I22 WeakPolarHBondContact O-CG1 3.33Å; N18-I22 PolarHBondContact O-N 3.13Å
19	N	52.3	Low	49.9	Very low	54 Å²	54	91.5 Å²	91.5	29%	0.289	46%	0.463	S	S	.	.	H	α-helix	trans	-66.4	-31.3	177.3	-75.6	-13.8	0	0	0	111.4	F15 I16 S23	F15-N19 WeakPolarHBondContact O-CB 3.39Å; F15-N19 VanDerWaalsContact O-CG 3.23Å; F15-N19 PolarHBondContact O-N 3.22Å; I16-N19 PolarHBondContact O-N 2.99Å; N19-S23 VanDerWaalsContact O-CB 3.26Å; N19-S23 WeakPolarHBondContact O-CB 3.16Å; N19-S23 PolarHBondContact O-N 3.31Å; N19-S23 PolarHBondContact O-OG 3.21Å
20	F	47.9	Very low	48.6	Very low	139 Å²	139	94.7 Å²	94.7	61%	0.61	48%	0.478	S	S	*	.	H	α-helix	trans	-68.9	-47.7	173.3	-155.8	-97.2	0	0	0	111.7	I16 I17 N18 S23 I24	I16-F20 WeakPolarHBondContact O-CB 3.47Å; I16-F20 PolarHBondContact O-N 3.47Å; I17-F20 PolarHBondContact O-N 3.15Å; N18-F20 PolarHBondContact O-N 3.32Å; F20-S23 WeakPolarHBondContact O-CB 3.4Å; F20-S23 PolarHBondContact O-N 2.8Å; F20-I24 HydrophobicContact CD1-CD1 3.74Å; F20-I24 HydrophobicContact CE1-CD1 3.67Å; F20-I24 WeakPolarHBondContact O-CG1 3.45Å; F20-I24 PolarHBondContact O-N 3.49Å
21	N	39	Very low	47.5	Very low	73 Å²	73	98.2 Å²	98.2	39%	0.39	49%	0.491	S	S	.	.	H	α-helix	trans	-71.6	-31.6	177.6	-75.8	-17.5	0	0	0	112.9	I17 N18 I24 N25	I17-N21 WeakPolarHBondContact CG2-ND2 3.09Å; I17-N21 VanDerWaalsContact O-CB 3.28Å; I17-N21 WeakPolarHBondContact O-CB 3.5Å; I17-N21 PolarHBondContact O-N 3.06Å; N18-N21 CarbonylContact O-C 3.55Å; N18-N21 PolarHBondContact O-N 3.43Å; N21-I24 PolarHBondContact O-N 3.29Å; N21-N25 WeakPolarHBondContact O-CB 3.43Å; N21-N25 VanDerWaalsContact O-CG 3.25Å; N21-N25 PolarHBondContact O-N 3.22Å; N21-N25 PolarHBondContact O-ND2 3.38Å
22	I	46.1	Very low	46.1	Very low	74 Å²	74	100.6 Å²	100.6	38%	0.379	50%	0.504	S	S	.	.	H	α-helix	trans	-70	-38.9	171.6	-71.2	166.1	0	0	0	108	N18 I24 N25 I26	N18-I22 HydrophobicContact CB-CD1 3.97Å; N18-I22 WeakPolarHBondContact O-CA 3.3Å; N18-I22 WeakPolarHBondContact O-CB 3.4Å; N18-I22 WeakPolarHBondContact O-CD1 3.46Å; N18-I22 WeakPolarHBondContact O-CG1 3.33Å; N18-I22 PolarHBondContact O-N 3.13Å; I22-I24 VanDerWaalsContact C-N 3.35Å; I22-I24 PolarHBondContact O-N 3.1Å; I22-N25 PolarHBondContact O-N 2.97Å; I22-I26 HydrophobicContact CG2-CD1 3.29Å; I22-I26 HydrophobicContact CG2-CG1 3.78Å; I22-I26 WeakPolarHBondContact O-CA 3.39Å; I22-I26 WeakPolarHBondContact O-CB 3.46Å; I22-I26 WeakPolarHBondContact O-CG1 3.17Å; I22-I26 PolarHBondContact O-N 2.88Å
23	S	45.4	Very low	44.5	Very low	47 Å²	47	103.8 Å²	103.8	33%	0.329	52%	0.52	S	S	.	.	H	α-helix	trans	-62.8	-42.7	172.6	-60.3	0	0	0	0	111.2	N19 F20 I27	N19-S23 VanDerWaalsContact O-CB 3.26Å; N19-S23 WeakPolarHBondContact O-CB 3.16Å; N19-S23 PolarHBondContact O-N 3.31Å; N19-S23 PolarHBondContact O-OG 3.21Å; F20-S23 WeakPolarHBondContact O-CB 3.4Å; F20-S23 PolarHBondContact O-N 2.8Å; S23-I27 VanDerWaalsContact O-CD1 3.31Å; S23-I27 WeakPolarHBondContact O-CD1 3.38Å; S23-I27 WeakPolarHBondContact O-CG1 3.44Å; S23-I27 PolarHBondContact O-N 2.79Å
24	I	42.7	Very low	43	Very low	79 Å²	79	102.7 Å²	102.7	41%	0.405	52%	0.524	S	S	.	.	H	α-helix	trans	-68.9	-42	177.1	-67.6	170.1	0	0	0	111.9	F20 N21 I22 I27 H28	F20-I24 HydrophobicContact CD1-CD1 3.74Å; F20-I24 HydrophobicContact CE1-CD1 3.67Å; F20-I24 WeakPolarHBondContact O-CG1 3.45Å; F20-I24 PolarHBondContact O-N 3.49Å; N21-I24 PolarHBondContact O-N 3.29Å; I22-I24 VanDerWaalsContact C-N 3.35Å; I22-I24 PolarHBondContact O-N 3.1Å; I24-I27 WeakPolarHBondContact O-CB 3.43Å; I24-I27 PolarHBondContact O-N 3.43Å; I24-H28 PolarHBondContact O-N 3.17Å
25	N	36	Very low	41.7	Very low	101 Å²	101	103.7 Å²	103.7	54%	0.54	54%	0.537	S	S	.	.	H	α-helix	trans	-77.7	-30.8	-179.1	-74.6	-17.5	0	0	0	112.5	N21 I22 I27 H28 S29	N21-N25 WeakPolarHBondContact O-CB 3.43Å; N21-N25 VanDerWaalsContact O-CG 3.25Å; N21-N25 PolarHBondContact O-N 3.22Å; N21-N25 PolarHBondContact O-ND2 3.38Å; I22-N25 PolarHBondContact O-N 2.97Å; N25-I27 VanDerWaalsContact C-N 3.28Å; N25-H28 CarbonylContact O-C 3.56Å; N25-H28 PolarHBondContact O-N 3.16Å; N25-H28 VanDerWaalsContact O-N 3.13Å; N25-S29 VanDerWaalsContact O-CB 3.3Å; N25-S29 WeakPolarHBondContact O-CB 3.38Å; N25-S29 PolarHBondContact O-N 3.26Å; N25-S29 PolarHBondContact O-OG 3.15Å
26	I	41.5	Very low	40.6	Very low	81 Å²	81	104.9 Å²	104.9	42%	0.415	55%	0.549	S	S	.	.	H	α-helix	trans	-64.2	-38	170.7	-74.6	176.9	0	0	0	109.4	I22 H28 S29 M30	I22-I26 HydrophobicContact CG2-CD1 3.29Å; I22-I26 HydrophobicContact CG2-CG1 3.78Å; I22-I26 WeakPolarHBondContact O-CA 3.39Å; I22-I26 WeakPolarHBondContact O-CB 3.46Å; I22-I26 WeakPolarHBondContact O-CG1 3.17Å; I22-I26 PolarHBondContact O-N 2.88Å; I26-H28 PolarHBondContact O-N 3.41Å; I26-S29 PolarHBondContact O-N 3.06Å; I26-M30 HydrophobicContact CG2-CG 3.8Å; I26-M30 HydrophobicContact CG2-SD 4.04Å; I26-M30 VanDerWaalsContact O-CB 3.25Å; I26-M30 WeakPolarHBondContact O-CB 3.43Å; I26-M30 WeakPolarHBondContact O-CG 3.36Å; I26-M30 PolarHBondContact O-N 3.22Å
27	I	39.5	Very low	39.4	Very low	125 Å²	125	108.3 Å²	108.3	64%	0.641	56%	0.563	S	S	*	*	H	α-helix	trans	-60.5	-38.3	172.7	-68.3	162.5	0	0	0	110.5	S23 I24 N25	S23-I27 VanDerWaalsContact O-CD1 3.31Å; S23-I27 WeakPolarHBondContact O-CD1 3.38Å; S23-I27 WeakPolarHBondContact O-CG1 3.44Å; S23-I27 PolarHBondContact O-N 2.79Å; I24-I27 WeakPolarHBondContact O-CB 3.43Å; I24-I27 PolarHBondContact O-N 3.43Å; N25-I27 VanDerWaalsContact C-N 3.28Å
28	H	34.7	Very low	38.3	Very low	150 Å²	150	111.2 Å²	111.2	69%	0.694	58%	0.579	S	S	*	*	H	α-helix	trans	-85.3	-24.7	-179.4	-113.6	-66.5	0	0	0	115.3	I24 N25 I26	I24-H28 PolarHBondContact O-N 3.17Å; N25-H28 CarbonylContact O-C 3.56Å; N25-H28 PolarHBondContact O-N 3.16Å; N25-H28 VanDerWaalsContact O-N 3.13Å; I26-H28 PolarHBondContact O-N 3.41Å
29	S	35.8	Very low	37.6	Very low	68 Å²	68	113 Å²	113	48%	0.476	59%	0.594	S	S	.	*	H	α-helix	trans	-101	-20.1	-176.3	71.9	0	0	0	0	114.1	N25 I26 D31 I32 I33	N25-S29 VanDerWaalsContact O-CB 3.3Å; N25-S29 WeakPolarHBondContact O-CB 3.38Å; N25-S29 PolarHBondContact O-N 3.26Å; N25-S29 PolarHBondContact O-OG 3.15Å; I26-S29 PolarHBondContact O-N 3.06Å; S29-D31 PolarHBondContact O-N 2.86Å; S29-I32 PolarHBondContact O-N 3.27Å; S29-I33 PolarHBondContact O-N 3.38Å
30	M	33.2	Very low	37.1	Very low	143 Å²	143	119.2 Å²	119.2	70%	0.704	62%	0.619	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.9	-20.4	175	-84.8	-151.1	124.7	0	0	113.5	I26 I32	I26-M30 HydrophobicContact CG2-CG 3.8Å; I26-M30 HydrophobicContact CG2-SD 4.04Å; I26-M30 VanDerWaalsContact O-CB 3.25Å; I26-M30 WeakPolarHBondContact O-CB 3.43Å; I26-M30 WeakPolarHBondContact O-CG 3.36Å; I26-M30 PolarHBondContact O-N 3.22Å; M30-I32 VanDerWaalsContact C-N 3.27Å; M30-I32 PolarHBondContact O-N 2.88Å
31	D	37.8	Very low	37.4	Very low	147 Å²	147	120.5 Å²	120.5	79%	0.786	63%	0.627	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75	-13.7	175.7	-77.2	-13.4	0	0	0	113.4	S29	S29-D31 PolarHBondContact O-N 2.86Å
32	I	32.9	Very low	38.5	Very low	141 Å²	141	118.3 Å²	118.3	72%	0.723	62%	0.615	S	S	*	*	T	Hydrogen-bonded Turn	trans	-121.9	-25.7	-168	-57.4	-177	0	0	0	115.4	S29 M30	S29-I32 PolarHBondContact O-N 3.27Å; M30-I32 VanDerWaalsContact C-N 3.27Å; M30-I32 PolarHBondContact O-N 2.88Å
33	I	28	Very low	39.4	Very low	132 Å²	132	117.9 Å²	117.9	68%	0.677	62%	0.616	S	S	*	*	S	Bend	trans	-141.7	87.3	-175.3	-48.4	178.9	0	0	0	112.6	S29	S29-I33 PolarHBondContact O-N 3.38Å
34	T	31.9	Very low	40.5	Very low	104 Å²	104	115.8 Å²	115.8	64%	0.638	60%	0.601	S	S	*	*				172.5	78.3	126	23.8	0	0	0	0	111.6
35	I	34.2	Very low	41.3	Very low	167 Å²	167	115.5 Å²	115.5	86%	0.856	60%	0.601	S	S	*	*	S	Bend	trans	-74.6	-11.7	162.8	-74.9	173.1	0	0	0	111.8
36	N	32.2	Very low	42.4	Very low	149 Å²	149	112 Å²	112	80%	0.797	58%	0.584	S	S	*	*	S	Bend	trans	-110.1	8.9	-166.1	-81.4	-4.7	0	0	0	118.1
37	Q	30.5	Very low	42.9	Very low	172 Å²	172	111.1 Å²	111.1	80%	0.804	58%	0.58	S	S	*	*			trans	-139.4	56.9	172.8	-69.6	-170.4	-18	0	0	111.9	S39	Q37-S39 PolarHBondContact O-N 3.29Å
38	L	31.7	Very low	43.5	Very low	143 Å²	143	109.6 Å²	109.6	75%	0.749	57%	0.572	S	S	*	*			trans	-68.4	112	174.5	-153.3	77.8	0	0	0	109.5	K40	L38-K40 PolarHBondContact O-N 3.43Å
39	S	36.6	Very low	44.5	Very low	83 Å²	83	104.3 Å²	104.3	58%	0.58	55%	0.554	S	S	*	*			trans	-62.3	130.4	177	62.5	0	0	0	0	111	Q37 H41	Q37-S39 PolarHBondContact O-N 3.29Å; S39-H41 VanDerWaalsContact C-N 3.25Å; S39-H41 PolarHBondContact O-N 2.93Å
40	K	41.9	Very low	45.9	Very low	186 Å²	186	109.3 Å²	109.3	81%	0.809	57%	0.568	S	S	*	*	S	Bend	trans	-72.5	24.4	-164.2	-127.2	177.3	-174.1	-178.9	0	117.4	L38	L38-K40 PolarHBondContact O-N 3.43Å
41	H	53.4	Low	47.8	Very low	165 Å²	165	102.8 Å²	102.8	76%	0.764	54%	0.536	S	S	*	.			trans	-130.9	31.5	-169.3	-74.1	-32.6	0	0	0	115.9	S39	S39-H41 VanDerWaalsContact C-N 3.25Å; S39-H41 PolarHBondContact O-N 2.93Å
42	D	61.6	Low	49.8	Very low	28 Å²	28	99.1 Å²	99.1	15%	0.15	51%	0.512	C	S	.	.			trans	-84.5	118.9	170	-57.3	-41.1	0	0	0	109.5	C51 C64 S65	D42-C51 HydrophobicContact CB-CB 4.36Å; D42-C51 WeakPolarHBondContact CB-SG 3.5Å; D42-C64 HydrophobicContact CB-CB 4.43Å; D42-C64 WeakPolarHBondContact O-CB 3.38Å; D42-S65 WeakPolarHBondContact O-CB 3.21Å; D42-S65 PolarHBondContact O-N 3.18Å; D42-S65 PolarHBondContact O-OG 2.88Å
43	T	65.5	Low	51.9	Low	65 Å²	65	92.4 Å²	92.4	40%	0.399	48%	0.477	S	S	.	.			trans	-111.1	154.6	-179.6	56.5	0	0	0	0	111.6	N45 S46 D66	T43-N45 PolarHBondContact O-N 2.91Å; T43-S46 VanDerWaalsContact O-CB 3.24Å; T43-S46 WeakPolarHBondContact O-CB 3.46Å; T43-S46 PolarHBondContact O-N 3.34Å; T43-D66 WeakPolarHBondContact CA-OD1 3.47Å; T43-D66 WeakPolarHBondContact CB-OD2 3.4Å
44	C	69.5	Low	54.3	Low	3 Å²	3	86.4 Å²	86.4	2%	0.02	45%	0.447	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65	-21.1	-175.8	-68.8	0	0	0	0	113.8	S46 C53 D66 S244 Y245	C44-S46 VanDerWaalsContact C-N 3.27Å; C44-S46 PolarHBondContact O-N 3.24Å; C44-C53 WeakPolarHBondContact CA-SG 3.47Å; C44-C53 HydrophobicContact CB-CB 3.69Å; C44-C53 WeakPolarHBondContact CB-SG 3.16Å; C44-C53 WeakPolarHBondContact SG-CB 3.43Å; C44-C53 CovalentContact SG-SG 2.03Å; C44-C53 PolarHBondContact SG-SG 3.34Å; C44-D66 PolarHBondContact N-OD1 3.45Å; C44-D66 PolarHBondContact N-OD2 3.05Å; C44-D66 PolarHBondContact SG-OD1 2.86Å; C44-S244 WeakPolarHBondContact O-CB 3.45Å; C44-S244 PolarHBondContact O-OG 3.46Å; C44-Y245 HydrophobicContact CB-CE2 3.97Å; C44-Y245 WeakPolarHBondContact CB-OH 3.34Å; C44-Y245 WeakPolarHBondContact O-CE2 3.16Å
45	N	58.8	Low	56.2	Low	73 Å²	73	83 Å²	83	39%	0.39	42%	0.423	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.7	17.8	175.4	-64.4	-31.6	0	0	0	113.1	T43 L47 K216	T43-N45 PolarHBondContact O-N 2.91Å; N45-L47 PolarHBondContact O-N 2.85Å; N45-K216 VanDerWaalsContact CG-NZ 3.3Å; N45-K216 PolarHBondContact ND2-NZ 3.21Å; N45-K216 PolarHBondContact OD1-NZ 2.85Å
46	S	59	Low	58.1	Low	27 Å²	27	76.1 Å²	76.1	19%	0.189	39%	0.388	C	S	.	.			trans	-72.7	125.1	180	-172.5	0	0	0	0	112.7	T43 C44 L48 S244	T43-S46 VanDerWaalsContact O-CB 3.24Å; T43-S46 WeakPolarHBondContact O-CB 3.46Å; T43-S46 PolarHBondContact O-N 3.34Å; C44-S46 VanDerWaalsContact C-N 3.27Å; C44-S46 PolarHBondContact O-N 3.24Å; S46-L48 VanDerWaalsContact C-N 3.26Å; S46-L48 VanDerWaalsContact OG-C 3.27Å; S46-L48 PolarHBondContact OG-N 3.28Å; S46-L48 VanDerWaalsContact OG-N 3.1Å; S46-L48 PolarHBondContact OG-O 3.43Å; S46-S244 PolarHBondContact O-OG 2.96Å
47	L	52.5	Low	60.3	Low	63 Å²	63	69 Å²	69	33%	0.33	35%	0.35	S	S	.	.	S	Bend	trans	-73.1	-18.2	165.9	-73.7	175.7	0	0	0	112.8	N45 P243 Y489 P490 P529	N45-L47 PolarHBondContact O-N 2.85Å; L47-P243 WeakPolarHBondContact O-CG 3.39Å; L47-Y489 HydrophobicContact CD1-CE1 4.41Å; L47-P490 HydrophobicContact CD1-CB 3.63Å; L47-P490 HydrophobicContact CG-CB 4.41Å; L47-P529 HydrophobicContact CD1-CB 4.33Å
48	L	51.7	Low	62.3	Low	93 Å²	93	64.5 Å²	64.5	49%	0.487	33%	0.334	S	S	.	.	S	Bend	trans	-104.7	90	172	-75.9	92.5	0	0	0	107.8	S46 K50 Y489	S46-L48 VanDerWaalsContact C-N 3.26Å; S46-L48 VanDerWaalsContact OG-C 3.27Å; S46-L48 PolarHBondContact OG-N 3.28Å; S46-L48 VanDerWaalsContact OG-N 3.1Å; S46-L48 PolarHBondContact OG-O 3.43Å; L48-K50 PolarHBondContact O-N 3.43Å; L48-Y489 HydrophobicContact CD1-CE1 3.98Å
49	A	55.4	Low	64.3	Low	38 Å²	38	65.6 Å²	65.6	31%	0.314	33%	0.333	S	S	.	.			trans	-74.5	115.2	178.4	0	0	0	0	0	110.9	P243	A49-P243 HydrophobicContact CB-CB 3.54Å
50	K	64.6	Low	66.2	Low	173 Å²	173	67.2 Å²	67.2	75%	0.752	33%	0.33	S	S	*	.	S	Bend	trans	-104.3	-9.4	157.5	-65.5	-177.3	179.5	-179.8	0	112.2	L48	L48-K50 PolarHBondContact O-N 3.43Å
51	C	74.3	Confident	67.7	Low	6 Å²	6	63.7 Å²	63.7	4%	0.041	33%	0.328	C	S	.	.	S	Bend	trans	-138.8	164.4	-178.5	60.6	0	0	0	0	109.2	D42 D62 C64	D42-C51 HydrophobicContact CB-CB 4.36Å; D42-C51 WeakPolarHBondContact CB-SG 3.5Å; C51-D62 CarbonylContact C-O 3.53Å; C51-D62 WeakPolarHBondContact CA-O 3.24Å; C51-D62 VanDerWaalsContact CB-O 3.28Å; C51-D62 WeakPolarHBondContact CB-O 3.4Å; C51-C64 HydrophobicContact CB-CB 4.14Å; C51-C64 WeakPolarHBondContact CB-SG 3.45Å; C51-C64 VanDerWaalsContact SG-CA 3.56Å; C51-C64 WeakPolarHBondContact SG-CB 3.48Å; C51-C64 CovalentContact SG-SG 2.04Å; C51-C64 PolarHBondContact SG-SG 3.46Å
52	Y	79.7	Confident	69	Low	71 Å²	71	57.8 Å²	57.8	28%	0.278	30%	0.302	S	S	.	.	B	Isolated β-bridge	trans	-116.1	142.7	173.4	-66.3	-80.8	0	0	0	110.6	C57 D62 C63 S244 R247	Y52-C57 WeakPolarHBondContact O-CB 3.44Å; Y52-D62 VanDerWaalsContact CD2-OD2 3.27Å; Y52-D62 WeakPolarHBondContact CD2-OD2 3.45Å; Y52-D62 PolarHBondContact N-O 3.36Å; Y52-C63 WeakPolarHBondContact O-CA 3.47Å; Y52-S244 CarbonylContact C-O 3.56Å; Y52-S244 VanDerWaalsContact CA-O 3.25Å; Y52-S244 WeakPolarHBondContact CA-O 3.36Å; Y52-R247 VanDerWaalsContact CB-NH2 3.3Å; Y52-R247 HydrophobicContact CD1-CB 3.74Å; Y52-R247 HydrophobicContact CD1-CG 4.15Å; Y52-R247 VanDerWaalsContact CD2-NH1 3.29Å; Y52-R247 HydrophobicContact CE1-CB 3.92Å; Y52-R247 HydrophobicContact CE1-CG 4.13Å; Y52-R247 HydrophobicContact CG-CB 4.38Å; Y52-R247 HydrophobicContact CG-CG 4.47Å
53	C	77.8	Confident	69.8	Low	0 Å²	0	57.9 Å²	57.9	0%	0	31%	0.305	C	S	.	.			trans	-109.5	43.6	178.1	-83.4	0	0	0	0	112.2	C44 C64 Y67 S244 Y245	C44-C53 WeakPolarHBondContact CA-SG 3.47Å; C44-C53 HydrophobicContact CB-CB 3.69Å; C44-C53 WeakPolarHBondContact CB-SG 3.16Å; C44-C53 WeakPolarHBondContact SG-CB 3.43Å; C44-C53 CovalentContact SG-SG 2.03Å; C44-C53 PolarHBondContact SG-SG 3.34Å; C53-C64 WeakPolarHBondContact SG-CB 3.45Å; C53-C64 PolarHBondContact SG-SG 3.25Å; C53-Y67 HydrophobicContact CB-CD2 4.38Å; C53-S244 PolarHBondContact N-O 3.01Å; C53-Y245 HydrophobicContact CB-CD1 4.03Å; C53-Y245 HydrophobicContact CB-CE1 3.7Å; C53-Y245 WeakPolarHBondContact O-CD1 3.46Å; C53-Y245 WeakPolarHBondContact O-CE1 3.27Å
54	D	76.5	Confident	70.4	Confident	6 Å²	6	54.9 Å²	54.9	3%	0.032	29%	0.287	C	S	.	.	S	Bend	trans	-110	169.8	178	68.4	-10.1	0	0	0	111.5	L56 C57 Y67 I186 R247	D54-L56 PolarHBondContact O-N 3.11Å; D54-L56 VanDerWaalsContact O-N 3.12Å; D54-C57 VanDerWaalsContact O-CB 3.22Å; D54-C57 WeakPolarHBondContact O-CB 3.27Å; D54-C57 PolarHBondContact O-N 3.32Å; D54-C57 PolarHBondContact O-SG 3.39Å; D54-C57 PolarHBondContact OD1-N 3.03Å; D54-Y67 PolarHBondContact O-OH 3.41Å; D54-I186 HydrophobicContact CB-CD1 3.99Å; D54-R247 VanDerWaalsContact CG-NE 3.34Å; D54-R247 IonicContact OD1-CZ 2.78Å; D54-R247 IonicContact OD1-NE 3.82Å; D54-R247 PolarHBondContact OD1-NE 3.37Å; D54-R247 IonicContact OD1-NH2 3.33Å; D54-R247 PolarHBondContact OD1-NH2 3.03Å; D54-R247 WeakPolarHBondContact OD2-CB 3.16Å; D54-R247 VanDerWaalsContact OD2-CD 3.27Å; D54-R247 WeakPolarHBondContact OD2-CD 3.43Å; D54-R247 IonicContact OD2-CZ 2.7Å; D54-R247 IonicContact OD2-NE 3.19Å; D54-R247 PolarHBondContact OD2-NE 3.44Å; D54-R247 IonicContact OD2-NH2 3.59Å
55	E	72.9	Confident	70.5	Confident	32 Å²	32	58.2 Å²	58.2	15%	0.15	31%	0.31	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-19	178.7	62.1	-177.2	-165.6	0	0	113.7	C57 Y67 T82 R185	E55-C57 VanDerWaalsContact C-N 3.3Å; E55-Y67 WeakPolarHBondContact CA-OH 3.39Å; E55-T82 HydrophobicContact CG-CG2 4.48Å; E55-T82 WeakPolarHBondContact OE1-CG2 3.45Å; E55-R185 IonicContact OE2-NE 2.87Å; E55-R185 PolarHBondContact OE2-NE 3.48Å
56	L	74.9	Confident	71	Confident	23 Å²	23	58 Å²	58	12%	0.12	31%	0.309	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.2	-13.6	173.4	-60.8	177.1	0	0	0	112.6	D54 T58 K59 K60 Y109	D54-L56 PolarHBondContact O-N 3.11Å; D54-L56 VanDerWaalsContact O-N 3.12Å; L56-T58 VanDerWaalsContact C-N 3.31Å; L56-T58 PolarHBondContact O-N 3.1Å; L56-K59 WeakPolarHBondContact O-CB 3.48Å; L56-K59 PolarHBondContact O-N 3.09Å; L56-K59 VanDerWaalsContact O-N 3.12Å; L56-K60 PolarHBondContact O-N 2.93Å; L56-Y109 HydrophobicContact CD1-CD1 4.23Å; L56-Y109 HydrophobicContact CD1-CD2 4.24Å; L56-Y109 HydrophobicContact CD1-CG 4.05Å
57	C	78.5	Confident	71.5	Confident	0 Å²	0	57 Å²	57	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-63.6	-38.6	-172.4	83	0	0	0	0	112.4	Y52 D54 E55 K59 K60 S61 D62 C63 Y67	Y52-C57 WeakPolarHBondContact O-CB 3.44Å; D54-C57 VanDerWaalsContact O-CB 3.22Å; D54-C57 WeakPolarHBondContact O-CB 3.27Å; D54-C57 PolarHBondContact O-N 3.32Å; D54-C57 PolarHBondContact O-SG 3.39Å; D54-C57 PolarHBondContact OD1-N 3.03Å; E55-C57 VanDerWaalsContact C-N 3.3Å; C57-K59 VanDerWaalsContact C-N 3.32Å; C57-K59 PolarHBondContact O-N 2.99Å; C57-K60 CarbonylContact O-C 3.53Å; C57-K60 PolarHBondContact O-N 3.48Å; C57-S61 WeakPolarHBondContact O-CA 3.28Å; C57-S61 PolarHBondContact O-N 3.46Å; C57-D62 WeakPolarHBondContact CA-OD1 3.47Å; C57-D62 PolarHBondContact O-N 3.07Å; C57-D62 VanDerWaalsContact O-N 3.08Å; C57-C63 HydrophobicContact CB-CB 3.91Å; C57-C63 WeakPolarHBondContact CB-SG 3.47Å; C57-C63 PolarHBondContact O-SG 3.15Å; C57-C63 VanDerWaalsContact SG-CA 3.52Å; C57-C63 WeakPolarHBondContact SG-CB 3.44Å; C57-C63 CovalentContact SG-SG 2.06Å; C57-C63 PolarHBondContact SG-SG 3.12Å; C57-Y67 VanDerWaalsContact SG-CD1 3.52Å; C57-Y67 WeakPolarHBondContact SG-CE1 3.5Å
58	T	71.9	Confident	71.8	Confident	76 Å²	76	57.5 Å²	57.5	47%	0.466	31%	0.308	S	S	.	.	H	α-helix	trans	-67.1	-39.6	178.1	-49.4	0	0	0	0	110.1	L56 K60 S61 C63	L56-T58 VanDerWaalsContact C-N 3.31Å; L56-T58 PolarHBondContact O-N 3.1Å; T58-K60 VanDerWaalsContact C-N 3.33Å; T58-K60 PolarHBondContact O-N 2.93Å; T58-S61 PolarHBondContact O-N 2.93Å; T58-C63 PolarHBondContact N-SG 2.73Å
59	K	73	Confident	72	Confident	166 Å²	166	55.4 Å²	55.4	72%	0.722	30%	0.297	S	S	*	.	H	α-helix	trans	-66.1	-35.4	177.6	-175	178.4	179.4	179.3	0	112.1	L56 C57	L56-K59 WeakPolarHBondContact O-CB 3.48Å; L56-K59 PolarHBondContact O-N 3.09Å; L56-K59 VanDerWaalsContact O-N 3.12Å; C57-K59 VanDerWaalsContact C-N 3.32Å; C57-K59 PolarHBondContact O-N 2.99Å
60	K	76	Confident	71.6	Confident	117 Å²	117	62 Å²	62	51%	0.509	32%	0.315	S	S	.	.	H	α-helix	trans	-96.2	-1.7	-179.3	-71.2	-169.6	171.8	-170.3	0	114.3	L56 C57 T58 D62	L56-K60 PolarHBondContact O-N 2.93Å; C57-K60 CarbonylContact O-C 3.53Å; C57-K60 PolarHBondContact O-N 3.48Å; T58-K60 VanDerWaalsContact C-N 3.33Å; T58-K60 PolarHBondContact O-N 2.93Å; K60-D62 VanDerWaalsContact C-N 3.3Å; K60-D62 PolarHBondContact O-N 3.46Å
61	S	74.1	Confident	70.8	Confident	112 Å²	112	59.9 Å²	59.9	78%	0.783	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.8	37.8	-178.2	-57.2	0	0	0	0	114.1	C57 T58	C57-S61 WeakPolarHBondContact O-CA 3.28Å; C57-S61 PolarHBondContact O-N 3.46Å; T58-S61 PolarHBondContact O-N 2.93Å
62	D	81.8	Confident	69.4	Low	41 Å²	41	66.2 Å²	66.2	22%	0.219	35%	0.345	C	S	.	.			trans	-127.8	31.6	-177.5	62.7	-3.1	0	0	0	113	C51 Y52 C57 K60 R247	C51-D62 CarbonylContact C-O 3.53Å; C51-D62 WeakPolarHBondContact CA-O 3.24Å; C51-D62 VanDerWaalsContact CB-O 3.28Å; C51-D62 WeakPolarHBondContact CB-O 3.4Å; Y52-D62 VanDerWaalsContact CD2-OD2 3.27Å; Y52-D62 WeakPolarHBondContact CD2-OD2 3.45Å; Y52-D62 PolarHBondContact N-O 3.36Å; C57-D62 WeakPolarHBondContact CA-OD1 3.47Å; C57-D62 PolarHBondContact O-N 3.07Å; C57-D62 VanDerWaalsContact O-N 3.08Å; K60-D62 VanDerWaalsContact C-N 3.3Å; K60-D62 PolarHBondContact O-N 3.46Å; D62-R247 VanDerWaalsContact CG-NH2 3.33Å; D62-R247 IonicContact OD1-CZ 3.84Å; D62-R247 IonicContact OD1-NH1 3.69Å; D62-R247 IonicContact OD1-NH2 2.75Å; D62-R247 PolarHBondContact OD1-NH2 3.34Å; D62-R247 IonicContact OD2-CZ 2.7Å; D62-R247 IonicContact OD2-NH1 3.74Å; D62-R247 PolarHBondContact OD2-NH1 2.93Å; D62-R247 IonicContact OD2-NH2 3.63Å; D62-R247 PolarHBondContact OD2-NH2 3.22Å; D62-R247 VanDerWaalsContact OD2-NH2 3.11Å
63	C	78	Confident	67.6	Low	30 Å²	30	67.5 Å²	67.5	20%	0.203	37%	0.365	C	S	.	.	B	Isolated β-bridge	trans	-72.2	149.9	-179.2	-65.1	0	0	0	0	114.5	Y52 C57 T58 Y67	Y52-C63 WeakPolarHBondContact O-CA 3.47Å; C57-C63 HydrophobicContact CB-CB 3.91Å; C57-C63 WeakPolarHBondContact CB-SG 3.47Å; C57-C63 PolarHBondContact O-SG 3.15Å; C57-C63 VanDerWaalsContact SG-CA 3.52Å; C57-C63 WeakPolarHBondContact SG-CB 3.44Å; C57-C63 CovalentContact SG-SG 2.06Å; C57-C63 PolarHBondContact SG-SG 3.12Å; T58-C63 PolarHBondContact N-SG 2.73Å; C63-Y67 HydrophobicContact CB-CD1 4.4Å
64	C	78	Confident	65.9	Low	3 Å²	3	74.7 Å²	74.7	2%	0.02	40%	0.397	C	S	.	.			trans	-83	162.6	167.1	-44.6	0	0	0	0	112.3	D42 C51 C53 D66 Y67	D42-C64 HydrophobicContact CB-CB 4.43Å; D42-C64 WeakPolarHBondContact O-CB 3.38Å; C51-C64 HydrophobicContact CB-CB 4.14Å; C51-C64 WeakPolarHBondContact CB-SG 3.45Å; C51-C64 VanDerWaalsContact SG-CA 3.56Å; C51-C64 WeakPolarHBondContact SG-CB 3.48Å; C51-C64 CovalentContact SG-SG 2.04Å; C51-C64 PolarHBondContact SG-SG 3.46Å; C53-C64 WeakPolarHBondContact SG-CB 3.45Å; C53-C64 PolarHBondContact SG-SG 3.25Å; C64-D66 PolarHBondContact O-N 3.49Å; C64-Y67 VanDerWaalsContact O-CB 3.3Å; C64-Y67 WeakPolarHBondContact O-CB 3.24Å; C64-Y67 PolarHBondContact O-N 3.27Å
65	S	71.7	Confident	64.2	Low	72 Å²	72	82.4 Å²	82.4	50%	0.503	43%	0.432	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.1	-28.5	-168.9	62.1	0	0	0	0	115.5	D42	D42-S65 WeakPolarHBondContact O-CB 3.21Å; D42-S65 PolarHBondContact O-N 3.18Å; D42-S65 PolarHBondContact O-OG 2.88Å
66	D	69.5	Low	62.7	Low	69 Å²	69	87.3 Å²	87.3	37%	0.369	46%	0.459	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.6	4.8	178.3	61.1	-25.1	0	0	0	112.8	T43 C44 C64 P68	T43-D66 WeakPolarHBondContact CA-OD1 3.47Å; T43-D66 WeakPolarHBondContact CB-OD2 3.4Å; C44-D66 PolarHBondContact N-OD1 3.45Å; C44-D66 PolarHBondContact N-OD2 3.05Å; C44-D66 PolarHBondContact SG-OD1 2.86Å; C64-D66 PolarHBondContact O-N 3.49Å; D66-P68 VanDerWaalsContact O-CD 3.26Å; D66-P68 WeakPolarHBondContact O-CD 3.35Å
67	Y	68.5	Low	61.4	Low	5 Å²	5	92.6 Å²	92.6	2%	0.02	49%	0.488	C	S	.	.			trans	-67.8	113.2	175.3	-176	-115.3	0	0	0	110.1	C53 D54 E55 C57 C63 C64 L69 Y70 N184	C53-Y67 HydrophobicContact CB-CD2 4.38Å; D54-Y67 PolarHBondContact O-OH 3.41Å; E55-Y67 WeakPolarHBondContact CA-OH 3.39Å; C57-Y67 VanDerWaalsContact SG-CD1 3.52Å; C57-Y67 WeakPolarHBondContact SG-CE1 3.5Å; C63-Y67 HydrophobicContact CB-CD1 4.4Å; C64-Y67 VanDerWaalsContact O-CB 3.3Å; C64-Y67 WeakPolarHBondContact O-CB 3.24Å; C64-Y67 PolarHBondContact O-N 3.27Å; Y67-L69 HydrophobicContact CD1-CB 3.91Å; Y67-L69 HydrophobicContact CE1-CB 3.34Å; Y67-L69 HydrophobicContact CE1-CD1 4.25Å; Y67-L69 HydrophobicContact CE1-CG 4.4Å; Y67-L69 HydrophobicContact CE2-CD1 4.38Å; Y67-L69 PolarHBondContact O-N 2.94Å; Y67-L69 VanDerWaalsContact O-N 3.07Å; Y67-L69 WeakPolarHBondContact OH-CD1 3.41Å; Y67-Y70 PolarHBondContact O-N 3.42Å; Y67-Y70 VanDerWaalsContact O-N 3.15Å; Y67-N184 HydrophobicContact CD2-CB 4.07Å; Y67-N184 HydrophobicContact CE2-CB 3.76Å
68	P	58.5	Low	60.2	Low	74 Å²	74	99.6 Å²	99.6	48%	0.481	53%	0.525	S	S	.	.	G	3₁₀ helix	trans	-69.3	-11.6	-168.3	26.7	-33.6	0	0	0	114	D66 Y70 N184	D66-P68 VanDerWaalsContact O-CD 3.26Å; D66-P68 WeakPolarHBondContact O-CD 3.35Å; P68-Y70 VanDerWaalsContact C-N 3.3Å; P68-N184 WeakPolarHBondContact CD-ND2 3.3Å; P68-N184 WeakPolarHBondContact CG-ND2 3.38Å
69	L	56.1	Low	59.5	Low	50 Å²	50	101.9 Å²	101.9	26%	0.262	53%	0.533	S	S	.	.	G	3₁₀ helix	trans	-88.8	10.8	176.7	-80.4	162.1	0	0	0	113.2	Y67 N71 F74	Y67-L69 HydrophobicContact CD1-CB 3.91Å; Y67-L69 HydrophobicContact CE1-CB 3.34Å; Y67-L69 HydrophobicContact CE1-CD1 4.25Å; Y67-L69 HydrophobicContact CE1-CG 4.4Å; Y67-L69 HydrophobicContact CE2-CD1 4.38Å; Y67-L69 PolarHBondContact O-N 2.94Å; Y67-L69 VanDerWaalsContact O-N 3.07Å; Y67-L69 WeakPolarHBondContact OH-CD1 3.41Å; L69-N71 PolarHBondContact O-N 2.97Å; L69-F74 HydrophobicContact CD2-CD2 3.99Å; L69-F74 HydrophobicContact CD2-CG 4.49Å
70	Y	46.9	Very low	59.1	Low	177 Å²	177	96 Å²	96	69%	0.694	51%	0.51	S	S	*	.	G	3₁₀ helix	trans	-65.3	-9.6	167.6	-159.5	-97.4	0	0	0	113	Y67 P68 N72	Y67-Y70 PolarHBondContact O-N 3.42Å; Y67-Y70 VanDerWaalsContact O-N 3.15Å; P68-Y70 VanDerWaalsContact C-N 3.3Å; Y70-N72 PolarHBondContact O-N 2.89Å
71	N	48	Very low	59	Low	128 Å²	128	95.4 Å²	95.4	68%	0.684	52%	0.516	S	S	*	.	S	Bend	trans	-76.6	109.1	166.4	-96.7	-10.4	0	0	0	110.4	L69 S73	L69-N71 PolarHBondContact O-N 2.97Å; N71-S73 PolarHBondContact O-N 3Å
72	N	46.1	Very low	59.4	Low	138 Å²	138	91.8 Å²	91.8	74%	0.738	49%	0.489	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.9	10.9	178.8	-74.5	-16	0	0	0	116.6	Y70	Y70-N72 PolarHBondContact O-N 2.89Å
73	S	40.5	Very low	59.5	Low	99 Å²	99	91.5 Å²	91.5	69%	0.692	49%	0.489	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.6	0.4	-173	67.3	0	0	0	0	115.3	N71	N71-S73 PolarHBondContact O-N 3Å
74	F	43.2	Very low	59.9	Low	151 Å²	151	92.2 Å²	92.2	66%	0.662	49%	0.493	S	S	*	.			trans	-101.7	65.1	171.4	-87.1	-81.1	0	0	0	110.7	L69	L69-F74 HydrophobicContact CD2-CD2 3.99Å; L69-F74 HydrophobicContact CD2-CG 4.49Å
75	H	40.7	Very low	60.3	Low	167 Å²	167	92.5 Å²	92.5	77%	0.773	50%	0.495	S	S	*	.			trans	-81.4	-14.5	170.6	-111.5	-60.6	0	0	0	113.6
76	D	41.5	Very low	60.8	Low	135 Å²	135	92.3 Å²	92.3	72%	0.722	49%	0.485	S	S	*	.	S	Bend	trans	-131.1	111.4	178.1	-73.6	-44.6	0	0	0	110
77	N	46.9	Very low	61.3	Low	134 Å²	134	90.2 Å²	90.2	72%	0.717	47%	0.473	S	S	*	.	S	Bend	trans	162.8	105.1	143	-82.4	-36.5	0	0	0	109.8	I79	N77-I79 PolarHBondContact O-N 3.21Å
78	N	53.8	Low	61.7	Low	147 Å²	147	90.9 Å²	90.9	79%	0.786	48%	0.477	S	S	*	.			trans	26.7	88.4	159.5	-65.9	-13.4	0	0	0	115.4	L80	N78-L80 PolarHBondContact O-N 3.46Å
79	I	56.3	Low	62.9	Low	125 Å²	125	88.1 Å²	88.1	64%	0.641	46%	0.457	S	S	*	.			trans	-53.5	113.9	163.2	-61.1	172.9	0	0	0	106.5	N77	N77-I79 PolarHBondContact O-N 3.21Å
80	L	66	Low	64.1	Low	43 Å²	43	88.5 Å²	88.5	23%	0.225	46%	0.456	C	S	.	.			trans	-63.2	139.7	178.2	-81.4	137.3	0	0	0	108.4	N78 T82 I111 R185 H196	N78-L80 PolarHBondContact O-N 3.46Å; L80-T82 PolarHBondContact O-N 3.48Å; L80-T82 VanDerWaalsContact O-N 3.08Å; L80-I111 HydrophobicContact CB-CD1 3.91Å; L80-I111 HydrophobicContact CB-CG1 4.44Å; L80-I111 HydrophobicContact CD1-CD1 4.31Å; L80-R185 VanDerWaalsContact CD1-CZ 3.43Å; L80-H196 WeakPolarHBondContact CD2-CE1 3.24Å; L80-H196 WeakPolarHBondContact CD2-ND1 3.43Å
81	T	72.1	Confident	65.8	Low	104 Å²	104	80.2 Å²	80.2	64%	0.638	42%	0.423	S	S	*	.			trans	-75.7	103.4	-178.2	44.1	0	0	0	0	110
82	T	82.3	Confident	67.4	Low	35 Å²	35	74.9 Å²	74.9	22%	0.215	40%	0.396	C	S	.	.			trans	-70.8	144.8	164.8	50.2	0	0	0	0	110.6	E55 L80 I111	E55-T82 HydrophobicContact CG-CG2 4.48Å; E55-T82 WeakPolarHBondContact OE1-CG2 3.45Å; L80-T82 PolarHBondContact O-N 3.48Å; L80-T82 VanDerWaalsContact O-N 3.08Å; T82-I111 HydrophobicContact CG2-CG1 4.02Å
83	T	84.9	Confident	68.8	Low	36 Å²	36	71.2 Å²	71.2	22%	0.221	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	164.5	167	76.1	0	0	0	0	110	A110 S112 K130	T83-A110 PolarHBondContact N-O 3.33Å; T83-A110 PolarHBondContact O-N 3.34Å; T83-A110 VanDerWaalsContact O-O 3.08Å; T83-S112 PolarHBondContact OG1-OG 3.4Å; T83-K130 VanDerWaalsContact OG1-CE 3.31Å; T83-K130 WeakPolarHBondContact OG1-CE 3.27Å
84	C	85.8	Confident	70.4	Confident	44 Å²	44	69.9 Å²	69.9	30%	0.297	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	134.6	168.2	-59.7	0	0	0	0	109.8	E107 I108 C249	C84-E107 HydrophobicContact CB-CB 4.21Å; C84-E107 VanDerWaalsContact CB-OE2 3.29Å; C84-E107 WeakPolarHBondContact CB-OE2 3.36Å; C84-I108 WeakPolarHBondContact CA-O 3.44Å; C84-C249 WeakPolarHBondContact CA-SG 3.41Å; C84-C249 HydrophobicContact CB-CB 3.9Å; C84-C249 WeakPolarHBondContact CB-SG 3.37Å; C84-C249 WeakPolarHBondContact SG-CB 3.19Å; C84-C249 CovalentContact SG-SG 2.03Å; C84-C249 PolarHBondContact SG-SG 2.86Å
85	V	86.9	Confident	71.4	Confident	9 Å²	9	66.8 Å²	66.8	6%	0.055	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	142.3	172.6	-65.7	0	0	0	0	109	K87 E107 I108 A110 K130 A188	V85-K87 PolarHBondContact O-N 3.3Å; V85-E107 VanDerWaalsContact O-CA 3.31Å; V85-E107 WeakPolarHBondContact O-CA 3.17Å; V85-I108 HydrophobicContact CG2-CG1 3.96Å; V85-I108 PolarHBondContact N-O 3.27Å; V85-I108 PolarHBondContact O-N 3.11Å; V85-A110 HydrophobicContact CG2-CB 3.66Å; V85-K130 HydrophobicContact CG1-CG 4.4Å; V85-A188 HydrophobicContact CG1-CB 4.07Å; V85-A188 HydrophobicContact CG2-CB 4.37Å
86	K	83.3	Confident	72.4	Confident	69 Å²	69	65 Å²	65	30%	0.3	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62	119.1	176.7	-68.7	-173.9	177.1	-172.5	0	109.7	H89 E102 E107	K86-H89 PolarHBondContact O-NE2 2.84Å; K86-E102 IonicContact NZ-OE1 2.75Å; K86-E102 PolarHBondContact NZ-OE1 3.38Å; K86-E107 HydrophobicContact CG-CG 4.41Å
87	K	78.1	Confident	73.3	Confident	24 Å²	24	60.8 Å²	60.8	10%	0.104	33%	0.327	C	S	.	.	S	Bend	trans	-79.6	-33.9	173.1	-179.9	-170.3	159.2	-162.8	0	111.1	V85 E106 I108 T239	V85-K87 PolarHBondContact O-N 3.3Å; K87-E106 VanDerWaalsContact CB-O 3.27Å; K87-E106 WeakPolarHBondContact CB-O 3.3Å; K87-E106 HydrophobicContact CD-CB 4.47Å; K87-E106 PolarHBondContact N-O 3.09Å; K87-E106 IonicContact NZ-OE2 3.21Å; K87-E106 PolarHBondContact NZ-OE2 3.03Å; K87-I108 HydrophobicContact CB-CD1 4.46Å; K87-I108 HydrophobicContact CB-CG1 4.28Å; K87-I108 HydrophobicContact CB-CG2 4.08Å; K87-I108 HydrophobicContact CD-CG2 3.91Å; K87-I108 HydrophobicContact CG-CG2 4.37Å; K87-T239 WeakPolarHBondContact CG-OG1 3.26Å
88	I	78.7	Confident	73.6	Confident	20 Å²	20	55.7 Å²	55.7	10%	0.103	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	132.5	-176.3	-61.8	176.6	0	0	0	109.2	Y90 E106 L236 L237	I88-Y90 HydrophobicContact CG2-CD2 4.44Å; I88-Y90 HydrophobicContact CG2-CE2 4.01Å; I88-E106 HydrophobicContact CD1-CB 3.96Å; I88-E106 HydrophobicContact CD1-CG 3.99Å; I88-E106 HydrophobicContact CG1-CB 4.37Å; I88-L236 HydrophobicContact CG2-CD1 3.25Å; I88-L236 HydrophobicContact CG2-CG 4.45Å; I88-L237 WeakPolarHBondContact CA-O 3.38Å
89	H	82	Confident	73.6	Confident	16 Å²	16	56.3 Å²	56.3	7%	0.074	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	130.9	177.1	-63	-102	0	0	0	110	K86 I134 L237	K86-H89 PolarHBondContact O-NE2 2.84Å; H89-I134 HydrophobicContact CB-CD1 4.37Å; H89-L237 HydrophobicContact CB-CB 4.26Å; H89-L237 PolarHBondContact N-O 3.03Å; H89-L237 PolarHBondContact O-N 3.33Å
90	Y	81.2	Confident	73.4	Confident	58 Å²	58	56.2 Å²	56.2	23%	0.227	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	136	170.3	-71.1	-86	0	0	0	109.2	I88 Y101 C235 L236	I88-Y90 HydrophobicContact CG2-CD2 4.44Å; I88-Y90 HydrophobicContact CG2-CE2 4.01Å; Y90-Y101 HydrophobicContact CD1-CD1 4.46Å; Y90-Y101 HydrophobicContact CE1-CD1 4.03Å; Y90-C235 WeakPolarHBondContact CA-O 3.33Å; Y90-L236 HydrophobicContact CD1-CD1 4.01Å; Y90-L236 HydrophobicContact CE1-CB 4.4Å; Y90-L236 HydrophobicContact CE1-CD1 3.5Å; Y90-L236 VanDerWaalsContact CE1-CD1 3.5Å; Y90-L236 HydrophobicContact CE2-CD1 4.08Å; Y90-L236 HydrophobicContact CG-CD1 4.5Å
91	V	83.7	Confident	72.6	Confident	2 Å²	2	56.6 Å²	56.6	1%	0.012	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	121.1	173.9	-173.2	0	0	0	0	107.9	I134 F136 F167 I234 C235 L237	V91-I134 WeakPolarHBondContact CG1-O 3.3Å; V91-I134 HydrophobicContact CG2-CB 3.68Å; V91-I134 HydrophobicContact CG2-CG2 3.61Å; V91-F136 HydrophobicContact CB-CE2 4.36Å; V91-F136 HydrophobicContact CB-CZ 4.24Å; V91-F136 HydrophobicContact CG1-CD1 4.37Å; V91-F136 HydrophobicContact CG1-CD2 3.85Å; V91-F136 HydrophobicContact CG1-CE1 4.27Å; V91-F136 HydrophobicContact CG1-CE2 3.73Å; V91-F136 HydrophobicContact CG1-CG 4.18Å; V91-F136 HydrophobicContact CG1-CZ 3.94Å; V91-F167 HydrophobicContact CB-CE1 4.1Å; V91-F167 HydrophobicContact CB-CZ 4.23Å; V91-F167 HydrophobicContact CG1-CE1 3.79Å; V91-F167 HydrophobicContact CG1-CZ 4.32Å; V91-F167 HydrophobicContact CG2-CE1 4.12Å; V91-F167 HydrophobicContact CG2-CZ 4.38Å; V91-I234 WeakPolarHBondContact O-CA 3.37Å; V91-C235 HydrophobicContact CB-CB 4.44Å; V91-C235 PolarHBondContact N-O 3.43Å; V91-C235 PolarHBondContact O-N 2.84Å; V91-L237 HydrophobicContact CB-CD1 4.36Å; V91-L237 HydrophobicContact CG2-CD1 3.59Å
92	T	81.1	Confident	71.5	Confident	17 Å²	17	56 Å²	56	10%	0.104	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	152.8	179.9	69.1	0	0	0	0	109.9	E94 I98 R233 I234	T92-E94 VanDerWaalsContact OG1-C 3.27Å; T92-E94 PolarHBondContact OG1-O 3.12Å; T92-I98 HydrophobicContact CG2-CD1 4.4Å; T92-I98 HydrophobicContact CG2-CG1 3.83Å; T92-I98 WeakPolarHBondContact OG1-CD1 3.28Å; T92-I98 VanDerWaalsContact OG1-CG1 3.27Å; T92-I98 WeakPolarHBondContact OG1-CG1 3.45Å; T92-R233 WeakPolarHBondContact CA-O 3.33Å; T92-I234 HydrophobicContact CG2-CB 4.46Å; T92-I234 HydrophobicContact CG2-CD1 4.34Å; T92-I234 HydrophobicContact CG2-CG1 3.99Å; T92-I234 HydrophobicContact CG2-CG2 4.16Å
93	D	76.9	Confident	69.9	Low	61 Å²	61	60 Å²	60	33%	0.326	30%	0.304	S	S	.	.	S	Bend	trans	-67.1	-29.7	169.8	-70.3	-43.4	0	0	0	111.6	F136 Y232 R233	D93-F136 WeakPolarHBondContact OD1-CD2 3.42Å; D93-Y232 HydrophobicContact CB-CD1 4.27Å; D93-R233 PolarHBondContact N-O 2.98Å; D93-R233 IonicContact OD1-CZ 2.7Å; D93-R233 VanDerWaalsContact OD1-CZ 3.3Å; D93-R233 IonicContact OD1-NE 3.58Å; D93-R233 PolarHBondContact OD1-NE 3.05Å; D93-R233 IonicContact OD1-NH2 3.8Å; D93-R233 PolarHBondContact OD1-NH2 2.71Å; D93-R233 VanDerWaalsContact OD2-CB 3.28Å; D93-R233 WeakPolarHBondContact OD2-CB 3.37Å; D93-R233 VanDerWaalsContact OD2-CG 3.32Å; D93-R233 WeakPolarHBondContact OD2-CG 3.3Å; D93-R233 PolarHBondContact OD2-N 3Å; D93-R233 IonicContact OD2-NE 3.1Å; D93-R233 PolarHBondContact OD2-NE 3.09Å
94	E	72.3	Confident	68.3	Low	70 Å²	70	62 Å²	62	33%	0.327	31%	0.312	S	S	.	.	S	Bend	trans	-119.5	107.6	-177.1	-159.3	167.1	-143.2	0	0	110	T92 N96 I97 Y232	T92-E94 VanDerWaalsContact OG1-C 3.27Å; T92-E94 PolarHBondContact OG1-O 3.12Å; E94-N96 PolarHBondContact O-N 2.87Å; E94-I97 HydrophobicContact CB-CD1 3.96Å; E94-I97 HydrophobicContact CB-CG1 4.26Å; E94-I97 PolarHBondContact O-N 2.97Å; E94-Y232 HydrophobicContact CB-CD1 3.95Å; E94-Y232 HydrophobicContact CB-CE1 3.99Å; E94-Y232 HydrophobicContact CG-CE1 4.42Å; E94-Y232 WeakPolarHBondContact OE2-CE1 3.5Å; E94-Y232 PolarHBondContact OE2-OH 3.18Å
95	P	64.1	Low	67.1	Low	86 Å²	86	61.2 Å²	61.2	56%	0.558	31%	0.307	S	S	*	.	G	3₁₀ helix	trans	-68.2	-22.6	-171.9	24	-32.4	0	0	0	113.2	I97 I98	P95-I97 PolarHBondContact O-N 3.06Å; P95-I98 HydrophobicContact CB-CD1 4.17Å; P95-I98 WeakPolarHBondContact O-CB 3.42Å; P95-I98 WeakPolarHBondContact O-CG1 3.46Å; P95-I98 PolarHBondContact O-N 3.42Å
96	N	62.6	Low	66.3	Low	131 Å²	131	64.5 Å²	64.5	70%	0.701	32%	0.322	S	S	*	.	G	3₁₀ helix	trans	-66.8	-22.5	178.7	-62.6	-12.9	0	0	0	113	E94 I98	E94-N96 PolarHBondContact O-N 2.87Å; N96-I98 PolarHBondContact O-N 3.39Å
97	I	59.7	Low	66.2	Low	45 Å²	45	64.2 Å²	64.2	23%	0.231	32%	0.322	C	S	.	.	G	3₁₀ helix	trans	-70.9	-23.5	174.3	-60.5	175.9	0	0	0	110.3	E94 P95 E99 E100 Y101 Y232 I234	E94-I97 HydrophobicContact CB-CD1 3.96Å; E94-I97 HydrophobicContact CB-CG1 4.26Å; E94-I97 PolarHBondContact O-N 2.97Å; P95-I97 PolarHBondContact O-N 3.06Å; I97-E99 VanDerWaalsContact C-N 3.31Å; I97-E99 PolarHBondContact O-N 3.4Å; I97-E100 PolarHBondContact O-N 3.27Å; I97-Y101 HydrophobicContact CG2-CD2 4.24Å; I97-Y101 HydrophobicContact CG2-CE2 3.69Å; I97-Y101 VanDerWaalsContact O-CD2 3.28Å; I97-Y101 WeakPolarHBondContact O-CD2 3.33Å; I97-Y232 HydrophobicContact CD1-CD2 4.31Å; I97-Y232 HydrophobicContact CD1-CG 4.3Å; I97-I234 HydrophobicContact CG2-CD1 4.46Å
98	I	54.2	Low	66.6	Low	28 Å²	28	63.3 Å²	63.3	14%	0.144	32%	0.318	C	S	.	.	G	3₁₀ helix	trans	-67.6	-27.1	-173.1	-59	174.6	0	0	0	112.3	T92 P95 N96 E100 Y101 E102	T92-I98 HydrophobicContact CG2-CD1 4.4Å; T92-I98 HydrophobicContact CG2-CG1 3.83Å; T92-I98 WeakPolarHBondContact OG1-CD1 3.28Å; T92-I98 VanDerWaalsContact OG1-CG1 3.27Å; T92-I98 WeakPolarHBondContact OG1-CG1 3.45Å; P95-I98 HydrophobicContact CB-CD1 4.17Å; P95-I98 WeakPolarHBondContact O-CB 3.42Å; P95-I98 WeakPolarHBondContact O-CG1 3.46Å; P95-I98 PolarHBondContact O-N 3.42Å; N96-I98 PolarHBondContact O-N 3.39Å; I98-E100 PolarHBondContact O-N 3.08Å; I98-E100 VanDerWaalsContact O-N 3.09Å; I98-Y101 CarbonylContact O-C 3.53Å; I98-Y101 WeakPolarHBondContact O-CA 3.35Å; I98-Y101 PolarHBondContact O-N 2.96Å; I98-E102 HydrophobicContact CG2-CB 4.2Å; I98-E102 HydrophobicContact CG2-CG 3.75Å; I98-E102 PolarHBondContact O-N 3.2Å
99	E	53.3	Low	66.9	Low	160 Å²	160	64.5 Å²	64.5	75%	0.748	32%	0.321	S	S	*	.	H	α-helix	trans	-56.6	-30.4	-179.5	-73.2	-173.1	175.6	0	0	112.5	I97 Y101	I97-E99 VanDerWaalsContact C-N 3.31Å; I97-E99 PolarHBondContact O-N 3.4Å; E99-Y101 VanDerWaalsContact C-N 3.34Å
100	E	51.5	Low	67.3	Low	123 Å²	123	63.7 Å²	63.7	58%	0.575	32%	0.318	S	S	*	.	H	α-helix	trans	-75.4	-21.7	175	-164.3	175.7	-170.2	0	0	113.1	I97 I98	I97-E100 PolarHBondContact O-N 3.27Å; I98-E100 PolarHBondContact O-N 3.08Å; I98-E100 VanDerWaalsContact O-N 3.09Å
101	Y	50.3	Low	67.7	Low	50 Å²	50	61 Å²	61	20%	0.196	31%	0.307	C	S	.	.	H	α-helix	trans	-103.6	-23.5	-176.4	-63.5	-85.9	0	0	0	114.1	Y90 I97 I98 E99 D103 L104	Y90-Y101 HydrophobicContact CD1-CD1 4.46Å; Y90-Y101 HydrophobicContact CE1-CD1 4.03Å; I97-Y101 HydrophobicContact CG2-CD2 4.24Å; I97-Y101 HydrophobicContact CG2-CE2 3.69Å; I97-Y101 VanDerWaalsContact O-CD2 3.28Å; I97-Y101 WeakPolarHBondContact O-CD2 3.33Å; I98-Y101 CarbonylContact O-C 3.53Å; I98-Y101 WeakPolarHBondContact O-CA 3.35Å; I98-Y101 PolarHBondContact O-N 2.96Å; E99-Y101 VanDerWaalsContact C-N 3.34Å; Y101-D103 VanDerWaalsContact C-N 3.27Å; Y101-D103 PolarHBondContact O-N 3.47Å; Y101-L104 WeakPolarHBondContact O-CB 3.44Å; Y101-L104 PolarHBondContact O-N 3.46Å; Y101-L104 VanDerWaalsContact O-N 3.08Å
102	E	49.4	Very low	68	Low	93 Å²	93	61 Å²	61	44%	0.435	31%	0.307	S	S	.	.	H	α-helix	trans	-65.7	-30.4	-174.8	-118.1	-173	161.9	0	0	112.8	K86 I98 L104 S105	K86-E102 IonicContact NZ-OE1 2.75Å; K86-E102 PolarHBondContact NZ-OE1 3.38Å; I98-E102 HydrophobicContact CG2-CB 4.2Å; I98-E102 HydrophobicContact CG2-CG 3.75Å; I98-E102 PolarHBondContact O-N 3.2Å; E102-L104 PolarHBondContact O-N 3.4Å; E102-L104 VanDerWaalsContact O-N 3.09Å; E102-S105 WeakPolarHBondContact O-CB 3.43Å; E102-S105 PolarHBondContact O-N 3.42Å; E102-S105 PolarHBondContact O-OG 2.89Å
103	D	47.8	Very low	68.4	Low	119 Å²	119	62.9 Å²	62.9	64%	0.636	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.8	-14.9	173.7	-88.3	-7.4	0	0	0	113.7	Y101	Y101-D103 VanDerWaalsContact C-N 3.27Å; Y101-D103 PolarHBondContact O-N 3.47Å
104	L	52.2	Low	69	Low	76 Å²	76	61.1 Å²	61.1	40%	0.398	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.6	2.9	177.9	-69.8	142.9	0	0	0	113.4	Y101 E102 E106 I257	Y101-L104 WeakPolarHBondContact O-CB 3.44Å; Y101-L104 PolarHBondContact O-N 3.46Å; Y101-L104 VanDerWaalsContact O-N 3.08Å; E102-L104 PolarHBondContact O-N 3.4Å; E102-L104 VanDerWaalsContact O-N 3.09Å; L104-E106 PolarHBondContact O-N 3.36Å; L104-E106 VanDerWaalsContact O-N 3.09Å; L104-I257 HydrophobicContact CD2-CD1 3.71Å; L104-I257 HydrophobicContact CG-CD1 3.93Å
105	S	60.8	Low	69.7	Low	28 Å²	28	60.6 Å²	60.6	20%	0.196	31%	0.312	C	S	.	.			trans	-70.7	106	-177.1	58.2	0	0	0	0	111.6	E102 E107	E102-S105 WeakPolarHBondContact O-CB 3.43Å; E102-S105 PolarHBondContact O-N 3.42Å; E102-S105 PolarHBondContact O-OG 2.89Å; S105-E107 PolarHBondContact O-N 3.49Å
106	E	68.5	Low	70.7	Confident	79 Å²	79	65 Å²	65	37%	0.369	33%	0.329	S	S	.	.			trans	-69	126.5	171.7	-71	-175.4	176.7	0	0	109.9	K87 I88 L104	K87-E106 VanDerWaalsContact CB-O 3.27Å; K87-E106 WeakPolarHBondContact CB-O 3.3Å; K87-E106 HydrophobicContact CD-CB 4.47Å; K87-E106 PolarHBondContact N-O 3.09Å; K87-E106 IonicContact NZ-OE2 3.21Å; K87-E106 PolarHBondContact NZ-OE2 3.03Å; I88-E106 HydrophobicContact CD1-CB 3.96Å; I88-E106 HydrophobicContact CD1-CG 3.99Å; I88-E106 HydrophobicContact CG1-CB 4.37Å; L104-E106 PolarHBondContact O-N 3.36Å; L104-E106 VanDerWaalsContact O-N 3.09Å
107	E	82.8	Confident	71.8	Confident	63 Å²	63	66.7 Å²	66.7	29%	0.294	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	143.2	171.6	-63.5	-169.6	153.5	0	0	111.2	C84 V85 K86 S105 S248 C249	C84-E107 HydrophobicContact CB-CB 4.21Å; C84-E107 VanDerWaalsContact CB-OE2 3.29Å; C84-E107 WeakPolarHBondContact CB-OE2 3.36Å; V85-E107 VanDerWaalsContact O-CA 3.31Å; V85-E107 WeakPolarHBondContact O-CA 3.17Å; K86-E107 HydrophobicContact CG-CG 4.41Å; S105-E107 PolarHBondContact O-N 3.49Å; E107-S248 WeakPolarHBondContact O-CA 3.08Å; E107-C249 HydrophobicContact CB-CB 4.02Å; E107-C249 PolarHBondContact O-N 3.07Å
108	I	85.4	Confident	73.1	Confident	4 Å²	4	66 Å²	66	2%	0.021	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	153.8	178.3	61.3	170.7	0	0	0	111.6	C84 V85 K87 A110 L241 R247	C84-I108 WeakPolarHBondContact CA-O 3.44Å; V85-I108 HydrophobicContact CG2-CG1 3.96Å; V85-I108 PolarHBondContact N-O 3.27Å; V85-I108 PolarHBondContact O-N 3.11Å; K87-I108 HydrophobicContact CB-CD1 4.46Å; K87-I108 HydrophobicContact CB-CG1 4.28Å; K87-I108 HydrophobicContact CB-CG2 4.08Å; K87-I108 HydrophobicContact CD-CG2 3.91Å; K87-I108 HydrophobicContact CG-CG2 4.37Å; I108-A110 PolarHBondContact O-N 3.43Å; I108-L241 HydrophobicContact CD1-CD2 3.69Å; I108-R247 WeakPolarHBondContact CA-O 3.35Å
109	Y	85.2	Confident	74.8	Confident	45 Å²	45	68.1 Å²	68.1	18%	0.176	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	120.8	170.5	-73.9	-79.7	0	0	0	111	L56 R247 C249 P250	L56-Y109 HydrophobicContact CD1-CD1 4.23Å; L56-Y109 HydrophobicContact CD1-CD2 4.24Å; L56-Y109 HydrophobicContact CD1-CG 4.05Å; Y109-R247 HydrophobicContact CD2-CB 4.38Å; Y109-R247 HydrophobicContact CD2-CG 4.08Å; Y109-R247 PolarHBondContact N-O 3.34Å; Y109-C249 HydrophobicContact CE2-CB 4.35Å; Y109-P250 WeakPolarHBondContact OH-CD 3.31Å
110	A	89.6	Confident	76.5	Confident	0 Å²	0	69.5 Å²	69.5	0%	0	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	156.9	172.9	0	0	0	0	0	112.2	T83 V85 I108 S112 I186 A188	T83-A110 PolarHBondContact N-O 3.33Å; T83-A110 PolarHBondContact O-N 3.34Å; T83-A110 VanDerWaalsContact O-O 3.08Å; V85-A110 HydrophobicContact CG2-CB 3.66Å; I108-A110 PolarHBondContact O-N 3.43Å; A110-S112 PolarHBondContact O-N 3.31Å; A110-I186 HydrophobicContact CB-CG2 3.93Å; A110-A188 HydrophobicContact CB-CB 4.22Å
111	I	89.9	Confident	78.3	Confident	2 Å²	2	71 Å²	71	1%	0.01	36%	0.362	C	S	.	.	B	Isolated β-bridge	trans	-77.6	116.2	172.3	-59	172.5	0	0	0	108.7	L80 T82 R185 I186 Y187 A188 H196	L80-I111 HydrophobicContact CB-CD1 3.91Å; L80-I111 HydrophobicContact CB-CG1 4.44Å; L80-I111 HydrophobicContact CD1-CD1 4.31Å; T82-I111 HydrophobicContact CG2-CG1 4.02Å; I111-R185 HydrophobicContact CD1-CB 4.12Å; I111-R185 HydrophobicContact CD1-CG 4.32Å; I111-I186 PolarHBondContact N-O 3.44Å; I111-Y187 HydrophobicContact CB-CD1 3.79Å; I111-Y187 HydrophobicContact CB-CE1 4.08Å; I111-Y187 HydrophobicContact CD1-CD1 4.27Å; I111-Y187 HydrophobicContact CD1-CE1 3.78Å; I111-Y187 HydrophobicContact CG2-CD1 3.95Å; I111-Y187 HydrophobicContact CG2-CE1 4.03Å; I111-A188 PolarHBondContact O-N 3.29Å; I111-H196 VanDerWaalsContact CG2-NE2 3.31Å; I111-H196 WeakPolarHBondContact CG2-NE2 3.48Å
112	S	90.1	Very high	80.1	Confident	0 Å²	0	70.3 Å²	70.3	0%	0	36%	0.361	C	S	.	.			trans	-132.4	5.1	-168.6	61.6	0	0	0	0	113.1	T83 A110 C126 N127 K130	T83-S112 PolarHBondContact OG1-OG 3.4Å; A110-S112 PolarHBondContact O-N 3.31Å; S112-C126 VanDerWaalsContact C-SG 3.52Å; S112-C126 PolarHBondContact O-SG 3.02Å; S112-N127 PolarHBondContact O-OD1 3.48Å; S112-K130 WeakPolarHBondContact OG-CE 3.27Å; S112-K130 PolarHBondContact OG-NZ 3.39Å
113	N	90.5	Very high	82	Confident	57 Å²	57	66.9 Å²	66.9	31%	0.305	35%	0.349	S	S	.	.			trans	-125.1	138.4	177.9	-73.2	-32.8	0	0	0	109.2	K130 H196	N113-K130 PolarHBondContact ND2-NZ 2.88Å; N113-K130 VanDerWaalsContact ND2-NZ 3.16Å; N113-K130 PolarHBondContact OD1-NZ 2.82Å; N113-H196 PolarHBondContact O-NE2 2.99Å
114	C	89.3	Confident	83.9	Confident	24 Å²	24	64.7 Å²	64.7	16%	0.162	34%	0.343	C	S	.	.			trans	-89.3	157.5	174.5	-65.6	0	0	0	0	112.5	T118 A123 C126 C195	C114-T118 HydrophobicContact CB-CG2 4.09Å; C114-A123 HydrophobicContact CB-CB 4.16Å; C114-C126 WeakPolarHBondContact SG-CB 3.47Å; C114-C195 WeakPolarHBondContact CA-SG 3.3Å; C114-C195 HydrophobicContact CB-CB 3.65Å; C114-C195 WeakPolarHBondContact CB-SG 3.26Å; C114-C195 WeakPolarHBondContact SG-CB 3.47Å; C114-C195 CovalentContact SG-SG 2.03Å; C114-C195 PolarHBondContact SG-SG 3.44Å
115	P	87.2	Confident	85.7	Confident	60 Å²	60	65.4 Å²	65.4	39%	0.39	34%	0.34	S	S	.	.			trans	-60.1	149.2	170.8	-20.4	31.6	0	0	0	112.2	N117 T118	P115-N117 PolarHBondContact O-N 2.86Å; P115-N117 VanDerWaalsContact O-N 3.08Å; P115-T118 WeakPolarHBondContact CD-OG1 3.4Å; P115-T118 VanDerWaalsContact O-CB 3.25Å; P115-T118 WeakPolarHBondContact O-CB 3.48Å; P115-T118 PolarHBondContact O-N 3.05Å; P115-T118 PolarHBondContact O-OG1 2.9Å
116	L	84.2	Confident	87	Confident	178 Å²	178	64 Å²	64	93%	0.932	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.3	-29.7	-176.2	-70.9	170.4	0	0	0	114.4	T118	L116-T118 VanDerWaalsContact C-N 3.26Å; L116-T118 PolarHBondContact O-N 3.3Å
117	N	85.4	Confident	88.1	Confident	166 Å²	166	62.9 Å²	62.9	89%	0.888	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.5	4.9	-179.3	-68	-3.4	0	0	0	114	P115	P115-N117 PolarHBondContact O-N 2.86Å; P115-N117 VanDerWaalsContact O-N 3.08Å
118	T	87.4	Confident	88.4	Confident	30 Å²	30	64.5 Å²	64.5	18%	0.184	33%	0.33	C	S	.	.	S	Bend	trans	-77	144.9	-179.6	-52.2	0	0	0	0	111.1	C114 P115 L116 K120 I122 C195	C114-T118 HydrophobicContact CB-CG2 4.09Å; P115-T118 WeakPolarHBondContact CD-OG1 3.4Å; P115-T118 VanDerWaalsContact O-CB 3.25Å; P115-T118 WeakPolarHBondContact O-CB 3.48Å; P115-T118 PolarHBondContact O-N 3.05Å; P115-T118 PolarHBondContact O-OG1 2.9Å; L116-T118 VanDerWaalsContact C-N 3.26Å; L116-T118 PolarHBondContact O-N 3.3Å; T118-K120 PolarHBondContact O-N 2.91Å; T118-I122 HydrophobicContact CG2-CB 4.02Å; T118-I122 HydrophobicContact CG2-CG2 4.18Å; T118-C195 HydrophobicContact CG2-CB 3.56Å
119	S	90.1	Very high	88.3	Confident	73 Å²	73	64.6 Å²	64.6	51%	0.51	33%	0.331	S	S	.	.			trans	-49.8	129	168.8	174.7	0	0	0	0	111.8	K121 I122 A123	S119-K121 PolarHBondContact O-N 3.46Å; S119-I122 PolarHBondContact O-N 3.31Å; S119-A123 PolarHBondContact O-N 3.46Å
120	K	88.6	Confident	88.1	Confident	190 Å²	190	64.7 Å²	64.7	83%	0.826	33%	0.332	S	S	*	.	H	α-helix	trans	-51.6	-34.3	179.9	-68.2	-174.7	179	-178.6	0	112.8	T118 S124	T118-K120 PolarHBondContact O-N 2.91Å; K120-S124 WeakPolarHBondContact O-CB 3.41Å; K120-S124 PolarHBondContact O-N 3.38Å; K120-S124 PolarHBondContact O-OG 3.33Å
121	K	89.2	Confident	87.7	Confident	154 Å²	154	73.9 Å²	73.9	67%	0.67	37%	0.368	S	S	*	.	H	α-helix	trans	-69.9	-32.6	179.4	-173.2	176.9	-179.4	178.3	0	113.4	S119 S124 R125	S119-K121 PolarHBondContact O-N 3.46Å; K121-S124 PolarHBondContact O-OG 2.78Å; K121-R125 WeakPolarHBondContact O-CG 3.48Å; K121-R125 PolarHBondContact O-NE 3.45Å
122	I	88.1	Confident	87.4	Confident	36 Å²	36	74.8 Å²	74.8	19%	0.185	37%	0.373	C	S	.	.	H	α-helix	trans	-80.6	-43.1	176	-59.7	176.1	0	0	0	109	T118 S119 S124 R125 C126 C195	T118-I122 HydrophobicContact CG2-CB 4.02Å; T118-I122 HydrophobicContact CG2-CG2 4.18Å; S119-I122 PolarHBondContact O-N 3.31Å; I122-S124 VanDerWaalsContact C-N 3.31Å; I122-S124 PolarHBondContact O-N 3.43Å; I122-R125 PolarHBondContact O-N 3.08Å; I122-R125 VanDerWaalsContact O-N 3.14Å; I122-C126 PolarHBondContact O-N 3.2Å; I122-C195 HydrophobicContact CG2-CB 3.9Å
123	A	88.8	Confident	87	Confident	21 Å²	21	80 Å²	80	17%	0.174	40%	0.401	C	S	.	.	H	α-helix	trans	-57.8	-42.2	177.1	0	0	0	0	0	112.4	C114 S119 R125 C126 N127	C114-A123 HydrophobicContact CB-CB 4.16Å; S119-A123 PolarHBondContact O-N 3.46Å; A123-R125 PolarHBondContact O-N 3.22Å; A123-C126 PolarHBondContact O-N 3.27Å; A123-N127 WeakPolarHBondContact O-CB 3.43Å; A123-N127 VanDerWaalsContact O-CG 3.26Å; A123-N127 PolarHBondContact O-N 3.26Å; A123-N127 PolarHBondContact O-OD1 3.14Å
124	S	89.4	Confident	86.7	Confident	72 Å²	72	77.8 Å²	77.8	50%	0.503	39%	0.389	S	S	.	.	H	α-helix	trans	-65	-37.5	176.4	64.7	0	0	0	0	113.1	K120 K121 I122 R128	K120-S124 WeakPolarHBondContact O-CB 3.41Å; K120-S124 PolarHBondContact O-N 3.38Å; K120-S124 PolarHBondContact O-OG 3.33Å; K121-S124 PolarHBondContact O-OG 2.78Å; I122-S124 VanDerWaalsContact C-N 3.31Å; I122-S124 PolarHBondContact O-N 3.43Å; S124-R128 PolarHBondContact O-N 2.94Å
125	R	89	Confident	86.6	Confident	91 Å²	91	82.1 Å²	82.1	34%	0.343	41%	0.407	S	S	.	.	H	α-helix	trans	-69.5	-40.4	176	-71.7	-173.4	-63.3	154.9	12.6	112.4	K121 I122 A123 R128 D191	K121-R125 WeakPolarHBondContact O-CG 3.48Å; K121-R125 PolarHBondContact O-NE 3.45Å; I122-R125 PolarHBondContact O-N 3.08Å; I122-R125 VanDerWaalsContact O-N 3.14Å; A123-R125 PolarHBondContact O-N 3.22Å; R125-R128 VanDerWaalsContact O-CB 3.31Å; R125-R128 WeakPolarHBondContact O-CB 3.27Å; R125-R128 PolarHBondContact O-N 3.1Å; R125-D191 HydrophobicContact CB-CB 4.05Å; R125-D191 IonicContact CZ-OD1 3.43Å; R125-D191 IonicContact NE-OD1 3.11Å; R125-D191 IonicContact NH1-OD1 2.94Å; R125-D191 PolarHBondContact NH1-OD1 2.91Å; R125-D191 IonicContact NH2-OD1 2.83Å; R125-D191 PolarHBondContact NH2-OD1 3.46Å
126	C	89.3	Confident	86.5	Confident	0 Å²	0	80.3 Å²	80.3	0%	0	39%	0.393	C	S	.	.	H	α-helix	trans	-60.7	-52.4	174.1	167.4	0	0	0	0	111.2	S112 C114 I122 A123 R128 N189 C192	S112-C126 VanDerWaalsContact C-SG 3.52Å; S112-C126 PolarHBondContact O-SG 3.02Å; C114-C126 WeakPolarHBondContact SG-CB 3.47Å; I122-C126 PolarHBondContact O-N 3.2Å; A123-C126 PolarHBondContact O-N 3.27Å; C126-R128 PolarHBondContact O-N 3.36Å; C126-N189 PolarHBondContact O-ND2 3.16Å; C126-C192 VanDerWaalsContact C-SG 3.57Å; C126-C192 WeakPolarHBondContact CA-SG 3.4Å; C126-C192 HydrophobicContact CB-CB 4.01Å; C126-C192 WeakPolarHBondContact CB-SG 3.27Å; C126-C192 PolarHBondContact O-SG 3.06Å; C126-C192 VanDerWaalsContact O-SG 3.41Å; C126-C192 WeakPolarHBondContact SG-CA 3.42Å; C126-C192 WeakPolarHBondContact SG-CB 3.37Å; C126-C192 CovalentContact SG-SG 2.04Å; C126-C192 PolarHBondContact SG-SG 3.32Å
