G4VLR7_SCHMA Loading...

NEDD8-activating enzyme E1 regulatory subunit

AlphaFold DB , UniProt , Accession G4VLR7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 605 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	40	Very low	75.2	Confident	241 Å²	241	119.8 Å²	119.8	100%	1.187	55%	0.548	S	S	*	.				0	111.5	0	-81.1	-177	153.6	0	0	108.2	K3	M1-K3 PolarHBondContact O-N 3.35Å
2	H	51.6	Low	76.9	Confident	176 Å²	176	112.7 Å²	112.7	82%	0.815	52%	0.518	S	S	*	.			trans	-62.4	124.9	166.3	-82.8	-2.4	0	0	0	107.7	R4	H2-R4 PolarHBondContact O-N 2.92Å
3	K	57.1	Low	78.4	Confident	197 Å²	197	121.2 Å²	121.2	86%	0.857	54%	0.543	S	S	*	.			trans	-57.4	112.8	170.1	-111.9	178.9	175.9	-177.7	0	105.7	M1 S5	M1-K3 PolarHBondContact O-N 3.35Å; K3-S5 PolarHBondContact O-N 3.05Å
4	R	64.1	Low	79.6	Confident	138 Å²	138	114.7 Å²	114.7	52%	0.521	51%	0.514	S	S	.	.			trans	-48.5	139.8	167.3	-91	-179	176.4	-178	-11.1	108.8	H2 D8 K9 D12	H2-R4 PolarHBondContact O-N 2.92Å; R4-D8 HydrophobicContact CB-CB 4.09Å; R4-D8 HydrophobicContact CG-CB 4.23Å; R4-K9 HydrophobicContact CB-CG 4.16Å; R4-K9 WeakPolarHBondContact O-CE 3.43Å; R4-D12 IonicContact CZ-OD1 2.79Å; R4-D12 IonicContact NH1-OD1 3.84Å; R4-D12 PolarHBondContact NH1-OD1 2.8Å; R4-D12 IonicContact NH2-OD1 2.77Å
5	S	82.3	Confident	80.7	Confident	53 Å²	53	109 Å²	109	37%	0.371	49%	0.49	S	S	.	.			trans	-57.2	155	177.2	85.2	0	0	0	0	109.1	K3 K7 D8 K9	K3-S5 PolarHBondContact O-N 3.05Å; S5-K7 PolarHBondContact O-N 2.97Å; S5-K7 WeakPolarHBondContact OG-CB 3.42Å; S5-K7 PolarHBondContact OG-N 3.45Å; S5-D8 PolarHBondContact N-OD2 3.4Å; S5-D8 VanDerWaalsContact N-OD2 3.12Å; S5-D8 PolarHBondContact O-N 2.84Å; S5-D8 PolarHBondContact OG-N 3.26Å; S5-D8 PolarHBondContact OG-OD1 2.92Å; S5-D8 PolarHBondContact OG-OD2 2.93Å; S5-K9 WeakPolarHBondContact O-CG 3.31Å; S5-K9 PolarHBondContact O-N 3.17Å; S5-K9 VanDerWaalsContact O-N 3.15Å
6	E	84.8	Confident	81.6	Confident	166 Å²	166	113.1 Å²	113.1	78%	0.776	50%	0.501	S	S	*	.	H	α-helix	trans	-59.3	-34.9	176.1	-73.2	-173.6	157.6	0	0	111.3	K9 R10	E6-K9 WeakPolarHBondContact O-CB 3.28Å; E6-K9 PolarHBondContact O-N 3.28Å; E6-R10 PolarHBondContact O-N 2.93Å
7	K	85	Confident	82.4	Confident	64 Å²	64	112.6 Å²	112.6	28%	0.278	50%	0.504	S	S	.	.	H	α-helix	trans	-58.3	-49.9	172	-162.7	179.1	-157.4	-175.1	0	112.9	S5 K9 R10 Y11 E27 E97	S5-K7 PolarHBondContact O-N 2.97Å; S5-K7 WeakPolarHBondContact OG-CB 3.42Å; S5-K7 PolarHBondContact OG-N 3.45Å; K7-K9 PolarHBondContact O-N 3.22Å; K7-R10 WeakPolarHBondContact O-CB 3.29Å; K7-R10 PolarHBondContact O-N 3.32Å; K7-R10 VanDerWaalsContact O-N 3.1Å; K7-Y11 HydrophobicContact CD-CE2 4.32Å; K7-Y11 HydrophobicContact CG-CD2 3.68Å; K7-Y11 HydrophobicContact CG-CE2 3.56Å; K7-Y11 PolarHBondContact O-N 3.2Å; K7-E27 VanDerWaalsContact CE-CD 3.49Å; K7-E27 WeakPolarHBondContact CE-OE1 3.49Å; K7-E27 IonicContact NZ-OE1 3.71Å; K7-E27 PolarHBondContact NZ-OE1 3.15Å; K7-E27 IonicContact NZ-OE2 2.92Å; K7-E27 PolarHBondContact NZ-OE2 2.82Å; K7-E97 WeakPolarHBondContact CE-OE2 3.49Å
8	D	84.9	Confident	83.1	Confident	58 Å²	58	107.1 Å²	107.1	31%	0.31	48%	0.478	S	S	.	.	H	α-helix	trans	-62.1	-30.4	178.4	-53	-11.4	0	0	0	111.4	R4 S5 D12	R4-D8 HydrophobicContact CB-CB 4.09Å; R4-D8 HydrophobicContact CG-CB 4.23Å; S5-D8 PolarHBondContact N-OD2 3.4Å; S5-D8 VanDerWaalsContact N-OD2 3.12Å; S5-D8 PolarHBondContact O-N 2.84Å; S5-D8 PolarHBondContact OG-N 3.26Å; S5-D8 PolarHBondContact OG-OD1 2.92Å; S5-D8 PolarHBondContact OG-OD2 2.93Å; D8-D12 WeakPolarHBondContact O-CA 3.38Å; D8-D12 WeakPolarHBondContact O-CB 3.33Å; D8-D12 PolarHBondContact O-N 3.2Å; D8-D12 VanDerWaalsContact O-N 3.09Å
9	K	90.1	Very high	83.6	Confident	116 Å²	116	102.4 Å²	102.4	50%	0.504	46%	0.463	S	S	.	.	H	α-helix	trans	-74.8	-41.8	175.8	-66.3	174.5	-172.3	168.4	0	111.5	R4 S5 E6 K7	R4-K9 HydrophobicContact CB-CG 4.16Å; R4-K9 WeakPolarHBondContact O-CE 3.43Å; S5-K9 WeakPolarHBondContact O-CG 3.31Å; S5-K9 PolarHBondContact O-N 3.17Å; S5-K9 VanDerWaalsContact O-N 3.15Å; E6-K9 WeakPolarHBondContact O-CB 3.28Å; E6-K9 PolarHBondContact O-N 3.28Å; K7-K9 PolarHBondContact O-N 3.22Å
10	R	92.6	Very high	84	Confident	105 Å²	105	102 Å²	102	40%	0.396	47%	0.465	S	S	.	.	H	α-helix	trans	-60.1	-47.4	177.1	-175.7	-179.5	-176.7	155.3	7	110.6	E6 K7 L94 N95 D96	E6-R10 PolarHBondContact O-N 2.93Å; K7-R10 WeakPolarHBondContact O-CB 3.29Å; K7-R10 PolarHBondContact O-N 3.32Å; K7-R10 VanDerWaalsContact O-N 3.1Å; R10-L94 PolarHBondContact NH2-O 3.1Å; R10-N95 VanDerWaalsContact CZ-CG 3.41Å; R10-N95 PolarHBondContact NH1-OD1 3.4Å; R10-N95 PolarHBondContact NH2-OD1 3.25Å; R10-D96 IonicContact NH1-OD1 3.02Å; R10-D96 PolarHBondContact NH1-OD1 2.79Å
11	Y	95.2	Very high	84.3	Confident	4 Å²	4	100 Å²	100	2%	0.016	46%	0.456	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.7	10.5	-176.1	-54.5	-46	0	0	0	114.2	K7 R13 Q14 L15 Q23 N95 E97	K7-Y11 HydrophobicContact CD-CE2 4.32Å; K7-Y11 HydrophobicContact CG-CD2 3.68Å; K7-Y11 HydrophobicContact CG-CE2 3.56Å; K7-Y11 PolarHBondContact O-N 3.2Å; Y11-R13 PolarHBondContact O-N 3.43Å; Y11-Q14 HydrophobicContact CD1-CG 4.47Å; Y11-Q14 VanDerWaalsContact CD1-NE2 3.33Å; Y11-Q14 HydrophobicContact CG-CG 4.47Å; Y11-Q14 VanDerWaalsContact O-CG 3.26Å; Y11-Q14 WeakPolarHBondContact O-CG 3.28Å; Y11-Q14 PolarHBondContact O-N 2.88Å; Y11-Q14 VanDerWaalsContact O-N 3.11Å; Y11-L15 WeakPolarHBondContact O-CB 3.43Å; Y11-L15 VanDerWaalsContact O-CG 3.25Å; Y11-L15 WeakPolarHBondContact O-CG 3.4Å; Y11-L15 PolarHBondContact O-N 3.27Å; Y11-Q23 HydrophobicContact CD2-CG 4.47Å; Y11-N95 PolarHBondContact OH-ND2 2.94Å; Y11-E97 WeakPolarHBondContact CE2-OE2 3.3Å; Y11-E97 PolarHBondContact OH-OE2 3.17Å
12	D	95.6	Very high	86.9	Confident	34 Å²	34	88.5 Å²	88.5	18%	0.182	40%	0.4	C	S	.	.	H	α-helix	trans	-53.3	-38.8	-174.9	-179.7	78	0	0	0	113.4	R4 D8 R16	R4-D12 IonicContact CZ-OD1 2.79Å; R4-D12 IonicContact NH1-OD1 3.84Å; R4-D12 PolarHBondContact NH1-OD1 2.8Å; R4-D12 IonicContact NH2-OD1 2.77Å; D8-D12 WeakPolarHBondContact O-CA 3.38Å; D8-D12 WeakPolarHBondContact O-CB 3.33Å; D8-D12 PolarHBondContact O-N 3.2Å; D8-D12 VanDerWaalsContact O-N 3.09Å; D12-R16 WeakPolarHBondContact O-CD 3.44Å; D12-R16 WeakPolarHBondContact O-CG 3.31Å; D12-R16 PolarHBondContact O-N 2.82Å; D12-R16 PolarHBondContact O-NE 2.99Å; D12-R16 IonicContact OD1-CZ 3.19Å; D12-R16 IonicContact OD1-NE 2.85Å; D12-R16 IonicContact OD1-NH2 2.64Å; D12-R16 PolarHBondContact OD1-NH2 3.11Å; D12-R16 IonicContact OD2-CZ 3.76Å; D12-R16 IonicContact OD2-NE 2.87Å; D12-R16 PolarHBondContact OD2-NE 2.98Å; D12-R16 IonicContact OD2-NH2 3.58Å; D12-R16 PolarHBondContact OD2-NH2 2.64Å
13	R	96.2	Very high	89	Confident	223 Å²	223	80.5 Å²	80.5	84%	0.842	36%	0.363	S	S	*	.	H	α-helix	trans	-67.8	-43	-178.2	-68.5	-174.3	177.3	-176.5	-0	112.3	Y11	Y11-R13 PolarHBondContact O-N 3.43Å
14	Q	95.4	Very high	90.8	Very high	31 Å²	31	73.2 Å²	73.2	15%	0.145	33%	0.331	C	S	.	.	H	α-helix	trans	-81.8	-29.6	-177.7	69.5	-171	53	0	0	112.4	Y11 R16 L17 W18 P50	Y11-Q14 HydrophobicContact CD1-CG 4.47Å; Y11-Q14 VanDerWaalsContact CD1-NE2 3.33Å; Y11-Q14 HydrophobicContact CG-CG 4.47Å; Y11-Q14 VanDerWaalsContact O-CG 3.26Å; Y11-Q14 WeakPolarHBondContact O-CG 3.28Å; Y11-Q14 PolarHBondContact O-N 2.88Å; Y11-Q14 VanDerWaalsContact O-N 3.11Å; Q14-R16 PolarHBondContact O-N 3.29Å; Q14-R16 VanDerWaalsContact O-N 3.15Å; Q14-L17 WeakPolarHBondContact O-CA 3.44Å; Q14-L17 WeakPolarHBondContact O-CB 3.26Å; Q14-L17 PolarHBondContact O-N 3.48Å; Q14-W18 HydrophobicContact CB-CH2 4.01Å; Q14-W18 HydrophobicContact CB-CZ2 3.45Å; Q14-W18 VanDerWaalsContact CB-CZ2 3.45Å; Q14-W18 HydrophobicContact CG-CZ2 3.75Å; Q14-W18 PolarHBondContact O-N 3.15Å; Q14-W18 VanDerWaalsContact O-N 3.15Å; Q14-P50 PolarHBondContact NE2-O 3.3Å
15	L	95.3	Very high	92.3	Very high	29 Å²	29	67.6 Å²	67.6	15%	0.152	31%	0.314	C	S	.	.	H	α-helix	trans	-58.5	-25.6	170.1	-73.7	172.5	0	0	0	112.4	Y11 L17 G19 Q23	Y11-L15 WeakPolarHBondContact O-CB 3.43Å; Y11-L15 VanDerWaalsContact O-CG 3.25Å; Y11-L15 WeakPolarHBondContact O-CG 3.4Å; Y11-L15 PolarHBondContact O-N 3.27Å; L15-L17 VanDerWaalsContact C-N 3.27Å; L15-L17 PolarHBondContact O-N 3.31Å; L15-G19 WeakPolarHBondContact O-CA 3.44Å; L15-G19 PolarHBondContact O-N 2.85Å; L15-Q23 HydrophobicContact CD2-CB 3.57Å; L15-Q23 HydrophobicContact CD2-CG 3.94Å
16	R	95.2	Very high	92.9	Very high	175 Å²	175	65 Å²	65	66%	0.66	30%	0.296	S	S	*	.	H	α-helix	trans	-75.4	-15.1	174.1	-66.6	163.3	-172.5	-83	-1.7	113.7	D12 Q14	D12-R16 WeakPolarHBondContact O-CD 3.44Å; D12-R16 WeakPolarHBondContact O-CG 3.31Å; D12-R16 PolarHBondContact O-N 2.82Å; D12-R16 PolarHBondContact O-NE 2.99Å; D12-R16 IonicContact OD1-CZ 3.19Å; D12-R16 IonicContact OD1-NE 2.85Å; D12-R16 IonicContact OD1-NH2 2.64Å; D12-R16 PolarHBondContact OD1-NH2 3.11Å; D12-R16 IonicContact OD2-CZ 3.76Å; D12-R16 IonicContact OD2-NE 2.87Å; D12-R16 PolarHBondContact OD2-NE 2.98Å; D12-R16 IonicContact OD2-NH2 3.58Å; D12-R16 PolarHBondContact OD2-NH2 2.64Å; Q14-R16 PolarHBondContact O-N 3.29Å; Q14-R16 VanDerWaalsContact O-N 3.15Å
17	L	95.6	Very high	93.5	Very high	105 Å²	105	59.2 Å²	59.2	55%	0.55	27%	0.269	S	S	.	.	H	α-helix	trans	-94.9	-55.3	179.3	-61.5	175.6	0	0	0	110.7	Q14 L15	Q14-L17 WeakPolarHBondContact O-CA 3.44Å; Q14-L17 WeakPolarHBondContact O-CB 3.26Å; Q14-L17 PolarHBondContact O-N 3.48Å; L15-L17 VanDerWaalsContact C-N 3.27Å; L15-L17 PolarHBondContact O-N 3.31Å
18	W	94	Very high	94	Very high	12 Å²	12	63.7 Å²	63.7	5%	0.045	29%	0.285	C	S	.	.	H	α-helix	trans	-111.8	-1	-173.7	48.3	65	0	0	0	115.4	Q14 G22 L26 P50 I577 Q583	Q14-W18 HydrophobicContact CB-CH2 4.01Å; Q14-W18 HydrophobicContact CB-CZ2 3.45Å; Q14-W18 VanDerWaalsContact CB-CZ2 3.45Å; Q14-W18 HydrophobicContact CG-CZ2 3.75Å; Q14-W18 PolarHBondContact O-N 3.15Å; Q14-W18 VanDerWaalsContact O-N 3.15Å; W18-G22 WeakPolarHBondContact O-CA 3.06Å; W18-G22 PolarHBondContact O-N 3.2Å; W18-L26 HydrophobicContact CZ2-CD2 4.16Å; W18-P50 HydrophobicContact CH2-CB 4.29Å; W18-P50 HydrophobicContact CZ2-CB 4.05Å; W18-I577 HydrophobicContact CD2-CG2 4.49Å; W18-I577 HydrophobicContact CE3-CG2 3.84Å; W18-I577 HydrophobicContact CH2-CD1 3.85Å; W18-I577 HydrophobicContact CH2-CG2 3.96Å; W18-I577 HydrophobicContact CZ3-CD1 4.19Å; W18-I577 HydrophobicContact CZ3-CG2 3.58Å; W18-Q583 PolarHBondContact O-NE2 3.44Å; W18-Q583 PolarHBondContact O-OE1 2.96Å
19	G	92.9	Very high	94.6	Very high	19 Å²	19	61.1 Å²	61.1	20%	0.196	27%	0.272	C	S	.	.	H	α-helix	trans	68.5	179.2	177.8	0	0	0	0	0	114.3	L15 H21 G22 Q23	L15-G19 WeakPolarHBondContact O-CA 3.44Å; L15-G19 PolarHBondContact O-N 2.85Å; G19-H21 VanDerWaalsContact C-N 3.28Å; G19-H21 PolarHBondContact O-N 3.42Å; G19-G22 PolarHBondContact O-N 2.97Å; G19-Q23 WeakPolarHBondContact O-CB 3.3Å; G19-Q23 PolarHBondContact O-N 3.01Å
20	D	92	Very high	95	Very high	93 Å²	93	60.4 Å²	60.4	50%	0.497	27%	0.269	S	S	.	.	H	α-helix	trans	-65.1	-32.2	-179.2	-56.2	-58	0	0	0	112.5	F24 Y335	D20-F24 WeakPolarHBondContact O-CB 3.49Å; D20-F24 PolarHBondContact O-N 3.22Å; D20-Y335 HydrophobicContact CB-CE2 4.37Å
21	H	90.6	Very high	95.3	Very high	61 Å²	61	55.4 Å²	55.4	28%	0.282	25%	0.25	S	S	.	.	H	α-helix	trans	-76.2	-37.9	-179.7	56.6	-80.7	0	0	0	112.4	G19 Q23 F24 A25 E171 Y335 Q583	G19-H21 VanDerWaalsContact C-N 3.28Å; G19-H21 PolarHBondContact O-N 3.42Å; H21-Q23 VanDerWaalsContact C-N 3.32Å; H21-F24 PolarHBondContact O-N 2.91Å; H21-A25 PolarHBondContact O-N 3.24Å; H21-E171 IonicContact CD2-OE2 3.09Å; H21-E171 IonicContact CE1-OE2 3.43Å; H21-E171 IonicContact NE2-OE1 2.69Å; H21-E171 IonicContact NE2-OE2 3.76Å; H21-E171 PolarHBondContact NE2-OE2 3.01Å; H21-Y335 HydrophobicContact CB-CD1 3.57Å; H21-Y335 HydrophobicContact CB-CE1 4.27Å; H21-Y335 HydrophobicContact CB-CG 3.77Å; H21-Q583 PolarHBondContact CD2-NE2 3.43Å; H21-Q583 VanDerWaalsContact CD2-NE2 3.27Å; H21-Q583 PolarHBondContact NE2-NE2 2.59Å
22	G	94.1	Very high	95.5	Very high	0 Å²	0	55.2 Å²	55.2	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-64.4	-40.8	170.3	0	0	0	0	0	111.1	W18 G19 F24 A25 L26 T581	W18-G22 WeakPolarHBondContact O-CA 3.06Å; W18-G22 PolarHBondContact O-N 3.2Å; G19-G22 PolarHBondContact O-N 2.97Å; G22-F24 VanDerWaalsContact C-N 3.34Å; G22-F24 PolarHBondContact O-N 3.12Å; G22-A25 PolarHBondContact O-N 2.75Å; G22-L26 PolarHBondContact O-N 2.74Å; G22-T581 WeakPolarHBondContact O-CG2 3.4Å
23	Q	95.7	Very high	95.6	Very high	8 Å²	8	53.6 Å²	53.6	4%	0.037	24%	0.241	C	C	.	.	H	α-helix	trans	-61.9	-42.9	173.9	-173.4	61.4	30.2	0	0	112	Y11 L15 G19 H21 A25 L26 E27 P50	Y11-Q23 HydrophobicContact CD2-CG 4.47Å; L15-Q23 HydrophobicContact CD2-CB 3.57Å; L15-Q23 HydrophobicContact CD2-CG 3.94Å; G19-Q23 WeakPolarHBondContact O-CB 3.3Å; G19-Q23 PolarHBondContact O-N 3.01Å; H21-Q23 VanDerWaalsContact C-N 3.32Å; Q23-A25 PolarHBondContact O-N 2.7Å; Q23-L26 WeakPolarHBondContact O-CB 3.48Å; Q23-L26 PolarHBondContact O-N 3.18Å; Q23-E27 HydrophobicContact CG-CG 4.46Å; Q23-E27 VanDerWaalsContact CG-OE1 3.26Å; Q23-E27 WeakPolarHBondContact CG-OE1 3.4Å; Q23-E27 PolarHBondContact NE2-OE1 2.82Å; Q23-E27 VanDerWaalsContact O-CG 3.29Å; Q23-E27 WeakPolarHBondContact O-CG 3.34Å; Q23-E27 PolarHBondContact O-N 2.81Å; Q23-P50 PolarHBondContact NE2-O 3.05Å
24	F	94.7	Very high	95.7	Very high	43 Å²	43	43 Å²	43	19%	0.189	20%	0.201	C	C	.	.	H	α-helix	trans	-60.7	-44.9	175	-175.7	-84.9	0	0	0	111.6	D20 H21 G22 L26 E27 Y28 V334 Y335	D20-F24 WeakPolarHBondContact O-CB 3.49Å; D20-F24 PolarHBondContact O-N 3.22Å; H21-F24 PolarHBondContact O-N 2.91Å; G22-F24 VanDerWaalsContact C-N 3.34Å; G22-F24 PolarHBondContact O-N 3.12Å; F24-L26 VanDerWaalsContact C-N 3.26Å; F24-L26 PolarHBondContact O-N 3.29Å; F24-E27 PolarHBondContact O-N 3Å; F24-Y28 HydrophobicContact CD1-CD2 4.04Å; F24-Y28 HydrophobicContact CD1-CE2 4.34Å; F24-Y28 HydrophobicContact CD2-CD2 4.09Å; F24-Y28 AromaticContact CD2-CE2 3.67Å; F24-Y28 HydrophobicContact CD2-CE2 3.67Å; F24-Y28 AromaticContact CE1-CD2 3.79Å; F24-Y28 HydrophobicContact CE1-CD2 3.79Å; F24-Y28 AromaticContact CE1-CE2 3.92Å; F24-Y28 HydrophobicContact CE1-CE2 3.92Å; F24-Y28 HydrophobicContact CE1-CG 4.24Å; F24-Y28 AromaticContact CE2-CD2 3.86Å; F24-Y28 HydrophobicContact CE2-CD2 3.86Å; F24-Y28 AromaticContact CE2-CE2 3.17Å; F24-Y28 HydrophobicContact CE2-CE2 3.17Å; F24-Y28 AromaticContact CE2-CZ 3.69Å; F24-Y28 HydrophobicContact CG-CD2 4.19Å; F24-Y28 HydrophobicContact CG-CE2 4.23Å; F24-Y28 AromaticContact CZ-CD2 3.69Å; F24-Y28 HydrophobicContact CZ-CD2 3.69Å; F24-Y28 HydrophobicContact CZ-CE1 4.25Å; F24-Y28 AromaticContact CZ-CE2 3.31Å; F24-Y28 HydrophobicContact CZ-CE2 3.31Å; F24-Y28 HydrophobicContact CZ-CG 4.3Å; F24-Y28 AromaticContact CZ-CZ 3.61Å; F24-Y28 VanDerWaalsContact O-CD2 3.27Å; F24-Y28 WeakPolarHBondContact O-CD2 3.16Å; F24-Y28 PolarHBondContact O-N 3.36Å; F24-V334 HydrophobicContact CE1-CG1 4.11Å; F24-V334 HydrophobicContact CZ-CG1 3.77Å; F24-Y335 HydrophobicContact CB-CD2 4.09Å; F24-Y335 HydrophobicContact CB-CG 4.47Å; F24-Y335 WeakPolarHBondContact CD1-O 3.16Å; F24-Y335 HydrophobicContact CD2-CD2 4.28Å; F24-Y335 WeakPolarHBondContact CE1-O 3.23Å; F24-Y335 HydrophobicContact CG-CD2 4.19Å
25	A	95.2	Very high	95.7	Very high	20 Å²	20	41.7 Å²	41.7	17%	0.165	19%	0.194	C	C	.	.	H	α-helix	trans	-58.2	-41	175.6	0	0	0	0	0	111.6	H21 G22 Q23 Y28 A29 I580	H21-A25 PolarHBondContact O-N 3.24Å; G22-A25 PolarHBondContact O-N 2.75Å; Q23-A25 PolarHBondContact O-N 2.7Å; A25-Y28 PolarHBondContact O-N 3.16Å; A25-A29 PolarHBondContact O-N 3Å; A25-I580 HydrophobicContact CB-CG2 4.27Å; A25-I580 WeakPolarHBondContact O-CG2 3.49Å
26	L	96.8	Very high	95.6	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-63.6	-45.6	177.8	-170.9	60.2	0	0	0	112.8	W18 G22 Q23 F24 Y28 A29 P50 V52 G53 I577 I580	W18-L26 HydrophobicContact CZ2-CD2 4.16Å; G22-L26 PolarHBondContact O-N 2.74Å; Q23-L26 WeakPolarHBondContact O-CB 3.48Å; Q23-L26 PolarHBondContact O-N 3.18Å; F24-L26 VanDerWaalsContact C-N 3.26Å; F24-L26 PolarHBondContact O-N 3.29Å; L26-Y28 PolarHBondContact O-N 2.95Å; L26-A29 WeakPolarHBondContact O-CB 3.45Å; L26-A29 PolarHBondContact O-N 3.4Å; L26-P50 HydrophobicContact CD2-CB 3.76Å; L26-P50 HydrophobicContact CD2-CG 4.08Å; L26-P50 WeakPolarHBondContact CD2-O 3.41Å; L26-V52 HydrophobicContact CD1-CB 4.16Å; L26-V52 HydrophobicContact CD1-CG2 4.3Å; L26-V52 CarbonylContact O-C 3.27Å; L26-V52 WeakPolarHBondContact O-CA 3.38Å; L26-G53 PolarHBondContact O-N 3.24Å; L26-I577 HydrophobicContact CD1-CG1 4.36Å; L26-I580 HydrophobicContact CD1-CD1 3.84Å; L26-I580 HydrophobicContact CD1-CG2 4.29Å
27	E	96.6	Very high	95.6	Very high	44 Å²	44	32.9 Å²	32.9	21%	0.206	16%	0.16	C	C	.	.	H	α-helix	trans	-69.6	-16.1	-178.2	-71.5	170.8	-177.8	0	0	114.5	K7 Q23 F24 G51 G53	K7-E27 VanDerWaalsContact CE-CD 3.49Å; K7-E27 WeakPolarHBondContact CE-OE1 3.49Å; K7-E27 IonicContact NZ-OE1 3.71Å; K7-E27 PolarHBondContact NZ-OE1 3.15Å; K7-E27 IonicContact NZ-OE2 2.92Å; K7-E27 PolarHBondContact NZ-OE2 2.82Å; Q23-E27 HydrophobicContact CG-CG 4.46Å; Q23-E27 VanDerWaalsContact CG-OE1 3.26Å; Q23-E27 WeakPolarHBondContact CG-OE1 3.4Å; Q23-E27 PolarHBondContact NE2-OE1 2.82Å; Q23-E27 VanDerWaalsContact O-CG 3.29Å; Q23-E27 WeakPolarHBondContact O-CG 3.34Å; Q23-E27 PolarHBondContact O-N 2.81Å; F24-E27 PolarHBondContact O-N 3Å; E27-G51 WeakPolarHBondContact CA-O 3.46Å; E27-G51 WeakPolarHBondContact CG-O 3.49Å; E27-G53 VanDerWaalsContact C-CA 3.45Å; E27-G53 WeakPolarHBondContact O-CA 3.34Å
28	Y	96.3	Very high	95.6	Very high	157 Å²	157	27.9 Å²	27.9	62%	0.616	13%	0.134	S	C	*	.	H	α-helix	trans	-104.7	-7.6	176.4	-78.5	-99.9	0	0	0	112.9	F24 A25 L26	F24-Y28 HydrophobicContact CD1-CD2 4.04Å; F24-Y28 HydrophobicContact CD1-CE2 4.34Å; F24-Y28 HydrophobicContact CD2-CD2 4.09Å; F24-Y28 AromaticContact CD2-CE2 3.67Å; F24-Y28 HydrophobicContact CD2-CE2 3.67Å; F24-Y28 AromaticContact CE1-CD2 3.79Å; F24-Y28 HydrophobicContact CE1-CD2 3.79Å; F24-Y28 AromaticContact CE1-CE2 3.92Å; F24-Y28 HydrophobicContact CE1-CE2 3.92Å; F24-Y28 HydrophobicContact CE1-CG 4.24Å; F24-Y28 AromaticContact CE2-CD2 3.86Å; F24-Y28 HydrophobicContact CE2-CD2 3.86Å; F24-Y28 AromaticContact CE2-CE2 3.17Å; F24-Y28 HydrophobicContact CE2-CE2 3.17Å; F24-Y28 AromaticContact CE2-CZ 3.69Å; F24-Y28 HydrophobicContact CG-CD2 4.19Å; F24-Y28 HydrophobicContact CG-CE2 4.23Å; F24-Y28 AromaticContact CZ-CD2 3.69Å; F24-Y28 HydrophobicContact CZ-CD2 3.69Å; F24-Y28 HydrophobicContact CZ-CE1 4.25Å; F24-Y28 AromaticContact CZ-CE2 3.31Å; F24-Y28 HydrophobicContact CZ-CE2 3.31Å; F24-Y28 HydrophobicContact CZ-CG 4.3Å; F24-Y28 AromaticContact CZ-CZ 3.61Å; F24-Y28 VanDerWaalsContact O-CD2 3.27Å; F24-Y28 WeakPolarHBondContact O-CD2 3.16Å; F24-Y28 PolarHBondContact O-N 3.36Å; A25-Y28 PolarHBondContact O-N 3.16Å; L26-Y28 PolarHBondContact O-N 2.95Å
29	A	97.1	Very high	95.7	Very high	4 Å²	4	27.3 Å²	27.3	3%	0.033	13%	0.132	C	C	.	.			trans	-71.7	144.8	179.8	0	0	0	0	0	112.5	A25 L26 V52 G53 S54 D122 I580	A25-A29 PolarHBondContact O-N 3Å; L26-A29 WeakPolarHBondContact O-CB 3.45Å; L26-A29 PolarHBondContact O-N 3.4Å; A29-V52 HydrophobicContact CB-CG2 4.3Å; A29-G53 WeakPolarHBondContact O-CA 3.32Å; A29-G53 PolarHBondContact O-N 2.91Å; A29-S54 PolarHBondContact O-N 3.47Å; A29-D122 WeakPolarHBondContact CA-OD2 3.47Å; A29-I580 HydrophobicContact CB-CB 4.41Å; A29-I580 HydrophobicContact CB-CD1 3.79Å; A29-I580 HydrophobicContact CB-CG1 3.96Å; A29-I580 HydrophobicContact CB-CG2 3.56Å
30	K	98.2	Very high	96	Very high	101 Å²	101	26.4 Å²	26.4	44%	0.439	12%	0.123	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	115.9	175.7	-56.6	-173.1	175.5	176.9	0	109.8	S54 S120 F121 D122 I123	K30-S54 WeakPolarHBondContact CA-O 3.44Å; K30-S54 WeakPolarHBondContact CG-OG 3.24Å; K30-S120 VanDerWaalsContact CD-O 3.31Å; K30-S120 WeakPolarHBondContact CD-O 3.34Å; K30-F121 HydrophobicContact CB-CD1 4.14Å; K30-D122 PolarHBondContact N-OD2 3.22Å; K30-D122 PolarHBondContact O-N 3.43Å; K30-I123 PolarHBondContact O-N 3.1Å
31	V	98.7	Very high	96.3	Very high	0 Å²	0	22 Å²	22	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	131.2	-177	178.1	0	0	0	0	110.4	L44 L47 V52 S54 F55 T56 I123 I125 I580	V31-L44 HydrophobicContact CG1-CD2 4.49Å; V31-L47 HydrophobicContact CG1-CD1 4.2Å; V31-V52 HydrophobicContact CG2-CG2 3.76Å; V31-S54 PolarHBondContact N-O 2.97Å; V31-F55 CarbonylContact O-C 3.6Å; V31-F55 WeakPolarHBondContact O-CA 3.49Å; V31-T56 PolarHBondContact O-N 3.09Å; V31-I123 WeakPolarHBondContact CA-O 3.15Å; V31-I125 HydrophobicContact CG1-CD1 3.5Å; V31-I125 HydrophobicContact CG1-CG1 3.98Å; V31-I580 HydrophobicContact CG2-CD1 4.17Å
32	C	98.7	Very high	96.6	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	130.7	168.2	-177.8	0	0	0	0	109.5	L34 T56 F121 I123 V124 I125	C32-L34 VanDerWaalsContact SG-CD2 3.53Å; C32-T56 WeakPolarHBondContact CA-O 3.3Å; C32-F121 HydrophobicContact CB-CB 4.27Å; C32-F121 HydrophobicContact CB-CD1 3.72Å; C32-F121 HydrophobicContact CB-CD2 3.56Å; C32-F121 HydrophobicContact CB-CE1 3.86Å; C32-F121 HydrophobicContact CB-CE2 3.69Å; C32-F121 HydrophobicContact CB-CG 3.57Å; C32-F121 HydrophobicContact CB-CZ 3.85Å; C32-I123 PolarHBondContact N-O 3.46Å; C32-V124 HydrophobicContact CB-CG1 4.48Å; C32-V124 HydrophobicContact CB-CG2 4.26Å; C32-I125 PolarHBondContact O-N 2.73Å
33	L	98.7	Very high	96.9	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	126.3	170.2	176.4	72.5	0	0	0	109.4	A36 G40 L44 T56 V57 I58 I125 T127	L33-A36 HydrophobicContact CD2-CB 4.15Å; L33-G40 WeakPolarHBondContact CD2-O 3.33Å; L33-L44 HydrophobicContact CB-CD1 3.93Å; L33-L44 HydrophobicContact CB-CD2 4.4Å; L33-L44 HydrophobicContact CB-CG 4.25Å; L33-L44 HydrophobicContact CD2-CD1 3.39Å; L33-L44 HydrophobicContact CD2-CG 3.81Å; L33-L44 HydrophobicContact CG-CD1 4.27Å; L33-T56 PolarHBondContact N-O 3.44Å; L33-V57 HydrophobicContact CD2-CG2 4.46Å; L33-I58 PolarHBondContact O-N 3.5Å; L33-I125 CarbonylContact C-O 3.59Å; L33-I125 WeakPolarHBondContact CA-O 3.45Å; L33-I125 HydrophobicContact CD1-CB 4.04Å; L33-I125 HydrophobicContact CD1-CG2 3.84Å; L33-T127 HydrophobicContact CD1-CG2 3.95Å
34	L	97.8	Very high	97	Very high	1 Å²	1	19 Å²	19	1%	0.005	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	116.7	171.1	-47	-173.1	0	0	0	108.9	C32 I58 V107 F118 V124 I125 V126 T127 L137	C32-L34 VanDerWaalsContact SG-CD2 3.53Å; L34-I58 HydrophobicContact CD2-CB 3.86Å; L34-I58 HydrophobicContact CD2-CD1 3.95Å; L34-I58 HydrophobicContact CD2-CG1 4.13Å; L34-V107 HydrophobicContact CB-CG2 4.25Å; L34-V107 HydrophobicContact CD1-CG1 3.8Å; L34-V107 HydrophobicContact CD1-CG2 4.32Å; L34-V107 HydrophobicContact CD2-CG2 4.24Å; L34-F118 HydrophobicContact CD1-CE1 4.3Å; L34-F118 HydrophobicContact CD2-CE1 3.97Å; L34-V124 HydrophobicContact CD1-CG1 4.08Å; L34-V124 HydrophobicContact CG-CG1 4.2Å; L34-I125 PolarHBondContact N-O 2.83Å; L34-V126 HydrophobicContact CB-CG1 4.27Å; L34-V126 HydrophobicContact CD1-CB 4.43Å; L34-V126 HydrophobicContact CD1-CG1 4.18Å; L34-V126 HydrophobicContact CD1-CG2 3.69Å; L34-V126 HydrophobicContact CG-CG2 4.19Å; L34-T127 PolarHBondContact O-N 3.19Å; L34-T127 VanDerWaalsContact O-N 3.09Å; L34-T127 PolarHBondContact O-OG1 3.32Å; L34-L137 HydrophobicContact CD1-CD1 3.6Å; L34-L137 HydrophobicContact CD1-CD2 4.37Å
35	R	94.9	Very high	97.2	Very high	3 Å²	3	19.5 Å²	19.5	1%	0.011	9%	0.087	C	C	.	.			trans	66.5	128	-173.4	-61.2	173.4	60.2	166.3	1.3	114.8	E37 I58 D59 T127 D128 Y481	R35-E37 HydrophobicContact CB-CG 4.48Å; R35-E37 IonicContact CZ-OE1 3.09Å; R35-E37 IonicContact NE-OE1 2.91Å; R35-E37 VanDerWaalsContact NH2-CD 3.35Å; R35-E37 IonicContact NH2-OE1 2.67Å; R35-E37 PolarHBondContact NH2-OE1 3.38Å; R35-E37 IonicContact NH2-OE2 3.92Å; R35-I58 PolarHBondContact N-O 2.95Å; R35-D59 WeakPolarHBondContact CA-OD2 3.41Å; R35-T127 WeakPolarHBondContact CB-OG1 3.38Å; R35-T127 PolarHBondContact O-OG1 3.49Å; R35-D128 WeakPolarHBondContact CD-OD2 3.49Å; R35-D128 IonicContact CZ-OD2 3.82Å; R35-D128 IonicContact NE-OD2 3.68Å; R35-D128 IonicContact NH1-OD2 3.61Å; R35-D128 PolarHBondContact NH1-OD2 2.81Å; R35-Y481 VanDerWaalsContact CZ-CZ 3.5Å; R35-Y481 PolarHBondContact NH1-OH 2.95Å; R35-Y481 VanDerWaalsContact NH1-OH 3.08Å; R35-Y481 PolarHBondContact NH2-O 3.03Å
36	A	94.8	Very high	97.4	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	9%	0.092	C	C	.	.			trans	-110.4	53.2	-176.4	0	0	0	0	0	111.2	L33 V57 D59 N71 R83 V87	L33-A36 HydrophobicContact CD2-CB 4.15Å; A36-V57 HydrophobicContact CB-CG1 3.55Å; A36-D59 PolarHBondContact N-OD2 2.67Å; A36-N71 PolarHBondContact O-ND2 3.39Å; A36-N71 VanDerWaalsContact O-ND2 3.14Å; A36-R83 WeakPolarHBondContact O-CD 3.41Å; A36-V87 HydrophobicContact CB-CB 4.07Å; A36-V87 HydrophobicContact CB-CG1 4Å; A36-V87 HydrophobicContact CB-CG2 4.13Å
37	E	93.5	Very high	97.5	Very high	20 Å²	20	20.9 Å²	20.9	9%	0.093	9%	0.092	C	C	.	.	S	Bend	trans	-70.9	-170	166.6	-44	-153.4	142.6	0	0	110	R35 L39 G40 A41 R83 E560	R35-E37 HydrophobicContact CB-CG 4.48Å; R35-E37 IonicContact CZ-OE1 3.09Å; R35-E37 IonicContact NE-OE1 2.91Å; R35-E37 VanDerWaalsContact NH2-CD 3.35Å; R35-E37 IonicContact NH2-OE1 2.67Å; R35-E37 PolarHBondContact NH2-OE1 3.38Å; R35-E37 IonicContact NH2-OE2 3.92Å; E37-L39 VanDerWaalsContact C-N 3.3Å; E37-L39 PolarHBondContact O-N 3.12Å; E37-G40 PolarHBondContact O-N 3.47Å; E37-A41 WeakPolarHBondContact O-CB 3.34Å; E37-A41 PolarHBondContact O-N 3.38Å; E37-R83 IonicContact OE1-CZ 3.47Å; E37-R83 IonicContact OE1-NH1 3.65Å; E37-R83 PolarHBondContact OE1-NH1 3.32Å; E37-R83 IonicContact OE1-NH2 3.36Å; E37-R83 PolarHBondContact OE1-NH2 3.4Å; E37-E560 WeakPolarHBondContact CB-OE2 3.37Å
38	G	95.6	Very high	97.6	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-57.2	-43.8	-177.3	0	0	0	0	0	112.1	E42 S70 E560	G38-E42 WeakPolarHBondContact O-CB 3.3Å; G38-E42 WeakPolarHBondContact O-CG 3.49Å; G38-E42 PolarHBondContact O-N 2.87Å; G38-S70 WeakPolarHBondContact CA-O 3.46Å; G38-E560 WeakPolarHBondContact CA-OE2 3.46Å; G38-E560 PolarHBondContact N-OE2 2.89Å
39	L	97.7	Very high	97.7	Very high	0 Å²	0	15 Å²	15	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-63.4	-48	176.7	179.9	60.7	0	0	0	112.8	E37 A41 E42 I43 T127 C151 E560 V565 M568	E37-L39 VanDerWaalsContact C-N 3.3Å; E37-L39 PolarHBondContact O-N 3.12Å; L39-A41 VanDerWaalsContact C-N 3.31Å; L39-A41 PolarHBondContact O-N 3.17Å; L39-E42 PolarHBondContact O-N 3.29Å; L39-I43 HydrophobicContact CD1-CD1 3.97Å; L39-I43 HydrophobicContact CD1-CG1 4.16Å; L39-I43 HydrophobicContact CG-CD1 3.8Å; L39-I43 HydrophobicContact CG-CG1 4.43Å; L39-I43 VanDerWaalsContact O-CG1 3.23Å; L39-I43 WeakPolarHBondContact O-CG1 3.39Å; L39-I43 PolarHBondContact O-N 3.48Å; L39-T127 HydrophobicContact CD2-CG2 4.26Å; L39-T127 HydrophobicContact CG-CG2 4.23Å; L39-C151 HydrophobicContact CD2-CB 4.2Å; L39-E560 WeakPolarHBondContact CB-OE1 3.45Å; L39-E560 PolarHBondContact N-OE2 3.5Å; L39-V565 HydrophobicContact CB-CB 4.03Å; L39-V565 HydrophobicContact CB-CG1 3.89Å; L39-V565 HydrophobicContact CD1-CB 4.37Å; L39-M568 HydrophobicContact CD1-CB 3.6Å
40	G	98.1	Very high	97.7	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	7%	0.073	C	C	.	.	H	α-helix	trans	-60.7	-42.9	-178.3	0	0	0	0	0	112.2	L33 E37 I43 L44	L33-G40 WeakPolarHBondContact CD2-O 3.33Å; E37-G40 PolarHBondContact O-N 3.47Å; G40-I43 PolarHBondContact O-N 2.9Å; G40-L44 PolarHBondContact O-N 2.88Å
41	A	98	Very high	97.7	Very high	0 Å²	0	10.6 Å²	10.6	0%	0	5%	0.054	C	C	.	.	H	α-helix	trans	-66.8	-40.7	178.2	0	0	0	0	0	112.2	E37 L39 L44 K45 N71 F73 V87	E37-A41 WeakPolarHBondContact O-CB 3.34Å; E37-A41 PolarHBondContact O-N 3.38Å; L39-A41 VanDerWaalsContact C-N 3.31Å; L39-A41 PolarHBondContact O-N 3.17Å; A41-L44 PolarHBondContact O-N 3.42Å; A41-K45 WeakPolarHBondContact O-CB 3.41Å; A41-K45 PolarHBondContact O-N 2.95Å; A41-N71 WeakPolarHBondContact CB-OD1 3.3Å; A41-F73 HydrophobicContact CB-CD2 3.53Å; A41-F73 HydrophobicContact CB-CE2 4.07Å; A41-F73 HydrophobicContact CB-CG 4.43Å; A41-V87 HydrophobicContact CB-CG1 3.87Å
42	E	98.5	Very high	97.6	Very high	7 Å²	7	10.7 Å²	10.7	3%	0.033	6%	0.055	C	C	.	.	H	α-helix	trans	-65.2	-37	175	-81.3	-67.9	126.8	0	0	113	G38 L39 K45 N46 H562 A566	G38-E42 WeakPolarHBondContact O-CB 3.3Å; G38-E42 WeakPolarHBondContact O-CG 3.49Å; G38-E42 PolarHBondContact O-N 2.87Å; L39-E42 PolarHBondContact O-N 3.29Å; E42-K45 IonicContact OE1-NZ 3.64Å; E42-K45 PolarHBondContact OE1-NZ 3.01Å; E42-K45 WeakPolarHBondContact OE2-CE 3.15Å; E42-K45 IonicContact OE2-NZ 2.7Å; E42-K45 PolarHBondContact OE2-NZ 3.37Å; E42-N46 PolarHBondContact O-N 3.08Å; E42-N46 PolarHBondContact O-ND2 3.32Å; E42-H562 IonicContact OE1-CE1 2.91Å; E42-A566 HydrophobicContact CG-CB 4.3Å
43	I	98.8	Very high	97.6	Very high	0 Å²	0	11.1 Å²	11.1	0%	0	6%	0.059	C	C	.	.	H	α-helix	trans	-62.3	-52.8	173.1	-66.1	164.1	0	0	0	109.9	L39 G40 K45 N46 L47 I125 T127 C151 V572 A573	L39-I43 HydrophobicContact CD1-CD1 3.97Å; L39-I43 HydrophobicContact CD1-CG1 4.16Å; L39-I43 HydrophobicContact CG-CD1 3.8Å; L39-I43 HydrophobicContact CG-CG1 4.43Å; L39-I43 VanDerWaalsContact O-CG1 3.23Å; L39-I43 WeakPolarHBondContact O-CG1 3.39Å; L39-I43 PolarHBondContact O-N 3.48Å; G40-I43 PolarHBondContact O-N 2.9Å; I43-K45 VanDerWaalsContact C-N 3.34Å; I43-K45 PolarHBondContact O-N 3.11Å; I43-N46 PolarHBondContact O-N 3.01Å; I43-N46 VanDerWaalsContact O-N 3.12Å; I43-L47 HydrophobicContact CG2-CD1 4.03Å; I43-L47 WeakPolarHBondContact O-CG 3.43Å; I43-L47 PolarHBondContact O-N 3.44Å; I43-I125 HydrophobicContact CD1-CG2 4.1Å; I43-I125 HydrophobicContact CG2-CD1 3.77Å; I43-I125 HydrophobicContact CG2-CG2 4.46Å; I43-T127 HydrophobicContact CD1-CG2 4.21Å; I43-C151 WeakPolarHBondContact CD1-SG 3.06Å; I43-V572 HydrophobicContact CD1-CB 4.03Å; I43-V572 HydrophobicContact CD1-CG1 3.7Å; I43-V572 HydrophobicContact CD1-CG2 4.39Å; I43-V572 HydrophobicContact CG1-CB 3.97Å; I43-V572 HydrophobicContact CG1-CG1 3.99Å; I43-V572 HydrophobicContact CG2-CG1 4.23Å; I43-A573 HydrophobicContact CG2-CB 4.43Å
44	L	98.8	Very high	97.6	Very high	0 Å²	0	12.2 Å²	12.2	0%	0	7%	0.067	C	C	.	.	H	α-helix	trans	-64.3	-37.1	-178.3	-76.3	-179.7	0	0	0	112.5	V31 L33 G40 A41 N46 L47 V48 F55 V57 L91	V31-L44 HydrophobicContact CG1-CD2 4.49Å; L33-L44 HydrophobicContact CB-CD1 3.93Å; L33-L44 HydrophobicContact CB-CD2 4.4Å; L33-L44 HydrophobicContact CB-CG 4.25Å; L33-L44 HydrophobicContact CD2-CD1 3.39Å; L33-L44 HydrophobicContact CD2-CG 3.81Å; L33-L44 HydrophobicContact CG-CD1 4.27Å; G40-L44 PolarHBondContact O-N 2.88Å; A41-L44 PolarHBondContact O-N 3.42Å; L44-N46 PolarHBondContact O-N 3.26Å; L44-L47 HydrophobicContact CD2-CD1 4.36Å; L44-L47 CarbonylContact O-C 3.57Å; L44-L47 PolarHBondContact O-N 3.15Å; L44-V48 WeakPolarHBondContact O-CB 3.41Å; L44-V48 VanDerWaalsContact O-CG2 3.23Å; L44-V48 WeakPolarHBondContact O-CG2 3.36Å; L44-V48 PolarHBondContact O-N 3.38Å; L44-F55 HydrophobicContact CD1-CD2 3.7Å; L44-F55 HydrophobicContact CD1-CE2 4.09Å; L44-F55 HydrophobicContact CD1-CG 4.38Å; L44-F55 HydrophobicContact CD2-CB 3.81Å; L44-F55 HydrophobicContact CD2-CD2 4.21Å; L44-F55 HydrophobicContact CD2-CG 4.08Å; L44-V57 HydrophobicContact CD1-CG2 3.61Å; L44-L91 HydrophobicContact CB-CD1 3.55Å; L44-L91 HydrophobicContact CB-CD2 4.24Å; L44-L91 HydrophobicContact CD1-CD1 3.68Å; L44-L91 HydrophobicContact CG-CD1 4.29Å
45	K	98.7	Very high	97.6	Very high	52 Å²	52	12.1 Å²	12.1	23%	0.226	7%	0.067	C	C	.	.	H	α-helix	trans	-49.9	-48.8	171.6	-178	-172.3	75.4	-169	0	111.3	A41 E42 I43 L47 V48 L49 F73 L91 L94	A41-K45 WeakPolarHBondContact O-CB 3.41Å; A41-K45 PolarHBondContact O-N 2.95Å; E42-K45 IonicContact OE1-NZ 3.64Å; E42-K45 PolarHBondContact OE1-NZ 3.01Å; E42-K45 WeakPolarHBondContact OE2-CE 3.15Å; E42-K45 IonicContact OE2-NZ 2.7Å; E42-K45 PolarHBondContact OE2-NZ 3.37Å; I43-K45 VanDerWaalsContact C-N 3.34Å; I43-K45 PolarHBondContact O-N 3.11Å; K45-L47 PolarHBondContact O-N 2.87Å; K45-V48 PolarHBondContact O-N 3.01Å; K45-L49 HydrophobicContact CG-CD1 3.92Å; K45-L49 HydrophobicContact CG-CG 4.5Å; K45-L49 WeakPolarHBondContact O-CB 3.38Å; K45-L49 VanDerWaalsContact O-CG 3.26Å; K45-L49 WeakPolarHBondContact O-CG 3.22Å; K45-L49 PolarHBondContact O-N 3.38Å; K45-L49 VanDerWaalsContact O-N 3.07Å; K45-F73 HydrophobicContact CB-CE2 4.03Å; K45-F73 HydrophobicContact CB-CZ 3.68Å; K45-F73 HydrophobicContact CD-CE2 4.33Å; K45-F73 HydrophobicContact CD-CZ 3.86Å; K45-F73 HydrophobicContact CG-CE2 4.47Å; K45-F73 HydrophobicContact CG-CZ 3.78Å; K45-L91 HydrophobicContact CB-CD2 4.2Å; K45-L94 HydrophobicContact CB-CD1 4.38Å; K45-L94 HydrophobicContact CG-CD1 3.84Å
46	N	98.7	Very high	97.8	Very high	49 Å²	49	12.8 Å²	12.8	26%	0.262	7%	0.071	S	C	.	.	H	α-helix	trans	-75.8	-5.3	-178.2	-70.1	-60.2	0	0	0	113.7	E42 I43 L44 P50 A573	E42-N46 PolarHBondContact O-N 3.08Å; E42-N46 PolarHBondContact O-ND2 3.32Å; I43-N46 PolarHBondContact O-N 3.01Å; I43-N46 VanDerWaalsContact O-N 3.12Å; L44-N46 PolarHBondContact O-N 3.26Å; N46-P50 WeakPolarHBondContact O-CD 3.32Å; N46-P50 WeakPolarHBondContact O-CG 3.16Å; N46-A573 HydrophobicContact CB-CB 3.33Å
47	L	98.8	Very high	98	Very high	0 Å²	0	12.8 Å²	12.8	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-102.7	-35.7	171	-63.9	175.3	0	0	0	112.5	V31 I43 L44 K45 P50 G51 V52 I125 A573 V576 I577	V31-L47 HydrophobicContact CG1-CD1 4.2Å; I43-L47 HydrophobicContact CG2-CD1 4.03Å; I43-L47 WeakPolarHBondContact O-CG 3.43Å; I43-L47 PolarHBondContact O-N 3.44Å; L44-L47 HydrophobicContact CD2-CD1 4.36Å; L44-L47 CarbonylContact O-C 3.57Å; L44-L47 PolarHBondContact O-N 3.15Å; K45-L47 PolarHBondContact O-N 2.87Å; L47-P50 VanDerWaalsContact C-CD 3.49Å; L47-P50 VanDerWaalsContact O-CD 3.31Å; L47-P50 WeakPolarHBondContact O-CD 3.25Å; L47-P50 WeakPolarHBondContact O-CG 3.46Å; L47-G51 PolarHBondContact O-N 2.74Å; L47-V52 HydrophobicContact CB-CB 4.23Å; L47-V52 HydrophobicContact CB-CG1 4.01Å; L47-V52 WeakPolarHBondContact O-CB 3.23Å; L47-V52 WeakPolarHBondContact O-CG1 3.4Å; L47-V52 PolarHBondContact O-N 2.71Å; L47-I125 HydrophobicContact CD1-CD1 3.84Å; L47-A573 HydrophobicContact CD2-CB 4.14Å; L47-A573 HydrophobicContact CG-CB 4.18Å; L47-V576 HydrophobicContact CD1-CB 4.46Å; L47-V576 HydrophobicContact CD1-CG1 3.83Å; L47-V576 HydrophobicContact CD2-CB 4.07Å; L47-V576 HydrophobicContact CD2-CG1 3.71Å; L47-V576 HydrophobicContact CG-CG1 4.44Å; L47-I577 HydrophobicContact CD2-CD1 4.38Å; L47-I577 HydrophobicContact CD2-CG1 3.82Å
48	V	98.7	Very high	98.2	Very high	0 Å²	0	11.9 Å²	11.9	0%	0	7%	0.067	C	C	.	.	H	α-helix	trans	-69.4	-45	177.5	173.7	0	0	0	0	111	L44 K45 G51 F55 L94 N95 V98	L44-V48 WeakPolarHBondContact O-CB 3.41Å; L44-V48 VanDerWaalsContact O-CG2 3.23Å; L44-V48 WeakPolarHBondContact O-CG2 3.36Å; L44-V48 PolarHBondContact O-N 3.38Å; K45-V48 PolarHBondContact O-N 3.01Å; V48-G51 PolarHBondContact O-N 3.36Å; V48-F55 HydrophobicContact CG2-CD1 3.72Å; V48-F55 HydrophobicContact CG2-CE1 3.53Å; V48-F55 HydrophobicContact CG2-CZ 4.3Å; V48-L94 HydrophobicContact CG1-CB 3.98Å; V48-N95 HydrophobicContact CG1-CB 3.68Å; V48-N95 WeakPolarHBondContact O-CB 3.46Å; V48-N95 PolarHBondContact O-ND2 3Å; V48-V98 HydrophobicContact CG1-CB 4.2Å; V48-V98 HydrophobicContact CG1-CG1 4.33Å; V48-V98 HydrophobicContact CG1-CG2 4.17Å; V48-V98 HydrophobicContact CG2-CG1 4.17Å
49	L	98.4	Very high	98.3	Very high	77 Å²	77	11.9 Å²	11.9	40%	0.403	7%	0.067	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.8	-46.2	178.4	-73.9	171	0	0	0	113.8	K45 G51 L94	K45-L49 HydrophobicContact CG-CD1 3.92Å; K45-L49 HydrophobicContact CG-CG 4.5Å; K45-L49 WeakPolarHBondContact O-CB 3.38Å; K45-L49 VanDerWaalsContact O-CG 3.26Å; K45-L49 WeakPolarHBondContact O-CG 3.22Å; K45-L49 PolarHBondContact O-N 3.38Å; K45-L49 VanDerWaalsContact O-N 3.07Å; L49-G51 PolarHBondContact O-N 3.2Å; L49-L94 HydrophobicContact CD2-CB 4.17Å; L49-L94 HydrophobicContact CG-CD1 4.41Å
50	P	97.7	Very high	98.1	Very high	10 Å²	10	13 Å²	13	7%	0.065	7%	0.073	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.7	-2.5	175.3	31.9	-37.5	0	0	0	114.3	Q14 W18 Q23 L26 N46 L47 I577	Q14-P50 PolarHBondContact NE2-O 3.3Å; W18-P50 HydrophobicContact CH2-CB 4.29Å; W18-P50 HydrophobicContact CZ2-CB 4.05Å; Q23-P50 PolarHBondContact NE2-O 3.05Å; L26-P50 HydrophobicContact CD2-CB 3.76Å; L26-P50 HydrophobicContact CD2-CG 4.08Å; L26-P50 WeakPolarHBondContact CD2-O 3.41Å; N46-P50 WeakPolarHBondContact O-CD 3.32Å; N46-P50 WeakPolarHBondContact O-CG 3.16Å; L47-P50 VanDerWaalsContact C-CD 3.49Å; L47-P50 VanDerWaalsContact O-CD 3.31Å; L47-P50 WeakPolarHBondContact O-CD 3.25Å; L47-P50 WeakPolarHBondContact O-CG 3.46Å; P50-I577 HydrophobicContact CG-CD1 4.09Å
51	G	97.3	Very high	98	Very high	4 Å²	4	13 Å²	13	4%	0.041	7%	0.073	C	C	.	.	T	Hydrogen-bonded Turn	trans	91	46.4	171.1	0	0	0	0	0	114.8	E27 L47 V48 L49	E27-G51 WeakPolarHBondContact CA-O 3.46Å; E27-G51 WeakPolarHBondContact CG-O 3.49Å; L47-G51 PolarHBondContact O-N 2.74Å; V48-G51 PolarHBondContact O-N 3.36Å; L49-G51 PolarHBondContact O-N 3.2Å
52	V	98.2	Very high	97.9	Very high	1 Å²	1	14.9 Å²	14.9	1%	0.006	8%	0.08	C	C	.	.			trans	-56.2	137.7	167.2	70	0	0	0	0	110.8	L26 A29 V31 L47 S54 V98 I580	L26-V52 HydrophobicContact CD1-CB 4.16Å; L26-V52 HydrophobicContact CD1-CG2 4.3Å; L26-V52 CarbonylContact O-C 3.27Å; L26-V52 WeakPolarHBondContact O-CA 3.38Å; A29-V52 HydrophobicContact CB-CG2 4.3Å; V31-V52 HydrophobicContact CG2-CG2 3.76Å; L47-V52 HydrophobicContact CB-CB 4.23Å; L47-V52 HydrophobicContact CB-CG1 4.01Å; L47-V52 WeakPolarHBondContact O-CB 3.23Å; L47-V52 WeakPolarHBondContact O-CG1 3.4Å; L47-V52 PolarHBondContact O-N 2.71Å; V52-S54 PolarHBondContact O-N 3.1Å; V52-V98 HydrophobicContact CG1-CG1 3.95Å; V52-V98 WeakPolarHBondContact O-CG1 3.45Å; V52-V98 VanDerWaalsContact O-CG2 3.23Å; V52-V98 WeakPolarHBondContact O-CG2 3.42Å; V52-I580 HydrophobicContact CG2-CD1 4.49Å
53	G	97.5	Very high	97.8	Very high	10 Å²	10	14.6 Å²	14.6	10%	0.103	8%	0.079	C	C	.	.	S	Bend	trans	-58.7	-49.8	-172.3	0	0	0	0	0	114.7	L26 E27 A29 N99	L26-G53 PolarHBondContact O-N 3.24Å; E27-G53 VanDerWaalsContact C-CA 3.45Å; E27-G53 WeakPolarHBondContact O-CA 3.34Å; A29-G53 WeakPolarHBondContact O-CA 3.32Å; A29-G53 PolarHBondContact O-N 2.91Å; G53-N99 PolarHBondContact O-N 3.11Å; G53-N99 PolarHBondContact O-ND2 3.26Å
54	S	98.6	Very high	97.5	Very high	22 Å²	22	16.1 Å²	16.1	15%	0.154	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.9	152.8	172.6	61.8	0	0	0	0	112.1	A29 K30 V31 V52 N99	A29-S54 PolarHBondContact O-N 3.47Å; K30-S54 WeakPolarHBondContact CA-O 3.44Å; K30-S54 WeakPolarHBondContact CG-OG 3.24Å; V31-S54 PolarHBondContact N-O 2.97Å; V52-S54 PolarHBondContact O-N 3.1Å; S54-N99 CarbonylContact C-O 3.57Å; S54-N99 WeakPolarHBondContact CA-O 3.21Å; S54-N99 VanDerWaalsContact CB-O 3.28Å; S54-N99 WeakPolarHBondContact CB-O 3.31Å
55	F	98.8	Very high	97.2	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	151.9	170.1	69.8	-88	0	0	0	111.5	V31 L44 V48 V57 T88 L91 M92 V98 N99 N101	V31-F55 CarbonylContact O-C 3.6Å; V31-F55 WeakPolarHBondContact O-CA 3.49Å; L44-F55 HydrophobicContact CD1-CD2 3.7Å; L44-F55 HydrophobicContact CD1-CE2 4.09Å; L44-F55 HydrophobicContact CD1-CG 4.38Å; L44-F55 HydrophobicContact CD2-CB 3.81Å; L44-F55 HydrophobicContact CD2-CD2 4.21Å; L44-F55 HydrophobicContact CD2-CG 4.08Å; V48-F55 HydrophobicContact CG2-CD1 3.72Å; V48-F55 HydrophobicContact CG2-CE1 3.53Å; V48-F55 HydrophobicContact CG2-CZ 4.3Å; F55-V57 HydrophobicContact CD2-CG2 3.97Å; F55-V57 HydrophobicContact CE2-CG2 4.01Å; F55-T88 HydrophobicContact CE2-CG2 3.81Å; F55-T88 HydrophobicContact CZ-CG2 4.05Å; F55-L91 HydrophobicContact CE2-CB 4.47Å; F55-L91 HydrophobicContact CE2-CD1 4.09Å; F55-L91 HydrophobicContact CZ-CB 3.81Å; F55-L91 HydrophobicContact CZ-CD1 4.21Å; F55-M92 HydrophobicContact CZ-CG 4.25Å; F55-V98 HydrophobicContact CD1-CG1 3.63Å; F55-V98 HydrophobicContact CE1-CG1 3.79Å; F55-N99 PolarHBondContact N-O 2.94Å; F55-N101 PolarHBondContact O-N 2.91Å
56	T	98.8	Very high	96.8	Very high	17 Å²	17	22.7 Å²	22.7	10%	0.104	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	122.4	172.2	-59.5	0	0	0	0	110.3	V31 C32 L33 I58 N101 L103 F121	V31-T56 PolarHBondContact O-N 3.09Å; C32-T56 WeakPolarHBondContact CA-O 3.3Å; L33-T56 PolarHBondContact N-O 3.44Å; T56-I58 HydrophobicContact CG2-CG1 4.34Å; T56-N101 CarbonylContact C-O 3.51Å; T56-N101 VanDerWaalsContact CA-O 3.27Å; T56-N101 WeakPolarHBondContact CA-O 3.3Å; T56-N101 HydrophobicContact CG2-CB 4.33Å; T56-L103 HydrophobicContact CG2-CG 4.47Å; T56-F121 HydrophobicContact CG2-CZ 4.21Å
57	V	98.7	Very high	96.5	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	125.3	176.2	-178.9	0	0	0	0	110.2	L33 A36 L44 F55 D59 A84 T88 N101 Y102 L103	L33-V57 HydrophobicContact CD2-CG2 4.46Å; A36-V57 HydrophobicContact CB-CG1 3.55Å; L44-V57 HydrophobicContact CD1-CG2 3.61Å; F55-V57 HydrophobicContact CD2-CG2 3.97Å; F55-V57 HydrophobicContact CE2-CG2 4.01Å; V57-D59 HydrophobicContact CG1-CB 4.36Å; V57-A84 HydrophobicContact CB-CB 4.43Å; V57-A84 HydrophobicContact CG1-CB 3.88Å; V57-T88 WeakPolarHBondContact CG2-OG1 3.27Å; V57-N101 PolarHBondContact N-O 2.86Å; V57-Y102 CarbonylContact O-C 3.6Å; V57-Y102 WeakPolarHBondContact O-CA 3.26Å; V57-L103 PolarHBondContact O-N 3.23Å
58	I	98	Very high	96.3	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	107.7	173.9	-49.1	-175.2	0	0	0	108.2	L33 L34 R35 T56 L103 V107 L110 F118	L33-I58 PolarHBondContact O-N 3.5Å; L34-I58 HydrophobicContact CD2-CB 3.86Å; L34-I58 HydrophobicContact CD2-CD1 3.95Å; L34-I58 HydrophobicContact CD2-CG1 4.13Å; R35-I58 PolarHBondContact N-O 2.95Å; T56-I58 HydrophobicContact CG2-CG1 4.34Å; I58-L103 WeakPolarHBondContact CA-O 3.2Å; I58-L103 HydrophobicContact CD1-CD1 4.21Å; I58-L103 HydrophobicContact CG1-CB 4.29Å; I58-L103 HydrophobicContact CG1-CD1 4.32Å; I58-L103 HydrophobicContact CG2-CB 4.4Å; I58-V107 HydrophobicContact CG2-CG2 4.17Å; I58-L110 HydrophobicContact CD1-CD2 3.67Å; I58-L110 HydrophobicContact CG2-CD2 4.12Å; I58-F118 HydrophobicContact CD1-CE1 4.31Å
59	D	96.7	Very high	95.9	Very high	1 Å²	1	26.2 Å²	26.2	1%	0.005	16%	0.156	C	C	.	.			trans	-153.8	125.2	-179.4	-165.2	-18.1	0	0	0	110.3	R35 A36 V57 S61 R83 A84 L103	R35-D59 WeakPolarHBondContact CA-OD2 3.41Å; A36-D59 PolarHBondContact N-OD2 2.67Å; V57-D59 HydrophobicContact CG1-CB 4.36Å; D59-S61 VanDerWaalsContact OD1-CB 3.3Å; D59-S61 WeakPolarHBondContact OD1-CB 3.35Å; D59-S61 PolarHBondContact OD1-N 3.31Å; D59-S61 PolarHBondContact OD1-OG 3.45Å; D59-R83 IonicContact OD1-NE 2.82Å; D59-R83 IonicContact OD1-NH2 2.79Å; D59-R83 PolarHBondContact OD1-NH2 3.27Å; D59-R83 IonicContact OD2-CZ 3.59Å; D59-R83 IonicContact OD2-NE 2.89Å; D59-R83 PolarHBondContact OD2-NE 2.78Å; D59-R83 IonicContact OD2-NH2 3.86Å; D59-R83 PolarHBondContact OD2-NH2 3.38Å; D59-R83 VanDerWaalsContact OD2-NH2 3.07Å; D59-A84 HydrophobicContact CB-CB 3.92Å; D59-L103 PolarHBondContact N-O 3.14Å; D59-L103 VanDerWaalsContact N-O 3.15Å
60	D	95.2	Very high	95.6	Very high	23 Å²	23	22.9 Å²	22.9	12%	0.123	14%	0.138	C	C	.	.			trans	-90.7	-6.9	179.4	66.2	-40.2	0	0	0	113.8	D106 T482	D60-D106 HydrophobicContact CB-CB 4.31Å; D60-T482 WeakPolarHBondContact OD2-CG2 3.41Å
61	S	95.1	Very high	95.5	Very high	1 Å²	1	22.6 Å²	22.6	1%	0.007	14%	0.136	C	C	.	.	P	Polyproline II helix	trans	-83.1	154.6	-175.5	-56	0	0	0	0	112.8	D59 R83 T482	D59-S61 VanDerWaalsContact OD1-CB 3.3Å; D59-S61 WeakPolarHBondContact OD1-CB 3.35Å; D59-S61 PolarHBondContact OD1-N 3.31Å; D59-S61 PolarHBondContact OD1-OG 3.45Å; S61-R83 WeakPolarHBondContact O-CB 3.48Å; S61-R83 PolarHBondContact O-N 3.31Å; S61-R83 PolarHBondContact OG-NH2 3.48Å; S61-T482 WeakPolarHBondContact OG-CG2 3.1Å
62	Y	95.6	Very high	95.4	Very high	38 Å²	38	30 Å²	30	15%	0.149	17%	0.168	C	C	.	.	B	Isolated β-bridge	trans	-95.1	150.8	172.1	-67.5	-88	0	0	0	111.1	T64 G80 K81 A82 T483 K486	Y62-T64 PolarHBondContact O-N 2.7Å; Y62-G80 WeakPolarHBondContact CD1-O 3.33Å; Y62-K81 CarbonylContact C-O 3.12Å; Y62-K81 VanDerWaalsContact CA-O 3.3Å; Y62-K81 WeakPolarHBondContact CA-O 3.39Å; Y62-K81 VanDerWaalsContact CD1-C 3.49Å; Y62-K81 WeakPolarHBondContact CD1-O 3.3Å; Y62-A82 HydrophobicContact CE1-CB 4.46Å; Y62-T483 PolarHBondContact N-O 2.92Å; Y62-T483 PolarHBondContact O-OG1 3.27Å; Y62-K486 HydrophobicContact CE1-CG 4.36Å; Y62-K486 HydrophobicContact CE2-CG 4.33Å; Y62-K486 WeakPolarHBondContact OH-CE 3.24Å; Y62-K486 VanDerWaalsContact OH-CG 3.28Å; Y62-K486 WeakPolarHBondContact OH-CG 3.34Å
63	V	96.2	Very high	95.4	Very high	2 Å²	2	30.6 Å²	30.6	1%	0.012	17%	0.17	C	C	.	.	P	Polyproline II helix	trans	-62.6	132.2	173.9	178.6	0	0	0	0	109.7	D67 V74 H78 G80 K81 R83 V86	V63-D67 HydrophobicContact CG1-CB 4.29Å; V63-V74 HydrophobicContact CG1-CB 4.01Å; V63-V74 HydrophobicContact CG1-CG1 4.21Å; V63-V74 HydrophobicContact CG1-CG2 4.28Å; V63-V74 HydrophobicContact CG2-CG1 3.94Å; V63-H78 WeakPolarHBondContact CB-O 3.25Å; V63-H78 HydrophobicContact CG1-CB 4.25Å; V63-H78 HydrophobicContact CG2-CB 4.37Å; V63-G80 PolarHBondContact O-N 2.88Å; V63-K81 PolarHBondContact N-O 3.4Å; V63-R83 HydrophobicContact CG2-CB 4.05Å; V63-R83 HydrophobicContact CG2-CG 4.31Å; V63-V86 HydrophobicContact CG2-CG2 4.47Å
64	T	93.3	Very high	95.4	Very high	32 Å²	32	30.6 Å²	30.6	20%	0.196	17%	0.168	C	C	.	.			trans	-124.7	170	179	64.4	0	0	0	0	111	Y62 K66 D67 T483	Y62-T64 PolarHBondContact O-N 2.7Å; T64-K66 PolarHBondContact O-N 3.07Å; T64-K66 VanDerWaalsContact O-N 3.17Å; T64-K66 PolarHBondContact OG1-N 2.86Å; T64-D67 PolarHBondContact N-OD2 2.85Å; T64-D67 WeakPolarHBondContact O-CB 3.41Å; T64-D67 PolarHBondContact O-N 3.25Å; T64-D67 PolarHBondContact OG1-OD2 2.86Å; T64-T483 HydrophobicContact CG2-CG2 4.07Å
65	D	92.3	Very high	95.3	Very high	118 Å²	118	32.8 Å²	32.8	63%	0.631	18%	0.181	S	C	*	.	H	α-helix	trans	-56.1	-31	173.8	-57.9	-85.8	0	0	0	113	D67 L68	D65-D67 VanDerWaalsContact C-N 3.29Å; D65-D67 PolarHBondContact O-N 3.46Å; D65-L68 WeakPolarHBondContact O-CB 3.26Å; D65-L68 PolarHBondContact O-N 2.92Å
66	K	90	Very high	95.2	Very high	72 Å²	72	40 Å²	40	31%	0.313	21%	0.214	S	C	.	.	H	α-helix	trans	-62.8	-37.9	176.9	-178.9	179.2	172	177.7	0	111.7	T64 L68 G69 G558 N559	T64-K66 PolarHBondContact O-N 3.07Å; T64-K66 VanDerWaalsContact O-N 3.17Å; T64-K66 PolarHBondContact OG1-N 2.86Å; K66-L68 VanDerWaalsContact C-N 3.26Å; K66-L68 PolarHBondContact O-N 2.83Å; K66-G69 PolarHBondContact O-N 3.25Å; K66-G558 PolarHBondContact NZ-O 3.32Å; K66-N559 WeakPolarHBondContact CE-OD1 3.2Å; K66-N559 PolarHBondContact NZ-OD1 3.15Å
67	D	93.6	Very high	95.1	Very high	6 Å²	6	45.4 Å²	45.4	3%	0.032	24%	0.243	C	C	.	.	H	α-helix	trans	-66.2	-30.9	-179.1	-59.7	-76.8	0	0	0	111.3	V63 T64 D65 G69 S70 N71 V74 R83	V63-D67 HydrophobicContact CG1-CB 4.29Å; T64-D67 PolarHBondContact N-OD2 2.85Å; T64-D67 WeakPolarHBondContact O-CB 3.41Å; T64-D67 PolarHBondContact O-N 3.25Å; T64-D67 PolarHBondContact OG1-OD2 2.86Å; D65-D67 VanDerWaalsContact C-N 3.29Å; D65-D67 PolarHBondContact O-N 3.46Å; D67-G69 PolarHBondContact O-N 2.94Å; D67-S70 PolarHBondContact O-N 3.41Å; D67-N71 WeakPolarHBondContact O-CA 3.25Å; D67-N71 VanDerWaalsContact O-CB 3.28Å; D67-N71 WeakPolarHBondContact O-CB 3.31Å; D67-N71 PolarHBondContact O-N 3Å; D67-V74 HydrophobicContact CB-CG2 3.92Å; D67-R83 WeakPolarHBondContact OD1-CD 3.48Å; D67-R83 IonicContact OD1-CZ 3.07Å; D67-R83 IonicContact OD1-NH1 2.83Å; D67-R83 PolarHBondContact OD1-NH1 3.15Å; D67-R83 IonicContact OD2-NH1 3.25Å
68	L	94.1	Very high	95	Very high	56 Å²	56	47.4 Å²	47.4	29%	0.293	25%	0.252	S	S	.	.	H	α-helix	trans	-60.8	-28.8	178.9	-55.4	-179.4	0	0	0	113.1	D65 K66 V74 T75 E76 I79	D65-L68 WeakPolarHBondContact O-CB 3.26Å; D65-L68 PolarHBondContact O-N 2.92Å; K66-L68 VanDerWaalsContact C-N 3.26Å; K66-L68 PolarHBondContact O-N 2.83Å; L68-V74 HydrophobicContact CD2-CG2 4.13Å; L68-T75 WeakPolarHBondContact CD2-O 3.29Å; L68-E76 HydrophobicContact CD1-CG 3.74Å; L68-I79 HydrophobicContact CD1-CD1 4.12Å; L68-I79 HydrophobicContact CD1-CG1 4.49Å
69	G	89.7	Confident	95	Very high	61 Å²	61	50.3 Å²	50.3	63%	0.629	27%	0.267	S	S	*	.	H	α-helix	trans	-83.6	-21.7	-178.9	0	0	0	0	0	114.4	K66 D67	K66-G69 PolarHBondContact O-N 3.25Å; D67-G69 PolarHBondContact O-N 2.94Å
70	S	92.1	Very high	94.9	Very high	6 Å²	6	51.7 Å²	51.7	4%	0.042	28%	0.281	C	S	.	.	H	α-helix	trans	-120.5	-19.9	-173.1	70.8	0	0	0	0	114.3	G38 D67 E560 H562	G38-S70 WeakPolarHBondContact CA-O 3.46Å; D67-S70 PolarHBondContact O-N 3.41Å; S70-E560 VanDerWaalsContact CB-O 3.27Å; S70-E560 WeakPolarHBondContact CB-O 3.32Å; S70-H562 PolarHBondContact O-ND1 3.12Å
71	N	95.7	Very high	95	Very high	4 Å²	4	55.3 Å²	55.3	2%	0.021	30%	0.296	C	S	.	.			trans	-118.3	110.4	-172.5	-171.9	-14.6	0	0	0	111	A36 A41 D67 F73 V74	A36-N71 PolarHBondContact O-ND2 3.39Å; A36-N71 VanDerWaalsContact O-ND2 3.14Å; A41-N71 WeakPolarHBondContact CB-OD1 3.3Å; D67-N71 WeakPolarHBondContact O-CA 3.25Å; D67-N71 VanDerWaalsContact O-CB 3.28Å; D67-N71 WeakPolarHBondContact O-CB 3.31Å; D67-N71 PolarHBondContact O-N 3Å; N71-F73 PolarHBondContact O-N 3.41Å; N71-F73 WeakPolarHBondContact OD1-CB 3.19Å; N71-F73 PolarHBondContact OD1-N 3.32Å; N71-V74 HydrophobicContact CB-CG2 3.94Å; N71-V74 WeakPolarHBondContact O-CG2 3.35Å; N71-V74 PolarHBondContact O-N 3.34Å
72	F	96	Very high	95.1	Very high	159 Å²	159	55.7 Å²	55.7	70%	0.697	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.6	-16.7	-179.1	-172.5	-98.3	0	0	0	113.5	V74	F72-V74 VanDerWaalsContact C-N 3.34Å
73	F	97.2	Very high	95.2	Very high	14 Å²	14	54.1 Å²	54.1	6%	0.061	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.4	9.6	-175.3	-61	-83.5	0	0	0	113.4	A41 K45 N71 V87 S90 L91 L94	A41-F73 HydrophobicContact CB-CD2 3.53Å; A41-F73 HydrophobicContact CB-CE2 4.07Å; A41-F73 HydrophobicContact CB-CG 4.43Å; K45-F73 HydrophobicContact CB-CE2 4.03Å; K45-F73 HydrophobicContact CB-CZ 3.68Å; K45-F73 HydrophobicContact CD-CE2 4.33Å; K45-F73 HydrophobicContact CD-CZ 3.86Å; K45-F73 HydrophobicContact CG-CE2 4.47Å; K45-F73 HydrophobicContact CG-CZ 3.78Å; N71-F73 PolarHBondContact O-N 3.41Å; N71-F73 WeakPolarHBondContact OD1-CB 3.19Å; N71-F73 PolarHBondContact OD1-N 3.32Å; F73-V87 HydrophobicContact CB-CG1 4.38Å; F73-V87 HydrophobicContact CB-CG2 4.44Å; F73-S90 PolarHBondContact O-OG 2.99Å; F73-L91 HydrophobicContact CD1-CD2 4.11Å; F73-L91 HydrophobicContact CD1-CG 4.23Å; F73-L91 HydrophobicContact CE1-CD2 3.64Å; F73-L91 HydrophobicContact CE1-CG 4.23Å; F73-L91 HydrophobicContact CE2-CD2 4.12Å; F73-L91 HydrophobicContact CZ-CD2 3.63Å; F73-L94 HydrophobicContact CE1-CD1 3.89Å; F73-L94 HydrophobicContact CE1-CG 4.43Å; F73-L94 HydrophobicContact CZ-CD1 4.1Å
74	V	97	Very high	95.3	Very high	11 Å²	11	54 Å²	54	7%	0.067	29%	0.292	C	S	.	.			trans	-127.3	154.5	175.2	-59.1	0	0	0	0	110.3	V63 D67 L68 N71 F72 V86 V87	V63-V74 HydrophobicContact CG1-CB 4.01Å; V63-V74 HydrophobicContact CG1-CG1 4.21Å; V63-V74 HydrophobicContact CG1-CG2 4.28Å; V63-V74 HydrophobicContact CG2-CG1 3.94Å; D67-V74 HydrophobicContact CB-CG2 3.92Å; L68-V74 HydrophobicContact CD2-CG2 4.13Å; N71-V74 HydrophobicContact CB-CG2 3.94Å; N71-V74 WeakPolarHBondContact O-CG2 3.35Å; N71-V74 PolarHBondContact O-N 3.34Å; F72-V74 VanDerWaalsContact C-N 3.34Å; V74-V86 HydrophobicContact CG1-CG1 4Å; V74-V87 HydrophobicContact CG1-CG2 4.09Å
75	T	96.7	Very high	95.5	Very high	67 Å²	67	55.4 Å²	55.4	41%	0.411	30%	0.296	S	S	.	.			trans	-135	169.8	179.7	64.1	0	0	0	0	108.7	L68 D77 H78	L68-T75 WeakPolarHBondContact CD2-O 3.29Å; T75-D77 PolarHBondContact O-N 2.87Å; T75-H78 PolarHBondContact N-ND1 2.88Å; T75-H78 WeakPolarHBondContact O-CB 3.43Å; T75-H78 PolarHBondContact O-N 3.46Å; T75-H78 PolarHBondContact OG1-CE1 3.19Å; T75-H78 PolarHBondContact OG1-ND1 3.13Å; T75-H78 VanDerWaalsContact OG1-ND1 3.13Å
76	E	96.7	Very high	95.8	Very high	151 Å²	151	49.9 Å²	49.9	71%	0.706	27%	0.267	S	S	*	.	G	3₁₀ helix	trans	-55.2	-35.2	177.7	-68.6	176.6	-171.3	0	0	112.3	L68 H78 I79	L68-E76 HydrophobicContact CD1-CG 3.74Å; E76-H78 PolarHBondContact O-N 2.68Å; E76-H78 VanDerWaalsContact O-N 3.11Å; E76-I79 VanDerWaalsContact O-CG1 3.28Å; E76-I79 WeakPolarHBondContact O-CG1 3.48Å; E76-I79 PolarHBondContact O-N 3.41Å
77	D	97.2	Very high	96.2	Very high	132 Å²	132	46.5 Å²	46.5	71%	0.706	25%	0.252	S	S	*	.	G	3₁₀ helix	trans	-65.8	-12.6	176.4	-66.3	-33.4	0	0	0	114	T75 K81	T75-D77 PolarHBondContact O-N 2.87Å; D77-K81 WeakPolarHBondContact O-CE 3.38Å; D77-K81 PolarHBondContact O-NZ 2.94Å
78	H	97.5	Very high	96.4	Very high	41 Å²	41	46.3 Å²	46.3	19%	0.19	25%	0.251	C	S	.	.	G	3₁₀ helix	trans	-94.6	-10.5	179	-62.4	139	0	0	0	113.5	V63 T75 E76 G80 K81 V86	V63-H78 WeakPolarHBondContact CB-O 3.25Å; V63-H78 HydrophobicContact CG1-CB 4.25Å; V63-H78 HydrophobicContact CG2-CB 4.37Å; T75-H78 PolarHBondContact N-ND1 2.88Å; T75-H78 WeakPolarHBondContact O-CB 3.43Å; T75-H78 PolarHBondContact O-N 3.46Å; T75-H78 PolarHBondContact OG1-CE1 3.19Å; T75-H78 PolarHBondContact OG1-ND1 3.13Å; T75-H78 VanDerWaalsContact OG1-ND1 3.13Å; E76-H78 PolarHBondContact O-N 2.68Å; E76-H78 VanDerWaalsContact O-N 3.11Å; H78-G80 PolarHBondContact O-N 2.94Å; H78-K81 VanDerWaalsContact O-CB 3.26Å; H78-K81 WeakPolarHBondContact O-CB 3.45Å; H78-K81 PolarHBondContact O-N 3.23Å; H78-V86 HydrophobicContact CB-CG1 3.89Å; H78-V86 HydrophobicContact CB-CG2 4.19Å; H78-V86 VanDerWaalsContact CG-CG1 3.46Å; H78-V86 WeakPolarHBondContact ND1-CG1 3.42Å
79	I	96.5	Very high	96.6	Very high	62 Å²	62	47.9 Å²	47.9	32%	0.318	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.9	131.2	179	-63	171.2	0	0	0	110.4	L68 E76 K81	L68-I79 HydrophobicContact CD1-CD1 4.12Å; L68-I79 HydrophobicContact CD1-CG1 4.49Å; E76-I79 VanDerWaalsContact O-CG1 3.28Å; E76-I79 WeakPolarHBondContact O-CG1 3.48Å; E76-I79 PolarHBondContact O-N 3.41Å; I79-K81 VanDerWaalsContact C-N 3.28Å; I79-K81 PolarHBondContact O-N 3.2Å
80	G	95.7	Very high	97	Very high	29 Å²	29	46.1 Å²	46.1	30%	0.299	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	78.4	1.5	-178.6	0	0	0	0	0	115.3	Y62 V63 H78	Y62-G80 WeakPolarHBondContact CD1-O 3.33Å; V63-G80 PolarHBondContact O-N 2.88Å; H78-G80 PolarHBondContact O-N 2.94Å
81	K	97.2	Very high	97.3	Very high	100 Å²	100	45.9 Å²	45.9	44%	0.435	23%	0.233	S	C	.	.	S	Bend	trans	-90.8	159.3	168.9	-60.1	-179.6	-174.8	153.4	0	111	Y62 V63 D77 H78 I79 R83 V86	Y62-K81 CarbonylContact C-O 3.12Å; Y62-K81 VanDerWaalsContact CA-O 3.3Å; Y62-K81 WeakPolarHBondContact CA-O 3.39Å; Y62-K81 VanDerWaalsContact CD1-C 3.49Å; Y62-K81 WeakPolarHBondContact CD1-O 3.3Å; V63-K81 PolarHBondContact N-O 3.4Å; D77-K81 WeakPolarHBondContact O-CE 3.38Å; D77-K81 PolarHBondContact O-NZ 2.94Å; H78-K81 VanDerWaalsContact O-CB 3.26Å; H78-K81 WeakPolarHBondContact O-CB 3.45Å; H78-K81 PolarHBondContact O-N 3.23Å; I79-K81 VanDerWaalsContact C-N 3.28Å; I79-K81 PolarHBondContact O-N 3.2Å; K81-R83 PolarHBondContact O-N 3.18Å; K81-V86 HydrophobicContact CB-CG2 3.8Å; K81-V86 HydrophobicContact CD-CG2 4.35Å
82	A	97.5	Very high	97.4	Very high	8 Å²	8	49.4 Å²	49.4	7%	0.066	25%	0.251	C	S	.	.	B	Isolated β-bridge	trans	-67	123	-179	0	0	0	0	0	110.4	Y62 A84 Q85 V86 I104	Y62-A82 HydrophobicContact CE1-CB 4.46Å; A82-A84 VanDerWaalsContact C-N 3.34Å; A82-A84 PolarHBondContact O-N 3.1Å; A82-Q85 HydrophobicContact CB-CB 4.27Å; A82-Q85 PolarHBondContact O-N 3.39Å; A82-V86 WeakPolarHBondContact O-CG2 3.24Å; A82-V86 PolarHBondContact O-N 3.44Å; A82-V86 VanDerWaalsContact O-N 3.13Å; A82-I104 HydrophobicContact CB-CD1 3.47Å; A82-I104 VanDerWaalsContact CB-CD1 3.47Å; A82-I104 HydrophobicContact CB-CG1 3.93Å; A82-I104 HydrophobicContact CB-CG2 4.19Å
83	R	97.3	Very high	97.5	Very high	5 Å²	5	49.6 Å²	49.6	2%	0.019	25%	0.254	C	S	.	.	H	α-helix	trans	-64.3	-39.1	-174	-174.3	166.1	55.6	-176.2	0.5	112.2	A36 E37 D59 S61 V63 D67 K81 Q85 V86 V87	A36-R83 WeakPolarHBondContact O-CD 3.41Å; E37-R83 IonicContact OE1-CZ 3.47Å; E37-R83 IonicContact OE1-NH1 3.65Å; E37-R83 PolarHBondContact OE1-NH1 3.32Å; E37-R83 IonicContact OE1-NH2 3.36Å; E37-R83 PolarHBondContact OE1-NH2 3.4Å; D59-R83 IonicContact OD1-NE 2.82Å; D59-R83 IonicContact OD1-NH2 2.79Å; D59-R83 PolarHBondContact OD1-NH2 3.27Å; D59-R83 IonicContact OD2-CZ 3.59Å; D59-R83 IonicContact OD2-NE 2.89Å; D59-R83 PolarHBondContact OD2-NE 2.78Å; D59-R83 IonicContact OD2-NH2 3.86Å; D59-R83 PolarHBondContact OD2-NH2 3.38Å; D59-R83 VanDerWaalsContact OD2-NH2 3.07Å; S61-R83 WeakPolarHBondContact O-CB 3.48Å; S61-R83 PolarHBondContact O-N 3.31Å; S61-R83 PolarHBondContact OG-NH2 3.48Å; V63-R83 HydrophobicContact CG2-CB 4.05Å; V63-R83 HydrophobicContact CG2-CG 4.31Å; D67-R83 WeakPolarHBondContact OD1-CD 3.48Å; D67-R83 IonicContact OD1-CZ 3.07Å; D67-R83 IonicContact OD1-NH1 2.83Å; D67-R83 PolarHBondContact OD1-NH1 3.15Å; D67-R83 IonicContact OD2-NH1 3.25Å; K81-R83 PolarHBondContact O-N 3.18Å; R83-Q85 VanDerWaalsContact C-N 3.29Å; R83-Q85 PolarHBondContact O-N 2.81Å; R83-V86 PolarHBondContact O-N 3.09Å; R83-V87 HydrophobicContact CG-CG2 4.04Å; R83-V87 WeakPolarHBondContact O-CB 3.48Å; R83-V87 WeakPolarHBondContact O-CG2 3.3Å; R83-V87 PolarHBondContact O-N 3.13Å
84	A	97.9	Very high	97.5	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-55.5	-45	176	0	0	0	0	0	112.4	V57 D59 A82 T88 I104	V57-A84 HydrophobicContact CB-CB 4.43Å; V57-A84 HydrophobicContact CG1-CB 3.88Å; D59-A84 HydrophobicContact CB-CB 3.92Å; A82-A84 VanDerWaalsContact C-N 3.34Å; A82-A84 PolarHBondContact O-N 3.1Å; A84-T88 VanDerWaalsContact O-CB 3.25Å; A84-T88 WeakPolarHBondContact O-CB 3.42Å; A84-T88 PolarHBondContact O-N 3.12Å; A84-T88 PolarHBondContact O-OG1 3.43Å; A84-I104 HydrophobicContact CB-CG1 4.5Å
85	Q	98.3	Very high	97.5	Very high	61 Å²	61	51.1 Å²	51.1	29%	0.285	26%	0.262	S	S	.	.	H	α-helix	trans	-66.1	-56.3	179.8	175.1	177.7	4.5	0	0	110.8	A82 R83 V87 T88 E89 Y102	A82-Q85 HydrophobicContact CB-CB 4.27Å; A82-Q85 PolarHBondContact O-N 3.39Å; R83-Q85 VanDerWaalsContact C-N 3.29Å; R83-Q85 PolarHBondContact O-N 2.81Å; Q85-V87 PolarHBondContact O-N 3.31Å; Q85-T88 PolarHBondContact O-N 3.22Å; Q85-E89 HydrophobicContact CG-CG 4.4Å; Q85-E89 WeakPolarHBondContact CG-OE1 3.41Å; Q85-E89 PolarHBondContact NE2-OE1 2.89Å; Q85-E89 WeakPolarHBondContact O-CG 3.45Å; Q85-E89 PolarHBondContact O-N 3.12Å; Q85-Y102 HydrophobicContact CB-CD1 4.35Å; Q85-Y102 HydrophobicContact CB-CD2 4.02Å; Q85-Y102 HydrophobicContact CB-CE1 4.07Å; Q85-Y102 HydrophobicContact CB-CE2 3.73Å; Q85-Y102 HydrophobicContact CB-CG 4.33Å; Q85-Y102 HydrophobicContact CG-CE1 3.81Å; Q85-Y102 HydrophobicContact CG-CE2 4.05Å
86	V	98.2	Very high	97.3	Very high	3 Å²	3	54.6 Å²	54.6	2%	0.018	28%	0.278	C	S	.	.	H	α-helix	trans	-58.1	-49.9	-174.6	173.3	0	0	0	0	110.9	V63 V74 H78 K81 A82 R83 T88 E89 S90	V63-V86 HydrophobicContact CG2-CG2 4.47Å; V74-V86 HydrophobicContact CG1-CG1 4Å; H78-V86 HydrophobicContact CB-CG1 3.89Å; H78-V86 HydrophobicContact CB-CG2 4.19Å; H78-V86 VanDerWaalsContact CG-CG1 3.46Å; H78-V86 WeakPolarHBondContact ND1-CG1 3.42Å; K81-V86 HydrophobicContact CB-CG2 3.8Å; K81-V86 HydrophobicContact CD-CG2 4.35Å; A82-V86 WeakPolarHBondContact O-CG2 3.24Å; A82-V86 PolarHBondContact O-N 3.44Å; A82-V86 VanDerWaalsContact O-N 3.13Å; R83-V86 PolarHBondContact O-N 3.09Å; V86-T88 VanDerWaalsContact C-N 3.31Å; V86-T88 PolarHBondContact O-N 3.23Å; V86-E89 PolarHBondContact O-N 3.33Å; V86-S90 PolarHBondContact O-N 2.91Å; V86-S90 PolarHBondContact O-OG 2.82Å
87	V	98.2	Very high	97.2	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-64.2	-38.7	-178.5	175	0	0	0	0	111	A36 A41 F73 V74 R83 Q85 L91	A36-V87 HydrophobicContact CB-CB 4.07Å; A36-V87 HydrophobicContact CB-CG1 4Å; A36-V87 HydrophobicContact CB-CG2 4.13Å; A41-V87 HydrophobicContact CB-CG1 3.87Å; F73-V87 HydrophobicContact CB-CG1 4.38Å; F73-V87 HydrophobicContact CB-CG2 4.44Å; V74-V87 HydrophobicContact CG1-CG2 4.09Å; R83-V87 HydrophobicContact CG-CG2 4.04Å; R83-V87 WeakPolarHBondContact O-CB 3.48Å; R83-V87 WeakPolarHBondContact O-CG2 3.3Å; R83-V87 PolarHBondContact O-N 3.13Å; Q85-V87 PolarHBondContact O-N 3.31Å; V87-L91 HydrophobicContact CG1-CD1 3.66Å; V87-L91 HydrophobicContact CG1-CG 4.21Å; V87-L91 VanDerWaalsContact O-CB 3.31Å; V87-L91 WeakPolarHBondContact O-CB 3.25Å; V87-L91 WeakPolarHBondContact O-CD1 3.43Å; V87-L91 WeakPolarHBondContact O-CG 3.38Å; V87-L91 PolarHBondContact O-N 3.46Å
88	T	98.6	Very high	97.3	Very high	2 Å²	2	45.2 Å²	45.2	1%	0.012	23%	0.23	C	C	.	.	H	α-helix	trans	-64.2	-47.7	177.3	-61.4	0	0	0	0	111.6	F55 V57 A84 Q85 V86 S90 L91 M92 Y102	F55-T88 HydrophobicContact CE2-CG2 3.81Å; F55-T88 HydrophobicContact CZ-CG2 4.05Å; V57-T88 WeakPolarHBondContact CG2-OG1 3.27Å; A84-T88 VanDerWaalsContact O-CB 3.25Å; A84-T88 WeakPolarHBondContact O-CB 3.42Å; A84-T88 PolarHBondContact O-N 3.12Å; A84-T88 PolarHBondContact O-OG1 3.43Å; Q85-T88 PolarHBondContact O-N 3.22Å; V86-T88 VanDerWaalsContact C-N 3.31Å; V86-T88 PolarHBondContact O-N 3.23Å; T88-S90 PolarHBondContact O-N 2.87Å; T88-L91 PolarHBondContact O-N 3.03Å; T88-M92 HydrophobicContact CG2-SD 4.19Å; T88-M92 VanDerWaalsContact O-CG 3.31Å; T88-M92 WeakPolarHBondContact O-CG 3.49Å; T88-M92 PolarHBondContact O-N 3.27Å; T88-Y102 HydrophobicContact CG2-CD1 4.01Å
89	E	98	Very high	97.3	Very high	89 Å²	89	48.1 Å²	48.1	42%	0.416	25%	0.247	S	C	.	.	H	α-helix	trans	-59.1	-47.3	179	-72	172.3	-178.1	0	0	110.9	Q85 V86 L91 M92	Q85-E89 HydrophobicContact CG-CG 4.4Å; Q85-E89 WeakPolarHBondContact CG-OE1 3.41Å; Q85-E89 PolarHBondContact NE2-OE1 2.89Å; Q85-E89 WeakPolarHBondContact O-CG 3.45Å; Q85-E89 PolarHBondContact O-N 3.12Å; V86-E89 PolarHBondContact O-N 3.33Å; E89-L91 PolarHBondContact O-N 2.9Å; E89-M92 PolarHBondContact O-N 2.87Å
90	S	97.9	Very high	97.4	Very high	25 Å²	25	45.6 Å²	45.6	18%	0.175	24%	0.237	C	C	.	.	H	α-helix	trans	-67.1	-35.3	178.1	-61.6	0	0	0	0	113.6	F73 V86 T88 E93	F73-S90 PolarHBondContact O-OG 2.99Å; V86-S90 PolarHBondContact O-N 2.91Å; V86-S90 PolarHBondContact O-OG 2.82Å; T88-S90 PolarHBondContact O-N 2.87Å; S90-E93 WeakPolarHBondContact O-CB 3.38Å; S90-E93 PolarHBondContact O-N 3.2Å
91	L	98.2	Very high	97.5	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-67.1	-36.5	175.3	-78.5	167.9	0	0	0	112	L44 K45 F55 F73 V87 T88 E89 E93 L94	L44-L91 HydrophobicContact CB-CD1 3.55Å; L44-L91 HydrophobicContact CB-CD2 4.24Å; L44-L91 HydrophobicContact CD1-CD1 3.68Å; L44-L91 HydrophobicContact CG-CD1 4.29Å; K45-L91 HydrophobicContact CB-CD2 4.2Å; F55-L91 HydrophobicContact CE2-CB 4.47Å; F55-L91 HydrophobicContact CE2-CD1 4.09Å; F55-L91 HydrophobicContact CZ-CB 3.81Å; F55-L91 HydrophobicContact CZ-CD1 4.21Å; F73-L91 HydrophobicContact CD1-CD2 4.11Å; F73-L91 HydrophobicContact CD1-CG 4.23Å; F73-L91 HydrophobicContact CE1-CD2 3.64Å; F73-L91 HydrophobicContact CE1-CG 4.23Å; F73-L91 HydrophobicContact CE2-CD2 4.12Å; F73-L91 HydrophobicContact CZ-CD2 3.63Å; V87-L91 HydrophobicContact CG1-CD1 3.66Å; V87-L91 HydrophobicContact CG1-CG 4.21Å; V87-L91 VanDerWaalsContact O-CB 3.31Å; V87-L91 WeakPolarHBondContact O-CB 3.25Å; V87-L91 WeakPolarHBondContact O-CD1 3.43Å; V87-L91 WeakPolarHBondContact O-CG 3.38Å; V87-L91 PolarHBondContact O-N 3.46Å; T88-L91 PolarHBondContact O-N 3.03Å; E89-L91 PolarHBondContact O-N 2.9Å; L91-E93 PolarHBondContact O-N 3.13Å; L91-L94 HydrophobicContact CD2-CD1 3.94Å; L91-L94 VanDerWaalsContact O-CB 3.29Å; L91-L94 WeakPolarHBondContact O-CB 3.43Å; L91-L94 WeakPolarHBondContact O-CG 3.45Å; L91-L94 PolarHBondContact O-N 3.4Å
92	M	97.9	Very high	97.6	Very high	79 Å²	79	47.9 Å²	47.9	39%	0.389	24%	0.241	S	C	.	.	H	α-helix	trans	-64.1	-22.4	178.4	-73.5	-179.8	69.4	0	0	113	F55 T88 E89 L94 N95	F55-M92 HydrophobicContact CZ-CG 4.25Å; T88-M92 HydrophobicContact CG2-SD 4.19Å; T88-M92 VanDerWaalsContact O-CG 3.31Å; T88-M92 WeakPolarHBondContact O-CG 3.49Å; T88-M92 PolarHBondContact O-N 3.27Å; E89-M92 PolarHBondContact O-N 2.87Å; M92-L94 PolarHBondContact O-N 3.04Å; M92-N95 CarbonylContact O-C 3Å; M92-N95 PolarHBondContact O-N 3.33Å
93	E	97.6	Very high	97.6	Very high	163 Å²	163	49.9 Å²	49.9	76%	0.762	25%	0.25	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.5	-24.1	172.6	-61.8	-179.3	-147.4	0	0	113	S90 L91	S90-E93 WeakPolarHBondContact O-CB 3.38Å; S90-E93 PolarHBondContact O-N 3.2Å; L91-E93 PolarHBondContact O-N 3.13Å
94	L	97.7	Very high	97.6	Very high	55 Å²	55	53.2 Å²	53.2	29%	0.288	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.1	-32.7	-178.8	-59	-179.3	0	0	0	112.5	R10 K45 V48 L49 F73 L91 M92	R10-L94 PolarHBondContact NH2-O 3.1Å; K45-L94 HydrophobicContact CB-CD1 4.38Å; K45-L94 HydrophobicContact CG-CD1 3.84Å; V48-L94 HydrophobicContact CG1-CB 3.98Å; L49-L94 HydrophobicContact CD2-CB 4.17Å; L49-L94 HydrophobicContact CG-CD1 4.41Å; F73-L94 HydrophobicContact CE1-CD1 3.89Å; F73-L94 HydrophobicContact CE1-CG 4.43Å; F73-L94 HydrophobicContact CZ-CD1 4.1Å; L91-L94 HydrophobicContact CD2-CD1 3.94Å; L91-L94 VanDerWaalsContact O-CB 3.29Å; L91-L94 WeakPolarHBondContact O-CB 3.43Å; L91-L94 WeakPolarHBondContact O-CG 3.45Å; L91-L94 PolarHBondContact O-N 3.4Å; M92-L94 PolarHBondContact O-N 3.04Å
95	N	96.7	Very high	97.4	Very high	1 Å²	1	56.9 Å²	56.9	1%	0.005	29%	0.285	C	S	.	.			trans	-154.8	107.1	-176.9	-164.1	-13	0	0	0	111.9	R10 Y11 V48 M92 E97 V98	R10-N95 VanDerWaalsContact CZ-CG 3.41Å; R10-N95 PolarHBondContact NH1-OD1 3.4Å; R10-N95 PolarHBondContact NH2-OD1 3.25Å; Y11-N95 PolarHBondContact OH-ND2 2.94Å; V48-N95 HydrophobicContact CG1-CB 3.68Å; V48-N95 WeakPolarHBondContact O-CB 3.46Å; V48-N95 PolarHBondContact O-ND2 3Å; M92-N95 CarbonylContact O-C 3Å; M92-N95 PolarHBondContact O-N 3.33Å; N95-E97 PolarHBondContact O-N 3.38Å; N95-E97 WeakPolarHBondContact OD1-CB 3.5Å; N95-E97 PolarHBondContact OD1-N 3.01Å; N95-E97 VanDerWaalsContact OD1-N 3.13Å; N95-V98 HydrophobicContact CB-CB 4.35Å; N95-V98 HydrophobicContact CB-CG2 3.79Å; N95-V98 PolarHBondContact O-N 2.96Å; N95-V98 VanDerWaalsContact O-N 3.14Å
96	D	93.6	Very high	97.2	Very high	141 Å²	141	54.7 Å²	54.7	75%	0.754	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.8	-15	178.5	58.6	-28.5	0	0	0	114.3	R10 V98	R10-D96 IonicContact NH1-OD1 3.02Å; R10-D96 PolarHBondContact NH1-OD1 2.79Å; D96-V98 VanDerWaalsContact C-N 3.33Å
97	E	94.2	Very high	97	Very high	82 Å²	82	54.8 Å²	54.8	38%	0.383	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.7	-12.9	173.3	-60.1	-174.4	148.7	0	0	113.1	K7 Y11 N95	K7-E97 WeakPolarHBondContact CE-OE2 3.49Å; Y11-E97 WeakPolarHBondContact CE2-OE2 3.3Å; Y11-E97 PolarHBondContact OH-OE2 3.17Å; N95-E97 PolarHBondContact O-N 3.38Å; N95-E97 WeakPolarHBondContact OD1-CB 3.5Å; N95-E97 PolarHBondContact OD1-N 3.01Å; N95-E97 VanDerWaalsContact OD1-N 3.13Å
98	V	97.8	Very high	96.7	Very high	4 Å²	4	60.6 Å²	60.6	2%	0.024	30%	0.298	C	S	.	.	S	Bend	trans	-97.4	129.1	-174.9	177.6	0	0	0	0	110.8	V48 V52 F55 N95 D96 G100	V48-V98 HydrophobicContact CG1-CB 4.2Å; V48-V98 HydrophobicContact CG1-CG1 4.33Å; V48-V98 HydrophobicContact CG1-CG2 4.17Å; V48-V98 HydrophobicContact CG2-CG1 4.17Å; V52-V98 HydrophobicContact CG1-CG1 3.95Å; V52-V98 WeakPolarHBondContact O-CG1 3.45Å; V52-V98 VanDerWaalsContact O-CG2 3.23Å; V52-V98 WeakPolarHBondContact O-CG2 3.42Å; F55-V98 HydrophobicContact CD1-CG1 3.63Å; F55-V98 HydrophobicContact CE1-CG1 3.79Å; N95-V98 HydrophobicContact CB-CB 4.35Å; N95-V98 HydrophobicContact CB-CG2 3.79Å; N95-V98 PolarHBondContact O-N 2.96Å; N95-V98 VanDerWaalsContact O-N 3.14Å; D96-V98 VanDerWaalsContact C-N 3.33Å; V98-G100 PolarHBondContact O-N 3.11Å
99	N	98.2	Very high	96.4	Very high	101 Å²	101	63.8 Å²	63.8	54%	0.54	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	107.3	178.5	-58.7	-71.4	0	0	0	111	G53 S54 F55	G53-N99 PolarHBondContact O-N 3.11Å; G53-N99 PolarHBondContact O-ND2 3.26Å; S54-N99 CarbonylContact C-O 3.57Å; S54-N99 WeakPolarHBondContact CA-O 3.21Å; S54-N99 VanDerWaalsContact CB-O 3.28Å; S54-N99 WeakPolarHBondContact CB-O 3.31Å; F55-N99 PolarHBondContact N-O 2.94Å
100	G	98.4	Very high	96.2	Very high	10 Å²	10	59.8 Å²	59.8	10%	0.103	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	135.5	172.3	0	0	0	0	0	112.3	V98	V98-G100 PolarHBondContact O-N 3.11Å
101	N	98.4	Very high	96.1	Very high	91 Å²	91	59.3 Å²	59.3	49%	0.487	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	163.9	169.9	-66.3	-74.6	0	0	0	110.2	F55 T56 V57	F55-N101 PolarHBondContact O-N 2.91Å; T56-N101 CarbonylContact C-O 3.51Å; T56-N101 VanDerWaalsContact CA-O 3.27Å; T56-N101 WeakPolarHBondContact CA-O 3.3Å; T56-N101 HydrophobicContact CG2-CB 4.33Å; V57-N101 PolarHBondContact N-O 2.86Å
102	Y	98.4	Very high	95.9	Very high	86 Å²	86	66.7 Å²	66.7	34%	0.337	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	155.3	175.5	61.1	-94.9	0	0	0	112.8	V57 Q85 T88 I104	V57-Y102 CarbonylContact O-C 3.6Å; V57-Y102 WeakPolarHBondContact O-CA 3.26Å; Q85-Y102 HydrophobicContact CB-CD1 4.35Å; Q85-Y102 HydrophobicContact CB-CD2 4.02Å; Q85-Y102 HydrophobicContact CB-CE1 4.07Å; Q85-Y102 HydrophobicContact CB-CE2 3.73Å; Q85-Y102 HydrophobicContact CB-CG 4.33Å; Q85-Y102 HydrophobicContact CG-CE1 3.81Å; Q85-Y102 HydrophobicContact CG-CE2 4.05Å; T88-Y102 HydrophobicContact CG2-CD1 4.01Å; Y102-I104 HydrophobicContact CD2-CD1 4.43Å; Y102-I104 HydrophobicContact CD2-CG1 4.11Å; Y102-I104 HydrophobicContact CE2-CD1 4.19Å; Y102-I104 HydrophobicContact CE2-CG1 4.36Å
103	L	97.7	Very high	95.7	Very high	50 Å²	50	69.6 Å²	69.6	26%	0.262	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	127.5	171.3	-63.5	174.4	0	0	0	109.2	T56 V57 I58 D59 E105 I117	T56-L103 HydrophobicContact CG2-CG 4.47Å; V57-L103 PolarHBondContact O-N 3.23Å; I58-L103 WeakPolarHBondContact CA-O 3.2Å; I58-L103 HydrophobicContact CD1-CD1 4.21Å; I58-L103 HydrophobicContact CG1-CB 4.29Å; I58-L103 HydrophobicContact CG1-CD1 4.32Å; I58-L103 HydrophobicContact CG2-CB 4.4Å; D59-L103 PolarHBondContact N-O 3.14Å; D59-L103 VanDerWaalsContact N-O 3.15Å; L103-E105 VanDerWaalsContact C-N 3.34Å; L103-E105 PolarHBondContact O-N 3.35Å; L103-I117 HydrophobicContact CD1-CD1 3.34Å
104	I	96.8	Very high	95.6	Very high	75 Å²	75	65.4 Å²	65.4	39%	0.385	32%	0.319	S	S	.	.			trans	-95.5	70.7	178.5	-50.1	166.6	0	0	0	107.6	A82 A84 Y102	A82-I104 HydrophobicContact CB-CD1 3.47Å; A82-I104 VanDerWaalsContact CB-CD1 3.47Å; A82-I104 HydrophobicContact CB-CG1 3.93Å; A82-I104 HydrophobicContact CB-CG2 4.19Å; A84-I104 HydrophobicContact CB-CG1 4.5Å; Y102-I104 HydrophobicContact CD2-CD1 4.43Å; Y102-I104 HydrophobicContact CD2-CG1 4.11Å; Y102-I104 HydrophobicContact CE2-CD1 4.19Å; Y102-I104 HydrophobicContact CE2-CG1 4.36Å
105	E	94.9	Very high	95.4	Very high	76 Å²	76	64.5 Å²	64.5	36%	0.355	32%	0.317	S	S	.	.	S	Bend	trans	-138.6	145.4	-176.6	-68.2	-163.5	-148.4	0	0	111.6	L103	L103-E105 VanDerWaalsContact C-N 3.34Å; L103-E105 PolarHBondContact O-N 3.35Å
106	D	92.9	Very high	95.3	Very high	15 Å²	15	70.4 Å²	70.4	8%	0.08	34%	0.344	C	S	.	.			trans	-72.1	131	172.2	178.3	-77.1	0	0	0	108.8	D60 R108 D109 L110	D60-D106 HydrophobicContact CB-CB 4.31Å; D106-R108 PolarHBondContact O-N 3.38Å; D106-R108 VanDerWaalsContact OD1-CA 3.3Å; D106-R108 WeakPolarHBondContact OD1-CA 3.41Å; D106-R108 WeakPolarHBondContact OD1-CB 3.31Å; D106-R108 WeakPolarHBondContact OD1-CG 3.47Å; D106-R108 IonicContact OD1-CZ 2.98Å; D106-R108 PolarHBondContact OD1-N 2.83Å; D106-R108 IonicContact OD1-NE 3.33Å; D106-R108 PolarHBondContact OD1-NE 3.42Å; D106-R108 IonicContact OD1-NH2 3.12Å; D106-R108 IonicContact OD2-CZ 2.64Å; D106-R108 IonicContact OD2-NE 3.56Å; D106-R108 PolarHBondContact OD2-NE 2.7Å; D106-R108 VanDerWaalsContact OD2-NE 3.12Å; D106-R108 IonicContact OD2-NH2 3.87Å; D106-R108 PolarHBondContact OD2-NH2 3.33Å; D106-D109 HydrophobicContact CB-CB 4.22Å; D106-D109 WeakPolarHBondContact O-CB 3.4Å; D106-D109 PolarHBondContact O-N 2.91Å; D106-D109 VanDerWaalsContact O-N 3.17Å; D106-D109 PolarHBondContact OD1-N 2.96Å; D106-L110 PolarHBondContact O-N 3.26Å
107	V	94.2	Very high	95.4	Very high	5 Å²	5	65.4 Å²	65.4	3%	0.03	32%	0.317	C	S	.	.	H	α-helix	trans	-61.6	-32.3	-176.2	-176.6	0	0	0	0	112.2	L34 I58 L110 L111 F118 L133	L34-V107 HydrophobicContact CB-CG2 4.25Å; L34-V107 HydrophobicContact CD1-CG1 3.8Å; L34-V107 HydrophobicContact CD1-CG2 4.32Å; L34-V107 HydrophobicContact CD2-CG2 4.24Å; I58-V107 HydrophobicContact CG2-CG2 4.17Å; V107-L110 PolarHBondContact O-N 2.81Å; V107-L111 HydrophobicContact CG1-CD1 4.23Å; V107-L111 HydrophobicContact CG1-CG 4.47Å; V107-L111 WeakPolarHBondContact O-CB 3.04Å; V107-L111 VanDerWaalsContact O-CG 3.26Å; V107-L111 WeakPolarHBondContact O-CG 3.48Å; V107-L111 PolarHBondContact O-N 3.39Å; V107-F118 HydrophobicContact CG1-CZ 4.15Å; V107-L133 HydrophobicContact CB-CD1 4.28Å; V107-L133 HydrophobicContact CB-CD2 4.36Å; V107-L133 HydrophobicContact CG1-CD1 3.73Å; V107-L133 HydrophobicContact CG1-CD2 4.32Å
108	R	92.4	Very high	95.5	Very high	122 Å²	122	61.5 Å²	61.5	46%	0.46	30%	0.299	S	S	.	.	H	α-helix	trans	-67.9	-45.3	177.9	-53.3	166	-74.8	-177.3	-6	109.9	D106 L110 L111 E112 L133	D106-R108 PolarHBondContact O-N 3.38Å; D106-R108 VanDerWaalsContact OD1-CA 3.3Å; D106-R108 WeakPolarHBondContact OD1-CA 3.41Å; D106-R108 WeakPolarHBondContact OD1-CB 3.31Å; D106-R108 WeakPolarHBondContact OD1-CG 3.47Å; D106-R108 IonicContact OD1-CZ 2.98Å; D106-R108 PolarHBondContact OD1-N 2.83Å; D106-R108 IonicContact OD1-NE 3.33Å; D106-R108 PolarHBondContact OD1-NE 3.42Å; D106-R108 IonicContact OD1-NH2 3.12Å; D106-R108 IonicContact OD2-CZ 2.64Å; D106-R108 IonicContact OD2-NE 3.56Å; D106-R108 PolarHBondContact OD2-NE 2.7Å; D106-R108 VanDerWaalsContact OD2-NE 3.12Å; D106-R108 IonicContact OD2-NH2 3.87Å; D106-R108 PolarHBondContact OD2-NH2 3.33Å; R108-L110 VanDerWaalsContact C-N 3.3Å; R108-L110 PolarHBondContact O-N 3.38Å; R108-L111 PolarHBondContact O-N 2.88Å; R108-E112 PolarHBondContact O-N 2.97Å; R108-L133 HydrophobicContact CG-CD1 4.28Å
109	D	93	Very high	95.4	Very high	69 Å²	69	64.9 Å²	64.9	37%	0.369	31%	0.313	S	S	.	.	H	α-helix	trans	-58.9	-43.1	173.8	-87.8	30.2	0	0	0	111.3	D106 E112 K113	D106-D109 HydrophobicContact CB-CB 4.22Å; D106-D109 WeakPolarHBondContact O-CB 3.4Å; D106-D109 PolarHBondContact O-N 2.91Å; D106-D109 VanDerWaalsContact O-N 3.17Å; D106-D109 PolarHBondContact OD1-N 2.96Å; D109-E112 PolarHBondContact O-N 2.78Å; D109-K113 WeakPolarHBondContact O-CB 3.47Å; D109-K113 VanDerWaalsContact O-CG 3.31Å; D109-K113 WeakPolarHBondContact O-CG 3.43Å; D109-K113 PolarHBondContact O-N 3.18Å; D109-K113 IonicContact OD2-NZ 3.56Å; D109-K113 PolarHBondContact OD2-NZ 3.25Å
110	L	94	Very high	95.2	Very high	5 Å²	5	62.9 Å²	62.9	3%	0.026	31%	0.308	C	S	.	.	H	α-helix	trans	-65.6	-41	179.4	-171.7	63.7	0	0	0	111.9	I58 D106 V107 R108 E112 K113 D114 I117 F118	I58-L110 HydrophobicContact CD1-CD2 3.67Å; I58-L110 HydrophobicContact CG2-CD2 4.12Å; D106-L110 PolarHBondContact O-N 3.26Å; V107-L110 PolarHBondContact O-N 2.81Å; R108-L110 VanDerWaalsContact C-N 3.3Å; R108-L110 PolarHBondContact O-N 3.38Å; L110-E112 PolarHBondContact O-N 3.04Å; L110-K113 PolarHBondContact O-N 2.89Å; L110-D114 HydrophobicContact CD1-CB 4.39Å; L110-D114 CarbonylContact O-C 3.58Å; L110-D114 WeakPolarHBondContact O-CA 3.41Å; L110-D114 PolarHBondContact O-N 2.76Å; L110-I117 HydrophobicContact CD1-CG2 4.26Å; L110-I117 HydrophobicContact CD2-CG2 3.87Å; L110-I117 HydrophobicContact CG-CG2 4.03Å; L110-F118 HydrophobicContact CD2-CE2 4.31Å; L110-F118 HydrophobicContact CD2-CZ 3.95Å; L110-F118 HydrophobicContact CG-CE2 4.42Å; L110-F118 HydrophobicContact CG-CZ 4.49Å
111	L	94.4	Very high	95.2	Very high	15 Å²	15	63 Å²	63	8%	0.079	31%	0.305	C	S	.	.	H	α-helix	trans	-62.7	-25	174.7	-77	168.5	0	0	0	113.5	V107 R108 F118 L133 R136 L137 L140	V107-L111 HydrophobicContact CG1-CD1 4.23Å; V107-L111 HydrophobicContact CG1-CG 4.47Å; V107-L111 WeakPolarHBondContact O-CB 3.04Å; V107-L111 VanDerWaalsContact O-CG 3.26Å; V107-L111 WeakPolarHBondContact O-CG 3.48Å; V107-L111 PolarHBondContact O-N 3.39Å; R108-L111 PolarHBondContact O-N 2.88Å; L111-F118 HydrophobicContact CD2-CD2 4.02Å; L111-F118 HydrophobicContact CD2-CE2 3.54Å; L111-F118 HydrophobicContact CD2-CZ 4.34Å; L111-F118 HydrophobicContact CG-CE2 4Å; L111-L133 HydrophobicContact CD1-CD1 3.35Å; L111-R136 HydrophobicContact CD1-CB 4.39Å; L111-R136 HydrophobicContact CD1-CG 4.07Å; L111-L137 HydrophobicContact CD1-CD2 4.25Å; L111-L137 HydrophobicContact CD1-CG 4.13Å; L111-L137 HydrophobicContact CD2-CD2 3.86Å; L111-L137 HydrophobicContact CD2-CG 4.48Å; L111-L137 HydrophobicContact CG-CD2 4.47Å; L111-L140 HydrophobicContact CD2-CD2 3.59Å
112	E	94.1	Very high	95	Very high	156 Å²	156	62.5 Å²	62.5	73%	0.729	30%	0.302	S	S	*	.	H	α-helix	trans	-85.9	-42.4	175.4	-69.8	-178.8	-177	0	0	112.3	R108 D109 L110	R108-E112 PolarHBondContact O-N 2.97Å; D109-E112 PolarHBondContact O-N 2.78Å; L110-E112 PolarHBondContact O-N 3.04Å
113	K	95	Very high	95	Very high	140 Å²	140	58.6 Å²	58.6	61%	0.609	29%	0.287	S	S	*	.	H	α-helix	trans	-85	-45.4	-172.8	-65.8	169.4	-164.9	161.7	0	113.1	D109 L110	D109-K113 WeakPolarHBondContact O-CB 3.47Å; D109-K113 VanDerWaalsContact O-CG 3.31Å; D109-K113 WeakPolarHBondContact O-CG 3.43Å; D109-K113 PolarHBondContact O-N 3.18Å; D109-K113 IonicContact OD2-NZ 3.56Å; D109-K113 PolarHBondContact OD2-NZ 3.25Å; L110-K113 PolarHBondContact O-N 2.89Å
114	D	95.1	Very high	95	Very high	74 Å²	74	56.2 Å²	56.2	40%	0.396	28%	0.275	S	S	.	.			trans	-147.5	74.6	-177.8	-173.8	14	0	0	0	112.1	L110 Q116 I117	L110-D114 HydrophobicContact CD1-CB 4.39Å; L110-D114 CarbonylContact O-C 3.58Å; L110-D114 WeakPolarHBondContact O-CA 3.41Å; L110-D114 PolarHBondContact O-N 2.76Å; D114-Q116 PolarHBondContact O-N 3.3Å; D114-Q116 VanDerWaalsContact O-N 3.15Å; D114-Q116 WeakPolarHBondContact OD1-CB 3.42Å; D114-Q116 PolarHBondContact OD1-N 3.23Å; D114-I117 VanDerWaalsContact O-CG2 3.29Å; D114-I117 WeakPolarHBondContact O-CG2 3.45Å
115	P	93.8	Very high	95.1	Very high	37 Å²	37	52.6 Å²	52.6	24%	0.24	26%	0.257	C	S	.	.	G	3₁₀ helix	trans	-65.6	-13.9	175.2	27.5	-35.2	0	0	0	113	I117 L140	P115-I117 VanDerWaalsContact C-N 3.25Å; P115-I117 PolarHBondContact O-N 3.32Å; P115-L140 HydrophobicContact CB-CD1 3.96Å; P115-L140 HydrophobicContact CB-CD2 3.95Å