127	N	90.1	Very high	86.3	Confident	55 Å²	55	73.3 Å²	73.3	29%	0.294	36%	0.357	S	S	.	.	H	α-helix	trans	-65.9	-14.2	-176.7	-68.7	3.5	0	0	0	113.6	S112 A123 S129 K130	S112-N127 PolarHBondContact O-OD1 3.48Å; A123-N127 WeakPolarHBondContact O-CB 3.43Å; A123-N127 VanDerWaalsContact O-CG 3.26Å; A123-N127 PolarHBondContact O-N 3.26Å; A123-N127 PolarHBondContact O-OD1 3.14Å; N127-S129 PolarHBondContact O-N 3.18Å; N127-K130 PolarHBondContact O-N 3.21Å
128	R	89.1	Confident	85.8	Confident	97 Å²	97	70.3 Å²	70.3	37%	0.366	34%	0.34	S	S	.	.	H	α-helix	trans	-57.5	-30.8	-178.5	-167	173	179.7	-171	-5.3	112.2	S124 R125 C126 K130 Y131 I132 D171 A174	S124-R128 PolarHBondContact O-N 2.94Å; R125-R128 VanDerWaalsContact O-CB 3.31Å; R125-R128 WeakPolarHBondContact O-CB 3.27Å; R125-R128 PolarHBondContact O-N 3.1Å; C126-R128 PolarHBondContact O-N 3.36Å; R128-K130 PolarHBondContact O-N 2.81Å; R128-Y131 PolarHBondContact O-N 2.81Å; R128-I132 HydrophobicContact CG-CB 4.2Å; R128-I132 HydrophobicContact CG-CD1 4.2Å; R128-I132 HydrophobicContact CG-CG1 4.37Å; R128-I132 VanDerWaalsContact O-CB 3.25Å; R128-I132 WeakPolarHBondContact O-CB 3.33Å; R128-I132 PolarHBondContact O-N 3.44Å; R128-D171 IonicContact CZ-OD1 3.07Å; R128-D171 IonicContact NH1-OD1 3.72Å; R128-D171 PolarHBondContact NH1-OD1 3.13Å; R128-D171 VanDerWaalsContact NH2-CG 3.33Å; R128-D171 IonicContact NH2-OD1 3.34Å; R128-D171 PolarHBondContact NH2-OD1 3.38Å; R128-D171 IonicContact NH2-OD2 2.97Å; R128-A174 HydrophobicContact CB-CB 4.32Å; R128-A174 HydrophobicContact CG-CB 4.23Å
129	S	83.7	Confident	85.1	Confident	5 Å²	5	69.9 Å²	69.9	4%	0.035	34%	0.337	C	S	.	.	H	α-helix	trans	-58.1	-22.2	179.5	68.4	0	0	0	0	114.6	N127 A174 A188	N127-S129 PolarHBondContact O-N 3.18Å; S129-A174 WeakPolarHBondContact CB-O 3.41Å; S129-A188 WeakPolarHBondContact OG-CB 3.44Å
130	K	81.1	Confident	83.8	Confident	47 Å²	47	71.8 Å²	71.8	20%	0.204	35%	0.351	C	S	.	.	H	α-helix	trans	-82.3	-35.4	-177.2	-67.7	-177.4	178.7	-177.4	0	114	T83 V85 S112 N113 N127 R128	T83-K130 VanDerWaalsContact OG1-CE 3.31Å; T83-K130 WeakPolarHBondContact OG1-CE 3.27Å; V85-K130 HydrophobicContact CG1-CG 4.4Å; S112-K130 WeakPolarHBondContact OG-CE 3.27Å; S112-K130 PolarHBondContact OG-NZ 3.39Å; N113-K130 PolarHBondContact ND2-NZ 2.88Å; N113-K130 VanDerWaalsContact ND2-NZ 3.16Å; N113-K130 PolarHBondContact OD1-NZ 2.82Å; N127-K130 PolarHBondContact O-N 3.21Å; R128-K130 PolarHBondContact O-N 2.81Å
131	Y	80.9	Confident	82.2	Confident	193 Å²	193	68.7 Å²	68.7	76%	0.757	35%	0.347	S	S	*	.	H	α-helix	trans	-128.4	13.6	-166.6	-47.5	-70.6	0	0	0	112	R128 N133	R128-Y131 PolarHBondContact O-N 2.81Å; Y131-N133 PolarHBondContact O-N 3.13Å
132	I	83.8	Confident	80.6	Confident	22 Å²	22	65.5 Å²	65.5	11%	0.113	34%	0.337	C	S	.	.	P	Polyproline II helix	trans	-67.7	124.6	179.5	-169.1	166.1	0	0	0	109.6	R128 I134 D171 A174 I175	R128-I132 HydrophobicContact CG-CB 4.2Å; R128-I132 HydrophobicContact CG-CD1 4.2Å; R128-I132 HydrophobicContact CG-CG1 4.37Å; R128-I132 VanDerWaalsContact O-CB 3.25Å; R128-I132 WeakPolarHBondContact O-CB 3.33Å; R128-I132 PolarHBondContact O-N 3.44Å; I132-I134 HydrophobicContact CD1-CG1 3.98Å; I132-I134 HydrophobicContact CG1-CG1 3.89Å; I132-I134 HydrophobicContact CG2-CG1 4.43Å; I132-D171 HydrophobicContact CD1-CB 3.82Å; I132-A174 HydrophobicContact CD1-CB 3.86Å; I132-I175 HydrophobicContact CG2-CG2 3.66Å
133	N	81.6	Confident	79	Confident	110 Å²	110	69.4 Å²	69.4	59%	0.588	36%	0.359	S	S	*	.	P	Polyproline II helix	trans	-94.7	120.5	159.1	-164.3	25.2	0	0	0	107.4	Y131 E135	Y131-N133 PolarHBondContact O-N 3.13Å; N133-E135 PolarHBondContact ND2-OE1 2.86Å
134	I	85.5	Confident	77.5	Confident	9 Å²	9	79.7 Å²	79.7	5%	0.046	39%	0.393	C	S	.	.	P	Polyproline II helix	trans	-97.9	126	176.6	-57.5	177.8	0	0	0	106.8	H89 V91 I132 F167 D171 I175 L237	H89-I134 HydrophobicContact CB-CD1 4.37Å; V91-I134 WeakPolarHBondContact CG1-O 3.3Å; V91-I134 HydrophobicContact CG2-CB 3.68Å; V91-I134 HydrophobicContact CG2-CG2 3.61Å; I132-I134 HydrophobicContact CD1-CG1 3.98Å; I132-I134 HydrophobicContact CG1-CG1 3.89Å; I132-I134 HydrophobicContact CG2-CG1 4.43Å; I134-F167 HydrophobicContact CG2-CD1 3.78Å; I134-F167 HydrophobicContact CG2-CE1 4.07Å; I134-D171 HydrophobicContact CG1-CB 4.47Å; I134-I175 HydrophobicContact CD1-CD1 3.81Å; I134-I175 HydrophobicContact CD1-CG1 4.42Å; I134-I175 HydrophobicContact CD1-CG2 3.96Å; I134-L237 HydrophobicContact CD1-CD2 4.06Å
135	E	85.4	Confident	75.9	Confident	115 Å²	115	85.1 Å²	85.1	54%	0.537	41%	0.407	S	S	.	.			trans	-122.7	152.1	-178	-67.6	170.4	-166.1	0	0	109.7	N133 N137	N133-E135 PolarHBondContact ND2-OE1 2.86Å; E135-N137 PolarHBondContact O-ND2 3.08Å; E135-N137 VanDerWaalsContact O-ND2 3.15Å
136	F	85.2	Confident	74.6	Confident	23 Å²	23	84.5 Å²	84.5	10%	0.101	41%	0.411	C	S	.	.			trans	-65	137	167.6	-66.6	-66.1	0	0	0	109.9	V91 D93 F165 F167 R233 C235	V91-F136 HydrophobicContact CB-CE2 4.36Å; V91-F136 HydrophobicContact CB-CZ 4.24Å; V91-F136 HydrophobicContact CG1-CD1 4.37Å; V91-F136 HydrophobicContact CG1-CD2 3.85Å; V91-F136 HydrophobicContact CG1-CE1 4.27Å; V91-F136 HydrophobicContact CG1-CE2 3.73Å; V91-F136 HydrophobicContact CG1-CG 4.18Å; V91-F136 HydrophobicContact CG1-CZ 3.94Å; D93-F136 WeakPolarHBondContact OD1-CD2 3.42Å; F136-F165 HydrophobicContact CD1-CB 3.85Å; F136-F165 HydrophobicContact CE1-CB 3.81Å; F136-F167 AromaticContact CD1-CE1 3.61Å; F136-F167 HydrophobicContact CD1-CE1 3.61Å; F136-F167 AromaticContact CD1-CZ 3.77Å; F136-F167 HydrophobicContact CD1-CZ 3.77Å; F136-F167 AromaticContact CE1-CE1 3.69Å; F136-F167 HydrophobicContact CE1-CE1 3.69Å; F136-F167 HydrophobicContact CE1-CE2 4.37Å; F136-F167 AromaticContact CE1-CZ 3.37Å; F136-F167 HydrophobicContact CE1-CZ 3.37Å; F136-F167 HydrophobicContact CG-CE1 4.44Å; F136-F167 HydrophobicContact CZ-CZ 4.21Å; F136-R233 VanDerWaalsContact CB-NH2 3.26Å; F136-R233 HydrophobicContact CD2-CB 4.26Å; F136-R233 HydrophobicContact CE1-CB 4.15Å; F136-R233 HydrophobicContact CE2-CB 3.57Å; F136-R233 WeakPolarHBondContact CE2-O 3.4Å; F136-R233 HydrophobicContact CZ-CB 3.51Å; F136-C235 HydrophobicContact CE1-CB 4.18Å; F136-C235 WeakPolarHBondContact CE1-SG 3.32Å; F136-C235 HydrophobicContact CZ-CB 3.99Å; F136-C235 VanDerWaalsContact CZ-SG 3.51Å
137	N	81.3	Confident	73.4	Confident	31 Å²	31	92.3 Å²	92.3	17%	0.166	45%	0.445	C	S	.	.			trans	-106.9	111.1	173.2	-63.5	-100.5	0	0	0	108.3	E135 L139 Y154 H166 K168	E135-N137 PolarHBondContact O-ND2 3.08Å; E135-N137 VanDerWaalsContact O-ND2 3.15Å; N137-L139 HydrophobicContact CB-CD2 4.5Å; N137-L139 PolarHBondContact O-N 3.15Å; N137-Y154 HydrophobicContact CB-CD1 4.33Å; N137-Y154 HydrophobicContact CB-CE1 3.8Å; N137-H166 HydrophobicContact CB-CB 4.36Å; N137-H166 PolarHBondContact N-O 3.3Å; N137-H166 PolarHBondContact ND2-O 3.21Å; N137-H166 WeakPolarHBondContact O-CB 3.14Å; N137-H166 PolarHBondContact O-CD2 2.92Å; N137-H166 VanDerWaalsContact O-CD2 3.25Å; N137-K168 VanDerWaalsContact OD1-CE 3.3Å; N137-K168 WeakPolarHBondContact OD1-CE 3.32Å
138	D	74.8	Confident	72.2	Confident	102 Å²	102	95.9 Å²	95.9	55%	0.545	46%	0.464	S	S	.	.			trans	-81.8	102.6	175.4	-67.5	-31.9	0	0	0	109.6	S140 R233	D138-S140 VanDerWaalsContact C-N 3.26Å; D138-S140 PolarHBondContact O-N 2.92Å; D138-R233 IonicContact OD1-CZ 2.73Å; D138-R233 VanDerWaalsContact OD1-CZ 3.28Å; D138-R233 IonicContact OD1-NH1 3.57Å; D138-R233 PolarHBondContact OD1-NH1 2.98Å; D138-R233 IonicContact OD1-NH2 3.07Å; D138-R233 PolarHBondContact OD1-NH2 3.19Å; D138-R233 IonicContact OD2-NH2 3.29Å; D138-R233 PolarHBondContact OD2-NH2 3.35Å
139	L	71.2	Confident	71.2	Confident	21 Å²	21	95.4 Å²	95.4	11%	0.11	47%	0.468	C	S	.	.			trans	-91.1	18	-177.4	-60.2	173.3	0	0	0	112.4	N137 T141 L142 L150 Y154 H166	N137-L139 HydrophobicContact CB-CD2 4.5Å; N137-L139 PolarHBondContact O-N 3.15Å; L139-T141 PolarHBondContact O-N 3.42Å; L139-T141 VanDerWaalsContact O-N 3.09Å; L139-L142 PolarHBondContact O-N 3.46Å; L139-L150 HydrophobicContact CB-CD1 4.44Å; L139-L150 HydrophobicContact CD1-CD1 3.64Å; L139-L150 HydrophobicContact CD1-CD2 4.24Å; L139-L150 HydrophobicContact CD1-CG 3.98Å; L139-L150 HydrophobicContact CG-CD1 4.43Å; L139-Y154 HydrophobicContact CD1-CD1 3.74Å; L139-Y154 HydrophobicContact CD1-CD2 3.89Å; L139-Y154 HydrophobicContact CD1-CE1 4.04Å; L139-Y154 HydrophobicContact CD1-CE2 4.23Å; L139-Y154 HydrophobicContact CD1-CG 3.64Å; L139-Y154 HydrophobicContact CD2-CE1 4.07Å; L139-Y154 HydrophobicContact CD2-CE2 4.28Å; L139-H166 HydrophobicContact CD1-CB 3.64Å; L139-H166 VanDerWaalsContact CD1-CG 3.47Å; L139-H166 HydrophobicContact CG-CB 4.17Å
140	S	63.8	Low	70.4	Confident	114 Å²	114	96.9 Å²	96.9	80%	0.797	48%	0.475	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.5	-23.9	-178	55.9	0	0	0	0	113.5	D138	D138-S140 VanDerWaalsContact C-N 3.26Å; D138-S140 PolarHBondContact O-N 2.92Å
141	T	55.8	Low	69.8	Low	124 Å²	124	98.6 Å²	98.6	76%	0.761	49%	0.493	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.9	-8.4	178.5	55.7	0	0	0	0	114.1	L139 D143	L139-T141 PolarHBondContact O-N 3.42Å; L139-T141 VanDerWaalsContact O-N 3.09Å; T141-D143 PolarHBondContact O-N 3.28Å
142	L	55.4	Low	69.4	Low	87 Å²	87	97.3 Å²	97.3	46%	0.455	49%	0.491	S	S	.	.	S	Bend	trans	-81.4	110.9	-176	-128.3	87.6	0	0	0	110.5	L139 L150	L139-L142 PolarHBondContact O-N 3.46Å; L142-L150 HydrophobicContact CB-CD1 4.42Å; L142-L150 HydrophobicContact CD2-CD1 3.45Å; L142-L150 VanDerWaalsContact CD2-CD1 3.45Å
143	D	54.7	Low	69.3	Low	119 Å²	119	101.5 Å²	101.5	64%	0.636	51%	0.51	S	S	*	.			trans	-51.3	136.5	-177	-157.1	1.3	0	0	0	112.2	T141 K145 N146	T141-D143 PolarHBondContact O-N 3.28Å; D143-K145 PolarHBondContact O-N 3.15Å; D143-N146 PolarHBondContact O-N 3.07Å
144	R	56	Low	69.4	Low	237 Å²	237	98.1 Å²	98.1	89%	0.894	49%	0.49	S	S	*	.	G	3₁₀ helix	trans	-56	-16.7	-168.7	-137.7	178.3	-162.7	179.1	5	113.8	N146	R144-N146 VanDerWaalsContact C-N 3.27Å; R144-N146 PolarHBondContact O-N 3.44Å
145	K	56.3	Low	69.2	Low	185 Å²	185	100.7 Å²	100.7	80%	0.804	50%	0.503	S	S	*	.	G	3₁₀ helix	trans	-65.9	-18	-179.6	-78.6	-179.7	175.4	173.3	0	114.8	D143	D143-K145 PolarHBondContact O-N 3.15Å
146	N	62.5	Low	68.9	Low	78 Å²	78	97.9 Å²	97.9	42%	0.417	50%	0.496	S	S	.	.	G	3₁₀ helix	trans	-106.7	23.3	-174.1	-75.1	-16.7	0	0	0	115.2	D143 R144 D148 I149 L150	D143-N146 PolarHBondContact O-N 3.07Å; R144-N146 VanDerWaalsContact C-N 3.27Å; R144-N146 PolarHBondContact O-N 3.44Å; N146-D148 PolarHBondContact O-N 2.89Å; N146-D148 VanDerWaalsContact O-N 3.11Å; N146-I149 HydrophobicContact CB-CB 4.47Å; N146-I149 HydrophobicContact CB-CD1 4.45Å; N146-I149 PolarHBondContact O-N 2.91Å; N146-L150 PolarHBondContact O-N 3.12Å
147	K	64.4	Low	68.5	Low	165 Å²	165	97.6 Å²	97.6	72%	0.717	50%	0.5	S	S	*	.	H	α-helix	trans	-52.1	-37.4	-175.8	-163.3	176.1	-178.4	-180	0	114	L150 S151	K147-L150 WeakPolarHBondContact O-CB 3.4Å; K147-L150 PolarHBondContact O-N 2.83Å; K147-S151 PolarHBondContact O-N 3.44Å; K147-S151 VanDerWaalsContact O-N 3.12Å
148	D	64.5	Low	67.9	Low	129 Å²	129	101.7 Å²	101.7	69%	0.69	52%	0.52	S	S	*	.	H	α-helix	trans	-69.3	-39	178.9	-70.5	-10	0	0	0	112.7	N146 S151	N146-D148 PolarHBondContact O-N 2.89Å; N146-D148 VanDerWaalsContact O-N 3.11Å; D148-S151 PolarHBondContact O-N 3.35Å; D148-S151 PolarHBondContact O-OG 3.27Å
149	I	66.7	Low	67.5	Low	87 Å²	87	97.2 Å²	97.2	45%	0.446	50%	0.496	S	S	.	.	H	α-helix	trans	-67.6	-42.8	175.9	-60.4	174.2	0	0	0	109.3	N146 S151 K152 E153	N146-I149 HydrophobicContact CB-CB 4.47Å; N146-I149 HydrophobicContact CB-CD1 4.45Å; N146-I149 PolarHBondContact O-N 2.91Å; I149-S151 VanDerWaalsContact C-N 3.28Å; I149-S151 PolarHBondContact O-N 3Å; I149-K152 PolarHBondContact O-N 2.97Å; I149-K152 VanDerWaalsContact O-N 3.13Å; I149-E153 PolarHBondContact O-N 2.85Å
150	L	68.2	Low	67	Low	37 Å²	37	100.4 Å²	100.4	19%	0.194	52%	0.521	C	S	.	.	H	α-helix	trans	-54.5	-45	177.2	-150.5	89.2	0	0	0	111.6	L139 L142 N146 K147 K152 E153 Y154	L139-L150 HydrophobicContact CB-CD1 4.44Å; L139-L150 HydrophobicContact CD1-CD1 3.64Å; L139-L150 HydrophobicContact CD1-CD2 4.24Å; L139-L150 HydrophobicContact CD1-CG 3.98Å; L139-L150 HydrophobicContact CG-CD1 4.43Å; L142-L150 HydrophobicContact CB-CD1 4.42Å; L142-L150 HydrophobicContact CD2-CD1 3.45Å; L142-L150 VanDerWaalsContact CD2-CD1 3.45Å; N146-L150 PolarHBondContact O-N 3.12Å; K147-L150 WeakPolarHBondContact O-CB 3.4Å; K147-L150 PolarHBondContact O-N 2.83Å; L150-K152 VanDerWaalsContact C-N 3.27Å; L150-K152 PolarHBondContact O-N 3.47Å; L150-E153 PolarHBondContact O-N 3.24Å; L150-Y154 HydrophobicContact CD1-CD2 4.49Å; L150-Y154 HydrophobicContact CG-CD2 4.48Å; L150-Y154 WeakPolarHBondContact O-CB 3.33Å; L150-Y154 PolarHBondContact O-N 3.11Å
151	S	68.4	Low	66.7	Low	82 Å²	82	101 Å²	101	57%	0.573	52%	0.515	S	S	*	.	H	α-helix	trans	-66.5	-24.5	-177.7	73.9	0	0	0	0	114.5	K147 D148 I149	K147-S151 PolarHBondContact O-N 3.44Å; K147-S151 VanDerWaalsContact O-N 3.12Å; D148-S151 PolarHBondContact O-N 3.35Å; D148-S151 PolarHBondContact O-OG 3.27Å; I149-S151 VanDerWaalsContact C-N 3.28Å; I149-S151 PolarHBondContact O-N 3Å
152	K	72.2	Confident	67	Low	166 Å²	166	102.8 Å²	102.8	72%	0.722	51%	0.512	S	S	*	.	H	α-helix	trans	-85.2	-37.4	178.6	-70.6	179.1	179.8	173.9	0	111.6	I149 L150 T169	I149-K152 PolarHBondContact O-N 2.97Å; I149-K152 VanDerWaalsContact O-N 3.13Å; L150-K152 VanDerWaalsContact C-N 3.27Å; L150-K152 PolarHBondContact O-N 3.47Å; K152-T169 PolarHBondContact O-OG1 3.27Å
153	E	82.5	Confident	67.5	Low	110 Å²	110	101.4 Å²	101.4	51%	0.514	51%	0.505	S	S	.	.	H	α-helix	trans	-90.7	-24.3	-174.9	-67.2	-174.1	172.2	0	0	113.6	I149 L150 K168 T169	I149-E153 PolarHBondContact O-N 2.85Å; L150-E153 PolarHBondContact O-N 3.24Å; E153-K168 CarbonylContact O-C 3.6Å; E153-K168 WeakPolarHBondContact O-CA 3.42Å; E153-T169 VanDerWaalsContact C-OG1 3.28Å; E153-T169 PolarHBondContact O-N 3.46Å; E153-T169 PolarHBondContact O-OG1 2.94Å
154	Y	83.4	Confident	68.5	Low	39 Å²	39	99.7 Å²	99.7	15%	0.153	50%	0.495	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	132.9	-174.4	-63.3	-93.1	0	0	0	113.1	N137 L139 L150 H166 F167 K168	N137-Y154 HydrophobicContact CB-CD1 4.33Å; N137-Y154 HydrophobicContact CB-CE1 3.8Å; L139-Y154 HydrophobicContact CD1-CD1 3.74Å; L139-Y154 HydrophobicContact CD1-CD2 3.89Å; L139-Y154 HydrophobicContact CD1-CE1 4.04Å; L139-Y154 HydrophobicContact CD1-CE2 4.23Å; L139-Y154 HydrophobicContact CD1-CG 3.64Å; L139-Y154 HydrophobicContact CD2-CE1 4.07Å; L139-Y154 HydrophobicContact CD2-CE2 4.28Å; L150-Y154 HydrophobicContact CD1-CD2 4.49Å; L150-Y154 HydrophobicContact CG-CD2 4.48Å; L150-Y154 WeakPolarHBondContact O-CB 3.33Å; L150-Y154 PolarHBondContact O-N 3.11Å; Y154-H166 HydrophobicContact CD1-CB 4.1Å; Y154-F167 CarbonylContact C-O 3.54Å; Y154-F167 VanDerWaalsContact CA-O 3.27Å; Y154-F167 WeakPolarHBondContact CA-O 3.07Å; Y154-K168 HydrophobicContact CD1-CG 4.02Å; Y154-K168 HydrophobicContact CE1-CG 3.51Å
155	I	81.3	Confident	69.6	Low	63 Å²	63	89.4 Å²	89.4	32%	0.323	46%	0.457	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	117.9	163	-54.3	-167.2	0	0	0	107.3	H166 F167 I172 I222	I155-H166 WeakPolarHBondContact O-CA 3.32Å; I155-F167 PolarHBondContact N-O 3.26Å; I155-F167 PolarHBondContact O-N 3.42Å; I155-I172 HydrophobicContact CD1-CB 4.17Å; I155-I172 HydrophobicContact CD1-CG1 3.89Å; I155-I172 HydrophobicContact CD1-CG2 4.04Å; I155-I172 HydrophobicContact CG1-CG1 4.48Å; I155-I222 HydrophobicContact CG2-CD1 4.15Å
156	S	79.4	Confident	70.9	Confident	56 Å²	56	81.3 Å²	81.3	39%	0.392	42%	0.422	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	142.5	-175.9	-49.6	0	0	0	0	110.2	F165 H166	S156-F165 VanDerWaalsContact CA-O 3.3Å; S156-F165 WeakPolarHBondContact CA-O 3.38Å; S156-H166 VanDerWaalsContact CB-ND1 3.29Å; S156-H166 WeakPolarHBondContact CB-ND1 3.3Å; S156-H166 PolarHBondContact OG-ND1 3.49Å
157	G	74.9	Confident	72	Confident	18 Å²	18	77.6 Å²	77.6	19%	0.186	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	168.7	172.2	0	0	0	0	0	111.8	L164 F165	G157-L164 WeakPolarHBondContact O-CA 3.49Å; G157-F165 VanDerWaalsContact C-CD1 3.44Å; G157-F165 PolarHBondContact N-O 3.45Å; G157-F165 WeakPolarHBondContact O-CD1 3.06Å; G157-F165 PolarHBondContact O-N 2.89Å
158	I	70.1	Confident	73.1	Confident	117 Å²	117	73.4 Å²	73.4	60%	0.6	38%	0.383	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-112.2	124.9	180	-62.4	165.5	0	0	0	107.9	L164	I158-L164 HydrophobicContact CD1-CD2 4.35Å; I158-L164 HydrophobicContact CG1-CD2 3.49Å; I158-L164 VanDerWaalsContact CG1-CD2 3.49Å; I158-L164 HydrophobicContact CG1-CG 4.41Å
159	I	65.8	Low	74.1	Confident	8 Å²	8	69.8 Å²	69.8	4%	0.041	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	143.4	163.6	-41.9	177	0	0	0	105.9	I163 F165 C224 L226 R233	I159-I163 HydrophobicContact CB-CB 4.44Å; I159-I163 PolarHBondContact N-O 3.45Å; I159-I163 PolarHBondContact O-N 3.33Å; I159-I163 VanDerWaalsContact O-N 3.16Å; I159-F165 HydrophobicContact CD1-CB 4.39Å; I159-F165 HydrophobicContact CD1-CD1 4Å; I159-F165 HydrophobicContact CG1-CD1 3.59Å; I159-F165 HydrophobicContact CG1-CE1 4.12Å; I159-C224 HydrophobicContact CD1-CB 3.62Å; I159-C224 HydrophobicContact CG1-CB 3.71Å; I159-L226 HydrophobicContact CG2-CD1 4.3Å; I159-L226 HydrophobicContact CG2-CD2 4.08Å; I159-L226 HydrophobicContact CG2-CG 3.72Å; I159-R233 HydrophobicContact CD1-CB 3.91Å; I159-R233 HydrophobicContact CD1-CG 3.84Å
160	S	59.8	Low	74.9	Confident	88 Å²	88	68.3 Å²	68.3	62%	0.615	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-24.3	135.4	-177.5	-58.1	0	0	0	0	115.1
161	N	58.3	Low	75.9	Confident	127 Å²	127	66.9 Å²	66.9	68%	0.679	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.8	48.1	-178.8	-58.7	5.4	0	0	0	114.3	I163	N161-I163 PolarHBondContact O-N 3.36Å; N161-I163 VanDerWaalsContact O-N 3.08Å
162	K	62.4	Low	76.9	Confident	160 Å²	160	63.7 Å²	63.7	70%	0.696	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.3	10.2	171.8	-59.3	178.7	-178.5	170.6	0	116.1	L164	K162-L164 PolarHBondContact O-N 3.04Å; K162-L164 VanDerWaalsContact O-N 3.09Å
163	I	67	Low	77.5	Confident	59 Å²	59	60.6 Å²	60.6	30%	0.303	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	109.2	174.5	-66.1	171.9	0	0	0	108.7	I159 N161 L226 R233	I159-I163 HydrophobicContact CB-CB 4.44Å; I159-I163 PolarHBondContact N-O 3.45Å; I159-I163 PolarHBondContact O-N 3.33Å; I159-I163 VanDerWaalsContact O-N 3.16Å; N161-I163 PolarHBondContact O-N 3.36Å; N161-I163 VanDerWaalsContact O-N 3.08Å; I163-L226 HydrophobicContact CD1-CD1 3.68Å; I163-L226 HydrophobicContact CD1-CD2 3.79Å; I163-L226 HydrophobicContact CD1-CG 4.39Å; I163-L226 HydrophobicContact CG2-CD2 4.25Å; I163-R233 HydrophobicContact CG2-CG 3.91Å
164	L	74.3	Confident	77.8	Confident	83 Å²	83	55.6 Å²	55.6	44%	0.435	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	146.4	-179.6	-70.6	159.5	0	0	0	110.8	G157 I158 K162 R233	G157-L164 WeakPolarHBondContact O-CA 3.49Å; I158-L164 HydrophobicContact CD1-CD2 4.35Å; I158-L164 HydrophobicContact CG1-CD2 3.49Å; I158-L164 VanDerWaalsContact CG1-CD2 3.49Å; I158-L164 HydrophobicContact CG1-CG 4.41Å; K162-L164 PolarHBondContact O-N 3.04Å; K162-L164 VanDerWaalsContact O-N 3.09Å; L164-R233 PolarHBondContact O-NH1 2.94Å
165	F	79.9	Confident	78	Confident	20 Å²	20	54 Å²	54	9%	0.088	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	145	162.9	69.2	-89.3	0	0	0	109.2	F136 S156 G157 I159 F167 I222 C224	F136-F165 HydrophobicContact CD1-CB 3.85Å; F136-F165 HydrophobicContact CE1-CB 3.81Å; S156-F165 VanDerWaalsContact CA-O 3.3Å; S156-F165 WeakPolarHBondContact CA-O 3.38Å; G157-F165 VanDerWaalsContact C-CD1 3.44Å; G157-F165 PolarHBondContact N-O 3.45Å; G157-F165 WeakPolarHBondContact O-CD1 3.06Å; G157-F165 PolarHBondContact O-N 2.89Å; I159-F165 HydrophobicContact CD1-CB 4.39Å; I159-F165 HydrophobicContact CD1-CD1 4Å; I159-F165 HydrophobicContact CG1-CD1 3.59Å; I159-F165 HydrophobicContact CG1-CE1 4.12Å; F165-F167 AromaticContact CD2-CD2 3.63Å; F165-F167 HydrophobicContact CD2-CD2 3.63Å; F165-F167 AromaticContact CD2-CE2 3.37Å; F165-F167 HydrophobicContact CD2-CE2 3.37Å; F165-F167 HydrophobicContact CD2-CZ 4.12Å; F165-F167 AromaticContact CE2-CD2 3.81Å; F165-F167 HydrophobicContact CE2-CD2 3.81Å; F165-F167 AromaticContact CE2-CE2 3.65Å; F165-F167 HydrophobicContact CE2-CE2 3.65Å; F165-F167 HydrophobicContact CG-CE2 4.4Å; F165-I222 HydrophobicContact CE2-CG2 3.9Å; F165-I222 HydrophobicContact CZ-CG2 4.08Å; F165-C224 HydrophobicContact CD1-CB 4.4Å; F165-C224 HydrophobicContact CE1-CB 4.19Å
166	H	83.8	Confident	78.3	Confident	16 Å²	16	52 Å²	52	7%	0.074	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	126.3	175	-49.8	-86.3	0	0	0	110.6	N137 L139 Y154 I155 S156	N137-H166 HydrophobicContact CB-CB 4.36Å; N137-H166 PolarHBondContact N-O 3.3Å; N137-H166 PolarHBondContact ND2-O 3.21Å; N137-H166 WeakPolarHBondContact O-CB 3.14Å; N137-H166 PolarHBondContact O-CD2 2.92Å; N137-H166 VanDerWaalsContact O-CD2 3.25Å; L139-H166 HydrophobicContact CD1-CB 3.64Å; L139-H166 VanDerWaalsContact CD1-CG 3.47Å; L139-H166 HydrophobicContact CG-CB 4.17Å; Y154-H166 HydrophobicContact CD1-CB 4.1Å; I155-H166 WeakPolarHBondContact O-CA 3.32Å; S156-H166 VanDerWaalsContact CB-ND1 3.29Å; S156-H166 WeakPolarHBondContact CB-ND1 3.3Å; S156-H166 PolarHBondContact OG-ND1 3.49Å
167	F	85.9	Confident	78.7	Confident	0 Å²	0	49.5 Å²	49.5	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	138.3	172.2	-63.4	-55	0	0	0	109.9	V91 I134 F136 Y154 I155 F165 T169 I172 I222 C235 L237	V91-F167 HydrophobicContact CB-CE1 4.1Å; V91-F167 HydrophobicContact CB-CZ 4.23Å; V91-F167 HydrophobicContact CG1-CE1 3.79Å; V91-F167 HydrophobicContact CG1-CZ 4.32Å; V91-F167 HydrophobicContact CG2-CE1 4.12Å; V91-F167 HydrophobicContact CG2-CZ 4.38Å; I134-F167 HydrophobicContact CG2-CD1 3.78Å; I134-F167 HydrophobicContact CG2-CE1 4.07Å; F136-F167 AromaticContact CD1-CE1 3.61Å; F136-F167 HydrophobicContact CD1-CE1 3.61Å; F136-F167 AromaticContact CD1-CZ 3.77Å; F136-F167 HydrophobicContact CD1-CZ 3.77Å; F136-F167 AromaticContact CE1-CE1 3.69Å; F136-F167 HydrophobicContact CE1-CE1 3.69Å; F136-F167 HydrophobicContact CE1-CE2 4.37Å; F136-F167 AromaticContact CE1-CZ 3.37Å; F136-F167 HydrophobicContact CE1-CZ 3.37Å; F136-F167 HydrophobicContact CG-CE1 4.44Å; F136-F167 HydrophobicContact CZ-CZ 4.21Å; Y154-F167 CarbonylContact C-O 3.54Å; Y154-F167 VanDerWaalsContact CA-O 3.27Å; Y154-F167 WeakPolarHBondContact CA-O 3.07Å; I155-F167 PolarHBondContact N-O 3.26Å; I155-F167 PolarHBondContact O-N 3.42Å; F165-F167 AromaticContact CD2-CD2 3.63Å; F165-F167 HydrophobicContact CD2-CD2 3.63Å; F165-F167 AromaticContact CD2-CE2 3.37Å; F165-F167 HydrophobicContact CD2-CE2 3.37Å; F165-F167 HydrophobicContact CD2-CZ 4.12Å; F165-F167 AromaticContact CE2-CD2 3.81Å; F165-F167 HydrophobicContact CE2-CD2 3.81Å; F165-F167 AromaticContact CE2-CE2 3.65Å; F165-F167 HydrophobicContact CE2-CE2 3.65Å; F165-F167 HydrophobicContact CG-CE2 4.4Å; F167-T169 PolarHBondContact O-N 3.22Å; F167-I172 HydrophobicContact CB-CD1 3.98Å; F167-I172 HydrophobicContact CB-CG1 4.14Å; F167-I172 HydrophobicContact CD2-CD1 4.45Å; F167-I172 HydrophobicContact CG-CD1 4.35Å; F167-I222 HydrophobicContact CD2-CD1 4.15Å; F167-I222 HydrophobicContact CD2-CG2 4.38Å; F167-I222 HydrophobicContact CE2-CG2 3.83Å; F167-C235 HydrophobicContact CE2-CB 4.15Å; F167-C235 HydrophobicContact CZ-CB 3.75Å; F167-L237 HydrophobicContact CE2-CD1 4.43Å; F167-L237 HydrophobicContact CZ-CD1 4.29Å
168	K	86.8	Confident	79.3	Confident	76 Å²	76	48.8 Å²	48.8	33%	0.33	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.4	132.2	173.4	-68	171.4	-179.1	161.7	0	109.6	N137 E153 Y154 S170 D171 I172	N137-K168 VanDerWaalsContact OD1-CE 3.3Å; N137-K168 WeakPolarHBondContact OD1-CE 3.32Å; E153-K168 CarbonylContact O-C 3.6Å; E153-K168 WeakPolarHBondContact O-CA 3.42Å; Y154-K168 HydrophobicContact CD1-CG 4.02Å; Y154-K168 HydrophobicContact CE1-CG 3.51Å; K168-S170 PolarHBondContact O-N 2.94Å; K168-S170 VanDerWaalsContact O-N 3.14Å; K168-D171 HydrophobicContact CB-CB 4.31Å; K168-D171 WeakPolarHBondContact O-CB 3.19Å; K168-D171 PolarHBondContact O-N 3.32Å; K168-I172 PolarHBondContact O-N 3.39Å
169	T	84.3	Confident	80.1	Confident	53 Å²	53	43.2 Å²	43.2	33%	0.325	23%	0.226	S	C	.	.	H	α-helix	trans	-56.7	-31.5	174.9	-53.2	0	0	0	0	111.3	K152 E153 F167 D171 R173	K152-T169 PolarHBondContact O-OG1 3.27Å; E153-T169 VanDerWaalsContact C-OG1 3.28Å; E153-T169 PolarHBondContact O-N 3.46Å; E153-T169 PolarHBondContact O-OG1 2.94Å; F167-T169 PolarHBondContact O-N 3.22Å; T169-D171 VanDerWaalsContact C-N 3.26Å; T169-D171 PolarHBondContact O-N 2.76Å; T169-R173 WeakPolarHBondContact O-CB 3.2Å; T169-R173 PolarHBondContact O-N 2.83Å
170	S	85.4	Confident	81	Confident	56 Å²	56	42.8 Å²	42.8	39%	0.392	22%	0.224	S	C	.	.	H	α-helix	trans	-62	-31.8	174.3	59.3	0	0	0	0	113.8	K168 A174	K168-S170 PolarHBondContact O-N 2.94Å; K168-S170 VanDerWaalsContact O-N 3.14Å; S170-A174 WeakPolarHBondContact O-CB 3.22Å; S170-A174 PolarHBondContact O-N 3.49Å; S170-A174 VanDerWaalsContact O-N 3.15Å
171	D	89.2	Confident	81.8	Confident	7 Å²	7	42.7 Å²	42.7	4%	0.037	22%	0.216	C	C	.	.	H	α-helix	trans	-82.4	-42.6	-173.5	-60.5	1.3	0	0	0	108.8	R128 I132 I134 K168 T169 R173 A174 I175	R128-D171 IonicContact CZ-OD1 3.07Å; R128-D171 IonicContact NH1-OD1 3.72Å; R128-D171 PolarHBondContact NH1-OD1 3.13Å; R128-D171 VanDerWaalsContact NH2-CG 3.33Å; R128-D171 IonicContact NH2-OD1 3.34Å; R128-D171 PolarHBondContact NH2-OD1 3.38Å; R128-D171 IonicContact NH2-OD2 2.97Å; I132-D171 HydrophobicContact CD1-CB 3.82Å; I134-D171 HydrophobicContact CG1-CB 4.47Å; K168-D171 HydrophobicContact CB-CB 4.31Å; K168-D171 WeakPolarHBondContact O-CB 3.19Å; K168-D171 PolarHBondContact O-N 3.32Å; T169-D171 VanDerWaalsContact C-N 3.26Å; T169-D171 PolarHBondContact O-N 2.76Å; D171-R173 VanDerWaalsContact C-N 3.31Å; D171-R173 PolarHBondContact O-N 2.63Å; D171-A174 WeakPolarHBondContact O-CB 3.09Å; D171-A174 PolarHBondContact O-N 2.98Å; D171-A174 VanDerWaalsContact O-N 3.07Å; D171-I175 PolarHBondContact O-N 3.35Å
172	I	87.6	Confident	82.6	Confident	15 Å²	15	44.4 Å²	44.4	8%	0.077	22%	0.217	C	C	.	.	H	α-helix	trans	-59.2	-43.1	170.8	-55.4	-58.8	0	0	0	111.2	I155 F167 K168 A174 I175 A176 V220 I222 L237	I155-I172 HydrophobicContact CD1-CB 4.17Å; I155-I172 HydrophobicContact CD1-CG1 3.89Å; I155-I172 HydrophobicContact CD1-CG2 4.04Å; I155-I172 HydrophobicContact CG1-CG1 4.48Å; F167-I172 HydrophobicContact CB-CD1 3.98Å; F167-I172 HydrophobicContact CB-CG1 4.14Å; F167-I172 HydrophobicContact CD2-CD1 4.45Å; F167-I172 HydrophobicContact CG-CD1 4.35Å; K168-I172 PolarHBondContact O-N 3.39Å; I172-A174 VanDerWaalsContact C-N 3.28Å; I172-A174 PolarHBondContact O-N 3.33Å; I172-I175 VanDerWaalsContact O-CG1 3.28Å; I172-I175 WeakPolarHBondContact O-CG1 3.39Å; I172-I175 PolarHBondContact O-N 3.43Å; I172-A176 WeakPolarHBondContact O-CB 3.45Å; I172-A176 PolarHBondContact O-N 2.93Å; I172-V220 HydrophobicContact CG2-CB 4.03Å; I172-V220 HydrophobicContact CG2-CG1 4.45Å; I172-V220 HydrophobicContact CG2-CG2 3.96Å; I172-I222 HydrophobicContact CD1-CD1 4.14Å; I172-L237 HydrophobicContact CD1-CD2 3.36Å
173	R	85.7	Confident	83.2	Confident	102 Å²	102	37.8 Å²	37.8	39%	0.385	19%	0.191	S	C	.	.	H	α-helix	trans	-62.5	-34	175.2	176.9	179.7	166.3	148	3.8	112.6	T169 D171 I175 N189 I190 D191	T169-R173 WeakPolarHBondContact O-CB 3.2Å; T169-R173 PolarHBondContact O-N 2.83Å; D171-R173 VanDerWaalsContact C-N 3.31Å; D171-R173 PolarHBondContact O-N 2.63Å; R173-I175 VanDerWaalsContact C-N 3.29Å; R173-I175 PolarHBondContact O-N 3.42Å; R173-N189 WeakPolarHBondContact O-CB 3.36Å; R173-I190 HydrophobicContact CG-CG2 3.86Å; R173-D191 IonicContact CZ-OD2 3.47Å; R173-D191 IonicContact NE-OD2 3.23Å; R173-D191 PolarHBondContact NE-OD2 2.93Å; R173-D191 VanDerWaalsContact NE-OD2 3.07Å; R173-D191 IonicContact NH2-OD1 3.3Å; R173-D191 PolarHBondContact NH2-OD1 3.21Å; R173-D191 IonicContact NH2-OD2 3.28Å; R173-D191 PolarHBondContact NH2-OD2 3.09Å
174	A	88.4	Confident	83.7	Confident	4 Å²	4	35.7 Å²	35.7	3%	0.033	18%	0.18	C	C	.	.	H	α-helix	trans	-71.4	-23.6	-177.6	0	0	0	0	0	113.3	R128 S129 I132 S170 D171 I172 N189	R128-A174 HydrophobicContact CB-CB 4.32Å; R128-A174 HydrophobicContact CG-CB 4.23Å; S129-A174 WeakPolarHBondContact CB-O 3.41Å; I132-A174 HydrophobicContact CD1-CB 3.86Å; S170-A174 WeakPolarHBondContact O-CB 3.22Å; S170-A174 PolarHBondContact O-N 3.49Å; S170-A174 VanDerWaalsContact O-N 3.15Å; D171-A174 WeakPolarHBondContact O-CB 3.09Å; D171-A174 PolarHBondContact O-N 2.98Å; D171-A174 VanDerWaalsContact O-N 3.07Å; I172-A174 VanDerWaalsContact C-N 3.28Å; I172-A174 PolarHBondContact O-N 3.33Å; A174-N189 PolarHBondContact O-ND2 3.09Å; A174-N189 VanDerWaalsContact O-ND2 3.12Å
175	I	87.1	Confident	84.1	Confident	7 Å²	7	34.5 Å²	34.5	4%	0.036	17%	0.17	C	C	.	.	H	α-helix	trans	-102.7	-3.4	179.1	64.1	163.8	0	0	0	114	I132 I134 D171 I172 R173 P177 V220 L237 T239	I132-I175 HydrophobicContact CG2-CG2 3.66Å; I134-I175 HydrophobicContact CD1-CD1 3.81Å; I134-I175 HydrophobicContact CD1-CG1 4.42Å; I134-I175 HydrophobicContact CD1-CG2 3.96Å; D171-I175 PolarHBondContact O-N 3.35Å; I172-I175 VanDerWaalsContact O-CG1 3.28Å; I172-I175 WeakPolarHBondContact O-CG1 3.39Å; I172-I175 PolarHBondContact O-N 3.43Å; R173-I175 VanDerWaalsContact C-N 3.29Å; R173-I175 PolarHBondContact O-N 3.42Å; I175-P177 WeakPolarHBondContact O-CD 3.43Å; I175-V220 HydrophobicContact CD1-CG1 4.07Å; I175-V220 HydrophobicContact CG1-CG2 4.49Å; I175-L237 HydrophobicContact CD1-CB 4.02Å; I175-L237 HydrophobicContact CD1-CD2 3.85Å; I175-T239 VanDerWaalsContact O-CG2 3.31Å; I175-T239 WeakPolarHBondContact O-CG2 3.48Å
176	A	88.3	Confident	84.5	Confident	19 Å²	19	34 Å²	34	16%	0.157	17%	0.168	C	C	.	.			trans	-88.2	105.3	-176.1	0	0	0	0	0	111.3	I172 A188 N189 V220	I172-A176 WeakPolarHBondContact O-CB 3.45Å; I172-A176 PolarHBondContact O-N 2.93Å; A176-A188 CarbonylContact C-O 3.53Å; A176-N189 WeakPolarHBondContact O-CA 3.42Å; A176-V220 HydrophobicContact CB-CG2 3.69Å
177	P	88.8	Confident	84.8	Confident	4 Å²	4	33.3 Å²	33.3	3%	0.026	17%	0.165	C	C	.	.			trans	-69.1	149.3	-179.6	30.4	-35.4	0	0	0	111.1	I175 I186 Y187 T239	I175-P177 WeakPolarHBondContact O-CD 3.43Å; P177-I186 HydrophobicContact CB-CG2 4.4Å; P177-Y187 VanDerWaalsContact CA-O 3.24Å; P177-Y187 WeakPolarHBondContact CA-O 3.42Å; P177-T239 HydrophobicContact CG-CG2 4.13Å
178	V	87.7	Confident	85.1	Confident	3 Å²	3	33.5 Å²	33.5	2%	0.018	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	145.8	176.2	-60.1	0	0	0	0	109.8	Y187 I190 A193 L215 F217	V178-Y187 PolarHBondContact N-O 3.39Å; V178-Y187 PolarHBondContact O-N 3.03Å; V178-I190 HydrophobicContact CG1-CB 4.43Å; V178-A193 HydrophobicContact CG2-CB 3.8Å; V178-L215 HydrophobicContact CG2-CD1 4.35Å; V178-L215 HydrophobicContact CG2-CD2 4.5Å; V178-F217 HydrophobicContact CG1-CD1 3.55Å; V178-F217 HydrophobicContact CG1-CE1 3.68Å; V178-F217 HydrophobicContact CG1-CG 4.39Å
179	V	85.7	Confident	85.2	Confident	0 Å²	0	29.9 Å²	29.9	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	128.7	179	176.2	0	0	0	0	109.1	L181 R185 I186 L215 K216 Y218 L241 Y245	V179-L181 PolarHBondContact O-N 3.25Å; V179-R185 WeakPolarHBondContact CA-O 3.4Å; V179-I186 HydrophobicContact CG2-CG1 4.02Å; V179-L215 CarbonylContact O-C 3.49Å; V179-L215 WeakPolarHBondContact O-CA 3.09Å; V179-K216 HydrophobicContact CB-CB 4.41Å; V179-K216 PolarHBondContact N-O 2.88Å; V179-K216 PolarHBondContact O-N 2.88Å; V179-Y218 HydrophobicContact CB-CE2 4.2Å; V179-Y218 HydrophobicContact CG2-CD2 4.49Å; V179-Y218 HydrophobicContact CG2-CE2 3.69Å; V179-L241 HydrophobicContact CG2-CD1 4.12Å; V179-Y245 HydrophobicContact CG1-CD1 4.32Å; V179-Y245 HydrophobicContact CG1-CE1 3.79Å; V179-Y245 HydrophobicContact CG2-CD1 4.22Å; V179-Y245 HydrophobicContact CG2-CE1 4.45Å; V179-Y245 HydrophobicContact CG2-CG 4.38Å
180	S	83.7	Confident	85.4	Confident	0 Å²	0	28 Å²	28	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	125.5	172.7	171.1	0	0	0	0	110.2	K182 T183 N184 R185 E198	S180-K182 PolarHBondContact O-N 3.49Å; S180-K182 PolarHBondContact OG-N 3.2Å; S180-T183 WeakPolarHBondContact CB-OG1 3.49Å; S180-T183 PolarHBondContact OG-N 2.84Å; S180-T183 VanDerWaalsContact OG-N 3.13Å; S180-T183 PolarHBondContact OG-OG1 3.1Å; S180-T183 VanDerWaalsContact OG-OG1 3.13Å; S180-N184 WeakPolarHBondContact O-CA 3.39Å; S180-N184 PolarHBondContact O-N 2.62Å; S180-R185 PolarHBondContact N-O 3.21Å; S180-E198 VanDerWaalsContact CB-OE2 3.29Å; S180-E198 WeakPolarHBondContact CB-OE2 3.28Å; S180-E198 PolarHBondContact OG-OE2 2.87Å
181	L	78.4	Confident	85.7	Confident	85 Å²	85	25.6 Å²	25.6	45%	0.445	12%	0.121	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-20.3	174.1	-69.3	173.2	0	0	0	112.2	V179 K213 Y214 K216	V179-L181 PolarHBondContact O-N 3.25Å; L181-K213 WeakPolarHBondContact CD1-O 3.49Å; L181-Y214 PolarHBondContact N-O 2.88Å; L181-K216 HydrophobicContact CD2-CB 3.93Å; L181-K216 HydrophobicContact CD2-CD 4.47Å; L181-K216 HydrophobicContact CG-CB 4.31Å
182	K	74.8	Confident	85.8	Confident	163 Å²	163	25.3 Å²	25.3	71%	0.709	12%	0.119	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.5	-44.8	179.1	-175.9	-177.6	176.7	-173.7	0	111.9	S180	S180-K182 PolarHBondContact O-N 3.49Å; S180-K182 PolarHBondContact OG-N 3.2Å
183	T	74.7	Confident	85.9	Confident	22 Å²	22	24.6 Å²	24.6	14%	0.135	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110.8	-9.5	-171.9	61.5	0	0	0	0	113.5	S180 R185	S180-T183 WeakPolarHBondContact CB-OG1 3.49Å; S180-T183 PolarHBondContact OG-N 2.84Å; S180-T183 VanDerWaalsContact OG-N 3.13Å; S180-T183 PolarHBondContact OG-OG1 3.1Å; S180-T183 VanDerWaalsContact OG-OG1 3.13Å; T183-R185 PolarHBondContact O-N 2.84Å; T183-R185 VanDerWaalsContact O-N 3.11Å; T183-R185 WeakPolarHBondContact OG1-CB 3.46Å; T183-R185 WeakPolarHBondContact OG1-CG 3.43Å; T183-R185 PolarHBondContact OG1-N 2.84Å
184	N	77	Confident	86	Confident	15 Å²	15	22.9 Å²	22.9	8%	0.08	11%	0.112	C	C	.	.			trans	54.1	18	-168.9	-81.5	-58.1	0	0	0	114.8	Y67 P68 S180 Y245	Y67-N184 HydrophobicContact CD2-CB 4.07Å; Y67-N184 HydrophobicContact CE2-CB 3.76Å; P68-N184 WeakPolarHBondContact CD-ND2 3.3Å; P68-N184 WeakPolarHBondContact CG-ND2 3.38Å; S180-N184 WeakPolarHBondContact O-CA 3.39Å; S180-N184 PolarHBondContact O-N 2.62Å; N184-Y245 HydrophobicContact CB-CE1 4.49Å; N184-Y245 PolarHBondContact OD1-OH 3.15Å
185	R	83.4	Confident	86	Confident	58 Å²	58	23.6 Å²	23.6	22%	0.219	12%	0.117	C	C	.	.			trans	-72.9	139.7	174.3	-71.4	177.5	174.6	141.6	3.5	111.1	E55 L80 I111 V179 S180 T183 Y187	E55-R185 IonicContact OE2-NE 2.87Å; E55-R185 PolarHBondContact OE2-NE 3.48Å; L80-R185 VanDerWaalsContact CD1-CZ 3.43Å; I111-R185 HydrophobicContact CD1-CB 4.12Å; I111-R185 HydrophobicContact CD1-CG 4.32Å; V179-R185 WeakPolarHBondContact CA-O 3.4Å; S180-R185 PolarHBondContact N-O 3.21Å; T183-R185 PolarHBondContact O-N 2.84Å; T183-R185 VanDerWaalsContact O-N 3.11Å; T183-R185 WeakPolarHBondContact OG1-CB 3.46Å; T183-R185 WeakPolarHBondContact OG1-CG 3.43Å; T183-R185 PolarHBondContact OG1-N 2.84Å; R185-Y187 HydrophobicContact CB-CD2 4.44Å; R185-Y187 HydrophobicContact CB-CE2 3.69Å; R185-Y187 WeakPolarHBondContact O-CD2 3.42Å
186	I	88.3	Confident	86	Confident	10 Å²	10	25.1 Å²	25.1	5%	0.051	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	120.5	176.1	-56.6	149.8	0	0	0	108.1	D54 A110 I111 P177 V179 Y245	D54-I186 HydrophobicContact CB-CD1 3.99Å; A110-I186 HydrophobicContact CB-CG2 3.93Å; I111-I186 PolarHBondContact N-O 3.44Å; P177-I186 HydrophobicContact CB-CG2 4.4Å; V179-I186 HydrophobicContact CG2-CG1 4.02Å; I186-Y245 HydrophobicContact CD1-CD1 4.27Å; I186-Y245 WeakPolarHBondContact CD1-O 3.47Å; I186-Y245 HydrophobicContact CG1-CD1 4.18Å
187	Y	90.6	Very high	85.8	Confident	1 Å²	1	26 Å²	26	0%	0.004	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	140.2	174	-63.2	-88.6	0	0	0	109.2	I111 P177 V178 R185 N189 C192 A193 H196 E198	I111-Y187 HydrophobicContact CB-CD1 3.79Å; I111-Y187 HydrophobicContact CB-CE1 4.08Å; I111-Y187 HydrophobicContact CD1-CD1 4.27Å; I111-Y187 HydrophobicContact CD1-CE1 3.78Å; I111-Y187 HydrophobicContact CG2-CD1 3.95Å; I111-Y187 HydrophobicContact CG2-CE1 4.03Å; P177-Y187 VanDerWaalsContact CA-O 3.24Å; P177-Y187 WeakPolarHBondContact CA-O 3.42Å; V178-Y187 PolarHBondContact N-O 3.39Å; V178-Y187 PolarHBondContact O-N 3.03Å; R185-Y187 HydrophobicContact CB-CD2 4.44Å; R185-Y187 HydrophobicContact CB-CE2 3.69Å; R185-Y187 WeakPolarHBondContact O-CD2 3.42Å; Y187-N189 PolarHBondContact O-N 3.22Å; Y187-C192 HydrophobicContact CD1-CB 4.2Å; Y187-A193 HydrophobicContact CD1-CB 4.25Å; Y187-A193 HydrophobicContact CD2-CB 3.9Å; Y187-A193 HydrophobicContact CE2-CB 4.44Å; Y187-A193 HydrophobicContact CG-CB 3.8Å; Y187-H196 HydrophobicContact CE1-CB 3.71Å; Y187-H196 AromaticContact CE1-CD2 3.64Å; Y187-H196 AromaticContact CE1-CG 3.8Å; Y187-E198 HydrophobicContact CE2-CG 3.81Å; Y187-E198 WeakPolarHBondContact OH-CG 3.47Å; Y187-E198 PolarHBondContact OH-OE1 3.45Å; Y187-E198 VanDerWaalsContact OH-OE1 3.12Å
188	A	90.7	Very high	85.5	Confident	4 Å²	4	27 Å²	27	3%	0.033	14%	0.139	C	C	.	.	S	Bend	trans	-62	-30.5	-176.7	0	0	0	0	0	112.7	V85 A110 I111 S129 A176	V85-A188 HydrophobicContact CG1-CB 4.07Å; V85-A188 HydrophobicContact CG2-CB 4.37Å; A110-A188 HydrophobicContact CB-CB 4.22Å; I111-A188 PolarHBondContact O-N 3.29Å; S129-A188 WeakPolarHBondContact OG-CB 3.44Å; A176-A188 CarbonylContact C-O 3.53Å
189	N	90.5	Very high	84.9	Confident	0 Å²	0	28 Å²	28	0%	0	14%	0.144	C	C	.	.	S	Bend	trans	-155.9	173.5	170.2	54.9	52.8	0	0	0	111	C126 R173 A174 A176 Y187 D191 C192 A193	C126-N189 PolarHBondContact O-ND2 3.16Å; R173-N189 WeakPolarHBondContact O-CB 3.36Å; A174-N189 PolarHBondContact O-ND2 3.09Å; A174-N189 VanDerWaalsContact O-ND2 3.12Å; A176-N189 WeakPolarHBondContact O-CA 3.42Å; Y187-N189 PolarHBondContact O-N 3.22Å; N189-D191 PolarHBondContact O-N 3.44Å; N189-D191 WeakPolarHBondContact OD1-CB 3.23Å; N189-D191 PolarHBondContact OD1-N 3.26Å; N189-D191 VanDerWaalsContact OD1-N 3.11Å; N189-C192 WeakPolarHBondContact O-CB 3.3Å; N189-C192 PolarHBondContact O-N 2.91Å; N189-C192 PolarHBondContact OD1-N 2.84Å; N189-C192 PolarHBondContact OD1-SG 2.91Å; N189-A193 PolarHBondContact O-N 3.06Å
190	I	88.2	Confident	84	Confident	13 Å²	13	35.5 Å²	35.5	7%	0.067	18%	0.177	C	C	.	.	H	α-helix	trans	-59.4	-33.2	177.8	-171.8	179.3	0	0	0	113.1	R173 V178 C192 A193 Q194 L199 M211 L215 F217	R173-I190 HydrophobicContact CG-CG2 3.86Å; V178-I190 HydrophobicContact CG1-CB 4.43Å; I190-C192 VanDerWaalsContact C-N 3.31Å; I190-C192 PolarHBondContact O-N 3.28Å; I190-A193 PolarHBondContact O-N 3.24Å; I190-Q194 WeakPolarHBondContact O-CB 3.45Å; I190-Q194 PolarHBondContact O-N 3.06Å; I190-L199 HydrophobicContact CD1-CD1 4.38Å; I190-L199 HydrophobicContact CG1-CD1 4.17Å; I190-M211 HydrophobicContact CD1-CG 4.43Å; I190-M211 HydrophobicContact CD1-SD 3.46Å; I190-M211 WeakPolarHBondContact CD1-SD 3.5Å; I190-L215 HydrophobicContact CG1-CD1 4.23Å; I190-F217 HydrophobicContact CD1-CE1 3.95Å; I190-F217 HydrophobicContact CD1-CZ 4.1Å; I190-F217 HydrophobicContact CG1-CE1 4.35Å
191	D	90.4	Very high	82.7	Confident	6 Å²	6	40 Å²	40	3%	0.032	21%	0.208	C	C	.	.	H	α-helix	trans	-70.2	-31.3	-179.5	-64.3	-80.9	0	0	0	111.2	R125 R173 N189 Q194 C195	R125-D191 HydrophobicContact CB-CB 4.05Å; R125-D191 IonicContact CZ-OD1 3.43Å; R125-D191 IonicContact NE-OD1 3.11Å; R125-D191 IonicContact NH1-OD1 2.94Å; R125-D191 PolarHBondContact NH1-OD1 2.91Å; R125-D191 IonicContact NH2-OD1 2.83Å; R125-D191 PolarHBondContact NH2-OD1 3.46Å; R173-D191 IonicContact CZ-OD2 3.47Å; R173-D191 IonicContact NE-OD2 3.23Å; R173-D191 PolarHBondContact NE-OD2 2.93Å; R173-D191 VanDerWaalsContact NE-OD2 3.07Å; R173-D191 IonicContact NH2-OD1 3.3Å; R173-D191 PolarHBondContact NH2-OD1 3.21Å; R173-D191 IonicContact NH2-OD2 3.28Å; R173-D191 PolarHBondContact NH2-OD2 3.09Å; N189-D191 PolarHBondContact O-N 3.44Å; N189-D191 WeakPolarHBondContact OD1-CB 3.23Å; N189-D191 PolarHBondContact OD1-N 3.26Å; N189-D191 VanDerWaalsContact OD1-N 3.11Å; D191-Q194 PolarHBondContact O-N 3.23Å; D191-C195 PolarHBondContact O-N 3.19Å
192	C	91.9	Very high	81.9	Confident	0 Å²	0	39.9 Å²	39.9	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-66.2	-44.7	168.4	-61.9	0	0	0	0	112	C126 Y187 N189 I190 Q194 C195 H196	C126-C192 VanDerWaalsContact C-SG 3.57Å; C126-C192 WeakPolarHBondContact CA-SG 3.4Å; C126-C192 HydrophobicContact CB-CB 4.01Å; C126-C192 WeakPolarHBondContact CB-SG 3.27Å; C126-C192 PolarHBondContact O-SG 3.06Å; C126-C192 VanDerWaalsContact O-SG 3.41Å; C126-C192 WeakPolarHBondContact SG-CA 3.42Å; C126-C192 WeakPolarHBondContact SG-CB 3.37Å; C126-C192 CovalentContact SG-SG 2.04Å; C126-C192 PolarHBondContact SG-SG 3.32Å; Y187-C192 HydrophobicContact CD1-CB 4.2Å; N189-C192 WeakPolarHBondContact O-CB 3.3Å; N189-C192 PolarHBondContact O-N 2.91Å; N189-C192 PolarHBondContact OD1-N 2.84Å; N189-C192 PolarHBondContact OD1-SG 2.91Å; I190-C192 VanDerWaalsContact C-N 3.31Å; I190-C192 PolarHBondContact O-N 3.28Å; C192-Q194 VanDerWaalsContact C-N 3.25Å; C192-Q194 PolarHBondContact O-N 3.17Å; C192-C195 PolarHBondContact O-N 2.83Å; C192-C195 PolarHBondContact O-SG 3.48Å; C192-H196 PolarHBondContact O-CD2 2.96Å; C192-H196 VanDerWaalsContact O-CD2 3.23Å; C192-H196 PolarHBondContact O-N 3.07Å
193	A	89.5	Confident	81	Confident	0 Å²	0	38.3 Å²	38.3	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-60.5	-38.6	174.6	0	0	0	0	0	111.7	V178 Y187 N189 I190 H196 G197 E198 L215	V178-A193 HydrophobicContact CG2-CB 3.8Å; Y187-A193 HydrophobicContact CD1-CB 4.25Å; Y187-A193 HydrophobicContact CD2-CB 3.9Å; Y187-A193 HydrophobicContact CE2-CB 4.44Å; Y187-A193 HydrophobicContact CG-CB 3.8Å; N189-A193 PolarHBondContact O-N 3.06Å; I190-A193 PolarHBondContact O-N 3.24Å; A193-H196 PolarHBondContact O-N 3.4Å; A193-G197 PolarHBondContact O-N 3.04Å; A193-E198 HydrophobicContact CB-CB 4.3Å; A193-E198 HydrophobicContact CB-CG 4.45Å; A193-E198 WeakPolarHBondContact O-CB 3.35Å; A193-E198 PolarHBondContact O-N 3.25Å; A193-E198 VanDerWaalsContact O-N 3.15Å; A193-L215 HydrophobicContact CB-CD1 4.01Å; A193-L215 HydrophobicContact CB-CD2 4.02Å
194	Q	87.3	Confident	80.5	Confident	67 Å²	67	41.4 Å²	41.4	31%	0.313	25%	0.25	S	S	.	.	H	α-helix	trans	-63	-45.6	177	-172.3	178.8	-4	0	0	112.3	I190 D191 C192 H196 G197 L199	I190-Q194 WeakPolarHBondContact O-CB 3.45Å; I190-Q194 PolarHBondContact O-N 3.06Å; D191-Q194 PolarHBondContact O-N 3.23Å; C192-Q194 VanDerWaalsContact C-N 3.25Å; C192-Q194 PolarHBondContact O-N 3.17Å; Q194-H196 PolarHBondContact O-N 3.02Å; Q194-G197 PolarHBondContact O-N 3.11Å; Q194-L199 HydrophobicContact CB-CD1 4.19Å; Q194-L199 HydrophobicContact CG-CD1 4.49Å
195	C	88.2	Confident	79.8	Confident	19 Å²	19	43.7 Å²	43.7	13%	0.128	26%	0.26	C	S	.	.	H	α-helix	trans	-70.4	-20.2	-179	67.6	0	0	0	0	114.2	C114 T118 I122 D191 C192 G197	C114-C195 WeakPolarHBondContact CA-SG 3.3Å; C114-C195 HydrophobicContact CB-CB 3.65Å; C114-C195 WeakPolarHBondContact CB-SG 3.26Å; C114-C195 WeakPolarHBondContact SG-CB 3.47Å; C114-C195 CovalentContact SG-SG 2.03Å; C114-C195 PolarHBondContact SG-SG 3.44Å; T118-C195 HydrophobicContact CG2-CB 3.56Å; I122-C195 HydrophobicContact CG2-CB 3.9Å; D191-C195 PolarHBondContact O-N 3.19Å; C192-C195 PolarHBondContact O-N 2.83Å; C192-C195 PolarHBondContact O-SG 3.48Å; C195-G197 VanDerWaalsContact C-N 3.28Å
196	H	88.1	Confident	79	Confident	38 Å²	38	45.8 Å²	45.8	18%	0.176	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87	4.4	170.4	-75	-71.9	0	0	0	113.5	L80 I111 N113 Y187 C192 A193 Q194 E198	L80-H196 WeakPolarHBondContact CD2-CE1 3.24Å; L80-H196 WeakPolarHBondContact CD2-ND1 3.43Å; I111-H196 VanDerWaalsContact CG2-NE2 3.31Å; I111-H196 WeakPolarHBondContact CG2-NE2 3.48Å; N113-H196 PolarHBondContact O-NE2 2.99Å; Y187-H196 HydrophobicContact CE1-CB 3.71Å; Y187-H196 AromaticContact CE1-CD2 3.64Å; Y187-H196 AromaticContact CE1-CG 3.8Å; C192-H196 PolarHBondContact O-CD2 2.96Å; C192-H196 VanDerWaalsContact O-CD2 3.23Å; C192-H196 PolarHBondContact O-N 3.07Å; A193-H196 PolarHBondContact O-N 3.4Å; Q194-H196 PolarHBondContact O-N 3.02Å; H196-E198 VanDerWaalsContact C-N 3.34Å; H196-E198 PolarHBondContact O-N 3.44Å
197	G	83.5	Confident	78	Confident	38 Å²	38	50.2 Å²	50.2	39%	0.392	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	74.5	20.5	173.1	0	0	0	0	0	114.7	A193 Q194 C195 L199	A193-G197 PolarHBondContact O-N 3.04Å; Q194-G197 PolarHBondContact O-N 3.11Å; C195-G197 VanDerWaalsContact C-N 3.28Å; G197-L199 PolarHBondContact O-N 2.87Å
198	E	82.2	Confident	77	Confident	26 Å²	26	54.8 Å²	54.8	12%	0.121	32%	0.316	C	S	.	.			trans	-67.5	-26.6	175.8	-65.4	-64.9	140	0	0	111.8	S180 Y187 A193 H196 L215	S180-E198 VanDerWaalsContact CB-OE2 3.29Å; S180-E198 WeakPolarHBondContact CB-OE2 3.28Å; S180-E198 PolarHBondContact OG-OE2 2.87Å; Y187-E198 HydrophobicContact CE2-CG 3.81Å; Y187-E198 WeakPolarHBondContact OH-CG 3.47Å; Y187-E198 PolarHBondContact OH-OE1 3.45Å; Y187-E198 VanDerWaalsContact OH-OE1 3.12Å; A193-E198 HydrophobicContact CB-CB 4.3Å; A193-E198 HydrophobicContact CB-CG 4.45Å; A193-E198 WeakPolarHBondContact O-CB 3.35Å; A193-E198 PolarHBondContact O-N 3.25Å; A193-E198 VanDerWaalsContact O-N 3.15Å; H196-E198 VanDerWaalsContact C-N 3.34Å; H196-E198 PolarHBondContact O-N 3.44Å; E198-L215 HydrophobicContact CB-CD2 4.15Å
199	L	75.8	Confident	76	Confident	24 Å²	24	58.9 Å²	58.9	13%	0.126	34%	0.338	C	S	.	.			trans	-98.7	83.4	176.2	-64.6	172.2	0	0	0	110	I190 Q194 G197 S201 F207 M211 L215	I190-L199 HydrophobicContact CD1-CD1 4.38Å; I190-L199 HydrophobicContact CG1-CD1 4.17Å; Q194-L199 HydrophobicContact CB-CD1 4.19Å; Q194-L199 HydrophobicContact CG-CD1 4.49Å; G197-L199 PolarHBondContact O-N 2.87Å; L199-S201 PolarHBondContact O-N 3.49Å; L199-F207 HydrophobicContact CD1-CE2 4.48Å; L199-F207 HydrophobicContact CD1-CZ 4.28Å; L199-M211 HydrophobicContact CD1-CG 4.48Å; L199-M211 HydrophobicContact CD2-CG 3.81Å; L199-L215 HydrophobicContact CD1-CD1 4.2Å; L199-L215 HydrophobicContact CD2-CD1 3.75Å; L199-L215 HydrophobicContact CD2-CG 4.17Å; L199-L215 HydrophobicContact CG-CD1 4.03Å
200	K	66.3	Low	75	Confident	156 Å²	156	59.1 Å²	59.1	68%	0.678	34%	0.339	S	S	*	.			trans	-82.9	104.4	166.8	-67.6	-170.1	-179.1	-173.1	0	108.5	I202	K200-I202 PolarHBondContact O-N 3.38Å; K200-I202 VanDerWaalsContact O-N 3.16Å
201	S	57.9	Low	74.4	Confident	95 Å²	95	59.7 Å²	59.7	66%	0.664	34%	0.342	S	S	*	.			trans	-68.7	109.3	171.9	53.5	0	0	0	0	109.2	L199	L199-S201 PolarHBondContact O-N 3.49Å
202	I	60.7	Low	73.5	Confident	83 Å²	83	65.9 Å²	65.9	43%	0.426	37%	0.369	S	S	.	.			trans	-74.3	130	166.7	-56.9	171.7	0	0	0	106.9	K200 G204 E205	K200-I202 PolarHBondContact O-N 3.38Å; K200-I202 VanDerWaalsContact O-N 3.16Å; I202-G204 PolarHBondContact O-N 3.04Å; I202-G204 VanDerWaalsContact O-N 3.17Å; I202-E205 HydrophobicContact CB-CB 4.29Å; I202-E205 PolarHBondContact O-N 3.35Å; I202-E205 VanDerWaalsContact O-N 3.11Å
203	P	56.8	Low	72.7	Confident	129 Å²	129	71 Å²	71	84%	0.838	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.5	122.8	176.7	-21.8	31.1	0	0	0	110.7
204	G	62.3	Low	72.3	Confident	88 Å²	88	73.7 Å²	73.7	91%	0.907	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	94.6	-12.2	179.8	0	0	0	0	0	116	I202	I202-G204 PolarHBondContact O-N 3.04Å; I202-G204 VanDerWaalsContact O-N 3.17Å
205	E	64	Low	72.1	Confident	63 Å²	63	70.7 Å²	70.7	29%	0.294	39%	0.387	S	S	.	.	S	Bend	trans	-81.3	133.3	172.8	-156	178.3	-150.7	0	0	109.6	I202 F207 S210 K213	I202-E205 HydrophobicContact CB-CB 4.29Å; I202-E205 PolarHBondContact O-N 3.35Å; I202-E205 VanDerWaalsContact O-N 3.11Å; E205-F207 PolarHBondContact O-N 2.85Å; E205-S210 VanDerWaalsContact CD-OG 3.29Å; E205-S210 WeakPolarHBondContact CG-OG 3.32Å; E205-S210 PolarHBondContact OE2-OG 3.05Å; E205-K213 IonicContact OE1-NZ 3Å; E205-K213 PolarHBondContact OE1-NZ 3.04Å; E205-K213 VanDerWaalsContact OE1-NZ 3.13Å
206	N	66.9	Low	71.8	Confident	102 Å²	102	72.2 Å²	72.2	55%	0.545	39%	0.392	S	S	.	.			trans	-62.4	125	175.1	-176.1	-16	0	0	0	109.1	H208 N209 S210	N206-H208 PolarHBondContact O-N 2.92Å; N206-H208 PolarHBondContact OD1-N 3.01Å; N206-N209 HydrophobicContact CB-CB 4.47Å; N206-N209 WeakPolarHBondContact O-CA 3.33Å; N206-N209 WeakPolarHBondContact O-CB 3.44Å; N206-N209 PolarHBondContact O-N 3.27Å; N206-S210 PolarHBondContact O-N 3.29Å; N206-S210 VanDerWaalsContact O-N 3.11Å
207	F	67.1	Low	71.5	Confident	102 Å²	102	74.7 Å²	74.7	45%	0.447	40%	0.402	S	S	.	.	H	α-helix	trans	-50.2	-35.8	-177.7	-177	-106.7	0	0	0	113.1	L199 E205 S210 M211	L199-F207 HydrophobicContact CD1-CE2 4.48Å; L199-F207 HydrophobicContact CD1-CZ 4.28Å; E205-F207 PolarHBondContact O-N 2.85Å; F207-S210 PolarHBondContact O-N 2.96Å; F207-M211 HydrophobicContact CD1-CE 3.29Å; F207-M211 HydrophobicContact CD1-CG 4.47Å; F207-M211 HydrophobicContact CD1-SD 4.05Å; F207-M211 HydrophobicContact CE1-CE 3.28Å; F207-M211 HydrophobicContact CE1-CG 4.11Å; F207-M211 HydrophobicContact CE1-SD 3.44Å; F207-M211 WeakPolarHBondContact CE1-SD 3.2Å; F207-M211 HydrophobicContact CG-CE 4.28Å; F207-M211 HydrophobicContact CZ-CE 4.28Å; F207-M211 HydrophobicContact CZ-CG 4.21Å; F207-M211 HydrophobicContact CZ-SD 3.94Å; F207-M211 WeakPolarHBondContact O-CG 3.19Å; F207-M211 PolarHBondContact O-N 3.26Å
208	H	69.1	Low	71.3	Confident	97 Å²	97	74.2 Å²	74.2	45%	0.449	39%	0.389	S	S	.	.	H	α-helix	trans	-65.1	-39.4	176.6	-167.9	65.9	0	0	0	113.5	N206 M211 K212	N206-H208 PolarHBondContact O-N 2.92Å; N206-H208 PolarHBondContact OD1-N 3.01Å; H208-M211 HydrophobicContact CB-CE 4.47Å; H208-M211 PolarHBondContact O-N 2.97Å; H208-K212 WeakPolarHBondContact NE2-CE 3.47Å; H208-K212 PolarHBondContact O-N 3.12Å; H208-K212 VanDerWaalsContact O-N 3.14Å
209	N	68.5	Low	71	Confident	91 Å²	91	77.2 Å²	77.2	49%	0.487	41%	0.409	S	S	.	.	H	α-helix	trans	-70.7	-41.9	177.8	-69.5	-6.9	0	0	0	110.6	N206 M211 K212 K213	N206-N209 HydrophobicContact CB-CB 4.47Å; N206-N209 WeakPolarHBondContact O-CA 3.33Å; N206-N209 WeakPolarHBondContact O-CB 3.44Å; N206-N209 PolarHBondContact O-N 3.27Å; N209-M211 VanDerWaalsContact C-N 3.3Å; N209-M211 PolarHBondContact O-N 3.46Å; N209-K212 PolarHBondContact O-N 3.41Å; N209-K213 VanDerWaalsContact O-CB 3.32Å; N209-K213 WeakPolarHBondContact O-CB 3.21Å; N209-K213 PolarHBondContact O-N 3.12Å
210	S	70	Confident	71.1	Confident	4 Å²	4	77.3 Å²	77.3	3%	0.028	41%	0.41	C	S	.	.	H	α-helix	trans	-60.3	-41.2	174	-51.2	0	0	0	0	111.1	E205 N206 F207 K213 Y214	E205-S210 VanDerWaalsContact CD-OG 3.29Å; E205-S210 WeakPolarHBondContact CG-OG 3.32Å; E205-S210 PolarHBondContact OE2-OG 3.05Å; N206-S210 PolarHBondContact O-N 3.29Å; N206-S210 VanDerWaalsContact O-N 3.11Å; F207-S210 PolarHBondContact O-N 2.96Å; S210-K213 PolarHBondContact O-N 3.13Å; S210-Y214 WeakPolarHBondContact O-CD2 3.25Å; S210-Y214 PolarHBondContact O-N 3.43Å; S210-Y214 VanDerWaalsContact O-N 3.17Å
211	M	75.7	Confident	71.4	Confident	26 Å²	26	72.7 Å²	72.7	13%	0.128	39%	0.39	C	S	.	.	H	α-helix	trans	-58.6	-52.2	175.5	-82.3	-172.6	-68.7	0	0	112.3	I190 L199 F207 H208 N209 K213 Y214 L215 F217	I190-M211 HydrophobicContact CD1-CG 4.43Å; I190-M211 HydrophobicContact CD1-SD 3.46Å; I190-M211 WeakPolarHBondContact CD1-SD 3.5Å; L199-M211 HydrophobicContact CD1-CG 4.48Å; L199-M211 HydrophobicContact CD2-CG 3.81Å; F207-M211 HydrophobicContact CD1-CE 3.29Å; F207-M211 HydrophobicContact CD1-CG 4.47Å; F207-M211 HydrophobicContact CD1-SD 4.05Å; F207-M211 HydrophobicContact CE1-CE 3.28Å; F207-M211 HydrophobicContact CE1-CG 4.11Å; F207-M211 HydrophobicContact CE1-SD 3.44Å; F207-M211 WeakPolarHBondContact CE1-SD 3.2Å; F207-M211 HydrophobicContact CG-CE 4.28Å; F207-M211 HydrophobicContact CZ-CE 4.28Å; F207-M211 HydrophobicContact CZ-CG 4.21Å; F207-M211 HydrophobicContact CZ-SD 3.94Å; F207-M211 WeakPolarHBondContact O-CG 3.19Å; F207-M211 PolarHBondContact O-N 3.26Å; H208-M211 HydrophobicContact CB-CE 4.47Å; H208-M211 PolarHBondContact O-N 2.97Å; N209-M211 VanDerWaalsContact C-N 3.3Å; N209-M211 PolarHBondContact O-N 3.46Å; M211-K213 PolarHBondContact O-N 3.47Å; M211-Y214 PolarHBondContact O-N 3.38Å; M211-L215 WeakPolarHBondContact O-CB 3.34Å; M211-L215 PolarHBondContact O-N 3.4Å; M211-F217 HydrophobicContact CB-CE2 3.97Å; M211-F217 HydrophobicContact CB-CZ 3.97Å; M211-F217 HydrophobicContact CG-CZ 4.22Å; M211-F217 HydrophobicContact SD-CZ 4.11Å
212	K	72.2	Confident	72.4	Confident	136 Å²	136	70.5 Å²	70.5	59%	0.591	37%	0.37	S	S	*	.	H	α-helix	trans	-63.1	-28.4	179.9	-73.9	-173.7	173.1	-171.9	0	113.5	H208 N209	H208-K212 WeakPolarHBondContact NE2-CE 3.47Å; H208-K212 PolarHBondContact O-N 3.12Å; H208-K212 VanDerWaalsContact O-N 3.14Å; N209-K212 PolarHBondContact O-N 3.41Å
213	K	75.1	Confident	72.7	Confident	106 Å²	106	72.5 Å²	72.5	46%	0.461	37%	0.373	S	S	.	.	H	α-helix	trans	-75.2	-33.1	-179.8	-173.2	-178.9	-174.7	-178.3	0	113.1	L181 E205 N209 S210 M211	L181-K213 WeakPolarHBondContact CD1-O 3.49Å; E205-K213 IonicContact OE1-NZ 3Å; E205-K213 PolarHBondContact OE1-NZ 3.04Å; E205-K213 VanDerWaalsContact OE1-NZ 3.13Å; N209-K213 VanDerWaalsContact O-CB 3.32Å; N209-K213 WeakPolarHBondContact O-CB 3.21Å; N209-K213 PolarHBondContact O-N 3.12Å; S210-K213 PolarHBondContact O-N 3.13Å; M211-K213 PolarHBondContact O-N 3.47Å
214	Y	80.4	Confident	73.4	Confident	58 Å²	58	68.1 Å²	68.1	23%	0.227	35%	0.345	C	S	.	.	H	α-helix	trans	-109	-24.2	-174.1	-62.2	-60.8	0	0	0	114.1	L181 S210 M211	L181-Y214 PolarHBondContact N-O 2.88Å; S210-Y214 WeakPolarHBondContact O-CD2 3.25Å; S210-Y214 PolarHBondContact O-N 3.43Å; S210-Y214 VanDerWaalsContact O-N 3.17Å; M211-Y214 PolarHBondContact O-N 3.38Å
215	L	83.6	Confident	73.7	Confident	3 Å²	3	68.4 Å²	68.4	2%	0.016	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	136.9	-175.7	-60.1	179.7	0	0	0	111	V178 V179 I190 A193 E198 L199 M211 F217	V178-L215 HydrophobicContact CG2-CD1 4.35Å; V178-L215 HydrophobicContact CG2-CD2 4.5Å; V179-L215 CarbonylContact O-C 3.49Å; V179-L215 WeakPolarHBondContact O-CA 3.09Å; I190-L215 HydrophobicContact CG1-CD1 4.23Å; A193-L215 HydrophobicContact CB-CD1 4.01Å; A193-L215 HydrophobicContact CB-CD2 4.02Å; E198-L215 HydrophobicContact CB-CD2 4.15Å; L199-L215 HydrophobicContact CD1-CD1 4.2Å; L199-L215 HydrophobicContact CD2-CD1 3.75Å; L199-L215 HydrophobicContact CD2-CG 4.17Å; L199-L215 HydrophobicContact CG-CD1 4.03Å; M211-L215 WeakPolarHBondContact O-CB 3.34Å; M211-L215 PolarHBondContact O-N 3.4Å; L215-F217 HydrophobicContact CB-CD2 4.39Å; L215-F217 HydrophobicContact CB-CE2 3.7Å; L215-F217 HydrophobicContact CB-CZ 3.91Å; L215-F217 HydrophobicContact CD1-CZ 4.04Å
216	K	82.4	Confident	73.8	Confident	52 Å²	52	66.9 Å²	66.9	23%	0.226	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	123.7	166.1	-169.4	166	177.7	175.2	0	108.9	N45 V179 L181 Y218	N45-K216 VanDerWaalsContact CG-NZ 3.3Å; N45-K216 PolarHBondContact ND2-NZ 3.21Å; N45-K216 PolarHBondContact OD1-NZ 2.85Å; V179-K216 HydrophobicContact CB-CB 4.41Å; V179-K216 PolarHBondContact N-O 2.88Å; V179-K216 PolarHBondContact O-N 2.88Å; L181-K216 HydrophobicContact CD2-CB 3.93Å; L181-K216 HydrophobicContact CD2-CD 4.47Å; L181-K216 HydrophobicContact CG-CB 4.31Å; K216-Y218 WeakPolarHBondContact CD-OH 3.47Å; K216-Y218 WeakPolarHBondContact CE-OH 3.38Å; K216-Y218 HydrophobicContact CG-CE2 4.13Å
217	F	81.9	Confident	73.6	Confident	90 Å²	90	63 Å²	63	40%	0.395	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	144.1	-179.2	-65.3	-92.5	0	0	0	110.4	V178 I190 M211 L215	V178-F217 HydrophobicContact CG1-CD1 3.55Å; V178-F217 HydrophobicContact CG1-CE1 3.68Å; V178-F217 HydrophobicContact CG1-CG 4.39Å; I190-F217 HydrophobicContact CD1-CE1 3.95Å; I190-F217 HydrophobicContact CD1-CZ 4.1Å; I190-F217 HydrophobicContact CG1-CE1 4.35Å; M211-F217 HydrophobicContact CB-CE2 3.97Å; M211-F217 HydrophobicContact CB-CZ 3.97Å; M211-F217 HydrophobicContact CG-CZ 4.22Å; M211-F217 HydrophobicContact SD-CZ 4.11Å; L215-F217 HydrophobicContact CB-CD2 4.39Å; L215-F217 HydrophobicContact CB-CE2 3.7Å; L215-F217 HydrophobicContact CB-CZ 3.91Å; L215-F217 HydrophobicContact CD1-CZ 4.04Å
218	Y	77.6	Confident	73.1	Confident	28 Å²	28	60.3 Å²	60.3	11%	0.11	30%	0.299	C	S	.	.			trans	-119.9	138.9	174.1	-63.9	-82	0	0	0	109.7	V179 K216 A240 L241 P242	V179-Y218 HydrophobicContact CB-CE2 4.2Å; V179-Y218 HydrophobicContact CG2-CD2 4.49Å; V179-Y218 HydrophobicContact CG2-CE2 3.69Å; K216-Y218 WeakPolarHBondContact CD-OH 3.47Å; K216-Y218 WeakPolarHBondContact CE-OH 3.38Å; K216-Y218 HydrophobicContact CG-CE2 4.13Å; Y218-A240 WeakPolarHBondContact CD1-O 3.38Å; Y218-L241 HydrophobicContact CD1-CD1 4.48Å; Y218-L241 HydrophobicContact CD2-CD1 3.46Å; Y218-L241 VanDerWaalsContact CD2-CD1 3.46Å; Y218-L241 HydrophobicContact CE1-CD1 4.46Å; Y218-L241 HydrophobicContact CE2-CD1 3.42Å; Y218-L241 VanDerWaalsContact CE2-CD1 3.42Å; Y218-L241 HydrophobicContact CG-CD1 4Å; Y218-P242 HydrophobicContact CE1-CG 3.81Å
219	T	76.3	Confident	72.6	Confident	88 Å²	88	63 Å²	63	54%	0.54	31%	0.31	S	S	.	.	P	Polyproline II helix	trans	-73.8	139.5	-178.7	53.8	0	0	0	0	111	A240	T219-A240 WeakPolarHBondContact O-CB 3.22Å; T219-A240 PolarHBondContact O-N 3.12Å
220	V	79.3	Confident	72.3	Confident	26 Å²	26	63.4 Å²	63.4	16%	0.158	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	118.4	165.6	-174.4	0	0	0	0	108.1	I172 I175 A176 L237 D238 T239	I172-V220 HydrophobicContact CG2-CB 4.03Å; I172-V220 HydrophobicContact CG2-CG1 4.45Å; I172-V220 HydrophobicContact CG2-CG2 3.96Å; I175-V220 HydrophobicContact CD1-CG1 4.07Å; I175-V220 HydrophobicContact CG1-CG2 4.49Å; A176-V220 HydrophobicContact CB-CG2 3.69Å; V220-L237 HydrophobicContact CG1-CB 4.1Å; V220-D238 CarbonylContact C-O 3.51Å; V220-T239 HydrophobicContact CG2-CG2 4.1Å
221	K	72.7	Confident	72.1	Confident	60 Å²	60	70.1 Å²	70.1	26%	0.261	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	124.8	174	-67.3	-178.4	178.5	176.7	0	108.5	L237 D238 A240	K221-L237 WeakPolarHBondContact O-CA 3.35Å; K221-D238 PolarHBondContact N-O 2.92Å; K221-D238 PolarHBondContact O-N 3.43Å; K221-A240 HydrophobicContact CD-CB 4.45Å
222	I	77.1	Confident	72	Confident	48 Å²	48	72 Å²	72	25%	0.246	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	118.6	177.5	-55.4	173.6	0	0	0	107.3	I155 F165 F167 I172 L237	I155-I222 HydrophobicContact CG2-CD1 4.15Å; F165-I222 HydrophobicContact CE2-CG2 3.9Å; F165-I222 HydrophobicContact CZ-CG2 4.08Å; F167-I222 HydrophobicContact CD2-CD1 4.15Å; F167-I222 HydrophobicContact CD2-CG2 4.38Å; F167-I222 HydrophobicContact CE2-CG2 3.83Å; I172-I222 HydrophobicContact CD1-CD1 4.14Å; I222-L237 HydrophobicContact CG1-CG 4.28Å
223	R	67.3	Low	72.2	Confident	126 Å²	126	66.4 Å²	66.4	48%	0.475	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	110.5	177.4	-69.9	-179.8	176.8	-175.8	-5.1	109.1	C235 L236 E530	R223-C235 CarbonylContact O-C 3.58Å; R223-C235 WeakPolarHBondContact O-CA 3.46Å; R223-L236 HydrophobicContact CB-CB 4.36Å; R223-L236 PolarHBondContact N-O 2.94Å; R223-L236 PolarHBondContact O-N 3.16Å; R223-E530 PolarHBondContact NH2-O 3.3Å
224	C	72.2	Confident	72.2	Confident	36 Å²	36	61.5 Å²	61.5	24%	0.243	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	141.3	-178	-60.1	0	0	0	0	111	I159 F165 I234 C235	I159-C224 HydrophobicContact CD1-CB 3.62Å; I159-C224 HydrophobicContact CG1-CB 3.71Å; F165-C224 HydrophobicContact CD1-CB 4.4Å; F165-C224 HydrophobicContact CE1-CB 4.19Å; C224-I234 CarbonylContact C-O 3.58Å; C224-I234 VanDerWaalsContact CA-O 3.31Å; C224-I234 WeakPolarHBondContact CA-O 3.28Å; C224-C235 HydrophobicContact CB-CB 4.16Å; C224-C235 WeakPolarHBondContact CB-SG 3.2Å; C224-C235 WeakPolarHBondContact SG-CB 3.44Å; C224-C235 CovalentContact SG-SG 2.03Å; C224-C235 PolarHBondContact SG-SG 2.92Å
225	H	68.2	Low	72	Confident	95 Å²	95	58.7 Å²	58.7	44%	0.44	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	167.8	170.1	68.1	-71.6	0	0	0	109.3	I234	H225-I234 PolarHBondContact N-O 3.34Å; H225-I234 PolarHBondContact ND1-O 3.4Å; H225-I234 PolarHBondContact O-N 3.45Å
226	L	66.3	Low	71.7	Confident	30 Å²	30	60.5 Å²	60.5	16%	0.157	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	137.7	173.7	-56.1	160.5	0	0	0	110	I159 I163 N230 Y232 R233	I159-L226 HydrophobicContact CG2-CD1 4.3Å; I159-L226 HydrophobicContact CG2-CD2 4.08Å; I159-L226 HydrophobicContact CG2-CG 3.72Å; I163-L226 HydrophobicContact CD1-CD1 3.68Å; I163-L226 HydrophobicContact CD1-CD2 3.79Å; I163-L226 HydrophobicContact CD1-CG 4.39Å; I163-L226 HydrophobicContact CG2-CD2 4.25Å; L226-N230 HydrophobicContact CB-CB 4.31Å; L226-N230 HydrophobicContact CD1-CB 4.02Å; L226-Y232 CarbonylContact C-O 3.49Å; L226-Y232 WeakPolarHBondContact CA-O 3.38Å; L226-R233 HydrophobicContact CD2-CG 4.03Å
227	A	62.6	Low	71.7	Confident	22 Å²	22	58 Å²	58	18%	0.182	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	167.6	176	0	0	0	0	0	111.1	N230 K231 Y232 I234	A227-N230 PolarHBondContact O-N 3.34Å; A227-K231 PolarHBondContact O-N 2.99Å; A227-Y232 PolarHBondContact N-O 3.33Å; A227-Y232 PolarHBondContact O-N 3.09Å; A227-Y232 VanDerWaalsContact O-N 3.14Å; A227-I234 HydrophobicContact CB-CD1 3.29Å; A227-I234 HydrophobicContact CB-CG1 3.8Å
228	G	57.3	Low	71.4	Confident	45 Å²	45	56 Å²	56	46%	0.464	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.1	59.4	176.3	0	0	0	0	0	113.8	K231	G228-K231 PolarHBondContact O-N 2.81Å
229	K	58.7	Low	71.4	Confident	153 Å²	153	54.7 Å²	54.7	67%	0.665	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.4	47.3	-176.9	-55.2	178.1	160.3	-152.8	0	113.8	K231 E297	K229-K231 PolarHBondContact O-N 3.45Å; K229-K231 VanDerWaalsContact O-N 3.08Å; K229-E297 IonicContact NZ-OE1 3.66Å; K229-E297 PolarHBondContact NZ-OE1 3.47Å
230	N	61	Low	71.1	Confident	100 Å²	100	52.1 Å²	52.1	54%	0.535	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	62.7	9.9	179.3	-63.4	-13.4	0	0	0	116	L226 A227	L226-N230 HydrophobicContact CB-CB 4.31Å; L226-N230 HydrophobicContact CD1-CB 4.02Å; A227-N230 PolarHBondContact O-N 3.34Å
231	K	66	Low	70.9	Confident	144 Å²	144	51.2 Å²	51.2	63%	0.626	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.8	-34.5	-176.8	-68.4	-170.1	175.5	-170	0	113.5	A227 G228 K229	A227-K231 PolarHBondContact O-N 2.99Å; G228-K231 PolarHBondContact O-N 2.81Å; K229-K231 PolarHBondContact O-N 3.45Å; K229-K231 VanDerWaalsContact O-N 3.08Å
232	Y	73.1	Confident	70.8	Confident	67 Å²	67	49 Å²	49	26%	0.263	25%	0.25	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	125.6	-170.5	-51.4	-79	0	0	0	110.2	D93 E94 I97 L226 A227	D93-Y232 HydrophobicContact CB-CD1 4.27Å; E94-Y232 HydrophobicContact CB-CD1 3.95Å; E94-Y232 HydrophobicContact CB-CE1 3.99Å; E94-Y232 HydrophobicContact CG-CE1 4.42Å; E94-Y232 WeakPolarHBondContact OE2-CE1 3.5Å; E94-Y232 PolarHBondContact OE2-OH 3.18Å; I97-Y232 HydrophobicContact CD1-CD2 4.31Å; I97-Y232 HydrophobicContact CD1-CG 4.3Å; L226-Y232 CarbonylContact C-O 3.49Å; L226-Y232 WeakPolarHBondContact CA-O 3.38Å; A227-Y232 PolarHBondContact N-O 3.33Å; A227-Y232 PolarHBondContact O-N 3.09Å; A227-Y232 VanDerWaalsContact O-N 3.14Å
233	R	76.3	Confident	70.5	Confident	18 Å²	18	49 Å²	49	7%	0.068	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	130.6	170	-57.2	175.6	-67.8	-166	-5.9	108	T92 D93 F136 D138 I159 I163 L164 L226	T92-R233 WeakPolarHBondContact CA-O 3.33Å; D93-R233 PolarHBondContact N-O 2.98Å; D93-R233 IonicContact OD1-CZ 2.7Å; D93-R233 VanDerWaalsContact OD1-CZ 3.3Å; D93-R233 IonicContact OD1-NE 3.58Å; D93-R233 PolarHBondContact OD1-NE 3.05Å; D93-R233 IonicContact OD1-NH2 3.8Å; D93-R233 PolarHBondContact OD1-NH2 2.71Å; D93-R233 VanDerWaalsContact OD2-CB 3.28Å; D93-R233 WeakPolarHBondContact OD2-CB 3.37Å; D93-R233 VanDerWaalsContact OD2-CG 3.32Å; D93-R233 WeakPolarHBondContact OD2-CG 3.3Å; D93-R233 PolarHBondContact OD2-N 3Å; D93-R233 IonicContact OD2-NE 3.1Å; D93-R233 PolarHBondContact OD2-NE 3.09Å; F136-R233 VanDerWaalsContact CB-NH2 3.26Å; F136-R233 HydrophobicContact CD2-CB 4.26Å; F136-R233 HydrophobicContact CE1-CB 4.15Å; F136-R233 HydrophobicContact CE2-CB 3.57Å; F136-R233 WeakPolarHBondContact CE2-O 3.4Å; F136-R233 HydrophobicContact CZ-CB 3.51Å; D138-R233 IonicContact OD1-CZ 2.73Å; D138-R233 VanDerWaalsContact OD1-CZ 3.28Å; D138-R233 IonicContact OD1-NH1 3.57Å; D138-R233 PolarHBondContact OD1-NH1 2.98Å; D138-R233 IonicContact OD1-NH2 3.07Å; D138-R233 PolarHBondContact OD1-NH2 3.19Å; D138-R233 IonicContact OD2-NH2 3.29Å; D138-R233 PolarHBondContact OD2-NH2 3.35Å; I159-R233 HydrophobicContact CD1-CB 3.91Å; I159-R233 HydrophobicContact CD1-CG 3.84Å; I163-R233 HydrophobicContact CG2-CG 3.91Å; L164-R233 PolarHBondContact O-NH1 2.94Å; L226-R233 HydrophobicContact CD2-CG 4.03Å
234	I	75.2	Confident	70.9	Confident	2 Å²	2	43 Å²	43	1%	0.01	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	117	170.1	-58.1	-169.6	0	0	0	107.9	V91 T92 I97 C224 H225 A227	V91-I234 WeakPolarHBondContact O-CA 3.37Å; T92-I234 HydrophobicContact CG2-CB 4.46Å; T92-I234 HydrophobicContact CG2-CD1 4.34Å; T92-I234 HydrophobicContact CG2-CG1 3.99Å; T92-I234 HydrophobicContact CG2-CG2 4.16Å; I97-I234 HydrophobicContact CG2-CD1 4.46Å; C224-I234 CarbonylContact C-O 3.58Å; C224-I234 VanDerWaalsContact CA-O 3.31Å; C224-I234 WeakPolarHBondContact CA-O 3.28Å; H225-I234 PolarHBondContact N-O 3.34Å; H225-I234 PolarHBondContact ND1-O 3.4Å; H225-I234 PolarHBondContact O-N 3.45Å; A227-I234 HydrophobicContact CB-CD1 3.29Å; A227-I234 HydrophobicContact CB-CG1 3.8Å
235	C	77.8	Confident	71.3	Confident	0 Å²	0	41.6 Å²	41.6	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	129.3	175.1	-65.9	0	0	0	0	111	Y90 V91 F136 F167 R223 C224 L237	Y90-C235 WeakPolarHBondContact CA-O 3.33Å; V91-C235 HydrophobicContact CB-CB 4.44Å; V91-C235 PolarHBondContact N-O 3.43Å; V91-C235 PolarHBondContact O-N 2.84Å; F136-C235 HydrophobicContact CE1-CB 4.18Å; F136-C235 WeakPolarHBondContact CE1-SG 3.32Å; F136-C235 HydrophobicContact CZ-CB 3.99Å; F136-C235 VanDerWaalsContact CZ-SG 3.51Å; F167-C235 HydrophobicContact CE2-CB 4.15Å; F167-C235 HydrophobicContact CZ-CB 3.75Å; R223-C235 CarbonylContact O-C 3.58Å; R223-C235 WeakPolarHBondContact O-CA 3.46Å; C224-C235 HydrophobicContact CB-CB 4.16Å; C224-C235 WeakPolarHBondContact CB-SG 3.2Å; C224-C235 WeakPolarHBondContact SG-CB 3.44Å; C224-C235 CovalentContact SG-SG 2.03Å; C224-C235 PolarHBondContact SG-SG 2.92Å; C235-L237 HydrophobicContact CB-CD1 4.1Å
236	L	77.1	Confident	71.7	Confident	41 Å²	41	37.6 Å²	37.6	22%	0.215	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	121.1	169	175.5	74.8	0	0	0	108.4	I88 Y90 R223	I88-L236 HydrophobicContact CG2-CD1 3.25Å; I88-L236 HydrophobicContact CG2-CG 4.45Å; Y90-L236 HydrophobicContact CD1-CD1 4.01Å; Y90-L236 HydrophobicContact CE1-CB 4.4Å; Y90-L236 HydrophobicContact CE1-CD1 3.5Å; Y90-L236 VanDerWaalsContact CE1-CD1 3.5Å; Y90-L236 HydrophobicContact CE2-CD1 4.08Å; Y90-L236 HydrophobicContact CG-CD1 4.5Å; R223-L236 HydrophobicContact CB-CB 4.36Å; R223-L236 PolarHBondContact N-O 2.94Å; R223-L236 PolarHBondContact O-N 3.16Å
237	L	80.7	Confident	72.4	Confident	0 Å²	0	36.7 Å²	36.7	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	114.9	173.5	-64.1	77.2	0	0	0	108.2	I88 H89 V91 I134 F167 I172 I175 V220 K221 I222 C235	I88-L237 WeakPolarHBondContact CA-O 3.38Å; H89-L237 HydrophobicContact CB-CB 4.26Å; H89-L237 PolarHBondContact N-O 3.03Å; H89-L237 PolarHBondContact O-N 3.33Å; V91-L237 HydrophobicContact CB-CD1 4.36Å; V91-L237 HydrophobicContact CG2-CD1 3.59Å; I134-L237 HydrophobicContact CD1-CD2 4.06Å; F167-L237 HydrophobicContact CE2-CD1 4.43Å; F167-L237 HydrophobicContact CZ-CD1 4.29Å; I172-L237 HydrophobicContact CD1-CD2 3.36Å; I175-L237 HydrophobicContact CD1-CB 4.02Å; I175-L237 HydrophobicContact CD1-CD2 3.85Å; V220-L237 HydrophobicContact CG1-CB 4.1Å; K221-L237 WeakPolarHBondContact O-CA 3.35Å; I222-L237 HydrophobicContact CG1-CG 4.28Å; C235-L237 HydrophobicContact CB-CD1 4.1Å
238	D	76.5	Confident	73.2	Confident	46 Å²	46	38.9 Å²	38.9	25%	0.246	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	135.6	-177	177.5	29.6	0	0	0	110.7	V220 K221	V220-D238 CarbonylContact C-O 3.51Å; K221-D238 PolarHBondContact N-O 2.92Å; K221-D238 PolarHBondContact O-N 3.43Å
239	T	76.7	Confident	74.1	Confident	2 Å²	2	37.1 Å²	37.1	1%	0.012	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	125.2	-179	56.6	0	0	0	0	109.3	K87 I175 P177 V220 L241	K87-T239 WeakPolarHBondContact CG-OG1 3.26Å; I175-T239 VanDerWaalsContact O-CG2 3.31Å; I175-T239 WeakPolarHBondContact O-CG2 3.48Å; P177-T239 HydrophobicContact CG-CG2 4.13Å; V220-T239 HydrophobicContact CG2-CG2 4.1Å; T239-L241 PolarHBondContact O-N 2.66Å
240	A	70.3	Confident	74.4	Confident	33 Å²	33	34.8 Å²	34.8	27%	0.273	19%	0.192	S	C	.	.			trans	-76	42.9	-176	0	0	0	0	0	113.4	Y218 T219 K221	Y218-A240 WeakPolarHBondContact CD1-O 3.38Å; T219-A240 WeakPolarHBondContact O-CB 3.22Å; T219-A240 PolarHBondContact O-N 3.12Å; K221-A240 HydrophobicContact CD-CB 4.45Å
241	L	75.1	Confident	73.8	Confident	8 Å²	8	34 Å²	34	4%	0.042	19%	0.191	C	C	.	.			trans	-73.8	129.3	177.8	-169.8	68.7	0	0	0	109.6	I108 V179 Y218 T239 Y245	I108-L241 HydrophobicContact CD1-CD2 3.69Å; V179-L241 HydrophobicContact CG2-CD1 4.12Å; Y218-L241 HydrophobicContact CD1-CD1 4.48Å; Y218-L241 HydrophobicContact CD2-CD1 3.46Å; Y218-L241 VanDerWaalsContact CD2-CD1 3.46Å; Y218-L241 HydrophobicContact CE1-CD1 4.46Å; Y218-L241 HydrophobicContact CE2-CD1 3.42Å; Y218-L241 VanDerWaalsContact CE2-CD1 3.42Å; Y218-L241 HydrophobicContact CG-CD1 4Å; T239-L241 PolarHBondContact O-N 2.66Å; L241-Y245 HydrophobicContact CD1-CG 4.49Å
242	P	72.2	Confident	72.5	Confident	14 Å²	14	35.2 Å²	35.2	9%	0.091	20%	0.203	C	C	.	.			trans	-57.6	145	177.1	-26.4	34.3	0	0	0	112	Y218 S244 Y245 S246	Y218-P242 HydrophobicContact CE1-CG 3.81Å; P242-S244 PolarHBondContact O-N 2.98Å; P242-S244 VanDerWaalsContact O-N 3.09Å; P242-Y245 HydrophobicContact CB-CD2 4.31Å; P242-Y245 HydrophobicContact CG-CD2 4.28Å; P242-Y245 PolarHBondContact O-N 3.14Å; P242-S246 PolarHBondContact O-N 3.2Å
243	P	69	Low	70.7	Confident	46 Å²	46	38.2 Å²	38.2	30%	0.299	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.5	-32.3	178.5	-32.4	40.6	0	0	0	114.9	L47 A49 Y245 S246	L47-P243 WeakPolarHBondContact O-CG 3.39Å; A49-P243 HydrophobicContact CB-CB 3.54Å; P243-Y245 PolarHBondContact O-N 2.97Å; P243-S246 VanDerWaalsContact CA-OG 3.3Å; P243-S246 WeakPolarHBondContact CA-OG 3.34Å; P243-S246 PolarHBondContact O-N 3.43Å; P243-S246 PolarHBondContact O-OG 3.42Å
244	S	76.1	Confident	68.4	Low	0 Å²	0	48.2 Å²	48.2	0%	0	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-28.3	175	46	0	0	0	0	113.3	C44 S46 Y52 C53 P242	C44-S244 WeakPolarHBondContact O-CB 3.45Å; C44-S244 PolarHBondContact O-OG 3.46Å; S46-S244 PolarHBondContact O-OG 2.96Å; Y52-S244 CarbonylContact C-O 3.56Å; Y52-S244 VanDerWaalsContact CA-O 3.25Å; Y52-S244 WeakPolarHBondContact CA-O 3.36Å; C53-S244 PolarHBondContact N-O 3.01Å; P242-S244 PolarHBondContact O-N 2.98Å; P242-S244 VanDerWaalsContact O-N 3.09Å
245	Y	80.4	Confident	66.1	Low	8 Å²	8	51.2 Å²	51.2	3%	0.031	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.6	-15.8	174.2	-70.5	-71.8	0	0	0	112.5	C44 C53 V179 N184 I186 L241 P242 P243 R247	C44-Y245 HydrophobicContact CB-CE2 3.97Å; C44-Y245 WeakPolarHBondContact CB-OH 3.34Å; C44-Y245 WeakPolarHBondContact O-CE2 3.16Å; C53-Y245 HydrophobicContact CB-CD1 4.03Å; C53-Y245 HydrophobicContact CB-CE1 3.7Å; C53-Y245 WeakPolarHBondContact O-CD1 3.46Å; C53-Y245 WeakPolarHBondContact O-CE1 3.27Å; V179-Y245 HydrophobicContact CG1-CD1 4.32Å; V179-Y245 HydrophobicContact CG1-CE1 3.79Å; V179-Y245 HydrophobicContact CG2-CD1 4.22Å; V179-Y245 HydrophobicContact CG2-CE1 4.45Å; V179-Y245 HydrophobicContact CG2-CG 4.38Å; N184-Y245 HydrophobicContact CB-CE1 4.49Å; N184-Y245 PolarHBondContact OD1-OH 3.15Å; I186-Y245 HydrophobicContact CD1-CD1 4.27Å; I186-Y245 WeakPolarHBondContact CD1-O 3.47Å; I186-Y245 HydrophobicContact CG1-CD1 4.18Å; L241-Y245 HydrophobicContact CD1-CG 4.49Å; P242-Y245 HydrophobicContact CB-CD2 4.31Å; P242-Y245 HydrophobicContact CG-CD2 4.28Å; P242-Y245 PolarHBondContact O-N 3.14Å; P243-Y245 PolarHBondContact O-N 2.97Å; Y245-R247 PolarHBondContact O-N 2.95Å
246	S	77.8	Confident	63.6	Low	11 Å²	11	59.1 Å²	59.1	8%	0.077	32%	0.324	C	S	.	.			trans	-93.3	62.4	-177.8	75.6	0	0	0	0	111.8	P242 P243 S248	P242-S246 PolarHBondContact O-N 3.2Å; P243-S246 VanDerWaalsContact CA-OG 3.3Å; P243-S246 WeakPolarHBondContact CA-OG 3.34Å; P243-S246 PolarHBondContact O-N 3.43Å; P243-S246 PolarHBondContact O-OG 3.42Å; S246-S248 PolarHBondContact O-N 2.91Å
247	R	80.1	Confident	61.2	Low	11 Å²	11	62.1 Å²	62.1	4%	0.042	34%	0.34	C	S	.	.			trans	-63.9	113.8	174.2	-173.5	-174.5	-66	-90.4	11.9	109.7	Y52 D54 D62 I108 Y109 Y245	Y52-R247 VanDerWaalsContact CB-NH2 3.3Å; Y52-R247 HydrophobicContact CD1-CB 3.74Å; Y52-R247 HydrophobicContact CD1-CG 4.15Å; Y52-R247 VanDerWaalsContact CD2-NH1 3.29Å; Y52-R247 HydrophobicContact CE1-CB 3.92Å; Y52-R247 HydrophobicContact CE1-CG 4.13Å; Y52-R247 HydrophobicContact CG-CB 4.38Å; Y52-R247 HydrophobicContact CG-CG 4.47Å; D54-R247 VanDerWaalsContact CG-NE 3.34Å; D54-R247 IonicContact OD1-CZ 2.78Å; D54-R247 IonicContact OD1-NE 3.82Å; D54-R247 PolarHBondContact OD1-NE 3.37Å; D54-R247 IonicContact OD1-NH2 3.33Å; D54-R247 PolarHBondContact OD1-NH2 3.03Å; D54-R247 WeakPolarHBondContact OD2-CB 3.16Å; D54-R247 VanDerWaalsContact OD2-CD 3.27Å; D54-R247 WeakPolarHBondContact OD2-CD 3.43Å; D54-R247 IonicContact OD2-CZ 2.7Å; D54-R247 IonicContact OD2-NE 3.19Å; D54-R247 PolarHBondContact OD2-NE 3.44Å; D54-R247 IonicContact OD2-NH2 3.59Å; D62-R247 VanDerWaalsContact CG-NH2 3.33Å; D62-R247 IonicContact OD1-CZ 3.84Å; D62-R247 IonicContact OD1-NH1 3.69Å; D62-R247 IonicContact OD1-NH2 2.75Å; D62-R247 PolarHBondContact OD1-NH2 3.34Å; D62-R247 IonicContact OD2-CZ 2.7Å; D62-R247 IonicContact OD2-NH1 3.74Å; D62-R247 PolarHBondContact OD2-NH1 2.93Å; D62-R247 IonicContact OD2-NH2 3.63Å; D62-R247 PolarHBondContact OD2-NH2 3.22Å; D62-R247 VanDerWaalsContact OD2-NH2 3.11Å; I108-R247 WeakPolarHBondContact CA-O 3.35Å; Y109-R247 HydrophobicContact CD2-CB 4.38Å; Y109-R247 HydrophobicContact CD2-CG 4.08Å; Y109-R247 PolarHBondContact N-O 3.34Å; Y245-R247 PolarHBondContact O-N 2.95Å
248	S	79.3	Confident	58.4	Low	68 Å²	68	67.4 Å²	67.4	48%	0.476	37%	0.372	S	S	.	.	B	Isolated β-bridge	trans	-63.6	139.8	178.3	-54.7	0	0	0	0	111.5	E107 S246	E107-S248 WeakPolarHBondContact O-CA 3.08Å; S246-S248 PolarHBondContact O-N 2.91Å
249	C	76.8	Confident	56	Low	7 Å²	7	69 Å²	69	5%	0.047	39%	0.385	C	S	.	.			trans	-71.2	149.3	167.5	-77.9	0	0	0	0	111.3	C84 E107 Y109 T251	C84-C249 WeakPolarHBondContact CA-SG 3.41Å; C84-C249 HydrophobicContact CB-CB 3.9Å; C84-C249 WeakPolarHBondContact CB-SG 3.37Å; C84-C249 WeakPolarHBondContact SG-CB 3.19Å; C84-C249 CovalentContact SG-SG 2.03Å; C84-C249 PolarHBondContact SG-SG 2.86Å; E107-C249 HydrophobicContact CB-CB 4.02Å; E107-C249 PolarHBondContact O-N 3.07Å; Y109-C249 HydrophobicContact CE2-CB 4.35Å; C249-T251 PolarHBondContact O-N 3.49Å
250	P	63.8	Low	53.6	Low	104 Å²	104	74.8 Å²	74.8	68%	0.675	42%	0.415	S	S	*	.			trans	-64.6	104.2	170.3	1.2	7.8	0	0	0	108.9	Y109	Y109-P250 WeakPolarHBondContact OH-CD 3.31Å
251	T	50.3	Low	51.4	Low	83 Å²	83	76.2 Å²	76.2	51%	0.509	42%	0.423	S	S	.	.			trans	-81.2	123.7	170.8	47.6	0	0	0	0	109.1	C249 L253	C249-T251 PolarHBondContact O-N 3.49Å; T251-L253 PolarHBondContact O-N 3.48Å
252	L	38.2	Very low	49	Very low	171 Å²	171	80.4 Å²	80.4	90%	0.895	44%	0.444	S	S	*	.	S	Bend	trans	-69.8	-7.7	-179.5	-103.6	159.8	0	0	0	114.3
253	L	35.4	Very low	46.9	Very low	130 Å²	130	84.4 Å²	84.4	68%	0.681	47%	0.472	S	S	*	.			trans	-138.6	106.3	177.5	-76.7	101.5	0	0	0	110.1	T251	T251-L253 PolarHBondContact O-N 3.48Å
254	R	28.3	Very low	45	Very low	227 Å²	227	89.2 Å²	89.2	86%	0.857	50%	0.495	S	S	*	.			trans	-108.2	66.1	158.9	-148.5	-178.7	-163.1	-175.3	5.9	106.9	N256	R254-N256 PolarHBondContact O-N 3.28Å
255	S	26.2	Very low	43.3	Very low	66 Å²	66	95.5 Å²	95.5	46%	0.462	52%	0.522	S	S	.	.			trans	-77.3	113.7	174.6	41.7	0	0	0	0	109.6	I257	S255-I257 WeakPolarHBondContact O-CG1 3.41Å; S255-I257 PolarHBondContact O-N 3.48Å
256	N	25.1	Very low	41.9	Very low	165 Å²	165	99.8 Å²	99.8	88%	0.882	54%	0.538	S	S	*	.			trans	2.3	84.9	159.9	-64.6	-21.8	0	0	0	116	R254	R254-N256 PolarHBondContact O-N 3.28Å
257	I	26.6	Very low	41.2	Very low	105 Å²	105	99.9 Å²	99.9	54%	0.538	54%	0.538	S	S	.	.			trans	-80.7	124.7	176.2	-61.3	175.3	0	0	0	109.4	L104 S255	L104-I257 HydrophobicContact CD2-CD1 3.71Å; L104-I257 HydrophobicContact CG-CD1 3.93Å; S255-I257 WeakPolarHBondContact O-CG1 3.41Å; S255-I257 PolarHBondContact O-N 3.48Å
258	T	23.2	Very low	40.6	Very low	110 Å²	110	102.8 Å²	102.8	68%	0.675	55%	0.549	S	S	*	.			trans	-66.2	147.6	171.6	28.7	0	0	0	0	111.9	L260	T258-L260 PolarHBondContact O-N 3.4Å
259	P	25.8	Very low	40	Very low	81 Å²	81	100 Å²	100	53%	0.526	53%	0.528	S	S	.	.			trans	-80.2	75.2	-165.4	32.4	-35	0	0	0	112.8	S261	P259-S261 PolarHBondContact O-N 3.46Å
260	L	24.9	Very low	39.4	Very low	123 Å²	123	101.2 Å²	101.2	64%	0.644	53%	0.533	S	S	*	.			trans	-90.3	76.9	178.3	-155.4	82.6	0	0	0	112.1	T258	T258-L260 PolarHBondContact O-N 3.4Å
261	S	24.8	Very low	39.5	Very low	62 Å²	62	99 Å²	99	43%	0.434	51%	0.514	S	S	.	.			trans	-172.7	38.7	157.5	167.9	0	0	0	0	110.3	P259 S263	P259-S261 PolarHBondContact O-N 3.46Å; S261-S263 VanDerWaalsContact C-N 3.27Å; S261-S263 PolarHBondContact O-N 2.93Å
262	M	24.5	Very low	40.5	Very low	97 Å²	97	95.3 Å²	95.3	48%	0.478	49%	0.491	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.1	-7	-172.9	-116.9	-162	177.9	0	0	115.1	R266	M262-R266 PolarHBondContact O-NE 3.18Å; M262-R266 VanDerWaalsContact O-NE 3.09Å; M262-R266 PolarHBondContact O-NH2 3.5Å
263	S	27.4	Very low	41.6	Very low	98 Å²	98	87.2 Å²	87.2	69%	0.685	45%	0.448	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.7	-53.2	-170.7	-176.9	0	0	0	0	114	S261	S261-S263 VanDerWaalsContact C-N 3.27Å; S261-S263 PolarHBondContact O-N 2.93Å
264	N	29.8	Very low	42.6	Very low	147 Å²	147	82.7 Å²	82.7	79%	0.786	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.1	-7.6	-167.4	-79.6	-3	0	0	0	115.9
265	K	40.5	Very low	43.7	Very low	131 Å²	131	73.6 Å²	73.6	57%	0.57	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.6	-3.7	-178.9	-69.4	-173.1	-177.3	177.1	0	114.6	I267	K265-I267 PolarHBondContact O-N 3.25Å
266	R	51.2	Low	44.9	Very low	98 Å²	98	71.2 Å²	71.2	37%	0.37	38%	0.381	S	S	.	.	S	Bend	trans	-78.6	123.6	-179	-95.9	-175.5	-99.7	-151	-7.5	110.2	M262 R268	M262-R266 PolarHBondContact O-NE 3.18Å; M262-R266 VanDerWaalsContact O-NE 3.09Å; M262-R266 PolarHBondContact O-NH2 3.5Å; R266-R268 WeakPolarHBondContact O-CG 3.2Å; R266-R268 PolarHBondContact O-N 3.34Å
267	I	62.6	Low	45.9	Very low	14 Å²	14	71 Å²	71	7%	0.072	38%	0.375	C	S	.	.	P	Polyproline II helix	trans	-61.5	117.6	163.5	-62.7	168.3	0	0	0	107.3	K265 E271 F272 R534 P535 W536	K265-I267 PolarHBondContact O-N 3.25Å; I267-E271 WeakPolarHBondContact CA-OE2 3.5Å; I267-F272 HydrophobicContact CG2-CD1 4.38Å; I267-F272 HydrophobicContact CG2-CE1 3.78Å; I267-F272 HydrophobicContact CG2-CE2 4.24Å; I267-F272 HydrophobicContact CG2-CZ 3.69Å; I267-R534 HydrophobicContact CD1-CG 4.17Å; I267-P535 HydrophobicContact CD1-CG 4Å; I267-W536 HydrophobicContact CD1-CB 3.85Å
268	R	68.1	Low	46.6	Very low	71 Å²	71	71.4 Å²	71.4	27%	0.268	37%	0.373	S	S	.	.	P	Polyproline II helix	trans	-89.7	147.3	-177.4	-61.4	-173.3	-86.2	-166.4	-2.1	109.7	R266 H270 E271 E307	R266-R268 WeakPolarHBondContact O-CG 3.2Å; R266-R268 PolarHBondContact O-N 3.34Å; R268-H270 WeakPolarHBondContact CB-CE1 3.17Å; R268-H270 WeakPolarHBondContact CB-ND1 3.33Å; R268-H270 PolarHBondContact O-N 3.2Å; R268-H270 VanDerWaalsContact O-N 3.1Å; R268-E271 HydrophobicContact CB-CG 4.17Å; R268-E271 PolarHBondContact N-OE2 3.43Å; R268-E271 IonicContact NE-OE1 3.18Å; R268-E271 PolarHBondContact NE-OE1 3.19Å; R268-E271 VanDerWaalsContact O-CB 3.28Å; R268-E271 WeakPolarHBondContact O-CB 3.48Å; R268-E271 PolarHBondContact O-N 3.33Å; R268-E307 IonicContact NH1-OE2 2.62Å
269	W	66.7	Low	47.6	Very low	10 Å²	10	71.3 Å²	71.3	4%	0.038	36%	0.361	C	S	.	.	G	3₁₀ helix	trans	-57.2	-33.2	-173.2	-167.8	-92.9	0	0	0	114.1	E271 F272 Q314 L357 L358 Y361 W614 S637	W269-E271 PolarHBondContact O-N 2.98Å; W269-F272 HydrophobicContact CD2-CD2 4.26Å; W269-F272 HydrophobicContact CD2-CE2 4.43Å; W269-F272 HydrophobicContact CE3-CD2 4.12Å; W269-F272 AromaticContact CE3-CE2 3.87Å; W269-F272 HydrophobicContact CE3-CE2 3.87Å; W269-F272 HydrophobicContact CG-CD2 4.47Å; W269-F272 HydrophobicContact CZ3-CE2 4.4Å; W269-F272 WeakPolarHBondContact O-CD2 3.41Å; W269-F272 PolarHBondContact O-N 3.08Å; W269-Q314 HydrophobicContact CB-CG 4.3Å; W269-Q314 VanDerWaalsContact CB-NE2 3.33Å; W269-L357 HydrophobicContact CH2-CD2 3.97Å; W269-L357 HydrophobicContact CH2-CG 3.97Å; W269-L357 HydrophobicContact CZ2-CD2 4.41Å; W269-L358 HydrophobicContact CH2-CD2 3.81Å; W269-L358 HydrophobicContact CZ2-CD2 4.3Å; W269-L358 HydrophobicContact CZ3-CD2 4.35Å; W269-Y361 HydrophobicContact CB-CE2 4.25Å; W269-Y361 AromaticContact CE3-CD1 3.58Å; W269-Y361 HydrophobicContact CE3-CD1 3.58Å; W269-Y361 AromaticContact CE3-CD2 3.48Å; W269-Y361 HydrophobicContact CE3-CD2 3.48Å; W269-Y361 VanDerWaalsContact CE3-CD2 3.48Å; W269-Y361 AromaticContact CE3-CE1 3.81Å; W269-Y361 HydrophobicContact CE3-CE1 3.81Å; W269-Y361 AromaticContact CE3-CE2 3.7Å; W269-Y361 HydrophobicContact CE3-CE2 3.7Å; W269-Y361 AromaticContact CE3-CG 3.4Å; W269-Y361 HydrophobicContact CE3-CG 3.4Å; W269-Y361 VanDerWaalsContact CE3-CG 3.4Å; W269-Y361 AromaticContact CE3-CZ 3.86Å; W269-Y361 VanDerWaalsContact CZ3-CB 3.48Å; W269-Y361 AromaticContact CZ3-CD1 3.72Å; W269-Y361 HydrophobicContact CZ3-CD1 3.72Å; W269-Y361 AromaticContact CZ3-CD2 3.87Å; W269-Y361 HydrophobicContact CZ3-CD2 3.87Å; W269-Y361 HydrophobicContact CZ3-CE1 4.4Å; W269-Y361 AromaticContact CZ3-CG 3.4Å; W269-Y361 HydrophobicContact CZ3-CG 3.4Å; W269-Y361 VanDerWaalsContact CZ3-CG 3.4Å; W269-W614 HydrophobicContact CZ2-CH2 4.26Å; W269-S637 PolarHBondContact NE1-OG 2.95Å; W269-S637 VanDerWaalsContact NE1-OG 3.12Å
270	H	64.9	Low	48.4	Very low	33 Å²	33	68.8 Å²	68.8	15%	0.153	34%	0.342	C	S	.	.	G	3₁₀ helix	trans	-67.9	-19.7	177.2	65.1	-80.8	0	0	0	113.6	R268 Q617 G630 R631	R268-H270 WeakPolarHBondContact CB-CE1 3.17Å; R268-H270 WeakPolarHBondContact CB-ND1 3.33Å; R268-H270 PolarHBondContact O-N 3.2Å; R268-H270 VanDerWaalsContact O-N 3.1Å; H270-Q617 PolarHBondContact O-NE2 3.46Å; H270-G630 WeakPolarHBondContact CB-O 3.14Å; H270-R631 PolarHBondContact CE1-NE 3.37Å; H270-R631 VanDerWaalsContact CE1-NE 3.26Å; H270-R631 PolarHBondContact CE1-NH1 3.29Å; H270-R631 PolarHBondContact ND1-NH1 2.87Å
271	E	66	Low	48.7	Very low	58 Å²	58	66.3 Å²	66.3	27%	0.271	35%	0.346	S	S	.	.	G	3₁₀ helix	trans	-78.5	-19.1	-179	-60.9	170.3	178.4	0	0	112.4	I267 R268 W269 L273	I267-E271 WeakPolarHBondContact CA-OE2 3.5Å; R268-E271 HydrophobicContact CB-CG 4.17Å; R268-E271 PolarHBondContact N-OE2 3.43Å; R268-E271 IonicContact NE-OE1 3.18Å; R268-E271 PolarHBondContact NE-OE1 3.19Å; R268-E271 VanDerWaalsContact O-CB 3.28Å; R268-E271 WeakPolarHBondContact O-CB 3.48Å; R268-E271 PolarHBondContact O-N 3.33Å; W269-E271 PolarHBondContact O-N 2.98Å; E271-L273 VanDerWaalsContact C-N 3.26Å; E271-L273 PolarHBondContact O-N 3.19Å
272	F	69.8	Low	49.3	Very low	4 Å²	4	69.4 Å²	69.4	2%	0.018	35%	0.352	C	S	.	.	G	3₁₀ helix	trans	-64.8	-28.5	-179.8	-71.7	-63	0	0	0	113.5	I267 W269 Y361 I386 F390 W536 F547	I267-F272 HydrophobicContact CG2-CD1 4.38Å; I267-F272 HydrophobicContact CG2-CE1 3.78Å; I267-F272 HydrophobicContact CG2-CE2 4.24Å; I267-F272 HydrophobicContact CG2-CZ 3.69Å; W269-F272 HydrophobicContact CD2-CD2 4.26Å; W269-F272 HydrophobicContact CD2-CE2 4.43Å; W269-F272 HydrophobicContact CE3-CD2 4.12Å; W269-F272 AromaticContact CE3-CE2 3.87Å; W269-F272 HydrophobicContact CE3-CE2 3.87Å; W269-F272 HydrophobicContact CG-CD2 4.47Å; W269-F272 HydrophobicContact CZ3-CE2 4.4Å; W269-F272 WeakPolarHBondContact O-CD2 3.41Å; W269-F272 PolarHBondContact O-N 3.08Å; F272-Y361 AromaticContact CE2-CD2 3.85Å; F272-Y361 HydrophobicContact CE2-CD2 3.85Å; F272-Y361 HydrophobicContact CE2-CE2 4.12Å; F272-Y361 HydrophobicContact CZ-CD2 4.27Å; F272-I386 HydrophobicContact CD1-CG2 4.3Å; F272-I386 HydrophobicContact CE1-CD1 4.48Å; F272-I386 HydrophobicContact CE1-CG2 3.83Å; F272-I386 HydrophobicContact CZ-CG2 4.49Å; F272-F390 HydrophobicContact CB-CE1 4.49Å; F272-F390 HydrophobicContact CB-CE2 3.96Å; F272-F390 HydrophobicContact CB-CZ 3.59Å; F272-F390 AromaticContact CD1-CE2 3.79Å; F272-F390 HydrophobicContact CD1-CE2 3.79Å; F272-F390 HydrophobicContact CD1-CZ 4.25Å; F272-F390 HydrophobicContact CD2-CE2 4.22Å; F272-F390 HydrophobicContact CD2-CZ 4.02Å; F272-F390 HydrophobicContact CE1-CE2 4.36Å; F272-F390 AromaticContact CG-CE2 3.74Å; F272-F390 HydrophobicContact CG-CE2 3.74Å; F272-F390 AromaticContact CG-CZ 3.71Å; F272-F390 HydrophobicContact CG-CZ 3.71Å; F272-W536 HydrophobicContact CB-CZ2 4.46Å; F272-W536 AromaticContact CD1-CD2 3.78Å; F272-W536 HydrophobicContact CD1-CD2 3.78Å; F272-W536 AromaticContact CD1-CE2 3.68Å; F272-W536 HydrophobicContact CD1-CE3 4.15Å; F272-W536 HydrophobicContact CD1-CG 4.23Å; F272-W536 HydrophobicContact CD1-CH2 4.3Å; F272-W536 AromaticContact CD1-CZ2 3.94Å; F272-W536 HydrophobicContact CD1-CZ2 3.94Å; F272-W536 HydrophobicContact CD1-CZ3 4.42Å; F272-W536 HydrophobicContact CE1-CD2 4.08Å; F272-W536 HydrophobicContact CE1-CE3 4.22Å; F272-W536 HydrophobicContact CE1-CG 4.37Å; F272-F547 WeakPolarHBondContact O-CE1 3.28Å
273	L	61.3	Low	49.5	Very low	1 Å²	1	73.7 Å²	73.7	1%	0.005	37%	0.371	C	S	.	.	G	3₁₀ helix	trans	-127.4	23.4	-178.7	-130.2	105.3	0	0	0	112.8	E271 F394 F547 T551 W614 Q617 I618 S621	E271-L273 VanDerWaalsContact C-N 3.26Å; E271-L273 PolarHBondContact O-N 3.19Å; L273-F394 HydrophobicContact CD1-CZ 4.26Å; L273-F547 HydrophobicContact CD1-CE1 3.65Å; L273-F547 HydrophobicContact CD1-CZ 3.96Å; L273-F547 HydrophobicContact CG-CE1 4.4Å; L273-T551 HydrophobicContact CD1-CG2 4.4Å; L273-W614 HydrophobicContact CD1-CE3 4.09Å; L273-W614 HydrophobicContact CD1-CZ3 4.39Å; L273-Q617 HydrophobicContact CB-CB 4.5Å; L273-Q617 HydrophobicContact CB-CG 3.66Å; L273-Q617 HydrophobicContact CD2-CB 4.23Å; L273-Q617 HydrophobicContact CD2-CG 4.28Å; L273-I618 HydrophobicContact CD2-CD1 4Å; L273-I618 HydrophobicContact CD2-CG1 3.29Å; L273-S621 PolarHBondContact O-OG 2.95Å
274	A	56.8	Low	49.7	Very low	36 Å²	36	75.1 Å²	75.1	30%	0.298	37%	0.368	S	S	.	.	P	Polyproline II helix	trans	-77.9	131.5	176.8	0	0	0	0	0	110.9	F543	A274-F543 VanDerWaalsContact O-CE1 3.31Å; A274-F543 WeakPolarHBondContact O-CE1 3.31Å
275	L	51.3	Low	49.6	Very low	36 Å²	36	75 Å²	75	19%	0.188	37%	0.368	C	S	.	.	P	Polyproline II helix	trans	-65.9	130.3	168.5	-79.8	157.7	0	0	0	109.1	Q277 L280 L548 S621 L622	L275-Q277 PolarHBondContact O-N 3.32Å; L275-L280 HydrophobicContact CB-CD1 4.33Å; L275-L280 HydrophobicContact CD1-CD2 4.35Å; L275-L548 HydrophobicContact CD2-CD2 3.62Å; L275-S621 PolarHBondContact N-OG 3.36Å; L275-L622 HydrophobicContact CD1-CB 4.45Å; L275-L622 HydrophobicContact CD1-CD2 3.39Å; L275-L622 HydrophobicContact CD1-CG 3.55Å
276	P	50.7	Low	49.2	Very low	15 Å²	15	73.9 Å²	73.9	10%	0.097	37%	0.372	C	S	.	.	P	Polyproline II helix	trans	-63	130.7	175	-18.4	28.8	0	0	0	110.9	K278 Y279 N540 F543	P276-K278 PolarHBondContact O-N 3.03Å; P276-Y279 HydrophobicContact CB-CD2 3.84Å; P276-Y279 HydrophobicContact CB-CE2 4.11Å; P276-Y279 HydrophobicContact CG-CD2 3.86Å; P276-Y279 HydrophobicContact CG-CE2 3.89Å; P276-Y279 PolarHBondContact O-N 3.06Å; P276-N540 HydrophobicContact CB-CB 3.86Å; P276-N540 WeakPolarHBondContact CB-ND2 3.47Å; P276-N540 WeakPolarHBondContact CB-OD1 3.4Å; P276-N540 HydrophobicContact CG-CB 3.81Å; P276-F543 HydrophobicContact CG-CD1 4.05Å
277	Q	47.4	Very low	48.2	Very low	162 Å²	162	75 Å²	75	76%	0.757	39%	0.385	S	S	*	.	G	3₁₀ helix	trans	-50.3	-34.4	-177	-73.5	176	-25.3	0	0	113.6	L275 Y279 L280	L275-Q277 PolarHBondContact O-N 3.32Å; Q277-Y279 PolarHBondContact O-N 3.35Å; Q277-L280 PolarHBondContact O-N 2.86Å
278	K	41.7	Very low	46.9	Very low	113 Å²	113	83.4 Å²	83.4	49%	0.491	42%	0.424	S	S	.	.	G	3₁₀ helix	trans	-53.9	-26.3	177.1	-174.2	-178.8	168.2	-162.3	0	114.1	P276 E541	P276-K278 PolarHBondContact O-N 3.03Å; K278-E541 IonicContact NZ-OE1 2.65Å; K278-E541 PolarHBondContact NZ-OE1 3.07Å
279	Y	43.7	Very low	45.3	Very low	108 Å²	108	89.3 Å²	89.3	42%	0.424	46%	0.455	S	S	.	.	G	3₁₀ helix	trans	-91.5	-13.6	178.7	-64.1	-69.3	0	0	0	114	P276 Q277 N540	P276-Y279 HydrophobicContact CB-CD2 3.84Å; P276-Y279 HydrophobicContact CB-CE2 4.11Å; P276-Y279 HydrophobicContact CG-CD2 3.86Å; P276-Y279 HydrophobicContact CG-CE2 3.89Å; P276-Y279 PolarHBondContact O-N 3.06Å; Q277-Y279 PolarHBondContact O-N 3.35Å; Y279-N540 HydrophobicContact CE2-CB 4Å
280	L	42.4	Very low	44	Very low	28 Å²	28	97.9 Å²	97.9	15%	0.147	50%	0.496	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85	-12.3	-176.4	-67.4	166.8	0	0	0	112.3	L275 Q277 F282 S621 L622 P624	L275-L280 HydrophobicContact CB-CD1 4.33Å; L275-L280 HydrophobicContact CD1-CD2 4.35Å; Q277-L280 PolarHBondContact O-N 2.86Å; L280-F282 HydrophobicContact CB-CD2 3.67Å; L280-F282 HydrophobicContact CB-CE2 3.95Å; L280-F282 HydrophobicContact CD2-CE2 4.48Å; L280-F282 WeakPolarHBondContact O-CD2 3.43Å; L280-F282 WeakPolarHBondContact O-CE2 3.48Å; L280-F282 PolarHBondContact O-N 3.32Å; L280-S621 WeakPolarHBondContact CD1-O 3.3Å; L280-L622 HydrophobicContact CD2-CD2 3.99Å; L280-P624 HydrophobicContact CD1-CB 4.13Å; L280-P624 HydrophobicContact CD1-CG 3.88Å
281	G	31.5	Very low	42.6	Very low	70 Å²	70	105.4 Å²	105.4	72%	0.722	53%	0.531	S	S	*	.			trans	64.1	6.4	170.7	0	0	0	0	0	115.3	E283	G281-E283 PolarHBondContact O-N 3.38Å; G281-E283 VanDerWaalsContact O-N 3.14Å
282	F	36.1	Very low	41.6	Very low	127 Å²	127	107.4 Å²	107.4	56%	0.557	54%	0.54	S	S	*	.			trans	-83.5	86.1	176	-56.8	-63.8	0	0	0	108.8	L280 M284 P624	L280-F282 HydrophobicContact CB-CD2 3.67Å; L280-F282 HydrophobicContact CB-CE2 3.95Å; L280-F282 HydrophobicContact CD2-CE2 4.48Å; L280-F282 WeakPolarHBondContact O-CD2 3.43Å; L280-F282 WeakPolarHBondContact O-CE2 3.48Å; L280-F282 PolarHBondContact O-N 3.32Å; F282-M284 PolarHBondContact O-N 3.17Å; F282-P624 HydrophobicContact CD2-CG 4.01Å; F282-P624 HydrophobicContact CE2-CG 4.46Å
283	E	30.5	Very low	40.7	Very low	187 Å²	187	115.7 Å²	115.7	87%	0.874	58%	0.579	S	S	*	*			trans	-67.5	103.5	156.6	-107.2	172.2	168.3	0	0	106.8	G281 D285	G281-E283 PolarHBondContact O-N 3.38Å; G281-E283 VanDerWaalsContact O-N 3.14Å; E283-D285 PolarHBondContact O-N 3.39Å; E283-D285 VanDerWaalsContact O-N 3.08Å
284	M	30.3	Very low	40	Very low	128 Å²	128	123.4 Å²	123.4	63%	0.631	62%	0.615	S	S	*	*			trans	-71.5	97	171.7	-76.1	-81.8	-72.1	0	0	108.1	F282 T286	F282-M284 PolarHBondContact O-N 3.17Å; M284-T286 PolarHBondContact O-N 2.93Å; M284-T286 PolarHBondContact O-OG1 3.48Å
285	D	28.7	Very low	39.6	Very low	145 Å²	145	126.5 Å²	126.5	78%	0.775	62%	0.623	S	S	*	*			trans	-63.8	87.8	163.1	-91.7	-31.2	0	0	0	108.3	E283 N287	E283-D285 PolarHBondContact O-N 3.39Å; E283-D285 VanDerWaalsContact O-N 3.08Å; D285-N287 PolarHBondContact O-N 3.38Å
286	T	32	Very low	39.7	Very low	107 Å²	107	130.1 Å²	130.1	66%	0.656	64%	0.639	S	S	*	*			trans	-82.1	74.5	171.1	32	0	0	0	0	108.3	M284	M284-T286 PolarHBondContact O-N 2.93Å; M284-T286 PolarHBondContact O-OG1 3.48Å
287	N	30.5	Very low	39.8	Very low	122 Å²	122	133.3 Å²	133.3	65%	0.652	65%	0.653	S	S	*	*			trans	-120.7	84	169.3	-72.2	-31.2	0	0	0	108.8	D285	D285-N287 PolarHBondContact O-N 3.38Å
288	E	34.9	Very low	40.1	Very low	190 Å²	190	132.8 Å²	132.8	89%	0.888	65%	0.648	S	S	*	*			trans	-163.1	76.7	162	-102.1	165.8	-144.6	0	0	104.2
289	E	35.1	Very low	40.9	Very low	195 Å²	195	132.5 Å²	132.5	91%	0.911	65%	0.647	S	S	*	*				66.2	124.6	99.9	-78.5	-169.2	178.8	0	0	114.5	Q291	E289-Q291 PolarHBondContact O-N 3.09Å
290	E	37.9	Very low	42.1	Very low	191 Å²	191	130 Å²	130	89%	0.893	65%	0.645	S	S	*	*	S	Bend	trans	-60.3	111.8	-171.4	-67.1	160.6	159.6	0	0	111.8
291	Q	35.3	Very low	43.3	Very low	191 Å²	191	131.4 Å²	131.4	89%	0.893	66%	0.655	S	S	*	*			trans	-178.7	53.5	149.8	-105.1	170.3	20.9	0	0	112.5	E289	E289-Q291 PolarHBondContact O-N 3.09Å
292	E	44.9	Very low	45.2	Very low	100 Å²	100	132.4 Å²	132.4	47%	0.467	65%	0.647	S	S	.	*			trans	-152.9	35.3	174.4	-115	-177.5	-123.7	0	0	114.3	E294 E295 E296 K299	E292-E294 PolarHBondContact O-N 3.29Å; E292-E295 HydrophobicContact CG-CB 3.97Å; E292-E295 PolarHBondContact O-N 3.08Å; E292-E296 WeakPolarHBondContact O-CB 3.5Å; E292-E296 PolarHBondContact O-N 3.32Å; E292-K299 IonicContact OE2-NZ 2.99Å; E292-K299 PolarHBondContact OE2-NZ 3.42Å
293	E	51.6	Low	46.8	Very low	177 Å²	177	129.6 Å²	129.6	83%	0.827	64%	0.637	S	S	*	*	H	α-helix	trans	-61.2	-34.7	-175.8	-71	-173.2	157.8	0	0	114.3	E297	E293-E297 PolarHBondContact O-N 3.1Å
294	E	46.6	Very low	48.7	Very low	163 Å²	163	129.3 Å²	129.3	76%	0.762	63%	0.628	S	S	*	*	H	α-helix	trans	-79.2	-31.3	178.1	-79.8	-165.9	161.4	0	0	113.6	E292 K298	E292-E294 PolarHBondContact O-N 3.29Å; E294-K298 PolarHBondContact O-N 3.1Å
295	E	49.3	Very low	50.8	Low	101 Å²	101	127.4 Å²	127.4	47%	0.472	62%	0.62	S	S	.	*	H	α-helix	trans	-79.6	-32.9	179.8	-146.5	179.4	143.3	0	0	111.1	E292 K298 K299	E292-E295 HydrophobicContact CG-CB 3.97Å; E292-E295 PolarHBondContact O-N 3.08Å; E295-K298 PolarHBondContact O-N 3.16Å; E295-K299 WeakPolarHBondContact O-CB 3.32Å; E295-K299 VanDerWaalsContact O-CG 3.31Å; E295-K299 WeakPolarHBondContact O-CG 3.4Å; E295-K299 PolarHBondContact O-N 3.32Å; E295-K299 WeakPolarHBondContact OE1-CE 3.45Å; E295-K299 IonicContact OE1-NZ 2.86Å; E295-K299 PolarHBondContact OE1-NZ 3.19Å
296	E	53.4	Low	53	Low	112 Å²	112	122.6 Å²	122.6	52%	0.523	60%	0.595	S	S	.	*	H	α-helix	trans	-65.6	-37.7	170.7	-100.1	-166.7	144.2	0	0	113.1	E292 K298 K299 S300	E292-E296 WeakPolarHBondContact O-CB 3.5Å; E292-E296 PolarHBondContact O-N 3.32Å; E296-K298 VanDerWaalsContact C-N 3.32Å; E296-K298 PolarHBondContact O-N 2.94Å; E296-K299 PolarHBondContact O-N 2.87Å; E296-S300 WeakPolarHBondContact O-CB 3.48Å; E296-S300 PolarHBondContact O-N 2.85Å; E296-S300 PolarHBondContact O-OG 2.83Å
297	E	52.2	Low	55	Low	83 Å²	83	119.9 Å²	119.9	39%	0.388	58%	0.575	S	S	.	*	H	α-helix	trans	-63	-41.1	175.5	-167.1	-177.1	170.8	0	0	110.7	K229 E293 S300 T301	K229-E297 IonicContact NZ-OE1 3.66Å; K229-E297 PolarHBondContact NZ-OE1 3.47Å; E293-E297 PolarHBondContact O-N 3.1Å; E297-S300 WeakPolarHBondContact CA-OG 3.48Å; E297-S300 PolarHBondContact O-OG 3.19Å; E297-T301 VanDerWaalsContact O-CB 3.27Å; E297-T301 WeakPolarHBondContact O-CB 3.39Å; E297-T301 PolarHBondContact O-N 3.21Å; E297-T301 PolarHBondContact O-OG1 2.73Å
298	K	54.4	Low	57.2	Low	151 Å²	151	117.4 Å²	117.4	66%	0.657	57%	0.567	S	S	*	*	H	α-helix	trans	-66.2	-48.9	174.5	-75.5	178.7	-176.7	164.5	0	111.6	E294 E295 E296 S300 T301 V302	E294-K298 PolarHBondContact O-N 3.1Å; E295-K298 PolarHBondContact O-N 3.16Å; E296-K298 VanDerWaalsContact C-N 3.32Å; E296-K298 PolarHBondContact O-N 2.94Å; K298-S300 PolarHBondContact O-N 3.38Å; K298-T301 PolarHBondContact O-N 3.42Å; K298-V302 WeakPolarHBondContact O-CB 3.35Å; K298-V302 VanDerWaalsContact O-CG2 3.25Å; K298-V302 WeakPolarHBondContact O-CG2 3.27Å; K298-V302 PolarHBondContact O-N 3.22Å
299	K	58.8	Low	59.5	Low	106 Å²	106	113.2 Å²	113.2	46%	0.461	55%	0.55	S	S	.	.	H	α-helix	trans	-58.9	-44.8	178.4	-75.1	169.5	-174.6	162.8	0	111.3	E292 E295 E296 L303	E292-K299 IonicContact OE2-NZ 2.99Å; E292-K299 PolarHBondContact OE2-NZ 3.42Å; E295-K299 WeakPolarHBondContact O-CB 3.32Å; E295-K299 VanDerWaalsContact O-CG 3.31Å; E295-K299 WeakPolarHBondContact O-CG 3.4Å; E295-K299 PolarHBondContact O-N 3.32Å; E295-K299 WeakPolarHBondContact OE1-CE 3.45Å; E295-K299 IonicContact OE1-NZ 2.86Å; E295-K299 PolarHBondContact OE1-NZ 3.19Å; E296-K299 PolarHBondContact O-N 2.87Å; K299-L303 VanDerWaalsContact O-CB 3.32Å; K299-L303 WeakPolarHBondContact O-CB 3.23Å; K299-L303 PolarHBondContact O-N 2.9Å
300	S	67.5	Low	61.8	Low	57 Å²	57	106.1 Å²	106.1	40%	0.399	52%	0.516	S	S	.	.	H	α-helix	trans	-68.8	-38.7	178.9	62.9	0	0	0	0	113.1	E296 E297 K298 L303 R304	E296-S300 WeakPolarHBondContact O-CB 3.48Å; E296-S300 PolarHBondContact O-N 2.85Å; E296-S300 PolarHBondContact O-OG 2.83Å; E297-S300 WeakPolarHBondContact CA-OG 3.48Å; E297-S300 PolarHBondContact O-OG 3.19Å; K298-S300 PolarHBondContact O-N 3.38Å; S300-L303 PolarHBondContact O-N 3.03Å; S300-R304 WeakPolarHBondContact O-CB 3.45Å; S300-R304 PolarHBondContact O-N 3.44Å
301	T	68.4	Low	63.8	Low	56 Å²	56	99.1 Å²	99.1	34%	0.344	49%	0.485	S	S	.	.	H	α-helix	trans	-66.3	-45.1	175.3	-58	0	0	0	0	111.2	E297 K298 L303 R304 I305	E297-T301 VanDerWaalsContact O-CB 3.27Å; E297-T301 WeakPolarHBondContact O-CB 3.39Å; E297-T301 PolarHBondContact O-N 3.21Å; E297-T301 PolarHBondContact O-OG1 2.73Å; K298-T301 PolarHBondContact O-N 3.42Å; T301-L303 VanDerWaalsContact C-N 3.33Å; T301-L303 PolarHBondContact O-N 3.28Å; T301-R304 PolarHBondContact O-N 3.31Å; T301-I305 HydrophobicContact CG2-CD1 3.99Å; T301-I305 WeakPolarHBondContact O-CG1 3.48Å; T301-I305 PolarHBondContact O-N 3.33Å
302	V	71.6	Confident	66.1	Low	91 Å²	91	93.8 Å²	93.8	55%	0.552	47%	0.465	S	S	*	.	H	α-helix	trans	-60.8	-43.6	175.2	170.4	0	0	0	0	110.5	K298 I305 T306	K298-V302 WeakPolarHBondContact O-CB 3.35Å; K298-V302 VanDerWaalsContact O-CG2 3.25Å; K298-V302 WeakPolarHBondContact O-CG2 3.27Å; K298-V302 PolarHBondContact O-N 3.22Å; V302-I305 PolarHBondContact O-N 3.42Å; V302-T306 VanDerWaalsContact O-CB 3.27Å; V302-T306 WeakPolarHBondContact O-CB 3.44Å; V302-T306 PolarHBondContact O-N 3.37Å; V302-T306 PolarHBondContact O-OG1 3.34Å
303	L	69.7	Low	68.3	Low	68 Å²	68	92.5 Å²	92.5	36%	0.356	46%	0.461	S	S	.	.	H	α-helix	trans	-60.5	-47.1	175.9	-176	64.5	0	0	0	111.4	K299 S300 T301 I305 T306 E307	K299-L303 VanDerWaalsContact O-CB 3.32Å; K299-L303 WeakPolarHBondContact O-CB 3.23Å; K299-L303 PolarHBondContact O-N 2.9Å; S300-L303 PolarHBondContact O-N 3.03Å; T301-L303 VanDerWaalsContact C-N 3.33Å; T301-L303 PolarHBondContact O-N 3.28Å; L303-I305 PolarHBondContact O-N 3.01Å; L303-T306 CarbonylContact O-C 3.52Å; L303-T306 WeakPolarHBondContact O-CB 3.27Å; L303-T306 PolarHBondContact O-N 3.31Å; L303-E307 WeakPolarHBondContact O-CB 3.32Å; L303-E307 WeakPolarHBondContact O-CG 3.4Å; L303-E307 PolarHBondContact O-N 2.92Å
304	R	69.4	Low	70	Confident	181 Å²	181	84.2 Å²	84.2	68%	0.683	42%	0.423	S	S	*	.	H	α-helix	trans	-63	-41.4	179.5	-166.4	179.8	76.1	163.7	4.1	112.9	S300 T301 T306 E307 S308	S300-R304 WeakPolarHBondContact O-CB 3.45Å; S300-R304 PolarHBondContact O-N 3.44Å; T301-R304 PolarHBondContact O-N 3.31Å; R304-T306 VanDerWaalsContact C-N 3.35Å; R304-E307 PolarHBondContact O-N 3.47Å; R304-S308 WeakPolarHBondContact O-CB 3.48Å; R304-S308 PolarHBondContact O-N 3.38Å
305	I	75	Confident	72	Confident	89 Å²	89	79.6 Å²	79.6	46%	0.456	40%	0.402	S	S	.	.	H	α-helix	trans	-63.1	-46.3	174.9	-69	168.1	0	0	0	109.6	T301 V302 L303 E307 S308 I309	T301-I305 HydrophobicContact CG2-CD1 3.99Å; T301-I305 WeakPolarHBondContact O-CG1 3.48Å; T301-I305 PolarHBondContact O-N 3.33Å; V302-I305 PolarHBondContact O-N 3.42Å; L303-I305 PolarHBondContact O-N 3.01Å; I305-E307 VanDerWaalsContact C-N 3.34Å; I305-E307 PolarHBondContact O-N 3.24Å; I305-S308 PolarHBondContact O-N 2.94Å; I305-I309 HydrophobicContact CG2-CD1 3.83Å; I305-I309 HydrophobicContact CG2-CG1 4.48Å; I305-I309 VanDerWaalsContact O-CG1 3.29Å; I305-I309 WeakPolarHBondContact O-CG1 3.17Å; I305-I309 PolarHBondContact O-N 3.48Å
306	T	75	Confident	74	Confident	43 Å²	43	79.4 Å²	79.4	26%	0.264	40%	0.404	S	S	.	.	H	α-helix	trans	-60.6	-43.8	178.6	-57.9	0	0	0	0	111.2	V302 L303 R304 I309 F310 L628	V302-T306 VanDerWaalsContact O-CB 3.27Å; V302-T306 WeakPolarHBondContact O-CB 3.44Å; V302-T306 PolarHBondContact O-N 3.37Å; V302-T306 PolarHBondContact O-OG1 3.34Å; L303-T306 CarbonylContact O-C 3.52Å; L303-T306 WeakPolarHBondContact O-CB 3.27Å; L303-T306 PolarHBondContact O-N 3.31Å; R304-T306 VanDerWaalsContact C-N 3.35Å; T306-I309 PolarHBondContact O-N 3.27Å; T306-F310 HydrophobicContact CG2-CD2 3.79Å; T306-F310 HydrophobicContact CG2-CE2 3.55Å; T306-F310 WeakPolarHBondContact O-CD2 3.47Å; T306-F310 PolarHBondContact O-N 2.96Å; T306-L628 HydrophobicContact CG2-CD2 3.79Å