116	Q	93.9	Very high	95.2	Very high	125 Å²	125	49 Å²	49	58%	0.584	24%	0.24	S	C	*	.	G	3₁₀ helix	trans	-71.9	-23	-173.9	-64.4	-67.5	-41	0	0	112.8	D114 F118 F119	D114-Q116 PolarHBondContact O-N 3.3Å; D114-Q116 VanDerWaalsContact O-N 3.15Å; D114-Q116 WeakPolarHBondContact OD1-CB 3.42Å; D114-Q116 PolarHBondContact OD1-N 3.23Å; Q116-F118 PolarHBondContact O-N 3.05Å; Q116-F119 HydrophobicContact CB-CD2 4.36Å; Q116-F119 WeakPolarHBondContact O-CB 3.49Å; Q116-F119 WeakPolarHBondContact O-CD2 3.46Å; Q116-F119 PolarHBondContact O-N 3.15Å; Q116-F119 VanDerWaalsContact OE1-CD2 3.28Å
117	I	95.1	Very high	95.4	Very high	36 Å²	36	48.4 Å²	48.4	19%	0.185	24%	0.236	C	C	.	.	G	3₁₀ helix	trans	-54.8	-36.4	179.2	-165.4	171	0	0	0	112.8	L103 L110 D114 P115 F119 S120 F121	L103-I117 HydrophobicContact CD1-CD1 3.34Å; L110-I117 HydrophobicContact CD1-CG2 4.26Å; L110-I117 HydrophobicContact CD2-CG2 3.87Å; L110-I117 HydrophobicContact CG-CG2 4.03Å; D114-I117 VanDerWaalsContact O-CG2 3.29Å; D114-I117 WeakPolarHBondContact O-CG2 3.45Å; P115-I117 VanDerWaalsContact C-N 3.25Å; P115-I117 PolarHBondContact O-N 3.32Å; I117-F119 PolarHBondContact O-N 3.24Å; I117-S120 WeakPolarHBondContact O-CB 3.38Å; I117-S120 PolarHBondContact O-N 2.8Å; I117-S120 VanDerWaalsContact O-N 3.16Å; I117-S120 PolarHBondContact O-OG 2.94Å; I117-F121 HydrophobicContact CG1-CE2 4.34Å; I117-F121 WeakPolarHBondContact O-CD2 3.3Å; I117-F121 WeakPolarHBondContact O-CE2 3.45Å
118	F	95.9	Very high	95.4	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	24%	0.235	C	C	.	.	G	3₁₀ helix	trans	-65.6	-23.5	-179	-63.7	-71.9	0	0	0	112.6	L34 I58 V107 L110 L111 Q116 S120 F121 V124 L137 L140 L141 I146	L34-F118 HydrophobicContact CD1-CE1 4.3Å; L34-F118 HydrophobicContact CD2-CE1 3.97Å; I58-F118 HydrophobicContact CD1-CE1 4.31Å; V107-F118 HydrophobicContact CG1-CZ 4.15Å; L110-F118 HydrophobicContact CD2-CE2 4.31Å; L110-F118 HydrophobicContact CD2-CZ 3.95Å; L110-F118 HydrophobicContact CG-CE2 4.42Å; L110-F118 HydrophobicContact CG-CZ 4.49Å; L111-F118 HydrophobicContact CD2-CD2 4.02Å; L111-F118 HydrophobicContact CD2-CE2 3.54Å; L111-F118 HydrophobicContact CD2-CZ 4.34Å; L111-F118 HydrophobicContact CG-CE2 4Å; Q116-F118 PolarHBondContact O-N 3.05Å; F118-S120 PolarHBondContact O-N 2.67Å; F118-F121 PolarHBondContact O-N 3.18Å; F118-V124 HydrophobicContact CD1-CG1 4.38Å; F118-V124 HydrophobicContact CD1-CG2 4.28Å; F118-L137 HydrophobicContact CD1-CD2 4.37Å; F118-L137 HydrophobicContact CE1-CD2 4.13Å; F118-L137 HydrophobicContact CE2-CD2 4.28Å; F118-L137 HydrophobicContact CZ-CD2 4.09Å; F118-L140 HydrophobicContact CB-CD2 4.33Å; F118-L140 HydrophobicContact CD2-CD2 3.72Å; F118-L140 HydrophobicContact CG-CD2 4.34Å; F118-L141 HydrophobicContact CB-CD2 4.1Å; F118-I146 WeakPolarHBondContact O-CD1 3.43Å
119	F	96.1	Very high	95.3	Very high	74 Å²	74	42.4 Å²	42.4	33%	0.325	21%	0.213	S	C	.	.	G	3₁₀ helix	trans	-75.6	-3.9	178.3	-56.6	-61.9	0	0	0	114.5	Q116 I117 L140 L141 T144 I146	Q116-F119 HydrophobicContact CB-CD2 4.36Å; Q116-F119 WeakPolarHBondContact O-CB 3.49Å; Q116-F119 WeakPolarHBondContact O-CD2 3.46Å; Q116-F119 PolarHBondContact O-N 3.15Å; Q116-F119 VanDerWaalsContact OE1-CD2 3.28Å; I117-F119 PolarHBondContact O-N 3.24Å; F119-L140 HydrophobicContact CE1-CG 4.49Å; F119-L140 HydrophobicContact CE2-CD1 4.14Å; F119-L140 HydrophobicContact CZ-CD1 3.63Å; F119-L140 HydrophobicContact CZ-CG 3.95Å; F119-L141 HydrophobicContact CE1-CD2 4.39Å; F119-T144 HydrophobicContact CD1-CG2 4.06Å; F119-T144 HydrophobicContact CE1-CG2 3.77Å; F119-I146 HydrophobicContact CB-CD1 4.33Å; F119-I146 HydrophobicContact CD1-CD1 3.9Å
120	S	95.4	Very high	95.3	Very high	60 Å²	60	40 Å²	40	42%	0.42	20%	0.199	S	C	.	.	G	3₁₀ helix	trans	-88.2	-6.8	176.3	72.6	0	0	0	0	114.2	K30 I117 F118	K30-S120 VanDerWaalsContact CD-O 3.31Å; K30-S120 WeakPolarHBondContact CD-O 3.34Å; I117-S120 WeakPolarHBondContact O-CB 3.38Å; I117-S120 PolarHBondContact O-N 2.8Å; I117-S120 VanDerWaalsContact O-N 3.16Å; I117-S120 PolarHBondContact O-OG 2.94Å; F118-S120 PolarHBondContact O-N 2.67Å
121	F	97	Very high	95.1	Very high	12 Å²	12	41.3 Å²	41.3	5%	0.053	21%	0.205	C	C	.	.			trans	-107.4	153	-177.2	-55.8	-74.8	0	0	0	111.9	K30 C32 T56 I117 F118 V124 I146	K30-F121 HydrophobicContact CB-CD1 4.14Å; C32-F121 HydrophobicContact CB-CB 4.27Å; C32-F121 HydrophobicContact CB-CD1 3.72Å; C32-F121 HydrophobicContact CB-CD2 3.56Å; C32-F121 HydrophobicContact CB-CE1 3.86Å; C32-F121 HydrophobicContact CB-CE2 3.69Å; C32-F121 HydrophobicContact CB-CG 3.57Å; C32-F121 HydrophobicContact CB-CZ 3.85Å; T56-F121 HydrophobicContact CG2-CZ 4.21Å; I117-F121 HydrophobicContact CG1-CE2 4.34Å; I117-F121 WeakPolarHBondContact O-CD2 3.3Å; I117-F121 WeakPolarHBondContact O-CE2 3.45Å; F118-F121 PolarHBondContact O-N 3.18Å; F121-V124 HydrophobicContact CB-CG2 4.42Å; F121-I146 WeakPolarHBondContact O-CD1 3.35Å; F121-I146 WeakPolarHBondContact O-CG1 3.31Å
122	D	95.3	Very high	94.8	Very high	80 Å²	80	48.2 Å²	48.2	43%	0.428	23%	0.234	S	C	.	.	S	Bend	trans	-84.6	-34.9	172	-56.4	-66.1	0	0	0	111	A29 K30 I146 T147	A29-D122 WeakPolarHBondContact CA-OD2 3.47Å; K30-D122 PolarHBondContact N-OD2 3.22Å; K30-D122 PolarHBondContact O-N 3.43Å; D122-I146 WeakPolarHBondContact O-CA 3.2Å; D122-T147 PolarHBondContact O-N 2.9Å
123	I	97.4	Very high	94.7	Very high	4 Å²	4	41.2 Å²	41.2	2%	0.021	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	133.8	-178.4	-61.2	-176.2	0	0	0	110.1	K30 V31 C32 I125 T147 V149 V576 L579 I580	K30-I123 PolarHBondContact O-N 3.1Å; V31-I123 WeakPolarHBondContact CA-O 3.15Å; C32-I123 PolarHBondContact N-O 3.46Å; I123-I125 HydrophobicContact CG2-CG1 3.9Å; I123-T147 WeakPolarHBondContact CA-O 3.39Å; I123-V149 HydrophobicContact CG2-CG2 3.98Å; I123-V576 HydrophobicContact CD1-CG1 3.82Å; I123-V576 HydrophobicContact CG2-CG1 4.39Å; I123-V576 HydrophobicContact CG2-CG2 4.46Å; I123-L579 HydrophobicContact CD1-CB 3.72Å; I123-L579 HydrophobicContact CD1-CD1 4.43Å; I123-I580 HydrophobicContact CD1-CD1 4.15Å; I123-I580 HydrophobicContact CD1-CG1 3.47Å; I123-I580 VanDerWaalsContact CD1-CG1 3.47Å; I123-I580 HydrophobicContact CG1-CG1 4.42Å
124	V	98	Very high	94.7	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	115.7	171.1	-178.2	0	0	0	0	108.6	C32 L34 F118 F121 V126 L141 I146 T147 L148 V149	C32-V124 HydrophobicContact CB-CG1 4.48Å; C32-V124 HydrophobicContact CB-CG2 4.26Å; L34-V124 HydrophobicContact CD1-CG1 4.08Å; L34-V124 HydrophobicContact CG-CG1 4.2Å; F118-V124 HydrophobicContact CD1-CG1 4.38Å; F118-V124 HydrophobicContact CD1-CG2 4.28Å; F121-V124 HydrophobicContact CB-CG2 4.42Å; V124-V126 HydrophobicContact CG1-CG2 4.1Å; V124-L141 HydrophobicContact CB-CD1 4.21Å; V124-L141 HydrophobicContact CG2-CD1 4.07Å; V124-I146 HydrophobicContact CG2-CG2 3.99Å; V124-T147 PolarHBondContact N-O 3.43Å; V124-L148 HydrophobicContact CB-CD1 4.24Å; V124-L148 HydrophobicContact CG1-CD1 4.2Å; V124-L148 WeakPolarHBondContact O-CA 3.28Å; V124-V149 PolarHBondContact O-N 2.86Å
125	I	98.6	Very high	94.5	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	127.4	178.2	-52.5	176.6	0	0	0	108.1	V31 C32 L33 L34 I43 L47 I123 V149 V576	V31-I125 HydrophobicContact CG1-CD1 3.5Å; V31-I125 HydrophobicContact CG1-CG1 3.98Å; C32-I125 PolarHBondContact O-N 2.73Å; L33-I125 CarbonylContact C-O 3.59Å; L33-I125 WeakPolarHBondContact CA-O 3.45Å; L33-I125 HydrophobicContact CD1-CB 4.04Å; L33-I125 HydrophobicContact CD1-CG2 3.84Å; L34-I125 PolarHBondContact N-O 2.83Å; I43-I125 HydrophobicContact CD1-CG2 4.1Å; I43-I125 HydrophobicContact CG2-CD1 3.77Å; I43-I125 HydrophobicContact CG2-CG2 4.46Å; L47-I125 HydrophobicContact CD1-CD1 3.84Å; I123-I125 HydrophobicContact CG2-CG1 3.9Å; I125-V149 CarbonylContact C-O 3.47Å; I125-V149 WeakPolarHBondContact CA-O 3.01Å; I125-V149 HydrophobicContact CG1-CB 4.41Å; I125-V576 HydrophobicContact CD1-CG1 4.32Å; I125-V576 HydrophobicContact CD1-CG2 3.77Å; I125-V576 HydrophobicContact CG1-CG2 4.2Å
126	V	97.9	Very high	94.5	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	117.3	-175.7	-170.2	0	0	0	0	109.5	L34 V124 D128 L134 L137 L148 V149 C151	L34-V126 HydrophobicContact CB-CG1 4.27Å; L34-V126 HydrophobicContact CD1-CB 4.43Å; L34-V126 HydrophobicContact CD1-CG1 4.18Å; L34-V126 HydrophobicContact CD1-CG2 3.69Å; L34-V126 HydrophobicContact CG-CG2 4.19Å; V124-V126 HydrophobicContact CG1-CG2 4.1Å; V126-D128 VanDerWaalsContact C-N 3.32Å; V126-D128 HydrophobicContact CG1-CB 3.79Å; V126-L134 HydrophobicContact CB-CD2 4.15Å; V126-L134 HydrophobicContact CG1-CD2 3.52Å; V126-L137 HydrophobicContact CG1-CD1 4.44Å; V126-L137 HydrophobicContact CG2-CD1 4Å; V126-L148 HydrophobicContact CG2-CD1 3.52Å; V126-V149 PolarHBondContact N-O 2.8Å; V126-C151 PolarHBondContact O-N 2.79Å
127	T	96.9	Very high	94.5	Very high	2 Å²	2	31.8 Å²	31.8	1%	0.012	15%	0.149	C	C	.	.			trans	-96.1	24.3	175.9	65.1	0	0	0	0	113.9	L33 L34 R35 L39 I43 C151	L33-T127 HydrophobicContact CD1-CG2 3.95Å; L34-T127 PolarHBondContact O-N 3.19Å; L34-T127 VanDerWaalsContact O-N 3.09Å; L34-T127 PolarHBondContact O-OG1 3.32Å; R35-T127 WeakPolarHBondContact CB-OG1 3.38Å; R35-T127 PolarHBondContact O-OG1 3.49Å; L39-T127 HydrophobicContact CD2-CG2 4.26Å; L39-T127 HydrophobicContact CG-CG2 4.23Å; I43-T127 HydrophobicContact CD1-CG2 4.21Å; T127-C151 CarbonylContact C-O 3.58Å; T127-C151 WeakPolarHBondContact CA-O 3.2Å
128	D	93.4	Very high	94.4	Very high	1 Å²	1	30.7 Å²	30.7	1%	0.005	15%	0.145	C	C	.	.			trans	-111.9	140.1	-172.8	-157.9	-65.1	0	0	0	111.5	R35 V126 R130 L133 L134	R35-D128 WeakPolarHBondContact CD-OD2 3.49Å; R35-D128 IonicContact CZ-OD2 3.82Å; R35-D128 IonicContact NE-OD2 3.68Å; R35-D128 IonicContact NH1-OD2 3.61Å; R35-D128 PolarHBondContact NH1-OD2 2.81Å; V126-D128 VanDerWaalsContact C-N 3.32Å; V126-D128 HydrophobicContact CG1-CB 3.79Å; D128-R130 WeakPolarHBondContact OD1-CB 3.42Å; D128-R130 VanDerWaalsContact OD1-CG 3.22Å; D128-R130 WeakPolarHBondContact OD1-CG 3.47Å; D128-R130 IonicContact OD1-CZ 3.65Å; D128-R130 PolarHBondContact OD1-N 2.7Å; D128-R130 IonicContact OD1-NE 2.74Å; D128-R130 PolarHBondContact OD1-NE 3.23Å; D128-R130 IonicContact OD1-NH2 2.94Å; D128-R130 IonicContact OD2-CZ 3.3Å; D128-R130 VanDerWaalsContact OD2-CZ 3.25Å; D128-R130 IonicContact OD2-NE 3.84Å; D128-R130 PolarHBondContact OD2-NE 2.75Å; D128-R130 VanDerWaalsContact OD2-NE 3.09Å; D128-R130 IonicContact OD2-NH2 3.25Å; D128-R130 PolarHBondContact OD2-NH2 3.28Å; D128-L133 HydrophobicContact CB-CD2 4.26Å; D128-L134 WeakPolarHBondContact O-CD2 3.43Å
129	A	91.9	Very high	94.2	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	16%	0.162	C	C	.	.			trans	-97.1	-2.5	-178.8	0	0	0	0	0	114.3	E131 F152 S465 L468 W474 Y481	A129-E131 PolarHBondContact O-N 3.28Å; A129-F152 HydrophobicContact CB-CD1 4.12Å; A129-F152 HydrophobicContact CB-CD2 4.04Å; A129-F152 HydrophobicContact CB-CE1 4.13Å; A129-F152 HydrophobicContact CB-CE2 4.03Å; A129-F152 HydrophobicContact CB-CG 4.09Å; A129-F152 HydrophobicContact CB-CZ 4.09Å; A129-S465 WeakPolarHBondContact O-CB 3.48Å; A129-S465 PolarHBondContact O-OG 3.24Å; A129-L468 HydrophobicContact CB-CD2 4.38Å; A129-W474 HydrophobicContact CB-CH2 3.39Å; A129-W474 HydrophobicContact CB-CZ2 3.65Å; A129-Y481 PolarHBondContact N-OH 3.2Å
130	R	91.5	Very high	94.1	Very high	19 Å²	19	33.1 Å²	33.1	7%	0.072	16%	0.158	C	C	.	.			trans	-71.5	100.3	-176.2	-70.6	175.7	-67.1	177.3	3.6	111.4	D128 K132 L133 L134 L468 M469 Y481	D128-R130 WeakPolarHBondContact OD1-CB 3.42Å; D128-R130 VanDerWaalsContact OD1-CG 3.22Å; D128-R130 WeakPolarHBondContact OD1-CG 3.47Å; D128-R130 IonicContact OD1-CZ 3.65Å; D128-R130 PolarHBondContact OD1-N 2.7Å; D128-R130 IonicContact OD1-NE 2.74Å; D128-R130 PolarHBondContact OD1-NE 3.23Å; D128-R130 IonicContact OD1-NH2 2.94Å; D128-R130 IonicContact OD2-CZ 3.3Å; D128-R130 VanDerWaalsContact OD2-CZ 3.25Å; D128-R130 IonicContact OD2-NE 3.84Å; D128-R130 PolarHBondContact OD2-NE 2.75Å; D128-R130 VanDerWaalsContact OD2-NE 3.09Å; D128-R130 IonicContact OD2-NH2 3.25Å; D128-R130 PolarHBondContact OD2-NH2 3.28Å; R130-K132 VanDerWaalsContact C-N 3.29Å; R130-K132 PolarHBondContact O-N 3.21Å; R130-K132 VanDerWaalsContact O-N 3.11Å; R130-L133 HydrophobicContact CB-CB 4.24Å; R130-L133 WeakPolarHBondContact O-CB 3.44Å; R130-L133 PolarHBondContact O-N 3.26Å; R130-L134 PolarHBondContact O-N 3.15Å; R130-L134 VanDerWaalsContact O-N 3.15Å; R130-L468 HydrophobicContact CG-CD2 4.04Å; R130-L468 HydrophobicContact CG-CG 4.42Å; R130-M469 HydrophobicContact CB-SD 3.46Å; R130-M469 WeakPolarHBondContact CB-SD 3.26Å; R130-M469 HydrophobicContact CG-SD 3.66Å; R130-Y481 HydrophobicContact CG-CE1 4.13Å
131	E	90.1	Very high	94	Very high	33 Å²	33	30.6 Å²	30.6	15%	0.154	14%	0.14	C	C	.	.	H	α-helix	trans	-52.5	-39	-174.1	-64.3	-173.2	-162	0	0	114.6	A129 L133 L134 I135 M433 R462	A129-E131 PolarHBondContact O-N 3.28Å; E131-L133 VanDerWaalsContact C-N 3.3Å; E131-L133 PolarHBondContact O-N 3.47Å; E131-L134 PolarHBondContact O-N 3.44Å; E131-I135 VanDerWaalsContact O-CG1 3.3Å; E131-I135 WeakPolarHBondContact O-CG1 3.48Å; E131-I135 PolarHBondContact O-N 3.33Å; E131-M433 HydrophobicContact CB-CE 4.29Å; E131-M433 HydrophobicContact CB-SD 3.91Å; E131-M433 HydrophobicContact CG-CE 3.88Å; E131-M433 HydrophobicContact CG-SD 4.01Å; E131-R462 WeakPolarHBondContact OE1-CD 3.39Å; E131-R462 IonicContact OE1-CZ 3.94Å; E131-R462 IonicContact OE1-NE 3.61Å; E131-R462 PolarHBondContact OE1-NE 2.71Å; E131-R462 IonicContact OE1-NH2 3.7Å; E131-R462 IonicContact OE2-CZ 2.78Å; E131-R462 IonicContact OE2-NE 3.58Å; E131-R462 PolarHBondContact OE2-NE 2.92Å; E131-R462 IonicContact OE2-NH2 3.79Å; E131-R462 PolarHBondContact OE2-NH2 3.49Å
132	K	89.4	Confident	93.6	Very high	159 Å²	159	33.9 Å²	33.9	69%	0.691	17%	0.165	S	C	*	.	H	α-helix	trans	-61.5	-39.6	178.1	-69.8	-170.6	-169.4	170.1	0	112.2	R130 R136 M469	R130-K132 VanDerWaalsContact C-N 3.29Å; R130-K132 PolarHBondContact O-N 3.21Å; R130-K132 VanDerWaalsContact O-N 3.11Å; K132-R136 WeakPolarHBondContact O-CB 3.47Å; K132-R136 PolarHBondContact O-N 3.21Å; K132-R136 VanDerWaalsContact O-N 3.15Å; K132-M469 HydrophobicContact CB-CE 3.87Å; K132-M469 HydrophobicContact CB-SD 4.49Å; K132-M469 HydrophobicContact CD-CE 3.5Å; K132-M469 HydrophobicContact CG-CE 3.67Å
133	L	92.2	Very high	93	Very high	10 Å²	10	33.7 Å²	33.7	5%	0.052	18%	0.181	C	C	.	.	H	α-helix	trans	-67	-46.5	176.8	173.6	63.6	0	0	0	110.3	V107 R108 L111 D128 R130 E131 I135 R136 L137	V107-L133 HydrophobicContact CB-CD1 4.28Å; V107-L133 HydrophobicContact CB-CD2 4.36Å; V107-L133 HydrophobicContact CG1-CD1 3.73Å; V107-L133 HydrophobicContact CG1-CD2 4.32Å; R108-L133 HydrophobicContact CG-CD1 4.28Å; L111-L133 HydrophobicContact CD1-CD1 3.35Å; D128-L133 HydrophobicContact CB-CD2 4.26Å; R130-L133 HydrophobicContact CB-CB 4.24Å; R130-L133 WeakPolarHBondContact O-CB 3.44Å; R130-L133 PolarHBondContact O-N 3.26Å; E131-L133 VanDerWaalsContact C-N 3.3Å; E131-L133 PolarHBondContact O-N 3.47Å; L133-I135 PolarHBondContact O-N 3.12Å; L133-R136 WeakPolarHBondContact O-CB 3.15Å; L133-R136 PolarHBondContact O-N 3.22Å; L133-L137 HydrophobicContact CD1-CD1 4.15Å; L133-L137 HydrophobicContact CD1-CG 4.45Å; L133-L137 HydrophobicContact CG-CD1 4.08Å; L133-L137 PolarHBondContact O-N 3.21Å
134	L	93.6	Very high	92.6	Very high	2 Å²	2	35.5 Å²	35.5	1%	0.01	19%	0.192	C	C	.	.	H	α-helix	trans	-62.3	-43.2	-178.9	-59.1	176	0	0	0	112.4	V126 D128 R130 E131 R136 L137 S138 V150 L429 M433	V126-L134 HydrophobicContact CB-CD2 4.15Å; V126-L134 HydrophobicContact CG1-CD2 3.52Å; D128-L134 WeakPolarHBondContact O-CD2 3.43Å; R130-L134 PolarHBondContact O-N 3.15Å; R130-L134 VanDerWaalsContact O-N 3.15Å; E131-L134 PolarHBondContact O-N 3.44Å; L134-R136 VanDerWaalsContact C-N 3.34Å; L134-R136 PolarHBondContact O-N 3.02Å; L134-L137 PolarHBondContact O-N 3.08Å; L134-S138 WeakPolarHBondContact O-CB 3.34Å; L134-S138 PolarHBondContact O-N 2.99Å; L134-V150 HydrophobicContact CD1-CG1 3.84Å; L134-V150 HydrophobicContact CD2-CG1 3.87Å; L134-V150 HydrophobicContact CD2-CG2 4.06Å; L134-V150 HydrophobicContact CG-CG1 4.48Å; L134-L429 HydrophobicContact CB-CD2 3.36Å; L134-L429 HydrophobicContact CD1-CD2 4.42Å; L134-L429 HydrophobicContact CG-CD2 4.45Å; L134-M433 HydrophobicContact CD1-CE 3.98Å
135	I	91.9	Very high	92.1	Very high	26 Å²	26	41.1 Å²	41.1	13%	0.133	23%	0.232	C	C	.	.	H	α-helix	trans	-62.4	-43.1	174.8	-67.6	167.1	0	0	0	110.3	E131 L133 L137 S138 Q139 E430 M433	E131-I135 VanDerWaalsContact O-CG1 3.3Å; E131-I135 WeakPolarHBondContact O-CG1 3.48Å; E131-I135 PolarHBondContact O-N 3.33Å; L133-I135 PolarHBondContact O-N 3.12Å; I135-L137 PolarHBondContact O-N 3.06Å; I135-S138 PolarHBondContact O-N 3.47Å; I135-Q139 HydrophobicContact CG2-CG 4.33Å; I135-Q139 WeakPolarHBondContact O-CB 3.36Å; I135-Q139 VanDerWaalsContact O-CG 3.28Å; I135-Q139 WeakPolarHBondContact O-CG 3.39Å; I135-Q139 PolarHBondContact O-N 3.07Å; I135-E430 HydrophobicContact CG2-CB 4.44Å; I135-M433 HydrophobicContact CD1-CB 4.16Å; I135-M433 HydrophobicContact CD1-SD 3.89Å; I135-M433 HydrophobicContact CG1-CB 4.49Å; I135-M433 HydrophobicContact CG1-SD 3.67Å
136	R	92.9	Very high	91.8	Very high	149 Å²	149	41.6 Å²	41.6	56%	0.562	23%	0.234	S	C	*	.	H	α-helix	trans	-61.3	-44.6	179	-168	73.1	171.8	176.1	-0.3	111.7	L111 K132 L133 L134 Q139 L140	L111-R136 HydrophobicContact CD1-CB 4.39Å; L111-R136 HydrophobicContact CD1-CG 4.07Å; K132-R136 WeakPolarHBondContact O-CB 3.47Å; K132-R136 PolarHBondContact O-N 3.21Å; K132-R136 VanDerWaalsContact O-N 3.15Å; L133-R136 WeakPolarHBondContact O-CB 3.15Å; L133-R136 PolarHBondContact O-N 3.22Å; L134-R136 VanDerWaalsContact C-N 3.34Å; L134-R136 PolarHBondContact O-N 3.02Å; R136-Q139 PolarHBondContact O-N 2.94Å; R136-L140 WeakPolarHBondContact O-CB 3.28Å; R136-L140 PolarHBondContact O-N 2.89Å
137	L	94.2	Very high	91.6	Very high	0 Å²	0	42 Å²	42	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-63.6	-46.2	174.4	-77	164.4	0	0	0	111.6	L34 L111 F118 V126 L133 L134 I135 Q139 L140 L141 L148	L34-L137 HydrophobicContact CD1-CD1 3.6Å; L34-L137 HydrophobicContact CD1-CD2 4.37Å; L111-L137 HydrophobicContact CD1-CD2 4.25Å; L111-L137 HydrophobicContact CD1-CG 4.13Å; L111-L137 HydrophobicContact CD2-CD2 3.86Å; L111-L137 HydrophobicContact CD2-CG 4.48Å; L111-L137 HydrophobicContact CG-CD2 4.47Å; F118-L137 HydrophobicContact CD1-CD2 4.37Å; F118-L137 HydrophobicContact CE1-CD2 4.13Å; F118-L137 HydrophobicContact CE2-CD2 4.28Å; F118-L137 HydrophobicContact CZ-CD2 4.09Å; V126-L137 HydrophobicContact CG1-CD1 4.44Å; V126-L137 HydrophobicContact CG2-CD1 4Å; L133-L137 HydrophobicContact CD1-CD1 4.15Å; L133-L137 HydrophobicContact CD1-CG 4.45Å; L133-L137 HydrophobicContact CG-CD1 4.08Å; L133-L137 PolarHBondContact O-N 3.21Å; L134-L137 PolarHBondContact O-N 3.08Å; I135-L137 PolarHBondContact O-N 3.06Å; L137-Q139 VanDerWaalsContact C-N 3.26Å; L137-Q139 PolarHBondContact O-N 2.8Å; L137-L140 PolarHBondContact O-N 2.85Å; L137-L141 WeakPolarHBondContact O-CG 3.15Å; L137-L141 PolarHBondContact O-N 3.2Å; L137-L148 HydrophobicContact CB-CD1 4.44Å; L137-L148 HydrophobicContact CB-CD2 4.38Å
138	S	93.2	Very high	91.5	Very high	14 Å²	14	42.1 Å²	42.1	10%	0.098	24%	0.237	C	C	.	.	H	α-helix	trans	-59.7	-37.2	177.2	-177.8	0	0	0	0	112.2	L134 I135 S142	L134-S138 WeakPolarHBondContact O-CB 3.34Å; L134-S138 PolarHBondContact O-N 2.99Å; I135-S138 PolarHBondContact O-N 3.47Å; S138-S142 WeakPolarHBondContact O-CB 2.93Å; S138-S142 PolarHBondContact O-N 3.33Å; S138-S142 VanDerWaalsContact O-N 3.12Å
139	Q	92.1	Very high	91.7	Very high	78 Å²	78	42 Å²	42	36%	0.364	24%	0.237	S	C	.	.	H	α-helix	trans	-70.8	-42.7	176.3	-74.8	175.5	-17.8	0	0	111.8	I135 R136 L137 L141 S142 E430	I135-Q139 HydrophobicContact CG2-CG 4.33Å; I135-Q139 WeakPolarHBondContact O-CB 3.36Å; I135-Q139 VanDerWaalsContact O-CG 3.28Å; I135-Q139 WeakPolarHBondContact O-CG 3.39Å; I135-Q139 PolarHBondContact O-N 3.07Å; R136-Q139 PolarHBondContact O-N 2.94Å; L137-Q139 VanDerWaalsContact C-N 3.26Å; L137-Q139 PolarHBondContact O-N 2.8Å; Q139-L141 VanDerWaalsContact C-N 3.34Å; Q139-L141 PolarHBondContact O-N 2.84Å; Q139-S142 VanDerWaalsContact O-CB 3.31Å; Q139-S142 WeakPolarHBondContact O-CB 3.44Å; Q139-S142 PolarHBondContact O-N 2.81Å; Q139-E430 VanDerWaalsContact NE2-CD 3.29Å; Q139-E430 PolarHBondContact NE2-OE1 2.76Å; Q139-E430 PolarHBondContact NE2-OE2 3.09Å
140	L	93.9	Very high	92	Very high	46 Å²	46	42 Å²	42	24%	0.241	24%	0.237	C	C	.	.	H	α-helix	trans	-61.3	-42.9	178.7	179.7	66.2	0	0	0	112	L111 P115 F118 F119 R136 L137 S142	L111-L140 HydrophobicContact CD2-CD2 3.59Å; P115-L140 HydrophobicContact CB-CD1 3.96Å; P115-L140 HydrophobicContact CB-CD2 3.95Å; F118-L140 HydrophobicContact CB-CD2 4.33Å; F118-L140 HydrophobicContact CD2-CD2 3.72Å; F118-L140 HydrophobicContact CG-CD2 4.34Å; F119-L140 HydrophobicContact CE1-CG 4.49Å; F119-L140 HydrophobicContact CE2-CD1 4.14Å; F119-L140 HydrophobicContact CZ-CD1 3.63Å; F119-L140 HydrophobicContact CZ-CG 3.95Å; R136-L140 WeakPolarHBondContact O-CB 3.28Å; R136-L140 PolarHBondContact O-N 2.89Å; L137-L140 PolarHBondContact O-N 2.85Å; L140-S142 VanDerWaalsContact C-N 3.33Å
141	L	92.6	Very high	92.3	Very high	7 Å²	7	41.1 Å²	41.1	4%	0.037	23%	0.233	C	C	.	.	S	Bend	trans	-85.9	-7.3	-178	-58.5	178.3	0	0	0	113	F118 F119 V124 L137 Q139 G143 T144 I146 L148	F118-L141 HydrophobicContact CB-CD2 4.1Å; F119-L141 HydrophobicContact CE1-CD2 4.39Å; V124-L141 HydrophobicContact CB-CD1 4.21Å; V124-L141 HydrophobicContact CG2-CD1 4.07Å; L137-L141 WeakPolarHBondContact O-CG 3.15Å; L137-L141 PolarHBondContact O-N 3.2Å; Q139-L141 VanDerWaalsContact C-N 3.34Å; Q139-L141 PolarHBondContact O-N 2.84Å; L141-G143 PolarHBondContact O-N 3.39Å; L141-T144 WeakPolarHBondContact O-CB 3.31Å; L141-T144 PolarHBondContact O-N 2.74Å; L141-T144 VanDerWaalsContact O-N 3.1Å; L141-T144 PolarHBondContact O-OG1 2.77Å; L141-I146 HydrophobicContact CD1-CG2 4.2Å; L141-I146 HydrophobicContact CD2-CB 4.22Å; L141-I146 HydrophobicContact CD2-CD1 4.09Å; L141-I146 HydrophobicContact CD2-CG2 4.08Å; L141-L148 HydrophobicContact CD1-CB 4.1Å; L141-L148 HydrophobicContact CD1-CD1 4.16Å
142	S	88.3	Confident	92.5	Very high	82 Å²	82	40.2 Å²	40.2	57%	0.573	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.8	132.2	179.5	-170.2	0	0	0	0	111.2	S138 Q139 L140 T144	S138-S142 WeakPolarHBondContact O-CB 2.93Å; S138-S142 PolarHBondContact O-N 3.33Å; S138-S142 VanDerWaalsContact O-N 3.12Å; Q139-S142 VanDerWaalsContact O-CB 3.31Å; Q139-S142 WeakPolarHBondContact O-CB 3.44Å; Q139-S142 PolarHBondContact O-N 2.81Å; L140-S142 VanDerWaalsContact C-N 3.33Å; S142-T144 PolarHBondContact O-N 3.28Å
143	G	83.5	Confident	92.8	Very high	75 Å²	75	32.9 Å²	32.9	77%	0.773	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	77.7	1.3	-178.6	0	0	0	0	0	115.3	L141	L141-G143 PolarHBondContact O-N 3.39Å
144	T	89.2	Confident	93	Very high	42 Å²	42	32.6 Å²	32.6	26%	0.258	20%	0.196	S	C	.	.	S	Bend	trans	-94.2	170.3	170.4	74.7	0	0	0	0	111.6	F119 L141 S142 I146	F119-T144 HydrophobicContact CD1-CG2 4.06Å; F119-T144 HydrophobicContact CE1-CG2 3.77Å; L141-T144 WeakPolarHBondContact O-CB 3.31Å; L141-T144 PolarHBondContact O-N 2.74Å; L141-T144 VanDerWaalsContact O-N 3.1Å; L141-T144 PolarHBondContact O-OG1 2.77Å; S142-T144 PolarHBondContact O-N 3.28Å; T144-I146 PolarHBondContact O-N 3.13Å; T144-I146 WeakPolarHBondContact OG1-CB 3.46Å; T144-I146 PolarHBondContact OG1-N 2.9Å
145	S	86.6	Confident	93	Very high	119 Å²	119	32.6 Å²	32.6	83%	0.832	20%	0.197	S	C	*	.	S	Bend	trans	-80	-0.4	171.8	54.9	0	0	0	0	113.6
146	I	92.1	Very high	93.1	Very high	10 Å²	10	32.8 Å²	32.8	5%	0.051	20%	0.199	C	C	.	.	P	Polyproline II helix	trans	-81.4	126.6	-172.6	-53.7	177.6	0	0	0	108.5	F118 F119 F121 D122 V124 L141 T144	F118-I146 WeakPolarHBondContact O-CD1 3.43Å; F119-I146 HydrophobicContact CB-CD1 4.33Å; F119-I146 HydrophobicContact CD1-CD1 3.9Å; F121-I146 WeakPolarHBondContact O-CD1 3.35Å; F121-I146 WeakPolarHBondContact O-CG1 3.31Å; D122-I146 WeakPolarHBondContact O-CA 3.2Å; V124-I146 HydrophobicContact CG2-CG2 3.99Å; L141-I146 HydrophobicContact CD1-CG2 4.2Å; L141-I146 HydrophobicContact CD2-CB 4.22Å; L141-I146 HydrophobicContact CD2-CD1 4.09Å; L141-I146 HydrophobicContact CD2-CG2 4.08Å; T144-I146 PolarHBondContact O-N 3.13Å; T144-I146 WeakPolarHBondContact OG1-CB 3.46Å; T144-I146 PolarHBondContact OG1-N 2.9Å
147	T	93.8	Very high	93.3	Very high	9 Å²	9	25.7 Å²	25.7	6%	0.055	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	129.8	179.7	-59.1	0	0	0	0	110.4	D122 I123 V124 V149 I162 L579	D122-T147 PolarHBondContact O-N 2.9Å; I123-T147 WeakPolarHBondContact CA-O 3.39Å; V124-T147 PolarHBondContact N-O 3.43Å; T147-V149 HydrophobicContact CG2-CG2 4.28Å; T147-I162 HydrophobicContact CG2-CG2 3.9Å; T147-L579 HydrophobicContact CG2-CD1 3.65Å; T147-L579 HydrophobicContact CG2-CD2 4.09Å; T147-L579 HydrophobicContact CG2-CG 4.41Å
148	L	95.9	Very high	93.4	Very high	3 Å²	3	25.7 Å²	25.7	2%	0.016	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	124.2	174.1	177.8	68.5	0	0	0	109.3	V124 V126 L137 L141 V150 C163	V124-L148 HydrophobicContact CB-CD1 4.24Å; V124-L148 HydrophobicContact CG1-CD1 4.2Å; V124-L148 WeakPolarHBondContact O-CA 3.28Å; V126-L148 HydrophobicContact CG2-CD1 3.52Å; L137-L148 HydrophobicContact CB-CD1 4.44Å; L137-L148 HydrophobicContact CB-CD2 4.38Å; L141-L148 HydrophobicContact CD1-CB 4.1Å; L141-L148 HydrophobicContact CD1-CD1 4.16Å; L148-V150 HydrophobicContact CD2-CG2 4.24Å; L148-V150 HydrophobicContact CG-CG2 4.1Å; L148-C163 HydrophobicContact CB-CB 4.1Å; L148-C163 PolarHBondContact N-O 3.13Å; L148-C163 VanDerWaalsContact N-O 3.15Å; L148-C163 PolarHBondContact O-N 3.42Å
149	V	97.4	Very high	93.6	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	108.9	176.8	-178.9	0	0	0	0	108.2	I123 V124 I125 V126 T147 L160 I162 V572 V576 L579	I123-V149 HydrophobicContact CG2-CG2 3.98Å; V124-V149 PolarHBondContact O-N 2.86Å; I125-V149 CarbonylContact C-O 3.47Å; I125-V149 WeakPolarHBondContact CA-O 3.01Å; I125-V149 HydrophobicContact CG1-CB 4.41Å; V126-V149 PolarHBondContact N-O 2.8Å; T147-V149 HydrophobicContact CG2-CG2 4.28Å; V149-L160 HydrophobicContact CG1-CD1 3.68Å; V149-I162 HydrophobicContact CG2-CG1 4.48Å; V149-V572 HydrophobicContact CG1-CG1 3.9Å; V149-V576 HydrophobicContact CG1-CG2 4.46Å; V149-V576 HydrophobicContact CG2-CG2 4.19Å; V149-L579 HydrophobicContact CG2-CD1 3.86Å
150	V	97.3	Very high	93.9	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	126.6	177.2	-177.8	0	0	0	0	108.3	L134 L148 F152 Y159 L160 R161 L429	L134-V150 HydrophobicContact CD1-CG1 3.84Å; L134-V150 HydrophobicContact CD2-CG1 3.87Å; L134-V150 HydrophobicContact CD2-CG2 4.06Å; L134-V150 HydrophobicContact CG-CG1 4.48Å; L148-V150 HydrophobicContact CD2-CG2 4.24Å; L148-V150 HydrophobicContact CG-CG2 4.1Å; V150-F152 HydrophobicContact CG1-CD1 4.47Å; V150-F152 HydrophobicContact CG1-CE1 4.48Å; V150-Y159 HydrophobicContact CG1-CE1 4.04Å; V150-L160 CarbonylContact O-C 3.57Å; V150-L160 WeakPolarHBondContact O-CA 3.26Å; V150-R161 HydrophobicContact CB-CB 4.36Å; V150-R161 PolarHBondContact N-O 2.77Å; V150-R161 PolarHBondContact O-N 3.14Å; V150-L429 HydrophobicContact CG2-CD2 4.43Å
151	C	97.7	Very high	93.9	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	153.7	173.5	53.6	0	0	0	0	109.9	L39 I43 V126 T127 Y159 L160 V572	L39-C151 HydrophobicContact CD2-CB 4.2Å; I43-C151 WeakPolarHBondContact CD1-SG 3.06Å; V126-C151 PolarHBondContact O-N 2.79Å; T127-C151 CarbonylContact C-O 3.58Å; T127-C151 WeakPolarHBondContact CA-O 3.2Å; C151-Y159 CarbonylContact C-O 3.4Å; C151-Y159 WeakPolarHBondContact CA-O 3.39Å; C151-Y159 WeakPolarHBondContact CB-O 3.4Å; C151-L160 HydrophobicContact CB-CD1 4.42Å; C151-V572 HydrophobicContact CB-CG2 3.88Å
152	F	95.6	Very high	94	Very high	14 Å²	14	19.4 Å²	19.4	6%	0.061	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.6	157.9	168.2	50.5	-89.1	0	0	0	109.1	A129 V150 I154 Y159 L461	A129-F152 HydrophobicContact CB-CD1 4.12Å; A129-F152 HydrophobicContact CB-CD2 4.04Å; A129-F152 HydrophobicContact CB-CE1 4.13Å; A129-F152 HydrophobicContact CB-CE2 4.03Å; A129-F152 HydrophobicContact CB-CG 4.09Å; A129-F152 HydrophobicContact CB-CZ 4.09Å; V150-F152 HydrophobicContact CG1-CD1 4.47Å; V150-F152 HydrophobicContact CG1-CE1 4.48Å; F152-I154 HydrophobicContact CD2-CD1 4.15Å; F152-I154 HydrophobicContact CD2-CG1 4.25Å; F152-I154 HydrophobicContact CE2-CD1 4.27Å; F152-Y159 AromaticContact CD1-CD1 3.78Å; F152-Y159 HydrophobicContact CD1-CD1 3.78Å; F152-Y159 AromaticContact CE1-CD1 3.25Å; F152-Y159 HydrophobicContact CE1-CD1 3.25Å; F152-Y159 AromaticContact CE1-CE1 3.77Å; F152-Y159 HydrophobicContact CE1-CE1 3.77Å; F152-Y159 HydrophobicContact CE1-CG 4.03Å; F152-Y159 AromaticContact CZ-CD1 3.72Å; F152-Y159 HydrophobicContact CZ-CD1 3.72Å; F152-Y159 HydrophobicContact CZ-CE1 4.34Å; F152-Y159 HydrophobicContact CZ-CG 4.05Å; F152-Y159 PolarHBondContact N-O 3.46Å; F152-Y159 VanDerWaalsContact N-O 3.12Å; F152-Y159 PolarHBondContact O-N 3.17Å; F152-L461 HydrophobicContact CE2-CB 4.46Å; F152-L461 HydrophobicContact CE2-CD1 4.41Å; F152-L461 HydrophobicContact CE2-CD2 4.08Å
153	S	95.4	Very high	94.2	Very high	5 Å²	5	16 Å²	16	4%	0.035	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	136.8	178.9	-172.6	0	0	0	0	109.8	I157 V564	S153-I157 WeakPolarHBondContact CA-O 3.4Å; S153-V564 WeakPolarHBondContact OG-CG1 3.29Å
154	I	95	Very high	94.4	Very high	3 Å²	3	12.7 Å²	12.7	2%	0.015	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	115.2	174.9	-53	175.9	0	0	0	108.1	F152 V156 I157 L461 W474 M553 F556	F152-I154 HydrophobicContact CD2-CD1 4.15Å; F152-I154 HydrophobicContact CD2-CG1 4.25Å; F152-I154 HydrophobicContact CE2-CD1 4.27Å; I154-V156 PolarHBondContact O-N 3.26Å; I154-I157 PolarHBondContact N-O 3.36Å; I154-I157 PolarHBondContact O-N 2.95Å; I154-L461 HydrophobicContact CB-CD2 4.48Å; I154-L461 HydrophobicContact CD1-CD2 3.78Å; I154-L461 HydrophobicContact CG1-CD2 4.41Å; I154-W474 HydrophobicContact CD1-CD2 4.34Å; I154-W474 HydrophobicContact CD1-CE3 4Å; I154-W474 HydrophobicContact CD1-CH2 3.17Å; I154-W474 HydrophobicContact CD1-CZ2 3.54Å; I154-W474 HydrophobicContact CD1-CZ3 3.42Å; I154-W474 VanDerWaalsContact CD1-CZ3 3.42Å; I154-W474 HydrophobicContact CG1-CH2 4.29Å; I154-W474 HydrophobicContact CG1-CZ2 4.22Å; I154-M553 HydrophobicContact CG2-SD 3.98Å; I154-F556 HydrophobicContact CG2-CB 3.82Å; I154-F556 HydrophobicContact CG2-CD2 4.03Å; I154-F556 HydrophobicContact CG2-CG 4.39Å
155	G	94.3	Very high	93.9	Very high	3 Å²	3	13.6 Å²	13.6	3%	0.031	9%	0.087	C	C	.	.	B	Isolated β-bridge	trans	54.8	-112.8	-173.7	0	0	0	0	0	110.9	N559	G155-N559 PolarHBondContact N-O 3.09Å
156	V	95.2	Very high	94	Very high	29 Å²	29	9.3 Å²	9.3	18%	0.176	5%	0.054	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.6	6.5	-178.2	-68.3	0	0	0	0	114.1	I154 F556 L561 A595 I596	I154-V156 PolarHBondContact O-N 3.26Å; V156-F556 HydrophobicContact CG2-CE1 3.47Å; V156-F556 VanDerWaalsContact CG2-CE1 3.47Å; V156-F556 HydrophobicContact CG2-CE2 4.24Å; V156-F556 HydrophobicContact CG2-CZ 3.26Å; V156-L561 HydrophobicContact CG1-CD1 3.58Å; V156-A595 HydrophobicContact CB-CB 3.97Å; V156-A595 HydrophobicContact CG1-CB 4.45Å; V156-A595 VanDerWaalsContact O-CB 3.24Å; V156-A595 WeakPolarHBondContact O-CB 3.44Å; V156-A595 PolarHBondContact O-N 2.91Å; V156-I596 HydrophobicContact CB-CG1 4.21Å; V156-I596 HydrophobicContact CG2-CD1 3.82Å; V156-I596 HydrophobicContact CG2-CG1 3.48Å; V156-I596 VanDerWaalsContact CG2-CG1 3.48Å
157	I	96.4	Very high	94	Very high	1 Å²	1	9 Å²	9	1%	0.005	5%	0.053	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	129.5	-178.5	-51.4	-59.7	0	0	0	110.4	S153 I154 W457 L461 F556 I592 Y593 N594	S153-I157 WeakPolarHBondContact CA-O 3.4Å; I154-I157 PolarHBondContact N-O 3.36Å; I154-I157 PolarHBondContact O-N 2.95Å; I157-W457 HydrophobicContact CD1-CD2 3.66Å; I157-W457 HydrophobicContact CD1-CE3 4.07Å; I157-W457 HydrophobicContact CD1-CG 3.95Å; I157-W457 HydrophobicContact CD1-CZ2 4.21Å; I157-W457 HydrophobicContact CG1-CD2 3.9Å; I157-W457 HydrophobicContact CG1-CE3 3.77Å; I157-W457 HydrophobicContact CG1-CG 4.41Å; I157-W457 HydrophobicContact CG1-CZ3 4.1Å; I157-W457 HydrophobicContact CG2-CB 4.4Å; I157-L461 HydrophobicContact CG2-CD1 3.83Å; I157-L461 HydrophobicContact CG2-CD2 4.44Å; I157-L461 HydrophobicContact CG2-CG 4.42Å; I157-F556 HydrophobicContact CG1-CE2 3.83Å; I157-F556 HydrophobicContact CG1-CZ 4.27Å; I157-I592 HydrophobicContact CG2-CG2 4.34Å; I157-Y593 CarbonylContact C-O 3.43Å; I157-Y593 WeakPolarHBondContact CA-O 3.36Å; I157-N594 HydrophobicContact CD1-CB 4.13Å
158	G	96.8	Very high	94.1	Very high	0 Å²	0	8.9 Å²	8.9	0%	0	5%	0.052	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	140.6	172	0	0	0	0	0	111.6	I592 Y593	G158-I592 WeakPolarHBondContact O-CA 3.47Å; G158-Y593 PolarHBondContact N-O 3.02Å; G158-Y593 PolarHBondContact O-N 2.94Å
159	Y	96.9	Very high	94	Very high	6 Å²	6	8.8 Å²	8.8	2%	0.024	5%	0.051	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	140.4	173.8	173.8	-102.4	0	0	0	110.3	V150 C151 F152 R161 E432 Y458 P590 L591 I592	V150-Y159 HydrophobicContact CG1-CE1 4.04Å; C151-Y159 CarbonylContact C-O 3.4Å; C151-Y159 WeakPolarHBondContact CA-O 3.39Å; C151-Y159 WeakPolarHBondContact CB-O 3.4Å; F152-Y159 AromaticContact CD1-CD1 3.78Å; F152-Y159 HydrophobicContact CD1-CD1 3.78Å; F152-Y159 AromaticContact CE1-CD1 3.25Å; F152-Y159 HydrophobicContact CE1-CD1 3.25Å; F152-Y159 AromaticContact CE1-CE1 3.77Å; F152-Y159 HydrophobicContact CE1-CE1 3.77Å; F152-Y159 HydrophobicContact CE1-CG 4.03Å; F152-Y159 AromaticContact CZ-CD1 3.72Å; F152-Y159 HydrophobicContact CZ-CD1 3.72Å; F152-Y159 HydrophobicContact CZ-CE1 4.34Å; F152-Y159 HydrophobicContact CZ-CG 4.05Å; F152-Y159 PolarHBondContact N-O 3.46Å; F152-Y159 VanDerWaalsContact N-O 3.12Å; F152-Y159 PolarHBondContact O-N 3.17Å; Y159-R161 HydrophobicContact CE1-CB 3.72Å; Y159-R161 HydrophobicContact CE2-CB 4.39Å; Y159-R161 VanDerWaalsContact OH-CB 3.24Å; Y159-R161 WeakPolarHBondContact OH-CB 3.47Å; Y159-E432 PolarHBondContact OH-OE1 3.01Å; Y159-Y458 HydrophobicContact CD2-CD2 4.31Å; Y159-Y458 AromaticContact CE2-CD2 3.83Å; Y159-Y458 HydrophobicContact CE2-CD2 3.83Å; Y159-Y458 AromaticContact CE2-CE2 3.74Å; Y159-Y458 HydrophobicContact CE2-CE2 3.74Å; Y159-P590 HydrophobicContact CE2-CB 4.01Å; Y159-L591 WeakPolarHBondContact CA-O 3.46Å; Y159-I592 HydrophobicContact CD2-CD1 3.77Å
160	L	97.3	Very high	94	Very high	0 Å²	0	9.2 Å²	9.2	0%	0	5%	0.054	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	134.6	170.9	162	64.4	0	0	0	110.3	V149 V150 C151 I162 M568 V571 V572 E575 V587 P590 L591	V149-L160 HydrophobicContact CG1-CD1 3.68Å; V150-L160 CarbonylContact O-C 3.57Å; V150-L160 WeakPolarHBondContact O-CA 3.26Å; C151-L160 HydrophobicContact CB-CD1 4.42Å; L160-I162 HydrophobicContact CD1-CG1 4.17Å; L160-M568 HydrophobicContact CB-CE 4.01Å; L160-V571 HydrophobicContact CD2-CG1 4.11Å; L160-V572 HydrophobicContact CB-CG2 4.44Å; L160-V572 HydrophobicContact CD1-CG1 4.45Å; L160-V572 HydrophobicContact CD1-CG2 4.14Å; L160-V572 HydrophobicContact CD2-CG2 4.19Å; L160-V572 HydrophobicContact CG-CG2 4.48Å; L160-E575 HydrophobicContact CD2-CG 4.04Å; L160-V587 HydrophobicContact CD2-CG2 4.02Å; L160-V587 HydrophobicContact CG-CG2 4.46Å; L160-P590 WeakPolarHBondContact O-CA 3.33Å; L160-L591 HydrophobicContact CB-CB 4.16Å; L160-L591 HydrophobicContact CB-CD2 4.36Å; L160-L591 HydrophobicContact CD2-CD1 4.49Å; L160-L591 PolarHBondContact N-O 2.97Å; L160-L591 PolarHBondContact O-N 3.15Å
161	R	95.2	Very high	93.9	Very high	4 Å²	4	10.3 Å²	10.3	2%	0.015	6%	0.059	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	115.6	174.7	177.2	48.3	171.4	149.4	9.5	111.4	V150 Y159 R427 L429 E432 S588	V150-R161 HydrophobicContact CB-CB 4.36Å; V150-R161 PolarHBondContact N-O 2.77Å; V150-R161 PolarHBondContact O-N 3.14Å; Y159-R161 HydrophobicContact CE1-CB 3.72Å; Y159-R161 HydrophobicContact CE2-CB 4.39Å; Y159-R161 VanDerWaalsContact OH-CB 3.24Å; Y159-R161 WeakPolarHBondContact OH-CB 3.47Å; R161-R427 PolarHBondContact NH2-O 3.04Å; R161-L429 HydrophobicContact CG-CD1 4.03Å; R161-E432 IonicContact CZ-OE2 3.92Å; R161-E432 IonicContact NE-OE2 2.64Å; R161-E432 PolarHBondContact NE-OE2 3.05Å; R161-E432 IonicContact NH2-OE2 3.31Å; R161-S588 PolarHBondContact NH1-O 3.02Å
162	I	94.8	Very high	93.7	Very high	2 Å²	2	11.1 Å²	11.1	1%	0.01	7%	0.065	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	127.4	171	-59.1	176.4	0	0	0	109.8	T147 V149 L160 C426 E575 L579 P586 V587	T147-I162 HydrophobicContact CG2-CG2 3.9Å; V149-I162 HydrophobicContact CG2-CG1 4.48Å; L160-I162 HydrophobicContact CD1-CG1 4.17Å; I162-C426 WeakPolarHBondContact O-CB 3.18Å; I162-C426 PolarHBondContact O-SG 2.82Å; I162-E575 HydrophobicContact CD1-CB 3.78Å; I162-E575 HydrophobicContact CD1-CG 4.21Å; I162-L579 HydrophobicContact CD1-CD1 4.11Å; I162-L579 HydrophobicContact CG1-CD1 4.49Å; I162-L579 HydrophobicContact CG2-CD1 3.93Å; I162-L579 HydrophobicContact CG2-CD2 4.2Å; I162-P586 HydrophobicContact CD1-CB 4.15Å; I162-V587 HydrophobicContact CD1-CG2 3.53Å; I162-V587 WeakPolarHBondContact CD1-O 3.26Å; I162-V587 HydrophobicContact CG1-CG2 4.11Å
163	C	92.1	Very high	93.7	Very high	11 Å²	11	13.7 Å²	13.7	7%	0.074	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	96	174.5	-62.9	0	0	0	0	108.8	L148	L148-C163 HydrophobicContact CB-CB 4.1Å; L148-C163 PolarHBondContact N-O 3.13Å; L148-C163 VanDerWaalsContact N-O 3.15Å; L148-C163 PolarHBondContact O-N 3.42Å
164	S	86.6	Confident	93.6	Very high	6 Å²	6	15.6 Å²	15.6	4%	0.042	9%	0.089	C	C	.	.			trans	-125.5	121.7	173.2	-169.5	0	0	0	0	109.8	E166 C426	S164-E166 VanDerWaalsContact C-N 3.31Å; S164-E166 PolarHBondContact O-N 3.23Å; S164-C426 WeakPolarHBondContact O-CB 3.41Å; S164-C426 PolarHBondContact O-N 2.66Å
165	P	79.6	Confident	93.4	Very high	60 Å²	60	23.2 Å²	23.2	39%	0.39	13%	0.13	S	C	.	.	S	Bend	trans	-60.2	-41.7	179.1	-22.5	31.9	0	0	0	112.4
166	E	89.1	Confident	93.2	Very high	29 Å²	29	28.3 Å²	28.3	14%	0.136	17%	0.165	C	C	.	.			trans	-154.5	123.8	171.3	-176.4	172.9	78.7	0	0	110.1	S164 V168 R299 S340 W344 V423 R425	S164-E166 VanDerWaalsContact C-N 3.31Å; S164-E166 PolarHBondContact O-N 3.23Å; E166-V168 HydrophobicContact CG-CG1 4Å; E166-R299 IonicContact OE1-CZ 2.88Å; E166-R299 IonicContact OE1-NH1 3.42Å; E166-R299 PolarHBondContact OE1-NH1 3.13Å; E166-R299 WeakPolarHBondContact OE2-CD 3.33Å; E166-R299 IonicContact OE2-CZ 3.6Å; E166-R299 IonicContact OE2-NE 2.7Å; E166-R299 PolarHBondContact OE2-NE 2.95Å; E166-R299 IonicContact OE2-NH1 3.63Å; E166-R299 PolarHBondContact OE2-NH1 2.87Å; E166-R299 IonicContact OE2-NH2 2.7Å; E166-S340 PolarHBondContact OE1-OG 3.37Å; E166-W344 PolarHBondContact OE1-NE1 2.9Å; E166-W344 WeakPolarHBondContact OE2-CZ2 3.43Å; E166-W344 PolarHBondContact OE2-NE1 3.43Å; E166-V423 HydrophobicContact CG-CG1 3.59Å; E166-R425 IonicContact OE2-CZ 3.49Å; E166-R425 IonicContact OE2-NE 3.8Å; E166-R425 PolarHBondContact OE2-NE 3.41Å; E166-R425 IonicContact OE2-NH2 3.55Å; E166-R425 PolarHBondContact OE2-NH2 3.12Å
167	H	92.8	Very high	93	Very high	5 Å²	5	32 Å²	32	2%	0.023	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	111	172.1	-175.7	75.3	0	0	0	109.4	V423 V424 L579 H582	H167-V423 WeakPolarHBondContact O-CA 3.42Å; H167-V424 HydrophobicContact CB-CB 4.38Å; H167-V424 PolarHBondContact N-O 3.3Å; H167-V424 PolarHBondContact O-N 2.89Å; H167-L579 PolarHBondContact CE1-O 2.98Å; H167-L579 VanDerWaalsContact CE1-O 3.28Å; H167-H582 AromaticContact CE1-CE1 3.68Å; H167-H582 AromaticContact CE1-CG 3.71Å; H167-H582 AromaticContact CE1-ND1 3.34Å; H167-H582 PolarHBondContact CE1-ND1 3.36Å; H167-H582 VanDerWaalsContact CE1-ND1 3.34Å; H167-H582 AromaticContact ND1-CE1 3.74Å; H167-H582 AromaticContact ND1-ND1 3.72Å
168	V	94.4	Very high	92.6	Very high	6 Å²	6	35.7 Å²	35.7	4%	0.036	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	138.7	-178.4	-58.8	0	0	0	0	110.8	E166 F343 V423 H582	E166-V168 HydrophobicContact CG-CG1 4Å; V168-F343 HydrophobicContact CB-CB 4.06Å; V168-F343 HydrophobicContact CB-CD1 3.95Å; V168-F343 HydrophobicContact CB-CD2 3.84Å; V168-F343 HydrophobicContact CB-CE1 4.34Å; V168-F343 HydrophobicContact CB-CE2 4.22Å; V168-F343 HydrophobicContact CB-CG 3.68Å; V168-F343 HydrophobicContact CB-CZ 4.46Å; V168-F343 HydrophobicContact CG1-CB 4.17Å; V168-F343 HydrophobicContact CG1-CD1 3.68Å; V168-F343 HydrophobicContact CG1-CD2 4.48Å; V168-F343 HydrophobicContact CG1-CE1 4.16Å; V168-F343 HydrophobicContact CG1-CG 3.86Å; V168-F343 HydrophobicContact CG2-CB 3.92Å; V168-F343 HydrophobicContact CG2-CD2 4.26Å; V168-F343 HydrophobicContact CG2-CG 4.07Å; V168-V423 HydrophobicContact CG1-CG2 4.15Å; V168-H582 PolarHBondContact O-ND1 3.02Å
169	I	95.4	Very high	92.3	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	121	-174.5	-56.2	151.8	0	0	0	108.9	N422 V424 F584 V585	I169-N422 HydrophobicContact CB-CB 4.26Å; I169-N422 HydrophobicContact CD1-CB 4.17Å; I169-N422 PolarHBondContact N-O 3.33Å; I169-N422 PolarHBondContact O-N 3.29Å; I169-V424 HydrophobicContact CD1-CG2 4Å; I169-F584 WeakPolarHBondContact CD1-O 3.4Å; I169-V585 HydrophobicContact CD1-CG1 4.41Å; I169-V585 HydrophobicContact CD1-CG2 4.36Å
170	V	95.7	Very high	92.1	Very high	9 Å²	9	39.3 Å²	39.3	6%	0.055	22%	0.223	C	C	.	.	S	Bend	trans	-95.5	-43.1	170.5	176	0	0	0	0	110.3	S172 I338 F343 L413 F414 N417 L421	V170-S172 PolarHBondContact O-N 3.34Å; V170-I338 HydrophobicContact CB-CD1 4.33Å; V170-I338 HydrophobicContact CG2-CD1 3.74Å; V170-F343 HydrophobicContact CG2-CD2 3.79Å; V170-F343 HydrophobicContact CG2-CE2 3.98Å; V170-L413 HydrophobicContact CG1-CG 4.29Å; V170-F414 HydrophobicContact CG1-CD2 4.39Å; V170-F414 HydrophobicContact CG2-CD2 4.01Å; V170-N417 HydrophobicContact CG1-CB 4.02Å; V170-N417 WeakPolarHBondContact O-CB 3.43Å; V170-L421 HydrophobicContact CB-CD2 4.39Å; V170-L421 HydrophobicContact CG1-CD2 4.18Å; V170-L421 HydrophobicContact CG2-CD2 4.25Å
171	E	95	Very high	92	Very high	24 Å²	24	39.5 Å²	39.5	11%	0.112	22%	0.224	C	C	.	.	B	Isolated β-bridge	trans	-101.4	76.4	-178.3	-74.1	-178.9	114.5	0	0	111.1	H21 H173 L413 Q583 F584	H21-E171 IonicContact CD2-OE2 3.09Å; H21-E171 IonicContact CE1-OE2 3.43Å; H21-E171 IonicContact NE2-OE1 2.69Å; H21-E171 IonicContact NE2-OE2 3.76Å; H21-E171 PolarHBondContact NE2-OE2 3.01Å; E171-H173 PolarHBondContact O-CD2 3.33Å; E171-H173 PolarHBondContact O-N 3.43Å; E171-L413 HydrophobicContact CG-CD1 3.98Å; E171-L413 HydrophobicContact CG-CG 4.42Å; E171-L413 WeakPolarHBondContact OE1-CD1 3.49Å; E171-Q583 HydrophobicContact CB-CG 4.02Å; E171-Q583 CarbonylContact O-C 3.5Å; E171-Q583 VanDerWaalsContact O-CA 3.3Å; E171-Q583 WeakPolarHBondContact O-CA 3.32Å; E171-Q583 PolarHBondContact OE2-NE2 3.48Å; E171-F584 PolarHBondContact O-N 3.3Å
172	S	94.9	Very high	92.1	Very high	17 Å²	17	40.2 Å²	40.2	12%	0.119	23%	0.227	C	C	.	.			trans	-77	-7	180	56.4	0	0	0	0	114.5	V170 F420	V170-S172 PolarHBondContact O-N 3.34Å; S172-F420 WeakPolarHBondContact CB-O 3.44Å; S172-F420 VanDerWaalsContact OG-CB 3.22Å; S172-F420 WeakPolarHBondContact OG-CB 3.48Å; S172-F420 PolarHBondContact OG-O 2.91Å
173	H	95	Very high	92.1	Very high	68 Å²	68	40.2 Å²	40.2	32%	0.315	23%	0.227	S	C	.	.			trans	45	64.8	178.2	-67.3	-80.5	0	0	0	114	E171 D175 F584	E171-H173 PolarHBondContact O-CD2 3.33Å; E171-H173 PolarHBondContact O-N 3.43Å; H173-D175 PolarHBondContact O-N 3.38Å; H173-F584 HydrophobicContact CB-CD1 3.65Å; H173-F584 HydrophobicContact CB-CE1 3.41Å; H173-F584 VanDerWaalsContact CB-CE1 3.41Å; H173-F584 HydrophobicContact CB-CG 4.33Å; H173-F584 HydrophobicContact CB-CZ 3.91Å; H173-F584 AromaticContact CD2-CE2 3.75Å; H173-F584 AromaticContact CD2-CZ 3.82Å; H173-F584 AromaticContact CG-CE1 3.9Å; H173-F584 AromaticContact CG-CZ 3.85Å
174	P	94.2	Very high	92.3	Very high	45 Å²	45	41.4 Å²	41.4	29%	0.292	23%	0.232	S	C	.	.			trans	-63.9	131.1	176.7	28.5	-35.6	0	0	0	110.9	S176 Y177 F420	P174-S176 PolarHBondContact O-N 2.93Å; P174-Y177 HydrophobicContact CG-CD1 4.17Å; P174-F420 HydrophobicContact CB-CD1 4.47Å; P174-F420 HydrophobicContact CG-CD1 3.7Å; P174-F420 HydrophobicContact CG-CD2 4.24Å; P174-F420 HydrophobicContact CG-CE1 3.81Å; P174-F420 HydrophobicContact CG-CE2 4.36Å; P174-F420 HydrophobicContact CG-CG 3.92Å; P174-F420 HydrophobicContact CG-CZ 4.14Å
175	D	90.6	Very high	92.6	Very high	163 Å²	163	46.5 Å²	46.5	87%	0.872	25%	0.251	S	S	*	.	S	Bend	trans	-58.5	-34.2	178.1	-67.5	-28.4	0	0	0	112.5	H173	H173-D175 PolarHBondContact O-N 3.38Å
176	S	89.8	Confident	93.4	Very high	109 Å²	109	45.7 Å²	45.7	76%	0.762	25%	0.245	S	C	*	.			trans	-148.5	140.3	179.9	-70.2	0	0	0	0	110.4	P174	P174-S176 PolarHBondContact O-N 2.93Å
177	Y	90	Very high	93.7	Very high	107 Å²	107	45.4 Å²	45.4	42%	0.42	24%	0.244	S	C	.	.			trans	-150.7	154.5	176.7	64	-84	0	0	0	110.1	P174 R365 F420	P174-Y177 HydrophobicContact CG-CD1 4.17Å; Y177-R365 VanDerWaalsContact CE1-NH1 3.29Å; Y177-R365 PolarHBondContact OH-NH1 3.31Å; Y177-F420 HydrophobicContact CD1-CZ 4.24Å; Y177-F420 HydrophobicContact CD2-CE1 4.49Å; Y177-F420 AromaticContact CD2-CZ 3.74Å; Y177-F420 HydrophobicContact CD2-CZ 3.74Å; Y177-F420 HydrophobicContact CE2-CZ 4.41Å; Y177-F420 HydrophobicContact CG-CE1 4.11Å; Y177-F420 AromaticContact CG-CZ 3.67Å; Y177-F420 HydrophobicContact CG-CZ 3.67Å
178	C	88.7	Confident	93.9	Very high	78 Å²	78	49.4 Å²	49.4	53%	0.527	27%	0.272	S	S	.	.			trans	-77.9	130	171.1	-66.9	0	0	0	0	109.2	L283	C178-L283 HydrophobicContact CB-CD1 4.33Å
179	P	90.3	Very high	94	Very high	36 Å²	36	53.1 Å²	53.1	23%	0.234	29%	0.292	C	S	.	.			trans	-63.4	140.2	178.8	26.5	-33.7	0	0	0	111.1	L181 P369	P179-L181 HydrophobicContact CB-CD1 4.43Å; P179-L181 HydrophobicContact CB-CD2 4.13Å; P179-L181 HydrophobicContact CB-CG 4.02Å; P179-L181 HydrophobicContact CG-CD1 3.87Å; P179-L181 HydrophobicContact CG-CD2 4.4Å; P179-L181 HydrophobicContact CG-CG 3.99Å; P179-L181 PolarHBondContact O-N 3.02Å; P179-P369 HydrophobicContact CG-CG 4.49Å
180	D	93.1	Very high	94.1	Very high	46 Å²	46	53.1 Å²	53.1	25%	0.246	29%	0.292	C	S	.	.			trans	-79.1	85.5	177.3	-175.8	16.4	0	0	0	110.5	R182 Y385	D180-R182 VanDerWaalsContact CG-NE 3.34Å; D180-R182 VanDerWaalsContact OD1-CD 3.22Å; D180-R182 WeakPolarHBondContact OD1-CD 3.43Å; D180-R182 IonicContact OD1-CZ 3.59Å; D180-R182 IonicContact OD1-NE 3.23Å; D180-R182 PolarHBondContact OD1-NE 2.9Å; D180-R182 IonicContact OD1-NH2 2.66Å; D180-R182 IonicContact OD2-CZ 3.27Å; D180-R182 IonicContact OD2-NE 3.52Å; D180-R182 PolarHBondContact OD2-NE 3.27Å; D180-R182 VanDerWaalsContact OD2-NE 3.14Å; D180-R182 IonicContact OD2-NH2 3.31Å; D180-R182 PolarHBondContact OD2-NH2 3.2Å; D180-Y385 WeakPolarHBondContact O-CE1 3.18Å
181	L	95.7	Very high	94.2	Very high	5 Å²	5	54.4 Å²	54.4	3%	0.026	30%	0.3	C	S	.	.			trans	-94.8	-16.3	-173.2	-62.3	173.4	0	0	0	114.1	P179 L183 W212 L213 A281 L368 Y385	P179-L181 HydrophobicContact CB-CD1 4.43Å; P179-L181 HydrophobicContact CB-CD2 4.13Å; P179-L181 HydrophobicContact CB-CG 4.02Å; P179-L181 HydrophobicContact CG-CD1 3.87Å; P179-L181 HydrophobicContact CG-CD2 4.4Å; P179-L181 HydrophobicContact CG-CG 3.99Å; P179-L181 PolarHBondContact O-N 3.02Å; L181-L183 VanDerWaalsContact C-N 3.25Å; L181-L183 HydrophobicContact CB-CG 4.29Å; L181-L183 PolarHBondContact O-N 3.25Å; L181-W212 HydrophobicContact CD1-CH2 3.53Å; L181-W212 HydrophobicContact CD1-CZ2 4.34Å; L181-W212 HydrophobicContact CD1-CZ3 4.35Å; L181-L213 HydrophobicContact CB-CD1 4.17Å; L181-L213 HydrophobicContact CD1-CD1 3.86Å; L181-L213 HydrophobicContact CD2-CD1 4.05Å; L181-L213 HydrophobicContact CD2-CD2 4.07Å; L181-L213 HydrophobicContact CG-CD1 4.25Å; L181-A281 HydrophobicContact CD1-CB 3.6Å; L181-L368 HydrophobicContact CD2-CD2 3.62Å; L181-Y385 PolarHBondContact O-OH 3.42Å
182	R	95.9	Very high	94.3	Very high	18 Å²	18	59.1 Å²	59.1	7%	0.068	32%	0.32	C	S	.	.			trans	52.6	32.9	178.7	-57.4	-61.6	178.8	102.1	5.6	115.6	D180 D184 R185 P186 F187 T285 L362 V364	D180-R182 VanDerWaalsContact CG-NE 3.34Å; D180-R182 VanDerWaalsContact OD1-CD 3.22Å; D180-R182 WeakPolarHBondContact OD1-CD 3.43Å; D180-R182 IonicContact OD1-CZ 3.59Å; D180-R182 IonicContact OD1-NE 3.23Å; D180-R182 PolarHBondContact OD1-NE 2.9Å; D180-R182 IonicContact OD1-NH2 2.66Å; D180-R182 IonicContact OD2-CZ 3.27Å; D180-R182 IonicContact OD2-NE 3.52Å; D180-R182 PolarHBondContact OD2-NE 3.27Å; D180-R182 VanDerWaalsContact OD2-NE 3.14Å; D180-R182 IonicContact OD2-NH2 3.31Å; D180-R182 PolarHBondContact OD2-NH2 3.2Å; R182-D184 PolarHBondContact O-N 3.11Å; R182-R185 CarbonylContact O-C 3.57Å; R182-R185 PolarHBondContact O-N 3.19Å; R182-P186 VanDerWaalsContact O-CA 3.26Å; R182-P186 WeakPolarHBondContact O-CA 3.44Å; R182-F187 HydrophobicContact CB-CE1 4.15Å; R182-F187 HydrophobicContact CB-CE2 4.47Å; R182-F187 HydrophobicContact CB-CZ 3.88Å; R182-F187 HydrophobicContact CG-CE1 3.83Å; R182-F187 HydrophobicContact CG-CE2 4.41Å; R182-F187 HydrophobicContact CG-CZ 3.49Å; R182-F187 VanDerWaalsContact CG-CZ 3.49Å; R182-T285 WeakPolarHBondContact CD-OG1 3.39Å; R182-L362 PolarHBondContact NH2-O 3.22Å; R182-V364 HydrophobicContact CG-CG2 4.26Å
183	L	96.3	Very high	94.3	Very high	2 Å²	2	58.9 Å²	58.9	1%	0.01	32%	0.317	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-21.7	178.6	-66.8	-172	0	0	0	113.5	L181 F190 L213 V216 Y217 L220 A281	L181-L183 VanDerWaalsContact C-N 3.25Å; L181-L183 HydrophobicContact CB-CG 4.29Å; L181-L183 PolarHBondContact O-N 3.25Å; L183-F190 HydrophobicContact CD2-CE1 3.87Å; L183-F190 HydrophobicContact CD2-CZ 4.14Å; L183-L213 HydrophobicContact CD1-CD1 3.93Å; L183-L213 HydrophobicContact CD2-CD1 3.77Å; L183-L213 HydrophobicContact CD2-CG 4.29Å; L183-L213 HydrophobicContact CG-CD1 4.05Å; L183-V216 HydrophobicContact CD1-CB 4.35Å; L183-V216 HydrophobicContact CD1-CG1 3.64Å; L183-Y217 HydrophobicContact CD2-CD2 4.09Å; L183-Y217 HydrophobicContact CD2-CG 4.47Å; L183-L220 HydrophobicContact CB-CD2 3.85Å; L183-A281 HydrophobicContact CD1-CB 4.1Å
184	D	95.1	Very high	94.4	Very high	37 Å²	37	56 Å²	56	20%	0.198	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.8	-24.2	171.6	67.1	-44.9	0	0	0	113.1	R182 F230 T285	R182-D184 PolarHBondContact O-N 3.11Å; D184-F230 VanDerWaalsContact CA-CE2 3.42Å; D184-F230 HydrophobicContact CB-CD2 3.96Å; D184-F230 HydrophobicContact CB-CE1 4.33Å; D184-F230 HydrophobicContact CB-CE2 3.52Å; D184-F230 HydrophobicContact CB-CZ 3.73Å; D184-T285 PolarHBondContact OD1-OG1 2.89Å; D184-T285 WeakPolarHBondContact OD2-CB 3.35Å; D184-T285 PolarHBondContact OD2-N 2.93Å; D184-T285 PolarHBondContact OD2-OG1 3.02Å
185	R	94.2	Very high	94.5	Very high	113 Å²	113	59.4 Å²	59.4	43%	0.426	32%	0.32	S	S	.	.	S	Bend	trans	-141.4	67.4	-179.1	-61.3	-176.4	-170.8	-169.3	0.1	110.3	R182 E359 Q361	R182-R185 CarbonylContact O-C 3.57Å; R182-R185 PolarHBondContact O-N 3.19Å; R185-E359 PolarHBondContact NH1-O 2.91Å; R185-E359 VanDerWaalsContact NH1-O 3.15Å; R185-Q361 VanDerWaalsContact CZ-NE2 3.32Å; R185-Q361 VanDerWaalsContact NH1-NE2 3.16Å
186	P	95.7	Very high	94.7	Very high	42 Å²	42	57.7 Å²	57.7	27%	0.273	31%	0.307	S	S	.	.			trans	-66.2	144.6	-169.6	30.4	-39.5	0	0	0	111.7	R182 F190 V191 Y217	R182-P186 VanDerWaalsContact O-CA 3.26Å; R182-P186 WeakPolarHBondContact O-CA 3.44Å; P186-F190 HydrophobicContact CB-CD1 3.9Å; P186-F190 HydrophobicContact CB-CE1 4.45Å; P186-V191 HydrophobicContact CB-CG2 3.65Å; P186-V191 HydrophobicContact CG-CG2 3.67Å; P186-Y217 HydrophobicContact CB-CE2 3.84Å; P186-Y217 HydrophobicContact CG-CE2 3.79Å
187	F	95.1	Very high	94.7	Very high	24 Å²	24	54.3 Å²	54.3	11%	0.105	28%	0.279	C	S	.	.			trans	-68.8	146.5	174.1	-44.8	-53.5	0	0	0	111	R182 D189 F190 V191 V364 I384 Y385 R388	R182-F187 HydrophobicContact CB-CE1 4.15Å; R182-F187 HydrophobicContact CB-CE2 4.47Å; R182-F187 HydrophobicContact CB-CZ 3.88Å; R182-F187 HydrophobicContact CG-CE1 3.83Å; R182-F187 HydrophobicContact CG-CE2 4.41Å; R182-F187 HydrophobicContact CG-CZ 3.49Å; R182-F187 VanDerWaalsContact CG-CZ 3.49Å; F187-D189 PolarHBondContact O-N 3.47Å; F187-F190 HydrophobicContact CB-CB 4.35Å; F187-F190 WeakPolarHBondContact O-CB 3.44Å; F187-F190 PolarHBondContact O-N 3.46Å; F187-V191 WeakPolarHBondContact O-CG2 3.45Å; F187-V191 PolarHBondContact O-N 3.26Å; F187-V364 HydrophobicContact CE1-CG2 3.75Å; F187-V364 HydrophobicContact CE2-CG2 4.48Å; F187-V364 HydrophobicContact CZ-CB 4.27Å; F187-V364 HydrophobicContact CZ-CG1 4.06Å; F187-V364 HydrophobicContact CZ-CG2 3.37Å; F187-I384 HydrophobicContact CB-CG2 4.43Å; F187-I384 HydrophobicContact CD2-CG2 3.97Å; F187-Y385 AromaticContact CE2-CD1 3.83Å; F187-Y385 HydrophobicContact CE2-CD1 3.83Å; F187-Y385 AromaticContact CE2-CE1 3.66Å; F187-Y385 HydrophobicContact CE2-CE1 3.66Å; F187-Y385 HydrophobicContact CE2-CE2 4.39Å; F187-Y385 HydrophobicContact CE2-CG 4.25Å; F187-Y385 AromaticContact CE2-CZ 3.97Å; F187-Y385 HydrophobicContact CZ-CE1 4.35Å; F187-R388 HydrophobicContact CD1-CG 4.1Å; F187-R388 HydrophobicContact CE1-CG 3.79Å; F187-R388 HydrophobicContact CE2-CG 4.48Å; F187-R388 HydrophobicContact CZ-CG 4.01Å
188	S	96.1	Very high	94.9	Very high	89 Å²	89	51.3 Å²	51.3	62%	0.622	27%	0.272	S	S	*	.	H	α-helix	trans	-53.1	-42	178.8	51.3	0	0	0	0	113	V191 K192	S188-V191 PolarHBondContact O-N 3.05Å; S188-K192 WeakPolarHBondContact O-CB 3.34Å; S188-K192 PolarHBondContact O-N 3.3Å
189	D	96.4	Very high	95.2	Very high	83 Å²	83	47.8 Å²	47.8	44%	0.444	25%	0.248	S	C	.	.	H	α-helix	trans	-71.8	-31.6	-179	-60	-42	0	0	0	112.3	F187 M193 I384	F187-D189 PolarHBondContact O-N 3.47Å; D189-M193 WeakPolarHBondContact O-CB 3.02Å; D189-M193 PolarHBondContact O-N 3.13Å; D189-I384 HydrophobicContact CB-CD1 4.39Å; D189-I384 HydrophobicContact CB-CG1 4.14Å; D189-I384 HydrophobicContact CB-CG2 4.16Å
190	F	97.6	Very high	95.4	Very high	1 Å²	1	49.3 Å²	49.3	0%	0.004	25%	0.252	C	S	.	.	H	α-helix	trans	-67.3	-46.8	171.7	174.4	-113.3	0	0	0	111	L183 P186 F187 K192 M193 V194 L213 I214 Y217 L381 I384	L183-F190 HydrophobicContact CD2-CE1 3.87Å; L183-F190 HydrophobicContact CD2-CZ 4.14Å; P186-F190 HydrophobicContact CB-CD1 3.9Å; P186-F190 HydrophobicContact CB-CE1 4.45Å; F187-F190 HydrophobicContact CB-CB 4.35Å; F187-F190 WeakPolarHBondContact O-CB 3.44Å; F187-F190 PolarHBondContact O-N 3.46Å; F190-K192 VanDerWaalsContact C-N 3.29Å; F190-K192 PolarHBondContact O-N 3.17Å; F190-M193 WeakPolarHBondContact O-CB 3.49Å; F190-M193 PolarHBondContact O-N 3.28Å; F190-V194 HydrophobicContact CD2-CG2 4.34Å; F190-V194 HydrophobicContact CE1-CG2 4.28Å; F190-V194 HydrophobicContact CE2-CG2 3.92Å; F190-V194 HydrophobicContact CZ-CG2 3.89Å; F190-V194 WeakPolarHBondContact O-CG2 3.44Å; F190-V194 PolarHBondContact O-N 2.82Å; F190-L213 HydrophobicContact CE2-CD2 4.38Å; F190-L213 HydrophobicContact CE2-CG 4.39Å; F190-L213 HydrophobicContact CZ-CG 4.2Å; F190-I214 HydrophobicContact CE2-CG1 4.31Å; F190-Y217 HydrophobicContact CE1-CD1 4Å; F190-Y217 AromaticContact CE1-CD2 3.73Å; F190-Y217 HydrophobicContact CE1-CD2 3.73Å; F190-Y217 HydrophobicContact CE1-CE1 4.49Å; F190-Y217 HydrophobicContact CE1-CE2 4.25Å; F190-Y217 AromaticContact CE1-CG 3.58Å; F190-Y217 HydrophobicContact CE1-CG 3.58Å; F190-Y217 HydrophobicContact CZ-CD1 4.36Å; F190-Y217 AromaticContact CZ-CG 3.99Å; F190-Y217 HydrophobicContact CZ-CG 3.99Å; F190-L381 HydrophobicContact CD2-CD1 3.41Å; F190-L381 VanDerWaalsContact CD2-CD1 3.41Å; F190-L381 HydrophobicContact CE2-CD1 3.5Å; F190-L381 VanDerWaalsContact CE2-CD1 3.5Å; F190-I384 HydrophobicContact CB-CG2 4.28Å
191	V	97.8	Very high	95.3	Very high	36 Å²	36	54.4 Å²	54.4	22%	0.218	28%	0.275	C	S	.	.	H	α-helix	trans	-59.3	-43.2	176	179.4	0	0	0	0	110.9	P186 F187 S188 V194 N195 Y217	P186-V191 HydrophobicContact CB-CG2 3.65Å; P186-V191 HydrophobicContact CG-CG2 3.67Å; F187-V191 WeakPolarHBondContact O-CG2 3.45Å; F187-V191 PolarHBondContact O-N 3.26Å; S188-V191 PolarHBondContact O-N 3.05Å; V191-V194 PolarHBondContact O-N 3.33Å; V191-N195 WeakPolarHBondContact O-CB 3.46Å; V191-N195 VanDerWaalsContact O-CG 3.23Å; V191-N195 PolarHBondContact O-N 3.43Å; V191-N195 PolarHBondContact O-ND2 2.89Å; V191-Y217 WeakPolarHBondContact CG2-OH 3.45Å
192	K	97.5	Very high	95.2	Very high	122 Å²	122	54.9 Å²	54.9	53%	0.53	28%	0.277	S	S	.	.	H	α-helix	trans	-59.6	-48	176	-178	-179.9	172.1	-175.3	0	111.6	S188 F190 V194 N195 E196	S188-K192 WeakPolarHBondContact O-CB 3.34Å; S188-K192 PolarHBondContact O-N 3.3Å; F190-K192 VanDerWaalsContact C-N 3.29Å; F190-K192 PolarHBondContact O-N 3.17Å; K192-V194 VanDerWaalsContact C-N 3.31Å; K192-V194 PolarHBondContact O-N 3.45Å; K192-N195 PolarHBondContact O-N 3.23Å; K192-E196 WeakPolarHBondContact CE-OE1 3.14Å; K192-E196 WeakPolarHBondContact O-CG 3.24Å; K192-E196 PolarHBondContact O-N 2.86Å
193	M	96	Very high	95.1	Very high	12 Å²	12	55.8 Å²	55.8	6%	0.059	29%	0.286	C	S	.	.	H	α-helix	trans	-57.7	-42.8	177.7	-179.8	-173.4	173.9	0	0	112	D189 F190 Q197 I214 R377 Q380 L381 I384	D189-M193 WeakPolarHBondContact O-CB 3.02Å; D189-M193 PolarHBondContact O-N 3.13Å; F190-M193 WeakPolarHBondContact O-CB 3.49Å; F190-M193 PolarHBondContact O-N 3.28Å; M193-Q197 WeakPolarHBondContact O-CG 3.26Å; M193-I214 HydrophobicContact CE-CD1 3.84Å; M193-R377 HydrophobicContact CE-CB 4.12Å; M193-R377 HydrophobicContact CE-CG 4.22Å; M193-R377 WeakPolarHBondContact CE-O 3.34Å; M193-Q380 HydrophobicContact CE-CB 4.05Å; M193-Q380 HydrophobicContact SD-CB 4.3Å; M193-L381 HydrophobicContact CE-CB 4.28Å; M193-L381 HydrophobicContact SD-CB 4.3Å; M193-L381 HydrophobicContact SD-CD1 4.27Å; M193-I384 HydrophobicContact CB-CD1 4.18Å; M193-I384 HydrophobicContact SD-CD1 3.87Å
194	V	96.7	Very high	94.8	Very high	8 Å²	8	56.9 Å²	56.9	5%	0.048	29%	0.294	C	S	.	.	H	α-helix	trans	-64.7	-45.9	177.3	174.1	0	0	0	0	110.9	F190 V191 K192 E196 Q197 I214 Y217 V218	F190-V194 HydrophobicContact CD2-CG2 4.34Å; F190-V194 HydrophobicContact CE1-CG2 4.28Å; F190-V194 HydrophobicContact CE2-CG2 3.92Å; F190-V194 HydrophobicContact CZ-CG2 3.89Å; F190-V194 WeakPolarHBondContact O-CG2 3.44Å; F190-V194 PolarHBondContact O-N 2.82Å; V191-V194 PolarHBondContact O-N 3.33Å; K192-V194 VanDerWaalsContact C-N 3.31Å; K192-V194 PolarHBondContact O-N 3.45Å; V194-E196 VanDerWaalsContact C-N 3.28Å; V194-E196 PolarHBondContact O-N 2.8Å; V194-Q197 CarbonylContact O-C 3.54Å; V194-Q197 PolarHBondContact O-N 3.05Å; V194-I214 HydrophobicContact CG1-CG2 4.34Å; V194-I214 HydrophobicContact CG2-CG1 4.26Å; V194-I214 HydrophobicContact CG2-CG2 4.18Å; V194-Y217 HydrophobicContact CB-CD1 4.12Å; V194-Y217 HydrophobicContact CB-CE1 4.2Å; V194-Y217 HydrophobicContact CG1-CD1 3.82Å; V194-Y217 HydrophobicContact CG1-CE1 4.05Å; V194-Y217 HydrophobicContact CG2-CD1 3.72Å; V194-Y217 HydrophobicContact CG2-CE1 4.15Å; V194-V218 HydrophobicContact CG1-CG2 3.65Å
195	N	95.8	Very high	94.6	Very high	117 Å²	117	61.7 Å²	61.7	63%	0.626	32%	0.315	S	S	*	.	H	α-helix	trans	-66.9	-28.5	-176.4	-70.4	-17	0	0	0	113.2	V191 K192 Q197	V191-N195 WeakPolarHBondContact O-CB 3.46Å; V191-N195 VanDerWaalsContact O-CG 3.23Å; V191-N195 PolarHBondContact O-N 3.43Å; V191-N195 PolarHBondContact O-ND2 2.89Å; K192-N195 PolarHBondContact O-N 3.23Å; N195-Q197 PolarHBondContact O-N 3.48Å
196	E	94.6	Very high	94.6	Very high	126 Å²	126	61.1 Å²	61.1	59%	0.589	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.5	-6.5	174.2	-71.4	173.7	177.6	0	0	113	K192 V194	K192-E196 WeakPolarHBondContact CE-OE1 3.14Å; K192-E196 WeakPolarHBondContact O-CG 3.24Å; K192-E196 PolarHBondContact O-N 2.86Å; V194-E196 VanDerWaalsContact C-N 3.28Å; V194-E196 PolarHBondContact O-N 2.8Å
197	Q	89.9	Confident	94.6	Very high	38 Å²	38	59.1 Å²	59.1	18%	0.178	30%	0.304	C	S	.	.	S	Bend	trans	-131.7	65.4	-172.3	-65.9	-172.7	-1.1	0	0	111.4	M193 V194 N195 L199 M202	M193-Q197 WeakPolarHBondContact O-CG 3.26Å; V194-Q197 CarbonylContact O-C 3.54Å; V194-Q197 PolarHBondContact O-N 3.05Å; N195-Q197 PolarHBondContact O-N 3.48Å; Q197-L199 PolarHBondContact O-N 3.17Å; Q197-M202 HydrophobicContact CB-CE 3.61Å; Q197-M202 VanDerWaalsContact O-CE 3.26Å; Q197-M202 WeakPolarHBondContact O-CE 3.41Å
198	P	94.5	Very high	94.5	Very high	44 Å²	44	58.8 Å²	58.8	29%	0.286	31%	0.305	S	S	.	.			trans	-63	122.8	177.5	25	-31.8	0	0	0	110.9	E200 E201	P198-E200 PolarHBondContact O-N 3.16Å; P198-E201 HydrophobicContact CB-CG 4.19Å; P198-E201 HydrophobicContact CG-CB 3.99Å; P198-E201 VanDerWaalsContact CG-CD 3.5Å; P198-E201 HydrophobicContact CG-CG 3.83Å; P198-E201 WeakPolarHBondContact CG-OE2 3.3Å; P198-E201 PolarHBondContact O-N 2.91Å; P198-E201 VanDerWaalsContact O-N 3.1Å
199	L	95.4	Very high	94.5	Very high	4 Å²	4	58.2 Å²	58.2	2%	0.021	29%	0.292	C	S	.	.	G	3₁₀ helix	trans	-59.6	-32.8	-176.2	-59.5	-176.9	0	0	0	111.8	Q197 E201 M202 L207 T210 I214 V218 F219 L251 F271	Q197-L199 PolarHBondContact O-N 3.17Å; L199-E201 VanDerWaalsContact C-N 3.26Å; L199-E201 PolarHBondContact O-N 3.21Å; L199-M202 HydrophobicContact CD2-CE 3.94Å; L199-M202 HydrophobicContact CD2-SD 4.13Å; L199-L207 HydrophobicContact CB-CD1 4.3Å; L199-L207 HydrophobicContact CD2-CD1 4.4Å; L199-T210 HydrophobicContact CD2-CG2 3.96Å; L199-I214 HydrophobicContact CD2-CG2 4.46Å; L199-V218 HydrophobicContact CD1-CB 4.13Å; L199-V218 HydrophobicContact CD1-CG1 3.95Å; L199-V218 HydrophobicContact CD1-CG2 4.17Å; L199-V218 HydrophobicContact CG-CG2 4.4Å; L199-F219 HydrophobicContact CD1-CE2 4.25Å; L199-L251 HydrophobicContact CB-CD1 4.04Å; L199-L251 HydrophobicContact CB-CD2 4.3Å; L199-L251 HydrophobicContact CD1-CD1 4.36Å; L199-F271 HydrophobicContact CD1-CZ 4.46Å
200	E	93.1	Very high	94.5	Very high	68 Å²	68	54.2 Å²	54.2	32%	0.318	27%	0.271	S	S	.	.	G	3₁₀ helix	trans	-70.2	-17	-178.7	-62.9	77.6	-175.3	0	0	113.3	P198 K222 L251 R258	P198-E200 PolarHBondContact O-N 3.16Å; E200-K222 IonicContact OE1-NZ 2.72Å; E200-K222 PolarHBondContact OE1-NZ 2.62Å; E200-L251 HydrophobicContact CB-CD2 4.25Å; E200-L251 HydrophobicContact CG-CD2 3.82Å; E200-R258 PolarHBondContact O-NH1 2.91Å; E200-R258 PolarHBondContact O-NH2 2.87Å
201	E	92.5	Very high	94.5	Very high	153 Å²	153	54.2 Å²	54.2	72%	0.715	27%	0.271	S	S	*	.	G	3₁₀ helix	trans	-106.5	-6.7	-177.5	-55.8	-178.5	178.7	0	0	113.4	P198 L199	P198-E201 HydrophobicContact CB-CG 4.19Å; P198-E201 HydrophobicContact CG-CB 3.99Å; P198-E201 VanDerWaalsContact CG-CD 3.5Å; P198-E201 HydrophobicContact CG-CG 3.83Å; P198-E201 WeakPolarHBondContact CG-OE2 3.3Å; P198-E201 PolarHBondContact O-N 2.91Å; P198-E201 VanDerWaalsContact O-N 3.1Å; L199-E201 VanDerWaalsContact C-N 3.26Å; L199-E201 PolarHBondContact O-N 3.21Å
202	M	93.2	Very high	94.5	Very high	15 Å²	15	53 Å²	53	7%	0.074	26%	0.262	C	S	.	.			trans	-67.7	152	-178.8	-69.6	-174	-176.9	0	0	112.5	Q197 L199 Q206 L207 T210 L255	Q197-M202 HydrophobicContact CB-CE 3.61Å; Q197-M202 VanDerWaalsContact O-CE 3.26Å; Q197-M202 WeakPolarHBondContact O-CE 3.41Å; L199-M202 HydrophobicContact CD2-CE 3.94Å; L199-M202 HydrophobicContact CD2-SD 4.13Å; M202-Q206 HydrophobicContact CB-CB 3.91Å; M202-Q206 HydrophobicContact CG-CB 4.2Å; M202-Q206 HydrophobicContact SD-CB 4.32Å; M202-L207 HydrophobicContact CB-CB 4.34Å; M202-L207 HydrophobicContact SD-CD1 4.31Å; M202-T210 PolarHBondContact SD-OG1 2.74Å; M202-L255 VanDerWaalsContact O-CD2 3.25Å; M202-L255 WeakPolarHBondContact O-CD2 3.41Å
203	S	92.9	Very high	94.5	Very high	38 Å²	38	47.2 Å²	47.2	27%	0.266	24%	0.237	S	C	.	.			trans	-71.7	167.6	163.4	70.3	0	0	0	0	111.5	E205 Q206 L207 E259	S203-E205 PolarHBondContact O-N 2.81Å; S203-Q206 PolarHBondContact O-N 3.38Å; S203-Q206 WeakPolarHBondContact OG-CG 3.48Å; S203-Q206 PolarHBondContact OG-N 3.27Å; S203-Q206 PolarHBondContact OG-OE1 3.19Å; S203-L207 WeakPolarHBondContact O-CB 3.03Å; S203-L207 PolarHBondContact O-N 2.94Å; S203-E259 WeakPolarHBondContact CA-OE1 3.25Å; S203-E259 WeakPolarHBondContact CB-OE1 3.31Å
204	S	91.3	Very high	94.6	Very high	24 Å²	24	46.6 Å²	46.6	17%	0.168	23%	0.234	C	C	.	.	H	α-helix	trans	-56.1	-46.6	175.3	55.2	0	0	0	0	113.4	Q206 L207 C208 E259 L262	S204-Q206 VanDerWaalsContact C-N 3.33Å; S204-Q206 PolarHBondContact O-N 3.43Å; S204-L207 PolarHBondContact O-N 2.82Å; S204-C208 PolarHBondContact O-N 3.39Å; S204-C208 VanDerWaalsContact O-N 3.08Å; S204-C208 PolarHBondContact O-SG 2.89Å; S204-E259 WeakPolarHBondContact CB-OE2 3.46Å; S204-E259 PolarHBondContact N-OE1 2.91Å; S204-E259 PolarHBondContact OG-OE2 3.16Å; S204-L262 VanDerWaalsContact CB-CD2 3.48Å; S204-L262 WeakPolarHBondContact OG-CD2 3.48Å
205	E	90.4	Very high	94.6	Very high	139 Å²	139	46.2 Å²	46.2	65%	0.65	23%	0.232	S	C	*	.	H	α-helix	trans	-62.3	-39.1	177.7	-174.7	-177.4	179.9	0	0	112	S203 C208 H209	S203-E205 PolarHBondContact O-N 2.81Å; E205-C208 PolarHBondContact O-SG 2.98Å; E205-H209 PolarHBondContact O-ND1 3.48Å
206	Q	94.2	Very high	94.7	Very high	100 Å²	100	40.7 Å²	40.7	47%	0.467	20%	0.202	S	C	.	.	H	α-helix	trans	-69.7	-43.5	176	-71.9	173.6	-30.7	0	0	110.9	M202 S203 S204 C208 H209 T210 R377	M202-Q206 HydrophobicContact CB-CB 3.91Å; M202-Q206 HydrophobicContact CG-CB 4.2Å; M202-Q206 HydrophobicContact SD-CB 4.32Å; S203-Q206 PolarHBondContact O-N 3.38Å; S203-Q206 WeakPolarHBondContact OG-CG 3.48Å; S203-Q206 PolarHBondContact OG-N 3.27Å; S203-Q206 PolarHBondContact OG-OE1 3.19Å; S204-Q206 VanDerWaalsContact C-N 3.33Å; S204-Q206 PolarHBondContact O-N 3.43Å; Q206-C208 PolarHBondContact O-N 3.38Å; Q206-H209 PolarHBondContact O-N 3.01Å; Q206-T210 PolarHBondContact O-N 2.99Å; Q206-T210 PolarHBondContact O-OG1 2.77Å; Q206-R377 VanDerWaalsContact O-CZ 3.29Å; Q206-R377 PolarHBondContact O-NH1 3.43Å; Q206-R377 PolarHBondContact O-NH2 3.31Å
207	L	95.1	Very high	94.9	Very high	1 Å²	1	35.4 Å²	35.4	1%	0.005	18%	0.177	C	C	.	.	H	α-helix	trans	-64.2	-45.7	-175.9	-171.2	67	0	0	0	111.7	L199 M202 S203 S204 H209 T210 L251 L255 L268 N270 F271	L199-L207 HydrophobicContact CB-CD1 4.3Å; L199-L207 HydrophobicContact CD2-CD1 4.4Å; M202-L207 HydrophobicContact CB-CB 4.34Å; M202-L207 HydrophobicContact SD-CD1 4.31Å; S203-L207 WeakPolarHBondContact O-CB 3.03Å; S203-L207 PolarHBondContact O-N 2.94Å; S204-L207 PolarHBondContact O-N 2.82Å; L207-H209 VanDerWaalsContact C-N 3.25Å; L207-H209 PolarHBondContact O-N 2.92Å; L207-T210 WeakPolarHBondContact O-CB 3.32Å; L207-T210 PolarHBondContact O-N 3.33Å; L207-T210 PolarHBondContact O-OG1 3.27Å; L207-L251 HydrophobicContact CD1-CD1 4.34Å; L207-L251 HydrophobicContact CD2-CB 3.95Å; L207-L255 HydrophobicContact CB-CD1 4.16Å; L207-L255 HydrophobicContact CD2-CD1 3.42Å; L207-L255 VanDerWaalsContact CD2-CD1 3.42Å; L207-L255 HydrophobicContact CG-CD1 4.43Å; L207-L268 HydrophobicContact CD2-CD1 3.86Å; L207-L268 HydrophobicContact CD2-CD2 4.23Å; L207-L268 HydrophobicContact CG-CD1 4.46Å; L207-L268 HydrophobicContact CG-CD2 4.28Å; L207-N270 PolarHBondContact O-ND2 3.26Å; L207-F271 HydrophobicContact CD1-CE2 3.96Å; L207-F271 HydrophobicContact CD1-CZ 4.03Å; L207-F271 HydrophobicContact CG-CE2 4.09Å
208	C	94.1	Very high	95.3	Very high	17 Å²	17	34.6 Å²	34.6	12%	0.115	18%	0.175	C	C	.	.	H	α-helix	trans	-68.2	-22.1	-177.9	67	0	0	0	0	114	S204 E205 Q206 F266 L268 N270	S204-C208 PolarHBondContact O-N 3.39Å; S204-C208 VanDerWaalsContact O-N 3.08Å; S204-C208 PolarHBondContact O-SG 2.89Å; E205-C208 PolarHBondContact O-SG 2.98Å; Q206-C208 PolarHBondContact O-N 3.38Å; C208-F266 HydrophobicContact CB-CE1 3.8Å; C208-F266 HydrophobicContact CB-CZ 3.87Å; C208-L268 HydrophobicContact CB-CD2 3.99Å; C208-N270 PolarHBondContact O-ND2 3.3Å; C208-N270 PolarHBondContact O-OD1 2.89Å
209	H	95.8	Very high	95.4	Very high	76 Å²	76	32.8 Å²	32.8	35%	0.352	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.8	17.6	176.5	-62.3	111.5	0	0	0	113.2	E205 Q206 L207 P211 S373 D374 R377	E205-H209 PolarHBondContact O-ND1 3.48Å; Q206-H209 PolarHBondContact O-N 3.01Å; L207-H209 VanDerWaalsContact C-N 3.25Å; L207-H209 PolarHBondContact O-N 2.92Å; H209-P211 WeakPolarHBondContact O-CD 3.44Å; H209-S373 CarbonylContact O-C 3.43Å; H209-S373 WeakPolarHBondContact O-CA 3.36Å; H209-D374 HydrophobicContact CB-CB 4.02Å; H209-D374 PolarHBondContact O-N 3.25Å; H209-D374 VanDerWaalsContact O-N 3.07Å; H209-R377 PolarHBondContact O-NH2 3.28Å
210	T	96.9	Very high	95.6	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	16%	0.161	C	C	.	.	S	Bend	trans	-75	125.5	176.1	-51.8	0	0	0	0	110.1	L199 M202 Q206 L207 W212 I214 I215 N270 R377	L199-T210 HydrophobicContact CD2-CG2 3.96Å; M202-T210 PolarHBondContact SD-OG1 2.74Å; Q206-T210 PolarHBondContact O-N 2.99Å; Q206-T210 PolarHBondContact O-OG1 2.77Å; L207-T210 WeakPolarHBondContact O-CB 3.32Å; L207-T210 PolarHBondContact O-N 3.33Å; L207-T210 PolarHBondContact O-OG1 3.27Å; T210-W212 PolarHBondContact O-N 3.31Å; T210-I214 HydrophobicContact CG2-CB 4.1Å; T210-I214 HydrophobicContact CG2-CD1 4.49Å; T210-I214 HydrophobicContact CG2-CG2 4.04Å; T210-I215 HydrophobicContact CG2-CG1 4.15Å; T210-N270 PolarHBondContact N-ND2 2.97Å; T210-N270 PolarHBondContact O-ND2 2.79Å; T210-R377 PolarHBondContact OG1-NH1 3.11Å
211	P	97.5	Very high	95.8	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	16%	0.162	C	C	.	.			trans	-47.8	129.9	172.8	-28.5	33.1	0	0	0	112.4	H209 L213 I214 I215 M371 R377 L381	H209-P211 WeakPolarHBondContact O-CD 3.44Å; P211-L213 PolarHBondContact O-N 3.44Å; P211-I214 HydrophobicContact CB-CD1 4.26Å; P211-I214 HydrophobicContact CB-CG1 4.29Å; P211-I214 HydrophobicContact CG-CD1 4.05Å; P211-I214 WeakPolarHBondContact O-CB 3.23Å; P211-I214 PolarHBondContact O-N 2.97Å; P211-I215 PolarHBondContact O-N 3.18Å; P211-M371 HydrophobicContact CB-SD 3.66Å; P211-R377 HydrophobicContact CG-CB 3.91Å; P211-L381 HydrophobicContact CB-CD2 4.14Å
212	W	97.4	Very high	96.1	Very high	11 Å²	11	29.2 Å²	29.2	4%	0.042	14%	0.144	C	C	.	.	H	α-helix	trans	-57.3	-28.4	-179.7	72.9	-110.3	0	0	0	112.3	L181 T210 I214 I215 V216 E273 A274 A277 A281 P369 M371	L181-W212 HydrophobicContact CD1-CH2 3.53Å; L181-W212 HydrophobicContact CD1-CZ2 4.34Å; L181-W212 HydrophobicContact CD1-CZ3 4.35Å; T210-W212 PolarHBondContact O-N 3.31Å; W212-I214 VanDerWaalsContact C-N 3.32Å; W212-I214 PolarHBondContact O-N 2.91Å; W212-I215 WeakPolarHBondContact O-CB 3.42Å; W212-I215 PolarHBondContact O-N 2.73Å; W212-I215 VanDerWaalsContact O-N 3.16Å; W212-V216 HydrophobicContact CE3-CB 4.26Å; W212-V216 HydrophobicContact CE3-CG2 3.59Å; W212-V216 HydrophobicContact CZ3-CB 4.34Å; W212-V216 HydrophobicContact CZ3-CG2 3.92Å; W212-V216 WeakPolarHBondContact O-CG2 3.35Å; W212-V216 PolarHBondContact O-N 3.43Å; W212-E273 HydrophobicContact CB-CB 4.38Å; W212-E273 HydrophobicContact CB-CG 4.4Å; W212-E273 VanDerWaalsContact CD1-OE1 3.26Å; W212-E273 HydrophobicContact CG-CG 4.17Å; W212-A274 HydrophobicContact CB-CB 3.91Å; W212-A277 HydrophobicContact CD2-CB 3.79Å; W212-A277 HydrophobicContact CE3-CB 3.47Å; W212-A277 VanDerWaalsContact CE3-CB 3.47Å; W212-A277 HydrophobicContact CH2-CB 3.63Å; W212-A277 HydrophobicContact CZ2-CB 3.9Å; W212-A277 HydrophobicContact CZ3-CB 3.42Å; W212-A277 VanDerWaalsContact CZ3-CB 3.42Å; W212-A281 HydrophobicContact CH2-CB 3.64Å; W212-A281 HydrophobicContact CZ3-CB 3.55Å; W212-P369 HydrophobicContact CZ2-CG 4.07Å; W212-M371 HydrophobicContact CG-CB 4.35Å
213	L	97.6	Very high	96.3	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-61.9	-38.9	178.7	-170.1	62.4	0	0	0	112.6	L181 L183 F190 P211 Y217 L368 M371 L381 Y385	L181-L213 HydrophobicContact CB-CD1 4.17Å; L181-L213 HydrophobicContact CD1-CD1 3.86Å; L181-L213 HydrophobicContact CD2-CD1 4.05Å; L181-L213 HydrophobicContact CD2-CD2 4.07Å; L181-L213 HydrophobicContact CG-CD1 4.25Å; L183-L213 HydrophobicContact CD1-CD1 3.93Å; L183-L213 HydrophobicContact CD2-CD1 3.77Å; L183-L213 HydrophobicContact CD2-CG 4.29Å; L183-L213 HydrophobicContact CG-CD1 4.05Å; F190-L213 HydrophobicContact CE2-CD2 4.38Å; F190-L213 HydrophobicContact CE2-CG 4.39Å; F190-L213 HydrophobicContact CZ-CG 4.2Å; P211-L213 PolarHBondContact O-N 3.44Å; L213-Y217 WeakPolarHBondContact O-CB 3.43Å; L213-Y217 PolarHBondContact O-N 3.25Å; L213-L368 HydrophobicContact CD2-CD2 4.26Å; L213-M371 HydrophobicContact CB-SD 4.44Å; L213-L381 HydrophobicContact CB-CD2 4.12Å; L213-L381 HydrophobicContact CD2-CD1 4.2Å; L213-L381 HydrophobicContact CD2-CD2 3.83Å; L213-L381 HydrophobicContact CD2-CG 4.36Å; L213-Y385 HydrophobicContact CD2-CE2 4.21Å
214	I	97.3	Very high	96.5	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-65.7	-44.6	175.2	-66.1	176.8	0	0	0	109.5	F190 M193 V194 L199 T210 P211 W212 Y217 V218	F190-I214 HydrophobicContact CE2-CG1 4.31Å; M193-I214 HydrophobicContact CE-CD1 3.84Å; V194-I214 HydrophobicContact CG1-CG2 4.34Å; V194-I214 HydrophobicContact CG2-CG1 4.26Å; V194-I214 HydrophobicContact CG2-CG2 4.18Å; L199-I214 HydrophobicContact CD2-CG2 4.46Å; T210-I214 HydrophobicContact CG2-CB 4.1Å; T210-I214 HydrophobicContact CG2-CD1 4.49Å; T210-I214 HydrophobicContact CG2-CG2 4.04Å; P211-I214 HydrophobicContact CB-CD1 4.26Å; P211-I214 HydrophobicContact CB-CG1 4.29Å; P211-I214 HydrophobicContact CG-CD1 4.05Å; P211-I214 WeakPolarHBondContact O-CB 3.23Å; P211-I214 PolarHBondContact O-N 2.97Å; W212-I214 VanDerWaalsContact C-N 3.32Å; W212-I214 PolarHBondContact O-N 2.91Å; I214-Y217 PolarHBondContact O-N 3.39Å; I214-V218 HydrophobicContact CG2-CG2 4.43Å; I214-V218 WeakPolarHBondContact O-CG2 3.08Å; I214-V218 PolarHBondContact O-N 3.06Å
215	I	97.8	Very high	96.8	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-58.7	-54.2	178.2	-62.4	168.2	0	0	0	109.8	T210 P211 W212 Y217 V218 F219 I244 N270 F271 A274	T210-I215 HydrophobicContact CG2-CG1 4.15Å; P211-I215 PolarHBondContact O-N 3.18Å; W212-I215 WeakPolarHBondContact O-CB 3.42Å; W212-I215 PolarHBondContact O-N 2.73Å; W212-I215 VanDerWaalsContact O-N 3.16Å; I215-Y217 VanDerWaalsContact C-N 3.27Å; I215-Y217 PolarHBondContact O-N 3.35Å; I215-V218 PolarHBondContact O-N 3.13Å; I215-F219 HydrophobicContact CG2-CD2 3.89Å; I215-F219 HydrophobicContact CG2-CE2 3.97Å; I215-F219 VanDerWaalsContact O-CD2 3.28Å; I215-F219 WeakPolarHBondContact O-CD2 3.43Å; I215-F219 PolarHBondContact O-N 3.46Å; I215-F219 VanDerWaalsContact O-N 3.11Å; I215-I244 HydrophobicContact CG2-CG2 4.02Å; I215-N270 HydrophobicContact CD1-CB 4.27Å; I215-N270 WeakPolarHBondContact CD1-ND2 3.47Å; I215-F271 HydrophobicContact CD1-CD1 4.43Å; I215-F271 HydrophobicContact CD1-CD2 3.51Å; I215-F271 HydrophobicContact CD1-CE1 4.44Å; I215-F271 HydrophobicContact CD1-CE2 3.51Å; I215-F271 HydrophobicContact CD1-CG 4Å; I215-F271 HydrophobicContact CD1-CZ 4Å; I215-F271 HydrophobicContact CG1-CD2 4.48Å; I215-F271 HydrophobicContact CG1-CE2 4.13Å; I215-F271 HydrophobicContact CG1-CZ 4.14Å; I215-F271 HydrophobicContact CG2-CD1 3.77Å; I215-F271 HydrophobicContact CG2-CE1 3.76Å; I215-F271 HydrophobicContact CG2-CG 4.28Å; I215-F271 HydrophobicContact CG2-CZ 4.24Å; I215-A274 HydrophobicContact CB-CB 4.02Å; I215-A274 HydrophobicContact CG2-CB 3.73Å
216	V	98	Very high	97.2	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-56.7	-43.6	179.3	173.9	0	0	0	0	110.7	L183 W212 F219 L220 I244 A274 V278 V282	L183-V216 HydrophobicContact CD1-CB 4.35Å; L183-V216 HydrophobicContact CD1-CG1 3.64Å; W212-V216 HydrophobicContact CE3-CB 4.26Å; W212-V216 HydrophobicContact CE3-CG2 3.59Å; W212-V216 HydrophobicContact CZ3-CB 4.34Å; W212-V216 HydrophobicContact CZ3-CG2 3.92Å; W212-V216 WeakPolarHBondContact O-CG2 3.35Å; W212-V216 PolarHBondContact O-N 3.43Å; V216-F219 PolarHBondContact O-N 3.05Å; V216-L220 WeakPolarHBondContact O-CB 3.49Å; V216-L220 PolarHBondContact O-N 3.44Å; V216-I244 HydrophobicContact CG2-CD1 4.27Å; V216-A274 HydrophobicContact CG2-CB 3.8Å; V216-A274 WeakPolarHBondContact CG2-O 3.27Å; V216-V278 HydrophobicContact CG2-CG2 4.34Å; V216-V282 HydrophobicContact CG1-CG2 3.7Å
217	Y	98.1	Very high	97.3	Very high	15 Å²	15	30.2 Å²	30.2	6%	0.059	16%	0.157	C	C	.	.	H	α-helix	trans	-62.9	-45	178.4	178.8	-102.3	0	0	0	112.9	L183 P186 F190 V191 V194 L213 I214 I215 F219 L220 Q221	L183-Y217 HydrophobicContact CD2-CD2 4.09Å; L183-Y217 HydrophobicContact CD2-CG 4.47Å; P186-Y217 HydrophobicContact CB-CE2 3.84Å; P186-Y217 HydrophobicContact CG-CE2 3.79Å; F190-Y217 HydrophobicContact CE1-CD1 4Å; F190-Y217 AromaticContact CE1-CD2 3.73Å; F190-Y217 HydrophobicContact CE1-CD2 3.73Å; F190-Y217 HydrophobicContact CE1-CE1 4.49Å; F190-Y217 HydrophobicContact CE1-CE2 4.25Å; F190-Y217 AromaticContact CE1-CG 3.58Å; F190-Y217 HydrophobicContact CE1-CG 3.58Å; F190-Y217 HydrophobicContact CZ-CD1 4.36Å; F190-Y217 AromaticContact CZ-CG 3.99Å; F190-Y217 HydrophobicContact CZ-CG 3.99Å; V191-Y217 WeakPolarHBondContact CG2-OH 3.45Å; V194-Y217 HydrophobicContact CB-CD1 4.12Å; V194-Y217 HydrophobicContact CB-CE1 4.2Å; V194-Y217 HydrophobicContact CG1-CD1 3.82Å; V194-Y217 HydrophobicContact CG1-CE1 4.05Å; V194-Y217 HydrophobicContact CG2-CD1 3.72Å; V194-Y217 HydrophobicContact CG2-CE1 4.15Å; L213-Y217 WeakPolarHBondContact O-CB 3.43Å; L213-Y217 PolarHBondContact O-N 3.25Å; I214-Y217 PolarHBondContact O-N 3.39Å; I215-Y217 VanDerWaalsContact C-N 3.27Å; I215-Y217 PolarHBondContact O-N 3.35Å; Y217-F219 PolarHBondContact O-N 3.05Å; Y217-L220 WeakPolarHBondContact O-CB 3.36Å; Y217-L220 PolarHBondContact O-N 3.29Å; Y217-Q221 HydrophobicContact CD1-CG 4.31Å; Y217-Q221 HydrophobicContact CD2-CG 4.37Å; Y217-Q221 HydrophobicContact CE1-CG 3.84Å; Y217-Q221 HydrophobicContact CE2-CG 3.91Å; Y217-Q221 WeakPolarHBondContact O-CG 3.34Å; Y217-Q221 PolarHBondContact O-N 3.45Å
218	V	97.8	Very high	97.4	Very high	22 Å²	22	33.3 Å²	33.3	13%	0.133	19%	0.189	C	C	.	.	H	α-helix	trans	-58.9	-47.8	178.4	168.8	0	0	0	0	111.2	V194 L199 I214 I215 Q221 K222	V194-V218 HydrophobicContact CG1-CG2 3.65Å; L199-V218 HydrophobicContact CD1-CB 4.13Å; L199-V218 HydrophobicContact CD1-CG1 3.95Å; L199-V218 HydrophobicContact CD1-CG2 4.17Å; L199-V218 HydrophobicContact CG-CG2 4.4Å; I214-V218 HydrophobicContact CG2-CG2 4.43Å; I214-V218 WeakPolarHBondContact O-CG2 3.08Å; I214-V218 PolarHBondContact O-N 3.06Å; I215-V218 PolarHBondContact O-N 3.13Å; V218-Q221 PolarHBondContact O-N 3.46Å; V218-K222 WeakPolarHBondContact O-CG 3.35Å; V218-K222 PolarHBondContact O-N 2.95Å; V218-K222 VanDerWaalsContact O-N 3.08Å