307	E	74.6	Confident	75.9	Confident	51 Å²	51	75.3 Å²	75.3	24%	0.238	39%	0.386	C	S	.	.	H	α-helix	trans	-60.7	-46.2	175.8	-76.7	-175	-170	0	0	112.4	R268 L303 R304 I305 I309 F310 D311 R631	R268-E307 IonicContact NH1-OE2 2.62Å; L303-E307 WeakPolarHBondContact O-CB 3.32Å; L303-E307 WeakPolarHBondContact O-CG 3.4Å; L303-E307 PolarHBondContact O-N 2.92Å; R304-E307 PolarHBondContact O-N 3.47Å; I305-E307 VanDerWaalsContact C-N 3.34Å; I305-E307 PolarHBondContact O-N 3.24Å; E307-I309 VanDerWaalsContact C-N 3.32Å; E307-I309 PolarHBondContact O-N 2.92Å; E307-F310 PolarHBondContact O-N 3.16Å; E307-D311 PolarHBondContact O-N 3.18Å; E307-R631 IonicContact OE2-NH2 2.71Å
308	S	75.9	Confident	77.8	Confident	69 Å²	69	71.4 Å²	71.4	48%	0.483	37%	0.368	S	S	.	.	H	α-helix	trans	-60.6	-42	176.7	-174.8	0	0	0	0	111.8	R304 I305 F310 D311 V312	R304-S308 WeakPolarHBondContact O-CB 3.48Å; R304-S308 PolarHBondContact O-N 3.38Å; I305-S308 PolarHBondContact O-N 2.94Å; S308-F310 PolarHBondContact O-N 3.47Å; S308-D311 PolarHBondContact O-N 2.98Å; S308-V312 WeakPolarHBondContact O-CG2 3.41Å; S308-V312 PolarHBondContact O-N 3.01Å
309	I	82.7	Confident	79.6	Confident	102 Å²	102	67.9 Å²	67.9	52%	0.523	36%	0.356	S	S	.	.	H	α-helix	trans	-60.6	-45.8	175.3	-69.2	166.4	0	0	0	110.8	I305 T306 E307 D311 V312 L313	I305-I309 HydrophobicContact CG2-CD1 3.83Å; I305-I309 HydrophobicContact CG2-CG1 4.48Å; I305-I309 VanDerWaalsContact O-CG1 3.29Å; I305-I309 WeakPolarHBondContact O-CG1 3.17Å; I305-I309 PolarHBondContact O-N 3.48Å; T306-I309 PolarHBondContact O-N 3.27Å; E307-I309 VanDerWaalsContact C-N 3.32Å; E307-I309 PolarHBondContact O-N 2.92Å; I309-D311 VanDerWaalsContact C-N 3.33Å; I309-D311 PolarHBondContact O-N 3.04Å; I309-V312 PolarHBondContact O-N 3.18Å; I309-L313 VanDerWaalsContact O-CB 3.23Å; I309-L313 WeakPolarHBondContact O-CB 3.25Å; I309-L313 PolarHBondContact O-N 3.19Å
310	F	83	Confident	81.4	Confident	46 Å²	46	67.6 Å²	67.6	20%	0.202	36%	0.355	C	S	.	.	H	α-helix	trans	-62.9	-38.9	177.1	-84.3	-69	0	0	0	112.4	T306 E307 S308 L313 Q314 L628 R631 V632	T306-F310 HydrophobicContact CG2-CD2 3.79Å; T306-F310 HydrophobicContact CG2-CE2 3.55Å; T306-F310 WeakPolarHBondContact O-CD2 3.47Å; T306-F310 PolarHBondContact O-N 2.96Å; E307-F310 PolarHBondContact O-N 3.16Å; S308-F310 PolarHBondContact O-N 3.47Å; F310-L313 PolarHBondContact O-N 2.86Å; F310-Q314 VanDerWaalsContact O-CB 3.24Å; F310-Q314 WeakPolarHBondContact O-CB 3.27Å; F310-Q314 PolarHBondContact O-N 3.48Å; F310-L628 HydrophobicContact CD2-CD2 4.37Å; F310-L628 HydrophobicContact CE2-CD2 3.71Å; F310-L628 HydrophobicContact CZ-CD2 4.5Å; F310-R631 HydrophobicContact CB-CB 4.35Å; F310-R631 HydrophobicContact CD1-CB 4.19Å; F310-R631 HydrophobicContact CD2-CB 4.39Å; F310-R631 HydrophobicContact CG-CB 4.07Å; F310-V632 HydrophobicContact CE1-CG2 4.2Å; F310-V632 HydrophobicContact CZ-CG2 4.29Å
311	D	80.3	Confident	82.8	Confident	45 Å²	45	64.9 Å²	64.9	24%	0.241	34%	0.336	C	S	.	.	H	α-helix	trans	-65.7	-44	177.7	-76.6	-32.4	0	0	0	111.9	E307 S308 I309 Q314 I315 R631	E307-D311 PolarHBondContact O-N 3.18Å; S308-D311 PolarHBondContact O-N 2.98Å; I309-D311 VanDerWaalsContact C-N 3.33Å; I309-D311 PolarHBondContact O-N 3.04Å; D311-Q314 WeakPolarHBondContact O-CB 3.33Å; D311-Q314 PolarHBondContact O-N 2.83Å; D311-I315 WeakPolarHBondContact O-CG1 3.31Å; D311-I315 PolarHBondContact O-N 3.38Å; D311-I315 VanDerWaalsContact O-N 3.16Å; D311-R631 IonicContact OD1-CZ 3.32Å; D311-R631 IonicContact OD1-NH1 3.69Å; D311-R631 PolarHBondContact OD1-NH1 3.48Å; D311-R631 IonicContact OD1-NH2 3.88Å; D311-R631 IonicContact OD2-NH1 3.95Å; D311-R631 IonicContact OD2-NH2 3.69Å
312	V	84.7	Confident	84.1	Confident	79 Å²	79	62.7 Å²	62.7	48%	0.479	32%	0.323	S	S	.	.	H	α-helix	trans	-63.5	-46.1	174.7	173.6	0	0	0	0	110.8	S308 I309 Q314 I315 I316	S308-V312 WeakPolarHBondContact O-CG2 3.41Å; S308-V312 PolarHBondContact O-N 3.01Å; I309-V312 PolarHBondContact O-N 3.18Å; V312-Q314 VanDerWaalsContact C-N 3.3Å; V312-Q314 PolarHBondContact O-N 2.72Å; V312-I315 PolarHBondContact O-N 3Å; V312-I316 HydrophobicContact CG1-CD1 3.94Å; V312-I316 WeakPolarHBondContact O-CG1 2.99Å; V312-I316 PolarHBondContact O-N 3.26Å
313	L	89.3	Confident	85.2	Confident	73 Å²	73	63 Å²	63	38%	0.382	32%	0.32	S	S	.	.	H	α-helix	trans	-62.9	-38.8	179.4	-172.2	63.8	0	0	0	111.5	I309 F310 I315 I316 V317 L635	I309-L313 VanDerWaalsContact O-CB 3.23Å; I309-L313 WeakPolarHBondContact O-CB 3.25Å; I309-L313 PolarHBondContact O-N 3.19Å; F310-L313 PolarHBondContact O-N 2.86Å; L313-I315 VanDerWaalsContact C-N 3.33Å; L313-I315 PolarHBondContact O-N 3.1Å; L313-I316 PolarHBondContact O-N 3.28Å; L313-V317 HydrophobicContact CG-CG2 4.45Å; L313-V317 WeakPolarHBondContact O-CB 3.43Å; L313-V317 VanDerWaalsContact O-CG2 3.27Å; L313-V317 WeakPolarHBondContact O-CG2 3.48Å; L313-V317 PolarHBondContact O-N 3.23Å; L313-L635 HydrophobicContact CB-CD1 4.22Å; L313-L635 HydrophobicContact CD2-CD1 3.32Å; L313-L635 HydrophobicContact CG-CD1 3.51Å
314	Q	88	Confident	86.5	Confident	3 Å²	3	60.4 Å²	60.4	1%	0.014	31%	0.308	C	S	.	.	H	α-helix	trans	-60.1	-42.1	175.1	-178.5	68.3	-3.3	0	0	111.8	W269 F310 D311 V312 S318 S634 S638	W269-Q314 HydrophobicContact CB-CG 4.3Å; W269-Q314 VanDerWaalsContact CB-NE2 3.33Å; F310-Q314 VanDerWaalsContact O-CB 3.24Å; F310-Q314 WeakPolarHBondContact O-CB 3.27Å; F310-Q314 PolarHBondContact O-N 3.48Å; D311-Q314 WeakPolarHBondContact O-CB 3.33Å; D311-Q314 PolarHBondContact O-N 2.83Å; V312-Q314 VanDerWaalsContact C-N 3.3Å; V312-Q314 PolarHBondContact O-N 2.72Å; Q314-S318 VanDerWaalsContact O-CB 3.25Å; Q314-S318 WeakPolarHBondContact O-CB 3.25Å; Q314-S318 PolarHBondContact O-N 2.81Å; Q314-S318 PolarHBondContact O-OG 3.04Å; Q314-S634 PolarHBondContact NE2-O 2.04Å; Q314-S634 PolarHBondContact OE1-O 3.01Å; Q314-S634 VanDerWaalsContact OE1-O 3.13Å; Q314-S638 PolarHBondContact NE2-OG 3.41Å; Q314-S638 PolarHBondContact OE1-OG 3.14Å
315	I	88.2	Confident	87.8	Confident	65 Å²	65	51.8 Å²	51.8	33%	0.333	28%	0.275	S	S	.	.	H	α-helix	trans	-63.5	-48.5	176.1	-67.3	166.3	0	0	0	110.1	D311 V312 L313 V317 S318 I319 L362	D311-I315 WeakPolarHBondContact O-CG1 3.31Å; D311-I315 PolarHBondContact O-N 3.38Å; D311-I315 VanDerWaalsContact O-N 3.16Å; V312-I315 PolarHBondContact O-N 3Å; L313-I315 VanDerWaalsContact C-N 3.33Å; L313-I315 PolarHBondContact O-N 3.1Å; I315-V317 PolarHBondContact O-N 3.2Å; I315-S318 PolarHBondContact O-N 3.14Å; I315-I319 HydrophobicContact CG2-CD1 3.79Å; I315-I319 HydrophobicContact CG2-CG1 4.42Å; I315-I319 WeakPolarHBondContact O-CG1 3.14Å; I315-I319 PolarHBondContact O-N 2.95Å; I315-L362 HydrophobicContact CG2-CD2 4.39Å
316	I	91.2	Very high	88.7	Confident	98 Å²	98	50 Å²	50	50%	0.503	27%	0.27	S	S	.	.	H	α-helix	trans	-57.8	-48.9	178.9	-66.6	168.3	0	0	0	110.7	V312 L313 S318 I319 F320	V312-I316 HydrophobicContact CG1-CD1 3.94Å; V312-I316 WeakPolarHBondContact O-CG1 2.99Å; V312-I316 PolarHBondContact O-N 3.26Å; L313-I316 PolarHBondContact O-N 3.28Å; I316-S318 VanDerWaalsContact C-N 3.33Å; I316-S318 PolarHBondContact O-N 3.14Å; I316-I319 PolarHBondContact O-N 3.01Å; I316-F320 WeakPolarHBondContact O-CB 3.35Å; I316-F320 PolarHBondContact O-N 3.32Å
317	V	93.5	Very high	89.6	Confident	26 Å²	26	51 Å²	51	16%	0.158	28%	0.277	C	S	.	.	H	α-helix	trans	-62.4	-41	178.5	172.1	0	0	0	0	111	L313 I315 F320 S321 L635 S638 A639	L313-V317 HydrophobicContact CG-CG2 4.45Å; L313-V317 WeakPolarHBondContact O-CB 3.43Å; L313-V317 VanDerWaalsContact O-CG2 3.27Å; L313-V317 WeakPolarHBondContact O-CG2 3.48Å; L313-V317 PolarHBondContact O-N 3.23Å; I315-V317 PolarHBondContact O-N 3.2Å; V317-F320 PolarHBondContact O-N 3.38Å; V317-S321 WeakPolarHBondContact O-CB 3.41Å; V317-S321 PolarHBondContact O-N 3.36Å; V317-L635 HydrophobicContact CG2-CD1 4.38Å; V317-L635 HydrophobicContact CG2-CG 4.39Å; V317-S638 WeakPolarHBondContact CG1-OG 3.22Å; V317-A639 HydrophobicContact CG1-CB 3.82Å
318	S	91.8	Very high	90.4	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-65	-42.6	178.5	-61.2	0	0	0	0	112.2	Q314 I315 I316 S321 A322	Q314-S318 VanDerWaalsContact O-CB 3.25Å; Q314-S318 WeakPolarHBondContact O-CB 3.25Å; Q314-S318 PolarHBondContact O-N 2.81Å; Q314-S318 PolarHBondContact O-OG 3.04Å; I315-S318 PolarHBondContact O-N 3.14Å; I316-S318 VanDerWaalsContact C-N 3.33Å; I316-S318 PolarHBondContact O-N 3.14Å; S318-S321 WeakPolarHBondContact O-CB 3.26Å; S318-S321 PolarHBondContact O-N 3.35Å; S318-A322 WeakPolarHBondContact O-CB 3.43Å; S318-A322 PolarHBondContact O-N 2.86Å
319	I	93.9	Very high	91.3	Very high	78 Å²	78	46.5 Å²	46.5	40%	0.4	25%	0.248	S	C	.	.	H	α-helix	trans	-61.8	-49.1	174.8	-68.7	168.2	0	0	0	110	I315 I316 S321 A322 I323 L362	I315-I319 HydrophobicContact CG2-CD1 3.79Å; I315-I319 HydrophobicContact CG2-CG1 4.42Å; I315-I319 WeakPolarHBondContact O-CG1 3.14Å; I315-I319 PolarHBondContact O-N 2.95Å; I316-I319 PolarHBondContact O-N 3.01Å; I319-S321 VanDerWaalsContact C-N 3.31Å; I319-S321 PolarHBondContact O-N 3.22Å; I319-A322 PolarHBondContact O-N 3.38Å; I319-I323 HydrophobicContact CG2-CD1 3.93Å; I319-I323 WeakPolarHBondContact O-CG1 3.32Å; I319-I323 PolarHBondContact O-N 3.12Å; I319-L362 HydrophobicContact CG1-CD1 4.06Å; I319-L362 HydrophobicContact CG1-CD2 3.85Å
320	F	95.8	Very high	91.7	Very high	100 Å²	100	46.4 Å²	46.4	44%	0.439	25%	0.248	S	C	.	.	H	α-helix	trans	-60.2	-42.4	178.2	177.5	-109.6	0	0	0	112.2	I316 V317 I323 C324 A642 F646	I316-F320 WeakPolarHBondContact O-CB 3.35Å; I316-F320 PolarHBondContact O-N 3.32Å; V317-F320 PolarHBondContact O-N 3.38Å; F320-I323 PolarHBondContact O-N 2.97Å; F320-C324 VanDerWaalsContact CZ-SG 3.57Å; F320-C324 WeakPolarHBondContact O-CB 3.46Å; F320-C324 PolarHBondContact O-N 3.36Å; F320-C324 PolarHBondContact O-SG 3.1Å; F320-A642 HydrophobicContact CD1-CB 3.92Å; F320-A642 HydrophobicContact CE1-CB 3.76Å; F320-F646 HydrophobicContact CE1-CE2 4.03Å; F320-F646 HydrophobicContact CE1-CZ 4.36Å; F320-F646 HydrophobicContact CZ-CE2 4.07Å; F320-F646 AromaticContact CZ-CZ 3.92Å; F320-F646 HydrophobicContact CZ-CZ 3.92Å
321	S	95.9	Very high	92	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-61.3	-44.1	175.4	-167	0	0	0	0	111.6	V317 S318 I319 C324 L325 S638 G641 A642	V317-S321 WeakPolarHBondContact O-CB 3.41Å; V317-S321 PolarHBondContact O-N 3.36Å; S318-S321 WeakPolarHBondContact O-CB 3.26Å; S318-S321 PolarHBondContact O-N 3.35Å; I319-S321 VanDerWaalsContact C-N 3.31Å; I319-S321 PolarHBondContact O-N 3.22Å; S321-C324 PolarHBondContact O-N 3.3Å; S321-L325 WeakPolarHBondContact O-CG 3.22Å; S321-L325 PolarHBondContact O-N 3.4Å; S321-S638 VanDerWaalsContact CB-O 3.23Å; S321-S638 WeakPolarHBondContact CB-O 3.43Å; S321-S638 PolarHBondContact OG-O 3.42Å; S321-G641 WeakPolarHBondContact OG-CA 3.31Å; S321-G641 PolarHBondContact OG-N 3.07Å; S321-A642 PolarHBondContact OG-N 3.47Å; S321-A642 VanDerWaalsContact OG-N 3.16Å
322	A	95.8	Very high	92.4	Very high	9 Å²	9	45 Å²	45	7%	0.074	24%	0.242	C	C	.	.	H	α-helix	trans	-62.6	-45.8	175.9	0	0	0	0	0	112.1	S318 I319 C324 L325 C326 L355 L358 L362	S318-A322 WeakPolarHBondContact O-CB 3.43Å; S318-A322 PolarHBondContact O-N 2.86Å; I319-A322 PolarHBondContact O-N 3.38Å; A322-C324 PolarHBondContact O-N 3.05Å; A322-L325 PolarHBondContact O-N 3.3Å; A322-C326 PolarHBondContact O-N 2.91Å; A322-C326 PolarHBondContact O-SG 2.97Å; A322-C326 VanDerWaalsContact O-SG 3.35Å; A322-L355 HydrophobicContact CB-CD1 3.94Å; A322-L358 HydrophobicContact CB-CD1 4.44Å; A322-L362 HydrophobicContact CB-CD1 4.46Å
323	I	96.1	Very high	92.5	Very high	98 Å²	98	42 Å²	42	50%	0.503	23%	0.227	S	C	.	.	H	α-helix	trans	-58.7	-48.5	175.3	-66.7	166.4	0	0	0	110.3	I319 F320 L325 C326 T327	I319-I323 HydrophobicContact CG2-CD1 3.93Å; I319-I323 WeakPolarHBondContact O-CG1 3.32Å; I319-I323 PolarHBondContact O-N 3.12Å; F320-I323 PolarHBondContact O-N 2.97Å; I323-L325 VanDerWaalsContact C-N 3.31Å; I323-L325 PolarHBondContact O-N 3.18Å; I323-C326 WeakPolarHBondContact O-CB 3.28Å; I323-C326 PolarHBondContact O-N 3.09Å; I323-T327 PolarHBondContact O-N 2.78Å; I323-T327 PolarHBondContact O-OG1 2.63Å; I323-T327 VanDerWaalsContact O-OG1 3.09Å
324	C	96.3	Very high	92.4	Very high	13 Å²	13	46.8 Å²	46.8	9%	0.088	25%	0.245	C	C	.	.	H	α-helix	trans	-59.2	-40.4	178.5	-74.3	0	0	0	0	112.6	F320 S321 A322 T327 L328 A642 T645	F320-C324 VanDerWaalsContact CZ-SG 3.57Å; F320-C324 WeakPolarHBondContact O-CB 3.46Å; F320-C324 PolarHBondContact O-N 3.36Å; F320-C324 PolarHBondContact O-SG 3.1Å; S321-C324 PolarHBondContact O-N 3.3Å; A322-C324 PolarHBondContact O-N 3.05Å; C324-T327 PolarHBondContact O-N 3.16Å; C324-L328 WeakPolarHBondContact O-CB 3.42Å; C324-L328 PolarHBondContact O-N 3.08Å; C324-A642 HydrophobicContact CB-CB 4.3Å; C324-T645 VanDerWaalsContact C-OG1 3.28Å; C324-T645 HydrophobicContact CB-CG2 4.27Å; C324-T645 WeakPolarHBondContact O-CG2 2.8Å; C324-T645 PolarHBondContact O-OG1 2.83Å
325	L	96	Very high	92.3	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-69.4	-41	177.1	-73.3	173.3	0	0	0	111.8	S321 A322 I323 T327 L328 L329 A351 I354 L355 L358 L644	S321-L325 WeakPolarHBondContact O-CG 3.22Å; S321-L325 PolarHBondContact O-N 3.4Å; A322-L325 PolarHBondContact O-N 3.3Å; I323-L325 VanDerWaalsContact C-N 3.31Å; I323-L325 PolarHBondContact O-N 3.18Å; L325-T327 VanDerWaalsContact C-N 3.33Å; L325-T327 PolarHBondContact O-N 3.23Å; L325-L328 HydrophobicContact CD2-CD2 4.38Å; L325-L328 WeakPolarHBondContact O-CB 3.48Å; L325-L328 PolarHBondContact O-N 3.01Å; L325-L329 VanDerWaalsContact O-CG 3.31Å; L325-L329 WeakPolarHBondContact O-CG 3.34Å; L325-L329 PolarHBondContact O-N 3.19Å; L325-A351 HydrophobicContact CD2-CB 3.76Å; L325-I354 HydrophobicContact CD1-CB 4.08Å; L325-I354 HydrophobicContact CD1-CG2 3.69Å; L325-L355 HydrophobicContact CB-CB 4.29Å; L325-L355 HydrophobicContact CB-CD1 4.33Å; L325-L355 HydrophobicContact CD1-CB 4.14Å; L325-L358 HydrophobicContact CD1-CD1 3.89Å; L325-L644 HydrophobicContact CD2-CD2 4.13Å
326	C	95.6	Very high	91.9	Very high	51 Å²	51	53.2 Å²	53.2	35%	0.345	28%	0.275	S	S	.	.	H	α-helix	trans	-56.2	-48.7	172.4	-75.1	0	0	0	0	111	A322 I323 L328 L329 I330	A322-C326 PolarHBondContact O-N 2.91Å; A322-C326 PolarHBondContact O-SG 2.97Å; A322-C326 VanDerWaalsContact O-SG 3.35Å; I323-C326 WeakPolarHBondContact O-CB 3.28Å; I323-C326 PolarHBondContact O-N 3.09Å; C326-L328 VanDerWaalsContact C-N 3.34Å; C326-L328 PolarHBondContact O-N 2.93Å; C326-L329 PolarHBondContact O-N 2.97Å; C326-I330 VanDerWaalsContact O-CG1 3.26Å; C326-I330 WeakPolarHBondContact O-CG1 3.46Å; C326-I330 PolarHBondContact O-N 2.85Å
327	T	93.1	Very high	91.4	Very high	66 Å²	66	51.9 Å²	51.9	41%	0.405	28%	0.275	S	S	.	.	H	α-helix	trans	-59.4	-43.8	176	-53.2	0	0	0	0	111.8	I323 C324 L325 L329 I330 I331	I323-T327 PolarHBondContact O-N 2.78Å; I323-T327 PolarHBondContact O-OG1 2.63Å; I323-T327 VanDerWaalsContact O-OG1 3.09Å; C324-T327 PolarHBondContact O-N 3.16Å; L325-T327 VanDerWaalsContact C-N 3.33Å; L325-T327 PolarHBondContact O-N 3.23Å; T327-L329 PolarHBondContact O-N 3.13Å; T327-I330 PolarHBondContact O-N 3.28Å; T327-I331 HydrophobicContact CG2-CD1 3.81Å; T327-I331 HydrophobicContact CG2-CG1 4.4Å; T327-I331 VanDerWaalsContact O-CG1 3.3Å; T327-I331 WeakPolarHBondContact O-CG1 3.44Å; T327-I331 PolarHBondContact O-N 2.87Å
328	L	92.1	Very high	90.6	Very high	1 Å²	1	51.2 Å²	51.2	1%	0.005	27%	0.27	C	S	.	.	H	α-helix	trans	-58.9	-47.7	177.3	-178.2	68.6	0	0	0	111.9	C324 L325 C326 I330 I331 H332 I347 A351 L644 T645 T648	C324-L328 WeakPolarHBondContact O-CB 3.42Å; C324-L328 PolarHBondContact O-N 3.08Å; L325-L328 HydrophobicContact CD2-CD2 4.38Å; L325-L328 WeakPolarHBondContact O-CB 3.48Å; L325-L328 PolarHBondContact O-N 3.01Å; C326-L328 VanDerWaalsContact C-N 3.34Å; C326-L328 PolarHBondContact O-N 2.93Å; L328-I330 VanDerWaalsContact C-N 3.34Å; L328-I330 PolarHBondContact O-N 3.13Å; L328-I331 PolarHBondContact O-N 3.01Å; L328-H332 WeakPolarHBondContact O-CB 3.3Å; L328-H332 PolarHBondContact O-CD2 3.49Å; L328-H332 PolarHBondContact O-N 3.22Å; L328-I347 HydrophobicContact CD2-CG2 4.22Å; L328-A351 HydrophobicContact CD2-CB 4.02Å; L328-L644 HydrophobicContact CD2-CD2 4.39Å; L328-L644 HydrophobicContact CD2-CG 4.21Å; L328-T645 HydrophobicContact CB-CG2 4.14Å; L328-T645 WeakPolarHBondContact CB-OG1 3.31Å; L328-T645 HydrophobicContact CD1-CG2 4.49Å; L328-T648 WeakPolarHBondContact CD1-OG1 3.44Å
329	L	93.8	Very high	89.8	Confident	23 Å²	23	53 Å²	53	12%	0.12	28%	0.277	C	S	.	.	H	α-helix	trans	-64.7	-37.8	179.1	-66.5	171.5	0	0	0	111.6	W5 L325 C326 T327 G333 M348 A351 L355	W5-L329 HydrophobicContact CH2-CB 4.37Å; W5-L329 HydrophobicContact CH2-CD2 3.73Å; W5-L329 HydrophobicContact CZ2-CD2 3.94Å; L325-L329 VanDerWaalsContact O-CG 3.31Å; L325-L329 WeakPolarHBondContact O-CG 3.34Å; L325-L329 PolarHBondContact O-N 3.19Å; C326-L329 PolarHBondContact O-N 2.97Å; T327-L329 PolarHBondContact O-N 3.13Å; L329-G333 WeakPolarHBondContact O-CA 3.42Å; L329-G333 PolarHBondContact O-N 2.85Å; L329-M348 HydrophobicContact CD2-CB 4.19Å; L329-M348 HydrophobicContact CD2-CG 4.35Å; L329-M348 WeakPolarHBondContact CD2-O 3.14Å; L329-A351 HydrophobicContact CD2-CB 3.86Å; L329-A351 HydrophobicContact CG-CB 4.33Å; L329-L355 HydrophobicContact CD1-CD2 3.63Å
330	I	91.8	Very high	88.9	Confident	100 Å²	100	55.2 Å²	55.2	51%	0.513	29%	0.286	S	S	.	.	H	α-helix	trans	-64.4	-49.1	175.4	-68.5	165	0	0	0	110.7	C326 T327 L328 G333 K334	C326-I330 VanDerWaalsContact O-CG1 3.26Å; C326-I330 WeakPolarHBondContact O-CG1 3.46Å; C326-I330 PolarHBondContact O-N 2.85Å; T327-I330 PolarHBondContact O-N 3.28Å; L328-I330 VanDerWaalsContact C-N 3.34Å; L328-I330 PolarHBondContact O-N 3.13Å; I330-G333 PolarHBondContact O-N 2.8Å; I330-K334 HydrophobicContact CG2-CD 4.23Å; I330-K334 WeakPolarHBondContact O-CB 3.45Å; I330-K334 WeakPolarHBondContact O-CG 3.5Å; I330-K334 PolarHBondContact O-N 2.9Å
331	I	89.7	Confident	88.1	Confident	61 Å²	61	55.2 Å²	55.2	31%	0.313	29%	0.286	S	S	.	.	H	α-helix	trans	-59.9	-53.6	179.4	-68.7	168.7	0	0	0	109.9	T327 L328 G333 K334 T335 L338	T327-I331 HydrophobicContact CG2-CD1 3.81Å; T327-I331 HydrophobicContact CG2-CG1 4.4Å; T327-I331 VanDerWaalsContact O-CG1 3.3Å; T327-I331 WeakPolarHBondContact O-CG1 3.44Å; T327-I331 PolarHBondContact O-N 2.87Å; L328-I331 PolarHBondContact O-N 3.01Å; I331-G333 VanDerWaalsContact C-N 3.34Å; I331-G333 PolarHBondContact O-N 3.45Å; I331-K334 PolarHBondContact O-N 3.49Å; I331-T335 WeakPolarHBondContact O-CB 3.17Å; I331-T335 PolarHBondContact O-N 3.42Å; I331-T335 PolarHBondContact O-OG1 2.9Å; I331-L338 HydrophobicContact CG2-CD1 4.14Å
332	H	86.8	Confident	87.3	Confident	1 Å²	1	56.5 Å²	56.5	1%	0.005	29%	0.292	C	S	.	.	H	α-helix	trans	-67.8	-33	-177.8	-81.9	-111.3	0	0	0	113.1	L328 M348	L328-H332 WeakPolarHBondContact O-CB 3.3Å; L328-H332 PolarHBondContact O-CD2 3.49Å; L328-H332 PolarHBondContact O-N 3.22Å; H332-M348 HydrophobicContact CB-CG 3.77Å; H332-M348 HydrophobicContact CB-SD 3.76Å
333	G	87.1	Confident	86.6	Confident	17 Å²	17	58.8 Å²	58.8	18%	0.175	31%	0.308	C	S	.	.	H	α-helix	trans	-72.5	-35.9	178	0	0	0	0	0	113.7	K2 L329 I330 I331	K2-G333 WeakPolarHBondContact CE-O 3.27Å; L329-G333 WeakPolarHBondContact O-CA 3.42Å; L329-G333 PolarHBondContact O-N 2.85Å; I330-G333 PolarHBondContact O-N 2.8Å; I331-G333 VanDerWaalsContact C-N 3.34Å; I331-G333 PolarHBondContact O-N 3.45Å
334	K	88	Confident	86.1	Confident	172 Å²	172	55.2 Å²	55.2	75%	0.748	29%	0.29	S	S	*	.	H	α-helix	trans	-82.2	-38.8	178.6	-72.5	-169.2	174.3	-175.9	0	112.4	I330 I331 K336	I330-K334 HydrophobicContact CG2-CD 4.23Å; I330-K334 WeakPolarHBondContact O-CB 3.45Å; I330-K334 WeakPolarHBondContact O-CG 3.5Å; I330-K334 PolarHBondContact O-N 2.9Å; I331-K334 PolarHBondContact O-N 3.49Å; K334-K336 PolarHBondContact O-N 3.44Å
335	T	86.2	Confident	85.6	Confident	54 Å²	54	55.6 Å²	55.6	33%	0.331	29%	0.29	S	S	.	.			trans	-79	103.6	-176.8	-52.6	0	0	0	0	111.9	I331 S337 L338 Y339	I331-T335 WeakPolarHBondContact O-CB 3.17Å; I331-T335 PolarHBondContact O-N 3.42Å; I331-T335 PolarHBondContact O-OG1 2.9Å; T335-S337 VanDerWaalsContact C-N 3.28Å; T335-S337 WeakPolarHBondContact CG2-OG 3.31Å; T335-S337 PolarHBondContact O-N 3.29Å; T335-L338 HydrophobicContact CG2-CB 4.27Å; T335-L338 HydrophobicContact CG2-CD1 3.84Å; T335-L338 HydrophobicContact CG2-CG 3.69Å; T335-L338 PolarHBondContact O-N 3.3Å; T335-Y339 PolarHBondContact O-N 3.37Å
336	K	79.9	Confident	85.2	Confident	149 Å²	149	55.8 Å²	55.8	65%	0.648	29%	0.291	S	S	*	.	H	α-helix	trans	-53	-41.8	-178.6	-172.1	179.8	179.6	-177.1	0	113.1	K334 L338 Y339 Q340	K334-K336 PolarHBondContact O-N 3.44Å; K336-L338 VanDerWaalsContact C-N 3.26Å; K336-L338 PolarHBondContact O-N 2.7Å; K336-Y339 PolarHBondContact O-N 2.99Å; K336-Q340 WeakPolarHBondContact O-CG 3.47Å; K336-Q340 PolarHBondContact O-N 3.44Å
337	S	79.2	Confident	85	Confident	71 Å²	71	53.7 Å²	53.7	50%	0.497	28%	0.276	S	S	.	.	H	α-helix	trans	-66.1	-26.1	-179.4	65.7	0	0	0	0	113.5	T335	T335-S337 VanDerWaalsContact C-N 3.28Å; T335-S337 WeakPolarHBondContact CG2-OG 3.31Å; T335-S337 PolarHBondContact O-N 3.29Å
338	L	77.5	Confident	84.9	Confident	12 Å²	12	50.9 Å²	50.9	6%	0.063	26%	0.259	C	S	.	.	H	α-helix	trans	-85.2	-44.7	176.2	-61.2	176.6	0	0	0	111.3	I331 T335 K336 Q340 K341 N344 L652	I331-L338 HydrophobicContact CG2-CD1 4.14Å; T335-L338 HydrophobicContact CG2-CB 4.27Å; T335-L338 HydrophobicContact CG2-CD1 3.84Å; T335-L338 HydrophobicContact CG2-CG 3.69Å; T335-L338 PolarHBondContact O-N 3.3Å; K336-L338 VanDerWaalsContact C-N 3.26Å; K336-L338 PolarHBondContact O-N 2.7Å; L338-Q340 PolarHBondContact O-N 3.4Å; L338-K341 PolarHBondContact O-N 3.47Å; L338-K341 VanDerWaalsContact O-N 3.13Å; L338-N344 WeakPolarHBondContact CA-ND2 3.33Å; L338-N344 WeakPolarHBondContact O-CB 3.31Å; L338-N344 PolarHBondContact O-ND2 3.13Å; L338-L652 HydrophobicContact CD1-CD1 4.02Å; L338-L652 HydrophobicContact CD1-CD2 3.6Å; L338-L652 HydrophobicContact CD1-CG 4.39Å; L338-L652 HydrophobicContact CD2-CD1 4.5Å; L338-L652 HydrophobicContact CD2-CD2 3.59Å; L338-L652 HydrophobicContact CD2-CG 4.26Å; L338-L652 HydrophobicContact CG-CD2 4.13Å
339	Y	75.7	Confident	84.9	Confident	37 Å²	37	51.3 Å²	51.3	15%	0.145	26%	0.263	C	S	.	.	H	α-helix	trans	-57.8	-31.4	178.8	177.1	-102.6	0	0	0	113.4	M1 K2 T335 K336 K341 Q345 M348	M1-Y339 WeakPolarHBondContact CB-OH 3.41Å; K2-Y339 PolarHBondContact N-OH 2.87Å; T335-Y339 PolarHBondContact O-N 3.37Å; K336-Y339 PolarHBondContact O-N 2.99Å; Y339-K341 VanDerWaalsContact C-N 3.3Å; Y339-K341 PolarHBondContact O-N 2.84Å; Y339-Q345 WeakPolarHBondContact O-CG 3.28Å; Y339-Q345 PolarHBondContact O-NE2 2.98Å; Y339-M348 HydrophobicContact CD2-CE 3.87Å; Y339-M348 HydrophobicContact CD2-SD 4.1Å; Y339-M348 HydrophobicContact CE2-CE 3.94Å
340	Q	74.7	Confident	84.9	Confident	125 Å²	125	50.4 Å²	50.4	58%	0.584	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.1	-20	-179.7	-76.8	176.2	-24.4	0	0	114	K336 L338	K336-Q340 WeakPolarHBondContact O-CG 3.47Å; K336-Q340 PolarHBondContact O-N 3.44Å; L338-Q340 PolarHBondContact O-N 3.4Å
341	K	79.5	Confident	85.1	Confident	100 Å²	100	45.6 Å²	45.6	44%	0.435	23%	0.234	S	C	.	.	S	Bend	trans	-82.8	125.8	-177.9	-64.9	179.3	-175.2	175.4	0	110	L338 Y339 S343 N344 Q345	L338-K341 PolarHBondContact O-N 3.47Å; L338-K341 VanDerWaalsContact O-N 3.13Å; Y339-K341 VanDerWaalsContact C-N 3.3Å; Y339-K341 PolarHBondContact O-N 2.84Å; K341-S343 VanDerWaalsContact C-N 3.33Å; K341-S343 PolarHBondContact O-N 3.41Å; K341-N344 HydrophobicContact CB-CB 4.22Å; K341-N344 WeakPolarHBondContact O-CB 3.38Å; K341-N344 PolarHBondContact O-N 2.81Å; K341-Q345 PolarHBondContact O-N 3.18Å; K341-Q345 VanDerWaalsContact O-N 3.12Å
342	L	78.6	Confident	85.3	Confident	27 Å²	27	44.1 Å²	44.1	14%	0.141	23%	0.229	C	C	.	.	H	α-helix	trans	-51.3	-49.9	178.4	173.7	51.1	0	0	0	112.5	N344 Q345 L346 I463	L342-N344 PolarHBondContact O-N 3.49Å; L342-N344 VanDerWaalsContact O-N 3.12Å; L342-Q345 WeakPolarHBondContact O-CB 3.44Å; L342-Q345 PolarHBondContact O-N 3.3Å; L342-L346 HydrophobicContact CD1-CD1 4.29Å; L342-L346 HydrophobicContact CD1-CD2 4.07Å; L342-L346 HydrophobicContact CD1-CG 3.97Å; L342-L346 HydrophobicContact CG-CD1 4.37Å; L342-L346 HydrophobicContact CG-CG 4.49Å; L342-L346 WeakPolarHBondContact O-CG 3.45Å; L342-L346 PolarHBondContact O-N 2.87Å; L342-I463 HydrophobicContact CB-CD1 4.2Å; L342-I463 HydrophobicContact CD1-CB 4.26Å; L342-I463 HydrophobicContact CD1-CD1 3.86Å; L342-I463 HydrophobicContact CD1-CG1 3.5Å; L342-I463 HydrophobicContact CD1-CG2 4.1Å; L342-I463 HydrophobicContact CD2-CG1 4.14Å; L342-I463 HydrophobicContact CG-CD1 4.4Å; L342-I463 HydrophobicContact CG-CG1 4.27Å
343	S	82.1	Confident	85.7	Confident	57 Å²	57	44.3 Å²	44.3	40%	0.399	23%	0.23	S	C	.	.	H	α-helix	trans	-52.6	-38.7	177.9	-177.5	0	0	0	0	112.7	K341 I347	K341-S343 VanDerWaalsContact C-N 3.33Å; K341-S343 PolarHBondContact O-N 3.41Å; S343-I347 WeakPolarHBondContact O-CD1 3.5Å; S343-I347 VanDerWaalsContact O-CG1 3.23Å; S343-I347 WeakPolarHBondContact O-CG1 3.5Å; S343-I347 PolarHBondContact O-N 3.35Å; S343-I347 VanDerWaalsContact O-N 3.12Å
344	N	84.7	Confident	86	Confident	23 Å²	23	44 Å²	44	12%	0.123	22%	0.224	C	C	.	.	H	α-helix	trans	-75.1	-31.8	-179.8	-71.1	-10.9	0	0	0	112.2	L338 K341 L342 I347 M348	L338-N344 WeakPolarHBondContact CA-ND2 3.33Å; L338-N344 WeakPolarHBondContact O-CB 3.31Å; L338-N344 PolarHBondContact O-ND2 3.13Å; K341-N344 HydrophobicContact CB-CB 4.22Å; K341-N344 WeakPolarHBondContact O-CB 3.38Å; K341-N344 PolarHBondContact O-N 2.81Å; L342-N344 PolarHBondContact O-N 3.49Å; L342-N344 VanDerWaalsContact O-N 3.12Å; N344-I347 PolarHBondContact O-N 3.21Å; N344-M348 VanDerWaalsContact O-CG 3.27Å; N344-M348 WeakPolarHBondContact O-CG 3.37Å; N344-M348 PolarHBondContact O-N 3.4Å
345	Q	85.7	Confident	86.4	Confident	21 Å²	21	36.7 Å²	36.7	10%	0.098	19%	0.193	C	C	.	.	H	α-helix	trans	-67.3	-41.4	173.9	-65.7	178.8	-14.9	0	0	111.6	Y339 K341 L342 I347 M348 G349 I463	Y339-Q345 WeakPolarHBondContact O-CG 3.28Å; Y339-Q345 PolarHBondContact O-NE2 2.98Å; K341-Q345 PolarHBondContact O-N 3.18Å; K341-Q345 VanDerWaalsContact O-N 3.12Å; L342-Q345 WeakPolarHBondContact O-CB 3.44Å; L342-Q345 PolarHBondContact O-N 3.3Å; Q345-I347 VanDerWaalsContact C-N 3.34Å; Q345-M348 WeakPolarHBondContact O-CB 3.26Å; Q345-M348 PolarHBondContact O-N 3.45Å; Q345-G349 PolarHBondContact O-N 3.31Å; Q345-I463 VanDerWaalsContact OE1-CG2 3.22Å
346	L	88.6	Confident	86.9	Confident	3 Å²	3	35.2 Å²	35.2	2%	0.016	19%	0.185	C	C	.	.	H	α-helix	trans	-62.5	-43.1	174.6	-59.3	177.9	0	0	0	111.1	L342 M348 G349 L350 W396 T399 F400 N403	L342-L346 HydrophobicContact CD1-CD1 4.29Å; L342-L346 HydrophobicContact CD1-CD2 4.07Å; L342-L346 HydrophobicContact CD1-CG 3.97Å; L342-L346 HydrophobicContact CG-CD1 4.37Å; L342-L346 HydrophobicContact CG-CG 4.49Å; L342-L346 WeakPolarHBondContact O-CG 3.45Å; L342-L346 PolarHBondContact O-N 2.87Å; L346-M348 VanDerWaalsContact C-N 3.33Å; L346-M348 PolarHBondContact O-N 3.36Å; L346-G349 PolarHBondContact O-N 3.22Å; L346-L350 PolarHBondContact O-N 3.06Å; L346-W396 HydrophobicContact CD2-CE3 4.16Å; L346-W396 HydrophobicContact CD2-CZ3 3.7Å; L346-T399 HydrophobicContact CD2-CG2 3.77Å; L346-F400 HydrophobicContact CB-CD2 3.91Å; L346-F400 HydrophobicContact CD1-CD2 3.99Å; L346-N403 HydrophobicContact CD1-CB 3.9Å; L346-N403 VanDerWaalsContact CD1-ND2 3.28Å; L346-N403 WeakPolarHBondContact CD1-ND2 3.3Å
347	I	90.1	Very high	87.5	Confident	7 Å²	7	28.3 Å²	28.3	4%	0.036	16%	0.155	C	C	.	.	H	α-helix	trans	-62.4	-41.3	175.7	-69.9	162.4	0	0	0	111	L328 S343 N344 Q345 G349 L350 A351 F400 L644 T648	L328-I347 HydrophobicContact CD2-CG2 4.22Å; S343-I347 WeakPolarHBondContact O-CD1 3.5Å; S343-I347 VanDerWaalsContact O-CG1 3.23Å; S343-I347 WeakPolarHBondContact O-CG1 3.5Å; S343-I347 PolarHBondContact O-N 3.35Å; S343-I347 VanDerWaalsContact O-N 3.12Å; N344-I347 PolarHBondContact O-N 3.21Å; Q345-I347 VanDerWaalsContact C-N 3.34Å; I347-G349 VanDerWaalsContact C-N 3.3Å; I347-G349 PolarHBondContact O-N 2.9Å; I347-L350 PolarHBondContact O-N 3.47Å; I347-A351 WeakPolarHBondContact O-CB 3.43Å; I347-A351 PolarHBondContact O-N 3.21Å; I347-F400 HydrophobicContact CD1-CE2 4.22Å; I347-F400 HydrophobicContact CG1-CE2 3.99Å; I347-L644 HydrophobicContact CG2-CD1 4.2Å; I347-L644 HydrophobicContact CG2-CD2 4.4Å; I347-L644 HydrophobicContact CG2-CG 4.37Å; I347-T648 HydrophobicContact CD1-CG2 3.96Å; I347-T648 HydrophobicContact CG2-CG2 4.14Å
348	M	90.5	Very high	88.1	Confident	8 Å²	8	25 Å²	25	4%	0.039	13%	0.132	C	C	.	.	H	α-helix	trans	-61.1	-39.7	174.5	-76	167	32.5	0	0	112	W5 L329 H332 Y339 N344 Q345 L346 S352	W5-M348 HydrophobicContact CE3-CE 4.09Å; W5-M348 HydrophobicContact CH2-CB 4.47Å; W5-M348 HydrophobicContact CH2-CE 3.78Å; W5-M348 HydrophobicContact CZ2-CE 4.39Å; W5-M348 HydrophobicContact CZ3-CE 3.62Å; L329-M348 HydrophobicContact CD2-CB 4.19Å; L329-M348 HydrophobicContact CD2-CG 4.35Å; L329-M348 WeakPolarHBondContact CD2-O 3.14Å; H332-M348 HydrophobicContact CB-CG 3.77Å; H332-M348 HydrophobicContact CB-SD 3.76Å; Y339-M348 HydrophobicContact CD2-CE 3.87Å; Y339-M348 HydrophobicContact CD2-SD 4.1Å; Y339-M348 HydrophobicContact CE2-CE 3.94Å; N344-M348 VanDerWaalsContact O-CG 3.27Å; N344-M348 WeakPolarHBondContact O-CG 3.37Å; N344-M348 PolarHBondContact O-N 3.4Å; Q345-M348 WeakPolarHBondContact O-CB 3.26Å; Q345-M348 PolarHBondContact O-N 3.45Å; L346-M348 VanDerWaalsContact C-N 3.33Å; L346-M348 PolarHBondContact O-N 3.36Å; M348-S352 VanDerWaalsContact O-CB 3.28Å; M348-S352 WeakPolarHBondContact O-CB 3.41Å; M348-S352 PolarHBondContact O-N 3.47Å
349	G	92.3	Very high	88.9	Confident	10 Å²	10	28.6 Å²	28.6	10%	0.103	15%	0.151	C	C	.	.	H	α-helix	trans	-61.7	-50	174.9	0	0	0	0	0	112.1	Q345 L346 I347 S352 S353	Q345-G349 PolarHBondContact O-N 3.31Å; L346-G349 PolarHBondContact O-N 3.22Å; I347-G349 VanDerWaalsContact C-N 3.3Å; I347-G349 PolarHBondContact O-N 2.9Å; G349-S352 PolarHBondContact O-N 3.04Å; G349-S353 PolarHBondContact O-N 3.4Å; G349-S353 PolarHBondContact O-OG 2.98Å
350	L	94.2	Very high	89.5	Confident	3 Å²	3	27.8 Å²	27.8	2%	0.016	15%	0.149	C	C	.	.	H	α-helix	trans	-57.3	-51.9	174.6	179.7	60.6	0	0	0	111.4	L346 I347 S352 S353 I354 S393 W396 M397 I609 L644	L346-L350 PolarHBondContact O-N 3.06Å; I347-L350 PolarHBondContact O-N 3.47Å; L350-S352 VanDerWaalsContact C-N 3.29Å; L350-S352 PolarHBondContact O-N 2.82Å; L350-S353 PolarHBondContact O-N 3.01Å; L350-S353 VanDerWaalsContact O-N 3.11Å; L350-S353 PolarHBondContact O-OG 2.87Å; L350-I354 HydrophobicContact CD1-CD1 3.81Å; L350-I354 HydrophobicContact CD1-CG1 4.18Å; L350-I354 HydrophobicContact CG-CD1 3.87Å; L350-I354 WeakPolarHBondContact O-CG1 3.46Å; L350-I354 PolarHBondContact O-N 3.44Å; L350-S393 WeakPolarHBondContact CD1-O 3.36Å; L350-W396 HydrophobicContact CB-CB 4.02Å; L350-W396 HydrophobicContact CD1-CB 4.08Å; L350-M397 HydrophobicContact CD1-CG 3.6Å; L350-M397 HydrophobicContact CD1-SD 4.41Å; L350-M397 HydrophobicContact CD2-CG 4.06Å; L350-M397 HydrophobicContact CG-CG 4.49Å; L350-I609 HydrophobicContact CD2-CG2 4.17Å; L350-L644 HydrophobicContact CD2-CD2 4.19Å; L350-L644 HydrophobicContact CG-CD2 4.32Å
351	A	95.2	Very high	90.1	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-59	-39.5	179.3	0	0	0	0	0	112.2	L325 L328 L329 I347 L355 L644	L325-A351 HydrophobicContact CD2-CB 3.76Å; L328-A351 HydrophobicContact CD2-CB 4.02Å; L329-A351 HydrophobicContact CD2-CB 3.86Å; L329-A351 HydrophobicContact CG-CB 4.33Å; I347-A351 WeakPolarHBondContact O-CB 3.43Å; I347-A351 PolarHBondContact O-N 3.21Å; A351-L355 WeakPolarHBondContact O-CB 3.36Å; A351-L355 PolarHBondContact O-N 3.34Å; A351-L644 HydrophobicContact CB-CD2 4.06Å
352	S	94.7	Very high	90.4	Very high	30 Å²	30	20.6 Å²	20.6	21%	0.21	12%	0.117	C	C	.	.	H	α-helix	trans	-63.8	-44.3	174.8	-171.1	0	0	0	0	111.7	M348 G349 L350 L355 S356	M348-S352 VanDerWaalsContact O-CB 3.28Å; M348-S352 WeakPolarHBondContact O-CB 3.41Å; M348-S352 PolarHBondContact O-N 3.47Å; G349-S352 PolarHBondContact O-N 3.04Å; L350-S352 VanDerWaalsContact C-N 3.29Å; L350-S352 PolarHBondContact O-N 2.82Å; S352-L355 PolarHBondContact O-N 3.46Å; S352-S356 WeakPolarHBondContact O-CB 3.49Å; S352-S356 PolarHBondContact O-N 3.44Å; S352-S356 PolarHBondContact O-OG 2.97Å; S352-S356 VanDerWaalsContact O-OG 3.11Å
353	S	95.3	Very high	90.7	Very high	4 Å²	4	22 Å²	22	3%	0.028	13%	0.127	C	C	.	.	H	α-helix	trans	-65.8	-42.6	179.3	62.7	0	0	0	0	112.7	G349 L350 S356 L357 S393	G349-S353 PolarHBondContact O-N 3.4Å; G349-S353 PolarHBondContact O-OG 2.98Å; L350-S353 PolarHBondContact O-N 3.01Å; L350-S353 VanDerWaalsContact O-N 3.11Å; L350-S353 PolarHBondContact O-OG 2.87Å; S353-S356 PolarHBondContact O-N 3.29Å; S353-L357 PolarHBondContact O-N 3.45Å; S353-S393 VanDerWaalsContact OG-CA 3.3Å; S353-S393 WeakPolarHBondContact OG-CA 3.49Å; S353-S393 WeakPolarHBondContact OG-CB 3.26Å
354	I	94.5	Very high	90.6	Very high	10 Å²	10	19.6 Å²	19.6	5%	0.051	11%	0.11	C	C	.	.	H	α-helix	trans	-66.9	-42	176.6	-63	173.2	0	0	0	110.3	L325 L350 L357 L358	L325-I354 HydrophobicContact CD1-CB 4.08Å; L325-I354 HydrophobicContact CD1-CG2 3.69Å; L350-I354 HydrophobicContact CD1-CD1 3.81Å; L350-I354 HydrophobicContact CD1-CG1 4.18Å; L350-I354 HydrophobicContact CG-CD1 3.87Å; L350-I354 WeakPolarHBondContact O-CG1 3.46Å; L350-I354 PolarHBondContact O-N 3.44Å; I354-L357 PolarHBondContact O-N 2.96Å; I354-L358 HydrophobicContact CG2-CD1 4.05Å; I354-L358 HydrophobicContact CG2-CG 4.33Å; I354-L358 WeakPolarHBondContact O-CG 3.3Å; I354-L358 PolarHBondContact O-N 3.42Å
355	L	96.2	Very high	89.9	Confident	19 Å²	19	20.1 Å²	20.1	10%	0.099	12%	0.115	C	C	.	.	H	α-helix	trans	-60.9	-46.7	176.9	177.2	62.8	0	0	0	111.2	A322 L325 L329 A351 S352 L357 L358 L359	A322-L355 HydrophobicContact CB-CD1 3.94Å; L325-L355 HydrophobicContact CB-CB 4.29Å; L325-L355 HydrophobicContact CB-CD1 4.33Å; L325-L355 HydrophobicContact CD1-CB 4.14Å; L329-L355 HydrophobicContact CD1-CD2 3.63Å; A351-L355 WeakPolarHBondContact O-CB 3.36Å; A351-L355 PolarHBondContact O-N 3.34Å; S352-L355 PolarHBondContact O-N 3.46Å; L355-L357 VanDerWaalsContact C-N 3.3Å; L355-L357 PolarHBondContact O-N 3.45Å; L355-L358 PolarHBondContact O-N 3.39Å; L355-L359 HydrophobicContact CD1-CD1 4.22Å; L355-L359 HydrophobicContact CD1-CG 4.12Å; L355-L359 HydrophobicContact CG-CD1 4.05Å; L355-L359 HydrophobicContact CG-CG 4.38Å; L355-L359 WeakPolarHBondContact O-CB 3.25Å; L355-L359 VanDerWaalsContact O-CG 3.29Å; L355-L359 WeakPolarHBondContact O-CG 3.39Å; L355-L359 PolarHBondContact O-N 3Å
356	S	95.9	Very high	89.2	Confident	23 Å²	23	24.8 Å²	24.8	16%	0.161	14%	0.139	C	C	.	.	H	α-helix	trans	-59	-42.6	176.4	-67.4	0	0	0	0	111.9	S352 S353 L359 I360 F389	S352-S356 WeakPolarHBondContact O-CB 3.49Å; S352-S356 PolarHBondContact O-N 3.44Å; S352-S356 PolarHBondContact O-OG 2.97Å; S352-S356 VanDerWaalsContact O-OG 3.11Å; S353-S356 PolarHBondContact O-N 3.29Å; S356-L359 PolarHBondContact O-N 3.48Å; S356-I360 WeakPolarHBondContact O-CD1 3.41Å; S356-I360 VanDerWaalsContact O-CG1 3.26Å; S356-I360 WeakPolarHBondContact O-CG1 3.24Å; S356-I360 PolarHBondContact O-N 2.83Å; S356-F389 VanDerWaalsContact CB-CD1 3.48Å
357	L	92.8	Very high	88.2	Confident	4 Å²	4	27.5 Å²	27.5	2%	0.021	15%	0.153	C	C	.	.	H	α-helix	trans	-62.6	-45.3	175.9	-176.4	65.5	0	0	0	112.5	W269 S353 I354 L355 I360 Y361 I386 F389 F390	W269-L357 HydrophobicContact CH2-CD2 3.97Å; W269-L357 HydrophobicContact CH2-CG 3.97Å; W269-L357 HydrophobicContact CZ2-CD2 4.41Å; S353-L357 PolarHBondContact O-N 3.45Å; I354-L357 PolarHBondContact O-N 2.96Å; L355-L357 VanDerWaalsContact C-N 3.3Å; L355-L357 PolarHBondContact O-N 3.45Å; L357-I360 PolarHBondContact O-N 3.08Å; L357-Y361 PolarHBondContact O-N 3.29Å; L357-I386 HydrophobicContact CD1-CG2 4.12Å; L357-F389 HydrophobicContact CB-CB 4.15Å; L357-F389 HydrophobicContact CD1-CB 4.46Å; L357-F390 HydrophobicContact CD1-CD2 3.52Å; L357-F390 HydrophobicContact CD1-CE2 3.58Å; L357-F390 HydrophobicContact CD1-CG 4.16Å; L357-F390 HydrophobicContact CD1-CZ 4.27Å; L357-F390 HydrophobicContact CD2-CD1 3.72Å; L357-F390 HydrophobicContact CD2-CD2 3.94Å; L357-F390 HydrophobicContact CD2-CE1 3.66Å; L357-F390 HydrophobicContact CD2-CE2 3.87Å; L357-F390 HydrophobicContact CD2-CG 3.87Å; L357-F390 HydrophobicContact CD2-CZ 3.72Å; L357-F390 HydrophobicContact CG-CD2 4.38Å; L357-F390 HydrophobicContact CG-CE2 4.27Å; L357-F390 HydrophobicContact CG-CZ 4.49Å
358	L	92.2	Very high	87.1	Confident	2 Å²	2	28.4 Å²	28.4	1%	0.01	16%	0.158	C	C	.	.	H	α-helix	trans	-63.1	-42.2	177.5	-73.9	172.7	0	0	0	112	W269 A322 L325 I354 L355 Y361 L362	W269-L358 HydrophobicContact CH2-CD2 3.81Å; W269-L358 HydrophobicContact CZ2-CD2 4.3Å; W269-L358 HydrophobicContact CZ3-CD2 4.35Å; A322-L358 HydrophobicContact CB-CD1 4.44Å; L325-L358 HydrophobicContact CD1-CD1 3.89Å; I354-L358 HydrophobicContact CG2-CD1 4.05Å; I354-L358 HydrophobicContact CG2-CG 4.33Å; I354-L358 WeakPolarHBondContact O-CG 3.3Å; I354-L358 PolarHBondContact O-N 3.42Å; L355-L358 PolarHBondContact O-N 3.39Å; L358-Y361 PolarHBondContact O-N 3Å; L358-L362 WeakPolarHBondContact O-CB 3.23Å; L358-L362 VanDerWaalsContact O-CG 3.27Å; L358-L362 WeakPolarHBondContact O-CG 3.34Å; L358-L362 PolarHBondContact O-N 3.46Å
359	L	92.7	Very high	85.6	Confident	87 Å²	87	33.1 Å²	33.1	46%	0.455	18%	0.18	S	C	.	.	H	α-helix	trans	-61.9	-45.6	177.1	-71.9	173.8	0	0	0	110.9	L355 S356 Y361 L362 T363	L355-L359 HydrophobicContact CD1-CD1 4.22Å; L355-L359 HydrophobicContact CD1-CG 4.12Å; L355-L359 HydrophobicContact CG-CD1 4.05Å; L355-L359 HydrophobicContact CG-CG 4.38Å; L355-L359 WeakPolarHBondContact O-CB 3.25Å; L355-L359 VanDerWaalsContact O-CG 3.29Å; L355-L359 WeakPolarHBondContact O-CG 3.39Å; L355-L359 PolarHBondContact O-N 3Å; S356-L359 PolarHBondContact O-N 3.48Å; L359-Y361 VanDerWaalsContact C-N 3.35Å; L359-Y361 PolarHBondContact O-N 3.17Å; L359-L362 PolarHBondContact O-N 3.41Å; L359-T363 WeakPolarHBondContact O-CB 3.47Å; L359-T363 WeakPolarHBondContact O-CG2 3.38Å; L359-T363 PolarHBondContact O-N 3.19Å; L359-T363 PolarHBondContact O-OG1 2.7Å
360	I	89.5	Confident	84	Confident	21 Å²	21	40.7 Å²	40.7	11%	0.108	21%	0.212	C	C	.	.	H	α-helix	trans	-58.6	-49.4	176.7	-66.6	158.5	0	0	0	110.2	S356 L357 L362 T363 L364 I382 L385 I386 F389	S356-I360 WeakPolarHBondContact O-CD1 3.41Å; S356-I360 VanDerWaalsContact O-CG1 3.26Å; S356-I360 WeakPolarHBondContact O-CG1 3.24Å; S356-I360 PolarHBondContact O-N 2.83Å; L357-I360 PolarHBondContact O-N 3.08Å; I360-L362 PolarHBondContact O-N 2.93Å; I360-T363 CarbonylContact O-C 3.46Å; I360-T363 PolarHBondContact O-N 2.66Å; I360-T363 PolarHBondContact O-OG1 3.45Å; I360-L364 WeakPolarHBondContact O-CB 3.21Å; I360-L364 PolarHBondContact O-N 3.05Å; I360-I382 HydrophobicContact CG2-CG2 4.3Å; I360-L385 HydrophobicContact CD1-CB 3.67Å; I360-I386 HydrophobicContact CG2-CD1 4.06Å; I360-I386 HydrophobicContact CG2-CG1 3.52Å; I360-F389 HydrophobicContact CD1-CD2 3.42Å; I360-F389 VanDerWaalsContact CD1-CD2 3.42Å; I360-F389 HydrophobicContact CD1-CE2 3.79Å
361	Y	86.5	Confident	82.1	Confident	27 Å²	27	41.4 Å²	41.4	11%	0.106	22%	0.216	C	C	.	.	H	α-helix	trans	-61.4	-41.8	179.2	174.8	-104.3	0	0	0	113.8	W269 F272 L357 L358 L359 T363 L364 P365	W269-Y361 HydrophobicContact CB-CE2 4.25Å; W269-Y361 AromaticContact CE3-CD1 3.58Å; W269-Y361 HydrophobicContact CE3-CD1 3.58Å; W269-Y361 AromaticContact CE3-CD2 3.48Å; W269-Y361 HydrophobicContact CE3-CD2 3.48Å; W269-Y361 VanDerWaalsContact CE3-CD2 3.48Å; W269-Y361 AromaticContact CE3-CE1 3.81Å; W269-Y361 HydrophobicContact CE3-CE1 3.81Å; W269-Y361 AromaticContact CE3-CE2 3.7Å; W269-Y361 HydrophobicContact CE3-CE2 3.7Å; W269-Y361 AromaticContact CE3-CG 3.4Å; W269-Y361 HydrophobicContact CE3-CG 3.4Å; W269-Y361 VanDerWaalsContact CE3-CG 3.4Å; W269-Y361 AromaticContact CE3-CZ 3.86Å; W269-Y361 VanDerWaalsContact CZ3-CB 3.48Å; W269-Y361 AromaticContact CZ3-CD1 3.72Å; W269-Y361 HydrophobicContact CZ3-CD1 3.72Å; W269-Y361 AromaticContact CZ3-CD2 3.87Å; W269-Y361 HydrophobicContact CZ3-CD2 3.87Å; W269-Y361 HydrophobicContact CZ3-CE1 4.4Å; W269-Y361 AromaticContact CZ3-CG 3.4Å; W269-Y361 HydrophobicContact CZ3-CG 3.4Å; W269-Y361 VanDerWaalsContact CZ3-CG 3.4Å; F272-Y361 AromaticContact CE2-CD2 3.85Å; F272-Y361 HydrophobicContact CE2-CD2 3.85Å; F272-Y361 HydrophobicContact CE2-CE2 4.12Å; F272-Y361 HydrophobicContact CZ-CD2 4.27Å; L357-Y361 PolarHBondContact O-N 3.29Å; L358-Y361 PolarHBondContact O-N 3Å; L359-Y361 VanDerWaalsContact C-N 3.35Å; L359-Y361 PolarHBondContact O-N 3.17Å; Y361-T363 VanDerWaalsContact C-N 3.31Å; Y361-T363 PolarHBondContact O-N 3.07Å; Y361-L364 WeakPolarHBondContact O-CB 3.44Å; Y361-L364 PolarHBondContact O-N 3.11Å; Y361-P365 WeakPolarHBondContact O-CD 3.39Å
362	L	87	Confident	79.9	Confident	46 Å²	46	46.5 Å²	46.5	24%	0.241	24%	0.243	C	C	.	.	H	α-helix	trans	-66.8	-33.8	177	-71.7	171.3	0	0	0	112.2	I315 I319 A322 L358 L359 I360	I315-L362 HydrophobicContact CG2-CD2 4.39Å; I319-L362 HydrophobicContact CG1-CD1 4.06Å; I319-L362 HydrophobicContact CG1-CD2 3.85Å; A322-L362 HydrophobicContact CB-CD1 4.46Å; L358-L362 WeakPolarHBondContact O-CB 3.23Å; L358-L362 VanDerWaalsContact O-CG 3.27Å; L358-L362 WeakPolarHBondContact O-CG 3.34Å; L358-L362 PolarHBondContact O-N 3.46Å; L359-L362 PolarHBondContact O-N 3.41Å; I360-L362 PolarHBondContact O-N 2.93Å
363	T	83.5	Confident	77.7	Confident	57 Å²	57	51.5 Å²	51.5	35%	0.35	27%	0.266	S	S	.	.	H	α-helix	trans	-82.8	-18.3	176.7	59.2	0	0	0	0	113.6	L359 I360 Y361 L366 I367	L359-T363 WeakPolarHBondContact O-CB 3.47Å; L359-T363 WeakPolarHBondContact O-CG2 3.38Å; L359-T363 PolarHBondContact O-N 3.19Å; L359-T363 PolarHBondContact O-OG1 2.7Å; I360-T363 CarbonylContact O-C 3.46Å; I360-T363 PolarHBondContact O-N 2.66Å; I360-T363 PolarHBondContact O-OG1 3.45Å; Y361-T363 VanDerWaalsContact C-N 3.31Å; Y361-T363 PolarHBondContact O-N 3.07Å; T363-L366 WeakPolarHBondContact O-CB 3.47Å; T363-L366 PolarHBondContact O-N 2.96Å; T363-L366 VanDerWaalsContact O-N 3.11Å; T363-I367 VanDerWaalsContact O-CG1 3.32Å; T363-I367 WeakPolarHBondContact O-CG1 3.32Å; T363-I367 PolarHBondContact O-N 3.48Å; T363-I367 WeakPolarHBondContact OG1-CD1 3.44Å
364	L	80.9	Confident	75.5	Confident	6 Å²	6	58.3 Å²	58.3	3%	0.031	30%	0.302	C	S	.	.	H	α-helix	trans	-55.1	-45.2	-173.2	-176.3	65.3	0	0	0	113.4	I360 Y361 L366 I367 I368 I382 P535	I360-L364 WeakPolarHBondContact O-CB 3.21Å; I360-L364 PolarHBondContact O-N 3.05Å; Y361-L364 WeakPolarHBondContact O-CB 3.44Å; Y361-L364 PolarHBondContact O-N 3.11Å; L364-L366 PolarHBondContact O-N 3.34Å; L364-I367 PolarHBondContact O-N 2.89Å; L364-I368 HydrophobicContact CD1-CD1 3.74Å; L364-I368 HydrophobicContact CD1-CG1 3.96Å; L364-I368 HydrophobicContact CD2-CD1 4.28Å; L364-I368 HydrophobicContact CG-CD1 3.65Å; L364-I368 HydrophobicContact CG-CG1 4.24Å; L364-I368 WeakPolarHBondContact O-CB 3.29Å; L364-I368 VanDerWaalsContact O-CG1 3.26Å; L364-I368 WeakPolarHBondContact O-CG1 3.27Å; L364-I368 PolarHBondContact O-N 3.3Å; L364-I382 HydrophobicContact CD1-CD1 4.48Å; L364-I382 HydrophobicContact CD1-CG2 3.69Å; L364-P535 HydrophobicContact CD1-CG 3.9Å
365	P	70.1	Confident	74.1	Confident	35 Å²	35	61.5 Å²	61.5	23%	0.227	32%	0.319	C	S	.	.	H	α-helix	trans	-63.1	-40.8	178.3	-21.6	34.4	0	0	0	112.8	Y361 I367 I368 E369	Y361-P365 WeakPolarHBondContact O-CD 3.39Å; P365-I367 VanDerWaalsContact C-N 3.34Å; P365-I368 PolarHBondContact O-N 2.91Å; P365-E369 PolarHBondContact O-N 3.48Å; P365-E369 VanDerWaalsContact O-N 3.1Å
366	L	69.8	Low	73	Confident	118 Å²	118	61.9 Å²	61.9	62%	0.618	32%	0.319	S	S	*	.	H	α-helix	trans	-65.7	-40	178.5	-61.5	171.5	0	0	0	111.1	T363 L364 H370	T363-L366 WeakPolarHBondContact O-CB 3.47Å; T363-L366 PolarHBondContact O-N 2.96Å; T363-L366 VanDerWaalsContact O-N 3.11Å; L364-L366 PolarHBondContact O-N 3.34Å; L366-H370 PolarHBondContact O-N 2.93Å
367	I	69.2	Low	72.2	Confident	60 Å²	60	68 Å²	68	31%	0.308	35%	0.345	S	S	.	.	H	α-helix	trans	-71.8	-44.2	179.4	-61.2	164.2	0	0	0	110.2	T363 L364 P365 E369 H370 I371 I382	T363-I367 VanDerWaalsContact O-CG1 3.32Å; T363-I367 WeakPolarHBondContact O-CG1 3.32Å; T363-I367 PolarHBondContact O-N 3.48Å; T363-I367 WeakPolarHBondContact OG1-CD1 3.44Å; L364-I367 PolarHBondContact O-N 2.89Å; P365-I367 VanDerWaalsContact C-N 3.34Å; I367-E369 VanDerWaalsContact C-N 3.28Å; I367-E369 PolarHBondContact O-N 2.96Å; I367-H370 CarbonylContact O-C 3.6Å; I367-H370 WeakPolarHBondContact O-CA 3.34Å; I367-H370 PolarHBondContact O-N 3.3Å; I367-I371 HydrophobicContact CG2-CD1 3.78Å; I367-I371 HydrophobicContact CG2-CG1 4.03Å; I367-I371 VanDerWaalsContact O-CG1 3.29Å; I367-I371 WeakPolarHBondContact O-CG1 3.49Å; I367-I371 PolarHBondContact O-N 2.94Å; I367-I382 HydrophobicContact CB-CD1 4.36Å; I367-I382 HydrophobicContact CG2-CD1 3.54Å
368	I	65.1	Low	71.6	Confident	27 Å²	27	70.2 Å²	70.2	14%	0.138	36%	0.356	C	S	.	.	H	α-helix	trans	-60.1	-38.9	178.9	-72.3	173.3	0	0	0	111.4	L364 P365 H370 I371 T533	L364-I368 HydrophobicContact CD1-CD1 3.74Å; L364-I368 HydrophobicContact CD1-CG1 3.96Å; L364-I368 HydrophobicContact CD2-CD1 4.28Å; L364-I368 HydrophobicContact CG-CD1 3.65Å; L364-I368 HydrophobicContact CG-CG1 4.24Å; L364-I368 WeakPolarHBondContact O-CB 3.29Å; L364-I368 VanDerWaalsContact O-CG1 3.26Å; L364-I368 WeakPolarHBondContact O-CG1 3.27Å; L364-I368 PolarHBondContact O-N 3.3Å; P365-I368 PolarHBondContact O-N 2.91Å; I368-H370 PolarHBondContact O-N 3.38Å; I368-I371 PolarHBondContact O-N 2.71Å; I368-T533 HydrophobicContact CG2-CG2 4.02Å
369	E	60.7	Low	71	Confident	106 Å²	106	70.1 Å²	70.1	50%	0.495	36%	0.356	S	S	.	.	H	α-helix	trans	-61.4	-33.9	175.3	-173	173.9	-175.6	0	0	112.2	P365 I367	P365-E369 PolarHBondContact O-N 3.48Å; P365-E369 VanDerWaalsContact O-N 3.1Å; I367-E369 VanDerWaalsContact C-N 3.28Å; I367-E369 PolarHBondContact O-N 2.96Å
370	H	58	Low	70.6	Confident	170 Å²	170	66.5 Å²	66.5	79%	0.787	34%	0.338	S	S	*	.	H	α-helix	trans	-90	-12.9	178.1	-129.9	69.8	0	0	0	114.1	L366 I367 I368 N372	L366-H370 PolarHBondContact O-N 2.93Å; I367-H370 CarbonylContact O-C 3.6Å; I367-H370 WeakPolarHBondContact O-CA 3.34Å; I367-H370 PolarHBondContact O-N 3.3Å; I368-H370 PolarHBondContact O-N 3.38Å; H370-N372 PolarHBondContact O-N 3.3Å
371	I	55.1	Low	70.6	Confident	18 Å²	18	69 Å²	69	9%	0.092	35%	0.35	C	S	.	.			trans	-72.1	84.8	170.3	-67.9	164.8	0	0	0	106.5	I367 I368 L378 C379 I382	I367-I371 HydrophobicContact CG2-CD1 3.78Å; I367-I371 HydrophobicContact CG2-CG1 4.03Å; I367-I371 VanDerWaalsContact O-CG1 3.29Å; I367-I371 WeakPolarHBondContact O-CG1 3.49Å; I367-I371 PolarHBondContact O-N 2.94Å; I368-I371 PolarHBondContact O-N 2.71Å; I371-L378 HydrophobicContact CG1-CB 4.5Å; I371-C379 HydrophobicContact CD1-CB 4.49Å; I371-I382 HydrophobicContact CD1-CD1 3.84Å
372	N	48.1	Very low	70.6	Confident	106 Å²	106	68 Å²	68	57%	0.567	35%	0.346	S	S	*	.			trans	-57	148.9	154.1	-121.9	-16.8	0	0	0	107.8	H370 L374 N375	H370-N372 PolarHBondContact O-N 3.3Å; N372-L374 PolarHBondContact O-N 2.89Å; N372-N375 PolarHBondContact O-N 3.27Å; N372-N375 VanDerWaalsContact O-N 3.17Å
373	I	48.2	Very low	70.7	Confident	135 Å²	135	65.9 Å²	65.9	69%	0.692	34%	0.335	S	S	*	.	G	3₁₀ helix	trans	-45.8	-25.8	-179.1	-66.4	165.6	0	0	0	112.6	N375	I373-N375 PolarHBondContact O-N 3.27Å
374	L	48.9	Very low	71.2	Confident	148 Å²	148	65.9 Å²	65.9	78%	0.775	33%	0.33	S	S	*	.	G	3₁₀ helix	trans	-61.4	-27.1	-178.2	-81.5	126.3	0	0	0	116.5	N372	N372-L374 PolarHBondContact O-N 2.89Å
375	N	66.3	Low	71.8	Confident	76 Å²	76	68.2 Å²	68.2	41%	0.406	34%	0.342	S	S	.	.	G	3₁₀ helix	trans	-111.7	57.3	-173.4	-82.8	-19.5	0	0	0	114.1	N372 I373 Q377 L378 C379	N372-N375 PolarHBondContact O-N 3.27Å; N372-N375 VanDerWaalsContact O-N 3.17Å; I373-N375 PolarHBondContact O-N 3.27Å; N375-Q377 PolarHBondContact O-N 2.93Å; N375-L378 HydrophobicContact CB-CB 4.19Å; N375-L378 HydrophobicContact CB-CD1 3.61Å; N375-L378 HydrophobicContact CB-CG 3.86Å; N375-L378 WeakPolarHBondContact O-CB 3.27Å; N375-L378 PolarHBondContact O-N 3.36Å; N375-C379 PolarHBondContact O-N 3.47Å
376	R	71.8	Confident	72.8	Confident	28 Å²	28	66.6 Å²	66.6	11%	0.106	33%	0.332	C	S	.	.	H	α-helix	trans	-47.5	-36.7	168.6	178.4	179.5	170.9	-78.8	-4.7	112.4	L378 C379 V380 N485 E486 C527	R376-L378 VanDerWaalsContact C-N 3.27Å; R376-L378 PolarHBondContact O-N 3.35Å; R376-C379 WeakPolarHBondContact O-CB 3.3Å; R376-C379 PolarHBondContact O-N 2.91Å; R376-C379 VanDerWaalsContact O-N 3.09Å; R376-V380 HydrophobicContact CG-CG2 4.17Å; R376-V380 WeakPolarHBondContact O-CG2 3.3Å; R376-V380 PolarHBondContact O-N 3.19Å; R376-N485 PolarHBondContact NH2-ND2 3.28Å; R376-E486 IonicContact CZ-OE1 3.39Å; R376-E486 VanDerWaalsContact CZ-OE1 3.29Å; R376-E486 IonicContact CZ-OE2 3.21Å; R376-E486 VanDerWaalsContact NH1-CD 3.3Å; R376-E486 IonicContact NH1-OE1 3.22Å; R376-E486 PolarHBondContact NH1-OE1 2.02Å; R376-E486 IonicContact NH1-OE2 3.3Å; R376-E486 PolarHBondContact NH1-OE2 2.7Å; R376-E486 IonicContact NH2-OE1 3.13Å; R376-E486 PolarHBondContact NH2-OE1 3.36Å; R376-E486 IonicContact NH2-OE2 3.65Å; R376-C527 HydrophobicContact CG-CB 4.46Å
377	Q	79.5	Confident	73.9	Confident	151 Å²	151	61 Å²	61	71%	0.706	30%	0.302	S	S	*	.	H	α-helix	trans	-57.3	-37.9	176.6	-67.7	-179	-8.4	0	0	112.7	N375 V380 M381	N375-Q377 PolarHBondContact O-N 2.93Å; Q377-V380 PolarHBondContact O-N 2.99Å; Q377-M381 VanDerWaalsContact O-CB 3.29Å; Q377-M381 WeakPolarHBondContact O-CB 3.42Å; Q377-M381 PolarHBondContact O-N 2.95Å
378	L	80.1	Confident	75.2	Confident	50 Å²	50	59.3 Å²	59.3	26%	0.262	29%	0.292	S	S	.	.	H	α-helix	trans	-66.4	-43.3	174.5	-69.3	175.8	0	0	0	111.1	I371 N375 R376 V380 M381 I382	I371-L378 HydrophobicContact CG1-CB 4.5Å; N375-L378 HydrophobicContact CB-CB 4.19Å; N375-L378 HydrophobicContact CB-CD1 3.61Å; N375-L378 HydrophobicContact CB-CG 3.86Å; N375-L378 WeakPolarHBondContact O-CB 3.27Å; N375-L378 PolarHBondContact O-N 3.36Å; R376-L378 VanDerWaalsContact C-N 3.27Å; R376-L378 PolarHBondContact O-N 3.35Å; L378-V380 PolarHBondContact O-N 3.45Å; L378-M381 HydrophobicContact CD2-CE 3.86Å; L378-M381 WeakPolarHBondContact O-CB 3.39Å; L378-M381 PolarHBondContact O-N 3.23Å; L378-I382 VanDerWaalsContact O-CG1 3.25Å; L378-I382 WeakPolarHBondContact O-CG1 3.31Å; L378-I382 PolarHBondContact O-N 2.89Å