219	F	98.2	Very high	97.5	Very high	6 Å²	6	34.8 Å²	34.8	3%	0.026	19%	0.194	C	C	.	.	H	α-helix	trans	-73.6	-30.2	179.9	-73.2	-81.5	0	0	0	112.9	L199 I215 V216 Y217 K222 F223 M243 I244 F271	L199-F219 HydrophobicContact CD1-CE2 4.25Å; I215-F219 HydrophobicContact CG2-CD2 3.89Å; I215-F219 HydrophobicContact CG2-CE2 3.97Å; I215-F219 VanDerWaalsContact O-CD2 3.28Å; I215-F219 WeakPolarHBondContact O-CD2 3.43Å; I215-F219 PolarHBondContact O-N 3.46Å; I215-F219 VanDerWaalsContact O-N 3.11Å; V216-F219 PolarHBondContact O-N 3.05Å; Y217-F219 PolarHBondContact O-N 3.05Å; F219-K222 HydrophobicContact CD1-CD 4.1Å; F219-K222 HydrophobicContact CE1-CD 4.29Å; F219-K222 PolarHBondContact O-N 3.21Å; F219-F223 PolarHBondContact O-N 3.28Å; F219-M243 HydrophobicContact CD1-CB 4.02Å; F219-M243 VanDerWaalsContact CE1-O 3.23Å; F219-M243 WeakPolarHBondContact CE1-O 2.96Å; F219-I244 HydrophobicContact CB-CD1 4.41Å; F219-I244 HydrophobicContact CB-CG1 3.58Å; F219-I244 HydrophobicContact CD1-CG1 4.36Å; F219-I244 HydrophobicContact CD2-CB 4.32Å; F219-I244 HydrophobicContact CD2-CG1 3.65Å; F219-I244 HydrophobicContact CE2-CG1 4.48Å; F219-I244 HydrophobicContact CG-CB 4.39Å; F219-I244 HydrophobicContact CG-CG1 3.59Å; F219-F271 AromaticContact CE2-CE1 3.86Å; F219-F271 HydrophobicContact CE2-CE1 3.86Å; F219-F271 HydrophobicContact CZ-CE1 4.32Å
220	L	98.1	Very high	97.6	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-62.5	-41.8	169.7	174.5	64.2	0	0	0	111.4	L183 V216 Y217 F223 I224 F230 P231 I240 V282	L183-L220 HydrophobicContact CB-CD2 3.85Å; V216-L220 WeakPolarHBondContact O-CB 3.49Å; V216-L220 PolarHBondContact O-N 3.44Å; Y217-L220 WeakPolarHBondContact O-CB 3.36Å; Y217-L220 PolarHBondContact O-N 3.29Å; L220-F223 WeakPolarHBondContact O-CB 3.49Å; L220-F223 PolarHBondContact O-N 3.49Å; L220-I224 HydrophobicContact CD1-CD1 4.06Å; L220-I224 HydrophobicContact CD1-CG1 4.31Å; L220-I224 HydrophobicContact CG-CD1 3.94Å; L220-I224 VanDerWaalsContact O-CG1 3.3Å; L220-I224 WeakPolarHBondContact O-CG1 3.41Å; L220-I224 PolarHBondContact O-N 2.83Å; L220-F230 HydrophobicContact CD1-CD2 4.25Å; L220-F230 HydrophobicContact CD1-CE2 4.02Å; L220-F230 HydrophobicContact CD2-CE2 3.79Å; L220-F230 HydrophobicContact CG-CE2 4.43Å; L220-P231 HydrophobicContact CD1-CG 3.69Å; L220-I240 HydrophobicContact CD1-CD1 3.86Å; L220-V282 HydrophobicContact CD1-CG1 3.96Å
221	Q	97.7	Very high	97.5	Very high	70 Å²	70	33.5 Å²	33.5	33%	0.327	19%	0.188	S	C	.	.	H	α-helix	trans	-64.8	-38.9	174.3	-68.4	-55.3	-48.3	0	0	111.9	Y217 V218 F223 I224 S225	Y217-Q221 HydrophobicContact CD1-CG 4.31Å; Y217-Q221 HydrophobicContact CD2-CG 4.37Å; Y217-Q221 HydrophobicContact CE1-CG 3.84Å; Y217-Q221 HydrophobicContact CE2-CG 3.91Å; Y217-Q221 WeakPolarHBondContact O-CG 3.34Å; Y217-Q221 PolarHBondContact O-N 3.45Å; V218-Q221 PolarHBondContact O-N 3.46Å; Q221-F223 VanDerWaalsContact C-N 3.3Å; Q221-F223 PolarHBondContact O-N 3.47Å; Q221-I224 PolarHBondContact O-N 2.73Å; Q221-S225 WeakPolarHBondContact O-CB 3.42Å; Q221-S225 PolarHBondContact O-N 2.88Å; Q221-S225 PolarHBondContact O-OG 3Å
222	K	97.7	Very high	97.3	Very high	79 Å²	79	42.7 Å²	42.7	34%	0.343	22%	0.223	S	C	.	.	H	α-helix	trans	-61.4	-37.6	172	-69.3	178.8	-179.1	-179.8	0	111.8	E200 V218 F219 S225 L226 M243	E200-K222 IonicContact OE1-NZ 2.72Å; E200-K222 PolarHBondContact OE1-NZ 2.62Å; V218-K222 WeakPolarHBondContact O-CG 3.35Å; V218-K222 PolarHBondContact O-N 2.95Å; V218-K222 VanDerWaalsContact O-N 3.08Å; F219-K222 HydrophobicContact CD1-CD 4.1Å; F219-K222 HydrophobicContact CE1-CD 4.29Å; F219-K222 PolarHBondContact O-N 3.21Å; K222-S225 PolarHBondContact O-OG 3.31Å; K222-L226 WeakPolarHBondContact O-CB 3.44Å; K222-L226 PolarHBondContact O-N 2.86Å; K222-M243 HydrophobicContact CB-CE 3.58Å
223	F	98.4	Very high	97.2	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-67.2	-47.2	174.8	175.7	-83.2	0	0	0	111.5	F219 L220 Q221 S225 L226 H227 H229 P231 E236 E239 I240 M243	F219-F223 PolarHBondContact O-N 3.28Å; L220-F223 WeakPolarHBondContact O-CB 3.49Å; L220-F223 PolarHBondContact O-N 3.49Å; Q221-F223 VanDerWaalsContact C-N 3.3Å; Q221-F223 PolarHBondContact O-N 3.47Å; F223-S225 VanDerWaalsContact C-N 3.29Å; F223-S225 PolarHBondContact O-N 3.12Å; F223-L226 PolarHBondContact O-N 2.78Å; F223-L226 VanDerWaalsContact O-N 3.13Å; F223-H227 AromaticContact CD2-CD2 3.51Å; F223-H227 AromaticContact CD2-NE2 3.98Å; F223-H227 HydrophobicContact CE1-CB 4.17Å; F223-H227 AromaticContact CE2-CD2 3.25Å; F223-H227 WeakPolarHBondContact CE2-CD2 3.23Å; F223-H227 AromaticContact CE2-NE2 3.61Å; F223-H227 HydrophobicContact CZ-CB 4.2Å; F223-H227 AromaticContact CZ-CD2 3.53Å; F223-H227 AromaticContact CZ-CG 3.96Å; F223-H227 PolarHBondContact O-N 3.41Å; F223-H229 WeakPolarHBondContact CE1-O 3.43Å; F223-P231 HydrophobicContact CD1-CG 3.69Å; F223-P231 HydrophobicContact CE1-CB 4.24Å; F223-P231 HydrophobicContact CE1-CG 3.62Å; F223-P231 HydrophobicContact CG-CG 4.39Å; F223-P231 HydrophobicContact CZ-CG 4.25Å; F223-E236 HydrophobicContact CE2-CB 4.01Å; F223-E236 HydrophobicContact CE2-CG 4.26Å; F223-E236 HydrophobicContact CZ-CB 3.72Å; F223-E236 HydrophobicContact CZ-CG 3.82Å; F223-E239 HydrophobicContact CE2-CB 4.47Å; F223-I240 HydrophobicContact CB-CD1 4.08Å; F223-I240 HydrophobicContact CB-CG1 3.8Å; F223-I240 HydrophobicContact CD1-CD1 4.29Å; F223-I240 HydrophobicContact CD2-CD1 4.18Å; F223-I240 HydrophobicContact CD2-CG1 3.7Å; F223-I240 HydrophobicContact CE2-CG1 4.48Å; F223-I240 HydrophobicContact CG-CD1 3.91Å; F223-I240 HydrophobicContact CG-CG1 3.78Å; F223-M243 HydrophobicContact CB-CE 4.34Å; F223-M243 HydrophobicContact CB-SD 4.07Å; F223-M243 HydrophobicContact CD2-SD 4.26Å
224	I	97.8	Very high	97.1	Very high	44 Å²	44	51.9 Å²	51.9	23%	0.226	27%	0.268	C	S	.	.	H	α-helix	trans	-62.9	-37.5	-179.6	-68.2	165.9	0	0	0	110.7	L220 Q221 L226 G228 F230	L220-I224 HydrophobicContact CD1-CD1 4.06Å; L220-I224 HydrophobicContact CD1-CG1 4.31Å; L220-I224 HydrophobicContact CG-CD1 3.94Å; L220-I224 VanDerWaalsContact O-CG1 3.3Å; L220-I224 WeakPolarHBondContact O-CG1 3.41Å; L220-I224 PolarHBondContact O-N 2.83Å; Q221-I224 PolarHBondContact O-N 2.73Å; I224-L226 VanDerWaalsContact C-N 3.32Å; I224-L226 PolarHBondContact O-N 2.91Å; I224-G228 WeakPolarHBondContact O-CA 3.33Å; I224-G228 PolarHBondContact O-N 3.31Å; I224-F230 HydrophobicContact CD1-CD2 4.2Å
225	S	97.8	Very high	97	Very high	100 Å²	100	60.1 Å²	60.1	70%	0.699	30%	0.304	S	S	*	.	H	α-helix	trans	-68.6	-30.6	176.3	67.3	0	0	0	0	113.1	Q221 K222 F223	Q221-S225 WeakPolarHBondContact O-CB 3.42Å; Q221-S225 PolarHBondContact O-N 2.88Å; Q221-S225 PolarHBondContact O-OG 3Å; K222-S225 PolarHBondContact O-OG 3.31Å; F223-S225 VanDerWaalsContact C-N 3.29Å; F223-S225 PolarHBondContact O-N 3.12Å
226	L	97.8	Very high	97	Very high	116 Å²	116	61.7 Å²	61.7	61%	0.607	31%	0.311	S	S	*	.	H	α-helix	trans	-76.8	-44.4	177.4	-177.3	63.6	0	0	0	112.8	K222 F223 I224	K222-L226 WeakPolarHBondContact O-CB 3.44Å; K222-L226 PolarHBondContact O-N 2.86Å; F223-L226 PolarHBondContact O-N 2.78Å; F223-L226 VanDerWaalsContact O-N 3.13Å; I224-L226 VanDerWaalsContact C-N 3.32Å; I224-L226 PolarHBondContact O-N 2.91Å
227	H	97.3	Very high	97	Very high	77 Å²	77	62.9 Å²	62.9	36%	0.356	32%	0.317	S	S	.	.	H	α-helix	trans	-103.5	-14.9	-171.7	-67	-76.8	0	0	0	114.3	F223 H229 E239	F223-H227 AromaticContact CD2-CD2 3.51Å; F223-H227 AromaticContact CD2-NE2 3.98Å; F223-H227 HydrophobicContact CE1-CB 4.17Å; F223-H227 AromaticContact CE2-CD2 3.25Å; F223-H227 WeakPolarHBondContact CE2-CD2 3.23Å; F223-H227 AromaticContact CE2-NE2 3.61Å; F223-H227 HydrophobicContact CZ-CB 4.2Å; F223-H227 AromaticContact CZ-CD2 3.53Å; F223-H227 AromaticContact CZ-CG 3.96Å; F223-H227 PolarHBondContact O-N 3.41Å; H227-H229 VanDerWaalsContact C-N 3.29Å; H227-H229 PolarHBondContact O-CD2 3.01Å; H227-H229 VanDerWaalsContact O-CD2 3.32Å; H227-H229 PolarHBondContact O-N 2.95Å; H227-E239 IonicContact CD2-OE1 2.69Å; H227-E239 IonicContact CE1-OE1 3.18Å; H227-E239 IonicContact CE1-OE2 3.42Å; H227-E239 VanDerWaalsContact NE2-CD 3.34Å; H227-E239 IonicContact NE2-OE1 3.85Å; H227-E239 PolarHBondContact NE2-OE1 3.09Å; H227-E239 IonicContact NE2-OE2 3.71Å; H227-E239 PolarHBondContact NE2-OE2 2.68Å
228	G	96.9	Very high	97	Very high	66 Å²	66	64.3 Å²	64.3	68%	0.68	33%	0.332	S	S	*	.	S	Bend	trans	75.1	9.8	179.6	0	0	0	0	0	115.1	I224	I224-G228 WeakPolarHBondContact O-CA 3.33Å; I224-G228 PolarHBondContact O-N 3.31Å
229	H	96.4	Very high	97	Very high	49 Å²	49	66.2 Å²	66.2	23%	0.227	34%	0.339	C	S	.	.	S	Bend	trans	-149.7	162.2	177.8	65	79.9	0	0	0	113.2	F223 H227 E236	F223-H229 WeakPolarHBondContact CE1-O 3.43Å; H227-H229 VanDerWaalsContact C-N 3.29Å; H227-H229 PolarHBondContact O-CD2 3.01Å; H227-H229 VanDerWaalsContact O-CD2 3.32Å; H227-H229 PolarHBondContact O-N 2.95Å; H229-E236 IonicContact CE1-OE1 3.93Å; H229-E236 IonicContact CE1-OE2 2.8Å; H229-E236 PolarHBondContact CE1-OE2 3.2Å; H229-E236 IonicContact ND1-OE2 2.61Å
230	F	96.5	Very high	97	Very high	44 Å²	44	65.9 Å²	65.9	19%	0.193	34%	0.337	C	S	.	.			trans	-69.2	145.6	171.8	-166.7	-93.1	0	0	0	111.1	D184 L220 I224 R232 V282 P284	D184-F230 VanDerWaalsContact CA-CE2 3.42Å; D184-F230 HydrophobicContact CB-CD2 3.96Å; D184-F230 HydrophobicContact CB-CE1 4.33Å; D184-F230 HydrophobicContact CB-CE2 3.52Å; D184-F230 HydrophobicContact CB-CZ 3.73Å; L220-F230 HydrophobicContact CD1-CD2 4.25Å; L220-F230 HydrophobicContact CD1-CE2 4.02Å; L220-F230 HydrophobicContact CD2-CE2 3.79Å; L220-F230 HydrophobicContact CG-CE2 4.43Å; I224-F230 HydrophobicContact CD1-CD2 4.2Å; F230-R232 WeakPolarHBondContact O-CG 3.28Å; F230-V282 HydrophobicContact CE1-CG1 3.85Å; F230-V282 HydrophobicContact CE2-CG1 4.31Å; F230-V282 HydrophobicContact CZ-CG1 3.57Å; F230-P284 HydrophobicContact CE1-CG 4.44Å
231	P	96.4	Very high	97	Very high	5 Å²	5	68.3 Å²	68.3	3%	0.032	35%	0.348	C	S	.	.			trans	-58.6	134.2	179.7	-25.8	34.1	0	0	0	114	L220 F223 E236 K237 I240 V282	L220-P231 HydrophobicContact CD1-CG 3.69Å; F223-P231 HydrophobicContact CD1-CG 3.69Å; F223-P231 HydrophobicContact CE1-CB 4.24Å; F223-P231 HydrophobicContact CE1-CG 3.62Å; F223-P231 HydrophobicContact CG-CG 4.39Å; F223-P231 HydrophobicContact CZ-CG 4.25Å; P231-E236 VanDerWaalsContact CA-OE2 3.29Å; P231-E236 WeakPolarHBondContact CA-OE2 3.23Å; P231-E236 HydrophobicContact CB-CB 4.18Å; P231-K237 HydrophobicContact CB-CG 4.49Å; P231-I240 HydrophobicContact CB-CD1 4.13Å; P231-I240 HydrophobicContact CG-CD1 3.22Å; P231-V282 HydrophobicContact CB-CG1 4.03Å; P231-V282 HydrophobicContact CG-CG1 3.77Å
232	R	93	Very high	97	Very high	192 Å²	192	68.3 Å²	68.3	73%	0.725	35%	0.35	S	S	*	.			trans	-113.7	-27.3	-172.3	-59.9	-178.9	-179	174.4	0.4	114.4	F230 E236	F230-R232 WeakPolarHBondContact O-CG 3.28Å; R232-E236 PolarHBondContact N-OE2 3.31Å
233	N	94.8	Very high	97.1	Very high	70 Å²	70	66.2 Å²	66.2	37%	0.374	34%	0.342	S	S	.	.	S	Bend	trans	-137.5	170.8	-170.5	60.4	54.6	0	0	0	111.9	K235 E236 K237	N233-K235 PolarHBondContact O-N 2.88Å; N233-K235 WeakPolarHBondContact OD1-CA 3.41Å; N233-K235 WeakPolarHBondContact OD1-CB 3.27Å; N233-K235 PolarHBondContact OD1-N 3.16Å; N233-K235 VanDerWaalsContact OD1-N 3.07Å; N233-E236 PolarHBondContact ND2-OE1 3.28Å; N233-E236 PolarHBondContact O-N 3.45Å; N233-E236 WeakPolarHBondContact OD1-CG 3.45Å; N233-E236 PolarHBondContact OD1-N 2.84Å; N233-K237 PolarHBondContact O-N 2.99Å; N233-K237 VanDerWaalsContact O-N 3.1Å
234	H	94.7	Very high	97.1	Very high	134 Å²	134	66.2 Å²	66.2	62%	0.62	34%	0.342	S	S	*	.	H	α-helix	trans	-63.5	-28.2	-178.1	-164.4	-81	0	0	0	113	A238	H234-A238 WeakPolarHBondContact O-CB 3.48Å; H234-A238 PolarHBondContact O-N 3.15Å
235	K	96.9	Very high	97	Very high	174 Å²	174	66.9 Å²	66.9	76%	0.757	35%	0.351	S	S	*	.	H	α-helix	trans	-68.9	-46.3	178.4	-176.6	-176.5	175.5	-174.6	0	111.2	N233 A238 E239	N233-K235 PolarHBondContact O-N 2.88Å; N233-K235 WeakPolarHBondContact OD1-CA 3.41Å; N233-K235 WeakPolarHBondContact OD1-CB 3.27Å; N233-K235 PolarHBondContact OD1-N 3.16Å; N233-K235 VanDerWaalsContact OD1-N 3.07Å; K235-A238 WeakPolarHBondContact O-CB 3.29Å; K235-A238 PolarHBondContact O-N 3Å; K235-A238 VanDerWaalsContact O-N 3.17Å; K235-E239 PolarHBondContact O-N 3.05Å
236	E	97.4	Very high	97	Very high	32 Å²	32	68.1 Å²	68.1	15%	0.15	34%	0.344	C	S	.	.	H	α-helix	trans	-66.4	-37.5	176.6	-70.7	166.7	-151.1	0	0	111.8	F223 H229 P231 R232 N233 A238 E239 I240	F223-E236 HydrophobicContact CE2-CB 4.01Å; F223-E236 HydrophobicContact CE2-CG 4.26Å; F223-E236 HydrophobicContact CZ-CB 3.72Å; F223-E236 HydrophobicContact CZ-CG 3.82Å; H229-E236 IonicContact CE1-OE1 3.93Å; H229-E236 IonicContact CE1-OE2 2.8Å; H229-E236 PolarHBondContact CE1-OE2 3.2Å; H229-E236 IonicContact ND1-OE2 2.61Å; P231-E236 VanDerWaalsContact CA-OE2 3.29Å; P231-E236 WeakPolarHBondContact CA-OE2 3.23Å; P231-E236 HydrophobicContact CB-CB 4.18Å; R232-E236 PolarHBondContact N-OE2 3.31Å; N233-E236 PolarHBondContact ND2-OE1 3.28Å; N233-E236 PolarHBondContact O-N 3.45Å; N233-E236 WeakPolarHBondContact OD1-CG 3.45Å; N233-E236 PolarHBondContact OD1-N 2.84Å; E236-A238 VanDerWaalsContact C-N 3.31Å; E236-A238 PolarHBondContact O-N 3.07Å; E236-E239 WeakPolarHBondContact O-CB 3.49Å; E236-E239 PolarHBondContact O-N 3.04Å; E236-I240 PolarHBondContact O-N 3.34Å; E236-I240 VanDerWaalsContact O-N 3.08Å
237	K	97.5	Very high	96.9	Very high	26 Å²	26	63 Å²	63	11%	0.113	32%	0.318	C	S	.	.	H	α-helix	trans	-62	-39.6	170.8	-71.1	-174.1	176.7	-163.8	0	112.1	P231 N233 E239 I240 K241 V278 N279 V282	P231-K237 HydrophobicContact CB-CG 4.49Å; N233-K237 PolarHBondContact O-N 2.99Å; N233-K237 VanDerWaalsContact O-N 3.1Å; K237-E239 VanDerWaalsContact C-N 3.3Å; K237-E239 PolarHBondContact O-N 2.9Å; K237-I240 PolarHBondContact O-N 2.82Å; K237-K241 WeakPolarHBondContact O-CG 3.44Å; K237-K241 PolarHBondContact O-N 3.5Å; K237-K241 VanDerWaalsContact O-N 3.13Å; K237-V278 HydrophobicContact CB-CG1 4.11Å; K237-V278 HydrophobicContact CG-CG1 4.42Å; K237-N279 PolarHBondContact NZ-O 3Å; K237-V282 WeakPolarHBondContact CE-O 3.2Å; K237-V282 PolarHBondContact NZ-O 2.96Å
238	A	97.8	Very high	96.8	Very high	45 Å²	45	60.1 Å²	60.1	37%	0.372	31%	0.308	S	S	.	.	H	α-helix	trans	-64.9	-35.3	175.3	0	0	0	0	0	112	H234 K235 E236 K241 D242	H234-A238 WeakPolarHBondContact O-CB 3.48Å; H234-A238 PolarHBondContact O-N 3.15Å; K235-A238 WeakPolarHBondContact O-CB 3.29Å; K235-A238 PolarHBondContact O-N 3Å; K235-A238 VanDerWaalsContact O-N 3.17Å; E236-A238 VanDerWaalsContact C-N 3.31Å; E236-A238 PolarHBondContact O-N 3.07Å; A238-K241 WeakPolarHBondContact O-CB 3.47Å; A238-K241 PolarHBondContact O-N 3.33Å; A238-D242 PolarHBondContact O-N 3.22Å
239	E	98.1	Very high	96.7	Very high	61 Å²	61	62.1 Å²	62.1	29%	0.285	31%	0.307	S	S	.	.	H	α-helix	trans	-62	-44.9	172.7	-173	177.8	165.7	0	0	111.7	F223 H227 K235 E236 K237 K241 D242 M243	F223-E239 HydrophobicContact CE2-CB 4.47Å; H227-E239 IonicContact CD2-OE1 2.69Å; H227-E239 IonicContact CE1-OE1 3.18Å; H227-E239 IonicContact CE1-OE2 3.42Å; H227-E239 VanDerWaalsContact NE2-CD 3.34Å; H227-E239 IonicContact NE2-OE1 3.85Å; H227-E239 PolarHBondContact NE2-OE1 3.09Å; H227-E239 IonicContact NE2-OE2 3.71Å; H227-E239 PolarHBondContact NE2-OE2 2.68Å; K235-E239 PolarHBondContact O-N 3.05Å; E236-E239 WeakPolarHBondContact O-CB 3.49Å; E236-E239 PolarHBondContact O-N 3.04Å; K237-E239 VanDerWaalsContact C-N 3.3Å; K237-E239 PolarHBondContact O-N 2.9Å; E239-K241 VanDerWaalsContact C-N 3.3Å; E239-K241 PolarHBondContact O-N 2.92Å; E239-D242 WeakPolarHBondContact O-CB 3.48Å; E239-D242 PolarHBondContact O-N 3.14Å; E239-D242 VanDerWaalsContact O-N 3.12Å; E239-M243 HydrophobicContact CG-SD 4.34Å; E239-M243 VanDerWaalsContact O-CG 3.28Å; E239-M243 WeakPolarHBondContact O-CG 3.3Å; E239-M243 PolarHBondContact O-N 3.31Å
240	I	98.3	Very high	96.5	Very high	0 Å²	0	65.5 Å²	65.5	0%	0	32%	0.323	C	S	.	.	H	α-helix	trans	-59.3	-41.7	175	-69.1	171.4	0	0	0	111.5	L220 F223 P231 E236 K237 D242 M243 I244 V278 V282	L220-I240 HydrophobicContact CD1-CD1 3.86Å; F223-I240 HydrophobicContact CB-CD1 4.08Å; F223-I240 HydrophobicContact CB-CG1 3.8Å; F223-I240 HydrophobicContact CD1-CD1 4.29Å; F223-I240 HydrophobicContact CD2-CD1 4.18Å; F223-I240 HydrophobicContact CD2-CG1 3.7Å; F223-I240 HydrophobicContact CE2-CG1 4.48Å; F223-I240 HydrophobicContact CG-CD1 3.91Å; F223-I240 HydrophobicContact CG-CG1 3.78Å; P231-I240 HydrophobicContact CB-CD1 4.13Å; P231-I240 HydrophobicContact CG-CD1 3.22Å; E236-I240 PolarHBondContact O-N 3.34Å; E236-I240 VanDerWaalsContact O-N 3.08Å; K237-I240 PolarHBondContact O-N 2.82Å; I240-D242 VanDerWaalsContact C-N 3.31Å; I240-D242 PolarHBondContact O-N 2.7Å; I240-M243 WeakPolarHBondContact O-CB 3.33Å; I240-M243 PolarHBondContact O-N 3.32Å; I240-I244 HydrophobicContact CG2-CD1 3.91Å; I240-I244 HydrophobicContact CG2-CG1 4.37Å; I240-I244 VanDerWaalsContact O-CG1 3.32Å; I240-I244 WeakPolarHBondContact O-CG1 3.47Å; I240-I244 PolarHBondContact O-N 3.47Å; I240-V278 HydrophobicContact CB-CG1 4.33Å; I240-V278 HydrophobicContact CG2-CG1 4.18Å; I240-V278 HydrophobicContact CG2-CG2 3.95Å; I240-V282 HydrophobicContact CD1-CG1 4.42Å
241	K	98.5	Very high	96.4	Very high	50 Å²	50	63.8 Å²	63.8	22%	0.217	32%	0.316	C	S	.	.	H	α-helix	trans	-61.6	-40.4	176.3	-66.6	-180	-175.4	-170.5	0	112.1	K237 A238 E239 I244 S245 C275 V278 N279	K237-K241 WeakPolarHBondContact O-CG 3.44Å; K237-K241 PolarHBondContact O-N 3.5Å; K237-K241 VanDerWaalsContact O-N 3.13Å; A238-K241 WeakPolarHBondContact O-CB 3.47Å; A238-K241 PolarHBondContact O-N 3.33Å; E239-K241 VanDerWaalsContact C-N 3.3Å; E239-K241 PolarHBondContact O-N 2.92Å; K241-I244 PolarHBondContact O-N 3.06Å; K241-S245 WeakPolarHBondContact O-CB 3.29Å; K241-S245 PolarHBondContact O-N 3.39Å; K241-S245 PolarHBondContact O-OG 3.04Å; K241-C275 WeakPolarHBondContact CD-O 3.35Å; K241-C275 WeakPolarHBondContact CE-O 2.92Å; K241-C275 WeakPolarHBondContact CG-O 3.38Å; K241-C275 PolarHBondContact O-SG 3.48Å; K241-C275 VanDerWaalsContact O-SG 3.39Å; K241-V278 HydrophobicContact CG-CB 3.9Å; K241-V278 HydrophobicContact CG-CG1 4.11Å; K241-V278 HydrophobicContact CG-CG2 3.88Å; K241-N279 VanDerWaalsContact CE-OD1 3.23Å; K241-N279 WeakPolarHBondContact CE-OD1 3.36Å; K241-N279 PolarHBondContact NZ-ND2 2.85Å; K241-N279 PolarHBondContact NZ-OD1 3.43Å
242	D	98.1	Very high	96.1	Very high	70 Å²	70	64.8 Å²	64.8	37%	0.374	32%	0.319	S	S	.	.	H	α-helix	trans	-66	-41.3	174.9	178.7	66.1	0	0	0	111.4	A238 E239 I240 I244 S245 K246	A238-D242 PolarHBondContact O-N 3.22Å; E239-D242 WeakPolarHBondContact O-CB 3.48Å; E239-D242 PolarHBondContact O-N 3.14Å; E239-D242 VanDerWaalsContact O-N 3.12Å; I240-D242 VanDerWaalsContact C-N 3.31Å; I240-D242 PolarHBondContact O-N 2.7Å; D242-I244 PolarHBondContact O-N 3.28Å; D242-S245 PolarHBondContact O-N 3.4Å; D242-K246 WeakPolarHBondContact O-CB 3.19Å; D242-K246 WeakPolarHBondContact O-CG 3.47Å; D242-K246 PolarHBondContact O-N 2.94Å; D242-K246 VanDerWaalsContact OD1-CE 3.22Å; D242-K246 WeakPolarHBondContact OD1-CE 3.3Å; D242-K246 IonicContact OD1-NZ 2.77Å; D242-K246 WeakPolarHBondContact OD2-CD 3.48Å; D242-K246 WeakPolarHBondContact OD2-CE 3.43Å; D242-K246 IonicContact OD2-NZ 3.6Å; D242-K246 PolarHBondContact OD2-NZ 2.89Å
243	M	98.3	Very high	96	Very high	35 Å²	35	58.3 Å²	58.3	17%	0.172	30%	0.303	C	S	.	.	H	α-helix	trans	-60.1	-45	173.9	-66.8	172.4	72.6	0	0	112	F219 K222 F223 E239 I240 G247	F219-M243 HydrophobicContact CD1-CB 4.02Å; F219-M243 VanDerWaalsContact CE1-O 3.23Å; F219-M243 WeakPolarHBondContact CE1-O 2.96Å; K222-M243 HydrophobicContact CB-CE 3.58Å; F223-M243 HydrophobicContact CB-CE 4.34Å; F223-M243 HydrophobicContact CB-SD 4.07Å; F223-M243 HydrophobicContact CD2-SD 4.26Å; E239-M243 HydrophobicContact CG-SD 4.34Å; E239-M243 VanDerWaalsContact O-CG 3.28Å; E239-M243 WeakPolarHBondContact O-CG 3.3Å; E239-M243 PolarHBondContact O-N 3.31Å; I240-M243 WeakPolarHBondContact O-CB 3.33Å; I240-M243 PolarHBondContact O-N 3.32Å; M243-G247 PolarHBondContact O-N 3.22Å
244	I	98.2	Very high	95.7	Very high	0 Å²	0	57.4 Å²	57.4	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-62	-46.5	175.9	-66.9	166.4	0	0	0	110.1	I215 V216 F219 I240 K241 D242 G247 A248 F271 A274 C275 V278	I215-I244 HydrophobicContact CG2-CG2 4.02Å; V216-I244 HydrophobicContact CG2-CD1 4.27Å; F219-I244 HydrophobicContact CB-CD1 4.41Å; F219-I244 HydrophobicContact CB-CG1 3.58Å; F219-I244 HydrophobicContact CD1-CG1 4.36Å; F219-I244 HydrophobicContact CD2-CB 4.32Å; F219-I244 HydrophobicContact CD2-CG1 3.65Å; F219-I244 HydrophobicContact CE2-CG1 4.48Å; F219-I244 HydrophobicContact CG-CB 4.39Å; F219-I244 HydrophobicContact CG-CG1 3.59Å; I240-I244 HydrophobicContact CG2-CD1 3.91Å; I240-I244 HydrophobicContact CG2-CG1 4.37Å; I240-I244 VanDerWaalsContact O-CG1 3.32Å; I240-I244 WeakPolarHBondContact O-CG1 3.47Å; I240-I244 PolarHBondContact O-N 3.47Å; K241-I244 PolarHBondContact O-N 3.06Å; D242-I244 PolarHBondContact O-N 3.28Å; I244-G247 PolarHBondContact O-N 3.19Å; I244-A248 PolarHBondContact O-N 3Å; I244-F271 HydrophobicContact CG2-CB 4.42Å; I244-F271 HydrophobicContact CG2-CD1 3.86Å; I244-A274 HydrophobicContact CD1-CB 4.45Å; I244-A274 HydrophobicContact CG2-CB 4.23Å; I244-C275 WeakPolarHBondContact CG2-SG 3.3Å; I244-V278 HydrophobicContact CD1-CG2 3.57Å
245	S	97.1	Very high	95.5	Very high	59 Å²	59	51.4 Å²	51.4	41%	0.413	27%	0.269	S	S	.	.	H	α-helix	trans	-63.5	-44.8	-178.2	-58.2	0	0	0	0	112	K241 D242 A248 V249 C275	K241-S245 WeakPolarHBondContact O-CB 3.29Å; K241-S245 PolarHBondContact O-N 3.39Å; K241-S245 PolarHBondContact O-OG 3.04Å; D242-S245 PolarHBondContact O-N 3.4Å; S245-A248 WeakPolarHBondContact O-CB 3.33Å; S245-A248 PolarHBondContact O-N 2.85Å; S245-V249 PolarHBondContact O-N 3.31Å; S245-C275 PolarHBondContact OG-SG 3.38Å; S245-C275 VanDerWaalsContact OG-SG 3.36Å
246	K	96.6	Very high	95.1	Very high	126 Å²	126	47.8 Å²	47.8	55%	0.548	25%	0.25	S	S	.	.	H	α-helix	trans	-65.2	-42.5	174.6	-73.1	172.1	176.4	167.4	0	111.6	D242 A248 V249 E250	D242-K246 WeakPolarHBondContact O-CB 3.19Å; D242-K246 WeakPolarHBondContact O-CG 3.47Å; D242-K246 PolarHBondContact O-N 2.94Å; D242-K246 VanDerWaalsContact OD1-CE 3.22Å; D242-K246 WeakPolarHBondContact OD1-CE 3.3Å; D242-K246 IonicContact OD1-NZ 2.77Å; D242-K246 WeakPolarHBondContact OD2-CD 3.48Å; D242-K246 WeakPolarHBondContact OD2-CE 3.43Å; D242-K246 IonicContact OD2-NZ 3.6Å; D242-K246 PolarHBondContact OD2-NZ 2.89Å; K246-A248 VanDerWaalsContact C-N 3.31Å; K246-A248 PolarHBondContact O-N 3.39Å; K246-V249 PolarHBondContact O-N 2.99Å; K246-E250 PolarHBondContact O-N 3.21Å
247	G	96	Very high	94.6	Very high	7 Å²	7	54 Å²	54	7%	0.072	28%	0.277	C	S	.	.	H	α-helix	trans	-60.7	-38.1	176.5	0	0	0	0	0	113	M243 I244 E250 L251	M243-G247 PolarHBondContact O-N 3.22Å; I244-G247 PolarHBondContact O-N 3.19Å; G247-E250 PolarHBondContact O-N 3.27Å; G247-L251 WeakPolarHBondContact O-CB 3.41Å; G247-L251 VanDerWaalsContact O-CG 3.26Å; G247-L251 WeakPolarHBondContact O-CG 3.23Å; G247-L251 PolarHBondContact O-N 2.89Å
248	A	95.5	Very high	94.1	Very high	17 Å²	17	59.3 Å²	59.3	14%	0.14	30%	0.296	C	S	.	.	H	α-helix	trans	-59.6	-46.8	174.1	0	0	0	0	0	111.6	I244 S245 K246 W252 L268 F271	I244-A248 PolarHBondContact O-N 3Å; S245-A248 WeakPolarHBondContact O-CB 3.33Å; S245-A248 PolarHBondContact O-N 2.85Å; K246-A248 VanDerWaalsContact C-N 3.31Å; K246-A248 PolarHBondContact O-N 3.39Å; A248-W252 WeakPolarHBondContact O-CB 3.45Å; A248-W252 PolarHBondContact O-N 3.01Å; A248-L268 HydrophobicContact CB-CD1 4.31Å; A248-F271 HydrophobicContact CB-CB 3.99Å; A248-F271 HydrophobicContact CB-CD1 3.57Å; A248-F271 HydrophobicContact CB-CE1 4.21Å; A248-F271 HydrophobicContact CB-CG 3.86Å
249	V	93.7	Very high	93.6	Very high	108 Å²	108	60 Å²	60	66%	0.655	29%	0.292	S	S	*	.	H	α-helix	trans	-63.7	-42.8	178.4	176.4	0	0	0	0	111.2	S245 K246 S253	S245-V249 PolarHBondContact O-N 3.31Å; K246-V249 PolarHBondContact O-N 2.99Å; V249-S253 WeakPolarHBondContact O-CB 3.24Å; V249-S253 PolarHBondContact O-N 2.96Å
250	E	94	Very high	92.4	Very high	120 Å²	120	64.1 Å²	64.1	56%	0.561	32%	0.316	S	S	*	.	H	α-helix	trans	-65.4	-52.2	179.9	-172.5	179.9	175.5	0	0	111.8	K246 G247 W252 S253 Q254	K246-E250 PolarHBondContact O-N 3.21Å; G247-E250 PolarHBondContact O-N 3.27Å; E250-W252 VanDerWaalsContact C-N 3.27Å; E250-W252 PolarHBondContact O-N 3.33Å; E250-S253 WeakPolarHBondContact O-CB 3.44Å; E250-S253 PolarHBondContact O-N 2.77Å; E250-S253 VanDerWaalsContact O-N 3.15Å; E250-Q254 WeakPolarHBondContact O-CG 3.29Å; E250-Q254 PolarHBondContact O-N 3.26Å; E250-Q254 PolarHBondContact OE1-NE2 3.2Å
251	L	94.4	Very high	91.4	Very high	9 Å²	9	71.8 Å²	71.8	5%	0.047	36%	0.357	C	S	.	.	H	α-helix	trans	-57.7	-41.9	178.2	-72.8	168.4	0	0	0	111.1	L199 E200 L207 G247 Q254 L255 F271	L199-L251 HydrophobicContact CB-CD1 4.04Å; L199-L251 HydrophobicContact CB-CD2 4.3Å; L199-L251 HydrophobicContact CD1-CD1 4.36Å; E200-L251 HydrophobicContact CB-CD2 4.25Å; E200-L251 HydrophobicContact CG-CD2 3.82Å; L207-L251 HydrophobicContact CD1-CD1 4.34Å; L207-L251 HydrophobicContact CD2-CB 3.95Å; G247-L251 WeakPolarHBondContact O-CB 3.41Å; G247-L251 VanDerWaalsContact O-CG 3.26Å; G247-L251 WeakPolarHBondContact O-CG 3.23Å; G247-L251 PolarHBondContact O-N 2.89Å; L251-Q254 PolarHBondContact O-N 2.87Å; L251-L255 PolarHBondContact O-N 3.22Å; L251-F271 HydrophobicContact CD1-CE1 3.95Å; L251-F271 HydrophobicContact CD1-CZ 3.68Å
252	W	90	Very high	90.5	Very high	25 Å²	25	71.4 Å²	71.4	10%	0.095	36%	0.357	C	S	.	.	H	α-helix	trans	-66.1	-39.8	177.5	-169.2	-115.3	0	0	0	113	A248 E250 Q254 L255 R256 L262 F266 L268	A248-W252 WeakPolarHBondContact O-CB 3.45Å; A248-W252 PolarHBondContact O-N 3.01Å; E250-W252 VanDerWaalsContact C-N 3.27Å; E250-W252 PolarHBondContact O-N 3.33Å; W252-Q254 VanDerWaalsContact C-N 3.31Å; W252-Q254 PolarHBondContact O-N 3.41Å; W252-L255 HydrophobicContact CE3-CD1 3.93Å; W252-L255 HydrophobicContact CZ3-CD1 4.21Å; W252-L255 PolarHBondContact O-N 2.83Å; W252-R256 VanDerWaalsContact NE1-CZ 3.27Å; W252-R256 VanDerWaalsContact NE1-NE 3.2Å; W252-R256 WeakPolarHBondContact O-CG 3.46Å; W252-R256 PolarHBondContact O-N 3.47Å; W252-R256 VanDerWaalsContact O-N 3.08Å; W252-L262 HydrophobicContact CH2-CB 4.3Å; W252-L262 HydrophobicContact CH2-CD1 4.25Å; W252-L262 HydrophobicContact CH2-CD2 4.18Å; W252-L262 HydrophobicContact CH2-CG 4.49Å; W252-L262 HydrophobicContact CZ2-CB 4.19Å; W252-F266 HydrophobicContact CH2-CB 3.86Å; W252-F266 AromaticContact CH2-CD1 3.32Å; W252-F266 HydrophobicContact CH2-CD1 3.32Å; W252-F266 HydrophobicContact CH2-CE1 4.16Å; W252-F266 AromaticContact CH2-CG 3.88Å; W252-F266 HydrophobicContact CH2-CG 3.88Å; W252-F266 HydrophobicContact CZ2-CB 3.64Å; W252-F266 AromaticContact CZ2-CD1 3.9Å; W252-F266 HydrophobicContact CZ2-CD1 3.9Å; W252-F266 HydrophobicContact CZ2-CG 4.18Å; W252-F266 AromaticContact CZ3-CD1 3.69Å; W252-F266 HydrophobicContact CZ3-CD1 3.69Å; W252-F266 HydrophobicContact CZ3-CE1 4.2Å; W252-L268 HydrophobicContact CB-CD1 4.49Å; W252-L268 HydrophobicContact CE3-CD1 4.36Å; W252-L268 HydrophobicContact CE3-CD2 4.17Å; W252-L268 HydrophobicContact CE3-CG 4.26Å; W252-L268 HydrophobicContact CZ3-CD2 4.3Å
253	S	89.4	Confident	89.6	Confident	57 Å²	57	72.4 Å²	72.4	40%	0.399	36%	0.362	S	S	.	.	H	α-helix	trans	-62.1	-40	173.1	-174.5	0	0	0	0	111.9	V249 E250 K257	V249-S253 WeakPolarHBondContact O-CB 3.24Å; V249-S253 PolarHBondContact O-N 2.96Å; E250-S253 WeakPolarHBondContact O-CB 3.44Å; E250-S253 PolarHBondContact O-N 2.77Å; E250-S253 VanDerWaalsContact O-N 3.15Å; S253-K257 WeakPolarHBondContact O-CG 3.41Å; S253-K257 PolarHBondContact O-N 2.81Å
254	Q	90.2	Very high	88.5	Confident	51 Å²	51	75.2 Å²	75.2	24%	0.238	39%	0.386	C	S	.	.	H	α-helix	trans	-66.8	-41.8	176.4	-67.1	-178	21	0	0	111.9	E250 L251 W252 R256 K257 R258	E250-Q254 WeakPolarHBondContact O-CG 3.29Å; E250-Q254 PolarHBondContact O-N 3.26Å; E250-Q254 PolarHBondContact OE1-NE2 3.2Å; L251-Q254 PolarHBondContact O-N 2.87Å; W252-Q254 VanDerWaalsContact C-N 3.31Å; W252-Q254 PolarHBondContact O-N 3.41Å; Q254-R256 PolarHBondContact O-N 3.38Å; Q254-K257 WeakPolarHBondContact O-CB 3.26Å; Q254-K257 PolarHBondContact O-N 3.01Å; Q254-R258 WeakPolarHBondContact O-CG 3.42Å; Q254-R258 PolarHBondContact O-N 3.46Å; Q254-R258 VanDerWaalsContact OE1-NH2 3.12Å
255	L	90.5	Very high	87.4	Confident	7 Å²	7	79.1 Å²	79.1	4%	0.037	41%	0.413	C	S	.	.	H	α-helix	trans	-59.2	-45.4	176	-83	173.1	0	0	0	112.2	M202 L207 L251 W252 K257 R258 E259 L262	M202-L255 VanDerWaalsContact O-CD2 3.25Å; M202-L255 WeakPolarHBondContact O-CD2 3.41Å; L207-L255 HydrophobicContact CB-CD1 4.16Å; L207-L255 HydrophobicContact CD2-CD1 3.42Å; L207-L255 VanDerWaalsContact CD2-CD1 3.42Å; L207-L255 HydrophobicContact CG-CD1 4.43Å; L251-L255 PolarHBondContact O-N 3.22Å; W252-L255 HydrophobicContact CE3-CD1 3.93Å; W252-L255 HydrophobicContact CZ3-CD1 4.21Å; W252-L255 PolarHBondContact O-N 2.83Å; L255-K257 PolarHBondContact O-N 3.21Å; L255-K257 VanDerWaalsContact O-N 3.15Å; L255-R258 CarbonylContact O-C 3.53Å; L255-R258 WeakPolarHBondContact O-CA 3.42Å; L255-R258 PolarHBondContact O-N 3.19Å; L255-E259 PolarHBondContact O-N 3.27Å; L255-L262 HydrophobicContact CB-CD1 3.97Å
256	R	87.3	Confident	86.6	Confident	98 Å²	98	80.8 Å²	80.8	37%	0.37	41%	0.413	S	S	.	.	H	α-helix	trans	-59.7	-27	177.2	-74.2	-176.8	-178.7	174.1	3.7	114.1	W252 Q254 R258 L262 D263 S264	W252-R256 VanDerWaalsContact NE1-CZ 3.27Å; W252-R256 VanDerWaalsContact NE1-NE 3.2Å; W252-R256 WeakPolarHBondContact O-CG 3.46Å; W252-R256 PolarHBondContact O-N 3.47Å; W252-R256 VanDerWaalsContact O-N 3.08Å; Q254-R256 PolarHBondContact O-N 3.38Å; R256-R258 VanDerWaalsContact C-N 3.32Å; R256-L262 HydrophobicContact CG-CB 4.4Å; R256-L262 HydrophobicContact CG-CD1 4.47Å; R256-D263 PolarHBondContact NH2-O 2.82Å; R256-S264 PolarHBondContact NH2-O 2.9Å
257	K	88	Confident	85.9	Confident	164 Å²	164	78.2 Å²	78.2	71%	0.713	41%	0.407	S	S	*	.	H	α-helix	trans	-75.8	-23.5	175	-66.8	173.4	-176.5	175.8	0	112.3	S253 Q254 L255	S253-K257 WeakPolarHBondContact O-CG 3.41Å; S253-K257 PolarHBondContact O-N 2.81Å; Q254-K257 WeakPolarHBondContact O-CB 3.26Å; Q254-K257 PolarHBondContact O-N 3.01Å; L255-K257 PolarHBondContact O-N 3.21Å; L255-K257 VanDerWaalsContact O-N 3.15Å
258	R	87.2	Confident	85.8	Confident	137 Å²	137	78.5 Å²	78.5	52%	0.517	41%	0.407	S	S	.	.	H	α-helix	trans	-99.1	-31.3	-177.3	-58.5	178.3	-154.4	178	9.1	112.3	E200 Q254 L255 R256	E200-R258 PolarHBondContact O-NH1 2.91Å; E200-R258 PolarHBondContact O-NH2 2.87Å; Q254-R258 WeakPolarHBondContact O-CG 3.42Å; Q254-R258 PolarHBondContact O-N 3.46Å; Q254-R258 VanDerWaalsContact OE1-NH2 3.12Å; L255-R258 CarbonylContact O-C 3.53Å; L255-R258 WeakPolarHBondContact O-CA 3.42Å; L255-R258 PolarHBondContact O-N 3.19Å; R256-R258 VanDerWaalsContact C-N 3.32Å
259	E	87	Confident	85.7	Confident	58 Å²	58	83.5 Å²	83.5	27%	0.271	43%	0.428	S	S	.	.			trans	-120.8	109.6	-177.6	-64.2	-178	-159.3	0	0	110.4	S203 S204 L255 N261 L262	S203-E259 WeakPolarHBondContact CA-OE1 3.25Å; S203-E259 WeakPolarHBondContact CB-OE1 3.31Å; S204-E259 WeakPolarHBondContact CB-OE2 3.46Å; S204-E259 PolarHBondContact N-OE1 2.91Å; S204-E259 PolarHBondContact OG-OE2 3.16Å; L255-E259 PolarHBondContact O-N 3.27Å; E259-N261 VanDerWaalsContact C-N 3.28Å; E259-N261 PolarHBondContact O-N 3.23Å; E259-L262 HydrophobicContact CB-CD1 3.81Å; E259-L262 HydrophobicContact CB-CG 4.05Å
260	N	73	Confident	85.9	Confident	148 Å²	148	78.3 Å²	78.3	79%	0.791	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76	-1.9	-168	-72.9	-21.5	0	0	0	115.9
261	N	77.1	Confident	86	Confident	161 Å²	161	72.8 Å²	72.8	86%	0.861	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-123.6	21	-169.8	-70.7	-14.7	0	0	0	114.7	E259	E259-N261 VanDerWaalsContact C-N 3.28Å; E259-N261 PolarHBondContact O-N 3.23Å
262	L	80	Confident	86.1	Confident	43 Å²	43	77.5 Å²	77.5	23%	0.225	39%	0.392	C	S	.	.			trans	-82.5	135	-177.6	-67.4	171.6	0	0	0	112.4	S204 W252 L255 R256 E259 S264	S204-L262 VanDerWaalsContact CB-CD2 3.48Å; S204-L262 WeakPolarHBondContact OG-CD2 3.48Å; W252-L262 HydrophobicContact CH2-CB 4.3Å; W252-L262 HydrophobicContact CH2-CD1 4.25Å; W252-L262 HydrophobicContact CH2-CD2 4.18Å; W252-L262 HydrophobicContact CH2-CG 4.49Å; W252-L262 HydrophobicContact CZ2-CB 4.19Å; L255-L262 HydrophobicContact CB-CD1 3.97Å; R256-L262 HydrophobicContact CG-CB 4.4Å; R256-L262 HydrophobicContact CG-CD1 4.47Å; E259-L262 HydrophobicContact CB-CD1 3.81Å; E259-L262 HydrophobicContact CB-CG 4.05Å; L262-S264 PolarHBondContact O-N 3.29Å
263	D	79.2	Confident	86.4	Confident	90 Å²	90	78.5 Å²	78.5	48%	0.481	40%	0.398	S	S	.	.			trans	-60	132.5	177.7	-173.6	-11.2	0	0	0	111.2	R256 S265 F266	R256-D263 PolarHBondContact NH2-O 2.82Å; D263-S265 PolarHBondContact O-N 2.96Å; D263-S265 PolarHBondContact OD1-N 3.49Å; D263-S265 PolarHBondContact OD1-OG 3.48Å; D263-S265 PolarHBondContact OD2-OG 2.66Å; D263-F266 HydrophobicContact CB-CB 4.33Å; D263-F266 PolarHBondContact O-N 2.98Å
264	S	73.6	Confident	86.8	Confident	95 Å²	95	75.8 Å²	75.8	66%	0.664	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.2	-27.7	175.5	69.1	0	0	0	0	113.6	R256 L262	R256-S264 PolarHBondContact NH2-O 2.9Å; L262-S264 PolarHBondContact O-N 3.29Å
265	S	76.9	Confident	87.2	Confident	82 Å²	82	74.3 Å²	74.3	57%	0.573	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.3	-6.7	-172.4	73.1	0	0	0	0	114.6	D263 V267	D263-S265 PolarHBondContact O-N 2.96Å; D263-S265 PolarHBondContact OD1-N 3.49Å; D263-S265 PolarHBondContact OD1-OG 3.48Å; D263-S265 PolarHBondContact OD2-OG 2.66Å; S265-V267 PolarHBondContact O-N 2.87Å
266	F	78.4	Confident	87.4	Confident	94 Å²	94	81 Å²	81	41%	0.412	41%	0.405	S	S	.	.			trans	-66.5	132.5	-175.5	-171.2	-93.7	0	0	0	111.7	C208 W252 D263 L268	C208-F266 HydrophobicContact CB-CE1 3.8Å; C208-F266 HydrophobicContact CB-CZ 3.87Å; W252-F266 HydrophobicContact CH2-CB 3.86Å; W252-F266 AromaticContact CH2-CD1 3.32Å; W252-F266 HydrophobicContact CH2-CD1 3.32Å; W252-F266 HydrophobicContact CH2-CE1 4.16Å; W252-F266 AromaticContact CH2-CG 3.88Å; W252-F266 HydrophobicContact CH2-CG 3.88Å; W252-F266 HydrophobicContact CZ2-CB 3.64Å; W252-F266 AromaticContact CZ2-CD1 3.9Å; W252-F266 HydrophobicContact CZ2-CD1 3.9Å; W252-F266 HydrophobicContact CZ2-CG 4.18Å; W252-F266 AromaticContact CZ3-CD1 3.69Å; W252-F266 HydrophobicContact CZ3-CD1 3.69Å; W252-F266 HydrophobicContact CZ3-CE1 4.2Å; D263-F266 HydrophobicContact CB-CB 4.33Å; D263-F266 PolarHBondContact O-N 2.98Å; F266-L268 HydrophobicContact CE1-CD2 4.2Å
267	V	83	Confident	87.9	Confident	71 Å²	71	76.8 Å²	76.8	43%	0.43	39%	0.391	S	S	.	.			trans	-111.4	135.3	-178.5	176	0	0	0	0	109.1	S265 E269 Q272	S265-V267 PolarHBondContact O-N 2.87Å; V267-E269 VanDerWaalsContact C-N 3.34Å; V267-E269 PolarHBondContact O-N 3.14Å; V267-Q272 HydrophobicContact CG1-CG 4.3Å; V267-Q272 VanDerWaalsContact CG1-NE2 3.27Å
268	L	92.9	Very high	88.3	Confident	13 Å²	13	69 Å²	69	7%	0.068	36%	0.357	C	S	.	.			trans	-78	84.1	173.1	-66.6	171.5	0	0	0	109.8	L207 C208 A248 W252 F266 N270 F271 Q272	L207-L268 HydrophobicContact CD2-CD1 3.86Å; L207-L268 HydrophobicContact CD2-CD2 4.23Å; L207-L268 HydrophobicContact CG-CD1 4.46Å; L207-L268 HydrophobicContact CG-CD2 4.28Å; C208-L268 HydrophobicContact CB-CD2 3.99Å; A248-L268 HydrophobicContact CB-CD1 4.31Å; W252-L268 HydrophobicContact CB-CD1 4.49Å; W252-L268 HydrophobicContact CE3-CD1 4.36Å; W252-L268 HydrophobicContact CE3-CD2 4.17Å; W252-L268 HydrophobicContact CE3-CG 4.26Å; W252-L268 HydrophobicContact CZ3-CD2 4.3Å; F266-L268 HydrophobicContact CE1-CD2 4.2Å; L268-N270 VanDerWaalsContact C-N 3.26Å; L268-N270 PolarHBondContact O-N 3.13Å; L268-F271 HydrophobicContact CB-CB 4.1Å; L268-F271 HydrophobicContact CB-CD2 3.71Å; L268-F271 HydrophobicContact CB-CG 4.19Å; L268-F271 HydrophobicContact CD1-CD2 3.9Å; L268-F271 HydrophobicContact CD1-CE2 3.98Å; L268-F271 HydrophobicContact CD1-CG 4.45Å; L268-F271 HydrophobicContact CG-CD2 4.31Å; L268-F271 WeakPolarHBondContact O-CB 3.43Å; L268-F271 PolarHBondContact O-N 3.49Å; L268-Q272 PolarHBondContact O-N 3.02Å
269	E	94.8	Very high	88.6	Confident	122 Å²	122	65.2 Å²	65.2	57%	0.57	35%	0.348	S	S	*	.	H	α-helix	trans	-56.9	-38.4	-178	-65.7	-176.6	-179.9	0	0	112.5	V267 F271 Q272 E273 I372	V267-E269 VanDerWaalsContact C-N 3.34Å; V267-E269 PolarHBondContact O-N 3.14Å; E269-F271 VanDerWaalsContact C-N 3.26Å; E269-F271 PolarHBondContact O-N 3.36Å; E269-Q272 WeakPolarHBondContact O-CA 3.41Å; E269-Q272 WeakPolarHBondContact O-CB 3.49Å; E269-Q272 PolarHBondContact O-N 3.25Å; E269-E273 PolarHBondContact O-N 3.39Å; E269-I372 HydrophobicContact CB-CD1 3.73Å
270	N	96.5	Very high	88.9	Confident	0 Å²	0	65.6 Å²	65.6	0%	0	35%	0.354	C	S	.	.	H	α-helix	trans	-62	-28.6	175.4	62.9	-30.7	0	0	0	113.7	L207 C208 T210 I215 L268 A274 I372	L207-N270 PolarHBondContact O-ND2 3.26Å; C208-N270 PolarHBondContact O-ND2 3.3Å; C208-N270 PolarHBondContact O-OD1 2.89Å; T210-N270 PolarHBondContact N-ND2 2.97Å; T210-N270 PolarHBondContact O-ND2 2.79Å; I215-N270 HydrophobicContact CD1-CB 4.27Å; I215-N270 WeakPolarHBondContact CD1-ND2 3.47Å; L268-N270 VanDerWaalsContact C-N 3.26Å; L268-N270 PolarHBondContact O-N 3.13Å; N270-A274 WeakPolarHBondContact O-CB 3.33Å; N270-A274 PolarHBondContact O-N 3.29Å; N270-I372 HydrophobicContact CB-CB 4.17Å; N270-I372 HydrophobicContact CB-CG2 4.1Å
271	F	97.5	Very high	89.9	Confident	4 Å²	4	58.8 Å²	58.8	2%	0.018	32%	0.318	C	S	.	.	H	α-helix	trans	-76.2	-32.9	172	-80.6	-108.5	0	0	0	111.9	L199 L207 I215 F219 I244 A248 L251 L268 E269 A274 C275	L199-F271 HydrophobicContact CD1-CZ 4.46Å; L207-F271 HydrophobicContact CD1-CE2 3.96Å; L207-F271 HydrophobicContact CD1-CZ 4.03Å; L207-F271 HydrophobicContact CG-CE2 4.09Å; I215-F271 HydrophobicContact CD1-CD1 4.43Å; I215-F271 HydrophobicContact CD1-CD2 3.51Å; I215-F271 HydrophobicContact CD1-CE1 4.44Å; I215-F271 HydrophobicContact CD1-CE2 3.51Å; I215-F271 HydrophobicContact CD1-CG 4Å; I215-F271 HydrophobicContact CD1-CZ 4Å; I215-F271 HydrophobicContact CG1-CD2 4.48Å; I215-F271 HydrophobicContact CG1-CE2 4.13Å; I215-F271 HydrophobicContact CG1-CZ 4.14Å; I215-F271 HydrophobicContact CG2-CD1 3.77Å; I215-F271 HydrophobicContact CG2-CE1 3.76Å; I215-F271 HydrophobicContact CG2-CG 4.28Å; I215-F271 HydrophobicContact CG2-CZ 4.24Å; F219-F271 AromaticContact CE2-CE1 3.86Å; F219-F271 HydrophobicContact CE2-CE1 3.86Å; F219-F271 HydrophobicContact CZ-CE1 4.32Å; I244-F271 HydrophobicContact CG2-CB 4.42Å; I244-F271 HydrophobicContact CG2-CD1 3.86Å; A248-F271 HydrophobicContact CB-CB 3.99Å; A248-F271 HydrophobicContact CB-CD1 3.57Å; A248-F271 HydrophobicContact CB-CE1 4.21Å; A248-F271 HydrophobicContact CB-CG 3.86Å; L251-F271 HydrophobicContact CD1-CE1 3.95Å; L251-F271 HydrophobicContact CD1-CZ 3.68Å; L268-F271 HydrophobicContact CB-CB 4.1Å; L268-F271 HydrophobicContact CB-CD2 3.71Å; L268-F271 HydrophobicContact CB-CG 4.19Å; L268-F271 HydrophobicContact CD1-CD2 3.9Å; L268-F271 HydrophobicContact CD1-CE2 3.98Å; L268-F271 HydrophobicContact CD1-CG 4.45Å; L268-F271 HydrophobicContact CG-CD2 4.31Å; L268-F271 WeakPolarHBondContact O-CB 3.43Å; L268-F271 PolarHBondContact O-N 3.49Å; E269-F271 VanDerWaalsContact C-N 3.26Å; E269-F271 PolarHBondContact O-N 3.36Å; F271-A274 WeakPolarHBondContact O-CB 3.36Å; F271-A274 PolarHBondContact O-N 2.82Å; F271-C275 PolarHBondContact O-N 3.09Å
272	Q	96.2	Very high	90.8	Very high	108 Å²	108	51.1 Å²	51.1	51%	0.505	28%	0.277	S	S	.	.	H	α-helix	trans	-66.4	-43.6	172.1	-62.2	-175	-25.4	0	0	110.7	V267 L268 E269 A274 C275 Q276	V267-Q272 HydrophobicContact CG1-CG 4.3Å; V267-Q272 VanDerWaalsContact CG1-NE2 3.27Å; L268-Q272 PolarHBondContact O-N 3.02Å; E269-Q272 WeakPolarHBondContact O-CA 3.41Å; E269-Q272 WeakPolarHBondContact O-CB 3.49Å; E269-Q272 PolarHBondContact O-N 3.25Å; Q272-A274 VanDerWaalsContact C-N 3.34Å; Q272-A274 PolarHBondContact O-N 3.1Å; Q272-C275 WeakPolarHBondContact O-CB 3.48Å; Q272-C275 PolarHBondContact O-N 3.38Å; Q272-Q276 WeakPolarHBondContact O-CG 3.45Å; Q272-Q276 PolarHBondContact O-N 3.49Å; Q272-Q276 VanDerWaalsContact O-N 3.09Å
273	E	97	Very high	91.4	Very high	45 Å²	45	52.3 Å²	52.3	21%	0.21	28%	0.284	C	S	.	.	H	α-helix	trans	-58.3	-45.6	172.6	-167.1	-177.9	-175.7	0	0	110.9	W212 E269 C275 Q276 A277 M371 I372	W212-E273 HydrophobicContact CB-CB 4.38Å; W212-E273 HydrophobicContact CB-CG 4.4Å; W212-E273 VanDerWaalsContact CD1-OE1 3.26Å; W212-E273 HydrophobicContact CG-CG 4.17Å; E269-E273 PolarHBondContact O-N 3.39Å; E273-C275 PolarHBondContact O-N 3.16Å; E273-Q276 PolarHBondContact O-N 2.85Å; E273-Q276 VanDerWaalsContact O-N 3.15Å; E273-A277 WeakPolarHBondContact O-CB 3.36Å; E273-A277 PolarHBondContact O-N 3.5Å; E273-M371 WeakPolarHBondContact OE1-CA 2.99Å; E273-I372 WeakPolarHBondContact OE2-CB 3.41Å; E273-I372 WeakPolarHBondContact OE2-CG1 3.31Å; E273-I372 PolarHBondContact OE2-N 3.22Å
274	A	97.8	Very high	92	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-55.6	-47.9	174.4	0	0	0	0	0	112.3	W212 I215 V216 I244 N270 F271 Q272 Q276 A277 V278	W212-A274 HydrophobicContact CB-CB 3.91Å; I215-A274 HydrophobicContact CB-CB 4.02Å; I215-A274 HydrophobicContact CG2-CB 3.73Å; V216-A274 HydrophobicContact CG2-CB 3.8Å; V216-A274 WeakPolarHBondContact CG2-O 3.27Å; I244-A274 HydrophobicContact CD1-CB 4.45Å; I244-A274 HydrophobicContact CG2-CB 4.23Å; N270-A274 WeakPolarHBondContact O-CB 3.33Å; N270-A274 PolarHBondContact O-N 3.29Å; F271-A274 WeakPolarHBondContact O-CB 3.36Å; F271-A274 PolarHBondContact O-N 2.82Å; Q272-A274 VanDerWaalsContact C-N 3.34Å; Q272-A274 PolarHBondContact O-N 3.1Å; A274-Q276 VanDerWaalsContact C-N 3.31Å; A274-Q276 PolarHBondContact O-N 2.89Å; A274-A277 PolarHBondContact O-N 3.38Å; A274-V278 WeakPolarHBondContact O-CG2 3.41Å; A274-V278 PolarHBondContact O-N 3.47Å; A274-V278 VanDerWaalsContact O-N 3.1Å
275	C	97.2	Very high	93	Very high	20 Å²	20	48.2 Å²	48.2	14%	0.135	26%	0.259	C	S	.	.	H	α-helix	trans	-58.6	-40.2	177	-81.4	0	0	0	0	112.8	K241 I244 S245 F271 Q272 E273	K241-C275 WeakPolarHBondContact CD-O 3.35Å; K241-C275 WeakPolarHBondContact CE-O 2.92Å; K241-C275 WeakPolarHBondContact CG-O 3.38Å; K241-C275 PolarHBondContact O-SG 3.48Å; K241-C275 VanDerWaalsContact O-SG 3.39Å; I244-C275 WeakPolarHBondContact CG2-SG 3.3Å; S245-C275 PolarHBondContact OG-SG 3.38Å; S245-C275 VanDerWaalsContact OG-SG 3.36Å; F271-C275 PolarHBondContact O-N 3.09Å; Q272-C275 WeakPolarHBondContact O-CB 3.48Å; Q272-C275 PolarHBondContact O-N 3.38Å; E273-C275 PolarHBondContact O-N 3.16Å
276	Q	96	Very high	93.9	Very high	147 Å²	147	49.3 Å²	49.3	69%	0.687	26%	0.263	S	S	*	.	H	α-helix	trans	-68.3	-42.5	176.7	-66.6	177.7	14.9	0	0	110.9	Q272 E273 A274 V278	Q272-Q276 WeakPolarHBondContact O-CG 3.45Å; Q272-Q276 PolarHBondContact O-N 3.49Å; Q272-Q276 VanDerWaalsContact O-N 3.09Å; E273-Q276 PolarHBondContact O-N 2.85Å; E273-Q276 VanDerWaalsContact O-N 3.15Å; A274-Q276 VanDerWaalsContact C-N 3.31Å; A274-Q276 PolarHBondContact O-N 2.89Å; Q276-V278 VanDerWaalsContact C-N 3.32Å; Q276-V278 PolarHBondContact O-N 3.45Å
277	A	96.3	Very high	94.7	Very high	10 Å²	10	46.9 Å²	46.9	8%	0.083	25%	0.253	C	S	.	.	H	α-helix	trans	-69.3	-21	-177.3	0	0	0	0	0	114.5	W212 E273 A274 N279 T280 A281	W212-A277 HydrophobicContact CD2-CB 3.79Å; W212-A277 HydrophobicContact CE3-CB 3.47Å; W212-A277 VanDerWaalsContact CE3-CB 3.47Å; W212-A277 HydrophobicContact CH2-CB 3.63Å; W212-A277 HydrophobicContact CZ2-CB 3.9Å; W212-A277 HydrophobicContact CZ3-CB 3.42Å; W212-A277 VanDerWaalsContact CZ3-CB 3.42Å; E273-A277 WeakPolarHBondContact O-CB 3.36Å; E273-A277 PolarHBondContact O-N 3.5Å; A274-A277 PolarHBondContact O-N 3.38Å; A277-N279 PolarHBondContact O-N 3.36Å; A277-T280 PolarHBondContact O-N 3.44Å; A277-T280 VanDerWaalsContact O-N 3.07Å; A277-T280 PolarHBondContact O-OG1 3.01Å; A277-T280 VanDerWaalsContact O-OG1 3.11Å; A277-A281 WeakPolarHBondContact O-CB 3.38Å; A277-A281 PolarHBondContact O-N 3.18Å
278	V	97.2	Very high	95.3	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-49.1	-39.5	179.3	171.1	0	0	0	0	112.7	V216 K237 I240 K241 I244 A274 Q276 T280 V282	V216-V278 HydrophobicContact CG2-CG2 4.34Å; K237-V278 HydrophobicContact CB-CG1 4.11Å; K237-V278 HydrophobicContact CG-CG1 4.42Å; I240-V278 HydrophobicContact CB-CG1 4.33Å; I240-V278 HydrophobicContact CG2-CG1 4.18Å; I240-V278 HydrophobicContact CG2-CG2 3.95Å; K241-V278 HydrophobicContact CG-CB 3.9Å; K241-V278 HydrophobicContact CG-CG1 4.11Å; K241-V278 HydrophobicContact CG-CG2 3.88Å; I244-V278 HydrophobicContact CD1-CG2 3.57Å; A274-V278 WeakPolarHBondContact O-CG2 3.41Å; A274-V278 PolarHBondContact O-N 3.47Å; A274-V278 VanDerWaalsContact O-N 3.1Å; Q276-V278 VanDerWaalsContact C-N 3.32Å; Q276-V278 PolarHBondContact O-N 3.45Å; V278-T280 PolarHBondContact O-N 2.98Å; V278-V282 HydrophobicContact CB-CG2 4.5Å; V278-V282 HydrophobicContact CG1-CB 4.38Å; V278-V282 HydrophobicContact CG1-CG2 3.97Å; V278-V282 VanDerWaalsContact O-CB 3.28Å; V278-V282 WeakPolarHBondContact O-CB 3.39Å; V278-V282 WeakPolarHBondContact O-CG2 3.48Å; V278-V282 PolarHBondContact O-N 3.31Å
279	N	93.3	Very high	95.4	Very high	59 Å²	59	49.9 Å²	49.9	32%	0.316	27%	0.266	S	S	.	.	H	α-helix	trans	-64.1	-40.5	-176.1	-79.2	-6.1	0	0	0	112.8	K237 K241 A277	K237-N279 PolarHBondContact NZ-O 3Å; K241-N279 VanDerWaalsContact CE-OD1 3.23Å; K241-N279 WeakPolarHBondContact CE-OD1 3.36Å; K241-N279 PolarHBondContact NZ-ND2 2.85Å; K241-N279 PolarHBondContact NZ-OD1 3.43Å; A277-N279 PolarHBondContact O-N 3.36Å
280	T	92.5	Very high	95.2	Very high	66 Å²	66	47 Å²	47	41%	0.405	26%	0.255	S	S	.	.	H	α-helix	trans	-93	-26.6	-176.9	51.6	0	0	0	0	112.8	A277 V278 L283	A277-T280 PolarHBondContact O-N 3.44Å; A277-T280 VanDerWaalsContact O-N 3.07Å; A277-T280 PolarHBondContact O-OG1 3.01Å; A277-T280 VanDerWaalsContact O-OG1 3.11Å; V278-T280 PolarHBondContact O-N 2.98Å; T280-L283 WeakPolarHBondContact O-CD1 3.5Å
281	A	94.5	Very high	95.2	Very high	5 Å²	5	47.1 Å²	47.1	4%	0.041	26%	0.255	C	S	.	.	H	α-helix	trans	-88.6	-35.4	-177.2	0	0	0	0	0	113.9	L181 L183 W212 A277 L283	L181-A281 HydrophobicContact CD1-CB 3.6Å; L183-A281 HydrophobicContact CD1-CB 4.1Å; W212-A281 HydrophobicContact CH2-CB 3.64Å; W212-A281 HydrophobicContact CZ3-CB 3.55Å; A277-A281 WeakPolarHBondContact O-CB 3.38Å; A277-A281 PolarHBondContact O-N 3.18Å; A281-L283 VanDerWaalsContact C-N 3.33Å; A281-L283 PolarHBondContact O-N 3.44Å; A281-L283 VanDerWaalsContact O-N 3.14Å
282	V	95.5	Very high	95.2	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	27%	0.273	C	S	.	.	S	Bend	trans	-91.2	74.7	-178.4	-173.1	0	0	0	0	108.6	V216 L220 F230 P231 K237 I240 V278	V216-V282 HydrophobicContact CG1-CG2 3.7Å; L220-V282 HydrophobicContact CD1-CG1 3.96Å; F230-V282 HydrophobicContact CE1-CG1 3.85Å; F230-V282 HydrophobicContact CE2-CG1 4.31Å; F230-V282 HydrophobicContact CZ-CG1 3.57Å; P231-V282 HydrophobicContact CB-CG1 4.03Å; P231-V282 HydrophobicContact CG-CG1 3.77Å; K237-V282 WeakPolarHBondContact CE-O 3.2Å; K237-V282 PolarHBondContact NZ-O 2.96Å; I240-V282 HydrophobicContact CD1-CG1 4.42Å; V278-V282 HydrophobicContact CB-CG2 4.5Å; V278-V282 HydrophobicContact CG1-CB 4.38Å; V278-V282 HydrophobicContact CG1-CG2 3.97Å; V278-V282 VanDerWaalsContact O-CB 3.28Å; V278-V282 WeakPolarHBondContact O-CB 3.39Å; V278-V282 WeakPolarHBondContact O-CG2 3.48Å; V278-V282 PolarHBondContact O-N 3.31Å
283	L	92.9	Very high	95.1	Very high	68 Å²	68	52.1 Å²	52.1	36%	0.356	28%	0.275	S	S	.	.			trans	-130.1	143.7	177.7	-69.7	172.1	0	0	0	109.8	C178 T280 A281 T285	C178-L283 HydrophobicContact CB-CD1 4.33Å; T280-L283 WeakPolarHBondContact O-CD1 3.5Å; A281-L283 VanDerWaalsContact C-N 3.33Å; A281-L283 PolarHBondContact O-N 3.44Å; A281-L283 VanDerWaalsContact O-N 3.14Å; L283-T285 PolarHBondContact O-N 3.48Å
284	P	93.2	Very high	95.1	Very high	78 Å²	78	50.6 Å²	50.6	51%	0.506	27%	0.268	S	S	.	.			trans	-62.3	132.6	170.3	-19.9	32.3	0	0	0	110.7	F230 T286	F230-P284 HydrophobicContact CE1-CG 4.44Å; P284-T286 HydrophobicContact CB-CG2 4.43Å; P284-T286 PolarHBondContact O-N 3.2Å
285	T	94.6	Very high	95	Very high	21 Å²	21	51.4 Å²	51.4	13%	0.129	27%	0.273	C	S	.	.			trans	-71.6	119.2	174.3	-58.1	0	0	0	0	109	R182 D184 L283 Q361	R182-T285 WeakPolarHBondContact CD-OG1 3.39Å; D184-T285 PolarHBondContact OD1-OG1 2.89Å; D184-T285 WeakPolarHBondContact OD2-CB 3.35Å; D184-T285 PolarHBondContact OD2-N 2.93Å; D184-T285 PolarHBondContact OD2-OG1 3.02Å; L283-T285 PolarHBondContact O-N 3.48Å; T285-Q361 HydrophobicContact CG2-CG 4.31Å; T285-Q361 VanDerWaalsContact CG2-OE1 3.27Å; T285-Q361 PolarHBondContact O-NE2 2.93Å; T285-Q361 PolarHBondContact O-OE1 3.35Å
286	T	93.9	Very high	94.9	Very high	105 Å²	105	56.3 Å²	56.3	64%	0.644	29%	0.294	S	S	*	.			trans	-136.7	152.9	-177.6	55.1	0	0	0	0	111.3	P284	P284-T286 HydrophobicContact CB-CG2 4.43Å; P284-T286 PolarHBondContact O-N 3.2Å
287	I	96	Very high	94.8	Very high	43 Å²	43	50.7 Å²	50.7	22%	0.221	27%	0.268	C	S	.	.			trans	-78.2	125.4	173.9	-55.5	-173.5	0	0	0	108.5	V291 K292 L295 I354 L362	I287-V291 HydrophobicContact CG2-CB 4.06Å; I287-V291 HydrophobicContact CG2-CG1 4.09Å; I287-K292 HydrophobicContact CG2-CB 4.38Å; I287-L295 HydrophobicContact CD1-CD1 4.27Å; I287-L295 HydrophobicContact CG2-CD1 4.21Å; I287-I354 HydrophobicContact CD1-CD1 4.12Å; I287-I354 HydrophobicContact CD1-CG2 4.15Å; I287-L362 HydrophobicContact CG1-CG 4.21Å; I287-L362 HydrophobicContact CG2-CD1 4.24Å; I287-L362 HydrophobicContact CG2-CD2 4.48Å; I287-L362 HydrophobicContact CG2-CG 4.31Å
288	P	95.3	Very high	94.5	Very high	40 Å²	40	56.8 Å²	56.8	26%	0.26	30%	0.299	S	S	.	.			trans	-58.2	144.2	176	-26.4	37	0	0	0	112.6	N290 V291 K292	P288-N290 VanDerWaalsContact C-N 3.32Å; P288-N290 WeakPolarHBondContact CB-OD1 3.43Å; P288-N290 PolarHBondContact O-N 2.95Å; P288-V291 HydrophobicContact CB-CG2 4.19Å; P288-V291 HydrophobicContact CG-CG2 4.45Å; P288-V291 PolarHBondContact O-N 3.18Å; P288-K292 PolarHBondContact O-N 3.37Å
289	E	94.4	Very high	94.1	Very high	107 Å²	107	61.3 Å²	61.3	50%	0.5	32%	0.316	S	S	.	.	H	α-helix	trans	-60.1	-39	-173.7	-178.7	58.3	-157.8	0	0	113.1	V291 K292 K293	E289-V291 VanDerWaalsContact C-N 3.33Å; E289-V291 PolarHBondContact O-N 3.36Å; E289-K292 PolarHBondContact O-N 3.02Å; E289-K293 WeakPolarHBondContact O-CG 3.34Å; E289-K293 PolarHBondContact O-N 2.95Å; E289-K293 VanDerWaalsContact OE1-CE 3.28Å; E289-K293 WeakPolarHBondContact OE1-CE 3.34Å
290	N	92	Very high	93.8	Very high	62 Å²	62	58.5 Å²	58.5	33%	0.332	30%	0.301	S	S	.	.	H	α-helix	trans	-59.1	-44.2	173.7	57.9	-55	0	0	0	111.4	P288 K293 L294 L421	P288-N290 VanDerWaalsContact C-N 3.32Å; P288-N290 WeakPolarHBondContact CB-OD1 3.43Å; P288-N290 PolarHBondContact O-N 2.95Å; N290-K293 PolarHBondContact O-N 2.91Å; N290-L294 WeakPolarHBondContact O-CG 3.46Å; N290-L294 PolarHBondContact O-N 2.83Å; N290-L421 PolarHBondContact ND2-O 2.88Å
291	V	96.4	Very high	93.4	Very high	1 Å²	1	59.5 Å²	59.5	1%	0.006	30%	0.304	C	S	.	.	H	α-helix	trans	-70.2	-38.4	179.1	-177	0	0	0	0	110.7	I287 P288 E289 K293 L294 L295 L362 A418 L421	I287-V291 HydrophobicContact CG2-CB 4.06Å; I287-V291 HydrophobicContact CG2-CG1 4.09Å; P288-V291 HydrophobicContact CB-CG2 4.19Å; P288-V291 HydrophobicContact CG-CG2 4.45Å; P288-V291 PolarHBondContact O-N 3.18Å; E289-V291 VanDerWaalsContact C-N 3.33Å; E289-V291 PolarHBondContact O-N 3.36Å; V291-K293 VanDerWaalsContact C-N 3.33Å; V291-K293 PolarHBondContact O-N 3.35Å; V291-L294 WeakPolarHBondContact O-CB 3.4Å; V291-L294 PolarHBondContact O-N 3.39Å; V291-L294 VanDerWaalsContact O-N 3.09Å; V291-L295 HydrophobicContact CG1-CD1 4.27Å; V291-L295 HydrophobicContact CG1-CG 4.42Å; V291-L295 WeakPolarHBondContact O-CG 3.3Å; V291-L295 PolarHBondContact O-N 3.43Å; V291-L362 HydrophobicContact CG1-CD1 4.38Å; V291-L362 HydrophobicContact CG1-CD2 4.06Å; V291-A418 WeakPolarHBondContact CG2-O 3.43Å; V291-L421 HydrophobicContact CG2-CB 4.41Å
292	K	96.6	Very high	92.9	Very high	90 Å²	90	62.4 Å²	62.4	39%	0.391	32%	0.319	S	S	.	.	H	α-helix	trans	-57.6	-46.3	175.4	-172.6	-178.3	172.3	-168.8	0	111.5	I287 P288 E289 L294 L295 E296	I287-K292 HydrophobicContact CG2-CB 4.38Å; P288-K292 PolarHBondContact O-N 3.37Å; E289-K292 PolarHBondContact O-N 3.02Å; K292-L294 VanDerWaalsContact C-N 3.26Å; K292-L294 PolarHBondContact O-N 3.41Å; K292-L295 PolarHBondContact O-N 3.4Å; K292-L295 VanDerWaalsContact O-N 3.11Å; K292-E296 WeakPolarHBondContact CE-OE1 3.32Å; K292-E296 WeakPolarHBondContact O-CG 3.43Å; K292-E296 PolarHBondContact O-N 2.95Å
293	K	95.6	Very high	92	Very high	128 Å²	128	66.6 Å²	66.6	56%	0.557	35%	0.346	S	S	*	.	H	α-helix	trans	-57.6	-38.1	174.5	-71.6	174.6	-178.6	178.7	0	112.6	E289 N290 V291 E296 D297	E289-K293 WeakPolarHBondContact O-CG 3.34Å; E289-K293 PolarHBondContact O-N 2.95Å; E289-K293 VanDerWaalsContact OE1-CE 3.28Å; E289-K293 WeakPolarHBondContact OE1-CE 3.34Å; N290-K293 PolarHBondContact O-N 2.91Å; V291-K293 VanDerWaalsContact C-N 3.33Å; V291-K293 PolarHBondContact O-N 3.35Å; K293-E296 PolarHBondContact O-N 2.86Å; K293-D297 PolarHBondContact O-N 3.47Å
294	L	95.6	Very high	91.1	Very high	13 Å²	13	66.4 Å²	66.4	7%	0.068	35%	0.35	C	S	.	.	H	α-helix	trans	-68.4	-38.6	176.1	-61.9	176.3	0	0	0	112.7	N290 V291 K292 E296 D297 F343 W344 V347 L421 V423	N290-L294 WeakPolarHBondContact O-CG 3.46Å; N290-L294 PolarHBondContact O-N 2.83Å; V291-L294 WeakPolarHBondContact O-CB 3.4Å; V291-L294 PolarHBondContact O-N 3.39Å; V291-L294 VanDerWaalsContact O-N 3.09Å; K292-L294 VanDerWaalsContact C-N 3.26Å; K292-L294 PolarHBondContact O-N 3.41Å; L294-E296 PolarHBondContact O-N 2.79Å; L294-D297 WeakPolarHBondContact O-CB 3.11Å; L294-D297 PolarHBondContact O-N 2.98Å; L294-F343 HydrophobicContact CD1-CZ 4.13Å; L294-W344 HydrophobicContact CD2-CH2 3.98Å; L294-V347 HydrophobicContact CB-CG1 4.48Å; L294-L421 HydrophobicContact CD1-CB 3.73Å; L294-V423 HydrophobicContact CD1-CG2 4.32Å; L294-V423 HydrophobicContact CD2-CB 3.78Å; L294-V423 HydrophobicContact CD2-CG2 3.38Å; L294-V423 HydrophobicContact CG-CG2 4.49Å
295	L	95.3	Very high	90.2	Very high	17 Å²	17	63.1 Å²	63.1	9%	0.089	33%	0.328	C	S	.	.	H	α-helix	trans	-67.3	-29.7	177.6	-64.9	169	0	0	0	112.2	I287 V291 K292 V347 L350 R351 I354	I287-L295 HydrophobicContact CD1-CD1 4.27Å; I287-L295 HydrophobicContact CG2-CD1 4.21Å; V291-L295 HydrophobicContact CG1-CD1 4.27Å; V291-L295 HydrophobicContact CG1-CG 4.42Å; V291-L295 WeakPolarHBondContact O-CG 3.3Å; V291-L295 PolarHBondContact O-N 3.43Å; K292-L295 PolarHBondContact O-N 3.4Å; K292-L295 VanDerWaalsContact O-N 3.11Å; L295-V347 HydrophobicContact CD2-CG1 4.24Å; L295-L350 HydrophobicContact CD2-CD2 4.28Å; L295-L350 HydrophobicContact CD2-CG 4.3Å; L295-R351 HydrophobicContact CD2-CB 3.83Å; L295-R351 HydrophobicContact CD2-CG 4.38Å; L295-R351 WeakPolarHBondContact O-CD 2.89Å; L295-R351 PolarHBondContact O-NH1 3.46Å; L295-I354 HydrophobicContact CD1-CD1 3.54Å; L295-I354 HydrophobicContact CD2-CD1 3.96Å; L295-I354 HydrophobicContact CG-CD1 4.43Å
296	E	95.1	Very high	88.9	Confident	123 Å²	123	64.7 Å²	64.7	58%	0.575	34%	0.338	S	S	*	.	H	α-helix	trans	-90.4	-9.7	179	-67.5	173.6	180	0	0	113.4	K292 K293 L294	K292-E296 WeakPolarHBondContact CE-OE1 3.32Å; K292-E296 WeakPolarHBondContact O-CG 3.43Å; K292-E296 PolarHBondContact O-N 2.95Å; K293-E296 PolarHBondContact O-N 2.86Å; L294-E296 PolarHBondContact O-N 2.79Å
297	D	94.3	Very high	87.2	Confident	29 Å²	29	64.7 Å²	64.7	16%	0.155	33%	0.334	C	S	.	.	S	Bend	trans	-63.7	138.6	-179.2	-166.4	-65.4	0	0	0	111.8	K293 L294 R299 C300 W344 R425	K293-D297 PolarHBondContact O-N 3.47Å; L294-D297 WeakPolarHBondContact O-CB 3.11Å; L294-D297 PolarHBondContact O-N 2.98Å; D297-R299 PolarHBondContact O-N 2.98Å; D297-R299 VanDerWaalsContact O-N 3.16Å; D297-R299 WeakPolarHBondContact OD1-CB 3.39Å; D297-R299 WeakPolarHBondContact OD1-CG 3.39Å; D297-R299 PolarHBondContact OD1-N 2.86Å; D297-C300 WeakPolarHBondContact O-CB 3.37Å; D297-C300 PolarHBondContact O-N 3.08Å; D297-W344 HydrophobicContact CB-CH2 3.65Å; D297-W344 HydrophobicContact CB-CZ3 3.79Å; D297-R425 IonicContact OD1-NH2 2.89Å; D297-R425 IonicContact OD2-CZ 3.14Å; D297-R425 VanDerWaalsContact OD2-CZ 3.23Å; D297-R425 IonicContact OD2-NH1 3.9Å; D297-R425 PolarHBondContact OD2-NH1 3.46Å; D297-R425 IonicContact OD2-NH2 3.91Å; D297-R425 PolarHBondContact OD2-NH2 2.82Å
298	D	90.9	Very high	85.2	Confident	137 Å²	137	67.4 Å²	67.4	73%	0.733	35%	0.348	S	S	*	.	G	3₁₀ helix	trans	-57.2	-30.8	-179.2	-70.5	-32.1	0	0	0	112.9	C300 N301 D302	D298-C300 PolarHBondContact O-N 3.26Å; D298-N301 WeakPolarHBondContact O-CA 3.5Å; D298-N301 WeakPolarHBondContact O-CB 3.42Å; D298-N301 PolarHBondContact O-N 2.87Å; D298-D302 PolarHBondContact O-N 2.97Å
299	R	88.8	Confident	82.7	Confident	96 Å²	96	68.3 Å²	68.3	36%	0.362	36%	0.364	S	S	.	.	G	3₁₀ helix	trans	-59.6	-31.2	176.7	-67.6	-174.7	-168.8	-147.9	1.3	112.1	E166 D297 N301 D302 L305 W344	E166-R299 IonicContact OE1-CZ 2.88Å; E166-R299 IonicContact OE1-NH1 3.42Å; E166-R299 PolarHBondContact OE1-NH1 3.13Å; E166-R299 WeakPolarHBondContact OE2-CD 3.33Å; E166-R299 IonicContact OE2-CZ 3.6Å; E166-R299 IonicContact OE2-NE 2.7Å; E166-R299 PolarHBondContact OE2-NE 2.95Å; E166-R299 IonicContact OE2-NH1 3.63Å; E166-R299 PolarHBondContact OE2-NH1 2.87Å; E166-R299 IonicContact OE2-NH2 2.7Å; D297-R299 PolarHBondContact O-N 2.98Å; D297-R299 VanDerWaalsContact O-N 3.16Å; D297-R299 WeakPolarHBondContact OD1-CB 3.39Å; D297-R299 WeakPolarHBondContact OD1-CG 3.39Å; D297-R299 PolarHBondContact OD1-N 2.86Å; R299-N301 PolarHBondContact O-N 2.82Å; R299-N301 VanDerWaalsContact O-N 3.17Å; R299-D302 VanDerWaalsContact O-CB 3.26Å; R299-D302 WeakPolarHBondContact O-CB 3.4Å; R299-D302 PolarHBondContact O-N 3.07Å; R299-L305 WeakPolarHBondContact O-CD1 3.39Å; R299-W344 HydrophobicContact CB-CD2 3.73Å; R299-W344 HydrophobicContact CB-CE3 3.92Å; R299-W344 HydrophobicContact CB-CG 4.23Å; R299-W344 HydrophobicContact CB-CH2 4.29Å; R299-W344 HydrophobicContact CB-CZ2 4.14Å; R299-W344 HydrophobicContact CB-CZ3 4.18Å; R299-W344 HydrophobicContact CG-CZ2 4.49Å
300	C	86	Confident	79.6	Confident	0 Å²	0	71.8 Å²	71.8	0%	0	38%	0.384	C	S	.	.	G	3₁₀ helix	trans	-64.2	-20.9	176.3	-163.7	0	0	0	0	112.6	D297 D298 W344 R348 R351	D297-C300 WeakPolarHBondContact O-CB 3.37Å; D297-C300 PolarHBondContact O-N 3.08Å; D298-C300 PolarHBondContact O-N 3.26Å; C300-W344 HydrophobicContact CB-CE3 4.47Å; C300-R348 VanDerWaalsContact SG-CA 3.58Å; C300-R351 PolarHBondContact O-NH2 3.46Å; C300-R351 PolarHBondContact SG-NH1 3.36Å
301	N	85.3	Confident	76.6	Confident	86 Å²	86	74 Å²	74	46%	0.46	40%	0.404	S	S	.	.	G	3₁₀ helix	trans	-96	-2.1	176.8	-59.7	-39.6	0	0	0	113.6	D298 R299 P303 R351	D298-N301 WeakPolarHBondContact O-CA 3.5Å; D298-N301 WeakPolarHBondContact O-CB 3.42Å; D298-N301 PolarHBondContact O-N 2.87Å; R299-N301 PolarHBondContact O-N 2.82Å; R299-N301 VanDerWaalsContact O-N 3.17Å; N301-P303 WeakPolarHBondContact O-CD 3.32Å; N301-R351 VanDerWaalsContact OD1-CZ 3.29Å; N301-R351 PolarHBondContact OD1-NH1 2.85Å; N301-R351 PolarHBondContact OD1-NH2 2.89Å
302	D	83.8	Confident	73.3	Confident	66 Å²	66	77.6 Å²	77.6	35%	0.353	44%	0.441	S	S	.	.			trans	-62.1	123.7	-175.6	-169.7	-29.2	0	0	0	110.9	D298 R299 C304 L305	D298-D302 PolarHBondContact O-N 2.97Å; R299-D302 VanDerWaalsContact O-CB 3.26Å; R299-D302 WeakPolarHBondContact O-CB 3.4Å; R299-D302 PolarHBondContact O-N 3.07Å; D302-C304 PolarHBondContact O-N 3.33Å; D302-C304 WeakPolarHBondContact OD1-CB 3.36Å; D302-C304 PolarHBondContact OD1-N 3.16Å; D302-C304 PolarHBondContact OD1-SG 3.07Å; D302-C304 PolarHBondContact OD2-SG 3.34Å; D302-L305 HydrophobicContact CB-CD1 4.39Å; D302-L305 HydrophobicContact CB-CG 4.2Å; D302-L305 WeakPolarHBondContact O-CB 3.11Å; D302-L305 PolarHBondContact O-N 2.92Å; D302-L305 VanDerWaalsContact O-N 3.15Å
303	P	76.1	Confident	69.9	Low	89 Å²	89	78.9 Å²	78.9	58%	0.578	46%	0.462	S	S	*	.	G	3₁₀ helix	trans	-56.9	-30.1	175.8	-24.1	33.7	0	0	0	113.4	N301 L305 T306 N307	N301-P303 WeakPolarHBondContact O-CD 3.32Å; P303-L305 PolarHBondContact O-N 3.45Å; P303-T306 PolarHBondContact O-N 2.76Å; P303-T306 PolarHBondContact O-OG1 3.04Å; P303-N307 PolarHBondContact O-N 2.92Å
304	C	74.4	Confident	66.6	Low	63 Å²	63	78 Å²	78	43%	0.426	47%	0.472	S	S	.	.	G	3₁₀ helix	trans	-62.2	-25.4	179.9	80.7	0	0	0	0	112.4	D302 T306 N307	D302-C304 PolarHBondContact O-N 3.33Å; D302-C304 WeakPolarHBondContact OD1-CB 3.36Å; D302-C304 PolarHBondContact OD1-N 3.16Å; D302-C304 PolarHBondContact OD1-SG 3.07Å; D302-C304 PolarHBondContact OD2-SG 3.34Å; C304-T306 PolarHBondContact O-N 3.18Å; C304-N307 PolarHBondContact O-N 3.49Å
305	L	73.7	Confident	63.2	Low	10 Å²	10	83.2 Å²	83.2	5%	0.052	51%	0.51	C	S	.	.	G	3₁₀ helix	trans	-68	-18.5	174.7	-60.6	179.8	0	0	0	113	R299 D302 P303 V341 W344 R345 F403	R299-L305 WeakPolarHBondContact O-CD1 3.39Å; D302-L305 HydrophobicContact CB-CD1 4.39Å; D302-L305 HydrophobicContact CB-CG 4.2Å; D302-L305 WeakPolarHBondContact O-CB 3.11Å; D302-L305 PolarHBondContact O-N 2.92Å; D302-L305 VanDerWaalsContact O-N 3.15Å; P303-L305 PolarHBondContact O-N 3.45Å; L305-V341 HydrophobicContact CD2-CG1 4.41Å; L305-W344 HydrophobicContact CD1-CB 3.76Å; L305-W344 HydrophobicContact CD2-CB 3.81Å; L305-W344 HydrophobicContact CG-CB 4.47Å; L305-R345 HydrophobicContact CB-CG 4.34Å; L305-R345 HydrophobicContact CD2-CG 4.15Å; L305-F403 WeakPolarHBondContact O-CZ 3.08Å
306	T	66.9	Low	59.9	Low	54 Å²	54	88.3 Å²	88.3	33%	0.331	54%	0.541	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.9	-24	173.9	61.9	0	0	0	0	113.5	P303 C304 I308	P303-T306 PolarHBondContact O-N 2.76Å; P303-T306 PolarHBondContact O-OG1 3.04Å; C304-T306 PolarHBondContact O-N 3.18Å; T306-I308 PolarHBondContact O-N 3.45Å
307	N	59.2	Low	56.6	Low	105 Å²	105	90.1 Å²	90.1	56%	0.561	56%	0.555	S	S	*	*			trans	-78.7	119	-174.9	-74.4	-22.4	0	0	0	110.2	P303 C304 G309	P303-N307 PolarHBondContact O-N 2.92Å; C304-N307 PolarHBondContact O-N 3.49Å; N307-G309 PolarHBondContact O-N 3.5Å
308	I	53.1	Low	53.3	Low	100 Å²	100	96 Å²	96	51%	0.513	59%	0.586	S	S	.	*			trans	-72.1	106.3	164.7	-53.6	171	0	0	0	105.2	T306 I310 Q402	T306-I308 PolarHBondContact O-N 3.45Å; I308-I310 PolarHBondContact O-N 2.94Å; I308-Q402 HydrophobicContact CD1-CB 4.15Å
309	G	43.8	Very low	50.1	Low	58 Å²	58	98.4 Å²	98.4	60%	0.598	59%	0.59	S	S	*	*			trans	-51.9	119	169.2	0	0	0	0	0	108.4	N307 S311	N307-G309 PolarHBondContact O-N 3.5Å; G309-S311 VanDerWaalsContact C-N 3.28Å; G309-S311 PolarHBondContact O-N 3.45Å
310	I	29.4	Very low	47	Very low	180 Å²	180	101.8 Å²	101.8	92%	0.923	61%	0.607	S	S	*	*			trans	-68.2	91.7	-179.4	-58.8	172.1	0	0	0	107.4	I308	I308-I310 PolarHBondContact O-N 2.94Å
311	S	29.3	Very low	44.2	Very low	109 Å²	109	107.8 Å²	107.8	76%	0.762	65%	0.646	S	S	*	*			trans	-134.6	99.8	162.5	59.7	0	0	0	0	108.3	G309	G309-S311 VanDerWaalsContact C-N 3.28Å; G309-S311 PolarHBondContact O-N 3.45Å
312	G	26.7	Very low	41.4	Very low	76 Å²	76	110.1 Å²	110.1	78%	0.784	66%	0.664	S	S	*	*			trans	83.4	110.4	154.3	0	0	0	0	0	117.3
313	S	24.5	Very low	38.7	Very low	118 Å²	118	117.8 Å²	117.8	83%	0.825	69%	0.688	S	S	*	*			trans	-43.5	133.6	167.6	52.2	0	0	0	0	116.6
314	S	26.4	Very low	36.3	Very low	108 Å²	108	121.3 Å²	121.3	76%	0.755	70%	0.702	S	S	*	*				173.7	128.8	112.7	48.3	0	0	0	0	111.3
315	S	24	Very low	34.1	Very low	124 Å²	124	127.2 Å²	127.2	87%	0.867	72%	0.723	S	S	*	*			trans	-74.7	116.7	175.6	38	0	0	0	0	111.1
316	T	26.8	Very low	31.8	Very low	123 Å²	123	135.4 Å²	135.4	76%	0.755	76%	0.761	S	S	*	*			trans	-136.2	126.3	165.3	51.6	0	0	0	0	111.7	L318	T316-L318 PolarHBondContact O-N 3.21Å
317	N	24.3	Very low	29.8	Very low	162 Å²	162	141.9 Å²	141.9	87%	0.866	79%	0.787	S	S	*	*			trans	-57	112.2	177.3	-68.8	-56.7	0	0	0	112.5	K319	N317-K319 PolarHBondContact O-N 2.92Å
318	L	25.1	Very low	28.3	Very low	152 Å²	152	144.2 Å²	144.2	80%	0.796	80%	0.799	S	S	*	*			trans	-74.1	101.7	163.9	-87.4	152.9	0	0	0	109.1	T316	T316-L318 PolarHBondContact O-N 3.21Å
319	K	24.5	Very low	26.9	Very low	188 Å²	188	146.2 Å²	146.2	82%	0.817	81%	0.811	S	S	*	*			trans	-82.1	131	166.3	-80.5	-177.9	174.5	179.6	0	109.5	N317	N317-K319 PolarHBondContact O-N 2.92Å
320	F	24.4	Very low	26.2	Very low	166 Å²	166	154.3 Å²	154.3	73%	0.728	82%	0.823	S	S	*	*			trans	-59.3	128.8	167.8	-75.1	-91.4	0	0	0	110.3	T322	F320-T322 PolarHBondContact O-N 3.28Å
321	P	26.2	Very low	26.3	Very low	127 Å²	127	154.4 Å²	154.4	83%	0.825	82%	0.817	S	S	*	*			trans	-79.4	114.6	172.9	29.9	-28.7	0	0	0	109.6
322	T	26.4	Very low	26.5	Very low	135 Å²	135	156.7 Å²	156.7	83%	0.828	82%	0.82	S	S	*	*			trans	-63.3	132.1	166.4	34.9	0	0	0	0	110.4	F320 N324	F320-T322 PolarHBondContact O-N 3.28Å; T322-N324 PolarHBondContact O-N 3.07Å
323	R	27.9	Very low	27	Very low	226 Å²	226	156 Å²	156	85%	0.853	80%	0.803	S	S	*	*			trans	-41.8	119.1	176.8	-78.6	177.8	172.5	169.4	-1	112.1
324	N	25	Very low	28.4	Very low	163 Å²	163	154.7 Å²	154.7	87%	0.872	79%	0.791	S	S	*	*			trans	-144.1	122	149.9	-95.2	-22	0	0	0	109.2	T322 Q326	T322-N324 PolarHBondContact O-N 3.07Å; N324-Q326 PolarHBondContact O-N 3.46Å
325	H	29	Very low	29.7	Very low	188 Å²	188	154.7 Å²	154.7	87%	0.87	78%	0.775	S	S	*	*			trans	-69	104.1	171.1	-77.7	-71.2	0	0	0	109.3
326	Q	24.3	Very low	31.3	Very low	181 Å²	181	152.5 Å²	152.5	85%	0.846	76%	0.756	S	S	*	*			trans	-164.6	131.3	151.2	-108	164.7	23.7	0	0	110.9	N324	N324-Q326 PolarHBondContact O-N 3.46Å
327	Q	26	Very low	33.3	Very low	191 Å²	191	149.5 Å²	149.5	89%	0.893	74%	0.741	S	S	*	*			trans	-8.2	117.5	168.3	-82	165.4	-30.2	0	0	116.8
328	L	26.5	Very low	36	Very low	154 Å²	154	142.6 Å²	142.6	81%	0.806	70%	0.703	S	S	*	*			trans	-127.3	110.3	154.3	-120.2	95.6	0	0	0	110.2
329	N	24.6	Very low	38.9	Very low	141 Å²	141	137.8 Å²	137.8	75%	0.754	68%	0.683	S	S	*	*			trans	-63.4	145.1	157.3	-86.5	-28.5	0	0	0	109.7
330	R	28.7	Very low	41.9	Very low	228 Å²	228	130.9 Å²	130.9	86%	0.86	66%	0.658	S	S	*	*			trans	68.7	106.5	173	-70.4	-177.6	170.3	170.6	-3.9	116.8
331	K	32.6	Very low	45	Very low	183 Å²	183	126.3 Å²	126.3	80%	0.796	64%	0.643	S	S	*	*			trans	-141.4	114	138.5	-79.8	-169	176.3	179	0	108.5	S333	K331-S333 PolarHBondContact O-N 3.2Å
332	D	32.8	Very low	48.2	Very low	156 Å²	156	121.3 Å²	121.3	83%	0.834	61%	0.609	S	S	*	*			trans	-63.7	69.1	154.7	-57.4	-53.4	0	0	0	107.7	V334	D332-V334 PolarHBondContact O-N 3.41Å
333	S	38.1	Very low	51.4	Low	61 Å²	61	114.9 Å²	114.9	43%	0.427	57%	0.569	S	S	.	*			trans	-68.5	88.7	159.7	53.7	0	0	0	0	104.9	K331 Y335	K331-S333 PolarHBondContact O-N 3.2Å; S333-Y335 PolarHBondContact O-N 2.82Å
334	V	52.5	Low	54.6	Low	92 Å²	92	104.4 Å²	104.4	56%	0.558	53%	0.53	S	S	*	.			trans	-53.5	105.3	176.9	-177.3	0	0	0	0	106.4	F24 D332 T336	F24-V334 HydrophobicContact CE1-CG1 4.11Å; F24-V334 HydrophobicContact CZ-CG1 3.77Å; D332-V334 PolarHBondContact O-N 3.41Å; V334-T336 HydrophobicContact CG1-CG2 3.97Å; V334-T336 PolarHBondContact O-N 3.23Å
335	Y	54.9	Low	58	Low	107 Å²	107	97.9 Å²	97.9	42%	0.42	49%	0.493	S	S	.	.			trans	-64.8	99.1	-179.5	-63.8	-72.6	0	0	0	107	D20 H21 F24 S333	D20-Y335 HydrophobicContact CB-CE2 4.37Å; H21-Y335 HydrophobicContact CB-CD1 3.57Å; H21-Y335 HydrophobicContact CB-CE1 4.27Å; H21-Y335 HydrophobicContact CB-CG 3.77Å; F24-Y335 HydrophobicContact CB-CD2 4.09Å; F24-Y335 HydrophobicContact CB-CG 4.47Å; F24-Y335 WeakPolarHBondContact CD1-O 3.16Å; F24-Y335 HydrophobicContact CD2-CD2 4.28Å; F24-Y335 WeakPolarHBondContact CE1-O 3.23Å; F24-Y335 HydrophobicContact CG-CD2 4.19Å; S333-Y335 PolarHBondContact O-N 2.82Å
336	T	56.3	Low	61.2	Low	78 Å²	78	89 Å²	89	48%	0.479	45%	0.452	S	S	.	.			trans	-103	129.1	178	47	0	0	0	0	108.5	V334	V334-T336 HydrophobicContact CG1-CG2 3.97Å; V334-T336 PolarHBondContact O-N 3.23Å
337	S	70.5	Confident	64.6	Low	61 Å²	61	80.4 Å²	80.4	43%	0.427	41%	0.412	S	S	.	.			trans	-58.9	146.7	173.4	58.3	0	0	0	0	110.1	S339	S337-S339 PolarHBondContact O-N 3.43Å
338	I	79.8	Confident	67.9	Low	16 Å²	16	74.6 Å²	74.6	8%	0.082	38%	0.382	C	S	.	.			trans	-72.1	106.3	179.5	-64.5	172.2	0	0	0	107.7	V170 K342 F343 L346 L413	V170-I338 HydrophobicContact CB-CD1 4.33Å; V170-I338 HydrophobicContact CG2-CD1 3.74Å; I338-K342 HydrophobicContact CG2-CB 3.76Å; I338-F343 HydrophobicContact CG2-CB 3.9Å; I338-L346 HydrophobicContact CD1-CD1 4.3Å; I338-L346 HydrophobicContact CG2-CD1 4.05Å; I338-L413 HydrophobicContact CD1-CD2 4.43Å
339	S	86.2	Confident	71.2	Confident	52 Å²	52	67.5 Å²	67.5	36%	0.364	35%	0.345	S	S	.	.			trans	-60.7	158.1	175.6	74.2	0	0	0	0	111.5	S337 V341 K342 F343	S337-S339 PolarHBondContact O-N 3.43Å; S339-V341 PolarHBondContact O-N 3.23Å; S339-K342 PolarHBondContact O-N 3.47Å; S339-K342 WeakPolarHBondContact OG-CG 3.46Å; S339-K342 PolarHBondContact OG-N 3.2Å; S339-F343 WeakPolarHBondContact O-CB 3.36Å; S339-F343 PolarHBondContact O-N 2.77Å
340	S	87.9	Confident	74.7	Confident	42 Å²	42	60.8 Å²	60.8	29%	0.294	31%	0.309	S	S	.	.	H	α-helix	trans	-52.7	-41.9	176.8	167.7	0	0	0	0	112.2	E166 K342 F343 W344	E166-S340 PolarHBondContact OE1-OG 3.37Å; S340-K342 PolarHBondContact O-N 3.34Å; S340-F343 WeakPolarHBondContact O-CB 3.4Å; S340-F343 PolarHBondContact O-N 3.49Å; S340-W344 PolarHBondContact O-N 2.98Å
341	V	89.2	Confident	77.9	Confident	70 Å²	70	53 Å²	53	42%	0.424	28%	0.28	S	S	.	.	H	α-helix	trans	-62.4	-46.4	177.1	179.4	0	0	0	0	111.6	L305 S339 F343 W344 R345	L305-V341 HydrophobicContact CD2-CG1 4.41Å; S339-V341 PolarHBondContact O-N 3.23Å; V341-F343 VanDerWaalsContact C-N 3.34Å; V341-W344 PolarHBondContact O-N 3.27Å; V341-R345 WeakPolarHBondContact O-CG 3.17Å; V341-R345 PolarHBondContact O-N 3.02Å
342	K	92.3	Very high	80.8	Confident	23 Å²	23	46.9 Å²	46.9	10%	0.1	26%	0.256	C	S	.	.	H	α-helix	trans	-61.4	-44.5	176	-71.5	-174.3	-172	-170.1	0	111	I338 S339 S340 W344 R345 L346 D405 I406	I338-K342 HydrophobicContact CG2-CB 3.76Å; S339-K342 PolarHBondContact O-N 3.47Å; S339-K342 WeakPolarHBondContact OG-CG 3.46Å; S339-K342 PolarHBondContact OG-N 3.2Å; S340-K342 PolarHBondContact O-N 3.34Å; K342-W344 PolarHBondContact O-N 3.42Å; K342-R345 PolarHBondContact O-N 3.2Å; K342-L346 VanDerWaalsContact O-CG 3.31Å; K342-L346 WeakPolarHBondContact O-CG 3.45Å; K342-L346 PolarHBondContact O-N 2.97Å; K342-D405 WeakPolarHBondContact CE-O 3.3Å; K342-D405 WeakPolarHBondContact CE-OD2 3.46Å; K342-D405 VanDerWaalsContact CG-OD2 3.3Å; K342-D405 WeakPolarHBondContact CG-OD2 3.35Å; K342-D405 PolarHBondContact NZ-O 2.89Å; K342-I406 HydrophobicContact CB-CG1 4.43Å; K342-I406 HydrophobicContact CD-CG1 4.41Å; K342-I406 HydrophobicContact CG-CG1 4.05Å
343	F	95	Very high	83.9	Confident	0 Å²	0	39.6 Å²	39.6	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-56.5	-50.9	178.5	179.2	-91.9	0	0	0	111.3	V168 V170 L294 I338 S339 S340 V341 R345 L346 V347 F414 L421 V423	V168-F343 HydrophobicContact CB-CB 4.06Å; V168-F343 HydrophobicContact CB-CD1 3.95Å; V168-F343 HydrophobicContact CB-CD2 3.84Å; V168-F343 HydrophobicContact CB-CE1 4.34Å; V168-F343 HydrophobicContact CB-CE2 4.22Å; V168-F343 HydrophobicContact CB-CG 3.68Å; V168-F343 HydrophobicContact CB-CZ 4.46Å; V168-F343 HydrophobicContact CG1-CB 4.17Å; V168-F343 HydrophobicContact CG1-CD1 3.68Å; V168-F343 HydrophobicContact CG1-CD2 4.48Å; V168-F343 HydrophobicContact CG1-CE1 4.16Å; V168-F343 HydrophobicContact CG1-CG 3.86Å; V168-F343 HydrophobicContact CG2-CB 3.92Å; V168-F343 HydrophobicContact CG2-CD2 4.26Å; V168-F343 HydrophobicContact CG2-CG 4.07Å; V170-F343 HydrophobicContact CG2-CD2 3.79Å; V170-F343 HydrophobicContact CG2-CE2 3.98Å; L294-F343 HydrophobicContact CD1-CZ 4.13Å; I338-F343 HydrophobicContact CG2-CB 3.9Å; S339-F343 WeakPolarHBondContact O-CB 3.36Å; S339-F343 PolarHBondContact O-N 2.77Å; S340-F343 WeakPolarHBondContact O-CB 3.4Å; S340-F343 PolarHBondContact O-N 3.49Å; V341-F343 VanDerWaalsContact C-N 3.34Å; F343-R345 PolarHBondContact O-N 2.91Å; F343-L346 WeakPolarHBondContact O-CB 3.18Å; F343-L346 PolarHBondContact O-N 3.39Å; F343-L346 VanDerWaalsContact O-N 3.13Å; F343-V347 HydrophobicContact CD1-CG2 3.96Å; F343-V347 HydrophobicContact CE1-CG2 3.6Å; F343-V347 HydrophobicContact CZ-CG2 3.91Å; F343-V347 WeakPolarHBondContact O-CG2 3.26Å; F343-V347 PolarHBondContact O-N 2.73Å; F343-F414 HydrophobicContact CD2-CE2 4.46Å; F343-F414 HydrophobicContact CE2-CE2 4.42Å; F343-L421 HydrophobicContact CE2-CD2 4.33Å; F343-L421 HydrophobicContact CZ-CB 4.43Å; F343-V423 HydrophobicContact CD1-CG2 4.39Å; F343-V423 HydrophobicContact CE1-CG2 3.45Å; F343-V423 VanDerWaalsContact CE1-CG2 3.45Å; F343-V423 HydrophobicContact CZ-CG2 3.67Å
344	W	95.1	Very high	86.7	Confident	5 Å²	5	37.5 Å²	37.5	2%	0.019	20%	0.2	C	C	.	.	H	α-helix	trans	-68.7	-32.2	-179.1	-73	112.9	0	0	0	113.3	E166 L294 D297 R299 C300 L305 S340 V341 K342 V347 R348 V423	E166-W344 PolarHBondContact OE1-NE1 2.9Å; E166-W344 WeakPolarHBondContact OE2-CZ2 3.43Å; E166-W344 PolarHBondContact OE2-NE1 3.43Å; L294-W344 HydrophobicContact CD2-CH2 3.98Å; D297-W344 HydrophobicContact CB-CH2 3.65Å; D297-W344 HydrophobicContact CB-CZ3 3.79Å; R299-W344 HydrophobicContact CB-CD2 3.73Å; R299-W344 HydrophobicContact CB-CE3 3.92Å; R299-W344 HydrophobicContact CB-CG 4.23Å; R299-W344 HydrophobicContact CB-CH2 4.29Å; R299-W344 HydrophobicContact CB-CZ2 4.14Å; R299-W344 HydrophobicContact CB-CZ3 4.18Å; R299-W344 HydrophobicContact CG-CZ2 4.49Å; C300-W344 HydrophobicContact CB-CE3 4.47Å; L305-W344 HydrophobicContact CD1-CB 3.76Å; L305-W344 HydrophobicContact CD2-CB 3.81Å; L305-W344 HydrophobicContact CG-CB 4.47Å; S340-W344 PolarHBondContact O-N 2.98Å; V341-W344 PolarHBondContact O-N 3.27Å; K342-W344 PolarHBondContact O-N 3.42Å; W344-V347 HydrophobicContact CE3-CB 4.22Å; W344-V347 HydrophobicContact CE3-CG1 4.2Å; W344-V347 HydrophobicContact CZ3-CG1 4.18Å; W344-V347 PolarHBondContact O-N 2.75Å; W344-R348 WeakPolarHBondContact O-CB 3.5Å; W344-R348 PolarHBondContact O-N 3.02Å; W344-V423 HydrophobicContact CZ2-CG2 4.21Å
345	R	95	Very high	88.7	Confident	26 Å²	26	40.8 Å²	40.8	10%	0.098	21%	0.207	C	C	.	.	H	α-helix	trans	-61.4	-43.2	169	-73.7	173	177.8	168.8	-1	111.7	L305 V341 K342 F343 R348 A349 L400 F403 D405 I406	L305-R345 HydrophobicContact CB-CG 4.34Å; L305-R345 HydrophobicContact CD2-CG 4.15Å; V341-R345 WeakPolarHBondContact O-CG 3.17Å; V341-R345 PolarHBondContact O-N 3.02Å; K342-R345 PolarHBondContact O-N 3.2Å; F343-R345 PolarHBondContact O-N 2.91Å; R345-R348 PolarHBondContact O-N 3.15Å; R345-A349 PolarHBondContact O-N 3.05Å; R345-L400 HydrophobicContact CB-CD2 4.31Å; R345-F403 HydrophobicContact CG-CE2 4.35Å; R345-F403 HydrophobicContact CG-CZ 4.38Å; R345-D405 IonicContact NH1-OD1 2.86Å; R345-D405 PolarHBondContact NH1-OD1 3.3Å; R345-D405 IonicContact NH1-OD2 3.34Å; R345-D405 PolarHBondContact NH1-OD2 3.08Å; R345-I406 HydrophobicContact CB-CD1 3.89Å
346	L	96.1	Very high	90.6	Very high	1 Å²	1	41.3 Å²	41.3	1%	0.005	21%	0.213	C	C	.	.	H	α-helix	trans	-64.8	-44.8	176.3	-70.2	161.3	0	0	0	111.7	I338 K342 F343 R348 A349 L350 L400 I406 V411 F414	I338-L346 HydrophobicContact CD1-CD1 4.3Å; I338-L346 HydrophobicContact CG2-CD1 4.05Å; K342-L346 VanDerWaalsContact O-CG 3.31Å; K342-L346 WeakPolarHBondContact O-CG 3.45Å; K342-L346 PolarHBondContact O-N 2.97Å; F343-L346 WeakPolarHBondContact O-CB 3.18Å; F343-L346 PolarHBondContact O-N 3.39Å; F343-L346 VanDerWaalsContact O-N 3.13Å; L346-R348 VanDerWaalsContact C-N 3.3Å; L346-R348 PolarHBondContact O-N 3.24Å; L346-A349 PolarHBondContact O-N 3.24Å; L346-L350 WeakPolarHBondContact O-CB 3.37Å; L346-L350 PolarHBondContact O-N 3.41Å; L346-L400 HydrophobicContact CD2-CD1 3.62Å; L346-I406 HydrophobicContact CD2-CG2 4.19Å; L346-V411 HydrophobicContact CD2-CG2 3.98Å; L346-F414 HydrophobicContact CB-CD1 4.08Å; L346-F414 HydrophobicContact CB-CD2 3.67Å; L346-F414 HydrophobicContact CB-CE1 3.99Å; L346-F414 HydrophobicContact CB-CE2 3.55Å; L346-F414 HydrophobicContact CB-CG 3.93Å; L346-F414 HydrophobicContact CB-CZ 3.72Å; L346-F414 HydrophobicContact CD1-CB 4.22Å; L346-F414 HydrophobicContact CD1-CD2 3.77Å; L346-F414 HydrophobicContact CD1-CE2 4.39Å; L346-F414 HydrophobicContact CD1-CG 4.08Å; L346-F414 HydrophobicContact CD2-CB 4.28Å; L346-F414 HydrophobicContact CD2-CD1 4.42Å; L346-F414 HydrophobicContact CD2-CG 4.19Å; L346-F414 HydrophobicContact CG-CD2 4.22Å; L346-F414 HydrophobicContact CG-CG 4.3Å
347	V	96.7	Very high	92.4	Very high	1 Å²	1	40 Å²	40	1%	0.006	20%	0.201	C	C	.	.	H	α-helix	trans	-60	-40.9	175.7	172.7	0	0	0	0	111.2	L294 L295 F343 W344 L350 R351 F414	L294-V347 HydrophobicContact CB-CG1 4.48Å; L295-V347 HydrophobicContact CD2-CG1 4.24Å; F343-V347 HydrophobicContact CD1-CG2 3.96Å; F343-V347 HydrophobicContact CE1-CG2 3.6Å; F343-V347 HydrophobicContact CZ-CG2 3.91Å; F343-V347 WeakPolarHBondContact O-CG2 3.26Å; F343-V347 PolarHBondContact O-N 2.73Å; W344-V347 HydrophobicContact CE3-CB 4.22Å; W344-V347 HydrophobicContact CE3-CG1 4.2Å; W344-V347 HydrophobicContact CZ3-CG1 4.18Å; W344-V347 PolarHBondContact O-N 2.75Å; V347-L350 WeakPolarHBondContact O-CB 3.36Å; V347-L350 PolarHBondContact O-N 2.85Å; V347-R351 PolarHBondContact O-N 3.43Å; V347-F414 HydrophobicContact CG2-CE2 4.21Å; V347-F414 HydrophobicContact CG2-CZ 3.98Å
348	R	95.3	Very high	93.4	Very high	70 Å²	70	37.4 Å²	37.4	26%	0.264	19%	0.185	S	C	.	.	H	α-helix	trans	-64.9	-46.4	175.3	-178.6	175.7	174.6	157.5	-3	112.4	C300 W344 R345 L346 L350 R351 D352	C300-R348 VanDerWaalsContact SG-CA 3.58Å; W344-R348 WeakPolarHBondContact O-CB 3.5Å; W344-R348 PolarHBondContact O-N 3.02Å; R345-R348 PolarHBondContact O-N 3.15Å; L346-R348 VanDerWaalsContact C-N 3.3Å; L346-R348 PolarHBondContact O-N 3.24Å; R348-L350 VanDerWaalsContact C-N 3.25Å; R348-L350 PolarHBondContact O-N 2.94Å; R348-R351 WeakPolarHBondContact O-CB 3.31Å; R348-R351 PolarHBondContact O-N 3.5Å; R348-D352 PolarHBondContact O-N 3.26Å
349	A	95.6	Very high	94	Very high	4 Å²	4	43.6 Å²	43.6	3%	0.033	21%	0.213	C	C	.	.	H	α-helix	trans	-60.9	-36.9	175.8	0	0	0	0	0	111.9	R345 L346 D352 F353 R399 L400	R345-A349 PolarHBondContact O-N 3.05Å; L346-A349 PolarHBondContact O-N 3.24Å; A349-D352 PolarHBondContact O-N 3.31Å; A349-F353 WeakPolarHBondContact O-CB 3.21Å; A349-F353 PolarHBondContact O-N 2.79Å; A349-R399 HydrophobicContact CB-CB 4.35Å; A349-L400 HydrophobicContact CB-CD1 4.03Å; A349-L400 HydrophobicContact CB-CD2 3.9Å; A349-L400 HydrophobicContact CB-CG 3.96Å