379	C	80	Confident	76.6	Confident	0 Å²	0	59.1 Å²	59.1	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-60.3	-45.5	175.8	-179.9	0	0	0	0	111.6	I371 N375 R376 M381 I382 A383 C527 C532 P535	I371-C379 HydrophobicContact CD1-CB 4.49Å; N375-C379 PolarHBondContact O-N 3.47Å; R376-C379 WeakPolarHBondContact O-CB 3.3Å; R376-C379 PolarHBondContact O-N 2.91Å; R376-C379 VanDerWaalsContact O-N 3.09Å; C379-M381 VanDerWaalsContact C-N 3.33Å; C379-M381 PolarHBondContact O-N 3.43Å; C379-I382 PolarHBondContact O-N 3.33Å; C379-A383 PolarHBondContact O-N 3.1Å; C379-C527 HydrophobicContact CB-CB 3.89Å; C379-C527 WeakPolarHBondContact CB-SG 3Å; C379-C527 WeakPolarHBondContact SG-CB 3.36Å; C379-C527 CovalentContact SG-SG 2.03Å; C379-C527 PolarHBondContact SG-SG 3.33Å; C379-C532 PolarHBondContact SG-O 3.42Å; C379-P535 WeakPolarHBondContact O-CB 3.44Å
380	V	84.7	Confident	78.2	Confident	12 Å²	12	54.1 Å²	54.1	7%	0.073	27%	0.267	C	S	.	.	H	α-helix	trans	-65.1	-37.6	177.3	176.4	0	0	0	0	111.3	R376 Q377 L378 A383 F384 I482 C527	R376-V380 HydrophobicContact CG-CG2 4.17Å; R376-V380 WeakPolarHBondContact O-CG2 3.3Å; R376-V380 PolarHBondContact O-N 3.19Å; Q377-V380 PolarHBondContact O-N 2.99Å; L378-V380 PolarHBondContact O-N 3.45Å; V380-A383 WeakPolarHBondContact O-CB 3.47Å; V380-A383 PolarHBondContact O-N 2.89Å; V380-F384 PolarHBondContact O-N 3.39Å; V380-I482 HydrophobicContact CG1-CD1 4.1Å; V380-I482 HydrophobicContact CG1-CG2 4.17Å; V380-C527 HydrophobicContact CG2-CB 4.35Å; V380-C527 PolarHBondContact N-SG 3.5Å
381	M	88.4	Confident	79.9	Confident	73 Å²	73	46.1 Å²	46.1	36%	0.36	23%	0.23	S	C	.	.	H	α-helix	trans	-63.2	-41.7	173.9	-175.1	-173.2	70.1	0	0	111.6	Q377 L378 C379 A383 F384 L385	Q377-M381 VanDerWaalsContact O-CB 3.29Å; Q377-M381 WeakPolarHBondContact O-CB 3.42Å; Q377-M381 PolarHBondContact O-N 2.95Å; L378-M381 HydrophobicContact CD2-CE 3.86Å; L378-M381 WeakPolarHBondContact O-CB 3.39Å; L378-M381 PolarHBondContact O-N 3.23Å; C379-M381 VanDerWaalsContact C-N 3.33Å; C379-M381 PolarHBondContact O-N 3.43Å; M381-A383 VanDerWaalsContact C-N 3.35Å; M381-F384 WeakPolarHBondContact O-CB 3.07Å; M381-F384 PolarHBondContact O-N 3.39Å; M381-L385 HydrophobicContact CG-CD1 4.45Å; M381-L385 VanDerWaalsContact O-CG 3.3Å; M381-L385 WeakPolarHBondContact O-CG 3.39Å; M381-L385 PolarHBondContact O-N 3.22Å
382	I	87.2	Confident	81.8	Confident	7 Å²	7	45.5 Å²	45.5	4%	0.036	23%	0.228	C	C	.	.	H	α-helix	trans	-63	-44.1	174.7	-66.6	163.2	0	0	0	110.2	I360 L364 I367 I371 L378 C379 F384 L385 I386 P535	I360-I382 HydrophobicContact CG2-CG2 4.3Å; L364-I382 HydrophobicContact CD1-CD1 4.48Å; L364-I382 HydrophobicContact CD1-CG2 3.69Å; I367-I382 HydrophobicContact CB-CD1 4.36Å; I367-I382 HydrophobicContact CG2-CD1 3.54Å; I371-I382 HydrophobicContact CD1-CD1 3.84Å; L378-I382 VanDerWaalsContact O-CG1 3.25Å; L378-I382 WeakPolarHBondContact O-CG1 3.31Å; L378-I382 PolarHBondContact O-N 2.89Å; C379-I382 PolarHBondContact O-N 3.33Å; I382-F384 VanDerWaalsContact C-N 3.32Å; I382-F384 PolarHBondContact O-N 2.96Å; I382-L385 PolarHBondContact O-N 3.34Å; I382-L385 VanDerWaalsContact O-N 3.14Å; I382-I386 HydrophobicContact CG2-CD1 3.69Å; I382-I386 HydrophobicContact CG2-CG1 4.2Å; I382-I386 WeakPolarHBondContact O-CG1 3.33Å; I382-I386 PolarHBondContact O-N 2.93Å; I382-P535 HydrophobicContact CB-CB 4.03Å; I382-P535 HydrophobicContact CB-CG 4.5Å; I382-P535 HydrophobicContact CG2-CB 3.77Å; I382-P535 HydrophobicContact CG2-CG 3.8Å
383	A	89.5	Confident	84	Confident	0 Å²	0	40.5 Å²	40.5	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-58.2	-45.2	177	0	0	0	0	0	111.6	C379 V380 M381 L385 I386 H387 F526 P535	C379-A383 PolarHBondContact O-N 3.1Å; V380-A383 WeakPolarHBondContact O-CB 3.47Å; V380-A383 PolarHBondContact O-N 2.89Å; M381-A383 VanDerWaalsContact C-N 3.35Å; A383-L385 PolarHBondContact O-N 3.41Å; A383-I386 PolarHBondContact O-N 3.09Å; A383-H387 VanDerWaalsContact O-CB 3.29Å; A383-H387 WeakPolarHBondContact O-CB 2.97Å; A383-H387 PolarHBondContact O-N 3.39Å; A383-F526 HydrophobicContact CB-CB 3.95Å; A383-F526 HydrophobicContact CB-CD1 3.97Å; A383-F526 HydrophobicContact CB-CD2 4.12Å; A383-F526 HydrophobicContact CB-CE1 4.47Å; A383-F526 HydrophobicContact CB-CG 3.76Å; A383-P535 VanDerWaalsContact CA-O 3.32Å; A383-P535 WeakPolarHBondContact CA-O 3.09Å; A383-P535 HydrophobicContact CB-CB 3.93Å; A383-P535 VanDerWaalsContact CB-O 3.31Å; A383-P535 WeakPolarHBondContact CB-O 3.49Å
384	F	93.5	Very high	86.2	Confident	57 Å²	57	34.1 Å²	34.1	25%	0.25	17%	0.168	C	C	.	.	H	α-helix	trans	-56	-48.6	173.5	172.2	-88.2	0	0	0	111.9	V380 M381 I382 Y388 F475 V478 I479 I482	V380-F384 PolarHBondContact O-N 3.39Å; M381-F384 WeakPolarHBondContact O-CB 3.07Å; M381-F384 PolarHBondContact O-N 3.39Å; I382-F384 VanDerWaalsContact C-N 3.32Å; I382-F384 PolarHBondContact O-N 2.96Å; F384-Y388 WeakPolarHBondContact O-CB 3.35Å; F384-Y388 PolarHBondContact O-N 3.48Å; F384-F475 HydrophobicContact CE1-CE1 4.18Å; F384-F475 HydrophobicContact CE2-CD1 4.31Å; F384-F475 HydrophobicContact CE2-CE1 4.34Å; F384-F475 AromaticContact CZ-CD1 3.91Å; F384-F475 HydrophobicContact CZ-CD1 3.91Å; F384-F475 AromaticContact CZ-CE1 3.52Å; F384-F475 HydrophobicContact CZ-CE1 3.52Å; F384-V478 HydrophobicContact CB-CG1 4.43Å; F384-V478 HydrophobicContact CD2-CB 4.49Å; F384-V478 HydrophobicContact CD2-CG1 3.28Å; F384-V478 HydrophobicContact CE2-CG1 3.69Å; F384-V478 HydrophobicContact CG-CG1 3.97Å; F384-I479 HydrophobicContact CE2-CG1 4.35Å; F384-I482 HydrophobicContact CB-CD1 4.24Å; F384-I482 HydrophobicContact CB-CG1 4.27Å; F384-I482 HydrophobicContact CD2-CG1 3.98Å
385	L	93.4	Very high	88.4	Confident	55 Å²	55	27.2 Å²	27.2	29%	0.288	13%	0.132	S	C	.	.	H	α-helix	trans	-65.8	-46	-177.8	-68.2	171.8	0	0	0	111.9	I360 M381 I382 A383 Y388 F389	I360-L385 HydrophobicContact CD1-CB 3.67Å; M381-L385 HydrophobicContact CG-CD1 4.45Å; M381-L385 VanDerWaalsContact O-CG 3.3Å; M381-L385 WeakPolarHBondContact O-CG 3.39Å; M381-L385 PolarHBondContact O-N 3.22Å; I382-L385 PolarHBondContact O-N 3.34Å; I382-L385 VanDerWaalsContact O-N 3.14Å; A383-L385 PolarHBondContact O-N 3.41Å; L385-Y388 PolarHBondContact O-N 2.7Å; L385-F389 HydrophobicContact CB-CD2 4.4Å; L385-F389 HydrophobicContact CB-CE2 4.43Å; L385-F389 HydrophobicContact CD2-CE2 4.02Å; L385-F389 WeakPolarHBondContact O-CD2 3.4Å; L385-F389 PolarHBondContact O-N 2.81Å
386	I	91	Very high	89.7	Confident	2 Å²	2	24.6 Å²	24.6	1%	0.01	12%	0.116	C	C	.	.	H	α-helix	trans	-59.7	-52	178	-63.8	173	0	0	0	109.6	F272 L357 I360 I382 A383 Y388 F389 F390 P535 W536	F272-I386 HydrophobicContact CD1-CG2 4.3Å; F272-I386 HydrophobicContact CE1-CD1 4.48Å; F272-I386 HydrophobicContact CE1-CG2 3.83Å; F272-I386 HydrophobicContact CZ-CG2 4.49Å; L357-I386 HydrophobicContact CD1-CG2 4.12Å; I360-I386 HydrophobicContact CG2-CD1 4.06Å; I360-I386 HydrophobicContact CG2-CG1 3.52Å; I382-I386 HydrophobicContact CG2-CD1 3.69Å; I382-I386 HydrophobicContact CG2-CG1 4.2Å; I382-I386 WeakPolarHBondContact O-CG1 3.33Å; I382-I386 PolarHBondContact O-N 2.93Å; A383-I386 PolarHBondContact O-N 3.09Å; I386-Y388 VanDerWaalsContact C-N 3.35Å; I386-Y388 PolarHBondContact O-N 3.16Å; I386-F389 PolarHBondContact O-N 3.26Å; I386-F390 HydrophobicContact CG2-CD2 3.72Å; I386-F390 HydrophobicContact CG2-CE2 3.77Å; I386-F390 WeakPolarHBondContact O-CD2 3.17Å; I386-F390 PolarHBondContact O-N 2.91Å; I386-P535 HydrophobicContact CD1-CG 4.38Å; I386-W536 HydrophobicContact CB-CE3 4.4Å; I386-W536 HydrophobicContact CB-CZ3 4.14Å; I386-W536 HydrophobicContact CG2-CE3 3.75Å; I386-W536 HydrophobicContact CG2-CH2 4.18Å; I386-W536 HydrophobicContact CG2-CZ3 3.39Å
387	H	93.4	Very high	90.7	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-59.6	-45	-179.1	-172.8	-169.3	0	0	0	111.6	A383 L391 V478 W536 F537 W546 F547	A383-H387 VanDerWaalsContact O-CB 3.29Å; A383-H387 WeakPolarHBondContact O-CB 2.97Å; A383-H387 PolarHBondContact O-N 3.39Å; H387-L391 WeakPolarHBondContact NE2-CD1 3.38Å; H387-L391 PolarHBondContact O-N 2.91Å; H387-V478 HydrophobicContact CB-CG1 4.43Å; H387-V478 HydrophobicContact CB-CG2 4.19Å; H387-W536 HydrophobicContact CB-CZ3 4.29Å; H387-F537 AromaticContact CE1-CZ 3.74Å; H387-F537 AromaticContact ND1-CZ 3.98Å; H387-F537 AromaticContact NE2-CZ 3.94Å; H387-W546 PolarHBondContact NE2-O 2.78Å; H387-F547 AromaticContact CD2-CD2 3.79Å
388	Y	96.1	Very high	91.3	Very high	24 Å²	24	17.2 Å²	17.2	9%	0.094	8%	0.084	C	C	.	.	H	α-helix	trans	-60.5	-52.7	177	173.4	-97.7	0	0	0	112.7	F384 L385 I386 F390 L391 C392 P474 F475	F384-Y388 WeakPolarHBondContact O-CB 3.35Å; F384-Y388 PolarHBondContact O-N 3.48Å; L385-Y388 PolarHBondContact O-N 2.7Å; I386-Y388 VanDerWaalsContact C-N 3.35Å; I386-Y388 PolarHBondContact O-N 3.16Å; Y388-F390 VanDerWaalsContact C-N 3.35Å; Y388-F390 PolarHBondContact O-N 3.44Å; Y388-L391 PolarHBondContact O-N 3.19Å; Y388-C392 HydrophobicContact CE1-CB 4.41Å; Y388-C392 VanDerWaalsContact O-CB 3.22Å; Y388-C392 WeakPolarHBondContact O-CB 3.12Å; Y388-C392 PolarHBondContact O-N 3.19Å; Y388-P474 HydrophobicContact CD2-CB 3.64Å; Y388-P474 HydrophobicContact CD2-CG 4.46Å; Y388-P474 HydrophobicContact CE2-CB 3.72Å; Y388-P474 HydrophobicContact CE2-CG 4.11Å; Y388-F475 AromaticContact CD2-CD1 3.76Å; Y388-F475 HydrophobicContact CD2-CD1 3.76Å; Y388-F475 AromaticContact CD2-CE1 3.46Å; Y388-F475 HydrophobicContact CD2-CE1 3.46Å; Y388-F475 VanDerWaalsContact CD2-CE1 3.46Å; Y388-F475 HydrophobicContact CD2-CE2 4.29Å; Y388-F475 HydrophobicContact CD2-CG 4.26Å; Y388-F475 AromaticContact CD2-CZ 3.78Å; Y388-F475 HydrophobicContact CD2-CZ 3.78Å; Y388-F475 HydrophobicContact CE1-CZ 4.48Å; Y388-F475 AromaticContact CE2-CD1 3.88Å; Y388-F475 HydrophobicContact CE2-CD1 3.88Å; Y388-F475 AromaticContact CE2-CD2 3.84Å; Y388-F475 HydrophobicContact CE2-CD2 3.84Å; Y388-F475 AromaticContact CE2-CE1 3.46Å; Y388-F475 HydrophobicContact CE2-CE1 3.46Å; Y388-F475 VanDerWaalsContact CE2-CE1 3.46Å; Y388-F475 AromaticContact CE2-CE2 3.44Å; Y388-F475 HydrophobicContact CE2-CE2 3.44Å; Y388-F475 VanDerWaalsContact CE2-CE2 3.44Å; Y388-F475 HydrophobicContact CE2-CG 4.04Å; Y388-F475 AromaticContact CE2-CZ 3.24Å; Y388-F475 HydrophobicContact CE2-CZ 3.24Å; Y388-F475 HydrophobicContact CG-CE1 4.23Å; Y388-F475 AromaticContact CZ-CE2 3.93Å; Y388-F475 AromaticContact CZ-CZ 3.66Å
389	F	95.6	Very high	91.8	Very high	24 Å²	24	15 Å²	15	11%	0.105	7%	0.073	C	C	.	.	H	α-helix	trans	-69.7	-32.1	-174.3	-75.9	-62.5	0	0	0	113	S356 L357 I360 L385 I386 S393	S356-F389 VanDerWaalsContact CB-CD1 3.48Å; L357-F389 HydrophobicContact CB-CB 4.15Å; L357-F389 HydrophobicContact CD1-CB 4.46Å; I360-F389 HydrophobicContact CD1-CD2 3.42Å; I360-F389 VanDerWaalsContact CD1-CD2 3.42Å; I360-F389 HydrophobicContact CD1-CE2 3.79Å; L385-F389 HydrophobicContact CB-CD2 4.4Å; L385-F389 HydrophobicContact CB-CE2 4.43Å; L385-F389 HydrophobicContact CD2-CE2 4.02Å; L385-F389 WeakPolarHBondContact O-CD2 3.4Å; L385-F389 PolarHBondContact O-N 2.81Å; I386-F389 PolarHBondContact O-N 3.26Å; F389-S393 WeakPolarHBondContact O-CB 3.29Å; F389-S393 PolarHBondContact O-N 2.88Å
390	F	93.2	Very high	92.3	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-59.5	-56.7	169.2	-94.4	-72.2	0	0	0	111.4	F272 L357 I386 Y388 C392 S393 F394 W536 F547 W614	F272-F390 HydrophobicContact CB-CE1 4.49Å; F272-F390 HydrophobicContact CB-CE2 3.96Å; F272-F390 HydrophobicContact CB-CZ 3.59Å; F272-F390 AromaticContact CD1-CE2 3.79Å; F272-F390 HydrophobicContact CD1-CE2 3.79Å; F272-F390 HydrophobicContact CD1-CZ 4.25Å; F272-F390 HydrophobicContact CD2-CE2 4.22Å; F272-F390 HydrophobicContact CD2-CZ 4.02Å; F272-F390 HydrophobicContact CE1-CE2 4.36Å; F272-F390 AromaticContact CG-CE2 3.74Å; F272-F390 HydrophobicContact CG-CE2 3.74Å; F272-F390 AromaticContact CG-CZ 3.71Å; F272-F390 HydrophobicContact CG-CZ 3.71Å; L357-F390 HydrophobicContact CD1-CD2 3.52Å; L357-F390 HydrophobicContact CD1-CE2 3.58Å; L357-F390 HydrophobicContact CD1-CG 4.16Å; L357-F390 HydrophobicContact CD1-CZ 4.27Å; L357-F390 HydrophobicContact CD2-CD1 3.72Å; L357-F390 HydrophobicContact CD2-CD2 3.94Å; L357-F390 HydrophobicContact CD2-CE1 3.66Å; L357-F390 HydrophobicContact CD2-CE2 3.87Å; L357-F390 HydrophobicContact CD2-CG 3.87Å; L357-F390 HydrophobicContact CD2-CZ 3.72Å; L357-F390 HydrophobicContact CG-CD2 4.38Å; L357-F390 HydrophobicContact CG-CE2 4.27Å; L357-F390 HydrophobicContact CG-CZ 4.49Å; I386-F390 HydrophobicContact CG2-CD2 3.72Å; I386-F390 HydrophobicContact CG2-CE2 3.77Å; I386-F390 WeakPolarHBondContact O-CD2 3.17Å; I386-F390 PolarHBondContact O-N 2.91Å; Y388-F390 VanDerWaalsContact C-N 3.35Å; Y388-F390 PolarHBondContact O-N 3.44Å; F390-C392 VanDerWaalsContact C-N 3.28Å; F390-C392 PolarHBondContact O-N 3.39Å; F390-S393 WeakPolarHBondContact O-CB 3.29Å; F390-S393 PolarHBondContact O-N 2.96Å; F390-S393 PolarHBondContact O-OG 3.37Å; F390-F394 HydrophobicContact CB-CE2 4.46Å; F390-F394 AromaticContact CD1-CE2 3.97Å; F390-F394 HydrophobicContact CD1-CE2 3.97Å; F390-F394 WeakPolarHBondContact O-CD2 3.49Å; F390-F394 PolarHBondContact O-N 2.62Å; F390-F394 VanDerWaalsContact O-N 3.16Å; F390-W536 HydrophobicContact CD2-CH2 4.05Å; F390-W536 HydrophobicContact CD2-CZ3 4.5Å; F390-W536 HydrophobicContact CE2-CH2 4.35Å; F390-F547 HydrophobicContact CB-CE2 3.58Å; F390-F547 HydrophobicContact CB-CZ 4.01Å; F390-F547 HydrophobicContact CD1-CE2 4.45Å; F390-F547 HydrophobicContact CD1-CZ 4.02Å; F390-F547 HydrophobicContact CD2-CE2 4.41Å; F390-F547 HydrophobicContact CD2-CZ 4.34Å; F390-F547 AromaticContact CG-CE2 3.96Å; F390-F547 HydrophobicContact CG-CE2 3.96Å; F390-F547 AromaticContact CG-CZ 3.91Å; F390-F547 HydrophobicContact CG-CZ 3.91Å; F390-W614 HydrophobicContact CD1-CH2 4.23Å; F390-W614 HydrophobicContact CD1-CZ3 4.46Å; F390-W614 AromaticContact CE1-CH2 3.45Å; F390-W614 HydrophobicContact CE1-CH2 3.45Å; F390-W614 VanDerWaalsContact CE1-CH2 3.45Å; F390-W614 HydrophobicContact CE1-CZ2 4.37Å; F390-W614 AromaticContact CE1-CZ3 3.6Å; F390-W614 HydrophobicContact CE1-CZ3 3.6Å; F390-W614 HydrophobicContact CZ-CH2 4.33Å; F390-W614 HydrophobicContact CZ-CZ3 4.47Å
391	L	94.5	Very high	92.5	Very high	2 Å²	2	14.9 Å²	14.9	1%	0.01	7%	0.071	C	C	.	.	H	α-helix	trans	-60.6	-39.6	-179.5	-72.9	179.4	0	0	0	111.9	H387 Y388 S393 F394 I395 P474 F477 V478 F547	H387-L391 WeakPolarHBondContact NE2-CD1 3.38Å; H387-L391 PolarHBondContact O-N 2.91Å; Y388-L391 PolarHBondContact O-N 3.19Å; L391-S393 VanDerWaalsContact C-N 3.3Å; L391-S393 PolarHBondContact O-N 3.45Å; L391-F394 PolarHBondContact O-N 2.93Å; L391-I395 WeakPolarHBondContact O-CG1 3.46Å; L391-I395 PolarHBondContact O-N 3.25Å; L391-P474 HydrophobicContact CB-CB 3.96Å; L391-F477 HydrophobicContact CD1-CB 3.72Å; L391-F477 HydrophobicContact CD1-CG 4.33Å; L391-V478 HydrophobicContact CD1-CG2 4.09Å; L391-F547 HydrophobicContact CD2-CD2 4.43Å
392	C	95.4	Very high	92.4	Very high	6 Å²	6	14.5 Å²	14.5	4%	0.041	7%	0.07	C	C	.	.	H	α-helix	trans	-57.8	-44.2	174.9	-166.5	0	0	0	0	111.1	Y388 F390 F394 I395 W396 S470 P474	Y388-C392 HydrophobicContact CE1-CB 4.41Å; Y388-C392 VanDerWaalsContact O-CB 3.22Å; Y388-C392 WeakPolarHBondContact O-CB 3.12Å; Y388-C392 PolarHBondContact O-N 3.19Å; F390-C392 VanDerWaalsContact C-N 3.28Å; F390-C392 PolarHBondContact O-N 3.39Å; C392-F394 PolarHBondContact O-N 3.46Å; C392-I395 PolarHBondContact O-N 3.4Å; C392-W396 PolarHBondContact O-N 3.45Å; C392-W396 VanDerWaalsContact SG-CD1 3.59Å; C392-W396 PolarHBondContact SG-NE1 3.43Å; C392-S470 PolarHBondContact SG-O 2.93Å; C392-P474 HydrophobicContact CB-CG 4Å
393	S	94.3	Very high	92.3	Very high	1 Å²	1	14.8 Å²	14.8	1%	0.007	7%	0.071	C	C	.	.	H	α-helix	trans	-61.1	-44.4	177.1	79.6	0	0	0	0	112.3	L350 S353 F389 F390 L391 I395 W396 M397	L350-S393 WeakPolarHBondContact CD1-O 3.36Å; S353-S393 VanDerWaalsContact OG-CA 3.3Å; S353-S393 WeakPolarHBondContact OG-CA 3.49Å; S353-S393 WeakPolarHBondContact OG-CB 3.26Å; F389-S393 WeakPolarHBondContact O-CB 3.29Å; F389-S393 PolarHBondContact O-N 2.88Å; F390-S393 WeakPolarHBondContact O-CB 3.29Å; F390-S393 PolarHBondContact O-N 2.96Å; F390-S393 PolarHBondContact O-OG 3.37Å; L391-S393 VanDerWaalsContact C-N 3.3Å; L391-S393 PolarHBondContact O-N 3.45Å; S393-I395 PolarHBondContact O-N 2.84Å; S393-W396 PolarHBondContact O-N 2.89Å; S393-M397 WeakPolarHBondContact O-CG 3.26Å; S393-M397 PolarHBondContact O-N 3.42Å
394	F	94	Very high	92	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-65.1	-37.6	177.9	-67.4	-68.8	0	0	0	112.6	L273 F390 L391 C392 M397 L398 T551 L554 L555 W614	L273-F394 HydrophobicContact CD1-CZ 4.26Å; F390-F394 HydrophobicContact CB-CE2 4.46Å; F390-F394 AromaticContact CD1-CE2 3.97Å; F390-F394 HydrophobicContact CD1-CE2 3.97Å; F390-F394 WeakPolarHBondContact O-CD2 3.49Å; F390-F394 PolarHBondContact O-N 2.62Å; F390-F394 VanDerWaalsContact O-N 3.16Å; L391-F394 PolarHBondContact O-N 2.93Å; C392-F394 PolarHBondContact O-N 3.46Å; F394-M397 HydrophobicContact CB-CE 4.31Å; F394-M397 HydrophobicContact CD1-CE 3.19Å; F394-M397 HydrophobicContact CE1-CE 3.6Å; F394-M397 HydrophobicContact CG-CE 3.95Å; F394-M397 PolarHBondContact O-N 2.98Å; F394-L398 PolarHBondContact O-N 3.03Å; F394-T551 HydrophobicContact CD1-CG2 3.84Å; F394-T551 HydrophobicContact CD2-CG2 3.62Å; F394-T551 HydrophobicContact CE1-CG2 3.58Å; F394-T551 HydrophobicContact CE2-CG2 3.32Å; F394-T551 HydrophobicContact CG-CG2 3.91Å; F394-T551 HydrophobicContact CZ-CG2 3.33Å; F394-L554 HydrophobicContact CB-CB 4.44Å; F394-L554 HydrophobicContact CB-CD1 3.7Å; F394-L555 HydrophobicContact CD1-CD1 4.44Å; F394-L555 HydrophobicContact CD1-CD2 4.04Å; F394-L555 HydrophobicContact CD1-CG 4.05Å; F394-L555 HydrophobicContact CE1-CD1 3.9Å; F394-L555 HydrophobicContact CE1-CD2 3.91Å; F394-L555 HydrophobicContact CE1-CG 3.96Å; F394-W614 HydrophobicContact CE1-CB 3.98Å; F394-W614 AromaticContact CE1-CD1 3.83Å; F394-W614 AromaticContact CE1-CD2 3.97Å; F394-W614 HydrophobicContact CE1-CD2 3.97Å; F394-W614 AromaticContact CE1-CG 3.64Å; F394-W614 HydrophobicContact CE1-CG 3.64Å; F394-W614 HydrophobicContact CZ-CB 4.4Å; F394-W614 AromaticContact CZ-CD2 3.77Å; F394-W614 HydrophobicContact CZ-CD2 3.77Å; F394-W614 HydrophobicContact CZ-CE3 4.05Å; F394-W614 AromaticContact CZ-CG 3.93Å; F394-W614 HydrophobicContact CZ-CG 3.93Å
395	I	94.1	Very high	91.4	Very high	3 Å²	3	14.3 Å²	14.3	2%	0.015	7%	0.071	C	C	.	.	H	α-helix	trans	-73.8	-32.5	178.5	-63.6	161.6	0	0	0	111.4	L391 C392 S393 L398 T399 L473 P474 L554	L391-I395 WeakPolarHBondContact O-CG1 3.46Å; L391-I395 PolarHBondContact O-N 3.25Å; C392-I395 PolarHBondContact O-N 3.4Å; S393-I395 PolarHBondContact O-N 2.84Å; I395-L398 WeakPolarHBondContact O-CB 3.42Å; I395-L398 PolarHBondContact O-N 3.4Å; I395-T399 WeakPolarHBondContact O-CB 3.42Å; I395-T399 PolarHBondContact O-N 2.79Å; I395-T399 PolarHBondContact O-OG1 2.95Å; I395-L473 HydrophobicContact CD1-CB 3.92Å; I395-L473 HydrophobicContact CD1-CD2 3.72Å; I395-L473 HydrophobicContact CD1-CG 3.77Å; I395-L473 HydrophobicContact CG1-CD2 4.13Å; I395-L473 HydrophobicContact CG2-CD2 4.26Å; I395-P474 HydrophobicContact CD1-CB 4.45Å; I395-P474 HydrophobicContact CD1-CG 3.68Å; I395-L554 HydrophobicContact CG1-CD1 3.99Å
396	W	94.5	Very high	90.7	Very high	21 Å²	21	15.5 Å²	15.5	8%	0.08	8%	0.078	C	C	.	.	H	α-helix	trans	-62.7	-41.9	168.2	-82.2	114.5	0	0	0	111.9	L346 L350 C392 S393 T399 F400 S470	L346-W396 HydrophobicContact CD2-CE3 4.16Å; L346-W396 HydrophobicContact CD2-CZ3 3.7Å; L350-W396 HydrophobicContact CB-CB 4.02Å; L350-W396 HydrophobicContact CD1-CB 4.08Å; C392-W396 PolarHBondContact O-N 3.45Å; C392-W396 VanDerWaalsContact SG-CD1 3.59Å; C392-W396 PolarHBondContact SG-NE1 3.43Å; S393-W396 PolarHBondContact O-N 2.89Å; W396-T399 PolarHBondContact O-N 3.44Å; W396-F400 WeakPolarHBondContact O-CB 3.34Å; W396-F400 PolarHBondContact O-N 3Å; W396-S470 VanDerWaalsContact CE2-CB 3.49Å
397	M	93.1	Very high	90	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-62.8	-43.6	174.3	-65.7	-172.3	-73.4	0	0	111.5	L350 S393 F394 T399 F400 G401 N558 I609 G611	L350-M397 HydrophobicContact CD1-CG 3.6Å; L350-M397 HydrophobicContact CD1-SD 4.41Å; L350-M397 HydrophobicContact CD2-CG 4.06Å; L350-M397 HydrophobicContact CG-CG 4.49Å; S393-M397 WeakPolarHBondContact O-CG 3.26Å; S393-M397 PolarHBondContact O-N 3.42Å; F394-M397 HydrophobicContact CB-CE 4.31Å; F394-M397 HydrophobicContact CD1-CE 3.19Å; F394-M397 HydrophobicContact CE1-CE 3.6Å; F394-M397 HydrophobicContact CG-CE 3.95Å; F394-M397 PolarHBondContact O-N 2.98Å; M397-T399 PolarHBondContact O-N 3.3Å; M397-F400 WeakPolarHBondContact O-CB 3.27Å; M397-F400 PolarHBondContact O-N 3.28Å; M397-G401 PolarHBondContact O-N 3.27Å; M397-N558 WeakPolarHBondContact CB-ND2 3.25Å; M397-I609 VanDerWaalsContact CG-O 3.3Å; M397-I609 WeakPolarHBondContact CG-O 3.41Å; M397-G611 WeakPolarHBondContact SD-CA 3.37Å
398	L	92	Very high	88.9	Confident	24 Å²	24	19.8 Å²	19.8	13%	0.126	10%	0.1	C	C	.	.	H	α-helix	trans	-56.9	-50.8	173.5	175.8	72.7	0	0	0	111.5	F394 I395 F400 G401 I402 L554 F557 N558	F394-L398 PolarHBondContact O-N 3.03Å; I395-L398 WeakPolarHBondContact O-CB 3.42Å; I395-L398 PolarHBondContact O-N 3.4Å; L398-F400 VanDerWaalsContact C-N 3.26Å; L398-F400 PolarHBondContact O-N 3.19Å; L398-G401 CarbonylContact O-C 3.55Å; L398-G401 WeakPolarHBondContact O-CA 3.45Å; L398-G401 PolarHBondContact O-N 3.44Å; L398-I402 HydrophobicContact CD1-CD1 4.18Å; L398-I402 HydrophobicContact CD1-CG1 4.4Å; L398-I402 HydrophobicContact CD2-CD1 4.27Å; L398-I402 HydrophobicContact CG-CD1 3.89Å; L398-I402 HydrophobicContact CG-CG1 4.44Å; L398-I402 WeakPolarHBondContact O-CG1 3.42Å; L398-I402 PolarHBondContact O-N 2.99Å; L398-L554 HydrophobicContact CB-CD2 4.11Å; L398-L554 HydrophobicContact CD1-CD2 4.17Å; L398-L554 HydrophobicContact CD2-CD2 3.62Å; L398-L554 HydrophobicContact CG-CD2 4.15Å; L398-F557 HydrophobicContact CD1-CB 4.46Å; L398-F557 HydrophobicContact CD1-CD1 3.18Å; L398-F557 HydrophobicContact CD1-CE1 3.46Å; L398-F557 VanDerWaalsContact CD1-CE1 3.46Å; L398-F557 HydrophobicContact CD1-CG 3.93Å; L398-F557 HydrophobicContact CD1-CZ 4.41Å; L398-N558 WeakPolarHBondContact CA-OD1 3.24Å
399	T	90.5	Very high	87.6	Confident	5 Å²	5	18.8 Å²	18.8	3%	0.031	10%	0.098	C	C	.	.	H	α-helix	trans	-61.5	-38	-179	-63.3	0	0	0	0	111.2	L346 I395 W396 M397 N403 S470	L346-T399 HydrophobicContact CD2-CG2 3.77Å; I395-T399 WeakPolarHBondContact O-CB 3.42Å; I395-T399 PolarHBondContact O-N 2.79Å; I395-T399 PolarHBondContact O-OG1 2.95Å; W396-T399 PolarHBondContact O-N 3.44Å; M397-T399 PolarHBondContact O-N 3.3Å; T399-N403 WeakPolarHBondContact O-CB 3.32Å; T399-N403 PolarHBondContact O-N 3.48Å; T399-N403 VanDerWaalsContact O-N 3.09Å; T399-N403 PolarHBondContact O-ND2 2.8Å; T399-S470 PolarHBondContact OG1-OG 3.09Å
400	F	89.9	Confident	86.3	Confident	9 Å²	9	18.1 Å²	18.1	4%	0.039	10%	0.097	C	C	.	.	H	α-helix	trans	-63.2	-45.8	171.6	-169.5	-96.9	0	0	0	111.4	L346 I347 W396 M397 L398 N403 L404 L606 I609 L610	L346-F400 HydrophobicContact CB-CD2 3.91Å; L346-F400 HydrophobicContact CD1-CD2 3.99Å; I347-F400 HydrophobicContact CD1-CE2 4.22Å; I347-F400 HydrophobicContact CG1-CE2 3.99Å; W396-F400 WeakPolarHBondContact O-CB 3.34Å; W396-F400 PolarHBondContact O-N 3Å; M397-F400 WeakPolarHBondContact O-CB 3.27Å; M397-F400 PolarHBondContact O-N 3.28Å; L398-F400 VanDerWaalsContact C-N 3.26Å; L398-F400 PolarHBondContact O-N 3.19Å; F400-N403 PolarHBondContact O-N 3.08Å; F400-L404 HydrophobicContact CD1-CD1 3.75Å; F400-L404 HydrophobicContact CD1-CG 4.16Å; F400-L404 HydrophobicContact CE1-CD1 3.56Å; F400-L404 HydrophobicContact CE1-CD2 4.28Å; F400-L404 HydrophobicContact CE1-CG 3.97Å; F400-L404 WeakPolarHBondContact O-CG 3.07Å; F400-L404 PolarHBondContact O-N 3.3Å; F400-L606 HydrophobicContact CE1-CD2 4.15Å; F400-I609 HydrophobicContact CD1-CG2 3.48Å; F400-I609 VanDerWaalsContact CD1-CG2 3.48Å; F400-I609 HydrophobicContact CD2-CG2 4.35Å; F400-I609 HydrophobicContact CE1-CB 4.16Å; F400-I609 HydrophobicContact CE1-CD1 4.34Å; F400-I609 HydrophobicContact CE1-CG2 3.41Å; F400-I609 VanDerWaalsContact CE1-CG2 3.41Å; F400-I609 HydrophobicContact CE2-CG2 4.32Å; F400-I609 HydrophobicContact CG-CG2 3.96Å; F400-I609 HydrophobicContact CZ-CD1 4.22Å; F400-I609 HydrophobicContact CZ-CG2 3.88Å; F400-L610 HydrophobicContact CD1-CD2 3.94Å
401	G	89.4	Confident	85	Confident	0 Å²	0	24.4 Å²	24.4	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-59.6	-47.2	176.8	0	0	0	0	0	113.8	M397 L398 N403 L404 L405 V561	M397-G401 PolarHBondContact O-N 3.27Å; L398-G401 CarbonylContact O-C 3.55Å; L398-G401 WeakPolarHBondContact O-CA 3.45Å; L398-G401 PolarHBondContact O-N 3.44Å; G401-N403 VanDerWaalsContact C-N 3.29Å; G401-N403 PolarHBondContact O-N 3.2Å; G401-L404 WeakPolarHBondContact O-CB 3.43Å; G401-L404 PolarHBondContact O-N 3.46Å; G401-L404 VanDerWaalsContact O-N 3.13Å; G401-L405 PolarHBondContact O-N 3.44Å; G401-V561 WeakPolarHBondContact O-CG1 3.24Å
402	I	86.4	Confident	83.7	Confident	65 Å²	65	29.9 Å²	29.9	33%	0.333	16%	0.155	S	C	.	.	H	α-helix	trans	-59.7	-42.4	175.1	-67.2	170	0	0	0	110.5	L398 L404 L405 N406 F557	L398-I402 HydrophobicContact CD1-CD1 4.18Å; L398-I402 HydrophobicContact CD1-CG1 4.4Å; L398-I402 HydrophobicContact CD2-CD1 4.27Å; L398-I402 HydrophobicContact CG-CD1 3.89Å; L398-I402 HydrophobicContact CG-CG1 4.44Å; L398-I402 WeakPolarHBondContact O-CG1 3.42Å; L398-I402 PolarHBondContact O-N 2.99Å; I402-L404 VanDerWaalsContact C-N 3.31Å; I402-L404 PolarHBondContact O-N 2.91Å; I402-L405 PolarHBondContact O-N 2.92Å; I402-N406 WeakPolarHBondContact O-CB 3Å; I402-N406 VanDerWaalsContact O-CG 3.3Å; I402-N406 PolarHBondContact O-N 3.35Å; I402-N406 PolarHBondContact O-ND2 2.73Å; I402-F557 HydrophobicContact CG1-CE1 3.9Å; I402-F557 HydrophobicContact CG1-CZ 4.05Å
403	N	84.3	Confident	82.2	Confident	13 Å²	13	29.9 Å²	29.9	7%	0.07	16%	0.155	C	C	.	.	H	α-helix	trans	-65.7	-33.3	177.5	-84.8	-60	0	0	0	113	L346 T399 F400 G401 T407 R454	L346-N403 HydrophobicContact CD1-CB 3.9Å; L346-N403 VanDerWaalsContact CD1-ND2 3.28Å; L346-N403 WeakPolarHBondContact CD1-ND2 3.3Å; T399-N403 WeakPolarHBondContact O-CB 3.32Å; T399-N403 PolarHBondContact O-N 3.48Å; T399-N403 VanDerWaalsContact O-N 3.09Å; T399-N403 PolarHBondContact O-ND2 2.8Å; F400-N403 PolarHBondContact O-N 3.08Å; G401-N403 VanDerWaalsContact C-N 3.29Å; G401-N403 PolarHBondContact O-N 3.2Å; N403-T407 PolarHBondContact O-N 3.37Å; N403-T407 VanDerWaalsContact O-N 3.13Å; N403-T407 PolarHBondContact O-OG1 3.01Å; N403-R454 PolarHBondContact O-NH2 3.21Å; N403-R454 PolarHBondContact OD1-NH2 2.76Å
404	L	83.5	Confident	80.7	Confident	22 Å²	22	30.9 Å²	30.9	12%	0.115	16%	0.162	C	C	.	.	H	α-helix	trans	-67.3	-48.4	171.9	-72	172	0	0	0	111.3	F400 G401 I402 N406 T407 F408 V561 V565 L606 L610	F400-L404 HydrophobicContact CD1-CD1 3.75Å; F400-L404 HydrophobicContact CD1-CG 4.16Å; F400-L404 HydrophobicContact CE1-CD1 3.56Å; F400-L404 HydrophobicContact CE1-CD2 4.28Å; F400-L404 HydrophobicContact CE1-CG 3.97Å; F400-L404 WeakPolarHBondContact O-CG 3.07Å; F400-L404 PolarHBondContact O-N 3.3Å; G401-L404 WeakPolarHBondContact O-CB 3.43Å; G401-L404 PolarHBondContact O-N 3.46Å; G401-L404 VanDerWaalsContact O-N 3.13Å; I402-L404 VanDerWaalsContact C-N 3.31Å; I402-L404 PolarHBondContact O-N 2.91Å; L404-N406 VanDerWaalsContact C-N 3.27Å; L404-N406 PolarHBondContact O-N 2.96Å; L404-T407 WeakPolarHBondContact O-CA 3.12Å; L404-T407 VanDerWaalsContact O-CB 3.3Å; L404-T407 WeakPolarHBondContact O-CB 3.28Å; L404-T407 PolarHBondContact O-N 3.21Å; L404-F408 HydrophobicContact CD2-CE2 4.34Å; L404-F408 VanDerWaalsContact O-CD2 3.3Å; L404-F408 WeakPolarHBondContact O-CD2 3.43Å; L404-F408 PolarHBondContact O-N 2.95Å; L404-F408 VanDerWaalsContact O-N 3.08Å; L404-V561 HydrophobicContact CB-CG1 4.5Å; L404-V565 HydrophobicContact CB-CG2 4.1Å; L404-L606 HydrophobicContact CD1-CD2 3.83Å; L404-L606 HydrophobicContact CD2-CD2 4.11Å; L404-L610 HydrophobicContact CD1-CD1 4.1Å; L404-L610 HydrophobicContact CD1-CD2 4.32Å; L404-L610 HydrophobicContact CD1-CG 4.47Å
405	L	81.9	Confident	79.5	Confident	24 Å²	24	36.4 Å²	36.4	13%	0.126	19%	0.191	C	C	.	.	H	α-helix	trans	-53.9	-47.8	175.5	-74	177.5	0	0	0	110.9	G401 I402 T407 F408 G409 G410 F557 V561 I564 V565	G401-L405 PolarHBondContact O-N 3.44Å; I402-L405 PolarHBondContact O-N 2.92Å; L405-T407 PolarHBondContact O-N 3.04Å; L405-F408 PolarHBondContact O-N 2.96Å; L405-F408 VanDerWaalsContact O-N 3.15Å; L405-G409 PolarHBondContact O-N 3.45Å; L405-G410 VanDerWaalsContact O-CA 3.27Å; L405-G410 WeakPolarHBondContact O-CA 3.5Å; L405-G410 PolarHBondContact O-N 3.27Å; L405-F557 HydrophobicContact CD1-CZ 3.93Å; L405-V561 HydrophobicContact CD1-CG2 3.67Å; L405-V561 HydrophobicContact CD2-CG1 4.3Å; L405-V561 HydrophobicContact CD2-CG2 4.47Å; L405-V561 HydrophobicContact CG-CB 4.44Å; L405-V561 HydrophobicContact CG-CG1 4.01Å; L405-V561 HydrophobicContact CG-CG2 3.95Å; L405-I564 HydrophobicContact CD2-CB 4.19Å; L405-I564 HydrophobicContact CD2-CD1 4.24Å; L405-I564 HydrophobicContact CD2-CG2 3.83Å; L405-V565 HydrophobicContact CD2-CG2 4.42Å
406	N	78	Confident	78.2	Confident	80 Å²	80	37.8 Å²	37.8	43%	0.428	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-12.6	176.5	-70.7	-19.4	0	0	0	114.3	I402 L404 Q450	I402-N406 WeakPolarHBondContact O-CB 3Å; I402-N406 VanDerWaalsContact O-CG 3.3Å; I402-N406 PolarHBondContact O-N 3.35Å; I402-N406 PolarHBondContact O-ND2 2.73Å; L404-N406 VanDerWaalsContact C-N 3.27Å; L404-N406 PolarHBondContact O-N 2.96Å; N406-Q450 PolarHBondContact O-OE1 3.33Å
407	T	75.2	Confident	76.8	Confident	49 Å²	49	37.3 Å²	37.3	30%	0.301	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.6	-33.1	173.4	-52.6	0	0	0	0	111.3	N403 L404 L405 R454	N403-T407 PolarHBondContact O-N 3.37Å; N403-T407 VanDerWaalsContact O-N 3.13Å; N403-T407 PolarHBondContact O-OG1 3.01Å; L404-T407 WeakPolarHBondContact O-CA 3.12Å; L404-T407 VanDerWaalsContact O-CB 3.3Å; L404-T407 WeakPolarHBondContact O-CB 3.28Å; L404-T407 PolarHBondContact O-N 3.21Å; L405-T407 PolarHBondContact O-N 3.04Å; T407-R454 PolarHBondContact OG1-NH1 3.27Å; T407-R454 PolarHBondContact OG1-NH2 3.46Å
408	F	71.9	Confident	75.7	Confident	43 Å²	43	40.9 Å²	40.9	19%	0.189	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.9	27.1	-175	-69.7	-77.4	0	0	0	113.2	L404 L405 T413 M447 V565 H568 I569	L404-F408 HydrophobicContact CD2-CE2 4.34Å; L404-F408 VanDerWaalsContact O-CD2 3.3Å; L404-F408 WeakPolarHBondContact O-CD2 3.43Å; L404-F408 PolarHBondContact O-N 2.95Å; L404-F408 VanDerWaalsContact O-N 3.08Å; L405-F408 PolarHBondContact O-N 2.96Å; L405-F408 VanDerWaalsContact O-N 3.15Å; F408-T413 WeakPolarHBondContact O-CB 3.34Å; F408-T413 WeakPolarHBondContact O-CG2 3.43Å; F408-T413 PolarHBondContact O-OG1 2.89Å; F408-M447 HydrophobicContact CD1-CE 3.29Å; F408-M447 HydrophobicContact CE1-CE 3.72Å; F408-M447 HydrophobicContact CG-CE 4.24Å; F408-V565 HydrophobicContact CD2-CG1 3.8Å; F408-V565 HydrophobicContact CD2-CG2 4.13Å; F408-V565 HydrophobicContact CE2-CG1 3.68Å; F408-V565 HydrophobicContact CZ-CG1 4.36Å; F408-H568 AromaticContact CD1-CE1 3.88Å; F408-H568 AromaticContact CD1-ND1 3.45Å; F408-H568 WeakPolarHBondContact CD1-ND1 3.3Å; F408-I569 HydrophobicContact CE1-CG1 4.2Å; F408-I569 HydrophobicContact CZ-CD1 4.28Å; F408-I569 HydrophobicContact CZ-CG1 4.2Å
409	G	67.6	Low	74.6	Confident	4 Å²	4	43.2 Å²	43.2	4%	0.041	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	92.1	3.9	173.9	0	0	0	0	0	115.7	L405 T413	L405-G409 PolarHBondContact O-N 3.45Å; G409-T413 VanDerWaalsContact CA-OG1 3.28Å; G409-T413 WeakPolarHBondContact CA-OG1 3.41Å; G409-T413 PolarHBondContact O-OG1 3.14Å
410	G	69.4	Low	73.5	Confident	9 Å²	9	44.2 Å²	44.2	9%	0.093	24%	0.243	C	C	.	.	H	α-helix	trans	65	-154.7	173.6	0	0	0	0	0	114.5	L405 H412 T413 C414	L405-G410 VanDerWaalsContact O-CA 3.27Å; L405-G410 WeakPolarHBondContact O-CA 3.5Å; L405-G410 PolarHBondContact O-N 3.27Å; G410-H412 VanDerWaalsContact C-N 3.26Å; G410-H412 PolarHBondContact O-N 3.47Å; G410-T413 PolarHBondContact O-N 3.03Å; G410-C414 PolarHBondContact O-N 3.23Å
411	I	65.7	Low	72.6	Confident	132 Å²	132	47.9 Å²	47.9	68%	0.677	26%	0.262	S	S	*	.	H	α-helix	trans	-62.8	-33.5	-177.6	-62.8	168.5	0	0	0	111.7	T413 C414 L415	I411-T413 VanDerWaalsContact C-N 3.34Å; I411-T413 PolarHBondContact O-N 3.01Å; I411-C414 WeakPolarHBondContact O-CA 3.49Å; I411-C414 VanDerWaalsContact O-CB 3.27Å; I411-C414 WeakPolarHBondContact O-CB 3.27Å; I411-C414 PolarHBondContact O-N 3.25Å; I411-C414 VanDerWaalsContact O-N 3.11Å; I411-L415 HydrophobicContact CG2-CD1 4.14Å; I411-L415 HydrophobicContact CG2-CG 4.25Å; I411-L415 PolarHBondContact O-N 3.14Å
412	H	65.8	Low	71.8	Confident	118 Å²	118	55.4 Å²	55.4	55%	0.546	30%	0.295	S	S	.	.	H	α-helix	trans	-61.9	-43.6	-179.4	-174.1	-90.8	0	0	0	111.5	G410 C414 L415 L416	G410-H412 VanDerWaalsContact C-N 3.26Å; G410-H412 PolarHBondContact O-N 3.47Å; H412-C414 VanDerWaalsContact C-N 3.32Å; H412-C414 PolarHBondContact O-N 3.46Å; H412-L415 PolarHBondContact O-N 3.25Å; H412-L416 WeakPolarHBondContact CE1-CD1 3.39Å; H412-L416 WeakPolarHBondContact ND1-CD1 3.44Å; H412-L416 WeakPolarHBondContact O-CB 3.23Å; H412-L416 PolarHBondContact O-N 3.36Å; H412-L416 VanDerWaalsContact O-N 3.07Å
413	T	64.4	Low	70.9	Confident	5 Å²	5	54 Å²	54	3%	0.031	29%	0.288	C	S	.	.	H	α-helix	trans	-67	-34.2	174.5	-56.6	0	0	0	0	111.9	F408 G409 G410 I411 L416 C417 S446 H568	F408-T413 WeakPolarHBondContact O-CB 3.34Å; F408-T413 WeakPolarHBondContact O-CG2 3.43Å; F408-T413 PolarHBondContact O-OG1 2.89Å; G409-T413 VanDerWaalsContact CA-OG1 3.28Å; G409-T413 WeakPolarHBondContact CA-OG1 3.41Å; G409-T413 PolarHBondContact O-OG1 3.14Å; G410-T413 PolarHBondContact O-N 3.03Å; I411-T413 VanDerWaalsContact C-N 3.34Å; I411-T413 PolarHBondContact O-N 3.01Å; T413-L416 WeakPolarHBondContact O-CB 3.44Å; T413-L416 PolarHBondContact O-N 2.81Å; T413-C417 WeakPolarHBondContact O-CB 3.36Å; T413-C417 PolarHBondContact O-N 3.31Å; T413-S446 PolarHBondContact OG1-OG 2.84Å; T413-H568 VanDerWaalsContact CG2-CD2 3.47Å; T413-H568 WeakPolarHBondContact CG2-CD2 3.36Å
414	C	63.4	Low	70.1	Confident	23 Å²	23	59 Å²	59	16%	0.155	31%	0.309	C	S	.	.	H	α-helix	trans	-61	-51	172.9	-175.7	0	0	0	0	112.2	G410 I411 H412 L416 C417 C418 I564	G410-C414 PolarHBondContact O-N 3.23Å; I411-C414 WeakPolarHBondContact O-CA 3.49Å; I411-C414 VanDerWaalsContact O-CB 3.27Å; I411-C414 WeakPolarHBondContact O-CB 3.27Å; I411-C414 PolarHBondContact O-N 3.25Å; I411-C414 VanDerWaalsContact O-N 3.11Å; H412-C414 VanDerWaalsContact C-N 3.32Å; H412-C414 PolarHBondContact O-N 3.46Å; C414-L416 VanDerWaalsContact C-N 3.26Å; C414-L416 PolarHBondContact O-N 3.3Å; C414-C417 PolarHBondContact O-N 3.44Å; C414-C418 PolarHBondContact O-N 3.34Å; C414-C418 PolarHBondContact O-SG 3.41Å; C414-C418 VanDerWaalsContact O-SG 3.39Å; C414-I564 HydrophobicContact CB-CD1 4.37Å; C414-I564 HydrophobicContact CB-CG2 4.09Å; C414-I564 WeakPolarHBondContact SG-CD1 3.43Å
415	L	68.9	Low	69.5	Low	116 Å²	116	63.7 Å²	63.7	61%	0.607	34%	0.338	S	S	*	.	H	α-helix	trans	-59.2	-41.1	178.6	-72.8	170.6	0	0	0	111.6	I411 H412 S419	I411-L415 HydrophobicContact CG2-CD1 4.14Å; I411-L415 HydrophobicContact CG2-CG 4.25Å; I411-L415 PolarHBondContact O-N 3.14Å; H412-L415 PolarHBondContact O-N 3.25Å; L415-S419 VanDerWaalsContact O-CB 3.26Å; L415-S419 WeakPolarHBondContact O-CB 3.09Å; L415-S419 PolarHBondContact O-N 3.4Å
416	L	67	Low	69	Low	32 Å²	32	67 Å²	67	17%	0.168	36%	0.36	C	S	.	.	H	α-helix	trans	-58.3	-51.5	171.7	-94.5	158.6	0	0	0	110.7	H412 T413 C414 C418 S419 Y420 F439	H412-L416 WeakPolarHBondContact CE1-CD1 3.39Å; H412-L416 WeakPolarHBondContact ND1-CD1 3.44Å; H412-L416 WeakPolarHBondContact O-CB 3.23Å; H412-L416 PolarHBondContact O-N 3.36Å; H412-L416 VanDerWaalsContact O-N 3.07Å; T413-L416 WeakPolarHBondContact O-CB 3.44Å; T413-L416 PolarHBondContact O-N 2.81Å; C414-L416 VanDerWaalsContact C-N 3.26Å; C414-L416 PolarHBondContact O-N 3.3Å; L416-C418 PolarHBondContact O-N 3.34Å; L416-S419 WeakPolarHBondContact O-CB 3.46Å; L416-S419 PolarHBondContact O-N 3.44Å; L416-Y420 PolarHBondContact O-N 2.99Å; L416-F439 HydrophobicContact CB-CD2 4.05Å; L416-F439 HydrophobicContact CB-CE2 3.5Å; L416-F439 VanDerWaalsContact CB-CE2 3.5Å; L416-F439 HydrophobicContact CB-CZ 4.25Å; L416-F439 HydrophobicContact CD2-CD2 3.69Å; L416-F439 HydrophobicContact CD2-CE2 4.05Å; L416-F439 HydrophobicContact CG-CD2 4.45Å; L416-F439 HydrophobicContact CG-CE2 4.36Å; L416-F439 WeakPolarHBondContact O-CE2 3.46Å
417	C	65.7	Low	68.1	Low	11 Å²	11	68.4 Å²	68.4	7%	0.074	36%	0.362	C	S	.	.	H	α-helix	trans	-62.9	-44.1	-176	-150	0	0	0	0	111.3	T413 C414 S419 Y420 I421 F439	T413-C417 WeakPolarHBondContact O-CB 3.36Å; T413-C417 PolarHBondContact O-N 3.31Å; C414-C417 PolarHBondContact O-N 3.44Å; C417-S419 VanDerWaalsContact C-N 3.35Å; C417-S419 PolarHBondContact O-N 2.91Å; C417-Y420 PolarHBondContact O-N 3.38Å; C417-I421 WeakPolarHBondContact O-CG1 3.46Å; C417-I421 PolarHBondContact O-N 3.11Å; C417-F439 HydrophobicContact CB-CZ 4.36Å
418	C	69.4	Low	67.2	Low	75 Å²	75	70.7 Å²	70.7	51%	0.507	38%	0.38	S	S	.	.	H	α-helix	trans	-60.3	-42.8	173.2	-67.5	0	0	0	0	112	C414 L416 Y420 I421 K422	C414-C418 PolarHBondContact O-N 3.34Å; C414-C418 PolarHBondContact O-SG 3.41Å; C414-C418 VanDerWaalsContact O-SG 3.39Å; L416-C418 PolarHBondContact O-N 3.34Å; C418-Y420 VanDerWaalsContact C-N 3.34Å; C418-I421 PolarHBondContact O-N 2.96Å; C418-K422 WeakPolarHBondContact O-CB 3.39Å; C418-K422 PolarHBondContact O-N 3.46Å
419	S	69.6	Low	66.5	Low	72 Å²	72	77.2 Å²	77.2	50%	0.503	41%	0.408	S	S	.	.	H	α-helix	trans	-61.1	-42.8	174.7	-177.5	0	0	0	0	111.5	L415 L416 C417 K422 L423	L415-S419 VanDerWaalsContact O-CB 3.26Å; L415-S419 WeakPolarHBondContact O-CB 3.09Å; L415-S419 PolarHBondContact O-N 3.4Å; L416-S419 WeakPolarHBondContact O-CB 3.46Å; L416-S419 PolarHBondContact O-N 3.44Å; C417-S419 VanDerWaalsContact C-N 3.35Å; C417-S419 PolarHBondContact O-N 2.91Å; S419-K422 PolarHBondContact O-N 3.14Å; S419-L423 VanDerWaalsContact O-CB 3.29Å; S419-L423 WeakPolarHBondContact O-CB 3.22Å; S419-L423 PolarHBondContact O-N 2.93Å
420	Y	66.8	Low	66	Low	27 Å²	27	85 Å²	85	11%	0.106	44%	0.444	C	S	.	.	H	α-helix	trans	-64.6	-45.8	177.5	-178.8	-101.3	0	0	0	112.4	L416 C417 C418 L423 K424 V432 N436 F571	L416-Y420 PolarHBondContact O-N 2.99Å; C417-Y420 PolarHBondContact O-N 3.38Å; C418-Y420 VanDerWaalsContact C-N 3.34Å; Y420-L423 PolarHBondContact O-N 3.4Å; Y420-K424 HydrophobicContact CE1-CD 4.45Å; Y420-K424 WeakPolarHBondContact O-CB 3.34Å; Y420-K424 PolarHBondContact O-N 2.94Å; Y420-V432 HydrophobicContact CE2-CG1 3.9Å; Y420-N436 HydrophobicContact CE2-CB 4.38Å; Y420-F571 HydrophobicContact CD1-CE2 4.27Å; Y420-F571 HydrophobicContact CE1-CD2 4.18Å; Y420-F571 AromaticContact CE1-CE2 3.76Å; Y420-F571 HydrophobicContact CE1-CE2 3.76Å; Y420-F571 AromaticContact CZ-CE2 3.95Å
421	I	69.9	Low	65.4	Low	86 Å²	86	90.9 Å²	90.9	44%	0.441	47%	0.467	S	S	.	.	H	α-helix	trans	-60.4	-48.8	175.8	-67	168	0	0	0	110	C417 C418 L423 K424 V425	C417-I421 WeakPolarHBondContact O-CG1 3.46Å; C417-I421 PolarHBondContact O-N 3.11Å; C418-I421 PolarHBondContact O-N 2.96Å; I421-L423 PolarHBondContact O-N 3.19Å; I421-K424 PolarHBondContact O-N 3.37Å; I421-V425 HydrophobicContact CG2-CG2 4.5Å; I421-V425 WeakPolarHBondContact O-CG2 2.94Å; I421-V425 PolarHBondContact O-N 3.01Å
422	K	73.3	Confident	65.2	Low	157 Å²	157	85.1 Å²	85.1	68%	0.683	44%	0.438	S	S	*	.	H	α-helix	trans	-56.9	-40.8	176.8	-173	175.9	-179.1	176.9	0	111.4	C418 S419 T426	C418-K422 WeakPolarHBondContact O-CB 3.39Å; C418-K422 PolarHBondContact O-N 3.46Å; S419-K422 PolarHBondContact O-N 3.14Å; K422-T426 WeakPolarHBondContact O-CB 3.06Å; K422-T426 WeakPolarHBondContact O-CG2 3.39Å; K422-T426 PolarHBondContact O-N 2.91Å; K422-T426 VanDerWaalsContact O-N 3.15Å; K422-T426 PolarHBondContact O-OG1 3.41Å
423	L	66.9	Low	64.9	Low	35 Å²	35	84.5 Å²	84.5	18%	0.183	44%	0.438	C	S	.	.	H	α-helix	trans	-69.4	-41.6	179.1	-159.7	108.7	0	0	0	112.5	S419 Y420 I421 V425 T426 K427 I435	S419-L423 VanDerWaalsContact O-CB 3.29Å; S419-L423 WeakPolarHBondContact O-CB 3.22Å; S419-L423 PolarHBondContact O-N 2.93Å; Y420-L423 PolarHBondContact O-N 3.4Å; I421-L423 PolarHBondContact O-N 3.19Å; L423-V425 VanDerWaalsContact C-N 3.28Å; L423-V425 PolarHBondContact O-N 3.49Å; L423-T426 WeakPolarHBondContact CA-OG1 3.4Å; L423-T426 PolarHBondContact O-N 2.99Å; L423-T426 VanDerWaalsContact O-N 3.14Å; L423-T426 PolarHBondContact O-OG1 3.43Å; L423-K427 HydrophobicContact CD1-CD 4.3Å; L423-K427 HydrophobicContact CG-CD 4.36Å; L423-K427 PolarHBondContact O-N 3.41Å; L423-I435 HydrophobicContact CD1-CD1 4.46Å; L423-I435 HydrophobicContact CD2-CD1 3.62Å; L423-I435 HydrophobicContact CD2-CG2 4.49Å
424	K	68	Low	64.8	Low	119 Å²	119	87.9 Å²	87.9	52%	0.517	46%	0.462	S	S	.	.	H	α-helix	trans	-65.5	-32.9	177.3	-168	178.1	-179	-178.6	0	112.1	Y420 I421	Y420-K424 HydrophobicContact CE1-CD 4.45Å; Y420-K424 WeakPolarHBondContact O-CB 3.34Å; Y420-K424 PolarHBondContact O-N 2.94Å; I421-K424 PolarHBondContact O-N 3.37Å
425	V	71.8	Confident	64.6	Low	120 Å²	120	89.4 Å²	89.4	73%	0.727	47%	0.468	S	S	*	.	H	α-helix	trans	-72.4	-29.9	173.7	173.8	0	0	0	0	111.8	I421 L423	I421-V425 HydrophobicContact CG2-CG2 4.5Å; I421-V425 WeakPolarHBondContact O-CG2 2.94Å; I421-V425 PolarHBondContact O-N 3.01Å; L423-V425 VanDerWaalsContact C-N 3.28Å; L423-V425 PolarHBondContact O-N 3.49Å
426	T	69.7	Low	64.4	Low	94 Å²	94	84.9 Å²	84.9	58%	0.577	45%	0.445	S	S	*	.	H	α-helix	trans	-103	-14.8	-171.9	46.9	0	0	0	0	115.9	K422 L423	K422-T426 WeakPolarHBondContact O-CB 3.06Å; K422-T426 WeakPolarHBondContact O-CG2 3.39Å; K422-T426 PolarHBondContact O-N 2.91Å; K422-T426 VanDerWaalsContact O-N 3.15Å; K422-T426 PolarHBondContact O-OG1 3.41Å; L423-T426 WeakPolarHBondContact CA-OG1 3.4Å; L423-T426 PolarHBondContact O-N 2.99Å; L423-T426 VanDerWaalsContact O-N 3.14Å; L423-T426 PolarHBondContact O-OG1 3.43Å
427	K	60.8	Low	64.2	Low	110 Å²	110	90.3 Å²	90.3	48%	0.478	47%	0.469	S	S	.	.	S	Bend	trans	-135.9	150.5	-170.4	-74	-174.5	171.7	169.6	0	115	L423 K431	L423-K427 HydrophobicContact CD1-CD 4.3Å; L423-K427 HydrophobicContact CG-CD 4.36Å; L423-K427 PolarHBondContact O-N 3.41Å; K427-K431 HydrophobicContact CD-CD 4.49Å
428	S	54.5	Low	64.2	Low	97 Å²	97	97.5 Å²	97.5	68%	0.678	50%	0.495	S	S	*	.			trans	-61.5	150.6	177.7	171.5	0	0	0	0	114.2	E430 K431	S428-E430 PolarHBondContact O-N 3.26Å; S428-K431 PolarHBondContact O-N 2.89Å
429	K	58.4	Low	64	Low	180 Å²	180	94.3 Å²	94.3	78%	0.783	47%	0.472	S	S	*	.	H	α-helix	trans	-46.7	-46	-168.5	-119.1	176.1	177.4	-179.4	0	115.2	K431 V432	K429-K431 PolarHBondContact O-N 3.04Å; K429-V432 VanDerWaalsContact O-CB 3.27Å; K429-V432 WeakPolarHBondContact O-CB 3.43Å; K429-V432 PolarHBondContact O-N 2.96Å; K429-V432 VanDerWaalsContact O-N 3.09Å
430	E	56.9	Low	63.7	Low	168 Å²	168	92.2 Å²	92.2	79%	0.785	46%	0.455	S	S	*	.	H	α-helix	trans	-66.9	-33.8	-172.1	-73.8	-179.1	151.3	0	0	114.1	S428 V432	S428-E430 PolarHBondContact O-N 3.26Å; E430-V432 PolarHBondContact O-N 3.19Å
431	K	57.7	Low	63.6	Low	131 Å²	131	94.3 Å²	94.3	57%	0.57	47%	0.473	S	S	*	.	H	α-helix	trans	-72.5	-18.9	178.2	-136.3	168	-170.5	161.5	0	111.7	K427 S428 K429 I435	K427-K431 HydrophobicContact CD-CD 4.49Å; S428-K431 PolarHBondContact O-N 2.89Å; K429-K431 PolarHBondContact O-N 3.04Å; K431-I435 WeakPolarHBondContact O-CD1 3.33Å; K431-I435 WeakPolarHBondContact O-CG1 3.32Å
432	V	60.3	Low	63.4	Low	12 Å²	12	96.7 Å²	96.7	7%	0.073	48%	0.477	C	S	.	.	H	α-helix	trans	-74.2	-38.9	-178.5	-176.7	0	0	0	0	111	Y420 K429 E430 I435 N436	Y420-V432 HydrophobicContact CE2-CG1 3.9Å; K429-V432 VanDerWaalsContact O-CB 3.27Å; K429-V432 WeakPolarHBondContact O-CB 3.43Å; K429-V432 PolarHBondContact O-N 2.96Å; K429-V432 VanDerWaalsContact O-N 3.09Å; E430-V432 PolarHBondContact O-N 3.19Å; V432-I435 PolarHBondContact O-N 3.44Å; V432-N436 VanDerWaalsContact O-CB 3.27Å; V432-N436 WeakPolarHBondContact O-CB 3.47Å; V432-N436 PolarHBondContact O-N 3.06Å
433	D	60.5	Low	62.9	Low	104 Å²	104	89.4 Å²	89.4	56%	0.556	45%	0.446	S	S	*	.	H	α-helix	trans	-69.6	-44.5	-172.1	-68.1	-24	0	0	0	113.3	I435 N436 H437	D433-I435 VanDerWaalsContact C-N 3.27Å; D433-I435 PolarHBondContact O-N 3.35Å; D433-N436 WeakPolarHBondContact O-CB 3.3Å; D433-N436 PolarHBondContact O-N 2.97Å; D433-H437 PolarHBondContact O-N 3.36Å; D433-H437 VanDerWaalsContact O-N 3.12Å
434	S	61.8	Low	62.7	Low	77 Å²	77	92.4 Å²	92.4	54%	0.538	46%	0.46	S	S	.	.	H	α-helix	trans	-63.4	-34.3	175.9	65.8	0	0	0	0	112.6	R438	S434-R438 PolarHBondContact O-N 3.16Å
435	I	59.2	Low	62.5	Low	55 Å²	55	92.3 Å²	92.3	28%	0.282	46%	0.462	S	S	.	.	H	α-helix	trans	-76.6	-36.8	176.6	-66.3	173.5	0	0	0	110.5	L423 K431 V432 D433 H437 R438 F439	L423-I435 HydrophobicContact CD1-CD1 4.46Å; L423-I435 HydrophobicContact CD2-CD1 3.62Å; L423-I435 HydrophobicContact CD2-CG2 4.49Å; K431-I435 WeakPolarHBondContact O-CD1 3.33Å; K431-I435 WeakPolarHBondContact O-CG1 3.32Å; V432-I435 PolarHBondContact O-N 3.44Å; D433-I435 VanDerWaalsContact C-N 3.27Å; D433-I435 PolarHBondContact O-N 3.35Å; I435-H437 VanDerWaalsContact C-N 3.32Å; I435-H437 PolarHBondContact O-N 3.19Å; I435-R438 PolarHBondContact O-N 2.83Å; I435-F439 VanDerWaalsContact O-CB 3.26Å; I435-F439 WeakPolarHBondContact O-CB 3.31Å; I435-F439 PolarHBondContact O-N 2.89Å
436	N	64.2	Low	62	Low	21 Å²	21	87.6 Å²	87.6	11%	0.112	43%	0.434	C	S	.	.	H	α-helix	trans	-55.4	-48.8	175.4	-170.3	26.9	0	0	0	110.1	Y420 V432 D433 R438 F439 I440 F571	Y420-N436 HydrophobicContact CE2-CB 4.38Å; V432-N436 VanDerWaalsContact O-CB 3.27Å; V432-N436 WeakPolarHBondContact O-CB 3.47Å; V432-N436 PolarHBondContact O-N 3.06Å; D433-N436 WeakPolarHBondContact O-CB 3.3Å; D433-N436 PolarHBondContact O-N 2.97Å; N436-R438 PolarHBondContact O-N 3.33Å; N436-F439 WeakPolarHBondContact O-CB 3.5Å; N436-F439 PolarHBondContact O-N 3.09Å; N436-I440 WeakPolarHBondContact O-CB 3.43Å; N436-I440 WeakPolarHBondContact O-CD1 3.49Å; N436-I440 WeakPolarHBondContact O-CG1 3.21Å; N436-I440 PolarHBondContact O-N 2.87Å; N436-F571 VanDerWaalsContact OD1-CE2 3.31Å; N436-F571 WeakPolarHBondContact OD1-CE2 3.25Å; N436-F571 WeakPolarHBondContact OD1-CZ 3.31Å
437	H	63.1	Low	61.5	Low	146 Å²	146	85.8 Å²	85.8	68%	0.676	42%	0.42	S	S	*	.	H	α-helix	trans	-61.2	-43.8	177.5	-124.2	-67	0	0	0	113.2	D433 I435 I440 S441	D433-H437 PolarHBondContact O-N 3.36Å; D433-H437 VanDerWaalsContact O-N 3.12Å; I435-H437 VanDerWaalsContact C-N 3.32Å; I435-H437 PolarHBondContact O-N 3.19Å; H437-I440 PolarHBondContact O-N 3.07Å; H437-S441 PolarHBondContact O-N 3.12Å
438	R	66.1	Low	61.3	Low	162 Å²	162	85 Å²	85	61%	0.611	42%	0.424	S	S	*	.	H	α-helix	trans	-65.8	-39.2	177.6	-170.9	-177.1	-64.2	176.8	-0.3	111.9	S434 I435 N436 R442	S434-R438 PolarHBondContact O-N 3.16Å; I435-R438 PolarHBondContact O-N 2.83Å; N436-R438 PolarHBondContact O-N 3.33Å; R438-R442 WeakPolarHBondContact O-CG 3.45Å; R438-R442 PolarHBondContact O-N 3.2Å; R438-R442 VanDerWaalsContact O-N 3.16Å
439	F	64.5	Low	61.4	Low	7 Å²	7	85.3 Å²	85.3	3%	0.031	42%	0.417	C	S	.	.	H	α-helix	trans	-62.9	-49.4	175.3	178.8	-79.7	0	0	0	110.8	L416 C417 I435 N436 S441 R442 A443 F571	L416-F439 HydrophobicContact CB-CD2 4.05Å; L416-F439 HydrophobicContact CB-CE2 3.5Å; L416-F439 VanDerWaalsContact CB-CE2 3.5Å; L416-F439 HydrophobicContact CB-CZ 4.25Å; L416-F439 HydrophobicContact CD2-CD2 3.69Å; L416-F439 HydrophobicContact CD2-CE2 4.05Å; L416-F439 HydrophobicContact CG-CD2 4.45Å; L416-F439 HydrophobicContact CG-CE2 4.36Å; L416-F439 WeakPolarHBondContact O-CE2 3.46Å; C417-F439 HydrophobicContact CB-CZ 4.36Å; I435-F439 VanDerWaalsContact O-CB 3.26Å; I435-F439 WeakPolarHBondContact O-CB 3.31Å; I435-F439 PolarHBondContact O-N 2.89Å; N436-F439 WeakPolarHBondContact O-CB 3.5Å; N436-F439 PolarHBondContact O-N 3.09Å; F439-S441 VanDerWaalsContact C-N 3.34Å; F439-S441 PolarHBondContact O-N 3.49Å; F439-R442 PolarHBondContact O-N 3.48Å; F439-A443 HydrophobicContact CD1-CB 4.29Å; F439-A443 HydrophobicContact CE1-CB 4.04Å; F439-A443 WeakPolarHBondContact O-CB 3.3Å; F439-A443 PolarHBondContact O-N 3.08Å; F439-F571 HydrophobicContact CD1-CD1 4.36Å; F439-F571 AromaticContact CD1-CE1 3.42Å; F439-F571 HydrophobicContact CD1-CE1 3.42Å; F439-F571 VanDerWaalsContact CD1-CE1 3.42Å; F439-F571 HydrophobicContact CD1-CE2 4.44Å; F439-F571 AromaticContact CD1-CZ 3.45Å; F439-F571 HydrophobicContact CD1-CZ 3.45Å; F439-F571 VanDerWaalsContact CD1-CZ 3.45Å; F439-F571 AromaticContact CE1-CD1 3.89Å; F439-F571 HydrophobicContact CE1-CD1 3.89Å; F439-F571 AromaticContact CE1-CE1 3.39Å; F439-F571 HydrophobicContact CE1-CE1 3.39Å; F439-F571 HydrophobicContact CE1-CE2 4.48Å; F439-F571 AromaticContact CE1-CZ 3.71Å; F439-F571 HydrophobicContact CE1-CZ 3.71Å; F439-F571 HydrophobicContact CG-CZ 4.39Å
440	I	62.6	Low	61.4	Low	28 Å²	28	79.3 Å²	79.3	14%	0.144	39%	0.392	C	S	.	.	H	α-helix	trans	-57.3	-49.1	179.9	-69.3	161.4	0	0	0	110.4	N436 H437 R442 A443 M444 F571 N575	N436-I440 WeakPolarHBondContact O-CB 3.43Å; N436-I440 WeakPolarHBondContact O-CD1 3.49Å; N436-I440 WeakPolarHBondContact O-CG1 3.21Å; N436-I440 PolarHBondContact O-N 2.87Å; H437-I440 PolarHBondContact O-N 3.07Å; I440-R442 VanDerWaalsContact C-N 3.32Å; I440-R442 PolarHBondContact O-N 2.97Å; I440-A443 PolarHBondContact O-N 3.42Å; I440-M444 HydrophobicContact CG2-CE 3.72Å; I440-M444 HydrophobicContact CG2-CG 4.29Å; I440-M444 HydrophobicContact CG2-SD 4.08Å; I440-M444 WeakPolarHBondContact O-CB 3.4Å; I440-M444 WeakPolarHBondContact O-CG 3.47Å; I440-M444 PolarHBondContact O-N 3.02Å; I440-F571 HydrophobicContact CG1-CE1 3.75Å; I440-F571 HydrophobicContact CG1-CZ 3.89Å; I440-N575 HydrophobicContact CD1-CB 4.38Å; I440-N575 VanDerWaalsContact CD1-ND2 3.3Å; I440-N575 WeakPolarHBondContact CD1-ND2 3.35Å; I440-N575 WeakPolarHBondContact CG1-ND2 3.36Å
441	S	65.7	Low	61.3	Low	71 Å²	71	75 Å²	75	50%	0.497	38%	0.38	S	S	.	.	H	α-helix	trans	-55.8	-47.8	177.7	174	0	0	0	0	111.2	H437 F439 Q445	H437-S441 PolarHBondContact O-N 3.12Å; F439-S441 VanDerWaalsContact C-N 3.34Å; F439-S441 PolarHBondContact O-N 3.49Å; S441-Q445 WeakPolarHBondContact O-CB 2.93Å; S441-Q445 PolarHBondContact O-N 3.27Å
442	R	65.1	Low	61	Low	136 Å²	136	71.6 Å²	71.6	51%	0.513	38%	0.376	S	S	.	.	H	α-helix	trans	-68.4	-39.3	178.9	-71.9	-178.1	177.6	-173.2	-1.6	113.3	R438 F439 I440 Q445 S446	R438-R442 WeakPolarHBondContact O-CG 3.45Å; R438-R442 PolarHBondContact O-N 3.2Å; R438-R442 VanDerWaalsContact O-N 3.16Å; F439-R442 PolarHBondContact O-N 3.48Å; I440-R442 VanDerWaalsContact C-N 3.32Å; I440-R442 PolarHBondContact O-N 2.97Å; R442-Q445 PolarHBondContact O-N 3.26Å; R442-S446 WeakPolarHBondContact O-CB 3.45Å; R442-S446 PolarHBondContact O-N 3.45Å
443	A	63.4	Low	60.6	Low	4 Å²	4	79 Å²	79	3%	0.033	41%	0.408	C	S	.	.	H	α-helix	trans	-65.7	-49.3	178.4	0	0	0	0	0	110.9	F439 I440 Q445 S446 M447	F439-A443 HydrophobicContact CD1-CB 4.29Å; F439-A443 HydrophobicContact CE1-CB 4.04Å; F439-A443 WeakPolarHBondContact O-CB 3.3Å; F439-A443 PolarHBondContact O-N 3.08Å; I440-A443 PolarHBondContact O-N 3.42Å; A443-Q445 VanDerWaalsContact C-N 3.35Å; A443-Q445 PolarHBondContact O-N 3.41Å; A443-S446 PolarHBondContact O-N 2.66Å; A443-S446 PolarHBondContact O-OG 2.94Å; A443-M447 PolarHBondContact O-N 3.32Å; A443-M447 VanDerWaalsContact O-N 3.12Å
444	M	62.9	Low	60.2	Low	99 Å²	99	78.4 Å²	78.4	49%	0.488	40%	0.398	S	S	.	.	H	α-helix	trans	-59.5	-45.1	174.2	-73.8	-171.7	-177.8	0	0	111.3	I440 S446 M447 V448	I440-M444 HydrophobicContact CG2-CE 3.72Å; I440-M444 HydrophobicContact CG2-CG 4.29Å; I440-M444 HydrophobicContact CG2-SD 4.08Å; I440-M444 WeakPolarHBondContact O-CB 3.4Å; I440-M444 WeakPolarHBondContact O-CG 3.47Å; I440-M444 PolarHBondContact O-N 3.02Å; M444-S446 VanDerWaalsContact C-N 3.33Å; M444-S446 PolarHBondContact O-N 3.43Å; M444-M447 PolarHBondContact O-N 3.43Å; M444-M447 VanDerWaalsContact O-N 3.15Å; M444-V448 WeakPolarHBondContact O-CG2 3.45Å; M444-V448 PolarHBondContact O-N 2.92Å
445	Q	63.2	Low	59.4	Low	117 Å²	117	80 Å²	80	55%	0.547	41%	0.408	S	S	.	.	H	α-helix	trans	-61.5	-41.4	178.7	-165	177.1	16.2	0	0	111.6	S441 R442 A443 M447 V448 I449	S441-Q445 WeakPolarHBondContact O-CB 2.93Å; S441-Q445 PolarHBondContact O-N 3.27Å; R442-Q445 PolarHBondContact O-N 3.26Å; A443-Q445 VanDerWaalsContact C-N 3.35Å; A443-Q445 PolarHBondContact O-N 3.41Å; Q445-M447 VanDerWaalsContact C-N 3.3Å; Q445-M447 PolarHBondContact O-N 2.81Å; Q445-V448 PolarHBondContact O-N 3.45Å; Q445-I449 HydrophobicContact CG-CD1 3.94Å; Q445-I449 WeakPolarHBondContact O-CB 3.41Å; Q445-I449 WeakPolarHBondContact O-CD1 3.49Å; Q445-I449 WeakPolarHBondContact O-CG1 3.32Å; Q445-I449 PolarHBondContact O-N 2.82Å
446	S	62.3	Low	59	Low	21 Å²	21	79 Å²	79	15%	0.147	41%	0.413	C	S	.	.	H	α-helix	trans	-61.5	-38.3	175.5	80	0	0	0	0	112.6	T413 R442 A443 M444 Q450	T413-S446 PolarHBondContact OG1-OG 2.84Å; R442-S446 WeakPolarHBondContact O-CB 3.45Å; R442-S446 PolarHBondContact O-N 3.45Å; A443-S446 PolarHBondContact O-N 2.66Å; A443-S446 PolarHBondContact O-OG 2.94Å; M444-S446 VanDerWaalsContact C-N 3.33Å; M444-S446 PolarHBondContact O-N 3.43Å; S446-Q450 WeakPolarHBondContact O-CG 3.42Å; S446-Q450 PolarHBondContact O-N 3.33Å
447	M	58.3	Low	58	Low	55 Å²	55	83.3 Å²	83.3	27%	0.271	44%	0.444	S	S	.	.	H	α-helix	trans	-72	-41.8	-179.6	-171.2	-176.8	-97	0	0	111.5	F408 A443 M444 Q445 Q450 S451 L572	F408-M447 HydrophobicContact CD1-CE 3.29Å; F408-M447 HydrophobicContact CE1-CE 3.72Å; F408-M447 HydrophobicContact CG-CE 4.24Å; A443-M447 PolarHBondContact O-N 3.32Å; A443-M447 VanDerWaalsContact O-N 3.12Å; M444-M447 PolarHBondContact O-N 3.43Å; M444-M447 VanDerWaalsContact O-N 3.15Å; Q445-M447 VanDerWaalsContact C-N 3.3Å; Q445-M447 PolarHBondContact O-N 2.81Å; M447-Q450 PolarHBondContact O-N 3.28Å; M447-S451 WeakPolarHBondContact O-CB 3.39Å; M447-S451 PolarHBondContact O-N 2.97Å; M447-S451 PolarHBondContact O-OG 3.11Å; M447-L572 HydrophobicContact CE-CD1 4.46Å
448	V	57.7	Low	57.7	Low	93 Å²	93	81.5 Å²	81.5	56%	0.564	44%	0.439	S	S	*	.	H	α-helix	trans	-64.3	-41.9	175.4	174.6	0	0	0	0	110.9	M444 Q445 Q450 S451 A452	M444-V448 WeakPolarHBondContact O-CG2 3.45Å; M444-V448 PolarHBondContact O-N 2.92Å; Q445-V448 PolarHBondContact O-N 3.45Å; V448-Q450 VanDerWaalsContact C-N 3.34Å; V448-Q450 PolarHBondContact O-N 2.84Å; V448-S451 PolarHBondContact O-N 2.74Å; V448-S451 PolarHBondContact O-OG 3.14Å; V448-A452 WeakPolarHBondContact O-CB 3.49Å; V448-A452 PolarHBondContact O-N 2.97Å; V448-A452 VanDerWaalsContact O-N 3.08Å
449	I	54.9	Low	57.4	Low	104 Å²	104	75.7 Å²	75.7	53%	0.533	42%	0.423	S	S	.	.	H	α-helix	trans	-63.2	-41.8	177	-68.5	165.8	0	0	0	110.8	Q445 K453	Q445-I449 HydrophobicContact CG-CD1 3.94Å; Q445-I449 WeakPolarHBondContact O-CB 3.41Å; Q445-I449 WeakPolarHBondContact O-CD1 3.49Å; Q445-I449 WeakPolarHBondContact O-CG1 3.32Å; Q445-I449 PolarHBondContact O-N 2.82Å; I449-K453 PolarHBondContact O-N 2.99Å
450	Q	58.3	Low	57.5	Low	54 Å²	54	82.3 Å²	82.3	25%	0.252	46%	0.456	S	S	.	.	H	α-helix	trans	-73	-36.2	179.7	-77.8	179.9	-11.1	0	0	113.4	N406 S446 M447 V448 A452 K453 R454	N406-Q450 PolarHBondContact O-OE1 3.33Å; S446-Q450 WeakPolarHBondContact O-CG 3.42Å; S446-Q450 PolarHBondContact O-N 3.33Å; M447-Q450 PolarHBondContact O-N 3.28Å; V448-Q450 VanDerWaalsContact C-N 3.34Å; V448-Q450 PolarHBondContact O-N 2.84Å; Q450-A452 VanDerWaalsContact C-N 3.32Å; Q450-K453 PolarHBondContact O-N 2.95Å; Q450-R454 PolarHBondContact O-N 3.12Å
451	S	56.3	Low	58	Low	77 Å²	77	88.5 Å²	88.5	54%	0.538	48%	0.482	S	S	.	.	H	α-helix	trans	-64	-40	174.8	70.4	0	0	0	0	111.1	M447 V448 R454	M447-S451 WeakPolarHBondContact O-CB 3.39Å; M447-S451 PolarHBondContact O-N 2.97Å; M447-S451 PolarHBondContact O-OG 3.11Å; V448-S451 PolarHBondContact O-N 2.74Å; V448-S451 PolarHBondContact O-OG 3.14Å; S451-R454 PolarHBondContact O-N 3.27Å
452	A	50.8	Low	58.4	Low	60 Å²	60	87.9 Å²	87.9	50%	0.496	48%	0.478	S	S	.	.	H	α-helix	trans	-64.3	-40.3	172.9	0	0	0	0	0	112.4	V448 Q450 R454 S455	V448-A452 WeakPolarHBondContact O-CB 3.49Å; V448-A452 PolarHBondContact O-N 2.97Å; V448-A452 VanDerWaalsContact O-N 3.08Å; Q450-A452 VanDerWaalsContact C-N 3.32Å; A452-R454 PolarHBondContact O-N 2.81Å; A452-S455 PolarHBondContact O-N 3.3Å; A452-S455 PolarHBondContact O-OG 2.96Å
453	K	52.8	Low	58.6	Low	168 Å²	168	82.2 Å²	82.2	73%	0.73	46%	0.457	S	S	*	.	H	α-helix	trans	-63.2	-25.7	176.9	-163.2	171.5	-177.1	176.4	0	112.9	I449 Q450	I449-K453 PolarHBondContact O-N 2.99Å; Q450-K453 PolarHBondContact O-N 2.95Å
454	R	51	Low	59.3	Low	92 Å²	92	85.1 Å²	85.1	35%	0.347	48%	0.475	S	S	.	.	H	α-helix	trans	-80	-20.2	179.9	-110.9	-177.9	-177.1	153.9	3.1	114.7	N403 T407 Q450 S451 A452 G456	N403-R454 PolarHBondContact O-NH2 3.21Å; N403-R454 PolarHBondContact OD1-NH2 2.76Å; T407-R454 PolarHBondContact OG1-NH1 3.27Å; T407-R454 PolarHBondContact OG1-NH2 3.46Å; Q450-R454 PolarHBondContact O-N 3.12Å; S451-R454 PolarHBondContact O-N 3.27Å; A452-R454 PolarHBondContact O-N 2.81Å; R454-G456 PolarHBondContact O-N 2.85Å
455	S	45.7	Very low	60.3	Low	109 Å²	109	86.9 Å²	86.9	76%	0.762	48%	0.48	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77	-9	175.9	60.5	0	0	0	0	113.2	A452	A452-S455 PolarHBondContact O-N 3.3Å; A452-S455 PolarHBondContact O-OG 2.96Å
456	G	49.4	Very low	61.2	Low	36 Å²	36	82 Å²	82	37%	0.371	46%	0.458	S	S	.	.	S	Bend	trans	-78.2	159.1	176	0	0	0	0	0	114.6	R454 N458 S459	R454-G456 PolarHBondContact O-N 2.85Å; G456-N458 PolarHBondContact O-N 2.91Å; G456-S459 WeakPolarHBondContact O-CB 3.39Å; G456-S459 PolarHBondContact O-N 3.4Å
457	S	45.2	Very low	62.3	Low	110 Å²	110	81.9 Å²	81.9	77%	0.769	46%	0.458	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.4	-22.1	179.4	67.5	0	0	0	0	114.6	S459 M460	S457-S459 PolarHBondContact O-N 3.11Å; S457-M460 PolarHBondContact O-N 3.48Å
458	N	54.9	Low	63.7	Low	109 Å²	109	82.9 Å²	82.9	58%	0.583	46%	0.464	S	S	*	.	H	α-helix	trans	-61.9	-18.9	175.6	-72.9	-22.4	0	0	0	114.1	G456 M460 K461 S462	G456-N458 PolarHBondContact O-N 2.91Å; N458-M460 PolarHBondContact O-N 3.46Å; N458-K461 PolarHBondContact O-N 3.14Å; N458-S462 PolarHBondContact O-N 3.01Å
459	S	60.5	Low	65.2	Low	39 Å²	39	81.4 Å²	81.4	27%	0.273	45%	0.453	S	S	.	.	H	α-helix	trans	-56.1	-49.2	175.6	178.4	0	0	0	0	111.3	G456 S457 K461 S462 I463	G456-S459 WeakPolarHBondContact O-CB 3.39Å; G456-S459 PolarHBondContact O-N 3.4Å; S457-S459 PolarHBondContact O-N 3.11Å; S459-K461 VanDerWaalsContact C-N 3.34Å; S459-K461 PolarHBondContact O-N 2.93Å; S459-S462 WeakPolarHBondContact O-CB 3.21Å; S459-S462 PolarHBondContact O-N 3.4Å; S459-S462 VanDerWaalsContact O-N 3.09Å; S459-I463 VanDerWaalsContact O-CG1 3.3Å; S459-I463 WeakPolarHBondContact O-CG1 3.3Å; S459-I463 PolarHBondContact O-N 3.37Å; S459-I463 VanDerWaalsContact O-N 3.1Å
460	M	66.5	Low	67	Low	146 Å²	146	76.5 Å²	76.5	72%	0.719	43%	0.427	S	S	*	.	H	α-helix	trans	-63.3	-37.7	-175.1	-163.1	169.8	112.5	0	0	112.8	S457 N458 I463 V464	S457-M460 PolarHBondContact O-N 3.48Å; N458-M460 PolarHBondContact O-N 3.46Å; M460-I463 PolarHBondContact O-N 2.92Å; M460-V464 WeakPolarHBondContact O-CG2 3.29Å; M460-V464 PolarHBondContact O-N 3.28Å; M460-V464 VanDerWaalsContact O-N 3.08Å
461	K	74	Confident	68.6	Low	158 Å²	158	76.4 Å²	76.4	69%	0.687	43%	0.428	S	S	*	.	H	α-helix	trans	-62.7	-43.5	174.8	-71.5	-175.1	178.6	-179.7	0	111.6	N458 S459 I463 V464 F465	N458-K461 PolarHBondContact O-N 3.14Å; S459-K461 VanDerWaalsContact C-N 3.34Å; S459-K461 PolarHBondContact O-N 2.93Å; K461-I463 VanDerWaalsContact C-N 3.28Å; K461-I463 PolarHBondContact O-N 2.78Å; K461-V464 PolarHBondContact O-N 3.29Å; K461-F465 WeakPolarHBondContact O-CB 3.32Å; K461-F465 PolarHBondContact O-N 3.27Å
462	S	72.6	Confident	70.3	Confident	59 Å²	59	77.1 Å²	77.1	41%	0.413	43%	0.425	S	S	.	.	H	α-helix	trans	-62.1	-36.1	177.6	-171.4	0	0	0	0	112.4	N458 S459 S466	N458-S462 PolarHBondContact O-N 3.01Å; S459-S462 WeakPolarHBondContact O-CB 3.21Å; S459-S462 PolarHBondContact O-N 3.4Å; S459-S462 VanDerWaalsContact O-N 3.09Å; S462-S466 VanDerWaalsContact O-CB 3.28Å; S462-S466 WeakPolarHBondContact O-CB 3.35Å; S462-S466 PolarHBondContact O-N 2.66Å; S462-S466 PolarHBondContact O-OG 2.84Å
463	I	70.7	Confident	72.3	Confident	16 Å²	16	77 Å²	77	8%	0.082	42%	0.415	C	S	.	.	H	α-helix	trans	-68.4	-48.8	178.5	-61	-179.6	0	0	0	110.9	M1 L342 Q345 S459 M460 K461 F465 S466 S467	M1-I463 HydrophobicContact SD-CG2 4.41Å; L342-I463 HydrophobicContact CB-CD1 4.2Å; L342-I463 HydrophobicContact CD1-CB 4.26Å; L342-I463 HydrophobicContact CD1-CD1 3.86Å; L342-I463 HydrophobicContact CD1-CG1 3.5Å; L342-I463 HydrophobicContact CD1-CG2 4.1Å; L342-I463 HydrophobicContact CD2-CG1 4.14Å; L342-I463 HydrophobicContact CG-CD1 4.4Å; L342-I463 HydrophobicContact CG-CG1 4.27Å; Q345-I463 VanDerWaalsContact OE1-CG2 3.22Å; S459-I463 VanDerWaalsContact O-CG1 3.3Å; S459-I463 WeakPolarHBondContact O-CG1 3.3Å; S459-I463 PolarHBondContact O-N 3.37Å; S459-I463 VanDerWaalsContact O-N 3.1Å; M460-I463 PolarHBondContact O-N 2.92Å; K461-I463 VanDerWaalsContact C-N 3.28Å; K461-I463 PolarHBondContact O-N 2.78Å; I463-F465 VanDerWaalsContact C-N 3.31Å; I463-F465 PolarHBondContact O-N 3.44Å; I463-S466 PolarHBondContact O-N 3.04Å; I463-S467 WeakPolarHBondContact O-CB 3.38Å; I463-S467 PolarHBondContact O-N 3Å; I463-S467 PolarHBondContact O-OG 3.01Å
464	V	78.4	Confident	74.4	Confident	65 Å²	65	69 Å²	69	39%	0.394	38%	0.381	S	S	.	.	H	α-helix	trans	-60.9	-45.3	178.7	171.9	0	0	0	0	109.6	M460 K461 S467 L468	M460-V464 WeakPolarHBondContact O-CG2 3.29Å; M460-V464 PolarHBondContact O-N 3.28Å; M460-V464 VanDerWaalsContact O-N 3.08Å; K461-V464 PolarHBondContact O-N 3.29Å; V464-S467 PolarHBondContact O-N 2.93Å; V464-L468 HydrophobicContact CG1-CD1 3.71Å; V464-L468 HydrophobicContact CG1-CG 4.3Å; V464-L468 WeakPolarHBondContact O-CB 3.42Å; V464-L468 VanDerWaalsContact O-CG 3.25Å; V464-L468 WeakPolarHBondContact O-CG 3.08Å; V464-L468 PolarHBondContact O-N 3.47Å
465	F	83.2	Confident	76.4	Confident	136 Å²	136	67.5 Å²	67.5	60%	0.596	38%	0.377	S	S	*	.	H	α-helix	trans	-59.9	-48	176.1	-177.4	-98.7	0	0	0	112.5	K461 I463 S467 L468 L469	K461-F465 WeakPolarHBondContact O-CB 3.32Å; K461-F465 PolarHBondContact O-N 3.27Å; I463-F465 VanDerWaalsContact C-N 3.31Å; I463-F465 PolarHBondContact O-N 3.44Å; F465-S467 VanDerWaalsContact C-N 3.33Å; F465-S467 PolarHBondContact O-N 2.97Å; F465-L468 PolarHBondContact O-N 3.21Å; F465-L469 WeakPolarHBondContact O-CB 3.45Å; F465-L469 PolarHBondContact O-N 3.47Å
466	S	82.7	Confident	78.8	Confident	14 Å²	14	66 Å²	66	10%	0.098	37%	0.365	C	S	.	.	H	α-helix	trans	-61.1	-41.5	178.6	-62.6	0	0	0	0	112.2	S462 I463 L469 S470	S462-S466 VanDerWaalsContact O-CB 3.28Å; S462-S466 WeakPolarHBondContact O-CB 3.35Å; S462-S466 PolarHBondContact O-N 2.66Å; S462-S466 PolarHBondContact O-OG 2.84Å; I463-S466 PolarHBondContact O-N 3.04Å; S466-L469 PolarHBondContact O-N 2.93Å; S466-S470 PolarHBondContact O-N 3.1Å; S466-S470 VanDerWaalsContact O-N 3.1Å; S466-S470 PolarHBondContact O-OG 3.33Å
467	S	85.1	Confident	80.8	Confident	20 Å²	20	67.4 Å²	67.4	14%	0.14	36%	0.362	C	S	.	.	H	α-helix	trans	-68.8	-42.3	178.1	-54.4	0	0	0	0	111.6	I463 V464 F465 L469 S470 I471	I463-S467 WeakPolarHBondContact O-CB 3.38Å; I463-S467 PolarHBondContact O-N 3Å; I463-S467 PolarHBondContact O-OG 3.01Å; V464-S467 PolarHBondContact O-N 2.93Å; F465-S467 VanDerWaalsContact C-N 3.33Å; F465-S467 PolarHBondContact O-N 2.97Å; S467-L469 VanDerWaalsContact C-N 3.33Å; S467-S470 PolarHBondContact O-N 3.29Å; S467-I471 WeakPolarHBondContact O-CD1 3.25Å; S467-I471 VanDerWaalsContact O-CG1 3.26Å; S467-I471 WeakPolarHBondContact O-CG1 3.3Å; S467-I471 PolarHBondContact O-N 3.11Å
468	L	87.7	Confident	83.2	Confident	76 Å²	76	62.2 Å²	62.2	40%	0.398	33%	0.325	S	S	.	.	H	α-helix	trans	-62.4	-42	175.3	-75.8	169.5	0	0	0	111	V464 F465 S470 I471 I472	V464-L468 HydrophobicContact CG1-CD1 3.71Å; V464-L468 HydrophobicContact CG1-CG 4.3Å; V464-L468 WeakPolarHBondContact O-CB 3.42Å; V464-L468 VanDerWaalsContact O-CG 3.25Å; V464-L468 WeakPolarHBondContact O-CG 3.08Å; V464-L468 PolarHBondContact O-N 3.47Å; F465-L468 PolarHBondContact O-N 3.21Å; L468-S470 PolarHBondContact O-N 2.95Å; L468-I471 PolarHBondContact O-N 3.44Å; L468-I472 HydrophobicContact CB-CD1 4.2Å; L468-I472 HydrophobicContact CD2-CD1 4.21Å; L468-I472 WeakPolarHBondContact O-CB 3.41Å; L468-I472 VanDerWaalsContact O-CG1 3.27Å; L468-I472 WeakPolarHBondContact O-CG1 3.03Å; L468-I472 PolarHBondContact O-N 3.33Å
469	L	89.6	Confident	85.1	Confident	62 Å²	62	60.8 Å²	60.8	33%	0.325	32%	0.316	S	S	.	.	H	α-helix	trans	-59.8	-47.2	177.1	-175.6	65.4	0	0	0	111.4	F465 S466 S467 I471 I472 L473	F465-L469 WeakPolarHBondContact O-CB 3.45Å; F465-L469 PolarHBondContact O-N 3.47Å; S466-L469 PolarHBondContact O-N 2.93Å; S467-L469 VanDerWaalsContact C-N 3.33Å; L469-I471 PolarHBondContact O-N 3.12Å; L469-I472 PolarHBondContact O-N 2.8Å; L469-L473 HydrophobicContact CD1-CB 4.19Å; L469-L473 HydrophobicContact CD1-CD2 4.33Å; L469-L473 WeakPolarHBondContact O-CB 3.47Å; L469-L473 PolarHBondContact O-N 3.43Å
470	S	91.3	Very high	86.6	Confident	0 Å²	0	61.1 Å²	61.1	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-64.7	-20.2	178.1	-59.3	0	0	0	0	114.7	C392 W396 T399 S466 S467 L468 P474	C392-S470 PolarHBondContact SG-O 2.93Å; W396-S470 VanDerWaalsContact CE2-CB 3.49Å; T399-S470 PolarHBondContact OG1-OG 3.09Å; S466-S470 PolarHBondContact O-N 3.1Å; S466-S470 VanDerWaalsContact O-N 3.1Å; S466-S470 PolarHBondContact O-OG 3.33Å; S467-S470 PolarHBondContact O-N 3.29Å; L468-S470 PolarHBondContact O-N 2.95Å; S470-P474 WeakPolarHBondContact O-CD 3.33Å; S470-P474 WeakPolarHBondContact O-CG 2.85Å
471	I	91.4	Very high	87.8	Confident	52 Å²	52	54.2 Å²	54.2	27%	0.267	28%	0.284	S	S	.	.	H	α-helix	trans	-93.9	-43.6	178.2	-66.6	166.9	0	0	0	110.9	S467 L468 L469 P474 F475	S467-I471 WeakPolarHBondContact O-CD1 3.25Å; S467-I471 VanDerWaalsContact O-CG1 3.26Å; S467-I471 WeakPolarHBondContact O-CG1 3.3Å; S467-I471 PolarHBondContact O-N 3.11Å; L468-I471 PolarHBondContact O-N 3.44Å; L469-I471 PolarHBondContact O-N 3.12Å; I471-P474 WeakPolarHBondContact O-CD 3.34Å; I471-F475 HydrophobicContact CG2-CE2 4.22Å; I471-F475 WeakPolarHBondContact O-CD2 3.43Å; I471-F475 VanDerWaalsContact O-CE2 3.31Å; I471-F475 WeakPolarHBondContact O-CE2 3.29Å
472	I	93.6	Very high	88.7	Confident	93 Å²	93	48 Å²	48	48%	0.477	26%	0.258	S	S	.	.	H	α-helix	trans	-81.7	-43.1	-172.1	-64.3	170.4	0	0	0	111.6	L468 L469 P474 F475 C476	L468-I472 HydrophobicContact CB-CD1 4.2Å; L468-I472 HydrophobicContact CD2-CD1 4.21Å; L468-I472 WeakPolarHBondContact O-CB 3.41Å; L468-I472 VanDerWaalsContact O-CG1 3.27Å; L468-I472 WeakPolarHBondContact O-CG1 3.03Å; L468-I472 PolarHBondContact O-N 3.33Å; L469-I472 PolarHBondContact O-N 2.8Å; I472-P474 VanDerWaalsContact C-CD 3.48Å; I472-F475 WeakPolarHBondContact O-CB 3.04Å; I472-F475 PolarHBondContact O-N 2.91Å; I472-C476 PolarHBondContact O-N 3.24Å
473	L	93.2	Very high	89.4	Confident	56 Å²	56	49.4 Å²	49.4	29%	0.293	26%	0.26	S	S	.	.	H	α-helix	trans	-59	-40.8	-174.8	-176.9	64.2	0	0	0	113.8	I395 L469 F475 C476 F477	I395-L473 HydrophobicContact CD1-CB 3.92Å; I395-L473 HydrophobicContact CD1-CD2 3.72Å; I395-L473 HydrophobicContact CD1-CG 3.77Å; I395-L473 HydrophobicContact CG1-CD2 4.13Å; I395-L473 HydrophobicContact CG2-CD2 4.26Å; L469-L473 HydrophobicContact CD1-CB 4.19Å; L469-L473 HydrophobicContact CD1-CD2 4.33Å; L469-L473 WeakPolarHBondContact O-CB 3.47Å; L469-L473 PolarHBondContact O-N 3.43Å; L473-F475 VanDerWaalsContact C-N 3.27Å; L473-F475 PolarHBondContact O-N 2.79Å; L473-C476 WeakPolarHBondContact O-CB 3.48Å; L473-C476 PolarHBondContact O-N 3.01Å; L473-C476 VanDerWaalsContact O-N 3.13Å; L473-F477 HydrophobicContact CD1-CE2 4.1Å; L473-F477 HydrophobicContact CG-CE2 4.34Å; L473-F477 WeakPolarHBondContact O-CD2 3.22Å
474	P	95.4	Very high	90.2	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-55.8	-39.8	173.3	-21.2	29.3	0	0	0	113	Y388 L391 C392 I395 S470 I471 I472 C476 F477 V478	Y388-P474 HydrophobicContact CD2-CB 3.64Å; Y388-P474 HydrophobicContact CD2-CG 4.46Å; Y388-P474 HydrophobicContact CE2-CB 3.72Å; Y388-P474 HydrophobicContact CE2-CG 4.11Å; L391-P474 HydrophobicContact CB-CB 3.96Å; C392-P474 HydrophobicContact CB-CG 4Å; I395-P474 HydrophobicContact CD1-CB 4.45Å; I395-P474 HydrophobicContact CD1-CG 3.68Å; S470-P474 WeakPolarHBondContact O-CD 3.33Å; S470-P474 WeakPolarHBondContact O-CG 2.85Å; I471-P474 WeakPolarHBondContact O-CD 3.34Å; I472-P474 VanDerWaalsContact C-CD 3.48Å; P474-C476 PolarHBondContact O-N 3.25Å; P474-F477 PolarHBondContact O-N 2.97Å; P474-V478 WeakPolarHBondContact O-CG2 3.24Å; P474-V478 PolarHBondContact O-N 2.77Å
475	F	94.5	Very high	90.6	Very high	62 Å²	62	47 Å²	47	27%	0.272	25%	0.245	S	C	.	.	H	α-helix	trans	-63	-29.9	179.6	-70	-58.5	0	0	0	112.8	F384 Y388 I471 I472 L473 F477 V478 I479	F384-F475 HydrophobicContact CE1-CE1 4.18Å; F384-F475 HydrophobicContact CE2-CD1 4.31Å; F384-F475 HydrophobicContact CE2-CE1 4.34Å; F384-F475 AromaticContact CZ-CD1 3.91Å; F384-F475 HydrophobicContact CZ-CD1 3.91Å; F384-F475 AromaticContact CZ-CE1 3.52Å; F384-F475 HydrophobicContact CZ-CE1 3.52Å; Y388-F475 AromaticContact CD2-CD1 3.76Å; Y388-F475 HydrophobicContact CD2-CD1 3.76Å; Y388-F475 AromaticContact CD2-CE1 3.46Å; Y388-F475 HydrophobicContact CD2-CE1 3.46Å; Y388-F475 VanDerWaalsContact CD2-CE1 3.46Å; Y388-F475 HydrophobicContact CD2-CE2 4.29Å; Y388-F475 HydrophobicContact CD2-CG 4.26Å; Y388-F475 AromaticContact CD2-CZ 3.78Å; Y388-F475 HydrophobicContact CD2-CZ 3.78Å; Y388-F475 HydrophobicContact CE1-CZ 4.48Å; Y388-F475 AromaticContact CE2-CD1 3.88Å; Y388-F475 HydrophobicContact CE2-CD1 3.88Å; Y388-F475 AromaticContact CE2-CD2 3.84Å; Y388-F475 HydrophobicContact CE2-CD2 3.84Å; Y388-F475 AromaticContact CE2-CE1 3.46Å; Y388-F475 HydrophobicContact CE2-CE1 3.46Å; Y388-F475 VanDerWaalsContact CE2-CE1 3.46Å; Y388-F475 AromaticContact CE2-CE2 3.44Å; Y388-F475 HydrophobicContact CE2-CE2 3.44Å; Y388-F475 VanDerWaalsContact CE2-CE2 3.44Å; Y388-F475 HydrophobicContact CE2-CG 4.04Å; Y388-F475 AromaticContact CE2-CZ 3.24Å; Y388-F475 HydrophobicContact CE2-CZ 3.24Å; Y388-F475 HydrophobicContact CG-CE1 4.23Å; Y388-F475 AromaticContact CZ-CE2 3.93Å; Y388-F475 AromaticContact CZ-CZ 3.66Å; I471-F475 HydrophobicContact CG2-CE2 4.22Å; I471-F475 WeakPolarHBondContact O-CD2 3.43Å; I471-F475 VanDerWaalsContact O-CE2 3.31Å; I471-F475 WeakPolarHBondContact O-CE2 3.29Å; I472-F475 WeakPolarHBondContact O-CB 3.04Å; I472-F475 PolarHBondContact O-N 2.91Å; L473-F475 VanDerWaalsContact C-N 3.27Å; L473-F475 PolarHBondContact O-N 2.79Å; F475-F477 PolarHBondContact O-N 2.73Å; F475-V478 PolarHBondContact O-N 2.87Å; F475-I479 HydrophobicContact CB-CD1 3.84Å; F475-I479 HydrophobicContact CB-CG1 4.23Å; F475-I479 HydrophobicContact CD1-CD1 4.26Å; F475-I479 HydrophobicContact CD1-CG1 4.33Å; F475-I479 HydrophobicContact CG-CD1 4.33Å; F475-I479 VanDerWaalsContact O-CB 3.3Å; F475-I479 WeakPolarHBondContact O-CB 3.18Å; F475-I479 WeakPolarHBondContact O-CG1 3Å; F475-I479 PolarHBondContact O-N 2.87Å
476	C	94.1	Very high	90.6	Very high	76 Å²	76	44.2 Å²	44.2	51%	0.514	23%	0.233	S	C	.	.	H	α-helix	trans	-63.2	-20.7	175.5	-59.7	0	0	0	0	113.2	I472 L473 P474 P480	I472-C476 PolarHBondContact O-N 3.24Å; L473-C476 WeakPolarHBondContact O-CB 3.48Å; L473-C476 PolarHBondContact O-N 3.01Å; L473-C476 VanDerWaalsContact O-N 3.13Å; P474-C476 PolarHBondContact O-N 3.25Å; C476-P480 VanDerWaalsContact O-CD 3.3Å; C476-P480 WeakPolarHBondContact O-CD 3.44Å; C476-P480 VanDerWaalsContact O-CG 3.27Å; C476-P480 WeakPolarHBondContact O-CG 3.33Å
477	F	93.1	Very high	90.2	Very high	67 Å²	67	51.3 Å²	51.3	29%	0.294	26%	0.262	S	S	.	.	H	α-helix	trans	-99.2	-43.2	174.6	-67	-87.5	0	0	0	111.8	L391 L473 P474 F475 A481 P550	L391-F477 HydrophobicContact CD1-CB 3.72Å; L391-F477 HydrophobicContact CD1-CG 4.33Å; L473-F477 HydrophobicContact CD1-CE2 4.1Å; L473-F477 HydrophobicContact CG-CE2 4.34Å; L473-F477 WeakPolarHBondContact O-CD2 3.22Å; P474-F477 PolarHBondContact O-N 2.97Å; F475-F477 PolarHBondContact O-N 2.73Å; F477-A481 WeakPolarHBondContact O-CB 3.07Å; F477-A481 PolarHBondContact O-N 2.82Å; F477-P550 HydrophobicContact CD1-CG 4.21Å; F477-P550 HydrophobicContact CE1-CB 4.42Å; F477-P550 HydrophobicContact CE1-CG 3.97Å
478	V	95	Very high	89.5	Confident	0 Å²	0	51.3 Å²	51.3	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-71	-44.8	-174.8	-177.1	0	0	0	0	111.8	F384 H387 L391 P474 F475 A481 I482	F384-V478 HydrophobicContact CB-CG1 4.43Å; F384-V478 HydrophobicContact CD2-CB 4.49Å; F384-V478 HydrophobicContact CD2-CG1 3.28Å; F384-V478 HydrophobicContact CE2-CG1 3.69Å; F384-V478 HydrophobicContact CG-CG1 3.97Å; H387-V478 HydrophobicContact CB-CG1 4.43Å; H387-V478 HydrophobicContact CB-CG2 4.19Å; L391-V478 HydrophobicContact CD1-CG2 4.09Å; P474-V478 WeakPolarHBondContact O-CG2 3.24Å; P474-V478 PolarHBondContact O-N 2.77Å; F475-V478 PolarHBondContact O-N 2.87Å; V478-A481 PolarHBondContact O-N 3.46Å; V478-I482 HydrophobicContact CG1-CG1 4.28Å; V478-I482 WeakPolarHBondContact O-CG1 3.25Å; V478-I482 PolarHBondContact O-N 3.13Å
479	I	94.4	Very high	88.5	Confident	79 Å²	79	50 Å²	50	41%	0.405	25%	0.252	S	S	.	.	H	α-helix	trans	-62.3	-49.7	-176.4	-66.3	174.9	0	0	0	111.1	F384 F475 A481 I482 I483	F384-I479 HydrophobicContact CE2-CG1 4.35Å; F475-I479 HydrophobicContact CB-CD1 3.84Å; F475-I479 HydrophobicContact CB-CG1 4.23Å; F475-I479 HydrophobicContact CD1-CD1 4.26Å; F475-I479 HydrophobicContact CD1-CG1 4.33Å; F475-I479 HydrophobicContact CG-CD1 4.33Å; F475-I479 VanDerWaalsContact O-CB 3.3Å; F475-I479 WeakPolarHBondContact O-CB 3.18Å; F475-I479 WeakPolarHBondContact O-CG1 3Å; F475-I479 PolarHBondContact O-N 2.87Å; I479-A481 VanDerWaalsContact C-N 3.33Å; I479-A481 PolarHBondContact O-N 3.27Å; I479-I482 PolarHBondContact O-N 2.99Å; I479-I483 HydrophobicContact CG2-CD1 3.6Å; I479-I483 HydrophobicContact CG2-CG1 4.25Å; I479-I483 VanDerWaalsContact O-CG1 3.32Å; I479-I483 WeakPolarHBondContact O-CG1 3.44Å; I479-I483 PolarHBondContact O-N 3.09Å
480	P	92.9	Very high	86.9	Confident	47 Å²	47	50.6 Å²	50.6	31%	0.305	26%	0.26	S	S	.	.	H	α-helix	trans	-60.4	-40.2	175.6	-26.7	37.9	0	0	0	113.2	C476 I482 I483 I484 W546	C476-P480 VanDerWaalsContact O-CD 3.3Å; C476-P480 WeakPolarHBondContact O-CD 3.44Å; C476-P480 VanDerWaalsContact O-CG 3.27Å; C476-P480 WeakPolarHBondContact O-CG 3.33Å; P480-I482 VanDerWaalsContact C-N 3.34Å; P480-I482 PolarHBondContact O-N 3.45Å; P480-I483 PolarHBondContact O-N 3.14Å; P480-I484 WeakPolarHBondContact O-CB 3.32Å; P480-I484 VanDerWaalsContact O-CG1 3.24Å; P480-I484 WeakPolarHBondContact O-CG1 3.26Å; P480-I484 PolarHBondContact O-N 3.32Å; P480-W546 HydrophobicContact CB-CH2 3.71Å; P480-W546 HydrophobicContact CB-CZ3 3.91Å
481	A	91.8	Very high	85.3	Confident	0 Å²	0	52 Å²	52	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-59.1	-44.5	176.9	0	0	0	0	0	111.7	F477 V478 I479 N485 P524 W546	F477-A481 WeakPolarHBondContact O-CB 3.07Å; F477-A481 PolarHBondContact O-N 2.82Å; V478-A481 PolarHBondContact O-N 3.46Å; I479-A481 VanDerWaalsContact C-N 3.33Å; I479-A481 PolarHBondContact O-N 3.27Å; A481-N485 WeakPolarHBondContact O-CB 3.4Å; A481-N485 PolarHBondContact O-N 3.17Å; A481-P524 HydrophobicContact CB-CG 4.38Å; A481-P524 WeakPolarHBondContact O-CD 3.46Å; A481-P524 WeakPolarHBondContact O-CG 3Å; A481-W546 HydrophobicContact CB-CD2 3.88Å; A481-W546 HydrophobicContact CB-CE3 4.09Å; A481-W546 HydrophobicContact CB-CG 4.08Å
482	I	91.1	Very high	83.5	Confident	27 Å²	27	55.6 Å²	55.6	14%	0.138	28%	0.283	C	S	.	.	H	α-helix	trans	-67.7	-44.6	176.2	-63.9	-57.5	0	0	0	112.1	V380 F384 V478 I479 P480 I484 N485 E486 F526	V380-I482 HydrophobicContact CG1-CD1 4.1Å; V380-I482 HydrophobicContact CG1-CG2 4.17Å; F384-I482 HydrophobicContact CB-CD1 4.24Å; F384-I482 HydrophobicContact CB-CG1 4.27Å; F384-I482 HydrophobicContact CD2-CG1 3.98Å; V478-I482 HydrophobicContact CG1-CG1 4.28Å; V478-I482 WeakPolarHBondContact O-CG1 3.25Å; V478-I482 PolarHBondContact O-N 3.13Å; I479-I482 PolarHBondContact O-N 2.99Å; P480-I482 VanDerWaalsContact C-N 3.34Å; P480-I482 PolarHBondContact O-N 3.45Å; I482-I484 VanDerWaalsContact C-N 3.26Å; I482-I484 PolarHBondContact O-N 2.97Å; I482-N485 WeakPolarHBondContact O-CB 3.32Å; I482-N485 PolarHBondContact O-N 3.16Å; I482-N485 VanDerWaalsContact O-N 3.12Å; I482-E486 HydrophobicContact CG2-CG 4.36Å; I482-E486 PolarHBondContact O-N 3.1Å; I482-F526 HydrophobicContact CD1-CD2 3.58Å; I482-F526 HydrophobicContact CD1-CE2 3.65Å
483	I	88.7	Confident	81.9	Confident	89 Å²	89	51.8 Å²	51.8	46%	0.456	26%	0.264	S	S	.	.	H	α-helix	trans	-58.8	-42.5	178.6	-69.6	169.9	0	0	0	110.5	I479 P480 E486 K487	I479-I483 HydrophobicContact CG2-CD1 3.6Å; I479-I483 HydrophobicContact CG2-CG1 4.25Å; I479-I483 VanDerWaalsContact O-CG1 3.32Å; I479-I483 WeakPolarHBondContact O-CG1 3.44Å; I479-I483 PolarHBondContact O-N 3.09Å; P480-I483 PolarHBondContact O-N 3.14Å; I483-E486 PolarHBondContact O-N 2.79Å; I483-K487 HydrophobicContact CG2-CD 4.41Å; I483-K487 WeakPolarHBondContact O-CB 3.34Å; I483-K487 WeakPolarHBondContact O-CG 3.43Å; I483-K487 PolarHBondContact O-N 3.49Å
484	I	87	Confident	80.2	Confident	25 Å²	25	49.8 Å²	49.8	13%	0.128	25%	0.254	C	S	.	.	H	α-helix	trans	-66.5	-42.1	176.8	-68.5	168.4	0	0	0	110.6	P480 I482 E486 K487 T488 L519 L522 W546	P480-I484 WeakPolarHBondContact O-CB 3.32Å; P480-I484 VanDerWaalsContact O-CG1 3.24Å; P480-I484 WeakPolarHBondContact O-CG1 3.26Å; P480-I484 PolarHBondContact O-N 3.32Å; I482-I484 VanDerWaalsContact C-N 3.26Å; I482-I484 PolarHBondContact O-N 2.97Å; I484-E486 VanDerWaalsContact C-N 3.33Å; I484-E486 PolarHBondContact O-N 3.01Å; I484-K487 PolarHBondContact O-N 2.98Å; I484-T488 WeakPolarHBondContact O-CB 3.27Å; I484-T488 PolarHBondContact O-N 3.31Å; I484-T488 PolarHBondContact O-OG1 3.43Å; I484-L519 HydrophobicContact CB-CD1 4.35Å; I484-L519 HydrophobicContact CG1-CD1 4.04Å; I484-L519 HydrophobicContact CG2-CD1 3.68Å; I484-L519 HydrophobicContact CG2-CG 4Å; I484-L522 HydrophobicContact CD1-CB 4.28Å; I484-L522 HydrophobicContact CG2-CB 4.25Å; I484-W546 HydrophobicContact CD1-CH2 4.19Å; I484-W546 HydrophobicContact CD1-CZ2 3.63Å
485	N	86.2	Confident	78.1	Confident	6 Å²	6	53.2 Å²	53.2	3%	0.032	27%	0.27	C	S	.	.	H	α-helix	trans	-56.4	-47.5	176	-166.7	71.9	0	0	0	111.8	R376 A481 I482 Y489 P524 G525 F526	R376-N485 PolarHBondContact NH2-ND2 3.28Å; A481-N485 WeakPolarHBondContact O-CB 3.4Å; A481-N485 PolarHBondContact O-N 3.17Å; I482-N485 WeakPolarHBondContact O-CB 3.32Å; I482-N485 PolarHBondContact O-N 3.16Å; I482-N485 VanDerWaalsContact O-N 3.12Å; N485-Y489 WeakPolarHBondContact O-CB 3.47Å; N485-Y489 PolarHBondContact O-N 2.92Å; N485-P524 HydrophobicContact CB-CG 3.74Å; N485-G525 PolarHBondContact OD1-N 3.25Å; N485-F526 HydrophobicContact CB-CD2 4.38Å; N485-F526 PolarHBondContact ND2-O 3.37Å; N485-F526 PolarHBondContact OD1-N 2.99Å
486	E	83	Confident	76.2	Confident	77 Å²	77	52.8 Å²	52.8	36%	0.36	27%	0.268	S	S	.	.	H	α-helix	trans	-70	-37.1	179.5	-66.1	-51.6	107.9	0	0	112.4	R376 I482 I483 I484	R376-E486 IonicContact CZ-OE1 3.39Å; R376-E486 VanDerWaalsContact CZ-OE1 3.29Å; R376-E486 IonicContact CZ-OE2 3.21Å; R376-E486 VanDerWaalsContact NH1-CD 3.3Å; R376-E486 IonicContact NH1-OE1 3.22Å; R376-E486 PolarHBondContact NH1-OE1 2.02Å; R376-E486 IonicContact NH1-OE2 3.3Å; R376-E486 PolarHBondContact NH1-OE2 2.7Å; R376-E486 IonicContact NH2-OE1 3.13Å; R376-E486 PolarHBondContact NH2-OE1 3.36Å; R376-E486 IonicContact NH2-OE2 3.65Å; I482-E486 HydrophobicContact CG2-CG 4.36Å; I482-E486 PolarHBondContact O-N 3.1Å; I483-E486 PolarHBondContact O-N 2.79Å; I484-E486 VanDerWaalsContact C-N 3.33Å; I484-E486 PolarHBondContact O-N 3.01Å
487	K	75.7	Confident	74.5	Confident	163 Å²	163	50.4 Å²	50.4	71%	0.709	25%	0.25	S	C	*	.	H	α-helix	trans	-71.4	-29.5	178.5	-80.7	-166.7	174.3	-170.5	0	114.3	I483 I484 L519	I483-K487 HydrophobicContact CG2-CD 4.41Å; I483-K487 WeakPolarHBondContact O-CB 3.34Å; I483-K487 WeakPolarHBondContact O-CG 3.43Å; I483-K487 PolarHBondContact O-N 3.49Å; I484-K487 PolarHBondContact O-N 2.98Å; K487-L519 HydrophobicContact CB-CD2 4.18Å
488	T	70.8	Confident	72.5	Confident	21 Å²	21	52.3 Å²	52.3	13%	0.129	26%	0.255	C	S	.	.	H	α-helix	trans	-86.7	-13.8	-178.2	-40.8	0	0	0	0	112.1	I484 P490 I494 L519 T523	I484-T488 WeakPolarHBondContact O-CB 3.27Å; I484-T488 PolarHBondContact O-N 3.31Å; I484-T488 PolarHBondContact O-OG1 3.43Å; T488-P490 CarbonylContact O-C 3.56Å; T488-I494 HydrophobicContact CG2-CD1 4.02Å; T488-I494 HydrophobicContact CG2-CG1 4.44Å; T488-L519 VanDerWaalsContact OG1-CD2 3.25Å; T488-L519 WeakPolarHBondContact OG1-CD2 3.49Å; T488-L519 VanDerWaalsContact OG1-CG 3.27Å; T488-L519 WeakPolarHBondContact OG1-CG 3.29Å; T488-T523 HydrophobicContact CG2-CG2 4.15Å
489	Y	65.2	Low	70.2	Confident	47 Å²	47	55.2 Å²	55.2	18%	0.184	27%	0.273	C	S	.	.			trans	-84.1	125.3	175.4	-169.2	-87.9	0	0	0	109.1	L47 L48 N485 P529	L47-Y489 HydrophobicContact CD1-CE1 4.41Å; L48-Y489 HydrophobicContact CD1-CE1 3.98Å; N485-Y489 WeakPolarHBondContact O-CB 3.47Å; N485-Y489 PolarHBondContact O-N 2.92Å; Y489-P529 HydrophobicContact CE2-CB 4.45Å; Y489-P529 HydrophobicContact CE2-CG 4.38Å
490	P	55.9	Low	68.1	Low	75 Å²	75	51.9 Å²	51.9	49%	0.487	26%	0.257	S	S	.	.	S	Bend	cis	-92.8	152.1	13.7	35.8	-35.5	0	0	0	116	L47 T488 E492	L47-P490 HydrophobicContact CD1-CB 3.63Å; L47-P490 HydrophobicContact CG-CB 4.41Å; T488-P490 CarbonylContact O-C 3.56Å; P490-E492 PolarHBondContact O-N 2.7Å; P490-E492 VanDerWaalsContact O-N 3.13Å
491	N	57.9	Low	66.1	Low	31 Å²	31	56.4 Å²	56.4	17%	0.166	27%	0.272	C	S	.	.			trans	-87.3	25.3	-149.4	-137.3	24.4	0	0	0	116.9	C493 I494 H495 P529	N491-C493 PolarHBondContact O-N 2.78Å; N491-I494 PolarHBondContact O-N 3.41Å; N491-I494 VanDerWaalsContact O-N 3.14Å; N491-I494 WeakPolarHBondContact OD1-CB 3.41Å; N491-I494 WeakPolarHBondContact OD1-CD1 3.39Å; N491-I494 WeakPolarHBondContact OD1-CG1 3.01Å; N491-H495 PolarHBondContact O-N 2.72Å; N491-P529 HydrophobicContact CB-CG 4.27Å
492	E	54.4	Low	63.5	Low	126 Å²	126	63.9 Å²	63.9	59%	0.589	31%	0.309	S	S	*	.	H	α-helix	trans	-55.5	-47.8	-170.6	-69.6	-174.1	169.2	0	0	112	P490 I494 H495 E496	P490-E492 PolarHBondContact O-N 2.7Å; P490-E492 VanDerWaalsContact O-N 3.13Å; E492-I494 PolarHBondContact O-N 2.87Å; E492-H495 PolarHBondContact O-N 3.32Å; E492-E496 PolarHBondContact O-N 3.45Å; E492-E496 VanDerWaalsContact O-N 3.1Å
493	C	59.9	Low	61.4	Low	13 Å²	13	67.7 Å²	67.7	9%	0.088	33%	0.329	C	S	.	.	H	α-helix	trans	-64.2	-37.3	178.8	170.9	0	0	0	0	113.8	N491 E496 Q497 C512	N491-C493 PolarHBondContact O-N 2.78Å; C493-E496 PolarHBondContact O-N 3.41Å; C493-Q497 WeakPolarHBondContact O-CB 3.38Å; C493-Q497 WeakPolarHBondContact O-CG 3.32Å; C493-Q497 PolarHBondContact O-N 3.14Å; C493-Q497 PolarHBondContact SG-NE2 3.19Å; C493-C512 HydrophobicContact CB-CB 3.67Å; C493-C512 WeakPolarHBondContact CB-SG 3.47Å; C493-C512 WeakPolarHBondContact SG-CB 3.22Å; C493-C512 CovalentContact SG-SG 2.02Å; C493-C512 PolarHBondContact SG-SG 2.84Å
494	I	56.4	Low	59.5	Low	14 Å²	14	70.8 Å²	70.8	7%	0.072	35%	0.346	C	S	.	.	H	α-helix	trans	-67.5	-42.4	-178.4	-56.3	-160.4	0	0	0	110.5	T488 N491 E492 E496 Q497 R498 T523 I539	T488-I494 HydrophobicContact CG2-CD1 4.02Å; T488-I494 HydrophobicContact CG2-CG1 4.44Å; N491-I494 PolarHBondContact O-N 3.41Å; N491-I494 VanDerWaalsContact O-N 3.14Å; N491-I494 WeakPolarHBondContact OD1-CB 3.41Å; N491-I494 WeakPolarHBondContact OD1-CD1 3.39Å; N491-I494 WeakPolarHBondContact OD1-CG1 3.01Å; E492-I494 PolarHBondContact O-N 2.87Å; I494-E496 VanDerWaalsContact C-N 3.33Å; I494-Q497 PolarHBondContact O-N 3.43Å; I494-R498 WeakPolarHBondContact O-CB 3.28Å; I494-R498 PolarHBondContact O-N 2.7Å; I494-T523 HydrophobicContact CD1-CG2 3.32Å; I494-I539 HydrophobicContact CD1-CD1 3.95Å
495	H	52.5	Low	57.7	Low	73 Å²	73	74.5 Å²	74.5	34%	0.338	37%	0.367	S	S	.	.	H	α-helix	trans	-64	-43.7	178.3	-165.3	-60.7	0	0	0	110.5	N491 E492 R498 V499 E530	N491-H495 PolarHBondContact O-N 2.72Å; E492-H495 PolarHBondContact O-N 3.32Å; H495-R498 PolarHBondContact O-N 3.07Å; H495-V499 VanDerWaalsContact O-CG2 3.32Å; H495-V499 WeakPolarHBondContact O-CG2 3.1Å; H495-V499 PolarHBondContact O-N 3.26Å; H495-E530 IonicContact CD2-OE1 2.87Å
496	E	55	Low	56.2	Low	52 Å²	52	83.3 Å²	83.3	24%	0.243	41%	0.408	C	S	.	.	H	α-helix	trans	-66.2	-40.2	178.4	-158.1	-177.7	-151.7	0	0	112.4	E492 C493 I494 R498 V499 A500 I511	E492-E496 PolarHBondContact O-N 3.45Å; E492-E496 VanDerWaalsContact O-N 3.1Å; C493-E496 PolarHBondContact O-N 3.41Å; I494-E496 VanDerWaalsContact C-N 3.33Å; E496-R498 VanDerWaalsContact C-N 3.32Å; E496-R498 PolarHBondContact O-N 3.31Å; E496-V499 PolarHBondContact O-N 3.1Å; E496-A500 WeakPolarHBondContact O-CB 3.41Å; E496-A500 PolarHBondContact O-N 2.9Å; E496-I511 WeakPolarHBondContact OE1-CD1 3.31Å; E496-I511 WeakPolarHBondContact OE2-CB 3.34Å; E496-I511 WeakPolarHBondContact OE2-CG2 3.16Å
497	Q	56.8	Low	54.8	Low	27 Å²	27	81.5 Å²	81.5	13%	0.126	40%	0.401	C	S	.	.	H	α-helix	trans	-58.1	-42.4	171.6	-81.2	-178.5	1.4	0	0	112.9	C493 I494 K501 V507 S520	C493-Q497 WeakPolarHBondContact O-CB 3.38Å; C493-Q497 WeakPolarHBondContact O-CG 3.32Å; C493-Q497 PolarHBondContact O-N 3.14Å; C493-Q497 PolarHBondContact SG-NE2 3.19Å; I494-Q497 PolarHBondContact O-N 3.43Å; Q497-K501 VanDerWaalsContact O-CB 3.26Å; Q497-K501 WeakPolarHBondContact O-CB 3.13Å; Q497-K501 PolarHBondContact O-N 2.9Å; Q497-V507 HydrophobicContact CB-CG2 4.4Å; Q497-V507 HydrophobicContact CG-CG1 4.21Å; Q497-V507 HydrophobicContact CG-CG2 3.86Å; Q497-S520 PolarHBondContact NE2-OG 3.3Å; Q497-S520 VanDerWaalsContact NE2-OG 3.14Å; Q497-S520 PolarHBondContact OE1-OG 3.3Å
498	R	52	Low	53.9	Low	106 Å²	106	77.8 Å²	77.8	40%	0.4	39%	0.389	S	S	.	.	H	α-helix	trans	-66.5	-42.3	179.8	-160.9	-174.5	-74.5	169.9	-4.8	110.6	I494 H495 E496 M502 E530	I494-R498 WeakPolarHBondContact O-CB 3.28Å; I494-R498 PolarHBondContact O-N 2.7Å; H495-R498 PolarHBondContact O-N 3.07Å; E496-R498 VanDerWaalsContact C-N 3.32Å; E496-R498 PolarHBondContact O-N 3.31Å; R498-M502 WeakPolarHBondContact O-CG 3.3Å; R498-M502 PolarHBondContact O-N 2.88Å; R498-E530 IonicContact NH1-OE1 3.36Å; R498-E530 IonicContact NH1-OE2 3.65Å; R498-E530 PolarHBondContact NH1-OE2 3.43Å; R498-E530 VanDerWaalsContact NH1-OE2 3.1Å
499	V	46.5	Very low	53.2	Low	62 Å²	62	85.1 Å²	85.1	38%	0.376	42%	0.422	S	S	.	.	H	α-helix	trans	-66.1	-47.2	176.3	170.8	0	0	0	0	111.4	H495 E496 K501 M502 L503	H495-V499 VanDerWaalsContact O-CG2 3.32Å; H495-V499 WeakPolarHBondContact O-CG2 3.1Å; H495-V499 PolarHBondContact O-N 3.26Å; E496-V499 PolarHBondContact O-N 3.1Å; V499-K501 VanDerWaalsContact C-N 3.32Å; V499-K501 PolarHBondContact O-N 3.22Å; V499-M502 PolarHBondContact O-N 3.26Å; V499-L503 HydrophobicContact CG1-CD1 3.61Å; V499-L503 WeakPolarHBondContact O-CB 3.1Å; V499-L503 WeakPolarHBondContact O-CG 3.38Å; V499-L503 PolarHBondContact O-N 3.46Å
500	A	50.2	Low	52.8	Low	9 Å²	9	87.5 Å²	87.5	7%	0.074	45%	0.446	C	S	.	.	H	α-helix	trans	-59.2	-43.2	177.1	0	0	0	0	0	111.4	E496 M502 L503 N504 N505 V507	E496-A500 WeakPolarHBondContact O-CB 3.41Å; E496-A500 PolarHBondContact O-N 2.9Å; A500-M502 PolarHBondContact O-N 3.48Å; A500-L503 CarbonylContact O-C 3.58Å; A500-L503 PolarHBondContact O-N 3.48Å; A500-N504 PolarHBondContact O-N 3.48Å; A500-N505 CarbonylContact C-O 3.6Å; A500-N505 WeakPolarHBondContact CB-O 3.2Å; A500-N505 PolarHBondContact O-N 2.81Å; A500-V507 HydrophobicContact CB-CB 4.41Å; A500-V507 HydrophobicContact CB-CG2 3.5Å; A500-V507 VanDerWaalsContact CB-CG2 3.5Å
501	K	50.3	Low	52.7	Low	141 Å²	141	87.4 Å²	87.4	61%	0.613	44%	0.441	S	S	*	.	H	α-helix	trans	-64.6	-38.5	176.1	-168.7	175.4	-175.6	178.3	0	113.1	Q497 V499 L503	Q497-K501 VanDerWaalsContact O-CB 3.26Å; Q497-K501 WeakPolarHBondContact O-CB 3.13Å; Q497-K501 PolarHBondContact O-N 2.9Å; V499-K501 VanDerWaalsContact C-N 3.32Å; V499-K501 PolarHBondContact O-N 3.22Å; K501-L503 VanDerWaalsContact C-N 3.31Å
502	M	39.1	Very low	53	Low	158 Å²	158	86.4 Å²	86.4	78%	0.778	44%	0.436	S	S	*	.	H	α-helix	trans	-67.8	-33.2	174.1	-75	-163.4	-174.6	0	0	112.4	R498 V499 A500	R498-M502 WeakPolarHBondContact O-CG 3.3Å; R498-M502 PolarHBondContact O-N 2.88Å; V499-M502 PolarHBondContact O-N 3.26Å; A500-M502 PolarHBondContact O-N 3.48Å
503	L	45.2	Very low	53.6	Low	107 Å²	107	83.8 Å²	83.8	56%	0.56	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88	0.4	-179.7	-71.4	164.5	0	0	0	113.7	V499 A500 K501 N505	V499-L503 HydrophobicContact CG1-CD1 3.61Å; V499-L503 WeakPolarHBondContact O-CB 3.1Å; V499-L503 WeakPolarHBondContact O-CG 3.38Å; V499-L503 PolarHBondContact O-N 3.46Å; A500-L503 CarbonylContact O-C 3.58Å; A500-L503 PolarHBondContact O-N 3.48Å; K501-L503 VanDerWaalsContact C-N 3.31Å; L503-N505 HydrophobicContact CB-CB 4.28Å; L503-N505 PolarHBondContact O-N 3.4Å; L503-N505 VanDerWaalsContact O-N 3.14Å
504	N	49.7	Very low	54	Low	153 Å²	153	91.6 Å²	91.6	82%	0.818	46%	0.461	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.9	30.1	-168.6	-72.9	-24	0	0	0	113.7	A500	A500-N504 PolarHBondContact O-N 3.48Å
505	N	49.4	Very low	54.6	Low	104 Å²	104	95 Å²	95	56%	0.556	49%	0.486	S	S	*	.	P	Polyproline II helix	trans	-99.3	153.3	177.3	-76.6	-18	0	0	0	110.5	A500 L503	A500-N505 CarbonylContact C-O 3.6Å; A500-N505 WeakPolarHBondContact CB-O 3.2Å; A500-N505 PolarHBondContact O-N 2.81Å; L503-N505 HydrophobicContact CB-CB 4.28Å; L503-N505 PolarHBondContact O-N 3.4Å; L503-N505 VanDerWaalsContact O-N 3.14Å
506	E	54.2	Low	55.4	Low	191 Å²	191	95.6 Å²	95.6	89%	0.893	49%	0.489	S	S	*	.	P	Polyproline II helix	trans	-71.5	145	167.6	-69.8	-171.6	158.8	0	0	110.5
507	V	53.8	Low	56	Low	38 Å²	38	97.8 Å²	97.8	23%	0.23	50%	0.497	C	S	.	.	P	Polyproline II helix	trans	-76.6	130.7	178.3	-178.4	0	0	0	0	107.8	Q497 A500 E509 C512	Q497-V507 HydrophobicContact CB-CG2 4.4Å; Q497-V507 HydrophobicContact CG-CG1 4.21Å; Q497-V507 HydrophobicContact CG-CG2 3.86Å; A500-V507 HydrophobicContact CB-CB 4.41Å; A500-V507 HydrophobicContact CB-CG2 3.5Å; A500-V507 VanDerWaalsContact CB-CG2 3.5Å; V507-E509 PolarHBondContact O-N 2.99Å; V507-E509 VanDerWaalsContact O-N 3.16Å; V507-C512 HydrophobicContact CG1-CB 4.23Å
508	D	56.1	Low	56.7	Low	85 Å²	85	101.3 Å²	101.3	46%	0.455	52%	0.516	S	S	.	.	P	Polyproline II helix	trans	-62.1	116.1	-179.2	-163.8	-29	0	0	0	110.3	S510 I511 C512	D508-S510 PolarHBondContact O-N 2.03Å; D508-S510 VanDerWaalsContact O-N 3.17Å; D508-S510 VanDerWaalsContact OD1-CB 3.3Å; D508-S510 WeakPolarHBondContact OD1-CB 3.11Å; D508-S510 PolarHBondContact OD1-N 3.19Å; D508-S510 PolarHBondContact OD1-OG 3.09Å; D508-S510 PolarHBondContact OD2-OG 3.43Å; D508-I511 HydrophobicContact CB-CD1 4.24Å; D508-I511 PolarHBondContact O-N 3.1Å; D508-I511 VanDerWaalsContact O-N 3.1Å; D508-C512 PolarHBondContact O-N 2.82Å
509	E	56.2	Low	57.7	Low	175 Å²	175	98.4 Å²	98.4	82%	0.818	51%	0.508	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.2	-20.4	178.8	-78.4	-165.9	152.6	0	0	112.5	V507 I511	V507-E509 PolarHBondContact O-N 2.99Å; V507-E509 VanDerWaalsContact O-N 3.16Å; E509-I511 PolarHBondContact O-N 3.07Å
510	S	57.9	Low	58.9	Low	98 Å²	98	95.7 Å²	95.7	69%	0.685	49%	0.492	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.4	-23.8	176.1	68	0	0	0	0	113.2	D508	D508-S510 PolarHBondContact O-N 2.03Å; D508-S510 VanDerWaalsContact O-N 3.17Å; D508-S510 VanDerWaalsContact OD1-CB 3.3Å; D508-S510 WeakPolarHBondContact OD1-CB 3.11Å; D508-S510 PolarHBondContact OD1-N 3.19Å; D508-S510 PolarHBondContact OD1-OG 3.09Å; D508-S510 PolarHBondContact OD2-OG 3.43Å
511	I	54	Low	60	Low	73 Å²	73	101.6 Å²	101.6	37%	0.374	51%	0.514	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.1	-33.3	-176.2	-63.8	164.2	0	0	0	111.2	E496 D508 E509	E496-I511 WeakPolarHBondContact OE1-CD1 3.31Å; E496-I511 WeakPolarHBondContact OE2-CB 3.34Å; E496-I511 WeakPolarHBondContact OE2-CG2 3.16Å; D508-I511 HydrophobicContact CB-CD1 4.24Å; D508-I511 PolarHBondContact O-N 3.1Å; D508-I511 VanDerWaalsContact O-N 3.1Å; E509-I511 PolarHBondContact O-N 3.07Å
512	C	63.4	Low	61.5	Low	9 Å²	9	97.5 Å²	97.5	6%	0.061	50%	0.498	C	S	.	.	S	Bend	trans	-124.1	109	178.9	-161.7	0	0	0	0	113.5	C493 V507 D508 Q516	C493-C512 HydrophobicContact CB-CB 3.67Å; C493-C512 WeakPolarHBondContact CB-SG 3.47Å; C493-C512 WeakPolarHBondContact SG-CB 3.22Å; C493-C512 CovalentContact SG-SG 2.02Å; C493-C512 PolarHBondContact SG-SG 2.84Å; V507-C512 HydrophobicContact CG1-CB 4.23Å; D508-C512 PolarHBondContact O-N 2.82Å; C512-Q516 VanDerWaalsContact SG-CB 3.54Å
513	T	66	Low	63.6	Low	72 Å²	72	90.1 Å²	90.1	44%	0.442	46%	0.462	S	S	.	.			trans	-64.1	153.6	172.3	60.8	0	0	0	0	111.5	S515 Q516 K517	T513-S515 PolarHBondContact O-N 3.49Å; T513-S515 VanDerWaalsContact O-N 3.12Å; T513-S515 PolarHBondContact OG1-OG 3.11Å; T513-S515 VanDerWaalsContact OG1-OG 3.13Å; T513-Q516 WeakPolarHBondContact O-CB 3.25Å; T513-Q516 PolarHBondContact O-N 3.1Å; T513-Q516 VanDerWaalsContact OG1-CD 3.27Å; T513-Q516 VanDerWaalsContact OG1-CG 3.3Å; T513-Q516 WeakPolarHBondContact OG1-CG 3.24Å; T513-Q516 PolarHBondContact OG1-N 2.79Å; T513-Q516 PolarHBondContact OG1-OE1 3.14Å; T513-K517 PolarHBondContact O-N 2.84Å
514	K	68.3	Low	65.6	Low	177 Å²	177	85 Å²	85	77%	0.77	44%	0.435	S	S	*	.	H	α-helix	trans	-53.4	-35.5	177.6	-170.2	174.7	-177	175.1	0	113.2	K517 I518	K514-K517 PolarHBondContact O-N 2.99Å; K514-I518 WeakPolarHBondContact O-CG1 3.46Å; K514-I518 PolarHBondContact O-N 2.86Å
515	S	70.3	Confident	67	Low	84 Å²	84	78.2 Å²	78.2	59%	0.587	40%	0.401	S	S	*	.	H	α-helix	trans	-69.1	-43	176.3	52.1	0	0	0	0	112.4	T513 K517 I518 L519	T513-S515 PolarHBondContact O-N 3.49Å; T513-S515 VanDerWaalsContact O-N 3.12Å; T513-S515 PolarHBondContact OG1-OG 3.11Å; T513-S515 VanDerWaalsContact OG1-OG 3.13Å; S515-K517 VanDerWaalsContact C-N 3.29Å; S515-K517 PolarHBondContact O-N 3.45Å; S515-I518 PolarHBondContact O-N 3.32Å; S515-L519 WeakPolarHBondContact O-CB 3.49Å; S515-L519 PolarHBondContact O-N 2.94Å
516	Q	69.9	Low	68.6	Low	86 Å²	86	73.3 Å²	73.3	40%	0.402	38%	0.375	S	S	.	.	H	α-helix	trans	-63	-36.1	173.9	-74.4	165.6	-42.4	0	0	111.8	C512 T513 L519 S520	C512-Q516 VanDerWaalsContact SG-CB 3.54Å; T513-Q516 WeakPolarHBondContact O-CB 3.25Å; T513-Q516 PolarHBondContact O-N 3.1Å; T513-Q516 VanDerWaalsContact OG1-CD 3.27Å; T513-Q516 VanDerWaalsContact OG1-CG 3.3Å; T513-Q516 WeakPolarHBondContact OG1-CG 3.24Å; T513-Q516 PolarHBondContact OG1-N 2.79Å; T513-Q516 PolarHBondContact OG1-OE1 3.14Å; Q516-L519 PolarHBondContact O-N 3.18Å; Q516-S520 WeakPolarHBondContact O-CB 3.38Å; Q516-S520 PolarHBondContact O-N 3.13Å
517	K	67.5	Low	69.6	Low	98 Å²	98	64.3 Å²	64.3	43%	0.426	33%	0.333	S	S	.	.	H	α-helix	trans	-64.3	-37.4	174.5	179.1	167.7	-172.7	178.4	0	113.1	T513 K514 S515 S520 Y521	T513-K517 PolarHBondContact O-N 2.84Å; K514-K517 PolarHBondContact O-N 2.99Å; S515-K517 VanDerWaalsContact C-N 3.29Å; S515-K517 PolarHBondContact O-N 3.45Å; K517-S520 PolarHBondContact O-OG 3.49Å; K517-Y521 HydrophobicContact CG-CE2 4.2Å; K517-Y521 WeakPolarHBondContact O-CD2 3.37Å; K517-Y521 WeakPolarHBondContact O-CE2 3.42Å
518	I	71.4	Confident	70.4	Confident	101 Å²	101	63.1 Å²	63.1	52%	0.518	33%	0.326	S	S	.	.	H	α-helix	trans	-70.4	-43.1	173.6	-65.9	167.3	0	0	0	110	K514 S515 S520 Y521 L522	K514-I518 WeakPolarHBondContact O-CG1 3.46Å; K514-I518 PolarHBondContact O-N 2.86Å; S515-I518 PolarHBondContact O-N 3.32Å; I518-S520 VanDerWaalsContact C-N 3.26Å; I518-S520 PolarHBondContact O-N 3.01Å; I518-Y521 PolarHBondContact O-N 2.98Å; I518-L522 HydrophobicContact CG2-CD1 4.19Å; I518-L522 PolarHBondContact O-N 2.87Å
519	L	73.3	Confident	70.4	Confident	45 Å²	45	61.1 Å²	61.1	24%	0.236	32%	0.318	C	S	.	.	H	α-helix	trans	-64.5	-31.9	-179.4	-157.7	69	0	0	0	112.1	I484 K487 T488 S515 Q516 Y521 L522 T523	I484-L519 HydrophobicContact CB-CD1 4.35Å; I484-L519 HydrophobicContact CG1-CD1 4.04Å; I484-L519 HydrophobicContact CG2-CD1 3.68Å; I484-L519 HydrophobicContact CG2-CG 4Å; K487-L519 HydrophobicContact CB-CD2 4.18Å; T488-L519 VanDerWaalsContact OG1-CD2 3.25Å; T488-L519 WeakPolarHBondContact OG1-CD2 3.49Å; T488-L519 VanDerWaalsContact OG1-CG 3.27Å; T488-L519 WeakPolarHBondContact OG1-CG 3.29Å; S515-L519 WeakPolarHBondContact O-CB 3.49Å; S515-L519 PolarHBondContact O-N 2.94Å; Q516-L519 PolarHBondContact O-N 3.18Å; L519-Y521 VanDerWaalsContact C-N 3.31Å; L519-Y521 PolarHBondContact O-N 2.78Å; L519-L522 PolarHBondContact O-N 2.9Å; L519-L522 VanDerWaalsContact O-N 3.14Å; L519-T523 PolarHBondContact O-N 3.39Å
520	S	70	Confident	70.2	Confident	6 Å²	6	55.5 Å²	55.5	4%	0.042	29%	0.292	C	S	.	.	H	α-helix	trans	-65.1	-30.7	177.1	69.8	0	0	0	0	113.5	Q497 Q516 K517 I518 T523	Q497-S520 PolarHBondContact NE2-OG 3.3Å; Q497-S520 VanDerWaalsContact NE2-OG 3.14Å; Q497-S520 PolarHBondContact OE1-OG 3.3Å; Q516-S520 WeakPolarHBondContact O-CB 3.38Å; Q516-S520 PolarHBondContact O-N 3.13Å; K517-S520 PolarHBondContact O-OG 3.49Å; I518-S520 VanDerWaalsContact C-N 3.26Å; I518-S520 PolarHBondContact O-N 3.01Å; S520-T523 WeakPolarHBondContact O-CG2 3.37Å
521	Y	73	Confident	70.3	Confident	133 Å²	133	53.6 Å²	53.6	52%	0.522	27%	0.273	S	S	.	.	H	α-helix	trans	-75.9	-27.6	173.3	-70.2	-67.4	0	0	0	113	K517 I518 L519	K517-Y521 HydrophobicContact CG-CE2 4.2Å; K517-Y521 WeakPolarHBondContact O-CD2 3.37Å; K517-Y521 WeakPolarHBondContact O-CE2 3.42Å; I518-Y521 PolarHBondContact O-N 2.98Å; L519-Y521 VanDerWaalsContact C-N 3.31Å; L519-Y521 PolarHBondContact O-N 2.78Å
522	L	82.5	Confident	70.8	Confident	54 Å²	54	52.1 Å²	52.1	28%	0.283	27%	0.269	S	S	.	.	H	α-helix	trans	-90.5	-15.3	-176.9	-64.6	174.3	0	0	0	113.2	I484 I518 L519 L545 W546	I484-L522 HydrophobicContact CD1-CB 4.28Å; I484-L522 HydrophobicContact CG2-CB 4.25Å; I518-L522 HydrophobicContact CG2-CD1 4.19Å; I518-L522 PolarHBondContact O-N 2.87Å; L519-L522 PolarHBondContact O-N 2.9Å; L519-L522 VanDerWaalsContact O-N 3.14Å; L522-L545 HydrophobicContact CD2-CD2 3.3Å; L522-W546 PolarHBondContact O-NE1 2.03Å
523	T	84.2	Confident	70.9	Confident	4 Å²	4	53.2 Å²	53.2	3%	0.025	28%	0.276	C	S	.	.			trans	-72.5	127.8	-175.9	-176	0	0	0	0	112	T488 I494 L519 S520 G525 I539 A542	T488-T523 HydrophobicContact CG2-CG2 4.15Å; I494-T523 HydrophobicContact CD1-CG2 3.32Å; L519-T523 PolarHBondContact O-N 3.39Å; S520-T523 WeakPolarHBondContact O-CG2 3.37Å; T523-G525 PolarHBondContact O-N 2.84Å; T523-I539 HydrophobicContact CG2-CD1 3.32Å; T523-I539 WeakPolarHBondContact O-CD1 3.46Å; T523-A542 VanDerWaalsContact C-CB 3.49Å; T523-A542 WeakPolarHBondContact O-CB 3.38Å
524	P	85.6	Confident	71.3	Confident	0 Å²	0	54.2 Å²	54.2	0%	0	27%	0.271	C	S	.	.			trans	-68.5	-22.9	179.6	29.2	-35.8	0	0	0	112.9	A481 N485 F526 F537 T538	A481-P524 HydrophobicContact CB-CG 4.38Å; A481-P524 WeakPolarHBondContact O-CD 3.46Å; A481-P524 WeakPolarHBondContact O-CG 3Å; N485-P524 HydrophobicContact CB-CG 3.74Å; P524-F526 HydrophobicContact CB-CD1 4.16Å; P524-F526 HydrophobicContact CB-CD2 3.85Å; P524-F526 HydrophobicContact CB-CE1 3.83Å; P524-F526 HydrophobicContact CB-CE2 3.5Å; P524-F526 HydrophobicContact CB-CG 4.18Å; P524-F526 HydrophobicContact CB-CZ 3.5Å; P524-F526 HydrophobicContact CG-CD2 3.48Å; P524-F526 VanDerWaalsContact CG-CD2 3.48Å; P524-F526 HydrophobicContact CG-CE2 3.39Å; P524-F526 HydrophobicContact CG-CG 4.14Å; P524-F526 HydrophobicContact CG-CZ 3.97Å; P524-F537 HydrophobicContact CB-CD1 3.5Å; P524-F537 VanDerWaalsContact CB-CD1 3.5Å; P524-F537 HydrophobicContact CB-CE1 3.49Å; P524-F537 VanDerWaalsContact CB-CE1 3.49Å; P524-F537 WeakPolarHBondContact O-CA 3.3Å; P524-T538 PolarHBondContact O-N 3.34Å; P524-T538 VanDerWaalsContact O-N 3.11Å
525	G	79.1	Confident	72	Confident	10 Å²	10	45.8 Å²	45.8	10%	0.103	24%	0.235	C	C	.	.			trans	66.8	43	-178.8	0	0	0	0	0	112.4	N485 T523 P528 T538	N485-G525 PolarHBondContact OD1-N 3.25Å; T523-G525 PolarHBondContact O-N 2.84Å; G525-P528 WeakPolarHBondContact O-CD 3.28Å; G525-T538 WeakPolarHBondContact CA-OG1 3.22Å; G525-T538 WeakPolarHBondContact O-CB 3.39Å; G525-T538 VanDerWaalsContact O-CG2 3.3Å; G525-T538 WeakPolarHBondContact O-CG2 3.48Å; G525-T538 PolarHBondContact O-OG1 2.63Å
526	F	83.7	Confident	72.7	Confident	1 Å²	1	42.1 Å²	42.1	0%	0.004	21%	0.208	C	C	.	.			trans	-72.8	132.3	173.2	-57.6	-47.8	0	0	0	110.2	A383 I482 N485 P524 F537	A383-F526 HydrophobicContact CB-CB 3.95Å; A383-F526 HydrophobicContact CB-CD1 3.97Å; A383-F526 HydrophobicContact CB-CD2 4.12Å; A383-F526 HydrophobicContact CB-CE1 4.47Å; A383-F526 HydrophobicContact CB-CG 3.76Å; I482-F526 HydrophobicContact CD1-CD2 3.58Å; I482-F526 HydrophobicContact CD1-CE2 3.65Å; N485-F526 HydrophobicContact CB-CD2 4.38Å; N485-F526 PolarHBondContact ND2-O 3.37Å; N485-F526 PolarHBondContact OD1-N 2.99Å; P524-F526 HydrophobicContact CB-CD1 4.16Å; P524-F526 HydrophobicContact CB-CD2 3.85Å; P524-F526 HydrophobicContact CB-CE1 3.83Å; P524-F526 HydrophobicContact CB-CE2 3.5Å; P524-F526 HydrophobicContact CB-CG 4.18Å; P524-F526 HydrophobicContact CB-CZ 3.5Å; P524-F526 HydrophobicContact CG-CD2 3.48Å; P524-F526 VanDerWaalsContact CG-CD2 3.48Å; P524-F526 HydrophobicContact CG-CE2 3.39Å; P524-F526 HydrophobicContact CG-CG 4.14Å; P524-F526 HydrophobicContact CG-CZ 3.97Å; F526-F537 AromaticContact CE1-CD1 3.87Å; F526-F537 HydrophobicContact CE1-CD1 3.87Å; F526-F537 AromaticContact CE1-CD2 3.82Å; F526-F537 HydrophobicContact CE1-CD2 3.82Å; F526-F537 AromaticContact CE1-CE1 3.97Å; F526-F537 HydrophobicContact CE1-CE1 3.97Å; F526-F537 AromaticContact CE1-CE2 3.92Å; F526-F537 HydrophobicContact CE1-CE2 3.92Å; F526-F537 AromaticContact CE1-CG 3.8Å; F526-F537 HydrophobicContact CE1-CG 3.8Å; F526-F537 AromaticContact CE1-CZ 3.99Å; F526-F537 HydrophobicContact CE1-CZ 3.99Å; F526-F537 HydrophobicContact CZ-CD1 4.09Å; F526-F537 HydrophobicContact CZ-CD2 4.32Å; F526-F537 AromaticContact CZ-CE1 3.71Å; F526-F537 HydrophobicContact CZ-CE1 3.71Å; F526-F537 AromaticContact CZ-CE2 3.97Å; F526-F537 HydrophobicContact CZ-CE2 3.97Å; F526-F537 HydrophobicContact CZ-CG 4.38Å; F526-F537 AromaticContact CZ-CZ 3.65Å; F526-F537 HydrophobicContact CZ-CZ 3.65Å