350	L	97.3	Very high	94.4	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-63.7	-45.3	173.3	176.2	64.2	0	0	0	111.9	L295 L346 V347 R348 D352 F353 I354 L362 P363 L396 F414 A418 L421	L295-L350 HydrophobicContact CD2-CD2 4.28Å; L295-L350 HydrophobicContact CD2-CG 4.3Å; L346-L350 WeakPolarHBondContact O-CB 3.37Å; L346-L350 PolarHBondContact O-N 3.41Å; V347-L350 WeakPolarHBondContact O-CB 3.36Å; V347-L350 PolarHBondContact O-N 2.85Å; R348-L350 VanDerWaalsContact C-N 3.25Å; R348-L350 PolarHBondContact O-N 2.94Å; L350-D352 VanDerWaalsContact C-N 3.28Å; L350-D352 PolarHBondContact O-N 3.22Å; L350-F353 HydrophobicContact CD1-CD1 4.46Å; L350-F353 WeakPolarHBondContact O-CB 3.26Å; L350-F353 PolarHBondContact O-N 3.12Å; L350-I354 HydrophobicContact CD1-CD1 4.2Å; L350-I354 HydrophobicContact CD1-CG1 4.27Å; L350-I354 HydrophobicContact CG-CD1 3.93Å; L350-I354 HydrophobicContact CG-CG1 4.46Å; L350-I354 WeakPolarHBondContact O-CD1 3.42Å; L350-I354 WeakPolarHBondContact O-CG1 3.42Å; L350-I354 PolarHBondContact O-N 3.34Å; L350-L362 HydrophobicContact CD1-CD2 4.02Å; L350-L362 HydrophobicContact CD2-CD2 3.9Å; L350-L362 HydrophobicContact CG-CD2 4.26Å; L350-P363 HydrophobicContact CD1-CG 3.97Å; L350-L396 HydrophobicContact CB-CD2 4.43Å; L350-F414 HydrophobicContact CB-CE1 3.91Å; L350-F414 HydrophobicContact CB-CZ 4.42Å; L350-F414 HydrophobicContact CD2-CE1 3.82Å; L350-F414 HydrophobicContact CD2-CZ 4.06Å; L350-F414 HydrophobicContact CG-CE1 4.34Å; L350-A418 HydrophobicContact CD2-CB 4.43Å; L350-L421 HydrophobicContact CD2-CD1 4.02Å
351	R	95.9	Very high	94.7	Very high	65 Å²	65	41.7 Å²	41.7	25%	0.245	21%	0.205	C	C	.	.	H	α-helix	trans	-57.4	-44	175.4	-170.9	175.1	68	178.2	2	111.7	L295 C300 N301 V347 R348 I354 K355	L295-R351 HydrophobicContact CD2-CB 3.83Å; L295-R351 HydrophobicContact CD2-CG 4.38Å; L295-R351 WeakPolarHBondContact O-CD 2.89Å; L295-R351 PolarHBondContact O-NH1 3.46Å; C300-R351 PolarHBondContact O-NH2 3.46Å; C300-R351 PolarHBondContact SG-NH1 3.36Å; N301-R351 VanDerWaalsContact OD1-CZ 3.29Å; N301-R351 PolarHBondContact OD1-NH1 2.85Å; N301-R351 PolarHBondContact OD1-NH2 2.89Å; V347-R351 PolarHBondContact O-N 3.43Å; R348-R351 WeakPolarHBondContact O-CB 3.31Å; R348-R351 PolarHBondContact O-N 3.5Å; R351-I354 PolarHBondContact O-N 2.61Å; R351-K355 PolarHBondContact O-N 2.8Å
352	D	94.5	Very high	95.1	Very high	54 Å²	54	39 Å²	39	29%	0.289	19%	0.188	S	C	.	.	H	α-helix	trans	-67.7	-38.4	177.5	-70.3	-19.6	0	0	0	112	R348 A349 L350 K355 H356	R348-D352 PolarHBondContact O-N 3.26Å; A349-D352 PolarHBondContact O-N 3.31Å; L350-D352 VanDerWaalsContact C-N 3.28Å; L350-D352 PolarHBondContact O-N 3.22Å; D352-K355 PolarHBondContact O-N 2.86Å; D352-H356 PolarHBondContact O-N 3.05Å; D352-H356 VanDerWaalsContact O-N 3.15Å; D352-H356 PolarHBondContact O-ND1 3.42Å
353	F	97.3	Very high	95.3	Very high	3 Å²	3	38.2 Å²	38.2	1%	0.013	19%	0.186	C	C	.	.	H	α-helix	trans	-60.4	-50.3	173	168.5	-92.8	0	0	0	111.4	A349 L350 K355 H356 E357 G358 P363 W391 A392 R395 L396	A349-F353 WeakPolarHBondContact O-CB 3.21Å; A349-F353 PolarHBondContact O-N 2.79Å; L350-F353 HydrophobicContact CD1-CD1 4.46Å; L350-F353 WeakPolarHBondContact O-CB 3.26Å; L350-F353 PolarHBondContact O-N 3.12Å; F353-K355 PolarHBondContact O-N 2.87Å; F353-H356 PolarHBondContact O-N 3.01Å; F353-E357 HydrophobicContact CD2-CB 4.27Å; F353-E357 HydrophobicContact CE2-CB 4.27Å; F353-E357 PolarHBondContact O-N 2.99Å; F353-G358 PolarHBondContact O-N 3.39Å; F353-P363 HydrophobicContact CE1-CB 3.87Å; F353-P363 HydrophobicContact CE1-CG 4.43Å; F353-P363 HydrophobicContact CZ-CB 4.13Å; F353-W391 HydrophobicContact CE2-CE3 4.31Å; F353-W391 AromaticContact CE2-CH2 3.88Å; F353-W391 HydrophobicContact CE2-CH2 3.88Å; F353-W391 AromaticContact CE2-CZ3 3.56Å; F353-W391 HydrophobicContact CE2-CZ3 3.56Å; F353-W391 HydrophobicContact CZ-CE3 4.5Å; F353-W391 HydrophobicContact CZ-CH2 4.27Å; F353-W391 AromaticContact CZ-CZ3 3.67Å; F353-W391 HydrophobicContact CZ-CZ3 3.67Å; F353-A392 HydrophobicContact CE2-CB 3.92Å; F353-A392 HydrophobicContact CZ-CB 3.81Å; F353-R395 HydrophobicContact CD2-CB 4.04Å; F353-R395 HydrophobicContact CE2-CB 4.29Å; F353-L396 HydrophobicContact CB-CD1 3.74Å; F353-L396 HydrophobicContact CB-CG 4.42Å; F353-L396 HydrophobicContact CD1-CD1 4.23Å; F353-L396 HydrophobicContact CD2-CD1 3.65Å; F353-L396 HydrophobicContact CE2-CD1 4.29Å; F353-L396 HydrophobicContact CG-CD1 3.6Å
354	I	96.8	Very high	95.3	Very high	17 Å²	17	38.4 Å²	38.4	9%	0.087	19%	0.186	C	C	.	.	H	α-helix	trans	-54.4	-41.8	179.9	-69.2	163.1	0	0	0	110.7	I287 L295 L350 R351 G360 Q361 L362	I287-I354 HydrophobicContact CD1-CD1 4.12Å; I287-I354 HydrophobicContact CD1-CG2 4.15Å; L295-I354 HydrophobicContact CD1-CD1 3.54Å; L295-I354 HydrophobicContact CD2-CD1 3.96Å; L295-I354 HydrophobicContact CG-CD1 4.43Å; L350-I354 HydrophobicContact CD1-CD1 4.2Å; L350-I354 HydrophobicContact CD1-CG1 4.27Å; L350-I354 HydrophobicContact CG-CD1 3.93Å; L350-I354 HydrophobicContact CG-CG1 4.46Å; L350-I354 WeakPolarHBondContact O-CD1 3.42Å; L350-I354 WeakPolarHBondContact O-CG1 3.42Å; L350-I354 PolarHBondContact O-N 3.34Å; R351-I354 PolarHBondContact O-N 2.61Å; I354-G360 PolarHBondContact O-N 2.91Å; I354-Q361 WeakPolarHBondContact CG1-O 3.3Å; I354-L362 HydrophobicContact CD1-CD2 3.86Å; I354-L362 HydrophobicContact CG1-CD2 4.48Å
355	K	94.8	Very high	95.3	Very high	162 Å²	162	40.2 Å²	40.2	70%	0.704	19%	0.193	S	C	*	.	H	α-helix	trans	-72.3	-39.1	-176.6	-174.7	177.1	177	-175.7	0	113.7	R351 D352 F353	R351-K355 PolarHBondContact O-N 2.8Å; D352-K355 PolarHBondContact O-N 2.86Å; F353-K355 PolarHBondContact O-N 2.87Å
356	H	95.2	Very high	95.2	Very high	117 Å²	117	39.5 Å²	39.5	54%	0.542	19%	0.194	S	C	.	.	H	α-helix	trans	-107.3	-33.8	-168.1	-54.7	102	0	0	0	114.2	D352 F353	D352-H356 PolarHBondContact O-N 3.05Å; D352-H356 VanDerWaalsContact O-N 3.15Å; D352-H356 PolarHBondContact O-ND1 3.42Å; F353-H356 PolarHBondContact O-N 3.01Å
357	E	94.3	Very high	95.1	Very high	50 Å²	50	41.6 Å²	41.6	23%	0.234	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-127.2	-21.5	-177.6	-54.9	100.9	137	0	0	114.3	F353 E359 W391 R399	F353-E357 HydrophobicContact CD2-CB 4.27Å; F353-E357 HydrophobicContact CE2-CB 4.27Å; F353-E357 PolarHBondContact O-N 2.99Å; E357-E359 VanDerWaalsContact C-N 3.3Å; E357-E359 PolarHBondContact O-N 3.07Å; E357-W391 HydrophobicContact CB-CH2 3.8Å; E357-W391 HydrophobicContact CB-CZ2 4.14Å; E357-R399 IonicContact OE1-CZ 3.2Å; E357-R399 IonicContact OE1-NH1 3.94Å; E357-R399 PolarHBondContact OE1-NH1 3.35Å; E357-R399 IonicContact OE1-NH2 3.8Å; E357-R399 PolarHBondContact OE1-NH2 2.89Å; E357-R399 IonicContact OE2-CZ 3.66Å; E357-R399 IonicContact OE2-NH1 2.8Å; E357-R399 IonicContact OE2-NH2 3.28Å; E357-R399 PolarHBondContact OE2-NH2 2.68Å
358	G	91.9	Very high	95	Very high	7 Å²	7	42.4 Å²	42.4	7%	0.072	21%	0.213	C	C	.	.	S	Bend	trans	-82.2	-3.6	-178	0	0	0	0	0	114.3	F353 G360 Q361	F353-G358 PolarHBondContact O-N 3.39Å; G358-G360 PolarHBondContact O-N 2.87Å; G358-Q361 WeakPolarHBondContact O-CA 3.37Å; G358-Q361 WeakPolarHBondContact O-CB 3.44Å; G358-Q361 PolarHBondContact O-N 2.78Å
359	E	92	Very high	94.9	Very high	147 Å²	147	41.3 Å²	41.3	69%	0.687	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.9	39.8	-179	-59.8	177	-169.9	0	0	113	R185 E357 Q361	R185-E359 PolarHBondContact NH1-O 2.91Å; R185-E359 VanDerWaalsContact NH1-O 3.15Å; E357-E359 VanDerWaalsContact C-N 3.3Å; E357-E359 PolarHBondContact O-N 3.07Å; E359-Q361 VanDerWaalsContact C-N 3.31Å; E359-Q361 PolarHBondContact O-N 2.77Å
360	G	93.7	Very high	94.8	Very high	41 Å²	41	47.5 Å²	47.5	42%	0.423	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	76.9	13.1	-176.9	0	0	0	0	0	114.5	I354 G358	I354-G360 PolarHBondContact O-N 2.91Å; G358-G360 PolarHBondContact O-N 2.87Å
361	Q	94.6	Very high	94.7	Very high	13 Å²	13	48 Å²	48	6%	0.061	25%	0.25	C	C	.	.	S	Bend	trans	-120.7	154.9	-179.1	-58.7	-63.7	-17.7	0	0	112.6	R185 T285 I354 G358 E359	R185-Q361 VanDerWaalsContact CZ-NE2 3.32Å; R185-Q361 VanDerWaalsContact NH1-NE2 3.16Å; T285-Q361 HydrophobicContact CG2-CG 4.31Å; T285-Q361 VanDerWaalsContact CG2-OE1 3.27Å; T285-Q361 PolarHBondContact O-NE2 2.93Å; T285-Q361 PolarHBondContact O-OE1 3.35Å; I354-Q361 WeakPolarHBondContact CG1-O 3.3Å; G358-Q361 WeakPolarHBondContact O-CA 3.37Å; G358-Q361 WeakPolarHBondContact O-CB 3.44Å; G358-Q361 PolarHBondContact O-N 2.78Å; E359-Q361 VanDerWaalsContact C-N 3.31Å; E359-Q361 PolarHBondContact O-N 2.77Å
362	L	97.4	Very high	94.7	Very high	12 Å²	12	47.9 Å²	47.9	6%	0.063	25%	0.253	C	S	.	.	P	Polyproline II helix	trans	-62.1	158.3	168.8	-67.9	175.7	0	0	0	111	R182 I287 V291 L350 I354 A418	R182-L362 PolarHBondContact NH2-O 3.22Å; I287-L362 HydrophobicContact CG1-CG 4.21Å; I287-L362 HydrophobicContact CG2-CD1 4.24Å; I287-L362 HydrophobicContact CG2-CD2 4.48Å; I287-L362 HydrophobicContact CG2-CG 4.31Å; V291-L362 HydrophobicContact CG1-CD1 4.38Å; V291-L362 HydrophobicContact CG1-CD2 4.06Å; L350-L362 HydrophobicContact CD1-CD2 4.02Å; L350-L362 HydrophobicContact CD2-CD2 3.9Å; L350-L362 HydrophobicContact CG-CD2 4.26Å; I354-L362 HydrophobicContact CD1-CD2 3.86Å; I354-L362 HydrophobicContact CG1-CD2 4.48Å; L362-A418 HydrophobicContact CD2-CB 4.45Å
363	P	97.2	Very high	94.8	Very high	8 Å²	8	46.5 Å²	46.5	5%	0.052	25%	0.248	C	C	.	.	P	Polyproline II helix	trans	-65.1	151.8	169	31.4	-37.4	0	0	0	110.5	L350 F353 A392 V415 A418	L350-P363 HydrophobicContact CD1-CG 3.97Å; F353-P363 HydrophobicContact CE1-CB 3.87Å; F353-P363 HydrophobicContact CE1-CG 4.43Å; F353-P363 HydrophobicContact CZ-CB 4.13Å; P363-A392 HydrophobicContact CB-CB 3.46Å; P363-A392 VanDerWaalsContact CB-CB 3.46Å; P363-V415 HydrophobicContact CB-CG1 3.88Å; P363-V415 HydrophobicContact CG-CB 4.43Å; P363-V415 HydrophobicContact CG-CG1 3.99Å; P363-V415 HydrophobicContact CG-CG2 4.24Å; P363-A418 HydrophobicContact CG-CB 3.88Å
364	V	95.3	Very high	94.7	Very high	3 Å²	3	48.4 Å²	48.4	2%	0.018	26%	0.258	C	S	.	.	P	Polyproline II helix	trans	-78.1	139.4	-177.3	179.6	0	0	0	0	109.1	R182 F187 G366 Y385 R388 S389	R182-V364 HydrophobicContact CG-CG2 4.26Å; F187-V364 HydrophobicContact CE1-CG2 3.75Å; F187-V364 HydrophobicContact CE2-CG2 4.48Å; F187-V364 HydrophobicContact CZ-CB 4.27Å; F187-V364 HydrophobicContact CZ-CG1 4.06Å; F187-V364 HydrophobicContact CZ-CG2 3.37Å; V364-G366 VanDerWaalsContact C-N 3.26Å; V364-G366 PolarHBondContact O-N 2.97Å; V364-Y385 HydrophobicContact CG1-CD1 3.82Å; V364-R388 HydrophobicContact CB-CG 4.28Å; V364-R388 HydrophobicContact CG2-CG 3.91Å; V364-S389 VanDerWaalsContact O-CB 3.27Å; V364-S389 WeakPolarHBondContact O-CB 3.41Å; V364-S389 PolarHBondContact O-OG 3.45Å
365	R	93.6	Very high	94.7	Very high	44 Å²	44	52.1 Å²	52.1	17%	0.166	29%	0.285	C	S	.	.			trans	-63.8	-26.4	-177.3	-174.2	167.6	-161	-174.5	5	114.7	Y177 K416 F420	Y177-R365 VanDerWaalsContact CE1-NH1 3.29Å; Y177-R365 PolarHBondContact OH-NH1 3.31Å; R365-K416 WeakPolarHBondContact CD-O 3.26Å; R365-K416 HydrophobicContact CG-CG 4.18Å; R365-K416 WeakPolarHBondContact CG-O 3.4Å; R365-K416 PolarHBondContact NE-O 3.29Å; R365-K416 VanDerWaalsContact NE-O 3.1Å; R365-F420 VanDerWaalsContact NH1-CE2 3.32Å
366	G	93.4	Very high	94.7	Very high	10 Å²	10	51.5 Å²	51.5	10%	0.103	28%	0.283	C	S	.	.			trans	79.4	12.2	-179.2	0	0	0	0	0	115.4	V364 Y385 R386	V364-G366 VanDerWaalsContact C-N 3.26Å; V364-G366 PolarHBondContact O-N 2.97Å; G366-Y385 WeakPolarHBondContact CA-O 3.36Å; G366-R386 VanDerWaalsContact O-CG 3.28Å; G366-R386 WeakPolarHBondContact O-CG 3.32Å
367	S	93.9	Very high	94.7	Very high	45 Å²	45	46.8 Å²	46.8	32%	0.315	26%	0.26	S	S	.	.			trans	-117.7	147.1	177.1	60.4	0	0	0	0	111.5
368	L	94.8	Very high	94.8	Very high	19 Å²	19	46.6 Å²	46.6	10%	0.099	26%	0.258	C	S	.	.			trans	-121.5	150.6	172.7	-68.3	173.5	0	0	0	110.3	L181 L213 M371 L381 L382 Y385	L181-L368 HydrophobicContact CD2-CD2 3.62Å; L213-L368 HydrophobicContact CD2-CD2 4.26Å; L368-M371 HydrophobicContact CB-CE 4.48Å; L368-L381 HydrophobicContact CD1-CB 4.26Å; L368-L381 HydrophobicContact CD1-CD2 3.91Å; L368-L381 HydrophobicContact CD1-CG 3.58Å; L368-L382 HydrophobicContact CB-CD1 4.42Å; L368-L382 HydrophobicContact CD1-CB 4.41Å; L368-L382 HydrophobicContact CD1-CD1 4.48Å; L368-L382 HydrophobicContact CG-CD1 4.43Å; L368-Y385 HydrophobicContact CD1-CD2 3.8Å; L368-Y385 HydrophobicContact CD1-CE2 4.14Å; L368-Y385 HydrophobicContact CD1-CG 4.32Å; L368-Y385 HydrophobicContact CD2-CD1 3.93Å; L368-Y385 HydrophobicContact CD2-CD2 3.87Å; L368-Y385 HydrophobicContact CD2-CE1 3.9Å; L368-Y385 HydrophobicContact CD2-CE2 3.83Å; L368-Y385 HydrophobicContact CD2-CG 3.93Å; L368-Y385 HydrophobicContact CG-CD2 4.08Å; L368-Y385 HydrophobicContact CG-CE2 4.45Å; L368-Y385 HydrophobicContact CG-CG 4.14Å
369	P	94.5	Very high	95.1	Very high	46 Å²	46	51.2 Å²	51.2	30%	0.299	28%	0.28	S	S	.	.			trans	-66.4	158.2	169.4	30.7	-34.5	0	0	0	110.4	P179 W212 M371	P179-P369 HydrophobicContact CG-CG 4.49Å; W212-P369 HydrophobicContact CZ2-CG 4.07Å; P369-M371 HydrophobicContact CG-CE 4.2Å; P369-M371 VanDerWaalsContact O-CE 3.24Å; P369-M371 WeakPolarHBondContact O-CE 3.41Å
370	D	93.2	Very high	95.3	Very high	135 Å²	135	48 Å²	48	72%	0.722	27%	0.265	S	S	*	.			trans	-63	151.7	169.3	-163.8	22.5	0	0	0	110.5
371	M	95.5	Very high	95.5	Very high	10 Å²	10	46 Å²	46	5%	0.049	25%	0.245	C	C	.	.			trans	-161.1	149.6	-177.6	56.9	-170.5	77.3	0	0	113.1	P211 W212 L213 E273 L368 P369 S373 Y378 L381	P211-M371 HydrophobicContact CB-SD 3.66Å; W212-M371 HydrophobicContact CG-CB 4.35Å; L213-M371 HydrophobicContact CB-SD 4.44Å; E273-M371 WeakPolarHBondContact OE1-CA 2.99Å; L368-M371 HydrophobicContact CB-CE 4.48Å; P369-M371 HydrophobicContact CG-CE 4.2Å; P369-M371 VanDerWaalsContact O-CE 3.24Å; P369-M371 WeakPolarHBondContact O-CE 3.41Å; M371-S373 PolarHBondContact O-N 2.81Å; M371-S373 PolarHBondContact O-OG 2.78Å; M371-Y378 HydrophobicContact CE-CE2 4.25Å; M371-Y378 HydrophobicContact CG-CD2 3.74Å; M371-Y378 HydrophobicContact CG-CE2 3.86Å; M371-Y378 HydrophobicContact SD-CD2 4.26Å; M371-Y378 HydrophobicContact SD-CE2 4.4Å; M371-L381 HydrophobicContact SD-CD2 4.18Å
372	I	95.5	Very high	95.6	Very high	62 Å²	62	46.1 Å²	46.1	32%	0.318	25%	0.246	S	C	.	.	S	Bend	trans	-63.4	107.7	174.6	-60	172.1	0	0	0	108.8	E269 N270 E273	E269-I372 HydrophobicContact CB-CD1 3.73Å; N270-I372 HydrophobicContact CB-CB 4.17Å; N270-I372 HydrophobicContact CB-CG2 4.1Å; E273-I372 WeakPolarHBondContact OE2-CB 3.41Å; E273-I372 WeakPolarHBondContact OE2-CG1 3.31Å; E273-I372 PolarHBondContact OE2-N 3.22Å
373	S	96.1	Very high	95.6	Very high	26 Å²	26	47.6 Å²	47.6	18%	0.182	26%	0.257	C	S	.	.			trans	-164.8	164.9	179.8	58.4	0	0	0	0	113	H209 M371 Y378	H209-S373 CarbonylContact O-C 3.43Å; H209-S373 WeakPolarHBondContact O-CA 3.36Å; M371-S373 PolarHBondContact O-N 2.81Å; M371-S373 PolarHBondContact O-OG 2.78Å; S373-Y378 WeakPolarHBondContact OG-CB 3.45Å
374	D	95.3	Very high	95.6	Very high	43 Å²	43	48 Å²	48	23%	0.23	26%	0.259	C	S	.	.			trans	-77	150.9	167.4	69.1	87.9	0	0	0	110.9	H209 K376 R377 Y378	H209-D374 HydrophobicContact CB-CB 4.02Å; H209-D374 PolarHBondContact O-N 3.25Å; H209-D374 VanDerWaalsContact O-N 3.07Å; D374-K376 PolarHBondContact O-N 3.39Å; D374-K376 VanDerWaalsContact O-N 3.16Å; D374-K376 WeakPolarHBondContact OD1-CA 3.44Å; D374-K376 WeakPolarHBondContact OD1-CB 3.33Å; D374-K376 PolarHBondContact OD1-N 2.9Å; D374-R377 PolarHBondContact O-N 3.11Å; D374-R377 PolarHBondContact OD1-N 2.63Å; D374-R377 IonicContact OD2-CZ 3.22Å; D374-R377 IonicContact OD2-NE 2.83Å; D374-R377 PolarHBondContact OD2-NE 3.05Å; D374-R377 IonicContact OD2-NH2 2.61Å; D374-R377 PolarHBondContact OD2-NH2 3.09Å; D374-Y378 WeakPolarHBondContact O-CB 3.39Å; D374-Y378 PolarHBondContact O-N 3.01Å
375	S	95.8	Very high	95.8	Very high	94 Å²	94	48 Å²	48	66%	0.657	26%	0.259	S	S	*	.	H	α-helix	trans	-59.7	-31.7	-176	-47.9	0	0	0	0	113	L379	S375-L379 VanDerWaalsContact O-CB 3.24Å; S375-L379 WeakPolarHBondContact O-CB 2.92Å; S375-L379 WeakPolarHBondContact O-CD1 3.28Å; S375-L379 WeakPolarHBondContact O-CG 3.3Å; S375-L379 PolarHBondContact O-N 3.45Å
376	K	95.6	Very high	96	Very high	150 Å²	150	52.8 Å²	52.8	65%	0.652	28%	0.277	S	S	*	.	H	α-helix	trans	-69.9	-51.3	-177	-178	-175.4	176	-174.1	0	110.5	D374 L379 Q380	D374-K376 PolarHBondContact O-N 3.39Å; D374-K376 VanDerWaalsContact O-N 3.16Å; D374-K376 WeakPolarHBondContact OD1-CA 3.44Å; D374-K376 WeakPolarHBondContact OD1-CB 3.33Å; D374-K376 PolarHBondContact OD1-N 2.9Å; K376-L379 PolarHBondContact O-N 3.43Å; K376-Q380 WeakPolarHBondContact O-CG 3.27Å; K376-Q380 PolarHBondContact O-N 2.83Å
377	R	95.4	Very high	96.2	Very high	17 Å²	17	57.6 Å²	57.6	6%	0.064	30%	0.297	C	S	.	.	H	α-helix	trans	-66.6	-40.2	178.3	-79.8	-175	-71.3	-178.5	-3.3	111.9	M193 Q206 H209 T210 P211 D374 L379 Q380 L381	M193-R377 HydrophobicContact CE-CB 4.12Å; M193-R377 HydrophobicContact CE-CG 4.22Å; M193-R377 WeakPolarHBondContact CE-O 3.34Å; Q206-R377 VanDerWaalsContact O-CZ 3.29Å; Q206-R377 PolarHBondContact O-NH1 3.43Å; Q206-R377 PolarHBondContact O-NH2 3.31Å; H209-R377 PolarHBondContact O-NH2 3.28Å; T210-R377 PolarHBondContact OG1-NH1 3.11Å; P211-R377 HydrophobicContact CG-CB 3.91Å; D374-R377 PolarHBondContact O-N 3.11Å; D374-R377 PolarHBondContact OD1-N 2.63Å; D374-R377 IonicContact OD2-CZ 3.22Å; D374-R377 IonicContact OD2-NE 2.83Å; D374-R377 PolarHBondContact OD2-NE 3.05Å; D374-R377 IonicContact OD2-NH2 2.61Å; D374-R377 PolarHBondContact OD2-NH2 3.09Å; R377-L379 PolarHBondContact O-N 2.61Å; R377-Q380 PolarHBondContact O-N 2.81Å; R377-L381 WeakPolarHBondContact O-CB 3.49Å; R377-L381 PolarHBondContact O-N 2.83Å
378	Y	97.1	Very high	96.3	Very high	47 Å²	47	59 Å²	59	18%	0.184	30%	0.295	C	S	.	.	H	α-helix	trans	-59.9	-47.5	175.7	-175.3	-104.9	0	0	0	112.4	M371 S373 D374 Q380 L381 L382	M371-Y378 HydrophobicContact CE-CE2 4.25Å; M371-Y378 HydrophobicContact CG-CD2 3.74Å; M371-Y378 HydrophobicContact CG-CE2 3.86Å; M371-Y378 HydrophobicContact SD-CD2 4.26Å; M371-Y378 HydrophobicContact SD-CE2 4.4Å; S373-Y378 WeakPolarHBondContact OG-CB 3.45Å; D374-Y378 WeakPolarHBondContact O-CB 3.39Å; D374-Y378 PolarHBondContact O-N 3.01Å; Y378-Q380 PolarHBondContact O-N 2.89Å; Y378-L381 PolarHBondContact O-N 2.77Å; Y378-L382 HydrophobicContact CE1-CD2 4.2Å; Y378-L382 WeakPolarHBondContact O-CB 3.21Å; Y378-L382 PolarHBondContact O-N 3.15Å
379	L	96.9	Very high	96.4	Very high	104 Å²	104	58.6 Å²	58.6	55%	0.545	29%	0.294	S	S	.	.	H	α-helix	trans	-67.2	-35.9	-179.6	-71.2	172.6	0	0	0	112.6	S375 K376 R377 S383	S375-L379 VanDerWaalsContact O-CB 3.24Å; S375-L379 WeakPolarHBondContact O-CB 2.92Å; S375-L379 WeakPolarHBondContact O-CD1 3.28Å; S375-L379 WeakPolarHBondContact O-CG 3.3Å; S375-L379 PolarHBondContact O-N 3.45Å; K376-L379 PolarHBondContact O-N 3.43Å; R377-L379 PolarHBondContact O-N 2.61Å; L379-S383 WeakPolarHBondContact O-CB 3.35Å; L379-S383 PolarHBondContact O-N 3.44Å; L379-S383 PolarHBondContact O-OG 3.21Å
380	Q	96.7	Very high	96.6	Very high	78 Å²	78	59.7 Å²	59.7	36%	0.364	30%	0.295	S	S	.	.	H	α-helix	trans	-64	-43.7	172.2	-77.9	-179.2	-26.2	0	0	111.9	M193 K376 R377 Y378 S383 I384	M193-Q380 HydrophobicContact CE-CB 4.05Å; M193-Q380 HydrophobicContact SD-CB 4.3Å; K376-Q380 WeakPolarHBondContact O-CG 3.27Å; K376-Q380 PolarHBondContact O-N 2.83Å; R377-Q380 PolarHBondContact O-N 2.81Å; Y378-Q380 PolarHBondContact O-N 2.89Å; Q380-S383 WeakPolarHBondContact CA-OG 3.42Å; Q380-S383 PolarHBondContact O-N 3.21Å; Q380-S383 PolarHBondContact O-OG 3.24Å; Q380-I384 WeakPolarHBondContact O-CG1 3.4Å; Q380-I384 PolarHBondContact O-N 3.44Å
381	L	96.9	Very high	96.8	Very high	0 Å²	0	56.3 Å²	56.3	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-62.7	-47.7	176.5	-174	62.5	0	0	0	110.4	F190 M193 P211 L213 L368 M371 R377 Y378 S383 I384 Y385	F190-L381 HydrophobicContact CD2-CD1 3.41Å; F190-L381 VanDerWaalsContact CD2-CD1 3.41Å; F190-L381 HydrophobicContact CE2-CD1 3.5Å; F190-L381 VanDerWaalsContact CE2-CD1 3.5Å; M193-L381 HydrophobicContact CE-CB 4.28Å; M193-L381 HydrophobicContact SD-CB 4.3Å; M193-L381 HydrophobicContact SD-CD1 4.27Å; P211-L381 HydrophobicContact CB-CD2 4.14Å; L213-L381 HydrophobicContact CB-CD2 4.12Å; L213-L381 HydrophobicContact CD2-CD1 4.2Å; L213-L381 HydrophobicContact CD2-CD2 3.83Å; L213-L381 HydrophobicContact CD2-CG 4.36Å; L368-L381 HydrophobicContact CD1-CB 4.26Å; L368-L381 HydrophobicContact CD1-CD2 3.91Å; L368-L381 HydrophobicContact CD1-CG 3.58Å; M371-L381 HydrophobicContact SD-CD2 4.18Å; R377-L381 WeakPolarHBondContact O-CB 3.49Å; R377-L381 PolarHBondContact O-N 2.83Å; Y378-L381 PolarHBondContact O-N 2.77Å; L381-S383 VanDerWaalsContact C-N 3.3Å; L381-S383 PolarHBondContact O-N 3.26Å; L381-I384 PolarHBondContact O-N 2.88Å; L381-Y385 HydrophobicContact CD1-CE2 3.99Å; L381-Y385 HydrophobicContact CG-CE2 4.39Å; L381-Y385 WeakPolarHBondContact O-CD2 3.42Å; L381-Y385 PolarHBondContact O-N 2.91Å
382	L	97.4	Very high	96.9	Very high	15 Å²	15	55.9 Å²	55.9	8%	0.079	27%	0.27	C	S	.	.	H	α-helix	trans	-60.8	-36.8	177	-177.4	60	0	0	0	112.5	L368 Y378 Y385 R386	L368-L382 HydrophobicContact CB-CD1 4.42Å; L368-L382 HydrophobicContact CD1-CB 4.41Å; L368-L382 HydrophobicContact CD1-CD1 4.48Å; L368-L382 HydrophobicContact CG-CD1 4.43Å; Y378-L382 HydrophobicContact CE1-CD2 4.2Å; Y378-L382 WeakPolarHBondContact O-CB 3.21Å; Y378-L382 PolarHBondContact O-N 3.15Å; L382-Y385 PolarHBondContact O-N 3.18Å; L382-R386 HydrophobicContact CD1-CG 4.31Å; L382-R386 HydrophobicContact CG-CG 4.41Å; L382-R386 WeakPolarHBondContact O-CB 3.21Å; L382-R386 WeakPolarHBondContact O-CG 3.43Å; L382-R386 PolarHBondContact O-N 3.39Å
383	S	97.9	Very high	97	Very high	44 Å²	44	53 Å²	53	31%	0.308	26%	0.256	S	S	.	.	H	α-helix	trans	-64.6	-38.8	177.5	63.9	0	0	0	0	112.1	L379 Q380 L381 Y385 R386 E387	L379-S383 WeakPolarHBondContact O-CB 3.35Å; L379-S383 PolarHBondContact O-N 3.44Å; L379-S383 PolarHBondContact O-OG 3.21Å; Q380-S383 WeakPolarHBondContact CA-OG 3.42Å; Q380-S383 PolarHBondContact O-N 3.21Å; Q380-S383 PolarHBondContact O-OG 3.24Å; L381-S383 VanDerWaalsContact C-N 3.3Å; L381-S383 PolarHBondContact O-N 3.26Å; S383-Y385 PolarHBondContact O-N 3.42Å; S383-R386 PolarHBondContact O-N 3.18Å; S383-E387 WeakPolarHBondContact O-CB 3.3Å; S383-E387 VanDerWaalsContact O-CG 3.29Å; S383-E387 WeakPolarHBondContact O-CG 3.13Å; S383-E387 PolarHBondContact O-N 2.98Å
384	I	97.9	Very high	97.1	Very high	17 Å²	17	56.2 Å²	56.2	9%	0.087	27%	0.267	C	S	.	.	H	α-helix	trans	-58.9	-47.6	177	-66.1	163.2	0	0	0	110.9	F187 D189 F190 M193 Q380 L381 R388	F187-I384 HydrophobicContact CB-CG2 4.43Å; F187-I384 HydrophobicContact CD2-CG2 3.97Å; D189-I384 HydrophobicContact CB-CD1 4.39Å; D189-I384 HydrophobicContact CB-CG1 4.14Å; D189-I384 HydrophobicContact CB-CG2 4.16Å; F190-I384 HydrophobicContact CB-CG2 4.28Å; M193-I384 HydrophobicContact CB-CD1 4.18Å; M193-I384 HydrophobicContact SD-CD1 3.87Å; Q380-I384 WeakPolarHBondContact O-CG1 3.4Å; Q380-I384 PolarHBondContact O-N 3.44Å; L381-I384 PolarHBondContact O-N 2.88Å; I384-R388 PolarHBondContact O-N 2.91Å
385	Y	97.9	Very high	97.2	Very high	2 Å²	2	58.9 Å²	58.9	1%	0.008	27%	0.274	C	S	.	.	H	α-helix	trans	-67.3	-40.3	179.1	-76.8	-102.7	0	0	0	111.8	D180 L181 F187 L213 V364 G366 L368 L381 L382 S383 R388 S389	D180-Y385 WeakPolarHBondContact O-CE1 3.18Å; L181-Y385 PolarHBondContact O-OH 3.42Å; F187-Y385 AromaticContact CE2-CD1 3.83Å; F187-Y385 HydrophobicContact CE2-CD1 3.83Å; F187-Y385 AromaticContact CE2-CE1 3.66Å; F187-Y385 HydrophobicContact CE2-CE1 3.66Å; F187-Y385 HydrophobicContact CE2-CE2 4.39Å; F187-Y385 HydrophobicContact CE2-CG 4.25Å; F187-Y385 AromaticContact CE2-CZ 3.97Å; F187-Y385 HydrophobicContact CZ-CE1 4.35Å; L213-Y385 HydrophobicContact CD2-CE2 4.21Å; V364-Y385 HydrophobicContact CG1-CD1 3.82Å; G366-Y385 WeakPolarHBondContact CA-O 3.36Å; L368-Y385 HydrophobicContact CD1-CD2 3.8Å; L368-Y385 HydrophobicContact CD1-CE2 4.14Å; L368-Y385 HydrophobicContact CD1-CG 4.32Å; L368-Y385 HydrophobicContact CD2-CD1 3.93Å; L368-Y385 HydrophobicContact CD2-CD2 3.87Å; L368-Y385 HydrophobicContact CD2-CE1 3.9Å; L368-Y385 HydrophobicContact CD2-CE2 3.83Å; L368-Y385 HydrophobicContact CD2-CG 3.93Å; L368-Y385 HydrophobicContact CG-CD2 4.08Å; L368-Y385 HydrophobicContact CG-CE2 4.45Å; L368-Y385 HydrophobicContact CG-CG 4.14Å; L381-Y385 HydrophobicContact CD1-CE2 3.99Å; L381-Y385 HydrophobicContact CG-CE2 4.39Å; L381-Y385 WeakPolarHBondContact O-CD2 3.42Å; L381-Y385 PolarHBondContact O-N 2.91Å; L382-Y385 PolarHBondContact O-N 3.18Å; S383-Y385 PolarHBondContact O-N 3.42Å; Y385-R388 PolarHBondContact O-N 2.91Å; Y385-S389 PolarHBondContact O-N 3.29Å
386	R	97.6	Very high	97.2	Very high	145 Å²	145	54.4 Å²	54.4	55%	0.547	24%	0.243	S	C	.	.	H	α-helix	trans	-64.3	-44	177.1	-76.6	179.1	173.8	177.5	-1.9	112.3	G366 L382 S383 R388 S389 E390	G366-R386 VanDerWaalsContact O-CG 3.28Å; G366-R386 WeakPolarHBondContact O-CG 3.32Å; L382-R386 HydrophobicContact CD1-CG 4.31Å; L382-R386 HydrophobicContact CG-CG 4.41Å; L382-R386 WeakPolarHBondContact O-CB 3.21Å; L382-R386 WeakPolarHBondContact O-CG 3.43Å; L382-R386 PolarHBondContact O-N 3.39Å; S383-R386 PolarHBondContact O-N 3.18Å; R386-R388 VanDerWaalsContact C-N 3.31Å; R386-R388 PolarHBondContact O-N 2.99Å; R386-S389 WeakPolarHBondContact O-CB 3.44Å; R386-S389 PolarHBondContact O-N 3.14Å; R386-E390 PolarHBondContact O-N 2.77Å
387	E	97.7	Very high	97.3	Very high	111 Å²	111	48.2 Å²	48.2	52%	0.519	22%	0.218	S	C	.	.	H	α-helix	trans	-63.5	-39.5	177.2	-75	176.2	-178.4	0	0	111.2	S383 S389 E390 W391	S383-E387 WeakPolarHBondContact O-CB 3.3Å; S383-E387 VanDerWaalsContact O-CG 3.29Å; S383-E387 WeakPolarHBondContact O-CG 3.13Å; S383-E387 PolarHBondContact O-N 2.98Å; E387-S389 PolarHBondContact O-N 2.69Å; E387-E390 PolarHBondContact O-N 3.09Å; E387-W391 VanDerWaalsContact O-CB 3.29Å; E387-W391 WeakPolarHBondContact O-CB 3.49Å; E387-W391 PolarHBondContact O-N 2.81Å
388	R	96.7	Very high	97.3	Very high	74 Å²	74	50.4 Å²	50.4	28%	0.279	24%	0.235	S	C	.	.	H	α-helix	trans	-65.1	-38.4	174.4	-171.4	59.7	174.6	174.1	1.8	112.8	F187 V364 I384 Y385 R386 W391 A392	F187-R388 HydrophobicContact CD1-CG 4.1Å; F187-R388 HydrophobicContact CE1-CG 3.79Å; F187-R388 HydrophobicContact CE2-CG 4.48Å; F187-R388 HydrophobicContact CZ-CG 4.01Å; V364-R388 HydrophobicContact CB-CG 4.28Å; V364-R388 HydrophobicContact CG2-CG 3.91Å; I384-R388 PolarHBondContact O-N 2.91Å; Y385-R388 PolarHBondContact O-N 2.91Å; R386-R388 VanDerWaalsContact C-N 3.31Å; R386-R388 PolarHBondContact O-N 2.99Å; R388-W391 VanDerWaalsContact NH1-CE3 3.34Å; R388-W391 VanDerWaalsContact NH1-CZ3 3.26Å; R388-A392 PolarHBondContact O-N 2.84Å
389	S	97.4	Very high	97.2	Very high	11 Å²	11	51.3 Å²	51.3	8%	0.077	24%	0.239	C	C	.	.	H	α-helix	trans	-64.4	-50.7	174	179.9	0	0	0	0	111.5	V364 Y385 R386 E387 W391 A392 V393	V364-S389 VanDerWaalsContact O-CB 3.27Å; V364-S389 WeakPolarHBondContact O-CB 3.41Å; V364-S389 PolarHBondContact O-OG 3.45Å; Y385-S389 PolarHBondContact O-N 3.29Å; R386-S389 WeakPolarHBondContact O-CB 3.44Å; R386-S389 PolarHBondContact O-N 3.14Å; E387-S389 PolarHBondContact O-N 2.69Å; S389-W391 VanDerWaalsContact C-N 3.32Å; S389-W391 PolarHBondContact O-N 2.72Å; S389-A392 WeakPolarHBondContact O-CB 3.47Å; S389-A392 PolarHBondContact O-N 2.86Å; S389-A392 VanDerWaalsContact O-N 3.08Å; S389-V393 WeakPolarHBondContact O-CG2 3.44Å; S389-V393 PolarHBondContact O-N 2.84Å
390	E	98	Very high	97	Very high	68 Å²	68	46.8 Å²	46.8	32%	0.318	22%	0.215	S	C	.	.	H	α-helix	trans	-64.1	-36.5	179.2	-72.2	-62.2	129.6	0	0	112	R386 E387 A392 V393 E394 R412	R386-E390 PolarHBondContact O-N 2.77Å; E387-E390 PolarHBondContact O-N 3.09Å; E390-A392 VanDerWaalsContact C-N 3.28Å; E390-A392 PolarHBondContact O-N 2.73Å; E390-V393 WeakPolarHBondContact O-CB 3.11Å; E390-V393 PolarHBondContact O-N 3.43Å; E390-V393 VanDerWaalsContact O-N 3.12Å; E390-E394 WeakPolarHBondContact O-CG 3.44Å; E390-E394 PolarHBondContact O-N 3.46Å; E390-R412 IonicContact OE1-CZ 2.91Å; E390-R412 IonicContact OE1-NE 3.77Å; E390-R412 PolarHBondContact OE1-NE 2.96Å; E390-R412 IonicContact OE1-NH2 3.98Å; E390-R412 IonicContact OE2-CZ 3.77Å; E390-R412 IonicContact OE2-NE 2.76Å; E390-R412 PolarHBondContact OE2-NE 3.01Å; E390-R412 IonicContact OE2-NH2 2.99Å; E390-R412 PolarHBondContact OE2-NH2 3.38Å
391	W	97.6	Very high	96.8	Very high	65 Å²	65	48.4 Å²	48.4	25%	0.246	23%	0.225	C	C	.	.	H	α-helix	trans	-56.5	-43.6	171.2	169.6	84.6	0	0	0	111.5	F353 E357 E387 R388 S389 E394 R395	F353-W391 HydrophobicContact CE2-CE3 4.31Å; F353-W391 AromaticContact CE2-CH2 3.88Å; F353-W391 HydrophobicContact CE2-CH2 3.88Å; F353-W391 AromaticContact CE2-CZ3 3.56Å; F353-W391 HydrophobicContact CE2-CZ3 3.56Å; F353-W391 HydrophobicContact CZ-CE3 4.5Å; F353-W391 HydrophobicContact CZ-CH2 4.27Å; F353-W391 AromaticContact CZ-CZ3 3.67Å; F353-W391 HydrophobicContact CZ-CZ3 3.67Å; E357-W391 HydrophobicContact CB-CH2 3.8Å; E357-W391 HydrophobicContact CB-CZ2 4.14Å; E387-W391 VanDerWaalsContact O-CB 3.29Å; E387-W391 WeakPolarHBondContact O-CB 3.49Å; E387-W391 PolarHBondContact O-N 2.81Å; R388-W391 VanDerWaalsContact NH1-CE3 3.34Å; R388-W391 VanDerWaalsContact NH1-CZ3 3.26Å; S389-W391 VanDerWaalsContact C-N 3.32Å; S389-W391 PolarHBondContact O-N 2.72Å; W391-E394 PolarHBondContact O-N 3.27Å; W391-R395 HydrophobicContact CD2-CG 4.32Å; W391-R395 HydrophobicContact CZ2-CG 4.09Å; W391-R395 WeakPolarHBondContact O-CG 3.24Å; W391-R395 PolarHBondContact O-N 3.12Å; W391-R395 VanDerWaalsContact O-N 3.12Å
392	A	97.7	Very high	96.5	Very high	1 Å²	1	53 Å²	53	1%	0.008	25%	0.247	C	C	.	.	H	α-helix	trans	-65.6	-40.8	175.8	0	0	0	0	0	111.9	F353 P363 R388 S389 E390 E394 R395 L396	F353-A392 HydrophobicContact CE2-CB 3.92Å; F353-A392 HydrophobicContact CZ-CB 3.81Å; P363-A392 HydrophobicContact CB-CB 3.46Å; P363-A392 VanDerWaalsContact CB-CB 3.46Å; R388-A392 PolarHBondContact O-N 2.84Å; S389-A392 WeakPolarHBondContact O-CB 3.47Å; S389-A392 PolarHBondContact O-N 2.86Å; S389-A392 VanDerWaalsContact O-N 3.08Å; E390-A392 VanDerWaalsContact C-N 3.28Å; E390-A392 PolarHBondContact O-N 2.73Å; A392-E394 VanDerWaalsContact C-N 3.31Å; A392-E394 PolarHBondContact O-N 3.44Å; A392-R395 PolarHBondContact O-N 2.69Å; A392-R395 VanDerWaalsContact O-N 3.13Å; A392-L396 WeakPolarHBondContact O-CD1 3.47Å; A392-L396 PolarHBondContact O-N 2.85Å
393	V	98.1	Very high	96.2	Very high	2 Å²	2	52.8 Å²	52.8	1%	0.012	25%	0.246	C	C	.	.	H	α-helix	trans	-56.1	-45.4	174.2	174.1	0	0	0	0	110.9	S389 E390 R395 L396 T397 V408 V411 R412 V415	S389-V393 WeakPolarHBondContact O-CG2 3.44Å; S389-V393 PolarHBondContact O-N 2.84Å; E390-V393 WeakPolarHBondContact O-CB 3.11Å; E390-V393 PolarHBondContact O-N 3.43Å; E390-V393 VanDerWaalsContact O-N 3.12Å; V393-R395 PolarHBondContact O-N 3.39Å; V393-L396 PolarHBondContact O-N 3.33Å; V393-T397 VanDerWaalsContact O-CB 3.23Å; V393-T397 WeakPolarHBondContact O-CB 3.41Å; V393-T397 PolarHBondContact O-N 3.45Å; V393-T397 PolarHBondContact O-OG1 2.9Å; V393-V408 HydrophobicContact CG1-CG1 4.17Å; V393-V411 HydrophobicContact CG1-CB 4.44Å; V393-V411 HydrophobicContact CG1-CG1 4.07Å; V393-R412 HydrophobicContact CG1-CB 4.28Å; V393-R412 HydrophobicContact CG2-CB 4.21Å; V393-R412 HydrophobicContact CG2-CG 4.29Å; V393-V415 HydrophobicContact CG2-CB 3.88Å; V393-V415 HydrophobicContact CG2-CG1 4.01Å; V393-V415 HydrophobicContact CG2-CG2 3.86Å
394	E	97.5	Very high	95.8	Very high	92 Å²	92	56.6 Å²	56.6	43%	0.43	27%	0.269	S	S	.	.	H	α-helix	trans	-60	-44	175.8	-70.2	175.1	-179.3	0	0	112	E390 W391 A392 T397 S398	E390-E394 WeakPolarHBondContact O-CG 3.44Å; E390-E394 PolarHBondContact O-N 3.46Å; W391-E394 PolarHBondContact O-N 3.27Å; A392-E394 VanDerWaalsContact C-N 3.31Å; A392-E394 PolarHBondContact O-N 3.44Å; E394-T397 PolarHBondContact O-N 3.13Å; E394-S398 WeakPolarHBondContact O-CB 3.23Å; E394-S398 PolarHBondContact O-N 2.93Å
395	R	97.3	Very high	95.4	Very high	100 Å²	100	58.7 Å²	58.7	38%	0.377	28%	0.281	S	S	.	.	H	α-helix	trans	-66.3	-41.6	179.6	-61.7	-59.8	139.3	179.3	-3.9	112.4	F353 W391 A392 V393 S398 R399	F353-R395 HydrophobicContact CD2-CB 4.04Å; F353-R395 HydrophobicContact CE2-CB 4.29Å; W391-R395 HydrophobicContact CD2-CG 4.32Å; W391-R395 HydrophobicContact CZ2-CG 4.09Å; W391-R395 WeakPolarHBondContact O-CG 3.24Å; W391-R395 PolarHBondContact O-N 3.12Å; W391-R395 VanDerWaalsContact O-N 3.12Å; A392-R395 PolarHBondContact O-N 2.69Å; A392-R395 VanDerWaalsContact O-N 3.13Å; V393-R395 PolarHBondContact O-N 3.39Å; R395-S398 PolarHBondContact O-OG 3.44Å; R395-R399 PolarHBondContact O-NH1 3.14Å; R395-R399 VanDerWaalsContact O-NH1 3.09Å
396	L	97	Very high	95.1	Very high	0 Å²	0	59.6 Å²	59.6	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-68.6	-44	175.8	-85.9	78.8	0	0	0	110.7	L350 F353 A392 V393 S398 R399 L400 V411 F414 V415	L350-L396 HydrophobicContact CB-CD2 4.43Å; F353-L396 HydrophobicContact CB-CD1 3.74Å; F353-L396 HydrophobicContact CB-CG 4.42Å; F353-L396 HydrophobicContact CD1-CD1 4.23Å; F353-L396 HydrophobicContact CD2-CD1 3.65Å; F353-L396 HydrophobicContact CE2-CD1 4.29Å; F353-L396 HydrophobicContact CG-CD1 3.6Å; A392-L396 WeakPolarHBondContact O-CD1 3.47Å; A392-L396 PolarHBondContact O-N 2.85Å; V393-L396 PolarHBondContact O-N 3.33Å; L396-S398 VanDerWaalsContact C-N 3.29Å; L396-S398 PolarHBondContact O-N 3.14Å; L396-R399 WeakPolarHBondContact O-CB 3.34Å; L396-R399 PolarHBondContact O-N 2.89Å; L396-R399 VanDerWaalsContact O-N 3.07Å; L396-L400 WeakPolarHBondContact O-CG 3.47Å; L396-L400 PolarHBondContact O-N 3.26Å; L396-V411 HydrophobicContact CB-CG1 3.62Å; L396-V411 HydrophobicContact CD2-CG1 4.49Å; L396-F414 HydrophobicContact CD2-CD1 4.34Å; L396-V415 HydrophobicContact CD2-CG2 3.98Å
397	T	97	Very high	94.9	Very high	20 Å²	20	55 Å²	55	12%	0.123	28%	0.275	C	S	.	.	H	α-helix	trans	-57.9	-43.3	177.6	-59	0	0	0	0	111.1	V393 E394 R399 L400 L401 V408	V393-T397 VanDerWaalsContact O-CB 3.23Å; V393-T397 WeakPolarHBondContact O-CB 3.41Å; V393-T397 PolarHBondContact O-N 3.45Å; V393-T397 PolarHBondContact O-OG1 2.9Å; E394-T397 PolarHBondContact O-N 3.13Å; T397-R399 PolarHBondContact O-N 3.46Å; T397-R399 VanDerWaalsContact O-N 3.16Å; T397-L400 CarbonylContact O-C 3.59Å; T397-L400 PolarHBondContact O-N 3.47Å; T397-L401 PolarHBondContact O-N 2.89Å; T397-L401 VanDerWaalsContact O-N 3.16Å; T397-V408 HydrophobicContact CG2-CG2 3.99Å
398	S	95.5	Very high	94.7	Very high	62 Å²	62	52.9 Å²	52.9	43%	0.434	27%	0.27	S	S	.	.	H	α-helix	trans	-58.9	-28.9	179	73.3	0	0	0	0	113.7	E394 R395 L396	E394-S398 WeakPolarHBondContact O-CB 3.23Å; E394-S398 PolarHBondContact O-N 2.93Å; R395-S398 PolarHBondContact O-OG 3.44Å; L396-S398 VanDerWaalsContact C-N 3.29Å; L396-S398 PolarHBondContact O-N 3.14Å
399	R	93.6	Very high	94.6	Very high	66 Å²	66	54.1 Å²	54.1	25%	0.249	28%	0.282	C	S	.	.	H	α-helix	trans	-80.3	-19.2	176.1	-67.5	170.1	162.9	72.2	3.8	113.4	A349 E357 R395 L396 T397	A349-R399 HydrophobicContact CB-CB 4.35Å; E357-R399 IonicContact OE1-CZ 3.2Å; E357-R399 IonicContact OE1-NH1 3.94Å; E357-R399 PolarHBondContact OE1-NH1 3.35Å; E357-R399 IonicContact OE1-NH2 3.8Å; E357-R399 PolarHBondContact OE1-NH2 2.89Å; E357-R399 IonicContact OE2-CZ 3.66Å; E357-R399 IonicContact OE2-NH1 2.8Å; E357-R399 IonicContact OE2-NH2 3.28Å; E357-R399 PolarHBondContact OE2-NH2 2.68Å; R395-R399 PolarHBondContact O-NH1 3.14Å; R395-R399 VanDerWaalsContact O-NH1 3.09Å; L396-R399 WeakPolarHBondContact O-CB 3.34Å; L396-R399 PolarHBondContact O-N 2.89Å; L396-R399 VanDerWaalsContact O-N 3.07Å; T397-R399 PolarHBondContact O-N 3.46Å; T397-R399 VanDerWaalsContact O-N 3.16Å
400	L	94.6	Very high	94.4	Very high	9 Å²	9	54.6 Å²	54.6	5%	0.047	28%	0.284	C	S	.	.	H	α-helix	trans	-106.6	1.4	-172.6	-63.9	167.4	0	0	0	112.6	R345 L346 A349 L396 T397 Q402 F403 I406 V411	R345-L400 HydrophobicContact CB-CD2 4.31Å; L346-L400 HydrophobicContact CD2-CD1 3.62Å; A349-L400 HydrophobicContact CB-CD1 4.03Å; A349-L400 HydrophobicContact CB-CD2 3.9Å; A349-L400 HydrophobicContact CB-CG 3.96Å; L396-L400 WeakPolarHBondContact O-CG 3.47Å; L396-L400 PolarHBondContact O-N 3.26Å; T397-L400 CarbonylContact O-C 3.59Å; T397-L400 PolarHBondContact O-N 3.47Å; L400-Q402 PolarHBondContact O-N 3.37Å; L400-F403 HydrophobicContact CB-CD2 4.49Å; L400-F403 HydrophobicContact CD2-CD2 3.89Å; L400-F403 HydrophobicContact CD2-CE2 4.2Å; L400-F403 PolarHBondContact O-N 3.38Å; L400-I406 HydrophobicContact CD1-CG2 4.33Å; L400-I406 HydrophobicContact CD2-CD1 4.06Å; L400-V411 HydrophobicContact CD1-CG2 3.82Å
401	L	92.1	Very high	94.3	Very high	112 Å²	112	51.5 Å²	51.5	59%	0.586	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.5	-25.5	-179.7	-72.4	173.7	0	0	0	114.4	T397 F403	T397-L401 PolarHBondContact O-N 2.89Å; T397-L401 VanDerWaalsContact O-N 3.16Å; L401-F403 PolarHBondContact O-N 2.95Å
402	Q	90.3	Very high	94.3	Very high	96 Å²	96	52.6 Å²	52.6	45%	0.449	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.4	-9.2	178.2	69.8	-171.8	28.5	0	0	114	I308 L400 P404	I308-Q402 HydrophobicContact CD1-CB 4.15Å; L400-Q402 PolarHBondContact O-N 3.37Å; Q402-P404 WeakPolarHBondContact O-CD 3.23Å
403	F	91.6	Very high	94.1	Very high	12 Å²	12	54.8 Å²	54.8	5%	0.053	29%	0.285	C	S	.	.			trans	-112.4	93.8	-177.8	-56.4	-62.3	0	0	0	110	L305 R345 L400 L401 D405 I406	L305-F403 WeakPolarHBondContact O-CZ 3.08Å; R345-F403 HydrophobicContact CG-CE2 4.35Å; R345-F403 HydrophobicContact CG-CZ 4.38Å; L400-F403 HydrophobicContact CB-CD2 4.49Å; L400-F403 HydrophobicContact CD2-CD2 3.89Å; L400-F403 HydrophobicContact CD2-CE2 4.2Å; L400-F403 PolarHBondContact O-N 3.38Å; L401-F403 PolarHBondContact O-N 2.95Å; F403-D405 PolarHBondContact O-N 2.89Å; F403-D405 VanDerWaalsContact O-N 3.13Å; F403-I406 HydrophobicContact CB-CD1 3.95Å; F403-I406 HydrophobicContact CB-CG1 4.18Å; F403-I406 HydrophobicContact CD2-CD1 4.36Å; F403-I406 HydrophobicContact CG-CD1 4.4Å; F403-I406 PolarHBondContact O-N 2.96Å; F403-I406 VanDerWaalsContact O-N 3.14Å
404	P	88.6	Confident	94	Very high	123 Å²	123	54.7 Å²	54.7	80%	0.799	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.7	-15.6	-175	28.3	-35.5	0	0	0	113.2	Q402 I406	Q402-P404 WeakPolarHBondContact O-CD 3.23Å; P404-I406 VanDerWaalsContact C-N 3.31Å
405	D	89.5	Confident	94	Very high	62 Å²	62	50.4 Å²	50.4	33%	0.332	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.8	-12.9	177.1	62.6	-60.8	0	0	0	113.5	K342 R345 F403	K342-D405 WeakPolarHBondContact CE-O 3.3Å; K342-D405 WeakPolarHBondContact CE-OD2 3.46Å; K342-D405 VanDerWaalsContact CG-OD2 3.3Å; K342-D405 WeakPolarHBondContact CG-OD2 3.35Å; K342-D405 PolarHBondContact NZ-O 2.89Å; R345-D405 IonicContact NH1-OD1 2.86Å; R345-D405 PolarHBondContact NH1-OD1 3.3Å; R345-D405 IonicContact NH1-OD2 3.34Å; R345-D405 PolarHBondContact NH1-OD2 3.08Å; F403-D405 PolarHBondContact O-N 2.89Å; F403-D405 VanDerWaalsContact O-N 3.13Å
406	I	92.4	Very high	94	Very high	20 Å²	20	50.4 Å²	50.4	10%	0.103	27%	0.267	C	S	.	.			trans	-100.7	115.9	179.6	-58.6	175.7	0	0	0	109.6	K342 R345 L346 L400 F403 P404 D410 V411	K342-I406 HydrophobicContact CB-CG1 4.43Å; K342-I406 HydrophobicContact CD-CG1 4.41Å; K342-I406 HydrophobicContact CG-CG1 4.05Å; R345-I406 HydrophobicContact CB-CD1 3.89Å; L346-I406 HydrophobicContact CD2-CG2 4.19Å; L400-I406 HydrophobicContact CD1-CG2 4.33Å; L400-I406 HydrophobicContact CD2-CD1 4.06Å; F403-I406 HydrophobicContact CB-CD1 3.95Å; F403-I406 HydrophobicContact CB-CG1 4.18Å; F403-I406 HydrophobicContact CD2-CD1 4.36Å; F403-I406 HydrophobicContact CG-CD1 4.4Å; F403-I406 PolarHBondContact O-N 2.96Å; F403-I406 VanDerWaalsContact O-N 3.14Å; P404-I406 VanDerWaalsContact C-N 3.31Å; I406-D410 HydrophobicContact CG2-CB 4.25Å; I406-V411 HydrophobicContact CG2-CG2 3.94Å