527	C	76.6	Confident	73.4	Confident	1 Å²	1	38.4 Å²	38.4	1%	0.007	19%	0.191	C	C	.	.	S	Bend	trans	52	56.5	177.9	-42.1	0	0	0	0	111.7	R376 C379 V380 R534	R376-C527 HydrophobicContact CG-CB 4.46Å; C379-C527 HydrophobicContact CB-CB 3.89Å; C379-C527 WeakPolarHBondContact CB-SG 3Å; C379-C527 WeakPolarHBondContact SG-CB 3.36Å; C379-C527 CovalentContact SG-SG 2.03Å; C379-C527 PolarHBondContact SG-SG 3.33Å; V380-C527 HydrophobicContact CG2-CB 4.35Å; V380-C527 PolarHBondContact N-SG 3.5Å; C527-R534 WeakPolarHBondContact CA-O 3.28Å; C527-R534 PolarHBondContact N-O 2.75Å
528	P	68.6	Low	73.6	Confident	14 Å²	14	35.5 Å²	35.5	9%	0.091	18%	0.181	C	C	.	.			trans	-63.9	157.9	-179.1	31.8	-37.9	0	0	0	110.3	G525 E530 D531 C532 T538	G525-P528 WeakPolarHBondContact O-CD 3.28Å; P528-E530 PolarHBondContact O-N 3.23Å; P528-D531 WeakPolarHBondContact CD-O 3Å; P528-D531 HydrophobicContact CG-CB 4.22Å; P528-D531 CarbonylContact O-C 3.55Å; P528-D531 PolarHBondContact O-N 3.21Å; P528-C532 WeakPolarHBondContact O-CA 3.26Å; P528-C532 PolarHBondContact O-N 3Å; P528-C532 VanDerWaalsContact O-N 3.1Å; P528-T538 HydrophobicContact CG-CG2 3.94Å
529	P	56.1	Low	73.7	Confident	43 Å²	43	31.5 Å²	31.5	28%	0.279	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-18.3	178.2	26.6	-32.2	0	0	0	112.9	L47 Y489 N491	L47-P529 HydrophobicContact CD1-CB 4.33Å; Y489-P529 HydrophobicContact CE2-CB 4.45Å; Y489-P529 HydrophobicContact CE2-CG 4.38Å; N491-P529 HydrophobicContact CB-CG 4.27Å
530	E	52.9	Low	73.7	Confident	57 Å²	57	32 Å²	32	27%	0.266	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.4	-28.2	175	-66.7	169.7	-167.8	0	0	113	R223 H495 R498 P528	R223-E530 PolarHBondContact NH2-O 3.3Å; H495-E530 IonicContact CD2-OE1 2.87Å; R498-E530 IonicContact NH1-OE1 3.36Å; R498-E530 IonicContact NH1-OE2 3.65Å; R498-E530 PolarHBondContact NH1-OE2 3.43Å; R498-E530 VanDerWaalsContact NH1-OE2 3.1Å; P528-E530 PolarHBondContact O-N 3.23Å
531	D	59.9	Low	74.1	Confident	57 Å²	57	34.6 Å²	34.6	31%	0.305	18%	0.175	S	C	.	.			trans	-151.2	74.8	-176.6	-173.5	-1.4	0	0	0	109.4	P528 T533 R534	P528-D531 WeakPolarHBondContact CD-O 3Å; P528-D531 HydrophobicContact CG-CB 4.22Å; P528-D531 CarbonylContact O-C 3.55Å; P528-D531 PolarHBondContact O-N 3.21Å; D531-T533 PolarHBondContact O-N 2.76Å; D531-T533 PolarHBondContact OD1-OG1 2.94Å; D531-R534 HydrophobicContact CB-CB 4.3Å; D531-R534 PolarHBondContact O-N 3.43Å; D531-R534 VanDerWaalsContact O-N 3.14Å; D531-R534 WeakPolarHBondContact OD2-CB 3.35Å
532	C	65.1	Low	74.6	Confident	43 Å²	43	28.3 Å²	28.3	29%	0.291	15%	0.15	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-15.3	-174.9	-58.3	0	0	0	0	113.3	C379 P528	C379-C532 PolarHBondContact SG-O 3.42Å; P528-C532 WeakPolarHBondContact O-CA 3.26Å; P528-C532 PolarHBondContact O-N 3Å; P528-C532 VanDerWaalsContact O-N 3.1Å
533	T	65.7	Low	74.7	Confident	31 Å²	31	26.1 Å²	26.1	19%	0.19	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.7	2.1	-177.3	45.4	0	0	0	0	114.1	I368 D531 P535	I368-T533 HydrophobicContact CG2-CG2 4.02Å; D531-T533 PolarHBondContact O-N 2.76Å; D531-T533 PolarHBondContact OD1-OG1 2.94Å; T533-P535 WeakPolarHBondContact O-CD 3.49Å
534	R	73.3	Confident	74.7	Confident	93 Å²	93	31 Å²	31	35%	0.351	16%	0.16	S	C	.	.			trans	-98.5	94.7	-177.1	-174.3	166.1	177.7	168.3	1.5	112.7	I267 C527 D531 W536 T538	I267-R534 HydrophobicContact CD1-CG 4.17Å; C527-R534 WeakPolarHBondContact CA-O 3.28Å; C527-R534 PolarHBondContact N-O 2.75Å; D531-R534 HydrophobicContact CB-CB 4.3Å; D531-R534 PolarHBondContact O-N 3.43Å; D531-R534 VanDerWaalsContact O-N 3.14Å; D531-R534 WeakPolarHBondContact OD2-CB 3.35Å; R534-W536 PolarHBondContact O-N 3.17Å; R534-T538 HydrophobicContact CG-CG2 4.16Å
535	P	82.5	Confident	74.8	Confident	1 Å²	1	34.7 Å²	34.7	1%	0.006	18%	0.179	C	C	.	.			trans	-82.7	38.4	177.7	36.1	-41.1	0	0	0	113	I267 L364 C379 I382 A383 I386 T533	I267-P535 HydrophobicContact CD1-CG 4Å; L364-P535 HydrophobicContact CD1-CG 3.9Å; C379-P535 WeakPolarHBondContact O-CB 3.44Å; I382-P535 HydrophobicContact CB-CB 4.03Å; I382-P535 HydrophobicContact CB-CG 4.5Å; I382-P535 HydrophobicContact CG2-CB 3.77Å; I382-P535 HydrophobicContact CG2-CG 3.8Å; A383-P535 VanDerWaalsContact CA-O 3.32Å; A383-P535 WeakPolarHBondContact CA-O 3.09Å; A383-P535 HydrophobicContact CB-CB 3.93Å; A383-P535 VanDerWaalsContact CB-O 3.31Å; A383-P535 WeakPolarHBondContact CB-O 3.49Å; I386-P535 HydrophobicContact CD1-CG 4.38Å; T533-P535 WeakPolarHBondContact O-CD 3.49Å
536	W	86.3	Confident	75.4	Confident	7 Å²	7	35.7 Å²	35.7	3%	0.027	18%	0.18	C	C	.	.	S	Bend	trans	-140.9	167.2	177.4	-162.5	-118.2	0	0	0	111	I267 F272 I386 H387 F390 R534 T538 F543 F547	I267-W536 HydrophobicContact CD1-CB 3.85Å; F272-W536 HydrophobicContact CB-CZ2 4.46Å; F272-W536 AromaticContact CD1-CD2 3.78Å; F272-W536 HydrophobicContact CD1-CD2 3.78Å; F272-W536 AromaticContact CD1-CE2 3.68Å; F272-W536 HydrophobicContact CD1-CE3 4.15Å; F272-W536 HydrophobicContact CD1-CG 4.23Å; F272-W536 HydrophobicContact CD1-CH2 4.3Å; F272-W536 AromaticContact CD1-CZ2 3.94Å; F272-W536 HydrophobicContact CD1-CZ2 3.94Å; F272-W536 HydrophobicContact CD1-CZ3 4.42Å; F272-W536 HydrophobicContact CE1-CD2 4.08Å; F272-W536 HydrophobicContact CE1-CE3 4.22Å; F272-W536 HydrophobicContact CE1-CG 4.37Å; I386-W536 HydrophobicContact CB-CE3 4.4Å; I386-W536 HydrophobicContact CB-CZ3 4.14Å; I386-W536 HydrophobicContact CG2-CE3 3.75Å; I386-W536 HydrophobicContact CG2-CH2 4.18Å; I386-W536 HydrophobicContact CG2-CZ3 3.39Å; H387-W536 HydrophobicContact CB-CZ3 4.29Å; F390-W536 HydrophobicContact CD2-CH2 4.05Å; F390-W536 HydrophobicContact CD2-CZ3 4.5Å; F390-W536 HydrophobicContact CE2-CH2 4.35Å; R534-W536 PolarHBondContact O-N 3.17Å; W536-T538 PolarHBondContact O-N 3.34Å; W536-F543 HydrophobicContact CZ2-CE2 4.25Å; W536-F547 AromaticContact CH2-CD2 4Å; W536-F547 HydrophobicContact CH2-CD2 4Å; W536-F547 HydrophobicContact CH2-CE1 4.31Å; W536-F547 AromaticContact CH2-CE2 3.76Å; W536-F547 HydrophobicContact CH2-CE2 3.76Å; W536-F547 HydrophobicContact CH2-CG 4.36Å; W536-F547 AromaticContact CH2-CZ 3.92Å; W536-F547 HydrophobicContact CH2-CZ 3.92Å; W536-F547 HydrophobicContact CZ2-CD1 4.07Å; W536-F547 HydrophobicContact CZ2-CD2 4.34Å; W536-F547 AromaticContact CZ2-CE1 3.88Å; W536-F547 HydrophobicContact CZ2-CE1 3.88Å; W536-F547 HydrophobicContact CZ2-CE2 4.18Å; W536-F547 HydrophobicContact CZ2-CG 4.27Å; W536-F547 AromaticContact CZ2-CZ 3.94Å; W536-F547 HydrophobicContact CZ2-CZ 3.94Å
537	F	84.8	Confident	75.7	Confident	8 Å²	8	35.7 Å²	35.7	4%	0.035	18%	0.18	C	C	.	.			trans	-56.1	134.5	-176.4	-64.4	-92.2	0	0	0	111.3	H387 P524 F526 F543 W546 F547	H387-F537 AromaticContact CE1-CZ 3.74Å; H387-F537 AromaticContact ND1-CZ 3.98Å; H387-F537 AromaticContact NE2-CZ 3.94Å; P524-F537 HydrophobicContact CB-CD1 3.5Å; P524-F537 VanDerWaalsContact CB-CD1 3.5Å; P524-F537 HydrophobicContact CB-CE1 3.49Å; P524-F537 VanDerWaalsContact CB-CE1 3.49Å; P524-F537 WeakPolarHBondContact O-CA 3.3Å; F526-F537 AromaticContact CE1-CD1 3.87Å; F526-F537 HydrophobicContact CE1-CD1 3.87Å; F526-F537 AromaticContact CE1-CD2 3.82Å; F526-F537 HydrophobicContact CE1-CD2 3.82Å; F526-F537 AromaticContact CE1-CE1 3.97Å; F526-F537 HydrophobicContact CE1-CE1 3.97Å; F526-F537 AromaticContact CE1-CE2 3.92Å; F526-F537 HydrophobicContact CE1-CE2 3.92Å; F526-F537 AromaticContact CE1-CG 3.8Å; F526-F537 HydrophobicContact CE1-CG 3.8Å; F526-F537 AromaticContact CE1-CZ 3.99Å; F526-F537 HydrophobicContact CE1-CZ 3.99Å; F526-F537 HydrophobicContact CZ-CD1 4.09Å; F526-F537 HydrophobicContact CZ-CD2 4.32Å; F526-F537 AromaticContact CZ-CE1 3.71Å; F526-F537 HydrophobicContact CZ-CE1 3.71Å; F526-F537 AromaticContact CZ-CE2 3.97Å; F526-F537 HydrophobicContact CZ-CE2 3.97Å; F526-F537 HydrophobicContact CZ-CG 4.38Å; F526-F537 AromaticContact CZ-CZ 3.65Å; F526-F537 HydrophobicContact CZ-CZ 3.65Å; F537-F543 HydrophobicContact CB-CB 3.75Å; F537-F543 HydrophobicContact CB-CD2 3.97Å; F537-F543 HydrophobicContact CB-CG 4.28Å; F537-F543 HydrophobicContact CD1-CB 4.17Å; F537-F543 AromaticContact CD2-CD2 3.66Å; F537-F543 HydrophobicContact CD2-CD2 3.66Å; F537-F543 HydrophobicContact CD2-CE2 4.44Å; F537-F543 HydrophobicContact CE2-CD2 4.31Å; F537-F543 HydrophobicContact CG-CB 3.94Å; F537-F543 AromaticContact CG-CD2 3.86Å; F537-F543 HydrophobicContact CG-CD2 3.86Å; F537-F543 HydrophobicContact CG-CG 4.4Å; F537-W546 HydrophobicContact CE1-CB 3.73Å; F537-W546 HydrophobicContact CE1-CG 4.39Å; F537-W546 HydrophobicContact CZ-CB 3.88Å; F537-F547 HydrophobicContact CE2-CB 3.74Å; F537-F547 HydrophobicContact CE2-CG 4.18Å; F537-F547 HydrophobicContact CZ-CB 3.87Å
538	T	71.6	Confident	76.3	Confident	36 Å²	36	36 Å²	36	22%	0.221	18%	0.181	C	C	.	.			trans	-115.1	-16.4	174.5	60.5	0	0	0	0	112.8	P524 G525 P528 R534 W536	P524-T538 PolarHBondContact O-N 3.34Å; P524-T538 VanDerWaalsContact O-N 3.11Å; G525-T538 WeakPolarHBondContact CA-OG1 3.22Å; G525-T538 WeakPolarHBondContact O-CB 3.39Å; G525-T538 VanDerWaalsContact O-CG2 3.3Å; G525-T538 WeakPolarHBondContact O-CG2 3.48Å; G525-T538 PolarHBondContact O-OG1 2.63Å; P528-T538 HydrophobicContact CG-CG2 3.94Å; R534-T538 HydrophobicContact CG-CG2 4.16Å; W536-T538 PolarHBondContact O-N 3.34Å
539	I	72.4	Confident	77.2	Confident	18 Å²	18	36.7 Å²	36.7	9%	0.092	19%	0.188	C	C	.	.			trans	-103.5	120.9	175.6	-63.6	169.5	0	0	0	108.6	I494 T523 E541 A542 F543	I494-I539 HydrophobicContact CD1-CD1 3.95Å; T523-I539 HydrophobicContact CG2-CD1 3.32Å; T523-I539 WeakPolarHBondContact O-CD1 3.46Å; I539-E541 HydrophobicContact CG2-CB 4.36Å; I539-E541 PolarHBondContact O-N 2.7Å; I539-A542 HydrophobicContact CB-CB 4.24Å; I539-A542 HydrophobicContact CG2-CB 4.17Å; I539-A542 PolarHBondContact O-N 3.32Å; I539-F543 PolarHBondContact O-N 2.88Å
540	N	74.8	Confident	78.9	Confident	55 Å²	55	35.7 Å²	35.7	29%	0.294	18%	0.182	S	C	.	.	H	α-helix	trans	-65.9	-38.8	-172.2	-68.5	-19.5	0	0	0	112.7	P276 Y279 F543 F544	P276-N540 HydrophobicContact CB-CB 3.86Å; P276-N540 WeakPolarHBondContact CB-ND2 3.47Å; P276-N540 WeakPolarHBondContact CB-OD1 3.4Å; P276-N540 HydrophobicContact CG-CB 3.81Å; Y279-N540 HydrophobicContact CE2-CB 4Å; N540-F543 PolarHBondContact O-N 2.75Å; N540-F544 PolarHBondContact O-N 3.27Å
541	E	77.6	Confident	80.7	Confident	61 Å²	61	33 Å²	33	29%	0.285	17%	0.169	S	C	.	.	H	α-helix	trans	-63.6	-42.7	178.2	-65.8	76.6	-175.7	0	0	110.9	K278 I539 F544 L545	K278-E541 IonicContact NZ-OE1 2.65Å; K278-E541 PolarHBondContact NZ-OE1 3.07Å; I539-E541 HydrophobicContact CG2-CB 4.36Å; I539-E541 PolarHBondContact O-N 2.7Å; E541-F544 WeakPolarHBondContact O-CB 3.33Å; E541-F544 PolarHBondContact O-N 3.13Å; E541-L545 PolarHBondContact O-N 3.33Å; E541-L545 VanDerWaalsContact O-N 3.08Å
542	A	83.1	Confident	82.1	Confident	0 Å²	0	32.9 Å²	32.9	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-73.6	-37.5	177.4	0	0	0	0	0	112.4	T523 I539 F544 L545 W546	T523-A542 VanDerWaalsContact C-CB 3.49Å; T523-A542 WeakPolarHBondContact O-CB 3.38Å; I539-A542 HydrophobicContact CB-CB 4.24Å; I539-A542 HydrophobicContact CG2-CB 4.17Å; I539-A542 PolarHBondContact O-N 3.32Å; A542-F544 VanDerWaalsContact C-N 3.27Å; A542-F544 PolarHBondContact O-N 2.88Å; A542-L545 PolarHBondContact O-N 3.46Å; A542-W546 WeakPolarHBondContact O-CB 3.32Å; A542-W546 PolarHBondContact O-N 2.8Å
543	F	84.3	Confident	83.3	Confident	9 Å²	9	35.8 Å²	35.8	4%	0.039	19%	0.187	C	C	.	.	H	α-helix	trans	-55.4	-45	169.6	173.3	-113.3	0	0	0	111.5	A274 P276 W536 F537 I539 N540 F547 L548	A274-F543 VanDerWaalsContact O-CE1 3.31Å; A274-F543 WeakPolarHBondContact O-CE1 3.31Å; P276-F543 HydrophobicContact CG-CD1 4.05Å; W536-F543 HydrophobicContact CZ2-CE2 4.25Å; F537-F543 HydrophobicContact CB-CB 3.75Å; F537-F543 HydrophobicContact CB-CD2 3.97Å; F537-F543 HydrophobicContact CB-CG 4.28Å; F537-F543 HydrophobicContact CD1-CB 4.17Å; F537-F543 AromaticContact CD2-CD2 3.66Å; F537-F543 HydrophobicContact CD2-CD2 3.66Å; F537-F543 HydrophobicContact CD2-CE2 4.44Å; F537-F543 HydrophobicContact CE2-CD2 4.31Å; F537-F543 HydrophobicContact CG-CB 3.94Å; F537-F543 AromaticContact CG-CD2 3.86Å; F537-F543 HydrophobicContact CG-CD2 3.86Å; F537-F543 HydrophobicContact CG-CG 4.4Å; I539-F543 PolarHBondContact O-N 2.88Å; N540-F543 PolarHBondContact O-N 2.75Å; F543-F547 HydrophobicContact CD2-CB 4.21Å; F543-F547 HydrophobicContact CD2-CD1 4.08Å; F543-F547 HydrophobicContact CE2-CB 4.33Å; F543-F547 AromaticContact CE2-CD1 3.36Å; F543-F547 HydrophobicContact CE2-CD1 3.36Å; F543-F547 HydrophobicContact CE2-CE1 4.03Å; F543-F547 HydrophobicContact CE2-CG 4.18Å; F543-F547 AromaticContact CZ-CD1 3.98Å; F543-F547 HydrophobicContact CZ-CD1 3.98Å; F543-F547 HydrophobicContact CZ-CE1 4.48Å; F543-F547 WeakPolarHBondContact O-CB 3.47Å; F543-F547 PolarHBondContact O-N 2.82Å; F543-F547 VanDerWaalsContact O-N 3.17Å; F543-L548 HydrophobicContact CD1-CB 4.4Å; F543-L548 HydrophobicContact CE1-CB 4.06Å; F543-L548 HydrophobicContact CE1-CD2 4.04Å; F543-L548 HydrophobicContact CE1-CG 4.44Å; F543-L548 HydrophobicContact CZ-CB 4.33Å; F543-L548 PolarHBondContact O-N 3.23Å
544	F	85.1	Confident	84.6	Confident	106 Å²	106	35.5 Å²	35.5	47%	0.465	18%	0.184	S	C	.	.	I	π-helix	trans	-59.6	-51.3	176.8	-177.9	-91	0	0	0	111.5	N540 E541 A542 L548 A549	N540-F544 PolarHBondContact O-N 3.27Å; E541-F544 WeakPolarHBondContact O-CB 3.33Å; E541-F544 PolarHBondContact O-N 3.13Å; A542-F544 VanDerWaalsContact C-N 3.27Å; A542-F544 PolarHBondContact O-N 2.88Å; F544-L548 HydrophobicContact CD2-CD2 4.08Å; F544-L548 PolarHBondContact O-N 3.34Å; F544-A549 HydrophobicContact CD1-CB 4.29Å; F544-A549 HydrophobicContact CE1-CB 3.95Å; F544-A549 HydrophobicContact CZ-CB 4.1Å; F544-A549 VanDerWaalsContact O-CB 3.26Å; F544-A549 WeakPolarHBondContact O-CB 3.45Å; F544-A549 PolarHBondContact O-N 3.02Å
545	L	88.4	Confident	85.4	Confident	78 Å²	78	31.2 Å²	31.2	41%	0.408	17%	0.168	S	C	.	.	I	π-helix	trans	-66.6	-49.5	-175.2	-178.4	66.2	0	0	0	113.5	L522 E541 A542 P550	L522-L545 HydrophobicContact CD2-CD2 3.3Å; E541-L545 PolarHBondContact O-N 3.33Å; E541-L545 VanDerWaalsContact O-N 3.08Å; A542-L545 PolarHBondContact O-N 3.46Å; L545-P550 WeakPolarHBondContact O-CD 3.43Å
546	W	90.4	Very high	85.8	Confident	31 Å²	31	33.6 Å²	33.6	12%	0.117	19%	0.188	C	C	.	.	I	π-helix	trans	-88.8	-15	-169	-66.8	112.7	0	0	0	114.2	H387 P480 A481 I484 L522 F537 A542	H387-W546 PolarHBondContact NE2-O 2.78Å; P480-W546 HydrophobicContact CB-CH2 3.71Å; P480-W546 HydrophobicContact CB-CZ3 3.91Å; A481-W546 HydrophobicContact CB-CD2 3.88Å; A481-W546 HydrophobicContact CB-CE3 4.09Å; A481-W546 HydrophobicContact CB-CG 4.08Å; I484-W546 HydrophobicContact CD1-CH2 4.19Å; I484-W546 HydrophobicContact CD1-CZ2 3.63Å; L522-W546 PolarHBondContact O-NE1 2.03Å; F537-W546 HydrophobicContact CE1-CB 3.73Å; F537-W546 HydrophobicContact CE1-CG 4.39Å; F537-W546 HydrophobicContact CZ-CB 3.88Å; A542-W546 WeakPolarHBondContact O-CB 3.32Å; A542-W546 PolarHBondContact O-N 2.8Å
547	F	90.7	Very high	86.1	Confident	0 Å²	0	36.9 Å²	36.9	0%	0	20%	0.202	C	C	.	.	I	π-helix	trans	-136.6	-61.1	-171.9	-173.3	-101.4	0	0	0	113.4	F272 L273 H387 F390 L391 W536 F537 F543 P550 T551	F272-F547 WeakPolarHBondContact O-CE1 3.28Å; L273-F547 HydrophobicContact CD1-CE1 3.65Å; L273-F547 HydrophobicContact CD1-CZ 3.96Å; L273-F547 HydrophobicContact CG-CE1 4.4Å; H387-F547 AromaticContact CD2-CD2 3.79Å; F390-F547 HydrophobicContact CB-CE2 3.58Å; F390-F547 HydrophobicContact CB-CZ 4.01Å; F390-F547 HydrophobicContact CD1-CE2 4.45Å; F390-F547 HydrophobicContact CD1-CZ 4.02Å; F390-F547 HydrophobicContact CD2-CE2 4.41Å; F390-F547 HydrophobicContact CD2-CZ 4.34Å; F390-F547 AromaticContact CG-CE2 3.96Å; F390-F547 HydrophobicContact CG-CE2 3.96Å; F390-F547 AromaticContact CG-CZ 3.91Å; F390-F547 HydrophobicContact CG-CZ 3.91Å; L391-F547 HydrophobicContact CD2-CD2 4.43Å; W536-F547 AromaticContact CH2-CD2 4Å; W536-F547 HydrophobicContact CH2-CD2 4Å; W536-F547 HydrophobicContact CH2-CE1 4.31Å; W536-F547 AromaticContact CH2-CE2 3.76Å; W536-F547 HydrophobicContact CH2-CE2 3.76Å; W536-F547 HydrophobicContact CH2-CG 4.36Å; W536-F547 AromaticContact CH2-CZ 3.92Å; W536-F547 HydrophobicContact CH2-CZ 3.92Å; W536-F547 HydrophobicContact CZ2-CD1 4.07Å; W536-F547 HydrophobicContact CZ2-CD2 4.34Å; W536-F547 AromaticContact CZ2-CE1 3.88Å; W536-F547 HydrophobicContact CZ2-CE1 3.88Å; W536-F547 HydrophobicContact CZ2-CE2 4.18Å; W536-F547 HydrophobicContact CZ2-CG 4.27Å; W536-F547 AromaticContact CZ2-CZ 3.94Å; W536-F547 HydrophobicContact CZ2-CZ 3.94Å; F537-F547 HydrophobicContact CE2-CB 3.74Å; F537-F547 HydrophobicContact CE2-CG 4.18Å; F537-F547 HydrophobicContact CZ-CB 3.87Å; F543-F547 HydrophobicContact CD2-CB 4.21Å; F543-F547 HydrophobicContact CD2-CD1 4.08Å; F543-F547 HydrophobicContact CE2-CB 4.33Å; F543-F547 AromaticContact CE2-CD1 3.36Å; F543-F547 HydrophobicContact CE2-CD1 3.36Å; F543-F547 HydrophobicContact CE2-CE1 4.03Å; F543-F547 HydrophobicContact CE2-CG 4.18Å; F543-F547 AromaticContact CZ-CD1 3.98Å; F543-F547 HydrophobicContact CZ-CD1 3.98Å; F543-F547 HydrophobicContact CZ-CE1 4.48Å; F543-F547 WeakPolarHBondContact O-CB 3.47Å; F543-F547 PolarHBondContact O-N 2.82Å; F543-F547 VanDerWaalsContact O-N 3.17Å; F547-P550 WeakPolarHBondContact O-CD 3.43Å; F547-T551 WeakPolarHBondContact O-CB 3.42Å; F547-T551 PolarHBondContact O-N 3.02Å; F547-T551 PolarHBondContact O-OG1 3.43Å
548	L	87.8	Confident	86.4	Confident	7 Å²	7	36.6 Å²	36.6	4%	0.037	20%	0.201	C	C	.	.	I	π-helix	trans	-67.2	-47.9	-170.5	-173.8	63.3	0	0	0	112	L275 F543 F544 T551 T552	L275-L548 HydrophobicContact CD2-CD2 3.62Å; F543-L548 HydrophobicContact CD1-CB 4.4Å; F543-L548 HydrophobicContact CE1-CB 4.06Å; F543-L548 HydrophobicContact CE1-CD2 4.04Å; F543-L548 HydrophobicContact CE1-CG 4.44Å; F543-L548 HydrophobicContact CZ-CB 4.33Å; F543-L548 PolarHBondContact O-N 3.23Å; F544-L548 HydrophobicContact CD2-CD2 4.08Å; F544-L548 PolarHBondContact O-N 3.34Å; L548-T551 PolarHBondContact O-N 3.35Å; L548-T552 VanDerWaalsContact O-CB 3.3Å; L548-T552 WeakPolarHBondContact O-CB 3.27Å; L548-T552 PolarHBondContact O-N 3.19Å; L548-T552 PolarHBondContact O-OG1 3.18Å
549	A	88.6	Confident	87.3	Confident	29 Å²	29	36.7 Å²	36.7	24%	0.24	20%	0.203	C	C	.	.	H	α-helix	trans	-63.4	-49.9	-179.1	0	0	0	0	0	112.5	F544 T551 T552 V553	F544-A549 HydrophobicContact CD1-CB 4.29Å; F544-A549 HydrophobicContact CE1-CB 3.95Å; F544-A549 HydrophobicContact CZ-CB 4.1Å; F544-A549 VanDerWaalsContact O-CB 3.26Å; F544-A549 WeakPolarHBondContact O-CB 3.45Å; F544-A549 PolarHBondContact O-N 3.02Å; A549-T551 VanDerWaalsContact C-N 3.32Å; A549-T551 PolarHBondContact O-N 3.36Å; A549-T552 PolarHBondContact O-N 2.74Å; A549-V553 VanDerWaalsContact O-CG2 3.3Å; A549-V553 WeakPolarHBondContact O-CG2 3.16Å; A549-V553 PolarHBondContact O-N 2.92Å
550	P	90.8	Very high	88	Confident	23 Å²	23	40.8 Å²	40.8	15%	0.149	23%	0.225	C	C	.	.	H	α-helix	trans	-56	-45.4	173.4	-25.3	33.3	0	0	0	112.7	F477 L545 F547 V553 L554	F477-P550 HydrophobicContact CD1-CG 4.21Å; F477-P550 HydrophobicContact CE1-CB 4.42Å; F477-P550 HydrophobicContact CE1-CG 3.97Å; L545-P550 WeakPolarHBondContact O-CD 3.43Å; F547-P550 WeakPolarHBondContact O-CD 3.43Å; P550-V553 PolarHBondContact O-N 2.81Å; P550-L554 VanDerWaalsContact O-CG 3.22Å; P550-L554 WeakPolarHBondContact O-CG 3.48Å; P550-L554 PolarHBondContact O-N 3.28Å
551	T	90.7	Very high	88.6	Confident	0 Å²	0	38.2 Å²	38.2	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-65.7	-44.8	-177.8	-60.4	0	0	0	0	112.2	L273 F394 F547 L548 A549 V553 L554 L555	L273-T551 HydrophobicContact CD1-CG2 4.4Å; F394-T551 HydrophobicContact CD1-CG2 3.84Å; F394-T551 HydrophobicContact CD2-CG2 3.62Å; F394-T551 HydrophobicContact CE1-CG2 3.58Å; F394-T551 HydrophobicContact CE2-CG2 3.32Å; F394-T551 HydrophobicContact CG-CG2 3.91Å; F394-T551 HydrophobicContact CZ-CG2 3.33Å; F547-T551 WeakPolarHBondContact O-CB 3.42Å; F547-T551 PolarHBondContact O-N 3.02Å; F547-T551 PolarHBondContact O-OG1 3.43Å; L548-T551 PolarHBondContact O-N 3.35Å; A549-T551 VanDerWaalsContact C-N 3.32Å; A549-T551 PolarHBondContact O-N 3.36Å; T551-V553 VanDerWaalsContact C-N 3.35Å; T551-V553 PolarHBondContact O-N 2.79Å; T551-L554 PolarHBondContact O-N 2.9Å; T551-L555 HydrophobicContact CG2-CD1 3.89Å; T551-L555 HydrophobicContact CG2-CG 4.44Å; T551-L555 WeakPolarHBondContact O-CB 3.39Å; T551-L555 WeakPolarHBondContact O-CG 3.34Å; T551-L555 PolarHBondContact O-N 3.14Å
552	T	89.3	Confident	89.1	Confident	55 Å²	55	36.9 Å²	36.9	34%	0.337	21%	0.206	S	C	.	.	H	α-helix	trans	-63.4	-40.7	177.9	-62.5	0	0	0	0	111.4	L548 A549 L555 A556	L548-T552 VanDerWaalsContact O-CB 3.3Å; L548-T552 WeakPolarHBondContact O-CB 3.27Å; L548-T552 PolarHBondContact O-N 3.19Å; L548-T552 PolarHBondContact O-OG1 3.18Å; A549-T552 PolarHBondContact O-N 2.74Å; T552-L555 PolarHBondContact O-N 2.84Å; T552-A556 VanDerWaalsContact O-CB 3.27Å; T552-A556 WeakPolarHBondContact O-CB 3.42Å; T552-A556 PolarHBondContact O-N 2.87Å
553	V	91.2	Very high	89.3	Confident	104 Å²	104	41.9 Å²	41.9	63%	0.63	23%	0.231	S	C	*	.	H	α-helix	trans	-62	-44.6	175.2	170.8	0	0	0	0	111.1	A549 P550 T551 A556 F557	A549-V553 VanDerWaalsContact O-CG2 3.3Å; A549-V553 WeakPolarHBondContact O-CG2 3.16Å; A549-V553 PolarHBondContact O-N 2.92Å; P550-V553 PolarHBondContact O-N 2.81Å; T551-V553 VanDerWaalsContact C-N 3.35Å; T551-V553 PolarHBondContact O-N 2.79Å; V553-A556 PolarHBondContact O-N 3.37Å; V553-F557 PolarHBondContact O-N 3.45Å
554	L	92.2	Very high	89.2	Confident	25 Å²	25	43.6 Å²	43.6	13%	0.131	24%	0.24	C	C	.	.	H	α-helix	trans	-62.8	-43.7	177.2	-68.2	173.3	0	0	0	112	F394 I395 L398 P550 T551 F557 N558	F394-L554 HydrophobicContact CB-CB 4.44Å; F394-L554 HydrophobicContact CB-CD1 3.7Å; I395-L554 HydrophobicContact CG1-CD1 3.99Å; L398-L554 HydrophobicContact CB-CD2 4.11Å; L398-L554 HydrophobicContact CD1-CD2 4.17Å; L398-L554 HydrophobicContact CD2-CD2 3.62Å; L398-L554 HydrophobicContact CG-CD2 4.15Å; P550-L554 VanDerWaalsContact O-CG 3.22Å; P550-L554 WeakPolarHBondContact O-CG 3.48Å; P550-L554 PolarHBondContact O-N 3.28Å; T551-L554 PolarHBondContact O-N 2.9Å; L554-F557 PolarHBondContact O-N 3.34Å; L554-N558 PolarHBondContact O-N 2.76Å
555	L	91.2	Very high	89.1	Confident	3 Å²	3	38.6 Å²	38.6	2%	0.016	22%	0.218	C	C	.	.	H	α-helix	trans	-66.2	-44.1	177.8	-76.1	170.1	0	0	0	111.9	F394 T551 T552 F557 N558 C559 W614 I618	F394-L555 HydrophobicContact CD1-CD1 4.44Å; F394-L555 HydrophobicContact CD1-CD2 4.04Å; F394-L555 HydrophobicContact CD1-CG 4.05Å; F394-L555 HydrophobicContact CE1-CD1 3.9Å; F394-L555 HydrophobicContact CE1-CD2 3.91Å; F394-L555 HydrophobicContact CE1-CG 3.96Å; T551-L555 HydrophobicContact CG2-CD1 3.89Å; T551-L555 HydrophobicContact CG2-CG 4.44Å; T551-L555 WeakPolarHBondContact O-CB 3.39Å; T551-L555 WeakPolarHBondContact O-CG 3.34Å; T551-L555 PolarHBondContact O-N 3.14Å; T552-L555 PolarHBondContact O-N 2.84Å; L555-F557 VanDerWaalsContact C-N 3.29Å; L555-F557 PolarHBondContact O-N 3.27Å; L555-N558 CarbonylContact O-C 3.5Å; L555-N558 PolarHBondContact O-N 3.27Å; L555-N558 VanDerWaalsContact O-N 3.09Å; L555-C559 PolarHBondContact O-N 2.86Å; L555-C559 PolarHBondContact O-SG 3.23Å; L555-W614 HydrophobicContact CD1-CB 3.73Å; L555-W614 HydrophobicContact CD2-CB 3.87Å; L555-W614 HydrophobicContact CG-CB 4.46Å; L555-I618 HydrophobicContact CD1-CD1 3.67Å
556	A	91.2	Very high	88.8	Confident	51 Å²	51	35.5 Å²	35.5	42%	0.421	21%	0.205	S	C	.	.	H	α-helix	trans	-58	-43.7	175.8	0	0	0	0	0	111.1	T552 V553 N558 C559 L560	T552-A556 VanDerWaalsContact O-CB 3.27Å; T552-A556 WeakPolarHBondContact O-CB 3.42Å; T552-A556 PolarHBondContact O-N 2.87Å; V553-A556 PolarHBondContact O-N 3.37Å; A556-N558 PolarHBondContact O-N 3.04Å; A556-C559 WeakPolarHBondContact O-CB 3.42Å; A556-C559 PolarHBondContact O-N 3.15Å; A556-L560 WeakPolarHBondContact O-CG 3.49Å; A556-L560 PolarHBondContact O-N 2.66Å; A556-L560 VanDerWaalsContact O-N 3.07Å
557	F	91.4	Very high	88.2	Confident	76 Å²	76	36.1 Å²	36.1	33%	0.333	21%	0.212	S	C	.	.	H	α-helix	trans	-60.9	-44.9	173.5	-179.3	-89.1	0	0	0	112.1	L398 I402 L405 V553 L554 L555 C559 L560 V561	L398-F557 HydrophobicContact CD1-CB 4.46Å; L398-F557 HydrophobicContact CD1-CD1 3.18Å; L398-F557 HydrophobicContact CD1-CE1 3.46Å; L398-F557 VanDerWaalsContact CD1-CE1 3.46Å; L398-F557 HydrophobicContact CD1-CG 3.93Å; L398-F557 HydrophobicContact CD1-CZ 4.41Å; I402-F557 HydrophobicContact CG1-CE1 3.9Å; I402-F557 HydrophobicContact CG1-CZ 4.05Å; L405-F557 HydrophobicContact CD1-CZ 3.93Å; V553-F557 PolarHBondContact O-N 3.45Å; L554-F557 PolarHBondContact O-N 3.34Å; L555-F557 VanDerWaalsContact C-N 3.29Å; L555-F557 PolarHBondContact O-N 3.27Å; F557-C559 VanDerWaalsContact C-N 3.28Å; F557-C559 PolarHBondContact O-N 3.25Å; F557-L560 WeakPolarHBondContact O-CB 3.44Å; F557-L560 PolarHBondContact O-N 2.64Å; F557-L560 VanDerWaalsContact O-N 3.15Å; F557-V561 HydrophobicContact CD1-CG2 3.73Å; F557-V561 HydrophobicContact CE1-CG2 3.37Å; F557-V561 HydrophobicContact CZ-CG2 3.89Å; F557-V561 VanDerWaalsContact O-CG2 3.27Å; F557-V561 WeakPolarHBondContact O-CG2 3.18Å; F557-V561 PolarHBondContact O-N 3.04Å
558	N	91.3	Very high	87.5	Confident	2 Å²	2	36.5 Å²	36.5	1%	0.011	21%	0.214	C	C	.	.	H	α-helix	trans	-62.9	-32.8	177.1	-73.1	-18.2	0	0	0	112.9	M397 L398 L554 L555 A556 V561 L562 L610	M397-N558 WeakPolarHBondContact CB-ND2 3.25Å; L398-N558 WeakPolarHBondContact CA-OD1 3.24Å; L554-N558 PolarHBondContact O-N 2.76Å; L555-N558 CarbonylContact O-C 3.5Å; L555-N558 PolarHBondContact O-N 3.27Å; L555-N558 VanDerWaalsContact O-N 3.09Å; A556-N558 PolarHBondContact O-N 3.04Å; N558-V561 PolarHBondContact O-N 3.11Å; N558-L562 WeakPolarHBondContact O-CB 3.48Å; N558-L562 PolarHBondContact O-N 3.14Å; N558-L610 HydrophobicContact CB-CB 4.32Å; N558-L610 WeakPolarHBondContact CB-O 3.32Å; N558-L610 PolarHBondContact ND2-O 3.44Å
559	C	90.6	Very high	87	Confident	38 Å²	38	37.2 Å²	37.2	26%	0.257	22%	0.218	S	C	.	.	H	α-helix	trans	-62.5	-48.5	171.4	-60.3	0	0	0	0	111.4	L555 A556 F557 V561 L562 I563 I615	L555-C559 PolarHBondContact O-N 2.86Å; L555-C559 PolarHBondContact O-SG 3.23Å; A556-C559 WeakPolarHBondContact O-CB 3.42Å; A556-C559 PolarHBondContact O-N 3.15Å; F557-C559 VanDerWaalsContact C-N 3.28Å; F557-C559 PolarHBondContact O-N 3.25Å; C559-V561 VanDerWaalsContact C-N 3.29Å; C559-V561 PolarHBondContact O-N 2.86Å; C559-L562 WeakPolarHBondContact O-CB 3.07Å; C559-L562 PolarHBondContact O-N 3.42Å; C559-L562 VanDerWaalsContact O-N 3.12Å; C559-I563 WeakPolarHBondContact O-CG1 3.17Å; C559-I563 PolarHBondContact O-N 3.33Å; C559-I615 WeakPolarHBondContact SG-CD1 3.06Å
560	L	88.5	Confident	86.3	Confident	104 Å²	104	41.7 Å²	41.7	55%	0.545	23%	0.229	S	C	.	.	H	α-helix	trans	-59.5	-44.3	178.4	-67.8	172.9	0	0	0	110.3	A556 F557 L562 I563 I564	A556-L560 WeakPolarHBondContact O-CG 3.49Å; A556-L560 PolarHBondContact O-N 2.66Å; A556-L560 VanDerWaalsContact O-N 3.07Å; F557-L560 WeakPolarHBondContact O-CB 3.44Å; F557-L560 PolarHBondContact O-N 2.64Å; F557-L560 VanDerWaalsContact O-N 3.15Å; L560-L562 VanDerWaalsContact C-N 3.34Å; L560-L562 PolarHBondContact O-N 3.33Å; L560-I563 PolarHBondContact O-N 2.76Å; L560-I564 WeakPolarHBondContact O-CB 3.15Å; L560-I564 WeakPolarHBondContact O-CD1 3.31Å; L560-I564 WeakPolarHBondContact O-CG1 3.45Å; L560-I564 PolarHBondContact O-N 3.23Å
561	V	87	Confident	85.4	Confident	1 Å²	1	41.1 Å²	41.1	1%	0.006	22%	0.224	C	C	.	.	H	α-helix	trans	-56.9	-48	173.6	174	0	0	0	0	111.1	G401 L404 L405 F557 N558 C559 I563 I564 V565 L610	G401-V561 WeakPolarHBondContact O-CG1 3.24Å; L404-V561 HydrophobicContact CB-CG1 4.5Å; L405-V561 HydrophobicContact CD1-CG2 3.67Å; L405-V561 HydrophobicContact CD2-CG1 4.3Å; L405-V561 HydrophobicContact CD2-CG2 4.47Å; L405-V561 HydrophobicContact CG-CB 4.44Å; L405-V561 HydrophobicContact CG-CG1 4.01Å; L405-V561 HydrophobicContact CG-CG2 3.95Å; F557-V561 HydrophobicContact CD1-CG2 3.73Å; F557-V561 HydrophobicContact CE1-CG2 3.37Å; F557-V561 HydrophobicContact CZ-CG2 3.89Å; F557-V561 VanDerWaalsContact O-CG2 3.27Å; F557-V561 WeakPolarHBondContact O-CG2 3.18Å; F557-V561 PolarHBondContact O-N 3.04Å; N558-V561 PolarHBondContact O-N 3.11Å; C559-V561 VanDerWaalsContact C-N 3.29Å; C559-V561 PolarHBondContact O-N 2.86Å; V561-I563 VanDerWaalsContact C-N 3.33Å; V561-I563 PolarHBondContact O-N 3.17Å; V561-I564 PolarHBondContact O-N 2.78Å; V561-V565 HydrophobicContact CG1-CG2 4.07Å; V561-V565 WeakPolarHBondContact O-CB 3.06Å; V561-V565 VanDerWaalsContact O-CG2 3.28Å; V561-V565 WeakPolarHBondContact O-CG2 3.44Å; V561-V565 PolarHBondContact O-N 2.82Å; V561-L610 HydrophobicContact CG1-CD1 4.17Å
562	L	88.3	Confident	84.4	Confident	33 Å²	33	43.7 Å²	43.7	17%	0.173	24%	0.237	C	C	.	.	H	α-helix	trans	-60.5	-43	180	-179.9	67.1	0	0	0	111.5	N558 C559 L560 G566 L606 S607 L610	N558-L562 WeakPolarHBondContact O-CB 3.48Å; N558-L562 PolarHBondContact O-N 3.14Å; C559-L562 WeakPolarHBondContact O-CB 3.07Å; C559-L562 PolarHBondContact O-N 3.42Å; C559-L562 VanDerWaalsContact O-N 3.12Å; L560-L562 VanDerWaalsContact C-N 3.34Å; L560-L562 PolarHBondContact O-N 3.33Å; L562-G566 WeakPolarHBondContact O-CA 3.48Å; L562-G566 PolarHBondContact O-N 2.87Å; L562-L606 HydrophobicContact CD1-CB 4.02Å; L562-S607 WeakPolarHBondContact CD2-OG 3.49Å; L562-L610 HydrophobicContact CB-CD1 3.93Å; L562-L610 HydrophobicContact CD1-CD1 4.12Å
563	I	85.5	Confident	83.5	Confident	105 Å²	105	41.8 Å²	41.8	54%	0.538	23%	0.226	S	C	.	.	H	α-helix	trans	-64	-46.9	177	-66.8	165.2	0	0	0	110.3	C559 L560 V561 G566 T567	C559-I563 WeakPolarHBondContact O-CG1 3.17Å; C559-I563 PolarHBondContact O-N 3.33Å; L560-I563 PolarHBondContact O-N 2.76Å; V561-I563 VanDerWaalsContact C-N 3.33Å; V561-I563 PolarHBondContact O-N 3.17Å; I563-G566 PolarHBondContact O-N 2.94Å; I563-T567 HydrophobicContact CG2-CG2 4.35Å; I563-T567 WeakPolarHBondContact O-CB 3.44Å; I563-T567 WeakPolarHBondContact O-CG2 3.46Å; I563-T567 PolarHBondContact O-N 3.37Å; I563-T567 PolarHBondContact O-OG1 2.99Å
564	I	83.1	Confident	82.4	Confident	45 Å²	45	40 Å²	40	23%	0.231	21%	0.211	C	C	.	.	H	α-helix	trans	-63.4	-49.1	-179.6	-66.8	162.1	0	0	0	110.8	L405 C414 L560 V561 T567 H568	L405-I564 HydrophobicContact CD2-CB 4.19Å; L405-I564 HydrophobicContact CD2-CD1 4.24Å; L405-I564 HydrophobicContact CD2-CG2 3.83Å; C414-I564 HydrophobicContact CB-CD1 4.37Å; C414-I564 HydrophobicContact CB-CG2 4.09Å; C414-I564 WeakPolarHBondContact SG-CD1 3.43Å; L560-I564 WeakPolarHBondContact O-CB 3.15Å; L560-I564 WeakPolarHBondContact O-CD1 3.31Å; L560-I564 WeakPolarHBondContact O-CG1 3.45Å; L560-I564 PolarHBondContact O-N 3.23Å; V561-I564 PolarHBondContact O-N 2.78Å; I564-T567 PolarHBondContact O-OG1 3.42Å; I564-H568 WeakPolarHBondContact O-CB 3.41Å; I564-H568 PolarHBondContact O-N 2.78Å
565	V	83.1	Confident	81	Confident	1 Å²	1	39.6 Å²	39.6	1%	0.006	21%	0.209	C	C	.	.	H	α-helix	trans	-67.7	-40.8	180	173.7	0	0	0	0	110.6	L404 L405 F408 V561 H568 I569 L606	L404-V565 HydrophobicContact CB-CG2 4.1Å; L405-V565 HydrophobicContact CD2-CG2 4.42Å; F408-V565 HydrophobicContact CD2-CG1 3.8Å; F408-V565 HydrophobicContact CD2-CG2 4.13Å; F408-V565 HydrophobicContact CE2-CG1 3.68Å; F408-V565 HydrophobicContact CZ-CG1 4.36Å; V561-V565 HydrophobicContact CG1-CG2 4.07Å; V561-V565 WeakPolarHBondContact O-CB 3.06Å; V561-V565 VanDerWaalsContact O-CG2 3.28Å; V561-V565 WeakPolarHBondContact O-CG2 3.44Å; V561-V565 PolarHBondContact O-N 2.82Å; V565-H568 PolarHBondContact O-N 3.28Å; V565-I569 HydrophobicContact CG1-CD1 3.73Å; V565-I569 HydrophobicContact CG1-CG1 4.36Å; V565-I569 VanDerWaalsContact O-CG1 3.24Å; V565-I569 WeakPolarHBondContact O-CG1 3.18Å; V565-I569 PolarHBondContact O-N 2.91Å; V565-L606 HydrophobicContact CG1-CD1 3.99Å
566	G	83	Confident	79.8	Confident	13 Å²	13	45.2 Å²	45.2	13%	0.134	24%	0.235	C	C	.	.	H	α-helix	trans	-63.5	-45.8	177.8	0	0	0	0	0	112.8	L562 I563 H568 I569 W570 M599	L562-G566 WeakPolarHBondContact O-CA 3.48Å; L562-G566 PolarHBondContact O-N 2.87Å; I563-G566 PolarHBondContact O-N 2.94Å; G566-H568 VanDerWaalsContact C-N 3.32Å; G566-H568 PolarHBondContact O-N 3.37Å; G566-I569 PolarHBondContact O-N 3.09Å; G566-W570 WeakPolarHBondContact O-CB 3.24Å; G566-W570 PolarHBondContact O-N 2.65Å; G566-M599 WeakPolarHBondContact O-CE 3.25Å
567	T	77	Confident	77.9	Confident	43 Å²	43	43.7 Å²	43.7	26%	0.264	22%	0.22	S	C	.	.	H	α-helix	trans	-62.8	-38.6	174.9	51.9	0	0	0	0	111.8	I563 I564 W570 F571	I563-T567 HydrophobicContact CG2-CG2 4.35Å; I563-T567 WeakPolarHBondContact O-CB 3.44Å; I563-T567 WeakPolarHBondContact O-CG2 3.46Å; I563-T567 PolarHBondContact O-N 3.37Å; I563-T567 PolarHBondContact O-OG1 2.99Å; I564-T567 PolarHBondContact O-OG1 3.42Å; T567-W570 WeakPolarHBondContact O-CB 3.46Å; T567-W570 PolarHBondContact O-N 3.18Å; T567-F571 WeakPolarHBondContact O-CB 3.4Å; T567-F571 PolarHBondContact O-N 3.34Å
568	H	75.6	Confident	75.9	Confident	8 Å²	8	44.4 Å²	44.4	4%	0.037	23%	0.227	C	C	.	.	H	α-helix	trans	-65.9	-46.6	175.9	-172	-86.4	0	0	0	112.4	F408 T413 I564 V565 G566 W570 F571 L572	F408-H568 AromaticContact CD1-CE1 3.88Å; F408-H568 AromaticContact CD1-ND1 3.45Å; F408-H568 WeakPolarHBondContact CD1-ND1 3.3Å; T413-H568 VanDerWaalsContact CG2-CD2 3.47Å; T413-H568 WeakPolarHBondContact CG2-CD2 3.36Å; I564-H568 WeakPolarHBondContact O-CB 3.41Å; I564-H568 PolarHBondContact O-N 2.78Å; V565-H568 PolarHBondContact O-N 3.28Å; G566-H568 VanDerWaalsContact C-N 3.32Å; G566-H568 PolarHBondContact O-N 3.37Å; H568-W570 VanDerWaalsContact C-N 3.27Å; H568-W570 PolarHBondContact O-N 3.08Å; H568-F571 PolarHBondContact O-N 3.01Å; H568-L572 VanDerWaalsContact CE1-CD1 3.45Å; H568-L572 WeakPolarHBondContact CE1-CD1 3.39Å; H568-L572 WeakPolarHBondContact O-CG 3.26Å; H568-L572 PolarHBondContact O-N 3.38Å
569	I	76.8	Confident	74	Confident	23 Å²	23	49.6 Å²	49.6	12%	0.118	25%	0.254	C	S	.	.	H	α-helix	trans	-60.8	-40.9	176	-67.4	167.4	0	0	0	110.3	F408 V565 G566 L572 S573 M599 I602 L606	F408-I569 HydrophobicContact CE1-CG1 4.2Å; F408-I569 HydrophobicContact CZ-CD1 4.28Å; F408-I569 HydrophobicContact CZ-CG1 4.2Å; V565-I569 HydrophobicContact CG1-CD1 3.73Å; V565-I569 HydrophobicContact CG1-CG1 4.36Å; V565-I569 VanDerWaalsContact O-CG1 3.24Å; V565-I569 WeakPolarHBondContact O-CG1 3.18Å; V565-I569 PolarHBondContact O-N 2.91Å; G566-I569 PolarHBondContact O-N 3.09Å; I569-L572 PolarHBondContact O-N 3.09Å; I569-S573 WeakPolarHBondContact O-CB 3.19Å; I569-S573 PolarHBondContact O-N 2.98Å; I569-M599 HydrophobicContact CG2-CE 4.38Å; I569-M599 HydrophobicContact CG2-CG 3.71Å; I569-I602 HydrophobicContact CD1-CG2 4.07Å; I569-L606 HydrophobicContact CD1-CD1 3.94Å
570	W	75.2	Confident	71.9	Confident	122 Å²	122	51.5 Å²	51.5	46%	0.462	27%	0.268	S	S	.	.	H	α-helix	trans	-60	-47.3	176.1	-178.2	73.8	0	0	0	111.9	G566 T567 H568 S573 Q574 M599	G566-W570 WeakPolarHBondContact O-CB 3.24Å; G566-W570 PolarHBondContact O-N 2.65Å; T567-W570 WeakPolarHBondContact O-CB 3.46Å; T567-W570 PolarHBondContact O-N 3.18Å; H568-W570 VanDerWaalsContact C-N 3.27Å; H568-W570 PolarHBondContact O-N 3.08Å; W570-S573 WeakPolarHBondContact O-CB 3.27Å; W570-S573 PolarHBondContact O-N 3.45Å; W570-Q574 HydrophobicContact CD2-CG 4.43Å; W570-Q574 HydrophobicContact CZ2-CG 4.2Å; W570-Q574 PolarHBondContact O-N 3.13Å; W570-M599 HydrophobicContact CB-CE 3.49Å; W570-M599 VanDerWaalsContact CB-CE 3.49Å; W570-M599 HydrophobicContact CG-CE 4.22Å
571	F	70.7	Confident	69.8	Low	11 Å²	11	51.1 Å²	51.1	5%	0.048	27%	0.27	C	S	.	.	H	α-helix	trans	-63.6	-43.8	179.8	-179.3	-95.3	0	0	0	112.2	Y420 N436 F439 I440 T567 H568 S573 Q574 N575	Y420-F571 HydrophobicContact CD1-CE2 4.27Å; Y420-F571 HydrophobicContact CE1-CD2 4.18Å; Y420-F571 AromaticContact CE1-CE2 3.76Å; Y420-F571 HydrophobicContact CE1-CE2 3.76Å; Y420-F571 AromaticContact CZ-CE2 3.95Å; N436-F571 VanDerWaalsContact OD1-CE2 3.31Å; N436-F571 WeakPolarHBondContact OD1-CE2 3.25Å; N436-F571 WeakPolarHBondContact OD1-CZ 3.31Å; F439-F571 HydrophobicContact CD1-CD1 4.36Å; F439-F571 AromaticContact CD1-CE1 3.42Å; F439-F571 HydrophobicContact CD1-CE1 3.42Å; F439-F571 VanDerWaalsContact CD1-CE1 3.42Å; F439-F571 HydrophobicContact CD1-CE2 4.44Å; F439-F571 AromaticContact CD1-CZ 3.45Å; F439-F571 HydrophobicContact CD1-CZ 3.45Å; F439-F571 VanDerWaalsContact CD1-CZ 3.45Å; F439-F571 AromaticContact CE1-CD1 3.89Å; F439-F571 HydrophobicContact CE1-CD1 3.89Å; F439-F571 AromaticContact CE1-CE1 3.39Å; F439-F571 HydrophobicContact CE1-CE1 3.39Å; F439-F571 HydrophobicContact CE1-CE2 4.48Å; F439-F571 AromaticContact CE1-CZ 3.71Å; F439-F571 HydrophobicContact CE1-CZ 3.71Å; F439-F571 HydrophobicContact CG-CZ 4.39Å; I440-F571 HydrophobicContact CG1-CE1 3.75Å; I440-F571 HydrophobicContact CG1-CZ 3.89Å; T567-F571 WeakPolarHBondContact O-CB 3.4Å; T567-F571 PolarHBondContact O-N 3.34Å; H568-F571 PolarHBondContact O-N 3.01Å; F571-S573 VanDerWaalsContact C-N 3.3Å; F571-S573 PolarHBondContact O-N 2.82Å; F571-Q574 PolarHBondContact O-N 2.79Å; F571-N575 WeakPolarHBondContact CE1-ND2 3.2Å; F571-N575 VanDerWaalsContact CZ-ND2 3.32Å; F571-N575 WeakPolarHBondContact CZ-ND2 3.38Å; F571-N575 PolarHBondContact O-N 3.36Å; F571-N575 PolarHBondContact O-ND2 3.19Å
572	L	70.1	Confident	67.9	Low	54 Å²	54	54.2 Å²	54.2	28%	0.283	30%	0.302	S	S	.	.	H	α-helix	trans	-59.2	-42.6	173.4	-73.8	178	0	0	0	111.8	M447 H568 I569 Q574 N575 E576	M447-L572 HydrophobicContact CE-CD1 4.46Å; H568-L572 VanDerWaalsContact CE1-CD1 3.45Å; H568-L572 WeakPolarHBondContact CE1-CD1 3.39Å; H568-L572 WeakPolarHBondContact O-CG 3.26Å; H568-L572 PolarHBondContact O-N 3.38Å; I569-L572 PolarHBondContact O-N 3.09Å; L572-Q574 PolarHBondContact O-N 2.86Å; L572-N575 PolarHBondContact O-N 3.06Å; L572-E576 PolarHBondContact O-N 2.75Å; L572-E576 VanDerWaalsContact O-N 3.11Å
573	S	71.5	Confident	65.8	Low	15 Å²	15	58.2 Å²	58.2	11%	0.105	32%	0.322	C	S	.	.	H	α-helix	trans	-64.2	-37.8	179.5	-175.3	0	0	0	0	113	I569 W570 F571 N575 L577	I569-S573 WeakPolarHBondContact O-CB 3.19Å; I569-S573 PolarHBondContact O-N 2.98Å; W570-S573 WeakPolarHBondContact O-CB 3.27Å; W570-S573 PolarHBondContact O-N 3.45Å; F571-S573 VanDerWaalsContact C-N 3.3Å; F571-S573 PolarHBondContact O-N 2.82Å; S573-N575 VanDerWaalsContact C-N 3.32Å; S573-L577 WeakPolarHBondContact O-CD1 2.95Å; S573-L577 PolarHBondContact O-N 2.87Å
574	Q	67.6	Low	63.5	Low	67 Å²	67	55.9 Å²	55.9	31%	0.313	32%	0.324	S	S	.	.	H	α-helix	trans	-67.5	-34.8	177.6	-75.5	-71.6	-0.3	0	0	111.9	W570 F571 L572 L577 N578	W570-Q574 HydrophobicContact CD2-CG 4.43Å; W570-Q574 HydrophobicContact CZ2-CG 4.2Å; W570-Q574 PolarHBondContact O-N 3.13Å; F571-Q574 PolarHBondContact O-N 2.79Å; L572-Q574 PolarHBondContact O-N 2.86Å; Q574-L577 WeakPolarHBondContact O-CB 3.39Å; Q574-L577 PolarHBondContact O-N 2.76Å; Q574-N578 PolarHBondContact O-N 3.28Å; Q574-N578 VanDerWaalsContact O-N 3.13Å; Q574-N578 PolarHBondContact O-ND2 3.48Å
575	N	61.9	Low	61.3	Low	16 Å²	16	59.2 Å²	59.2	9%	0.086	35%	0.351	C	S	.	.	H	α-helix	trans	-78.7	-34.5	-178.2	-68.8	-29	0	0	0	113.3	I440 F571 L572 S573 L577 N578 I579	I440-N575 HydrophobicContact CD1-CB 4.38Å; I440-N575 VanDerWaalsContact CD1-ND2 3.3Å; I440-N575 WeakPolarHBondContact CD1-ND2 3.35Å; I440-N575 WeakPolarHBondContact CG1-ND2 3.36Å; F571-N575 WeakPolarHBondContact CE1-ND2 3.2Å; F571-N575 VanDerWaalsContact CZ-ND2 3.32Å; F571-N575 WeakPolarHBondContact CZ-ND2 3.38Å; F571-N575 PolarHBondContact O-N 3.36Å; F571-N575 PolarHBondContact O-ND2 3.19Å; L572-N575 PolarHBondContact O-N 3.06Å; S573-N575 VanDerWaalsContact C-N 3.32Å; N575-L577 PolarHBondContact O-N 3.45Å; N575-N578 PolarHBondContact O-N 2.72Å; N575-I579 WeakPolarHBondContact O-CG1 3.15Å; N575-I579 PolarHBondContact O-N 3.48Å
576	E	65.5	Low	59.2	Low	122 Å²	122	68.5 Å²	68.5	57%	0.57	39%	0.394	S	S	*	.	H	α-helix	trans	-57.6	-39	169.1	-83	-173.4	168.4	0	0	111.2	L572 I579 S580 Q595	L572-E576 PolarHBondContact O-N 2.75Å; L572-E576 VanDerWaalsContact O-N 3.11Å; E576-I579 PolarHBondContact O-N 2.74Å; E576-S580 PolarHBondContact O-N 3.27Å; E576-S580 VanDerWaalsContact O-N 3.15Å; E576-S580 PolarHBondContact O-OG 3.1Å; E576-Q595 PolarHBondContact OE2-NE2 2.72Å
577	L	52	Low	57.3	Low	19 Å²	19	72.4 Å²	72.4	10%	0.099	42%	0.419	C	S	.	.	H	α-helix	trans	-64.4	-44	175.4	-77.3	157.7	0	0	0	112.1	S573 Q574 N575 I579 S580 T581 F592	S573-L577 WeakPolarHBondContact O-CD1 2.95Å; S573-L577 PolarHBondContact O-N 2.87Å; Q574-L577 WeakPolarHBondContact O-CB 3.39Å; Q574-L577 PolarHBondContact O-N 2.76Å; N575-L577 PolarHBondContact O-N 3.45Å; L577-I579 VanDerWaalsContact C-N 3.33Å; L577-I579 PolarHBondContact O-N 3.45Å; L577-S580 PolarHBondContact O-N 3.11Å; L577-T581 WeakPolarHBondContact O-CG2 3.22Å; L577-T581 PolarHBondContact O-N 3.17Å; L577-T581 PolarHBondContact O-OG1 2.74Å; L577-T581 VanDerWaalsContact O-OG1 3.1Å; L577-F592 HydrophobicContact CB-CZ 4.49Å; L577-F592 HydrophobicContact CD1-CD1 4.37Å; L577-F592 HydrophobicContact CD1-CE1 3.9Å; L577-F592 HydrophobicContact CD1-CE2 4.35Å; L577-F592 HydrophobicContact CD1-CZ 3.89Å; L577-F592 HydrophobicContact CD2-CD2 3.78Å; L577-F592 HydrophobicContact CD2-CE2 3.74Å; L577-F592 HydrophobicContact CD2-CG 4.23Å; L577-F592 HydrophobicContact CD2-CZ 4.14Å; L577-F592 HydrophobicContact CG-CE2 4.43Å; L577-F592 HydrophobicContact CG-CZ 4.41Å
578	N	50.5	Low	55.7	Low	91 Å²	91	76.1 Å²	76.1	49%	0.487	44%	0.438	S	S	.	.	H	α-helix	trans	-66.1	-32	179.6	-69.5	-20.8	0	0	0	113.5	Q574 N575 T581 G582	Q574-N578 PolarHBondContact O-N 3.28Å; Q574-N578 VanDerWaalsContact O-N 3.13Å; Q574-N578 PolarHBondContact O-ND2 3.48Å; N575-N578 PolarHBondContact O-N 2.72Å; N578-T581 PolarHBondContact O-OG1 3.45Å; N578-G582 PolarHBondContact O-N 3.35Å
579	I	51	Low	54.5	Low	110 Å²	110	81.9 Å²	81.9	56%	0.564	47%	0.474	S	S	*	.	H	α-helix	trans	-71.7	-43.4	175.5	-65.9	168.1	0	0	0	110	N575 E576 L577 G582 I583	N575-I579 WeakPolarHBondContact O-CG1 3.15Å; N575-I579 PolarHBondContact O-N 3.48Å; E576-I579 PolarHBondContact O-N 2.74Å; L577-I579 VanDerWaalsContact C-N 3.33Å; L577-I579 PolarHBondContact O-N 3.45Å; I579-G582 PolarHBondContact O-N 3.42Å; I579-I583 HydrophobicContact CG2-CD1 4.45Å
580	S	45.3	Very low	53.2	Low	79 Å²	79	85.5 Å²	85.5	55%	0.552	49%	0.494	S	S	*	.	H	α-helix	trans	-66.3	-37.2	178.7	-65.7	0	0	0	0	112.9	E576 L577 G582 I583	E576-S580 PolarHBondContact O-N 3.27Å; E576-S580 VanDerWaalsContact O-N 3.15Å; E576-S580 PolarHBondContact O-OG 3.1Å; L577-S580 PolarHBondContact O-N 3.11Å; S580-G582 VanDerWaalsContact C-N 3.34Å; S580-I583 PolarHBondContact O-N 2.97Å
581	T	45.6	Very low	52.1	Low	96 Å²	96	83.8 Å²	83.8	59%	0.589	49%	0.493	S	S	*	.	H	α-helix	trans	-74.5	-23	177.2	54.5	0	0	0	0	113.3	L577 N578 I583	L577-T581 WeakPolarHBondContact O-CG2 3.22Å; L577-T581 PolarHBondContact O-N 3.17Å; L577-T581 PolarHBondContact O-OG1 2.74Å; L577-T581 VanDerWaalsContact O-OG1 3.1Å; N578-T581 PolarHBondContact O-OG1 3.45Å; T581-I583 VanDerWaalsContact C-N 3.29Å
582	G	46.9	Very low	51.1	Low	66 Å²	66	88.7 Å²	88.7	68%	0.68	52%	0.515	S	S	*	.	H	α-helix	trans	-73.7	-17.7	173.9	0	0	0	0	0	114.1	N578 I579 S580	N578-G582 PolarHBondContact O-N 3.35Å; I579-G582 PolarHBondContact O-N 3.42Å; S580-G582 VanDerWaalsContact C-N 3.34Å
583	I	43.5	Very low	50.6	Low	117 Å²	117	88.3 Å²	88.3	60%	0.6	52%	0.516	S	S	*	.	S	Bend	trans	-103.1	83.6	179	-56.5	171.2	0	0	0	108.6	I579 S580 T581	I579-I583 HydrophobicContact CG2-CD1 4.45Å; S580-I583 PolarHBondContact O-N 2.97Å; T581-I583 VanDerWaalsContact C-N 3.29Å
584	G	37.9	Very low	50.3	Low	55 Å²	55	92.8 Å²	92.8	57%	0.567	53%	0.533	S	S	*	.			trans	70.9	109.4	161.7	0	0	0	0	0	115.3
585	S	36.4	Very low	50.2	Low	115 Å²	115	92 Å²	92	80%	0.804	53%	0.529	S	S	*	.	S	Bend	trans	-28.6	141.8	157.3	47.9	0	0	0	0	115.5
586	E	39.8	Very low	50.5	Low	196 Å²	196	94.1 Å²	94.1	92%	0.916	55%	0.546	S	S	*	.			trans	95.6	30.1	168.4	-59.1	-171	155	0	0	119.8
587	S	42.8	Very low	50.9	Low	95 Å²	95	96.3 Å²	96.3	66%	0.664	55%	0.549	S	S	*	.	S	Bend	trans	-108	100.5	159	74	0	0	0	0	111.9
588	D	43.5	Very low	52	Low	121 Å²	121	101.1 Å²	101.1	65%	0.647	57%	0.569	S	S	*	*			trans	20.5	115	157.7	-71.2	-27.1	0	0	0	118.5	N590 D591	D588-N590 HydrophobicContact CB-CB 4.42Å; D588-N590 PolarHBondContact O-N 3.17Å; D588-D591 PolarHBondContact O-N 3.31Å
589	T	49.1	Very low	53.2	Low	130 Å²	130	98.4 Å²	98.4	80%	0.798	55%	0.554	S	S	*	*	T	Hydrogen-bonded Turn	trans	-50.4	-8.3	165.2	49	0	0	0	0	114.9	P593	T589-P593 WeakPolarHBondContact O-CD 3.08Å
590	N	49.6	Very low	54.4	Low	99 Å²	99	99.2 Å²	99.2	53%	0.529	56%	0.559	S	S	.	*	T	Hydrogen-bonded Turn	trans	-81.6	-11.3	-179.1	-76.7	-32.2	0	0	0	115.8	D588 P593	D588-N590 HydrophobicContact CB-CB 4.42Å; D588-N590 PolarHBondContact O-N 3.17Å; N590-P593 WeakPolarHBondContact O-CD 3.16Å; N590-P593 WeakPolarHBondContact O-CG 3.35Å
591	D	53.2	Low	56.1	Low	86 Å²	86	99.4 Å²	99.4	46%	0.46	55%	0.549	S	S	.	.	S	Bend	trans	-86.4	-27.2	-179.1	-82.8	-9	0	0	0	114.2	D588 K594 Q595	D588-D591 PolarHBondContact O-N 3.31Å; D591-K594 PolarHBondContact O-N 3.47Å; D591-K594 VanDerWaalsContact O-N 3.09Å; D591-K594 IonicContact OD1-NZ 3.16Å; D591-K594 PolarHBondContact OD1-NZ 2.85Å; D591-Q595 PolarHBondContact O-N 3.05Å; D591-Q595 VanDerWaalsContact O-N 3.1Å
592	F	50.3	Low	57.8	Low	113 Å²	113	98.6 Å²	98.6	50%	0.496	54%	0.541	S	S	.	.	H	α-helix	trans	-54	-50.7	172.7	-125.3	-79.6	0	0	0	113.9	L577 K594 S596	L577-F592 HydrophobicContact CB-CZ 4.49Å; L577-F592 HydrophobicContact CD1-CD1 4.37Å; L577-F592 HydrophobicContact CD1-CE1 3.9Å; L577-F592 HydrophobicContact CD1-CE2 4.35Å; L577-F592 HydrophobicContact CD1-CZ 3.89Å; L577-F592 HydrophobicContact CD2-CD2 3.78Å; L577-F592 HydrophobicContact CD2-CE2 3.74Å; L577-F592 HydrophobicContact CD2-CG 4.23Å; L577-F592 HydrophobicContact CD2-CZ 4.14Å; L577-F592 HydrophobicContact CG-CE2 4.43Å; L577-F592 HydrophobicContact CG-CZ 4.41Å; F592-K594 PolarHBondContact O-N 3.31Å; F592-S596 PolarHBondContact O-N 3.27Å; F592-S596 PolarHBondContact O-OG 2.79Å
593	P	58.8	Low	59.6	Low	47 Å²	47	96.6 Å²	96.6	31%	0.305	52%	0.516	S	S	.	.	H	α-helix	trans	-71.4	-17.4	178.5	28.8	-36.1	0	0	0	112.9	T589 N590 S596 R597	T589-P593 WeakPolarHBondContact O-CD 3.08Å; N590-P593 WeakPolarHBondContact O-CD 3.16Å; N590-P593 WeakPolarHBondContact O-CG 3.35Å; P593-S596 PolarHBondContact O-OG 3.45Å; P593-R597 WeakPolarHBondContact O-CB 3Å; P593-R597 VanDerWaalsContact O-CG 3.24Å; P593-R597 WeakPolarHBondContact O-CG 3Å; P593-R597 PolarHBondContact O-NE 3.18Å
594	K	65.1	Low	61.6	Low	109 Å²	109	97.2 Å²	97.2	47%	0.474	51%	0.514	S	S	.	.	H	α-helix	trans	-80	-41.8	176.6	-71.3	177.3	-163.6	154.2	0	112.1	D591 F592 K598	D591-K594 PolarHBondContact O-N 3.47Å; D591-K594 VanDerWaalsContact O-N 3.09Å; D591-K594 IonicContact OD1-NZ 3.16Å; D591-K594 PolarHBondContact OD1-NZ 2.85Å; F592-K594 PolarHBondContact O-N 3.31Å; K594-K598 WeakPolarHBondContact O-CG 3.28Å; K594-K598 PolarHBondContact O-N 3.41Å; K594-K598 VanDerWaalsContact O-N 3.12Å
595	Q	64.6	Low	63.9	Low	49 Å²	49	95.2 Å²	95.2	23%	0.229	49%	0.491	C	S	.	.	H	α-helix	trans	-72.3	-43.5	-177.6	-175.4	156	-3.7	0	0	112.4	E576 D591 R597 K598 M599	E576-Q595 PolarHBondContact OE2-NE2 2.72Å; D591-Q595 PolarHBondContact O-N 3.05Å; D591-Q595 VanDerWaalsContact O-N 3.1Å; Q595-R597 VanDerWaalsContact C-N 3.31Å; Q595-R597 PolarHBondContact O-N 3.09Å; Q595-K598 WeakPolarHBondContact O-CB 3.33Å; Q595-K598 PolarHBondContact O-N 2.87Å; Q595-K598 VanDerWaalsContact O-N 3.09Å; Q595-M599 PolarHBondContact O-N 3.33Å
596	S	68.6	Low	66.4	Low	62 Å²	62	90.7 Å²	90.7	43%	0.434	46%	0.458	S	S	.	.	H	α-helix	trans	-56.1	-43.6	171.9	54.9	0	0	0	0	112.2	F592 P593 K598 M599 L600	F592-S596 PolarHBondContact O-N 3.27Å; F592-S596 PolarHBondContact O-OG 2.79Å; P593-S596 PolarHBondContact O-OG 3.45Å; S596-K598 PolarHBondContact O-N 2.57Å; S596-M599 PolarHBondContact O-N 3.24Å; S596-L600 PolarHBondContact O-N 3.05Å
597	R	73.8	Confident	68.8	Low	167 Å²	167	81.9 Å²	81.9	63%	0.63	42%	0.418	S	S	*	.	H	α-helix	trans	-61	-39.5	173.9	-83.3	-173.7	-97.1	-178.3	-11.7	113.3	P593 Q595 M599 K601	P593-R597 WeakPolarHBondContact O-CB 3Å; P593-R597 VanDerWaalsContact O-CG 3.24Å; P593-R597 WeakPolarHBondContact O-CG 3Å; P593-R597 PolarHBondContact O-NE 3.18Å; Q595-R597 VanDerWaalsContact C-N 3.31Å; Q595-R597 PolarHBondContact O-N 3.09Å; R597-M599 VanDerWaalsContact C-N 3.35Å; R597-K601 WeakPolarHBondContact O-CB 3.49Å; R597-K601 PolarHBondContact O-N 3.19Å; R597-K601 VanDerWaalsContact O-N 3.14Å
598	K	76.4	Confident	70.9	Confident	120 Å²	120	77.9 Å²	77.9	52%	0.522	39%	0.389	S	S	.	.	H	α-helix	trans	-63.4	-42.2	175.2	-72.2	173.1	-174.6	172.6	0	111.1	K594 Q595 S596 K601 I602	K594-K598 WeakPolarHBondContact O-CG 3.28Å; K594-K598 PolarHBondContact O-N 3.41Å; K594-K598 VanDerWaalsContact O-N 3.12Å; Q595-K598 WeakPolarHBondContact O-CB 3.33Å; Q595-K598 PolarHBondContact O-N 2.87Å; Q595-K598 VanDerWaalsContact O-N 3.09Å; S596-K598 PolarHBondContact O-N 2.57Å; K598-K601 PolarHBondContact O-N 3.46Å; K598-I602 WeakPolarHBondContact O-CG1 3.21Å; K598-I602 PolarHBondContact O-N 3.39Å; K598-I602 VanDerWaalsContact O-N 3.1Å
599	M	74.7	Confident	73	Confident	34 Å²	34	72.7 Å²	72.7	17%	0.167	36%	0.361	C	S	.	.	H	α-helix	trans	-66.9	-47.3	-179.9	179.1	-90.2	179	0	0	112.3	G566 I569 W570 Q595 S596 R597 K601 I602 C603	G566-M599 WeakPolarHBondContact O-CE 3.25Å; I569-M599 HydrophobicContact CG2-CE 4.38Å; I569-M599 HydrophobicContact CG2-CG 3.71Å; W570-M599 HydrophobicContact CB-CE 3.49Å; W570-M599 VanDerWaalsContact CB-CE 3.49Å; W570-M599 HydrophobicContact CG-CE 4.22Å; Q595-M599 PolarHBondContact O-N 3.33Å; S596-M599 PolarHBondContact O-N 3.24Å; R597-M599 VanDerWaalsContact C-N 3.35Å; M599-K601 PolarHBondContact O-N 3.01Å; M599-I602 PolarHBondContact O-N 2.98Å; M599-I602 VanDerWaalsContact O-N 3.08Å; M599-C603 VanDerWaalsContact CE-SG 3.57Å; M599-C603 PolarHBondContact O-N 3.12Å
600	L	75.8	Confident	74.9	Confident	127 Å²	127	66.8 Å²	66.8	67%	0.665	32%	0.324	S	S	*	.	H	α-helix	trans	-55	-44.4	175	-171	85.9	0	0	0	110.7	S596 I602 C603 F604	S596-L600 PolarHBondContact O-N 3.05Å; L600-I602 PolarHBondContact O-N 3.07Å; L600-C603 PolarHBondContact O-N 3.07Å; L600-F604 VanDerWaalsContact O-CB 3.31Å; L600-F604 WeakPolarHBondContact O-CB 3.33Å; L600-F604 PolarHBondContact O-N 3.15Å
601	K	81	Confident	76.7	Confident	83 Å²	83	62 Å²	62	36%	0.361	30%	0.299	S	S	.	.	H	α-helix	trans	-62.5	-39.7	177.8	-174.7	172.7	-178	168.8	0	112.8	R597 K598 M599 N605	R597-K601 WeakPolarHBondContact O-CB 3.49Å; R597-K601 PolarHBondContact O-N 3.19Å; R597-K601 VanDerWaalsContact O-N 3.14Å; K598-K601 PolarHBondContact O-N 3.46Å; M599-K601 PolarHBondContact O-N 3.01Å; K601-N605 WeakPolarHBondContact O-CB 3.3Å; K601-N605 PolarHBondContact O-N 3.39Å; K601-N605 PolarHBondContact O-ND2 3.22Å; K601-N605 PolarHBondContact O-OD1 3.3Å
602	I	81.6	Confident	78.4	Confident	80 Å²	80	61.6 Å²	61.6	41%	0.41	30%	0.296	S	S	.	.	H	α-helix	trans	-66	-46.9	177.2	-67.5	163.6	0	0	0	110.3	I569 K598 M599 L600 F604 N605 L606	I569-I602 HydrophobicContact CD1-CG2 4.07Å; K598-I602 WeakPolarHBondContact O-CG1 3.21Å; K598-I602 PolarHBondContact O-N 3.39Å; K598-I602 VanDerWaalsContact O-N 3.1Å; M599-I602 PolarHBondContact O-N 2.98Å; M599-I602 VanDerWaalsContact O-N 3.08Å; L600-I602 PolarHBondContact O-N 3.07Å; I602-F604 VanDerWaalsContact C-N 3.34Å; I602-F604 PolarHBondContact O-N 3.34Å; I602-N605 PolarHBondContact O-N 3.45Å; I602-L606 HydrophobicContact CG2-CD1 4.03Å; I602-L606 HydrophobicContact CG2-CG 4.46Å; I602-L606 WeakPolarHBondContact O-CG 3.05Å; I602-L606 PolarHBondContact O-N 3.37Å
603	C	84.1	Confident	80.3	Confident	23 Å²	23	56.9 Å²	56.9	16%	0.155	28%	0.276	C	S	.	.	H	α-helix	trans	-64	-40.7	179.4	-66.6	0	0	0	0	111.9	M599 L600 L606 S607	M599-C603 VanDerWaalsContact CE-SG 3.57Å; M599-C603 PolarHBondContact O-N 3.12Å; L600-C603 PolarHBondContact O-N 3.07Å; C603-L606 PolarHBondContact O-N 2.96Å; C603-S607 VanDerWaalsContact O-CB 3.27Å; C603-S607 WeakPolarHBondContact O-CB 3.29Å; C603-S607 PolarHBondContact O-N 2.75Å
604	F	85.8	Confident	81.7	Confident	130 Å²	130	54.9 Å²	54.9	57%	0.57	26%	0.263	S	S	*	.	H	α-helix	trans	-59.9	-46.2	174.2	-179.1	-102.3	0	0	0	112.2	L600 I602 L606 S607 I608	L600-F604 VanDerWaalsContact O-CB 3.31Å; L600-F604 WeakPolarHBondContact O-CB 3.33Å; L600-F604 PolarHBondContact O-N 3.15Å; I602-F604 VanDerWaalsContact C-N 3.34Å; I602-F604 PolarHBondContact O-N 3.34Å; F604-L606 VanDerWaalsContact C-N 3.34Å; F604-L606 PolarHBondContact O-N 3.42Å; F604-S607 VanDerWaalsContact O-CB 3.32Å; F604-S607 WeakPolarHBondContact O-CB 3.27Å; F604-S607 PolarHBondContact O-N 3.06Å; F604-I608 HydrophobicContact CD1-CD1 3.84Å; F604-I608 HydrophobicContact CE1-CD1 3.35Å; F604-I608 HydrophobicContact CE1-CG1 4.43Å; F604-I608 HydrophobicContact CE2-CD1 4.42Å; F604-I608 HydrophobicContact CZ-CD1 3.68Å; F604-I608 HydrophobicContact CZ-CG1 4.42Å; F604-I608 PolarHBondContact O-N 2.97Å; F604-I608 VanDerWaalsContact O-N 3.11Å
605	N	87.2	Confident	82.7	Confident	13 Å²	13	51.8 Å²	51.8	7%	0.07	25%	0.251	C	S	.	.	H	α-helix	trans	-60.8	-43.7	176.1	-68.1	-13.5	0	0	0	111.9	K601 I602 S607 I608 I609 T647	K601-N605 WeakPolarHBondContact O-CB 3.3Å; K601-N605 PolarHBondContact O-N 3.39Å; K601-N605 PolarHBondContact O-ND2 3.22Å; K601-N605 PolarHBondContact O-OD1 3.3Å; I602-N605 PolarHBondContact O-N 3.45Å; N605-S607 VanDerWaalsContact C-N 3.3Å; N605-S607 PolarHBondContact O-N 3.09Å; N605-I608 PolarHBondContact O-N 3.22Å; N605-I609 WeakPolarHBondContact O-CD1 3.25Å; N605-I609 VanDerWaalsContact O-CG1 3.3Å; N605-I609 WeakPolarHBondContact O-CG1 3.46Å; N605-I609 PolarHBondContact O-N 2.86Å; N605-T647 HydrophobicContact CB-CG2 4.2Å; N605-T647 WeakPolarHBondContact OD1-CG2 2.95Å
606	L	88.4	Confident	83.6	Confident	21 Å²	21	53.4 Å²	53.4	11%	0.11	26%	0.257	C	S	.	.	H	α-helix	trans	-63.6	-38.8	176.8	-70.7	172.8	0	0	0	111.5	F400 L404 L562 V565 I569 I602 C603 F604 I608 I609 L610	F400-L606 HydrophobicContact CE1-CD2 4.15Å; L404-L606 HydrophobicContact CD1-CD2 3.83Å; L404-L606 HydrophobicContact CD2-CD2 4.11Å; L562-L606 HydrophobicContact CD1-CB 4.02Å; V565-L606 HydrophobicContact CG1-CD1 3.99Å; I569-L606 HydrophobicContact CD1-CD1 3.94Å; I602-L606 HydrophobicContact CG2-CD1 4.03Å; I602-L606 HydrophobicContact CG2-CG 4.46Å; I602-L606 WeakPolarHBondContact O-CG 3.05Å; I602-L606 PolarHBondContact O-N 3.37Å; C603-L606 PolarHBondContact O-N 2.96Å; F604-L606 VanDerWaalsContact C-N 3.34Å; F604-L606 PolarHBondContact O-N 3.42Å; L606-I608 PolarHBondContact O-N 3.3Å; L606-I609 PolarHBondContact O-N 3.05Å; L606-L610 WeakPolarHBondContact O-CB 3.41Å; L606-L610 WeakPolarHBondContact O-CG 3.49Å; L606-L610 PolarHBondContact O-N 3.03Å
607	S	90	Very high	84.4	Confident	11 Å²	11	50.6 Å²	50.6	8%	0.077	24%	0.237	C	C	.	.	H	α-helix	trans	-60.6	-43.2	178.5	-166.2	0	0	0	0	112.4	L562 C603 F604 N605 L610 G611 I612	L562-S607 WeakPolarHBondContact CD2-OG 3.49Å; C603-S607 VanDerWaalsContact O-CB 3.27Å; C603-S607 WeakPolarHBondContact O-CB 3.29Å; C603-S607 PolarHBondContact O-N 2.75Å; F604-S607 VanDerWaalsContact O-CB 3.32Å; F604-S607 WeakPolarHBondContact O-CB 3.27Å; F604-S607 PolarHBondContact O-N 3.06Å; N605-S607 VanDerWaalsContact C-N 3.3Å; N605-S607 PolarHBondContact O-N 3.09Å; S607-L610 PolarHBondContact O-N 2.93Å; S607-G611 PolarHBondContact O-N 3.48Å; S607-G611 VanDerWaalsContact O-N 3.16Å; S607-I612 WeakPolarHBondContact O-CG2 3.47Å; S607-I612 PolarHBondContact O-N 3.32Å; S607-I612 WeakPolarHBondContact OG-CB 3Å; S607-I612 WeakPolarHBondContact OG-CD1 3.37Å; S607-I612 WeakPolarHBondContact OG-CG2 3.49Å
608	I	88.2	Confident	84.8	Confident	11 Å²	11	43.9 Å²	43.9	6%	0.056	21%	0.214	C	C	.	.	H	α-helix	trans	-62.4	-45	174.1	-67.9	162.6	0	0	0	111.2	F604 N605 L606 G611 Q640 A643 T647	F604-I608 HydrophobicContact CD1-CD1 3.84Å; F604-I608 HydrophobicContact CE1-CD1 3.35Å; F604-I608 HydrophobicContact CE1-CG1 4.43Å; F604-I608 HydrophobicContact CE2-CD1 4.42Å; F604-I608 HydrophobicContact CZ-CD1 3.68Å; F604-I608 HydrophobicContact CZ-CG1 4.42Å; F604-I608 PolarHBondContact O-N 2.97Å; F604-I608 VanDerWaalsContact O-N 3.11Å; N605-I608 PolarHBondContact O-N 3.22Å; L606-I608 PolarHBondContact O-N 3.3Å; I608-G611 PolarHBondContact O-N 3.19Å; I608-Q640 HydrophobicContact CG2-CG 4.36Å; I608-Q640 PolarHBondContact O-NE2 3.15Å; I608-A643 HydrophobicContact CD1-CB 4.2Å; I608-A643 HydrophobicContact CG2-CB 3.83Å; I608-T647 HydrophobicContact CD1-CG2 3.83Å
609	I	86.9	Confident	85.1	Confident	12 Å²	12	42.6 Å²	42.6	6%	0.062	21%	0.212	C	C	.	.	H	α-helix	trans	-67.4	-37.4	-178.7	-62.7	164.3	0	0	0	111.3	L350 M397 F400 N605 L606 G611 L644	L350-I609 HydrophobicContact CD2-CG2 4.17Å; M397-I609 VanDerWaalsContact CG-O 3.3Å; M397-I609 WeakPolarHBondContact CG-O 3.41Å; F400-I609 HydrophobicContact CD1-CG2 3.48Å; F400-I609 VanDerWaalsContact CD1-CG2 3.48Å; F400-I609 HydrophobicContact CD2-CG2 4.35Å; F400-I609 HydrophobicContact CE1-CB 4.16Å; F400-I609 HydrophobicContact CE1-CD1 4.34Å; F400-I609 HydrophobicContact CE1-CG2 3.41Å; F400-I609 VanDerWaalsContact CE1-CG2 3.41Å; F400-I609 HydrophobicContact CE2-CG2 4.32Å; F400-I609 HydrophobicContact CG-CG2 3.96Å; F400-I609 HydrophobicContact CZ-CD1 4.22Å; F400-I609 HydrophobicContact CZ-CG2 3.88Å; N605-I609 WeakPolarHBondContact O-CD1 3.25Å; N605-I609 VanDerWaalsContact O-CG1 3.3Å; N605-I609 WeakPolarHBondContact O-CG1 3.46Å; N605-I609 PolarHBondContact O-N 2.86Å; L606-I609 PolarHBondContact O-N 3.05Å; I609-G611 VanDerWaalsContact C-N 3.25Å; I609-G611 PolarHBondContact O-N 3.5Å; I609-L644 HydrophobicContact CD1-CD1 4.48Å; I609-L644 HydrophobicContact CG1-CD1 3.66Å
610	L	88.8	Confident	85.3	Confident	5 Å²	5	41.2 Å²	41.2	3%	0.026	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.4	-0.9	-179.6	-69.9	175.5	0	0	0	113.6	F400 L404 N558 V561 L562 L606 S607	F400-L610 HydrophobicContact CD1-CD2 3.94Å; L404-L610 HydrophobicContact CD1-CD1 4.1Å; L404-L610 HydrophobicContact CD1-CD2 4.32Å; L404-L610 HydrophobicContact CD1-CG 4.47Å; N558-L610 HydrophobicContact CB-CB 4.32Å; N558-L610 WeakPolarHBondContact CB-O 3.32Å; N558-L610 PolarHBondContact ND2-O 3.44Å; V561-L610 HydrophobicContact CG1-CD1 4.17Å; L562-L610 HydrophobicContact CB-CD1 3.93Å; L562-L610 HydrophobicContact CD1-CD1 4.12Å; L606-L610 WeakPolarHBondContact O-CB 3.41Å; L606-L610 WeakPolarHBondContact O-CG 3.49Å; L606-L610 PolarHBondContact O-N 3.03Å; S607-L610 PolarHBondContact O-N 2.93Å
611	G	88.1	Confident	85.1	Confident	0 Å²	0	35.9 Å²	35.9	0%	0	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	89.8	28.8	168	0	0	0	0	0	115.5	M397 S607 I608 I609 V613 W614	M397-G611 WeakPolarHBondContact SD-CA 3.37Å; S607-G611 PolarHBondContact O-N 3.48Å; S607-G611 VanDerWaalsContact O-N 3.16Å; I608-G611 PolarHBondContact O-N 3.19Å; I609-G611 VanDerWaalsContact C-N 3.25Å; I609-G611 PolarHBondContact O-N 3.5Å; G611-V613 PolarHBondContact O-N 3.18Å; G611-V613 VanDerWaalsContact O-N 3.09Å; G611-W614 WeakPolarHBondContact O-CB 3.42Å; G611-W614 PolarHBondContact O-N 2.03Å
612	I	88.1	Confident	84.7	Confident	77 Å²	77	35.7 Å²	35.7	40%	0.395	18%	0.182	S	C	.	.	H	α-helix	trans	-55	-30.2	175.8	-161.9	164.3	0	0	0	112.9	S607 W614 I615 F616	S607-I612 WeakPolarHBondContact O-CG2 3.47Å; S607-I612 PolarHBondContact O-N 3.32Å; S607-I612 WeakPolarHBondContact OG-CB 3Å; S607-I612 WeakPolarHBondContact OG-CD1 3.37Å; S607-I612 WeakPolarHBondContact OG-CG2 3.49Å; I612-W614 PolarHBondContact O-N 2.66Å; I612-I615 HydrophobicContact CG1-CD1 4.13Å; I612-I615 WeakPolarHBondContact O-CB 3.41Å; I612-I615 PolarHBondContact O-N 2.78Å; I612-F616 PolarHBondContact O-N 3.36Å; I612-F616 VanDerWaalsContact O-N 3.17Å
613	V	89.2	Confident	84.3	Confident	13 Å²	13	36.5 Å²	36.5	8%	0.079	19%	0.186	C	C	.	.	H	α-helix	trans	-58.8	-30.8	177.7	-61.1	0	0	0	0	112.5	G611 F616 Q617 V636 Q640	G611-V613 PolarHBondContact O-N 3.18Å; G611-V613 VanDerWaalsContact O-N 3.09Å; V613-F616 PolarHBondContact O-N 3.31Å; V613-Q617 PolarHBondContact O-N 3.4Å; V613-V636 HydrophobicContact CB-CG1 4.13Å; V613-V636 HydrophobicContact CG1-CG1 3.8Å; V613-Q640 HydrophobicContact CG2-CB 4.07Å; V613-Q640 HydrophobicContact CG2-CG 3.84Å
614	W	88.5	Confident	83.3	Confident	6 Å²	6	37.6 Å²	37.6	2%	0.023	19%	0.193	C	C	.	.	H	α-helix	trans	-78.3	-29.1	178.1	-63	101.8	0	0	0	112.2	W269 L273 F390 F394 L555 G611 I612 F616 Q617 I618	W269-W614 HydrophobicContact CZ2-CH2 4.26Å; L273-W614 HydrophobicContact CD1-CE3 4.09Å; L273-W614 HydrophobicContact CD1-CZ3 4.39Å; F390-W614 HydrophobicContact CD1-CH2 4.23Å; F390-W614 HydrophobicContact CD1-CZ3 4.46Å; F390-W614 AromaticContact CE1-CH2 3.45Å; F390-W614 HydrophobicContact CE1-CH2 3.45Å; F390-W614 VanDerWaalsContact CE1-CH2 3.45Å; F390-W614 HydrophobicContact CE1-CZ2 4.37Å; F390-W614 AromaticContact CE1-CZ3 3.6Å; F390-W614 HydrophobicContact CE1-CZ3 3.6Å; F390-W614 HydrophobicContact CZ-CH2 4.33Å; F390-W614 HydrophobicContact CZ-CZ3 4.47Å; F394-W614 HydrophobicContact CE1-CB 3.98Å; F394-W614 AromaticContact CE1-CD1 3.83Å; F394-W614 AromaticContact CE1-CD2 3.97Å; F394-W614 HydrophobicContact CE1-CD2 3.97Å; F394-W614 AromaticContact CE1-CG 3.64Å; F394-W614 HydrophobicContact CE1-CG 3.64Å; F394-W614 HydrophobicContact CZ-CB 4.4Å; F394-W614 AromaticContact CZ-CD2 3.77Å; F394-W614 HydrophobicContact CZ-CD2 3.77Å; F394-W614 HydrophobicContact CZ-CE3 4.05Å; F394-W614 AromaticContact CZ-CG 3.93Å; F394-W614 HydrophobicContact CZ-CG 3.93Å; L555-W614 HydrophobicContact CD1-CB 3.73Å; L555-W614 HydrophobicContact CD2-CB 3.87Å; L555-W614 HydrophobicContact CG-CB 4.46Å; G611-W614 WeakPolarHBondContact O-CB 3.42Å; G611-W614 PolarHBondContact O-N 2.03Å; I612-W614 PolarHBondContact O-N 2.66Å; W614-F616 VanDerWaalsContact C-N 3.3Å; W614-Q617 WeakPolarHBondContact O-CB 3.05Å; W614-Q617 PolarHBondContact O-N 3.21Å; W614-I618 WeakPolarHBondContact O-CG1 3.38Å; W614-I618 PolarHBondContact O-N 2.04Å
615	I	86.6	Confident	82.2	Confident	43 Å²	43	36.2 Å²	36.2	22%	0.221	19%	0.192	C	C	.	.	H	α-helix	trans	-66.7	-40.2	172.3	-56.3	162.9	0	0	0	109.5	C559 I612 Q617 I618 L619	C559-I615 WeakPolarHBondContact SG-CD1 3.06Å; I612-I615 HydrophobicContact CG1-CD1 4.13Å; I612-I615 WeakPolarHBondContact O-CB 3.41Å; I612-I615 PolarHBondContact O-N 2.78Å; I615-Q617 PolarHBondContact O-N 2.93Å; I615-I618 PolarHBondContact O-N 3Å; I615-I618 VanDerWaalsContact O-N 3.09Å; I615-L619 HydrophobicContact CG2-CD1 3.93Å; I615-L619 HydrophobicContact CG2-CG 4.21Å; I615-L619 WeakPolarHBondContact O-CB 3.36Å; I615-L619 WeakPolarHBondContact O-CG 3.39Å; I615-L619 PolarHBondContact O-N 3.49Å
616	F	84.3	Confident	81.4	Confident	83 Å²	83	38.7 Å²	38.7	36%	0.364	21%	0.207	S	C	.	.	H	α-helix	trans	-59.6	-35.7	173.8	-170.8	-110	0	0	0	111.4	I612 V613 W614 L619 A620 V632 A633	I612-F616 PolarHBondContact O-N 3.36Å; I612-F616 VanDerWaalsContact O-N 3.17Å; V613-F616 PolarHBondContact O-N 3.31Å; W614-F616 VanDerWaalsContact C-N 3.3Å; F616-L619 PolarHBondContact O-N 2.74Å; F616-A620 WeakPolarHBondContact O-CB 3.47Å; F616-A620 PolarHBondContact O-N 3.38Å; F616-V632 HydrophobicContact CE1-CG1 4.28Å; F616-A633 HydrophobicContact CD1-CB 3.42Å; F616-A633 VanDerWaalsContact CD1-CB 3.42Å; F616-A633 HydrophobicContact CE1-CB 3.57Å; F616-A633 HydrophobicContact CG-CB 4.44Å
617	Q	83.9	Confident	80.5	Confident	4 Å²	4	40.8 Å²	40.8	2%	0.019	22%	0.222	C	C	.	.	H	α-helix	trans	-65.9	-41.4	171.8	-165.7	69.6	36.3	0	0	113.1	H270 L273 V613 W614 I615 A620 S621 A633	H270-Q617 PolarHBondContact O-NE2 3.46Å; L273-Q617 HydrophobicContact CB-CB 4.5Å; L273-Q617 HydrophobicContact CB-CG 3.66Å; L273-Q617 HydrophobicContact CD2-CB 4.23Å; L273-Q617 HydrophobicContact CD2-CG 4.28Å; V613-Q617 PolarHBondContact O-N 3.4Å; W614-Q617 WeakPolarHBondContact O-CB 3.05Å; W614-Q617 PolarHBondContact O-N 3.21Å; I615-Q617 PolarHBondContact O-N 2.93Å; Q617-A620 PolarHBondContact O-N 3.13Å; Q617-S621 PolarHBondContact O-N 3.16Å; Q617-S621 PolarHBondContact O-OG 3.13Å; Q617-A633 PolarHBondContact OE1-O 3.43Å
618	I	83.4	Confident	79.7	Confident	26 Å²	26	43.7 Å²	43.7	13%	0.133	24%	0.236	C	C	.	.	H	α-helix	trans	-64.5	-43.3	175	-64.4	174.5	0	0	0	110.9	L273 L555 W614 I615 S621 L622	L273-I618 HydrophobicContact CD2-CD1 4Å; L273-I618 HydrophobicContact CD2-CG1 3.29Å; L555-I618 HydrophobicContact CD1-CD1 3.67Å; W614-I618 WeakPolarHBondContact O-CG1 3.38Å; W614-I618 PolarHBondContact O-N 2.04Å; I615-I618 PolarHBondContact O-N 3Å; I615-I618 VanDerWaalsContact O-N 3.09Å; I618-S621 PolarHBondContact O-N 2.82Å; I618-S621 PolarHBondContact O-OG 3.13Å; I618-L622 PolarHBondContact O-N 2.58Å
619	L	81.9	Confident	79.3	Confident	93 Å²	93	45.8 Å²	45.8	49%	0.487	25%	0.247	S	C	.	.	H	α-helix	trans	-66.2	-41	178.5	-71.2	170.3	0	0	0	111.3	I615 F616 S621 L622	I615-L619 HydrophobicContact CG2-CD1 3.93Å; I615-L619 HydrophobicContact CG2-CG 4.21Å; I615-L619 WeakPolarHBondContact O-CB 3.36Å; I615-L619 WeakPolarHBondContact O-CG 3.39Å; I615-L619 PolarHBondContact O-N 3.49Å; F616-L619 PolarHBondContact O-N 2.74Å; L619-S621 PolarHBondContact O-N 3.21Å; L619-L622 HydrophobicContact CD2-CD1 4.25Å; L619-L622 WeakPolarHBondContact O-CB 3.07Å; L619-L622 PolarHBondContact O-N 2.77Å; L619-L622 VanDerWaalsContact O-N 3.15Å
620	A	79.1	Confident	78.8	Confident	5 Å²	5	45.8 Å²	45.8	4%	0.041	25%	0.25	C	C	.	.	H	α-helix	trans	-61	-33.9	174.2	0	0	0	0	0	112	F616 Q617 L622 L623 I629 A633	F616-A620 WeakPolarHBondContact O-CB 3.47Å; F616-A620 PolarHBondContact O-N 3.38Å; Q617-A620 PolarHBondContact O-N 3.13Å; A620-L622 VanDerWaalsContact C-N 3.32Å; A620-L623 PolarHBondContact O-N 2.87Å; A620-I629 HydrophobicContact CB-CG2 3.7Å; A620-A633 HydrophobicContact CB-CB 3.69Å
621	S	72.7	Confident	78.5	Confident	14 Å²	14	46 Å²	46	10%	0.098	25%	0.25	C	S	.	.	H	α-helix	trans	-80	-11.8	178.3	70.8	0	0	0	0	114.4	L273 L275 L280 Q617 I618 L619 L623	L273-S621 PolarHBondContact O-OG 2.95Å; L275-S621 PolarHBondContact N-OG 3.36Å; L280-S621 WeakPolarHBondContact CD1-O 3.3Å; Q617-S621 PolarHBondContact O-N 3.16Å; Q617-S621 PolarHBondContact O-OG 3.13Å; I618-S621 PolarHBondContact O-N 2.82Å; I618-S621 PolarHBondContact O-OG 3.13Å; L619-S621 PolarHBondContact O-N 3.21Å; S621-L623 VanDerWaalsContact C-N 3.3Å
622	L	72.8	Confident	78.3	Confident	80 Å²	80	48.8 Å²	48.8	42%	0.419	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.2	-12.9	168.6	-73	164.9	0	0	0	113	L275 L280 I618 L619 A620 P624	L275-L622 HydrophobicContact CD1-CB 4.45Å; L275-L622 HydrophobicContact CD1-CD2 3.39Å; L275-L622 HydrophobicContact CD1-CG 3.55Å; L280-L622 HydrophobicContact CD2-CD2 3.99Å; I618-L622 PolarHBondContact O-N 2.58Å; L619-L622 HydrophobicContact CD2-CD1 4.25Å; L619-L622 WeakPolarHBondContact O-CB 3.07Å; L619-L622 PolarHBondContact O-N 2.77Å; L619-L622 VanDerWaalsContact O-N 3.15Å; A620-L622 VanDerWaalsContact C-N 3.32Å; L622-P624 VanDerWaalsContact C-CD 3.43Å; L622-P624 WeakPolarHBondContact O-CD 3.37Å
623	L	72.1	Confident	78.2	Confident	96 Å²	96	45.1 Å²	45.1	50%	0.503	25%	0.249	S	C	.	.			trans	-114.8	72.1	-179.4	-64.2	171	0	0	0	109.9	A620 S621 D625 V626 I629	A620-L623 PolarHBondContact O-N 2.87Å; S621-L623 VanDerWaalsContact C-N 3.3Å; L623-D625 PolarHBondContact O-N 2.8Å; L623-V626 PolarHBondContact O-N 3.4Å; L623-I629 HydrophobicContact CD1-CD1 4.18Å
624	P	64.5	Low	78	Confident	47 Å²	47	44.8 Å²	44.8	31%	0.305	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-23.9	-174	29	-36	0	0	0	113.2	L280 F282 L622 V626	L280-P624 HydrophobicContact CD1-CB 4.13Å; L280-P624 HydrophobicContact CD1-CG 3.88Å; F282-P624 HydrophobicContact CD2-CG 4.01Å; F282-P624 HydrophobicContact CE2-CG 4.46Å; L622-P624 VanDerWaalsContact C-CD 3.43Å; L622-P624 WeakPolarHBondContact O-CD 3.37Å; P624-V626 PolarHBondContact O-N 3.42Å
625	D	62.1	Low	78	Confident	101 Å²	101	46.5 Å²	46.5	54%	0.54	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-14.7	-173.8	-51.3	-33.7	0	0	0	113.3	L623 P627	L623-D625 PolarHBondContact O-N 2.8Å; D625-P627 WeakPolarHBondContact O-CD 3.34Å
626	V	71.1	Confident	78.1	Confident	64 Å²	64	47.2 Å²	47.2	39%	0.388	26%	0.262	S	S	.	.			trans	-123.5	81.7	-178.1	-163.2	0	0	0	0	109.9	L623 P624 L628 I629	L623-V626 PolarHBondContact O-N 3.4Å; P624-V626 PolarHBondContact O-N 3.42Å; V626-L628 HydrophobicContact CG1-CB 4.32Å; V626-L628 PolarHBondContact O-N 2.94Å; V626-I629 HydrophobicContact CB-CD1 3.74Å; V626-I629 HydrophobicContact CB-CG1 3.91Å; V626-I629 HydrophobicContact CG1-CD1 3.91Å; V626-I629 HydrophobicContact CG1-CG1 3.71Å; V626-I629 HydrophobicContact CG2-CD1 4.23Å; V626-I629 PolarHBondContact O-N 2.86Å
627	P	67.7	Low	78.4	Confident	66 Å²	66	43.4 Å²	43.4	43%	0.429	25%	0.246	S	C	.	.	H	α-helix	trans	-57.8	-28.5	-175.6	22.5	-33.8	0	0	0	112.6	D625 I629 G630 R631	D625-P627 WeakPolarHBondContact O-CD 3.34Å; P627-I629 VanDerWaalsContact C-N 3.28Å; P627-I629 PolarHBondContact O-N 3.2Å; P627-G630 PolarHBondContact O-N 3.35Å; P627-R631 WeakPolarHBondContact O-CG 3.31Å; P627-R631 PolarHBondContact O-N 3.44Å
628	L	74.8	Confident	78.6	Confident	72 Å²	72	43.3 Å²	43.3	38%	0.377	25%	0.246	S	C	.	.	H	α-helix	trans	-56.5	-37.4	175.1	-70.7	164.5	0	0	0	112.9	T306 F310 V626 R631 V632	T306-L628 HydrophobicContact CG2-CD2 3.79Å; F310-L628 HydrophobicContact CD2-CD2 4.37Å; F310-L628 HydrophobicContact CE2-CD2 3.71Å; F310-L628 HydrophobicContact CZ-CD2 4.5Å; V626-L628 HydrophobicContact CG1-CB 4.32Å; V626-L628 PolarHBondContact O-N 2.94Å; L628-R631 WeakPolarHBondContact O-CB 3.29Å; L628-R631 PolarHBondContact O-N 3.23Å; L628-V632 WeakPolarHBondContact O-CG2 3.38Å; L628-V632 PolarHBondContact O-N 3.19Å
629	I	78.3	Confident	79	Confident	54 Å²	54	43.5 Å²	43.5	28%	0.277	25%	0.251	S	S	.	.	H	α-helix	trans	-65.7	-43.2	179.5	-59.9	177.6	0	0	0	110	A620 L623 V626 P627 R631 V632 A633	A620-I629 HydrophobicContact CB-CG2 3.7Å; L623-I629 HydrophobicContact CD1-CD1 4.18Å; V626-I629 HydrophobicContact CB-CD1 3.74Å; V626-I629 HydrophobicContact CB-CG1 3.91Å; V626-I629 HydrophobicContact CG1-CD1 3.91Å; V626-I629 HydrophobicContact CG1-CG1 3.71Å; V626-I629 HydrophobicContact CG2-CD1 4.23Å; V626-I629 PolarHBondContact O-N 2.86Å; P627-I629 VanDerWaalsContact C-N 3.28Å; P627-I629 PolarHBondContact O-N 3.2Å; I629-R631 VanDerWaalsContact C-N 3.26Å; I629-R631 PolarHBondContact O-N 3.07Å; I629-V632 PolarHBondContact O-N 2.88Å; I629-A633 WeakPolarHBondContact O-CB 3.3Å; I629-A633 PolarHBondContact O-N 2.87Å
630	G	77.7	Confident	79.5	Confident	12 Å²	12	39.2 Å²	39.2	12%	0.124	23%	0.229	C	C	.	.	H	α-helix	trans	-58.4	-37.2	174.6	0	0	0	0	0	112.9	H270 P627 S634	H270-G630 WeakPolarHBondContact CB-O 3.14Å; P627-G630 PolarHBondContact O-N 3.35Å; G630-S634 PolarHBondContact O-N 3.3Å
631	R	81.3	Confident	80.1	Confident	9 Å²	9	39 Å²	39	3%	0.034	23%	0.227	C	C	.	.	H	α-helix	trans	-70.3	-46.6	175.7	-60.1	-50.6	-163.6	129.4	12.8	112.5	H270 E307 F310 D311 P627 L628 I629 A633 S634 L635	H270-R631 PolarHBondContact CE1-NE 3.37Å; H270-R631 VanDerWaalsContact CE1-NE 3.26Å; H270-R631 PolarHBondContact CE1-NH1 3.29Å; H270-R631 PolarHBondContact ND1-NH1 2.87Å; E307-R631 IonicContact OE2-NH2 2.71Å; F310-R631 HydrophobicContact CB-CB 4.35Å; F310-R631 HydrophobicContact CD1-CB 4.19Å; F310-R631 HydrophobicContact CD2-CB 4.39Å; F310-R631 HydrophobicContact CG-CB 4.07Å; D311-R631 IonicContact OD1-CZ 3.32Å; D311-R631 IonicContact OD1-NH1 3.69Å; D311-R631 PolarHBondContact OD1-NH1 3.48Å; D311-R631 IonicContact OD1-NH2 3.88Å; D311-R631 IonicContact OD2-NH1 3.95Å; D311-R631 IonicContact OD2-NH2 3.69Å; P627-R631 WeakPolarHBondContact O-CG 3.31Å; P627-R631 PolarHBondContact O-N 3.44Å; L628-R631 WeakPolarHBondContact O-CB 3.29Å; L628-R631 PolarHBondContact O-N 3.23Å; I629-R631 VanDerWaalsContact C-N 3.26Å; I629-R631 PolarHBondContact O-N 3.07Å; R631-A633 VanDerWaalsContact C-N 3.25Å; R631-A633 PolarHBondContact O-N 3.21Å; R631-S634 WeakPolarHBondContact CA-OG 3.34Å; R631-S634 WeakPolarHBondContact O-CB 3.1Å; R631-S634 PolarHBondContact O-N 3.41Å; R631-S634 VanDerWaalsContact O-N 3.08Å; R631-S634 PolarHBondContact O-OG 3.06Å; R631-L635 PolarHBondContact O-N 3.23Å
632	V	85.3	Confident	81.1	Confident	60 Å²	60	38.6 Å²	38.6	36%	0.364	22%	0.224	S	C	.	.	H	α-helix	trans	-59.3	-41.4	175.3	173.6	0	0	0	0	110.3	F310 F616 L628 I629 S634 L635 V636	F310-V632 HydrophobicContact CE1-CG2 4.2Å; F310-V632 HydrophobicContact CZ-CG2 4.29Å; F616-V632 HydrophobicContact CE1-CG1 4.28Å; L628-V632 WeakPolarHBondContact O-CG2 3.38Å; L628-V632 PolarHBondContact O-N 3.19Å; I629-V632 PolarHBondContact O-N 2.88Å; V632-S634 VanDerWaalsContact C-N 3.32Å; V632-S634 PolarHBondContact O-N 3.31Å; V632-L635 WeakPolarHBondContact O-CB 3.43Å; V632-L635 PolarHBondContact O-N 3.23Å; V632-V636 WeakPolarHBondContact O-CG2 3.46Å; V632-V636 PolarHBondContact O-N 2.9Å
633	A	85.5	Confident	82	Confident	0 Å²	0	36 Å²	36	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-63	-38.8	175.5	0	0	0	0	0	112.6	F616 Q617 A620 I629 R631 L635 V636 S637	F616-A633 HydrophobicContact CD1-CB 3.42Å; F616-A633 VanDerWaalsContact CD1-CB 3.42Å; F616-A633 HydrophobicContact CE1-CB 3.57Å; F616-A633 HydrophobicContact CG-CB 4.44Å; Q617-A633 PolarHBondContact OE1-O 3.43Å; A620-A633 HydrophobicContact CB-CB 3.69Å; I629-A633 WeakPolarHBondContact O-CB 3.3Å; I629-A633 PolarHBondContact O-N 2.87Å; R631-A633 VanDerWaalsContact C-N 3.25Å; R631-A633 PolarHBondContact O-N 3.21Å; A633-L635 VanDerWaalsContact C-N 3.27Å; A633-L635 PolarHBondContact O-N 2.96Å; A633-V636 PolarHBondContact O-N 2.92Å; A633-S637 WeakPolarHBondContact O-CB 3.08Å; A633-S637 PolarHBondContact O-N 2.91Å; A633-S637 PolarHBondContact O-OG 3.11Å; A633-S637 VanDerWaalsContact O-OG 3.05Å
634	S	84.3	Confident	82.9	Confident	6 Å²	6	31.5 Å²	31.5	4%	0.042	19%	0.191	C	C	.	.	H	α-helix	trans	-64.6	-33.7	175.9	74.2	0	0	0	0	112.8	Q314 G630 R631 V632 S637 S638	Q314-S634 PolarHBondContact NE2-O 2.04Å; Q314-S634 PolarHBondContact OE1-O 3.01Å; Q314-S634 VanDerWaalsContact OE1-O 3.13Å; G630-S634 PolarHBondContact O-N 3.3Å; R631-S634 WeakPolarHBondContact CA-OG 3.34Å; R631-S634 WeakPolarHBondContact O-CB 3.1Å; R631-S634 PolarHBondContact O-N 3.41Å; R631-S634 VanDerWaalsContact O-N 3.08Å; R631-S634 PolarHBondContact O-OG 3.06Å; V632-S634 VanDerWaalsContact C-N 3.32Å; V632-S634 PolarHBondContact O-N 3.31Å; S634-S637 WeakPolarHBondContact CA-OG 3.48Å; S634-S637 PolarHBondContact O-OG 3.14Å; S634-S638 WeakPolarHBondContact O-CB 3.16Å; S634-S638 PolarHBondContact O-N 2.93Å; S634-S638 PolarHBondContact O-OG 3.48Å; S634-S638 VanDerWaalsContact O-OG 3.13Å
635	L	88.4	Confident	84	Confident	42 Å²	42	29.7 Å²	29.7	22%	0.22	18%	0.179	C	C	.	.	H	α-helix	trans	-71.8	-40.7	175.8	-169.3	132.3	0	0	0	112.6	L313 V317 R631 V632 A633 S637 S638 A639	L313-L635 HydrophobicContact CB-CD1 4.22Å; L313-L635 HydrophobicContact CD2-CD1 3.32Å; L313-L635 HydrophobicContact CG-CD1 3.51Å; V317-L635 HydrophobicContact CG2-CD1 4.38Å; V317-L635 HydrophobicContact CG2-CG 4.39Å; R631-L635 PolarHBondContact O-N 3.23Å; V632-L635 WeakPolarHBondContact O-CB 3.43Å; V632-L635 PolarHBondContact O-N 3.23Å; A633-L635 VanDerWaalsContact C-N 3.27Å; A633-L635 PolarHBondContact O-N 2.96Å; L635-S637 VanDerWaalsContact C-N 3.35Å; L635-S638 WeakPolarHBondContact CA-OG 3.09Å; L635-S638 PolarHBondContact O-OG 3.26Å; L635-A639 WeakPolarHBondContact O-CB 3.17Å; L635-A639 PolarHBondContact O-N 3.37Å; L635-A639 VanDerWaalsContact O-N 3.09Å
636	V	89.9	Confident	85.3	Confident	57 Å²	57	30.3 Å²	30.3	35%	0.345	18%	0.177	S	C	.	.	H	α-helix	trans	-65.8	-39.9	175.1	173.3	0	0	0	0	111	V613 V632 A633 A639 Q640	V613-V636 HydrophobicContact CB-CG1 4.13Å; V613-V636 HydrophobicContact CG1-CG1 3.8Å; V632-V636 WeakPolarHBondContact O-CG2 3.46Å; V632-V636 PolarHBondContact O-N 2.9Å; A633-V636 PolarHBondContact O-N 2.92Å; V636-A639 PolarHBondContact O-N 2.95Å; V636-Q640 PolarHBondContact O-N 3Å
637	S	89.1	Confident	86	Confident	4 Å²	4	27.7 Å²	27.7	3%	0.028	16%	0.161	C	C	.	.	H	α-helix	trans	-71.7	-39	178.6	58.2	0	0	0	0	112.8	W269 A633 S634 L635 A639 Q640	W269-S637 PolarHBondContact NE1-OG 2.95Å; W269-S637 VanDerWaalsContact NE1-OG 3.12Å; A633-S637 WeakPolarHBondContact O-CB 3.08Å; A633-S637 PolarHBondContact O-N 2.91Å; A633-S637 PolarHBondContact O-OG 3.11Å; A633-S637 VanDerWaalsContact O-OG 3.05Å; S634-S637 WeakPolarHBondContact CA-OG 3.48Å; S634-S637 PolarHBondContact O-OG 3.14Å; L635-S637 VanDerWaalsContact C-N 3.35Å; S637-A639 VanDerWaalsContact C-N 3.28Å; S637-A639 PolarHBondContact O-N 3.4Å; S637-Q640 WeakPolarHBondContact O-CB 3.47Å; S637-Q640 PolarHBondContact O-N 3.37Å; S637-Q640 VanDerWaalsContact O-N 3.1Å
638	S	89.1	Confident	86.7	Confident	1 Å²	1	25.2 Å²	25.2	1%	0.007	15%	0.145	C	C	.	.	H	α-helix	trans	-64.8	-33.1	173.2	57.7	0	0	0	0	112.7	Q314 V317 S321 S634 L635 Q640	Q314-S638 PolarHBondContact NE2-OG 3.41Å; Q314-S638 PolarHBondContact OE1-OG 3.14Å; V317-S638 WeakPolarHBondContact CG1-OG 3.22Å; S321-S638 VanDerWaalsContact CB-O 3.23Å; S321-S638 WeakPolarHBondContact CB-O 3.43Å; S321-S638 PolarHBondContact OG-O 3.42Å; S634-S638 WeakPolarHBondContact O-CB 3.16Å; S634-S638 PolarHBondContact O-N 2.93Å; S634-S638 PolarHBondContact O-OG 3.48Å; S634-S638 VanDerWaalsContact O-OG 3.13Å; L635-S638 WeakPolarHBondContact CA-OG 3.09Å; L635-S638 PolarHBondContact O-OG 3.26Å; S638-Q640 PolarHBondContact O-N 3.17Å
639	A	92.2	Very high	86.9	Confident	30 Å²	30	23.5 Å²	23.5	25%	0.248	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.6	-9.9	174.1	0	0	0	0	0	114.1	V317 L635 V636 S637 G641 A642 A643	V317-A639 HydrophobicContact CG1-CB 3.82Å; L635-A639 WeakPolarHBondContact O-CB 3.17Å; L635-A639 PolarHBondContact O-N 3.37Å; L635-A639 VanDerWaalsContact O-N 3.09Å; V636-A639 PolarHBondContact O-N 2.95Å; S637-A639 VanDerWaalsContact C-N 3.28Å; S637-A639 PolarHBondContact O-N 3.4Å; A639-G641 PolarHBondContact O-N 3.15Å; A639-A642 PolarHBondContact O-N 3.17Å; A639-A643 WeakPolarHBondContact O-CB 3.09Å; A639-A643 PolarHBondContact O-N 2.8Å
640	Q	91.5	Very high	86.7	Confident	3 Å²	3	22.8 Å²	22.8	1%	0.014	14%	0.138	C	C	.	.	H	α-helix	trans	-55.7	-38.6	-177.8	-169.3	-173.6	15.2	0	0	112.2	I608 V613 V636 S637 S638 A643 L644	I608-Q640 HydrophobicContact CG2-CG 4.36Å; I608-Q640 PolarHBondContact O-NE2 3.15Å; V613-Q640 HydrophobicContact CG2-CB 4.07Å; V613-Q640 HydrophobicContact CG2-CG 3.84Å; V636-Q640 PolarHBondContact O-N 3Å; S637-Q640 WeakPolarHBondContact O-CB 3.47Å; S637-Q640 PolarHBondContact O-N 3.37Å; S637-Q640 VanDerWaalsContact O-N 3.1Å; S638-Q640 PolarHBondContact O-N 3.17Å; Q640-A643 PolarHBondContact O-N 3Å; Q640-L644 WeakPolarHBondContact O-CB 3.27Å; Q640-L644 PolarHBondContact O-N 3.46Å
641	G	92.1	Very high	86.2	Confident	0 Å²	0	25.4 Å²	25.4	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-64.5	-46.6	179	0	0	0	0	0	113	S321 A639 L644 T645	S321-G641 WeakPolarHBondContact OG-CA 3.31Å; S321-G641 PolarHBondContact OG-N 3.07Å; A639-G641 PolarHBondContact O-N 3.15Å; G641-L644 WeakPolarHBondContact O-CB 3.03Å; G641-L644 PolarHBondContact O-N 3.11Å; G641-T645 PolarHBondContact O-N 2.9Å; G641-T645 VanDerWaalsContact O-N 3.14Å; G641-T645 PolarHBondContact O-OG1 2.06Å
642	A	92.9	Very high	85.4	Confident	6 Å²	6	27.6 Å²	27.6	5%	0.05	16%	0.161	C	C	.	.	H	α-helix	trans	-61	-45.4	173	0	0	0	0	0	111.7	F320 S321 C324 A639 L644 T645 F646	F320-A642 HydrophobicContact CD1-CB 3.92Å; F320-A642 HydrophobicContact CE1-CB 3.76Å; S321-A642 PolarHBondContact OG-N 3.47Å; S321-A642 VanDerWaalsContact OG-N 3.16Å; C324-A642 HydrophobicContact CB-CB 4.3Å; A639-A642 PolarHBondContact O-N 3.17Å; A642-L644 VanDerWaalsContact C-N 3.32Å; A642-L644 PolarHBondContact O-N 3.36Å; A642-T645 PolarHBondContact O-N 3.23Å; A642-T645 VanDerWaalsContact O-N 3.14Å; A642-F646 HydrophobicContact CB-CD2 4.49Å; A642-F646 HydrophobicContact CB-CE2 4.27Å; A642-F646 WeakPolarHBondContact O-CD2 2.99Å; A642-F646 PolarHBondContact O-N 3.12Å
643	A	91.9	Very high	84.1	Confident	26 Å²	26	32.8 Å²	32.8	22%	0.215	18%	0.178	C	C	.	.	H	α-helix	trans	-60.2	-41.6	178	0	0	0	0	0	111.9	I608 A639 Q640 T645 F646 T647	I608-A643 HydrophobicContact CD1-CB 4.2Å; I608-A643 HydrophobicContact CG2-CB 3.83Å; A639-A643 WeakPolarHBondContact O-CB 3.09Å; A639-A643 PolarHBondContact O-N 2.8Å; Q640-A643 PolarHBondContact O-N 3Å; A643-T645 VanDerWaalsContact C-N 3.33Å; A643-T645 PolarHBondContact O-N 3.08Å; A643-F646 PolarHBondContact O-N 3.43Å; A643-T647 WeakPolarHBondContact O-CB 3.47Å; A643-T647 WeakPolarHBondContact O-CG2 3.42Å; A643-T647 PolarHBondContact O-N 3.39Å; A643-T647 PolarHBondContact O-OG1 3.11Å
644	L	90.6	Very high	82.4	Confident	2 Å²	2	39.1 Å²	39.1	1%	0.01	20%	0.202	C	C	.	.	H	α-helix	trans	-58.9	-43.6	174.4	-176.3	63.5	0	0	0	111.4	L325 L328 I347 L350 A351 I609 Q640 G641 A642 T647 T648	L325-L644 HydrophobicContact CD2-CD2 4.13Å; L328-L644 HydrophobicContact CD2-CD2 4.39Å; L328-L644 HydrophobicContact CD2-CG 4.21Å; I347-L644 HydrophobicContact CG2-CD1 4.2Å; I347-L644 HydrophobicContact CG2-CD2 4.4Å; I347-L644 HydrophobicContact CG2-CG 4.37Å; L350-L644 HydrophobicContact CD2-CD2 4.19Å; L350-L644 HydrophobicContact CG-CD2 4.32Å; A351-L644 HydrophobicContact CB-CD2 4.06Å; I609-L644 HydrophobicContact CD1-CD1 4.48Å; I609-L644 HydrophobicContact CG1-CD1 3.66Å; Q640-L644 WeakPolarHBondContact O-CB 3.27Å; Q640-L644 PolarHBondContact O-N 3.46Å; G641-L644 WeakPolarHBondContact O-CB 3.03Å; G641-L644 PolarHBondContact O-N 3.11Å; A642-L644 VanDerWaalsContact C-N 3.32Å; A642-L644 PolarHBondContact O-N 3.36Å; L644-T647 PolarHBondContact O-OG1 2.78Å; L644-T648 HydrophobicContact CD1-CG2 4.41Å; L644-T648 WeakPolarHBondContact O-CB 3.44Å; L644-T648 VanDerWaalsContact O-CG2 3.26Å; L644-T648 WeakPolarHBondContact O-CG2 3.39Å; L644-T648 PolarHBondContact O-N 3.17Å; L644-T648 PolarHBondContact O-OG1 3.02Å
645	T	88.9	Confident	80.6	Confident	9 Å²	9	45 Å²	45	6%	0.055	23%	0.227	C	C	.	.	H	α-helix	trans	-64.8	-45.6	176.3	-60.7	0	0	0	0	112.4	C324 L328 G641 A642 A643 T648 T649	C324-T645 VanDerWaalsContact C-OG1 3.28Å; C324-T645 HydrophobicContact CB-CG2 4.27Å; C324-T645 WeakPolarHBondContact O-CG2 2.8Å; C324-T645 PolarHBondContact O-OG1 2.83Å; L328-T645 HydrophobicContact CB-CG2 4.14Å; L328-T645 WeakPolarHBondContact CB-OG1 3.31Å; L328-T645 HydrophobicContact CD1-CG2 4.49Å; G641-T645 PolarHBondContact O-N 2.9Å; G641-T645 VanDerWaalsContact O-N 3.14Å; G641-T645 PolarHBondContact O-OG1 2.06Å; A642-T645 PolarHBondContact O-N 3.23Å; A642-T645 VanDerWaalsContact O-N 3.14Å; A643-T645 VanDerWaalsContact C-N 3.33Å; A643-T645 PolarHBondContact O-N 3.08Å; T645-T648 PolarHBondContact O-OG1 3.47Å; T645-T649 HydrophobicContact CG2-CG2 4.14Å; T645-T649 WeakPolarHBondContact O-CB 3.48Å; T645-T649 VanDerWaalsContact O-CG2 3.25Å; T645-T649 WeakPolarHBondContact O-CG2 2.92Å; T645-T649 PolarHBondContact O-N 3.15Å; T645-T649 PolarHBondContact O-OG1 2.7Å
646	F	88.8	Confident	78.3	Confident	114 Å²	114	44.7 Å²	44.7	50%	0.5	23%	0.231	S	C	.	.	H	α-helix	trans	-67.3	-40.9	-179.9	-71.3	-57.6	0	0	0	113.2	F320 A642 A643 T648 T649 S650	F320-F646 HydrophobicContact CE1-CE2 4.03Å; F320-F646 HydrophobicContact CE1-CZ 4.36Å; F320-F646 HydrophobicContact CZ-CE2 4.07Å; F320-F646 AromaticContact CZ-CZ 3.92Å; F320-F646 HydrophobicContact CZ-CZ 3.92Å; A642-F646 HydrophobicContact CB-CD2 4.49Å; A642-F646 HydrophobicContact CB-CE2 4.27Å; A642-F646 WeakPolarHBondContact O-CD2 2.99Å; A642-F646 PolarHBondContact O-N 3.12Å; A643-F646 PolarHBondContact O-N 3.43Å; F646-T648 VanDerWaalsContact C-N 3.33Å; F646-T648 PolarHBondContact O-N 2.7Å; F646-T649 PolarHBondContact O-OG1 3.01Å; F646-S650 WeakPolarHBondContact O-CB 3.43Å; F646-S650 PolarHBondContact O-N 3.33Å; F646-S650 PolarHBondContact O-OG 3.37Å
647	T	85.2	Confident	75.6	Confident	8 Å²	8	51.2 Å²	51.2	5%	0.049	26%	0.255	C	S	.	.	H	α-helix	trans	-65	-38	179.5	57.6	0	0	0	0	111.6	N605 I608 A643 L644 S650 N651	N605-T647 HydrophobicContact CB-CG2 4.2Å; N605-T647 WeakPolarHBondContact OD1-CG2 2.95Å; I608-T647 HydrophobicContact CD1-CG2 3.83Å; A643-T647 WeakPolarHBondContact O-CB 3.47Å; A643-T647 WeakPolarHBondContact O-CG2 3.42Å; A643-T647 PolarHBondContact O-N 3.39Å; A643-T647 PolarHBondContact O-OG1 3.11Å; L644-T647 PolarHBondContact O-OG1 2.78Å; T647-S650 PolarHBondContact O-OG 3.39Å; T647-N651 PolarHBondContact O-ND2 3.05Å
648	T	83.3	Confident	73.1	Confident	15 Å²	15	56.4 Å²	56.4	9%	0.092	29%	0.286	C	S	.	.	H	α-helix	trans	-77.8	-45.5	179.9	51.2	0	0	0	0	113	L328 I347 L644 T645 F646 N651 L652	L328-T648 WeakPolarHBondContact CD1-OG1 3.44Å; I347-T648 HydrophobicContact CD1-CG2 3.96Å; I347-T648 HydrophobicContact CG2-CG2 4.14Å; L644-T648 HydrophobicContact CD1-CG2 4.41Å; L644-T648 WeakPolarHBondContact O-CB 3.44Å; L644-T648 VanDerWaalsContact O-CG2 3.26Å; L644-T648 WeakPolarHBondContact O-CG2 3.39Å; L644-T648 PolarHBondContact O-N 3.17Å; L644-T648 PolarHBondContact O-OG1 3.02Å; T645-T648 PolarHBondContact O-OG1 3.47Å; F646-T648 VanDerWaalsContact C-N 3.33Å; F646-T648 PolarHBondContact O-N 2.7Å; T648-N651 PolarHBondContact O-N 3.12Å; T648-L652 PolarHBondContact O-N 3.15Å
649	T	79.4	Confident	70.4	Confident	36 Å²	36	61.6 Å²	61.6	22%	0.221	32%	0.318	C	S	.	.	H	α-helix	trans	-69.6	-33.4	-179.9	55.3	0	0	0	0	113.2	T645 F646 N651 L652 K653	T645-T649 HydrophobicContact CG2-CG2 4.14Å; T645-T649 WeakPolarHBondContact O-CB 3.48Å; T645-T649 VanDerWaalsContact O-CG2 3.25Å; T645-T649 WeakPolarHBondContact O-CG2 2.92Å; T645-T649 PolarHBondContact O-N 3.15Å; T645-T649 PolarHBondContact O-OG1 2.7Å; F646-T649 PolarHBondContact O-OG1 3.01Å; T649-N651 VanDerWaalsContact C-N 3.28Å; T649-N651 PolarHBondContact O-N 3.25Å; T649-L652 VanDerWaalsContact O-CB 3.24Å; T649-L652 WeakPolarHBondContact O-CB 3.01Å; T649-L652 PolarHBondContact O-N 3.23Å; T649-L652 VanDerWaalsContact O-N 3.16Å; T649-K653 PolarHBondContact O-N 3.38Å; T649-K653 VanDerWaalsContact O-N 3.07Å
650	S	72.4	Confident	67.3	Low	39 Å²	39	62.9 Å²	62.9	27%	0.273	32%	0.324	S	S	.	.	H	α-helix	trans	-65.6	-32.3	175.6	62.7	0	0	0	0	112.7	F646 T647 R654	F646-S650 WeakPolarHBondContact O-CB 3.43Å; F646-S650 PolarHBondContact O-N 3.33Å; F646-S650 PolarHBondContact O-OG 3.37Å; T647-S650 PolarHBondContact O-OG 3.39Å; S650-R654 PolarHBondContact O-N 2.93Å
651	N	67.6	Low	64.3	Low	67 Å²	67	71.7 Å²	71.7	36%	0.358	37%	0.365	S	S	.	.	H	α-helix	trans	-72.3	-31.3	173.6	-71.5	-36.5	0	0	0	112.4	T647 T648 T649 K655	T647-N651 PolarHBondContact O-ND2 3.05Å; T648-N651 PolarHBondContact O-N 3.12Å; T649-N651 VanDerWaalsContact C-N 3.28Å; T649-N651 PolarHBondContact O-N 3.25Å; N651-K655 PolarHBondContact O-N 3.31Å
652	L	65.4	Low	61.2	Low	54 Å²	54	79.8 Å²	79.8	28%	0.283	40%	0.396	S	S	.	.	H	α-helix	trans	-64.3	-48.6	173.2	-96.5	142.8	0	0	0	112.4	L338 T648 T649 R654 K655 A656	L338-L652 HydrophobicContact CD1-CD1 4.02Å; L338-L652 HydrophobicContact CD1-CD2 3.6Å; L338-L652 HydrophobicContact CD1-CG 4.39Å; L338-L652 HydrophobicContact CD2-CD1 4.5Å; L338-L652 HydrophobicContact CD2-CD2 3.59Å; L338-L652 HydrophobicContact CD2-CG 4.26Å; L338-L652 HydrophobicContact CG-CD2 4.13Å; T648-L652 PolarHBondContact O-N 3.15Å; T649-L652 VanDerWaalsContact O-CB 3.24Å; T649-L652 WeakPolarHBondContact O-CB 3.01Å; T649-L652 PolarHBondContact O-N 3.23Å; T649-L652 VanDerWaalsContact O-N 3.16Å; L652-R654 VanDerWaalsContact C-N 3.28Å; L652-R654 PolarHBondContact O-N 2.86Å; L652-K655 PolarHBondContact O-N 2.03Å; L652-A656 PolarHBondContact O-N 2.96Å
653	K	57.5	Low	58.2	Low	169 Å²	169	85.6 Å²	85.6	74%	0.735	43%	0.431	S	S	*	.	H	α-helix	trans	-58.2	-38.6	177.3	-77.1	-171.6	178.3	-177.1	0	112.3	T649 A656 K657	T649-K653 PolarHBondContact O-N 3.38Å; T649-K653 VanDerWaalsContact O-N 3.07Å; K653-A656 PolarHBondContact O-N 2.62Å; K653-K657 WeakPolarHBondContact O-CB 3.38Å; K653-K657 PolarHBondContact O-N 3.18Å
654	R	50.8	Low	55.4	Low	133 Å²	133	88.3 Å²	88.3	50%	0.502	45%	0.449	S	S	.	.	H	α-helix	trans	-62.6	-42.4	174.1	-84.9	-174.2	-177.8	175	0.1	112.4	S650 L652 K657 T658	S650-R654 PolarHBondContact O-N 2.93Å; L652-R654 VanDerWaalsContact C-N 3.28Å; L652-R654 PolarHBondContact O-N 2.86Å; R654-K657 PolarHBondContact O-N 2.97Å; R654-T658 PolarHBondContact O-N 3.23Å; R654-T658 PolarHBondContact O-OG1 2.95Å
655	K	45.1	Very low	52.6	Low	130 Å²	130	94 Å²	94	57%	0.565	48%	0.478	S	S	*	.	H	α-helix	trans	-70.2	-41	178.1	-72.5	-171.7	179	-176.4	0	112	N651 L652 K657 T658 T659	N651-K655 PolarHBondContact O-N 3.31Å; L652-K655 PolarHBondContact O-N 2.03Å; K655-K657 VanDerWaalsContact C-N 3.33Å; K655-K657 PolarHBondContact O-N 2.03Å; K655-T658 WeakPolarHBondContact CA-OG1 3.12Å; K655-T658 CarbonylContact O-C 3.06Å; K655-T658 PolarHBondContact O-N 3.06Å; K655-T658 VanDerWaalsContact O-N 3.11Å; K655-T658 PolarHBondContact O-OG1 3.28Å; K655-T659 PolarHBondContact O-N 3.45Å; K655-T659 PolarHBondContact O-OG1 3.4Å
656	A	40.4	Very low	49.9	Very low	36 Å²	36	103.1 Å²	103.1	30%	0.298	52%	0.517	S	S	.	.	H	α-helix	trans	-61.5	-41.3	174.9	0	0	0	0	0	111.4	L652 K653 T658 T659 C660	L652-A656 PolarHBondContact O-N 2.96Å; K653-A656 PolarHBondContact O-N 2.62Å; A656-T658 PolarHBondContact O-N 3.25Å; A656-T659 PolarHBondContact O-N 3.01Å; A656-C660 PolarHBondContact O-N 2.73Å
657	K	34.1	Very low	47	Very low	194 Å²	194	102.6 Å²	102.6	84%	0.843	52%	0.523	S	S	*	.	H	α-helix	trans	-65.5	-23.3	175.9	-151.1	175.9	-174	-177.2	0	113.3	K653 R654 K655	K653-K657 WeakPolarHBondContact O-CB 3.38Å; K653-K657 PolarHBondContact O-N 3.18Å; R654-K657 PolarHBondContact O-N 2.97Å; K655-K657 VanDerWaalsContact C-N 3.33Å; K655-K657 PolarHBondContact O-N 2.03Å
658	T	37	Very low	44.2	Very low	113 Å²	113	110.6 Å²	110.6	69%	0.693	57%	0.565	S	S	*	*	H	α-helix	trans	-93.5	-9	172	54.3	0	0	0	0	114.3	R654 K655 A656	R654-T658 PolarHBondContact O-N 3.23Å; R654-T658 PolarHBondContact O-OG1 2.95Å; K655-T658 WeakPolarHBondContact CA-OG1 3.12Å; K655-T658 CarbonylContact O-C 3.06Å; K655-T658 PolarHBondContact O-N 3.06Å; K655-T658 VanDerWaalsContact O-N 3.11Å; K655-T658 PolarHBondContact O-OG1 3.28Å; A656-T658 PolarHBondContact O-N 3.25Å
659	T	31.4	Very low	41.6	Very low	109 Å²	109	114.7 Å²	114.7	67%	0.669	59%	0.594	S	S	*	*	H	α-helix	trans	-136.5	11.8	-174	44.2	0	0	0	0	116.4	K655 A656	K655-T659 PolarHBondContact O-N 3.45Å; K655-T659 PolarHBondContact O-OG1 3.4Å; A656-T659 PolarHBondContact O-N 3.01Å
660	C	27.5	Very low	39	Very low	57 Å²	57	121 Å²	121	39%	0.385	63%	0.627	S	S	.	*			trans	-145.2	106.1	179.8	-60.9	0	0	0	0	115.5	A656 W662	A656-C660 PolarHBondContact O-N 2.73Å; C660-W662 VanDerWaalsContact C-N 3.27Å; C660-W662 HydrophobicContact CB-CB 4.1Å; C660-W662 HydrophobicContact CB-CG 3.64Å; C660-W662 PolarHBondContact O-N 2.75Å; C660-W662 PolarHBondContact SG-NE1 3.17Å
661	E	28.7	Very low	36.9	Very low	188 Å²	188	124 Å²	124	88%	0.879	65%	0.647	S	S	*	*				-56.5	96.3	124.3	-73	174.1	143.4	0	0	107.9	T663	E661-T663 VanDerWaalsContact C-N 3.32Å
662	W	26.2	Very low	35	Very low	171 Å²	171	128.7 Å²	128.7	65%	0.648	67%	0.673	S	S	*	*			trans	-90.8	17.5	179.8	-109.5	112.1	0	0	0	113.1	C660 I665	C660-W662 VanDerWaalsContact C-N 3.27Å; C660-W662 HydrophobicContact CB-CB 4.1Å; C660-W662 HydrophobicContact CB-CG 3.64Å; C660-W662 PolarHBondContact O-N 2.75Å; C660-W662 PolarHBondContact SG-NE1 3.17Å; W662-I665 HydrophobicContact CE3-CD1 3.77Å; W662-I665 HydrophobicContact CH2-CD1 3.75Å; W662-I665 HydrophobicContact CZ3-CD1 3.16Å; W662-I665 HydrophobicContact CZ3-CG1 4.39Å
663	T	30.9	Very low	33.2	Very low	128 Å²	128	132.4 Å²	132.4	79%	0.785	70%	0.697	S	S	*	*			trans	-92.1	-1.1	-172.3	41.5	0	0	0	0	116	E661	E661-T663 VanDerWaalsContact C-N 3.32Å
664	S	32	Very low	31.7	Very low	83 Å²	83	130.4 Å²	130.4	58%	0.58	71%	0.705	S	S	*	*	G	3₁₀ helix	trans	-96.9	5.6	-176.8	61.4	0	0	0	0	116.7	F666 T667	S664-F666 PolarHBondContact O-N 3.3Å; S664-T667 PolarHBondContact O-N 3.34Å; S664-T667 PolarHBondContact O-OG1 2.8Å; S664-T667 VanDerWaalsContact O-OG1 3.1Å
665	I	31.2	Very low	30.7	Very low	121 Å²	121	127.8 Å²	127.8	62%	0.621	72%	0.719	S	S	*	*	G	3₁₀ helix	trans	-75	-7.1	175.7	-77	172.9	0	0	0	113.4	W662	W662-I665 HydrophobicContact CE3-CD1 3.77Å; W662-I665 HydrophobicContact CH2-CD1 3.75Å; W662-I665 HydrophobicContact CZ3-CD1 3.16Å; W662-I665 HydrophobicContact CZ3-CG1 4.39Å
666	F	32.1	Very low	29.7	Very low	200 Å²	200	127.5 Å²	127.5	88%	0.877	73%	0.729	S	S	*	*	G	3₁₀ helix	trans	-103.1	5.2	169.3	-77.4	-70.8	0	0	0	115.4	S664 L668	S664-F666 PolarHBondContact O-N 3.3Å; F666-L668 PolarHBondContact O-N 3.47Å
667	T	29.4	Very low	29	Very low	103 Å²	103	132.7 Å²	132.7	63%	0.632	75%	0.751	S	S	*	*			trans	-100.4	87.8	170.4	50.8	0	0	0	0	110	S664 S669	S664-T667 PolarHBondContact O-N 3.34Å; S664-T667 PolarHBondContact O-OG1 2.8Å; S664-T667 VanDerWaalsContact O-OG1 3.1Å; T667-S669 PolarHBondContact O-N 3.45Å
668	L	25.8	Very low	28.7	Very low	177 Å²	177	132.2 Å²	132.2	93%	0.927	75%	0.752	S	S	*	*			trans	-67.1	99.1	161.1	-164	84.4	0	0	0	107.4	F666	F666-L668 PolarHBondContact O-N 3.47Å
669	S	27.8	Very low	28.3	Very low	100 Å²	100	132.4 Å²	132.4	70%	0.699	75%	0.753	S	S	*	*			trans	-134.5	117.9	160.6	83.1	0	0	0	0	110.9	T667 S671	T667-S669 PolarHBondContact O-N 3.45Å; S669-S671 PolarHBondContact O-N 3.31Å
670	N	26.2	Very low	28.1	Very low	170 Å²	170	137.1 Å²	137.1	91%	0.909	76%	0.764	S	S	*	*			trans	-60.2	126.3	166.8	-82.7	-24.4	0	0	0	109.1
671	S	28.8	Very low	28.1	Very low	101 Å²	101	145.5 Å²	145.5	71%	0.706	79%	0.788	S	S	*	*			trans	-150.8	115.5	143.6	49.5	0	0	0	0	109.7	S669 T673	S669-S671 PolarHBondContact O-N 3.31Å; S671-T673 PolarHBondContact O-N 2.9Å
672	N	26.7	Very low	28.1	Very low	166 Å²	166	144 Å²	144	89%	0.888	79%	0.786	S	S	*	*			trans	-59.3	123.4	163	-74.7	-30.8	0	0	0	108.3
673	T	28.2	Very low	28	Very low	131 Å²	131	147.3 Å²	147.3	80%	0.804	80%	0.798	S	S	*	*			trans	-154.4	114.5	148.7	20.8	0	0	0	0	109.7	S671	S671-T673 PolarHBondContact O-N 2.9Å
674	S	26.1	Very low	27.9	Very low	127 Å²	127	148.6 Å²	148.6	89%	0.888	80%	0.799	S	S	*	*			trans	-57.5	135.3	160.9	36	0	0	0	0	110.4
675	G	28.2	Very low	27.6	Very low	78 Å²	78	156.3 Å²	156.3	80%	0.804	82%	0.815	S	S	*	*			trans	-178	81.9	179	0	0	0	0	0	111
676	T	25	Very low	27.5	Very low	125 Å²	125	155.5 Å²	155.5	77%	0.767	82%	0.818	S	S	*	*			trans	-65.7	141.2	-179	36.7	0	0	0	0	114.1
677	N	26.7	Very low	27.4	Very low	145 Å²	145	154.8 Å²	154.8	78%	0.775	82%	0.817	S	S	*	*			trans	66.4	88.9	141.7	-64	-15.8	0	0	0	119.1
678	H	26.6	Very low	27.5	Very low	184 Å²	184	159.4 Å²	159.4	85%	0.852	83%	0.829	S	S	*	*			trans	-122.1	100.3	150	-105.8	-64.8	0	0	0	111.9
679	T	28.7	Very low	27.6	Very low	117 Å²	117	159 Å²	159	72%	0.718	83%	0.826	S	S	*	*			trans	29.1	110.9	136.1	47.6	0	0	0	0	119	R681	T679-R681 PolarHBondContact O-N 3.48Å
680	F	26.5	Very low	27.6	Very low	207 Å²	207	163.4 Å²	163.4	91%	0.908	83%	0.833	S	S	*	*			trans	-39.9	110.1	162.9	-97.8	-107.6	0	0	0	113.1	N682	F680-N682 PolarHBondContact O-N 3.12Å
681	R	27.5	Very low	27.7	Very low	233 Å²	233	161.7 Å²	161.7	88%	0.879	83%	0.829	S	S	*	*			trans	-77.4	109.1	164.6	-104	-179	177.4	170	0.5	109.2	T679 W683	T679-R681 PolarHBondContact O-N 3.48Å; R681-W683 PolarHBondContact O-N 2.95Å
682	N	29	Very low	27.5	Very low	157 Å²	157	164.7 Å²	164.7	84%	0.84	84%	0.837	S	S	*	*			trans	-55.3	114.8	168.9	-77.2	-28.5	0	0	0	110.4	F680 I684	F680-N682 PolarHBondContact O-N 3.12Å; N682-I684 PolarHBondContact O-N 3.19Å
683	W	24.2	Very low	27.7	Very low	240 Å²	240	162.2 Å²	162.2	91%	0.909	83%	0.833	S	S	*	*			trans	-76.6	107.8	164.9	-83.7	54.6	0	0	0	107.9	R681	R681-W683 PolarHBondContact O-N 2.95Å
684	I	28.6	Very low	27.6	Very low	156 Å²	156	164.4 Å²	164.4	80%	0.8	84%	0.839	S	S	*	*			trans	172.2	103.2	144.3	-82	146.3	0	0	0	104.4	N682 P686	N682-I684 PolarHBondContact O-N 3.19Å; I684-P686 WeakPolarHBondContact O-CD 3.42Å
685	R	25.4	Very low	27.8	Very low	244 Å²	244	167 Å²	167	92%	0.921	84%	0.837	S	S	*	*			trans	-90.2	109.4	172.7	-151.3	-177.4	-152.2	176.7	4.3	105.6	E687	R685-E687 PolarHBondContact O-N 3.08Å
686	P	29.5	Very low	27.6	Very low	104 Å²	104	172.7 Å²	172.7	68%	0.675	84%	0.839	S	S	*	*	P	Polyproline II helix	trans	-70.6	124.4	171	27.2	-26.9	0	0	0	107.6	I684 K688	I684-P686 WeakPolarHBondContact O-CD 3.42Å; P686-K688 PolarHBondContact O-N 2.77Å; P686-K688 VanDerWaalsContact O-N 3.15Å
687	E	30.1	Very low	27.8	Very low	185 Å²	185	172.5 Å²	172.5	86%	0.864	84%	0.84	S	S	*	*	P	Polyproline II helix	trans	-52	117.9	173.4	-80.3	178.5	136	0	0	109.5	R685 L689	R685-E687 PolarHBondContact O-N 3.08Å; E687-L689 PolarHBondContact O-N 3.37Å
688	K	31.4	Very low	28	Very low	201 Å²	201	172.3 Å²	172.3	87%	0.874	84%	0.84	S	S	*	*	P	Polyproline II helix	trans	-70.1	123.4	171.3	-76	-175.3	173.6	-174.6	0	108.2	P686 K690	P686-K688 PolarHBondContact O-N 2.77Å; P686-K688 VanDerWaalsContact O-N 3.15Å; K688-K690 PolarHBondContact O-N 3Å
689	L	27.8	Very low	27.9	Very low	167 Å²	167	168 Å²	168	87%	0.874	83%	0.83	S	S	*	*			trans	-41.7	124.5	167.9	-114.5	79.6	0	0	0	110.8	E687 T691	E687-L689 PolarHBondContact O-N 3.37Å; L689-T691 PolarHBondContact O-N 3.08Å
690	K	27.7	Very low	27.8	Very low	193 Å²	193	169.5 Å²	169.5	84%	0.839	83%	0.833	S	S	*	*			trans	-63.7	112.5	168.5	-81.5	176.6	173.8	176.6	0	109.3	K688	K688-K690 PolarHBondContact O-N 3Å
691	T	28.8	Very low	27.9	Very low	134 Å²	134	168.1 Å²	168.1	82%	0.822	84%	0.835	S	S	*	*			trans	-82.7	125.8	156.8	38.5	0	0	0	0	108.7	L689 S693	L689-T691 PolarHBondContact O-N 3.08Å; T691-S693 PolarHBondContact O-N 3.16Å
692	N	25.9	Very low	27.9	Very low	164 Å²	164	165.7 Å²	165.7	88%	0.877	83%	0.833	S	S	*	*			trans	-55.6	121.5	177	-62.8	-30.1	0	0	0	111.3
693	S	29.8	Very low	27.9	Very low	115 Å²	115	163.6 Å²	163.6	80%	0.804	83%	0.831	S	S	*	*			trans	-138.1	111.4	149.6	65.4	0	0	0	0	108.2	T691 E695	T691-S693 PolarHBondContact O-N 3.16Å; S693-E695 PolarHBondContact O-N 3.41Å
694	L	25.8	Very low	28.2	Very low	176 Å²	176	158.8 Å²	158.8	92%	0.921	83%	0.828	S	S	*	*			trans	-68.3	109.7	175.8	-171.6	97.9	0	0	0	108.3
695	E	30.1	Very low	28.3	Very low	183 Å²	183	160.1 Å²	160.1	86%	0.855	83%	0.828	S	S	*	*			trans	-156.4	114.8	157.7	-115.7	167.2	-161.2	0	0	108.9	S693 P697	S693-E695 PolarHBondContact O-N 3.41Å; E695-P697 WeakPolarHBondContact O-CD 3.25Å
696	K	24.4	Very low	28.4	Very low	196 Å²	196	154.5 Å²	154.5	85%	0.852	83%	0.825	S	S	*	*			trans	-66.5	134.3	167.1	-96.2	174.9	167.1	-179.5	0	108.3
697	P	29.6	Very low	28.9	Very low	121 Å²	121	156.6 Å²	156.6	79%	0.786	83%	0.83	S	S	*	*			trans	-116.9	134.8	145	21.5	-3.6	0	0	0	109.7	E695	E695-P697 WeakPolarHBondContact O-CD 3.25Å
698	D	29.8	Very low	28.9	Very low	142 Å²	142	155.2 Å²	155.2	76%	0.759	83%	0.829	S	S	*	*			trans	-60.4	156	-173.5	-68.8	-52.6	0	0	0	114.9
699	S	26	Very low	29.3	Very low	93 Å²	93	157.3 Å²	157.3	65%	0.65	85%	0.85	S	S	*	*			trans	-31.8	135.1	162.6	51.2	0	0	0	0	115.8
700	N	26.2	Very low	29.4	Very low	148 Å²	148	156.9 Å²	156.9	79%	0.791	85%	0.849	S	S	*	*			trans	137.7	100.1	135.3	-71.8	-28.9	0	0	0	111.2
701	L	28.3	Very low	29.5	Very low	179 Å²	179	154.9 Å²	154.9	94%	0.937	85%	0.849	S	S	*	*			trans	-154.6	112.4	136.2	-140	72.7	0	0	0	110.5
702	Q	27.9	Very low	29.5	Very low	182 Å²	182	156.1 Å²	156.1	85%	0.85	85%	0.851	S	S	*	*			trans	-64.9	158.5	176.2	-90.6	163.9	-39.6	0	0	113
703	S	27.8	Very low	29.7	Very low	112 Å²	112	155.6 Å²	155.6	78%	0.783	85%	0.849	S	S	*	*			trans	-31.2	121.6	171.3	61.7	0	0	0	0	116.1
704	T	31.1	Very low	29.7	Very low	139 Å²	139	158.2 Å²	158.2	85%	0.853	85%	0.852	S	S	*	*			trans	-93.6	107.5	153.2	44.9	0	0	0	0	108.6
705	K	30.9	Very low	30	Very low	185 Å²	185	157 Å²	157	80%	0.804	85%	0.847	S	S	*	*			trans	-54.5	140.6	164.2	-100.3	174.3	168.8	180	0	110.1
706	C	28.5	Very low	30	Very low	125 Å²	125	155.1 Å²	155.1	85%	0.845	85%	0.847	S	S	*	*			trans	-73.6	120.7	162.8	-57.4	0	0	0	0	108.3
707	D	39.4	Very low	30.4	Very low	148 Å²	148	152 Å²	152	79%	0.791	85%	0.846	S	S	*	*			trans	-107.3	137.6	160.3	-77.9	-29.1	0	0	0	108.5
708	D	30.3	Very low	30.5	Very low	157 Å²	157	154.6 Å²	154.6	84%	0.84	85%	0.851	S	S	*	*			trans	-61.8	139.6	-173.5	-64.2	-51	0	0	0	113.1
709	N	39.8	Very low	30.6	Very low	245 Å²	245	155.7 Å²	155.7	100%	1.31	86%	0.86	S	S	*	*			trans	-150.9	0	147.4	-95.8	-24.4	0	0	0	109.4

Retrieved 709 of 709 residues in 661.3 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).