407	S	92.8	Very high	93.9	Very high	48 Å²	48	50.8 Å²	50.8	34%	0.336	27%	0.269	S	S	.	.			trans	-83.5	160.7	178.7	88.5	0	0	0	0	112.1	D409 D410 V411	S407-D409 PolarHBondContact O-N 2.85Å; S407-D409 PolarHBondContact OG-N 3.41Å; S407-D410 PolarHBondContact N-OD2 3.42Å; S407-D410 WeakPolarHBondContact O-CB 3.35Å; S407-D410 PolarHBondContact O-N 2.94Å; S407-D410 PolarHBondContact OG-N 3.4Å; S407-D410 PolarHBondContact OG-OD1 2.77Å; S407-D410 PolarHBondContact OG-OD2 3.27Å; S407-V411 WeakPolarHBondContact O-CG2 3.46Å; S407-V411 PolarHBondContact O-N 3Å
408	V	94.6	Very high	93.9	Very high	68 Å²	68	50 Å²	50	41%	0.412	26%	0.264	S	S	.	.	H	α-helix	trans	-63.3	-31.9	172.2	-178.8	0	0	0	0	111	V393 T397 V411 R412	V393-V408 HydrophobicContact CG1-CG1 4.17Å; T397-V408 HydrophobicContact CG2-CG2 3.99Å; V408-V411 PolarHBondContact O-N 3.1Å; V408-R412 WeakPolarHBondContact O-CB 3.32Å; V408-R412 PolarHBondContact O-N 2.89Å
409	D	93.1	Very high	93.9	Very high	99 Å²	99	48.7 Å²	48.7	53%	0.529	26%	0.255	S	S	.	.	H	α-helix	trans	-69.9	-35.1	177.5	-64.9	-40.5	0	0	0	111.3	S407 V411 R412 L413	S407-D409 PolarHBondContact O-N 2.85Å; S407-D409 PolarHBondContact OG-N 3.41Å; D409-V411 VanDerWaalsContact C-N 3.34Å; D409-V411 PolarHBondContact O-N 3.25Å; D409-R412 PolarHBondContact O-N 2.79Å; D409-R412 IonicContact OD1-NH1 3Å; D409-R412 PolarHBondContact OD1-NH1 3.36Å; D409-L413 WeakPolarHBondContact O-CB 3.46Å; D409-L413 PolarHBondContact O-N 2.88Å
410	D	93.3	Very high	94	Very high	22 Å²	22	46.8 Å²	46.8	12%	0.118	25%	0.249	C	C	.	.	H	α-helix	trans	-61	-45.4	172.1	-54.3	-9.4	0	0	0	110	I406 S407 L413 F414	I406-D410 HydrophobicContact CG2-CB 4.25Å; S407-D410 PolarHBondContact N-OD2 3.42Å; S407-D410 WeakPolarHBondContact O-CB 3.35Å; S407-D410 PolarHBondContact O-N 2.94Å; S407-D410 PolarHBondContact OG-N 3.4Å; S407-D410 PolarHBondContact OG-OD1 2.77Å; S407-D410 PolarHBondContact OG-OD2 3.27Å; D410-L413 PolarHBondContact O-N 3.11Å; D410-F414 VanDerWaalsContact O-CB 3.23Å; D410-F414 WeakPolarHBondContact O-CB 3.12Å; D410-F414 PolarHBondContact O-N 3.25Å
411	V	96.6	Very high	94.1	Very high	2 Å²	2	46.4 Å²	46.4	1%	0.012	25%	0.247	C	C	.	.	H	α-helix	trans	-64.6	-42.6	177.8	-179	0	0	0	0	110.9	L346 V393 L396 L400 I406 S407 V408 D409 F414 V415	L346-V411 HydrophobicContact CD2-CG2 3.98Å; V393-V411 HydrophobicContact CG1-CB 4.44Å; V393-V411 HydrophobicContact CG1-CG1 4.07Å; L396-V411 HydrophobicContact CB-CG1 3.62Å; L396-V411 HydrophobicContact CD2-CG1 4.49Å; L400-V411 HydrophobicContact CD1-CG2 3.82Å; I406-V411 HydrophobicContact CG2-CG2 3.94Å; S407-V411 WeakPolarHBondContact O-CG2 3.46Å; S407-V411 PolarHBondContact O-N 3Å; V408-V411 PolarHBondContact O-N 3.1Å; D409-V411 VanDerWaalsContact C-N 3.34Å; D409-V411 PolarHBondContact O-N 3.25Å; V411-F414 PolarHBondContact O-N 3.07Å; V411-V415 HydrophobicContact CG1-CG2 4.36Å; V411-V415 WeakPolarHBondContact O-CB 3.5Å; V411-V415 WeakPolarHBondContact O-CG2 3.45Å; V411-V415 PolarHBondContact O-N 3.16Å
412	R	96.4	Very high	94.3	Very high	88 Å²	88	43.2 Å²	43.2	33%	0.332	23%	0.23	S	C	.	.	H	α-helix	trans	-63.5	-43.9	177.5	-173.3	-179.6	-70.8	108.1	3.4	111.6	E390 V393 V408 D409 F414 V415 K416	E390-R412 IonicContact OE1-CZ 2.91Å; E390-R412 IonicContact OE1-NE 3.77Å; E390-R412 PolarHBondContact OE1-NE 2.96Å; E390-R412 IonicContact OE1-NH2 3.98Å; E390-R412 IonicContact OE2-CZ 3.77Å; E390-R412 IonicContact OE2-NE 2.76Å; E390-R412 PolarHBondContact OE2-NE 3.01Å; E390-R412 IonicContact OE2-NH2 2.99Å; E390-R412 PolarHBondContact OE2-NH2 3.38Å; V393-R412 HydrophobicContact CG1-CB 4.28Å; V393-R412 HydrophobicContact CG2-CB 4.21Å; V393-R412 HydrophobicContact CG2-CG 4.29Å; V408-R412 WeakPolarHBondContact O-CB 3.32Å; V408-R412 PolarHBondContact O-N 2.89Å; D409-R412 PolarHBondContact O-N 2.79Å; D409-R412 IonicContact OD1-NH1 3Å; D409-R412 PolarHBondContact OD1-NH1 3.36Å; R412-F414 VanDerWaalsContact C-N 3.32Å; R412-V415 PolarHBondContact O-N 3.1Å; R412-K416 WeakPolarHBondContact O-CB 3.25Å; R412-K416 PolarHBondContact O-N 2.94Å
413	L	94.7	Very high	94.5	Very high	48 Å²	48	39.7 Å²	39.7	25%	0.251	22%	0.215	S	C	.	.	H	α-helix	trans	-60.5	-44.2	175.1	-176	63.3	0	0	0	111.3	V170 E171 I338 D409 D410 K416 N417	V170-L413 HydrophobicContact CG1-CG 4.29Å; E171-L413 HydrophobicContact CG-CD1 3.98Å; E171-L413 HydrophobicContact CG-CG 4.42Å; E171-L413 WeakPolarHBondContact OE1-CD1 3.49Å; I338-L413 HydrophobicContact CD1-CD2 4.43Å; D409-L413 WeakPolarHBondContact O-CB 3.46Å; D409-L413 PolarHBondContact O-N 2.88Å; D410-L413 PolarHBondContact O-N 3.11Å; L413-K416 PolarHBondContact O-N 3.12Å; L413-N417 PolarHBondContact O-N 3.49Å; L413-N417 PolarHBondContact O-ND2 3.07Å
414	F	96.5	Very high	94.5	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-64	-46.8	178.1	-174.4	-90.1	0	0	0	112.1	V170 F343 L346 V347 L350 L396 D410 V411 R412 K416 N417 A418 L421	V170-F414 HydrophobicContact CG1-CD2 4.39Å; V170-F414 HydrophobicContact CG2-CD2 4.01Å; F343-F414 HydrophobicContact CD2-CE2 4.46Å; F343-F414 HydrophobicContact CE2-CE2 4.42Å; L346-F414 HydrophobicContact CB-CD1 4.08Å; L346-F414 HydrophobicContact CB-CD2 3.67Å; L346-F414 HydrophobicContact CB-CE1 3.99Å; L346-F414 HydrophobicContact CB-CE2 3.55Å; L346-F414 HydrophobicContact CB-CG 3.93Å; L346-F414 HydrophobicContact CB-CZ 3.72Å; L346-F414 HydrophobicContact CD1-CB 4.22Å; L346-F414 HydrophobicContact CD1-CD2 3.77Å; L346-F414 HydrophobicContact CD1-CE2 4.39Å; L346-F414 HydrophobicContact CD1-CG 4.08Å; L346-F414 HydrophobicContact CD2-CB 4.28Å; L346-F414 HydrophobicContact CD2-CD1 4.42Å; L346-F414 HydrophobicContact CD2-CG 4.19Å; L346-F414 HydrophobicContact CG-CD2 4.22Å; L346-F414 HydrophobicContact CG-CG 4.3Å; V347-F414 HydrophobicContact CG2-CE2 4.21Å; V347-F414 HydrophobicContact CG2-CZ 3.98Å; L350-F414 HydrophobicContact CB-CE1 3.91Å; L350-F414 HydrophobicContact CB-CZ 4.42Å; L350-F414 HydrophobicContact CD2-CE1 3.82Å; L350-F414 HydrophobicContact CD2-CZ 4.06Å; L350-F414 HydrophobicContact CG-CE1 4.34Å; L396-F414 HydrophobicContact CD2-CD1 4.34Å; D410-F414 VanDerWaalsContact O-CB 3.23Å; D410-F414 WeakPolarHBondContact O-CB 3.12Å; D410-F414 PolarHBondContact O-N 3.25Å; V411-F414 PolarHBondContact O-N 3.07Å; R412-F414 VanDerWaalsContact C-N 3.32Å; F414-K416 PolarHBondContact O-N 2.75Å; F414-N417 CarbonylContact O-C 3.59Å; F414-N417 PolarHBondContact O-N 3.09Å; F414-N417 VanDerWaalsContact O-N 3.14Å; F414-A418 WeakPolarHBondContact O-CA 3.42Å; F414-A418 PolarHBondContact O-N 3.2Å; F414-L421 HydrophobicContact CD2-CD2 3.95Å; F414-L421 HydrophobicContact CE1-CD1 4.14Å; F414-L421 HydrophobicContact CE2-CD1 3.64Å; F414-L421 HydrophobicContact CE2-CD2 3.67Å; F414-L421 HydrophobicContact CE2-CG 4.32Å; F414-L421 HydrophobicContact CZ-CD1 3.37Å; F414-L421 HydrophobicContact CZ-CD2 4.21Å; F414-L421 HydrophobicContact CZ-CG 4.44Å
415	V	97.3	Very high	94.5	Very high	2 Å²	2	38.8 Å²	38.8	1%	0.012	20%	0.197	C	C	.	.	H	α-helix	trans	-59.7	-44.8	176.8	164.8	0	0	0	0	111.4	P363 V393 L396 V411 R412 N417 A418	P363-V415 HydrophobicContact CB-CG1 3.88Å; P363-V415 HydrophobicContact CG-CB 4.43Å; P363-V415 HydrophobicContact CG-CG1 3.99Å; P363-V415 HydrophobicContact CG-CG2 4.24Å; V393-V415 HydrophobicContact CG2-CB 3.88Å; V393-V415 HydrophobicContact CG2-CG1 4.01Å; V393-V415 HydrophobicContact CG2-CG2 3.86Å; L396-V415 HydrophobicContact CD2-CG2 3.98Å; V411-V415 HydrophobicContact CG1-CG2 4.36Å; V411-V415 WeakPolarHBondContact O-CB 3.5Å; V411-V415 WeakPolarHBondContact O-CG2 3.45Å; V411-V415 PolarHBondContact O-N 3.16Å; R412-V415 PolarHBondContact O-N 3.1Å; V415-N417 PolarHBondContact O-N 3.2Å; V415-N417 VanDerWaalsContact O-N 3.16Å; V415-A418 WeakPolarHBondContact O-CB 3.36Å; V415-A418 PolarHBondContact O-N 3.15Å
416	K	95.6	Very high	94.4	Very high	100 Å²	100	36.6 Å²	36.6	44%	0.435	19%	0.186	S	C	.	.	H	α-helix	trans	-59.2	-27.3	178.2	-176.8	-176.7	174.8	-167.4	0	113	R365 R412 L413 F414	R365-K416 WeakPolarHBondContact CD-O 3.26Å; R365-K416 HydrophobicContact CG-CG 4.18Å; R365-K416 WeakPolarHBondContact CG-O 3.4Å; R365-K416 PolarHBondContact NE-O 3.29Å; R365-K416 VanDerWaalsContact NE-O 3.1Å; R412-K416 WeakPolarHBondContact O-CB 3.25Å; R412-K416 PolarHBondContact O-N 2.94Å; L413-K416 PolarHBondContact O-N 3.12Å; F414-K416 PolarHBondContact O-N 2.75Å
417	N	96.3	Very high	93.9	Very high	8 Å²	8	40 Å²	40	4%	0.043	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-116.5	16.4	-177.3	-60.3	-64.3	0	0	0	113.6	V170 L413 F414 V415 S419 F420 L421	V170-N417 HydrophobicContact CG1-CB 4.02Å; V170-N417 WeakPolarHBondContact O-CB 3.43Å; L413-N417 PolarHBondContact O-N 3.49Å; L413-N417 PolarHBondContact O-ND2 3.07Å; F414-N417 CarbonylContact O-C 3.59Å; F414-N417 PolarHBondContact O-N 3.09Å; F414-N417 VanDerWaalsContact O-N 3.14Å; V415-N417 PolarHBondContact O-N 3.2Å; V415-N417 VanDerWaalsContact O-N 3.16Å; N417-S419 PolarHBondContact O-N 2.95Å; N417-F420 PolarHBondContact O-N 3.19Å; N417-L421 PolarHBondContact O-N 3.06Å
418	A	97.1	Very high	93.5	Very high	2 Å²	2	39.5 Å²	39.5	2%	0.017	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-27.2	-174.6	0	0	0	0	0	113.8	V291 L350 L362 P363 F414 V415 F420	V291-A418 WeakPolarHBondContact CG2-O 3.43Å; L350-A418 HydrophobicContact CD2-CB 4.43Å; L362-A418 HydrophobicContact CD2-CB 4.45Å; P363-A418 HydrophobicContact CG-CB 3.88Å; F414-A418 WeakPolarHBondContact O-CA 3.42Å; F414-A418 PolarHBondContact O-N 3.2Å; V415-A418 WeakPolarHBondContact O-CB 3.36Å; V415-A418 PolarHBondContact O-N 3.15Å; A418-F420 VanDerWaalsContact C-N 3.35Å
419	S	95.7	Very high	93.1	Very high	35 Å²	35	36.2 Å²	36.2	25%	0.245	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.5	-12	175.2	53.3	0	0	0	0	114.3	N417	N417-S419 PolarHBondContact O-N 2.95Å
420	F	95.7	Very high	92.6	Very high	27 Å²	27	34 Å²	34	12%	0.118	16%	0.161	C	C	.	.	S	Bend	trans	-120.3	10.5	-171.3	-45.4	-59	0	0	0	113.3	S172 P174 Y177 R365 N417 A418	S172-F420 WeakPolarHBondContact CB-O 3.44Å; S172-F420 VanDerWaalsContact OG-CB 3.22Å; S172-F420 WeakPolarHBondContact OG-CB 3.48Å; S172-F420 PolarHBondContact OG-O 2.91Å; P174-F420 HydrophobicContact CB-CD1 4.47Å; P174-F420 HydrophobicContact CG-CD1 3.7Å; P174-F420 HydrophobicContact CG-CD2 4.24Å; P174-F420 HydrophobicContact CG-CE1 3.81Å; P174-F420 HydrophobicContact CG-CE2 4.36Å; P174-F420 HydrophobicContact CG-CG 3.92Å; P174-F420 HydrophobicContact CG-CZ 4.14Å; Y177-F420 HydrophobicContact CD1-CZ 4.24Å; Y177-F420 HydrophobicContact CD2-CE1 4.49Å; Y177-F420 AromaticContact CD2-CZ 3.74Å; Y177-F420 HydrophobicContact CD2-CZ 3.74Å; Y177-F420 HydrophobicContact CE2-CZ 4.41Å; Y177-F420 HydrophobicContact CG-CE1 4.11Å; Y177-F420 AromaticContact CG-CZ 3.67Å; Y177-F420 HydrophobicContact CG-CZ 3.67Å; R365-F420 VanDerWaalsContact NH1-CE2 3.32Å; N417-F420 PolarHBondContact O-N 3.19Å; A418-F420 VanDerWaalsContact C-N 3.35Å
421	L	96.6	Very high	92	Very high	1 Å²	1	37.4 Å²	37.4	1%	0.005	18%	0.176	C	C	.	.			trans	-57.8	139.1	176.8	-55.6	177.2	0	0	0	110.3	V170 N290 V291 L294 F343 L350 F414 N417	V170-L421 HydrophobicContact CB-CD2 4.39Å; V170-L421 HydrophobicContact CG1-CD2 4.18Å; V170-L421 HydrophobicContact CG2-CD2 4.25Å; N290-L421 PolarHBondContact ND2-O 2.88Å; V291-L421 HydrophobicContact CG2-CB 4.41Å; L294-L421 HydrophobicContact CD1-CB 3.73Å; F343-L421 HydrophobicContact CE2-CD2 4.33Å; F343-L421 HydrophobicContact CZ-CB 4.43Å; L350-L421 HydrophobicContact CD2-CD1 4.02Å; F414-L421 HydrophobicContact CD2-CD2 3.95Å; F414-L421 HydrophobicContact CE1-CD1 4.14Å; F414-L421 HydrophobicContact CE2-CD1 3.64Å; F414-L421 HydrophobicContact CE2-CD2 3.67Å; F414-L421 HydrophobicContact CE2-CG 4.32Å; F414-L421 HydrophobicContact CZ-CD1 3.37Å; F414-L421 HydrophobicContact CZ-CD2 4.21Å; F414-L421 HydrophobicContact CZ-CG 4.44Å; N417-L421 PolarHBondContact O-N 3.06Å
422	N	95.2	Very high	91.3	Very high	45 Å²	45	37.3 Å²	37.3	24%	0.241	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	151.7	179	-152.1	-11.4	0	0	0	110.9	I169 V585	I169-N422 HydrophobicContact CB-CB 4.26Å; I169-N422 HydrophobicContact CD1-CB 4.17Å; I169-N422 PolarHBondContact N-O 3.33Å; I169-N422 PolarHBondContact O-N 3.29Å; N422-V585 WeakPolarHBondContact ND2-CG2 3.49Å
423	V	94.2	Very high	90.6	Very high	21 Å²	21	34 Å²	34	13%	0.127	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	121.3	172.9	178.6	0	0	0	0	107.4	E166 H167 V168 L294 F343 W344 R425	E166-V423 HydrophobicContact CG-CG1 3.59Å; H167-V423 WeakPolarHBondContact O-CA 3.42Å; V168-V423 HydrophobicContact CG1-CG2 4.15Å; L294-V423 HydrophobicContact CD1-CG2 4.32Å; L294-V423 HydrophobicContact CD2-CB 3.78Å; L294-V423 HydrophobicContact CD2-CG2 3.38Å; L294-V423 HydrophobicContact CG-CG2 4.49Å; F343-V423 HydrophobicContact CD1-CG2 4.39Å; F343-V423 HydrophobicContact CE1-CG2 3.45Å; F343-V423 VanDerWaalsContact CE1-CG2 3.45Å; F343-V423 HydrophobicContact CZ-CG2 3.67Å; W344-V423 HydrophobicContact CZ2-CG2 4.21Å; V423-R425 HydrophobicContact CG1-CG 4.13Å
424	V	92	Very high	89.5	Confident	10 Å²	10	37.8 Å²	37.8	6%	0.061	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	127.6	174.7	174.7	0	0	0	0	108.6	H167 I169 V585 P586	H167-V424 HydrophobicContact CB-CB 4.38Å; H167-V424 PolarHBondContact N-O 3.3Å; H167-V424 PolarHBondContact O-N 2.89Å; I169-V424 HydrophobicContact CD1-CG2 4Å; V424-V585 HydrophobicContact CG2-CG1 4Å; V424-P586 HydrophobicContact CG2-CG 4.28Å
425	R	89.4	Confident	87.7	Confident	106 Å²	106	43.6 Å²	43.6	40%	0.4	21%	0.209	S	C	.	.			trans	-125.1	121.7	172.9	-62.3	-179.4	179.5	147.4	0.4	108.1	E166 D297 V423	E166-R425 IonicContact OE2-CZ 3.49Å; E166-R425 IonicContact OE2-NE 3.8Å; E166-R425 PolarHBondContact OE2-NE 3.41Å; E166-R425 IonicContact OE2-NH2 3.55Å; E166-R425 PolarHBondContact OE2-NH2 3.12Å; D297-R425 IonicContact OD1-NH2 2.89Å; D297-R425 IonicContact OD2-CZ 3.14Å; D297-R425 VanDerWaalsContact OD2-CZ 3.23Å; D297-R425 IonicContact OD2-NH1 3.9Å; D297-R425 PolarHBondContact OD2-NH1 3.46Å; D297-R425 IonicContact OD2-NH2 3.91Å; D297-R425 PolarHBondContact OD2-NH2 2.82Å; V423-R425 HydrophobicContact CG1-CG 4.13Å
426	C	87.5	Confident	85.4	Confident	17 Å²	17	43.8 Å²	43.8	12%	0.115	21%	0.21	C	C	.	.	P	Polyproline II helix	trans	-99	139.2	177.4	-65	0	0	0	0	109.6	I162 S164	I162-C426 WeakPolarHBondContact O-CB 3.18Å; I162-C426 PolarHBondContact O-SG 2.82Å; S164-C426 WeakPolarHBondContact O-CB 3.41Å; S164-C426 PolarHBondContact O-N 2.66Å
427	R	82	Confident	82.8	Confident	91 Å²	91	44 Å²	44	34%	0.343	22%	0.222	S	C	.	.	P	Polyproline II helix	trans	-56.4	147.3	164	-62.4	-171.6	-53.8	-170.2	7	110.1	R161 F605	R161-R427 PolarHBondContact NH2-O 3.04Å; R427-F605 VanDerWaalsContact NH1-CB 3.27Å; R427-F605 VanDerWaalsContact NH2-CD2 3.34Å
428	S	83.2	Confident	80.3	Confident	37 Å²	37	44.1 Å²	44.1	26%	0.259	22%	0.224	S	C	.	.	P	Polyproline II helix	trans	-63.9	153.4	174.1	68.3	0	0	0	0	110.5	E430 E431 E432	S428-E430 PolarHBondContact O-N 2.82Å; S428-E431 PolarHBondContact N-OE2 2.93Å; S428-E431 PolarHBondContact O-N 2.67Å; S428-E431 WeakPolarHBondContact OG-CB 3.42Å; S428-E431 VanDerWaalsContact OG-CD 3.31Å; S428-E431 WeakPolarHBondContact OG-CG 3.19Å; S428-E431 PolarHBondContact OG-N 3.24Å; S428-E431 VanDerWaalsContact OG-N 3.11Å; S428-E431 PolarHBondContact OG-OE2 3.23Å; S428-E432 PolarHBondContact O-N 2.8Å; S428-E432 VanDerWaalsContact O-N 3.11Å
429	L	86.8	Confident	77.8	Confident	0 Å²	0	53.3 Å²	53.3	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-64.8	-31.5	176.4	-162.7	72.5	0	0	0	111.2	L134 V150 R161 E432 M433	L134-L429 HydrophobicContact CB-CD2 3.36Å; L134-L429 HydrophobicContact CD1-CD2 4.42Å; L134-L429 HydrophobicContact CG-CD2 4.45Å; V150-L429 HydrophobicContact CG2-CD2 4.43Å; R161-L429 HydrophobicContact CG-CD1 4.03Å; L429-E432 PolarHBondContact O-N 2.78Å; L429-M433 HydrophobicContact CD1-CE 3.96Å; L429-M433 HydrophobicContact CD2-CE 3.74Å; L429-M433 HydrophobicContact CD2-SD 3.98Å; L429-M433 HydrophobicContact CG-CE 3.8Å; L429-M433 HydrophobicContact CG-CG 4.16Å; L429-M433 HydrophobicContact CG-SD 3.87Å; L429-M433 VanDerWaalsContact O-CB 3.25Å; L429-M433 WeakPolarHBondContact O-CB 3.28Å; L429-M433 VanDerWaalsContact O-CG 3.24Å; L429-M433 WeakPolarHBondContact O-CG 3.47Å; L429-M433 PolarHBondContact O-N 3.32Å
430	E	82.8	Confident	75.4	Confident	53 Å²	53	55.7 Å²	55.7	25%	0.248	28%	0.275	C	S	.	.	H	α-helix	trans	-62.6	-43.7	174.5	-176.7	169.2	-164.9	0	0	112.1	I135 Q139 S428 M433 K434	I135-E430 HydrophobicContact CG2-CB 4.44Å; Q139-E430 VanDerWaalsContact NE2-CD 3.29Å; Q139-E430 PolarHBondContact NE2-OE1 2.76Å; Q139-E430 PolarHBondContact NE2-OE2 3.09Å; S428-E430 PolarHBondContact O-N 2.82Å; E430-M433 PolarHBondContact O-N 2.82Å; E430-K434 HydrophobicContact CG-CD 3.67Å; E430-K434 HydrophobicContact CG-CG 4.14Å; E430-K434 VanDerWaalsContact O-CB 3.24Å; E430-K434 WeakPolarHBondContact O-CB 3.49Å; E430-K434 PolarHBondContact O-N 2.97Å; E430-K434 VanDerWaalsContact OE1-CE 3.32Å; E430-K434 WeakPolarHBondContact OE1-CE 3.22Å; E430-K434 IonicContact OE1-NZ 2.79Å; E430-K434 PolarHBondContact OE1-NZ 3.28Å
431	E	80.6	Confident	73	Confident	92 Å²	92	60.2 Å²	60.2	43%	0.43	30%	0.3	S	S	.	.	H	α-helix	trans	-62.3	-45.3	174.4	-75.3	164.3	161.9	0	0	111.5	S428 M433 L435	S428-E431 PolarHBondContact N-OE2 2.93Å; S428-E431 PolarHBondContact O-N 2.67Å; S428-E431 WeakPolarHBondContact OG-CB 3.42Å; S428-E431 VanDerWaalsContact OG-CD 3.31Å; S428-E431 WeakPolarHBondContact OG-CG 3.19Å; S428-E431 PolarHBondContact OG-N 3.24Å; S428-E431 VanDerWaalsContact OG-N 3.11Å; S428-E431 PolarHBondContact OG-OE2 3.23Å; E431-M433 VanDerWaalsContact C-N 3.34Å; E431-M433 PolarHBondContact O-N 2.93Å; E431-L435 HydrophobicContact CG-CD1 4.32Å; E431-L435 CarbonylContact O-C 3.58Å; E431-L435 VanDerWaalsContact O-C 3.27Å; E431-L435 VanDerWaalsContact O-CA 3.29Å; E431-L435 WeakPolarHBondContact O-CA 3.42Å; E431-L435 WeakPolarHBondContact O-CB 3.34Å; E431-L435 PolarHBondContact O-N 2.89Å
432	E	82.3	Confident	70.8	Confident	0 Å²	0	65 Å²	65	0%	0	33%	0.326	C	S	.	.	H	α-helix	trans	-62	-41.3	176.5	-174.9	-175.4	141.1	0	0	112.1	Y159 R161 S428 L429 Y458 P590	Y159-E432 PolarHBondContact OH-OE1 3.01Å; R161-E432 IonicContact CZ-OE2 3.92Å; R161-E432 IonicContact NE-OE2 2.64Å; R161-E432 PolarHBondContact NE-OE2 3.05Å; R161-E432 IonicContact NH2-OE2 3.31Å; S428-E432 PolarHBondContact O-N 2.8Å; S428-E432 VanDerWaalsContact O-N 3.11Å; L429-E432 PolarHBondContact O-N 2.78Å; E432-Y458 PolarHBondContact OE1-OH 2.86Å; E432-P590 WeakPolarHBondContact OE2-CG 3.48Å
433	M	80.8	Confident	68.8	Low	18 Å²	18	63.8 Å²	63.8	9%	0.089	32%	0.319	C	S	.	.	H	α-helix	trans	-83.5	-34	-173.9	-69.7	-172.8	168.2	0	0	114.2	E131 L134 I135 L429 E430 E431 R462	E131-M433 HydrophobicContact CB-CE 4.29Å; E131-M433 HydrophobicContact CB-SD 3.91Å; E131-M433 HydrophobicContact CG-CE 3.88Å; E131-M433 HydrophobicContact CG-SD 4.01Å; L134-M433 HydrophobicContact CD1-CE 3.98Å; I135-M433 HydrophobicContact CD1-CB 4.16Å; I135-M433 HydrophobicContact CD1-SD 3.89Å; I135-M433 HydrophobicContact CG1-CB 4.49Å; I135-M433 HydrophobicContact CG1-SD 3.67Å; L429-M433 HydrophobicContact CD1-CE 3.96Å; L429-M433 HydrophobicContact CD2-CE 3.74Å; L429-M433 HydrophobicContact CD2-SD 3.98Å; L429-M433 HydrophobicContact CG-CE 3.8Å; L429-M433 HydrophobicContact CG-CG 4.16Å; L429-M433 HydrophobicContact CG-SD 3.87Å; L429-M433 VanDerWaalsContact O-CB 3.25Å; L429-M433 WeakPolarHBondContact O-CB 3.28Å; L429-M433 VanDerWaalsContact O-CG 3.24Å; L429-M433 WeakPolarHBondContact O-CG 3.47Å; L429-M433 PolarHBondContact O-N 3.32Å; E430-M433 PolarHBondContact O-N 2.82Å; E431-M433 VanDerWaalsContact C-N 3.34Å; E431-M433 PolarHBondContact O-N 2.93Å; M433-R462 PolarHBondContact O-NH2 2.68Å
434	K	72.7	Confident	66.8	Low	129 Å²	129	66.9 Å²	66.9	56%	0.561	34%	0.338	S	S	*	.	H	α-helix	trans	-100.7	-36.3	-177.7	-63.7	-172.1	-179.8	176.7	0	114	E430	E430-K434 HydrophobicContact CG-CD 3.67Å; E430-K434 HydrophobicContact CG-CG 4.14Å; E430-K434 VanDerWaalsContact O-CB 3.24Å; E430-K434 WeakPolarHBondContact O-CB 3.49Å; E430-K434 PolarHBondContact O-N 2.97Å; E430-K434 VanDerWaalsContact OE1-CE 3.32Å; E430-K434 WeakPolarHBondContact OE1-CE 3.22Å; E430-K434 IonicContact OE1-NZ 2.79Å; E430-K434 PolarHBondContact OE1-NZ 3.28Å
435	L	57.2	Low	65	Low	121 Å²	121	72.4 Å²	72.4	63%	0.634	37%	0.367	S	S	*	.			trans	-116.4	50.5	-165.5	-75.3	164.4	0	0	0	111.4	E431 P437	E431-L435 HydrophobicContact CG-CD1 4.32Å; E431-L435 CarbonylContact O-C 3.58Å; E431-L435 VanDerWaalsContact O-C 3.27Å; E431-L435 VanDerWaalsContact O-CA 3.29Å; E431-L435 WeakPolarHBondContact O-CA 3.42Å; E431-L435 WeakPolarHBondContact O-CB 3.34Å; E431-L435 PolarHBondContact O-N 2.89Å; L435-P437 WeakPolarHBondContact O-CD 3.43Å
436	S	49.7	Very low	63.6	Low	6 Å²	6	68.6 Å²	68.6	4%	0.042	35%	0.354	C	S	.	.			trans	-104.8	72.5	172.5	-158.7	0	0	0	0	113.2	A438 F538	S436-A438 PolarHBondContact O-N 3.45Å; S436-F538 WeakPolarHBondContact OG-CE1 3.34Å
437	P	40.6	Very low	62	Low	105 Å²	105	70.2 Å²	70.2	68%	0.682	36%	0.364	S	S	*	.			trans	-83	75.2	135.1	33.2	-17.5	0	0	0	107.2	L435 R439	L435-P437 WeakPolarHBondContact O-CD 3.43Å; P437-R439 PolarHBondContact O-N 3.43Å
438	A	43.5	Very low	60.7	Low	10 Å²	10	68.9 Å²	68.9	8%	0.083	37%	0.366	C	S	.	.			trans	-55.5	124.2	150.7	0	0	0	0	0	105.3	S436 S440 L443 F605	S436-A438 PolarHBondContact O-N 3.45Å; A438-S440 PolarHBondContact O-N 3Å; A438-S440 VanDerWaalsContact O-N 3.1Å; A438-L443 HydrophobicContact CB-CD1 4.02Å; A438-L443 HydrophobicContact CB-CG 4.26Å; A438-L443 WeakPolarHBondContact O-CD1 3.33Å; A438-F605 VanDerWaalsContact CA-OXT 3.3Å; A438-F605 WeakPolarHBondContact CA-OXT 3.47Å; A438-F605 HydrophobicContact CB-CB 4.33Å; A438-F605 WeakPolarHBondContact CB-OXT 3.48Å
439	R	46	Very low	59.3	Low	195 Å²	195	73.8 Å²	73.8	74%	0.736	39%	0.385	S	S	*	.			trans	-26.5	114.4	-172.3	-71.7	170.8	167.5	175	-4	111.5	P437 D441 D442	P437-R439 PolarHBondContact O-N 3.43Å; R439-D441 PolarHBondContact O-N 3.12Å; R439-D442 PolarHBondContact O-N 3.08Å
440	S	44.7	Very low	57.9	Low	86 Å²	86	81.9 Å²	81.9	60%	0.601	42%	0.423	S	S	*	.	H	α-helix	trans	-49.9	-22.5	-176.5	55.3	0	0	0	0	113.5	A438 T444	A438-S440 PolarHBondContact O-N 3Å; A438-S440 VanDerWaalsContact O-N 3.1Å; S440-T444 WeakPolarHBondContact O-CG2 3.46Å
441	D	44.9	Very low	56.7	Low	122 Å²	122	81.3 Å²	81.3	65%	0.652	43%	0.431	S	S	*	.	H	α-helix	trans	-75.8	-34.8	-176.3	-55.4	-10.7	0	0	0	111.6	R439 T444	R439-D441 PolarHBondContact O-N 3.12Å; D441-T444 PolarHBondContact O-OG1 3.36Å
442	D	50.7	Low	56.2	Low	102 Å²	102	79.8 Å²	79.8	55%	0.545	43%	0.426	S	S	.	.	H	α-helix	trans	-86.9	-29.6	-179.7	-78	-31	0	0	0	113.1	R439 T444 L445	R439-D442 PolarHBondContact O-N 3.08Å; D442-T444 PolarHBondContact O-N 3.22Å; D442-L445 WeakPolarHBondContact O-CA 3.4Å; D442-L445 VanDerWaalsContact O-CB 3.32Å; D442-L445 WeakPolarHBondContact O-CB 3.41Å; D442-L445 PolarHBondContact O-N 3.36Å
443	L	52.8	Low	56.3	Low	19 Å²	19	80 Å²	80	10%	0.099	43%	0.427	C	S	.	.	H	α-helix	trans	-66.2	-22.6	176.6	-75.6	171.6	0	0	0	112.5	A438 L445 L446 I540	A438-L443 HydrophobicContact CB-CD1 4.02Å; A438-L443 HydrophobicContact CB-CG 4.26Å; A438-L443 WeakPolarHBondContact O-CD1 3.33Å; L443-L445 PolarHBondContact O-N 3.42Å; L443-L446 HydrophobicContact CB-CD1 4.45Å; L443-L446 HydrophobicContact CD2-CD1 3.58Å; L443-L446 HydrophobicContact CD2-CD2 4.22Å; L443-L446 HydrophobicContact CD2-CG 3.95Å; L443-L446 WeakPolarHBondContact O-CB 3.41Å; L443-L446 VanDerWaalsContact O-CG 3.3Å; L443-L446 WeakPolarHBondContact O-CG 3.49Å; L443-L446 PolarHBondContact O-N 3.26Å; L443-I540 HydrophobicContact CB-CG1 4.44Å; L443-I540 HydrophobicContact CD1-CD1 4.35Å; L443-I540 HydrophobicContact CD1-CG1 4.27Å; L443-I540 HydrophobicContact CD2-CD1 4.13Å
444	T	52.3	Low	56.7	Low	86 Å²	86	79.1 Å²	79.1	53%	0.528	42%	0.422	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-20.1	170.8	66.3	0	0	0	0	113.1	S440 D441 D442 R544	S440-T444 WeakPolarHBondContact O-CG2 3.46Å; D441-T444 PolarHBondContact O-OG1 3.36Å; D442-T444 PolarHBondContact O-N 3.22Å; T444-R544 PolarHBondContact O-NH2 3.03Å
445	L	55.3	Low	57.4	Low	126 Å²	126	73.8 Å²	73.8	66%	0.66	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.7	5.2	175.3	-63.1	171.1	0	0	0	112.9	D442 L443 P447	D442-L445 WeakPolarHBondContact O-CA 3.4Å; D442-L445 VanDerWaalsContact O-CB 3.32Å; D442-L445 WeakPolarHBondContact O-CB 3.41Å; D442-L445 PolarHBondContact O-N 3.36Å; L443-L445 PolarHBondContact O-N 3.42Å; L445-P447 WeakPolarHBondContact O-CD 3.45Å
446	L	60	Low	58.9	Low	26 Å²	26	68.2 Å²	68.2	14%	0.136	37%	0.371	C	S	.	.			trans	-52.3	115.7	175	-79.4	176.3	0	0	0	109.7	L443 T448 M455 I540	L443-L446 HydrophobicContact CB-CD1 4.45Å; L443-L446 HydrophobicContact CD2-CD1 3.58Å; L443-L446 HydrophobicContact CD2-CD2 4.22Å; L443-L446 HydrophobicContact CD2-CG 3.95Å; L443-L446 WeakPolarHBondContact O-CB 3.41Å; L443-L446 VanDerWaalsContact O-CG 3.3Å; L443-L446 WeakPolarHBondContact O-CG 3.49Å; L443-L446 PolarHBondContact O-N 3.26Å; L446-T448 PolarHBondContact O-N 3.16Å; L446-T448 VanDerWaalsContact O-N 3.11Å; L446-M455 HydrophobicContact CD1-CG 4.02Å; L446-M455 HydrophobicContact CD2-CB 3.69Å; L446-M455 HydrophobicContact CD2-CG 3.49Å; L446-M455 VanDerWaalsContact CD2-CG 3.49Å; L446-M455 HydrophobicContact CG-CG 4.42Å; L446-I540 HydrophobicContact CD1-CD1 3.93Å
447	P	54.2	Low	60.9	Low	50 Å²	50	68.2 Å²	68.2	33%	0.325	37%	0.37	S	S	.	.			trans	-60.5	121.2	-179.7	-21.6	32.9	0	0	0	108.8	L445 N452	L445-P447 WeakPolarHBondContact O-CD 3.45Å; P447-N452 HydrophobicContact CB-CB 4.01Å; P447-N452 HydrophobicContact CG-CB 4.05Å
448	T	54.6	Low	63.4	Low	63 Å²	63	63.3 Å²	63.3	39%	0.387	34%	0.338	S	S	.	.			trans	-90.7	15.6	173.8	52.7	0	0	0	0	111.8	L446	L446-T448 PolarHBondContact O-N 3.16Å; L446-T448 VanDerWaalsContact O-N 3.11Å
449	H	53	Low	65.6	Low	140 Å²	140	62.9 Å²	62.9	65%	0.648	33%	0.334	S	S	*	.	S	Bend	trans	-106.4	139.2	-175.2	-61.2	-64.8	0	0	0	111	G451 N452	H449-G451 PolarHBondContact O-N 3.3Å; H449-N452 PolarHBondContact O-N 3.1Å
450	E	56.5	Low	67.9	Low	171 Å²	171	53.7 Å²	53.7	80%	0.799	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.3	110.7	170.2	-65.8	174.9	175.4	0	0	109.1
451	G	58	Low	70.3	Confident	40 Å²	40	49.8 Å²	49.8	41%	0.412	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	137.1	-24.6	-177.4	0	0	0	0	0	114.3	H449 K599	H449-G451 PolarHBondContact O-N 3.3Å; G451-K599 PolarHBondContact O-NZ 3.48Å
452	N	70.2	Confident	72.6	Confident	60 Å²	60	44.8 Å²	44.8	32%	0.321	24%	0.244	S	C	.	.	S	Bend	trans	-140.2	44.4	172.7	-144.2	71.4	0	0	0	112.2	P447 H449 S454 K599 E601	P447-N452 HydrophobicContact CB-CB 4.01Å; P447-N452 HydrophobicContact CG-CB 4.05Å; H449-N452 PolarHBondContact O-N 3.1Å; N452-S454 VanDerWaalsContact C-N 3.33Å; N452-K599 PolarHBondContact OD1-NZ 3.03Å; N452-E601 VanDerWaalsContact CG-OE1 3.24Å; N452-E601 PolarHBondContact ND2-OE1 2.99Å; N452-E601 VanDerWaalsContact OD1-CD 3.31Å; N452-E601 PolarHBondContact OD1-OE1 3.45Å; N452-E601 PolarHBondContact OD1-OE2 3.32Å; N452-E601 VanDerWaalsContact OD1-OE2 3.12Å
453	D	84.4	Confident	74.7	Confident	4 Å²	4	39.9 Å²	39.9	2%	0.021	22%	0.218	C	C	.	.			trans	-87.1	5.2	-175.1	63.2	-17	0	0	0	113.8	M455 L456 W457 Y549 N594 H597	D453-M455 VanDerWaalsContact C-N 3.27Å; D453-M455 PolarHBondContact O-N 3.44Å; D453-L456 HydrophobicContact CB-CD1 4.26Å; D453-L456 WeakPolarHBondContact O-CA 3.49Å; D453-L456 WeakPolarHBondContact O-CB 3.29Å; D453-L456 PolarHBondContact O-N 2.87Å; D453-W457 PolarHBondContact O-N 3.37Å; D453-W457 PolarHBondContact OD2-NE1 3.37Å; D453-Y549 HydrophobicContact CB-CE1 4.09Å; D453-Y549 VanDerWaalsContact CB-OH 3.27Å; D453-Y549 WeakPolarHBondContact CB-OH 3.41Å; D453-N594 PolarHBondContact OD1-ND2 3.47Å; D453-N594 PolarHBondContact OD2-ND2 2.86Å; D453-H597 IonicContact OD1-ND1 3.32Å; D453-H597 IonicContact OD2-CE1 2.76Å; D453-H597 IonicContact OD2-ND1 3.96Å
454	S	89.2	Confident	76.7	Confident	0 Å²	0	39 Å²	39	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-57.5	-38.1	-175.3	-58.4	0	0	0	0	112.9	N452 W457 Y458 E601	N452-S454 VanDerWaalsContact C-N 3.33Å; S454-W457 PolarHBondContact O-N 2.86Å; S454-Y458 PolarHBondContact O-N 3.15Å; S454-E601 VanDerWaalsContact CB-OE2 3.28Å; S454-E601 WeakPolarHBondContact CB-OE2 3.32Å; S454-E601 WeakPolarHBondContact OG-CB 3.34Å; S454-E601 PolarHBondContact OG-OE2 2.72Å
455	M	86.6	Confident	78.7	Confident	17 Å²	17	35 Å²	35	8%	0.084	19%	0.189	C	C	.	.	H	α-helix	trans	-69	-35.5	174.1	-173.1	64.8	75.9	0	0	112.1	L446 D453 Y458 L459 L603 F605	L446-M455 HydrophobicContact CD1-CG 4.02Å; L446-M455 HydrophobicContact CD2-CB 3.69Å; L446-M455 HydrophobicContact CD2-CG 3.49Å; L446-M455 VanDerWaalsContact CD2-CG 3.49Å; L446-M455 HydrophobicContact CG-CG 4.42Å; D453-M455 VanDerWaalsContact C-N 3.27Å; D453-M455 PolarHBondContact O-N 3.44Å; M455-Y458 WeakPolarHBondContact O-CB 3.34Å; M455-Y458 PolarHBondContact O-N 2.88Å; M455-Y458 HydrophobicContact SD-CD1 3.92Å; M455-Y458 HydrophobicContact SD-CG 4.46Å; M455-L459 HydrophobicContact CG-CD1 4.36Å; M455-L459 VanDerWaalsContact O-CG 3.3Å; M455-L459 WeakPolarHBondContact O-CG 3.45Å; M455-L459 PolarHBondContact O-N 3.47Å; M455-L603 HydrophobicContact CB-CD2 4.37Å; M455-L603 HydrophobicContact CE-CB 4.07Å; M455-L603 HydrophobicContact CE-CD1 4.41Å; M455-L603 HydrophobicContact CE-CD2 4.28Å; M455-L603 HydrophobicContact CE-CG 4.48Å; M455-L603 HydrophobicContact SD-CD1 4.19Å; M455-F605 HydrophobicContact CE-CD1 4.38Å; M455-F605 HydrophobicContact CE-CE1 4.08Å; M455-F605 HydrophobicContact CE-CZ 4.19Å; M455-F605 HydrophobicContact SD-CE1 4.15Å; M455-F605 HydrophobicContact SD-CZ 4.29Å
456	L	89.4	Confident	80.5	Confident	5 Å²	5	30.6 Å²	30.6	3%	0.026	17%	0.168	C	C	.	.	H	α-helix	trans	-64.1	-45.1	175.8	-58.1	177.3	0	0	0	110	D453 Y458 L459 V460 V545 Y549	D453-L456 HydrophobicContact CB-CD1 4.26Å; D453-L456 WeakPolarHBondContact O-CA 3.49Å; D453-L456 WeakPolarHBondContact O-CB 3.29Å; D453-L456 PolarHBondContact O-N 2.87Å; L456-Y458 VanDerWaalsContact C-N 3.34Å; L456-Y458 PolarHBondContact O-N 3.48Å; L456-L459 PolarHBondContact O-N 3.2Å; L456-V460 VanDerWaalsContact O-CG2 3.23Å; L456-V460 WeakPolarHBondContact O-CG2 3.43Å; L456-V460 PolarHBondContact O-N 2.64Å; L456-V545 HydrophobicContact CD2-CG2 4.17Å; L456-Y549 HydrophobicContact CB-CE1 4.19Å; L456-Y549 HydrophobicContact CD1-CE1 4.47Å; L456-Y549 HydrophobicContact CD1-CE2 4.07Å
457	W	92.5	Very high	82.2	Confident	6 Å²	6	29.4 Å²	29.4	2%	0.023	16%	0.162	C	C	.	.	H	α-helix	trans	-59.9	-41.9	173.6	-77.6	113.3	0	0	0	112.6	I157 D453 S454 L459 V460 L461 Y549 E552 M553 F556 I592 N594 I596	I157-W457 HydrophobicContact CD1-CD2 3.66Å; I157-W457 HydrophobicContact CD1-CE3 4.07Å; I157-W457 HydrophobicContact CD1-CG 3.95Å; I157-W457 HydrophobicContact CD1-CZ2 4.21Å; I157-W457 HydrophobicContact CG1-CD2 3.9Å; I157-W457 HydrophobicContact CG1-CE3 3.77Å; I157-W457 HydrophobicContact CG1-CG 4.41Å; I157-W457 HydrophobicContact CG1-CZ3 4.1Å; I157-W457 HydrophobicContact CG2-CB 4.4Å; D453-W457 PolarHBondContact O-N 3.37Å; D453-W457 PolarHBondContact OD2-NE1 3.37Å; S454-W457 PolarHBondContact O-N 2.86Å; W457-L459 PolarHBondContact O-N 2.89Å; W457-V460 PolarHBondContact O-N 3.31Å; W457-L461 WeakPolarHBondContact O-CB 3.27Å; W457-L461 VanDerWaalsContact O-CG 3.24Å; W457-L461 WeakPolarHBondContact O-CG 3.29Å; W457-L461 PolarHBondContact O-N 3.32Å; W457-Y549 AromaticContact CD2-CD1 3.97Å; W457-Y549 HydrophobicContact CD2-CD1 3.97Å; W457-Y549 HydrophobicContact CD2-CE1 4.28Å; W457-Y549 AromaticContact CE2-CD1 3.62Å; W457-Y549 AromaticContact CE2-CE1 3.71Å; W457-Y549 HydrophobicContact CE3-CD1 4.26Å; W457-Y549 AromaticContact CH2-CD1 3.99Å; W457-Y549 HydrophobicContact CH2-CD1 3.99Å; W457-Y549 AromaticContact CZ2-CD1 3.65Å; W457-Y549 HydrophobicContact CZ2-CD1 3.65Å; W457-Y549 AromaticContact CZ2-CE1 3.99Å; W457-Y549 HydrophobicContact CZ2-CE1 3.99Å; W457-Y549 HydrophobicContact CZ3-CD1 4.27Å; W457-Y549 AromaticContact NE1-CE1 3.61Å; W457-E552 HydrophobicContact CH2-CB 3.98Å; W457-E552 HydrophobicContact CH2-CG 3.86Å; W457-M553 HydrophobicContact CE3-CE 4.31Å; W457-M553 HydrophobicContact CZ3-CE 4.19Å; W457-F556 HydrophobicContact CH2-CE2 4.13Å; W457-F556 HydrophobicContact CH2-CZ 4.12Å; W457-F556 AromaticContact CZ3-CE2 3.93Å; W457-F556 HydrophobicContact CZ3-CE2 3.93Å; W457-F556 HydrophobicContact CZ3-CZ 4.39Å; W457-I592 HydrophobicContact CB-CG2 4.38Å; W457-N594 PolarHBondContact NE1-ND2 3.17Å; W457-I596 HydrophobicContact CZ2-CD1 4.04Å
458	Y	92.1	Very high	84.1	Confident	2 Å²	2	27.2 Å²	27.2	1%	0.008	15%	0.148	C	C	.	.	H	α-helix	trans	-56.5	-47.9	173	173.8	-96.7	0	0	0	112.2	Y159 E432 S454 M455 L456 V460 L461 R462 F538 L603 F605	Y159-Y458 HydrophobicContact CD2-CD2 4.31Å; Y159-Y458 AromaticContact CE2-CD2 3.83Å; Y159-Y458 HydrophobicContact CE2-CD2 3.83Å; Y159-Y458 AromaticContact CE2-CE2 3.74Å; Y159-Y458 HydrophobicContact CE2-CE2 3.74Å; E432-Y458 PolarHBondContact OE1-OH 2.86Å; S454-Y458 PolarHBondContact O-N 3.15Å; M455-Y458 WeakPolarHBondContact O-CB 3.34Å; M455-Y458 PolarHBondContact O-N 2.88Å; M455-Y458 HydrophobicContact SD-CD1 3.92Å; M455-Y458 HydrophobicContact SD-CG 4.46Å; L456-Y458 VanDerWaalsContact C-N 3.34Å; L456-Y458 PolarHBondContact O-N 3.48Å; Y458-V460 VanDerWaalsContact C-N 3.33Å; Y458-V460 PolarHBondContact O-N 3.15Å; Y458-L461 PolarHBondContact O-N 3.48Å; Y458-R462 HydrophobicContact CD1-CG 4.35Å; Y458-R462 HydrophobicContact CE1-CG 3.94Å; Y458-R462 HydrophobicContact CE2-CG 4.33Å; Y458-R462 VanDerWaalsContact O-CG 3.32Å; Y458-R462 WeakPolarHBondContact O-CG 3.33Å; Y458-R462 PolarHBondContact O-N 3.03Å; Y458-R462 PolarHBondContact OH-NH1 3.14Å; Y458-F538 HydrophobicContact CE1-CZ 4.19Å; Y458-L603 HydrophobicContact CD1-CD1 4.34Å; Y458-L603 HydrophobicContact CD2-CD1 3.76Å; Y458-L603 HydrophobicContact CG-CD1 3.61Å; Y458-F605 HydrophobicContact CD1-CE1 4.37Å; Y458-F605 HydrophobicContact CD1-CZ 4.12Å; Y458-F605 AromaticContact CE1-CE1 3.8Å; Y458-F605 HydrophobicContact CE1-CE1 3.8Å; Y458-F605 AromaticContact CE1-CZ 3.68Å; Y458-F605 HydrophobicContact CE1-CZ 3.68Å; Y458-F605 HydrophobicContact CE2-CZ 4.24Å; Y458-F605 AromaticContact CZ-CZ 3.73Å
459	L	90.9	Very high	85.9	Confident	1 Å²	1	27.3 Å²	27.3	1%	0.005	15%	0.145	C	C	.	.	H	α-helix	trans	-63.1	-39.9	178.6	-65.8	165.5	0	0	0	111.8	M455 L456 W457 R462 G463 L531 V534 L535 F538 I540	M455-L459 HydrophobicContact CG-CD1 4.36Å; M455-L459 VanDerWaalsContact O-CG 3.3Å; M455-L459 WeakPolarHBondContact O-CG 3.45Å; M455-L459 PolarHBondContact O-N 3.47Å; L456-L459 PolarHBondContact O-N 3.2Å; W457-L459 PolarHBondContact O-N 2.89Å; L459-R462 PolarHBondContact O-N 3.15Å; L459-G463 PolarHBondContact O-N 3.23Å; L459-L531 HydrophobicContact CB-CD1 4.27Å; L459-L531 WeakPolarHBondContact O-CD1 3.43Å; L459-V534 HydrophobicContact CD2-CG1 4.17Å; L459-L535 HydrophobicContact CB-CD2 4.27Å; L459-L535 HydrophobicContact CD1-CD2 3.79Å; L459-L535 HydrophobicContact CD2-CD2 4.34Å; L459-L535 HydrophobicContact CG-CD2 4.36Å; L459-F538 HydrophobicContact CD2-CD1 4.41Å; L459-F538 HydrophobicContact CD2-CD2 4.41Å; L459-F538 HydrophobicContact CD2-CG 4.32Å; L459-I540 HydrophobicContact CD1-CD1 3.69Å; L459-I540 HydrophobicContact CD2-CD1 4.21Å
460	V	94.2	Very high	87.7	Confident	2 Å²	2	26.7 Å²	26.7	1%	0.012	14%	0.142	C	C	.	.	H	α-helix	trans	-66.2	-41.2	176.3	177	0	0	0	0	111	L456 W457 Y458 R462 G463 A464 L531 V545 M553	L456-V460 VanDerWaalsContact O-CG2 3.23Å; L456-V460 WeakPolarHBondContact O-CG2 3.43Å; L456-V460 PolarHBondContact O-N 2.64Å; W457-V460 PolarHBondContact O-N 3.31Å; Y458-V460 VanDerWaalsContact C-N 3.33Å; Y458-V460 PolarHBondContact O-N 3.15Å; V460-R462 PolarHBondContact O-N 3.5Å; V460-G463 PolarHBondContact O-N 2.99Å; V460-A464 WeakPolarHBondContact O-CB 3.43Å; V460-A464 PolarHBondContact O-N 3.26Å; V460-L531 HydrophobicContact CG2-CD2 4.46Å; V460-V545 HydrophobicContact CG2-CG1 3.73Å; V460-M553 HydrophobicContact CG1-CB 3.8Å; V460-M553 HydrophobicContact CG1-CE 3.72Å; V460-M553 HydrophobicContact CG1-CG 3.94Å
461	L	94.7	Very high	89.5	Confident	4 Å²	4	21.4 Å²	21.4	2%	0.021	12%	0.121	C	C	.	.	H	α-helix	trans	-61.7	-41.5	174.5	-72.2	170.3	0	0	0	111.9	F152 I154 I157 W457 Y458 A464 S465 M553 I592	F152-L461 HydrophobicContact CE2-CB 4.46Å; F152-L461 HydrophobicContact CE2-CD1 4.41Å; F152-L461 HydrophobicContact CE2-CD2 4.08Å; I154-L461 HydrophobicContact CB-CD2 4.48Å; I154-L461 HydrophobicContact CD1-CD2 3.78Å; I154-L461 HydrophobicContact CG1-CD2 4.41Å; I157-L461 HydrophobicContact CG2-CD1 3.83Å; I157-L461 HydrophobicContact CG2-CD2 4.44Å; I157-L461 HydrophobicContact CG2-CG 4.42Å; W457-L461 WeakPolarHBondContact O-CB 3.27Å; W457-L461 VanDerWaalsContact O-CG 3.24Å; W457-L461 WeakPolarHBondContact O-CG 3.29Å; W457-L461 PolarHBondContact O-N 3.32Å; Y458-L461 PolarHBondContact O-N 3.48Å; L461-A464 PolarHBondContact O-N 3.27Å; L461-S465 VanDerWaalsContact O-CB 3.31Å; L461-S465 WeakPolarHBondContact O-CB 3.22Å; L461-S465 PolarHBondContact O-N 3.03Å; L461-S465 PolarHBondContact O-OG 3.48Å; L461-M553 HydrophobicContact CD2-CE 3.56Å; L461-M553 HydrophobicContact CG-CE 4.16Å; L461-I592 HydrophobicContact CD1-CD1 3.85Å
462	R	92.3	Very high	91.1	Very high	16 Å²	16	21.4 Å²	21.4	6%	0.06	12%	0.122	C	C	.	.	H	α-helix	trans	-62.5	-43.7	173.3	-65.8	-68.2	-59	-91.8	0.4	111	E131 M433 Y458 L459 V460 S465 S466 V534	E131-R462 WeakPolarHBondContact OE1-CD 3.39Å; E131-R462 IonicContact OE1-CZ 3.94Å; E131-R462 IonicContact OE1-NE 3.61Å; E131-R462 PolarHBondContact OE1-NE 2.71Å; E131-R462 IonicContact OE1-NH2 3.7Å; E131-R462 IonicContact OE2-CZ 2.78Å; E131-R462 IonicContact OE2-NE 3.58Å; E131-R462 PolarHBondContact OE2-NE 2.92Å; E131-R462 IonicContact OE2-NH2 3.79Å; E131-R462 PolarHBondContact OE2-NH2 3.49Å; M433-R462 PolarHBondContact O-NH2 2.68Å; Y458-R462 HydrophobicContact CD1-CG 4.35Å; Y458-R462 HydrophobicContact CE1-CG 3.94Å; Y458-R462 HydrophobicContact CE2-CG 4.33Å; Y458-R462 VanDerWaalsContact O-CG 3.32Å; Y458-R462 WeakPolarHBondContact O-CG 3.33Å; Y458-R462 PolarHBondContact O-N 3.03Å; Y458-R462 PolarHBondContact OH-NH1 3.14Å; L459-R462 PolarHBondContact O-N 3.15Å; V460-R462 PolarHBondContact O-N 3.5Å; R462-S465 PolarHBondContact O-N 3.49Å; R462-S466 PolarHBondContact O-N 2.89Å; R462-V534 HydrophobicContact CB-CG1 3.87Å; R462-V534 HydrophobicContact CB-CG2 4.15Å
463	G	94.5	Very high	92.2	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-59.1	-46.9	173.9	0	0	0	0	0	112.8	L459 V460 S466 F467 H530	L459-G463 PolarHBondContact O-N 3.23Å; V460-G463 PolarHBondContact O-N 2.99Å; G463-S466 WeakPolarHBondContact O-CB 3.45Å; G463-S466 PolarHBondContact O-N 3.06Å; G463-F467 PolarHBondContact O-N 2.91Å; G463-H530 WeakPolarHBondContact O-CB 3.46Å
464	A	96.1	Very high	92.7	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-65.6	-38	177.1	0	0	0	0	0	112.2	V460 L461 S466 F467 L468 W474 P475 L527 M553	V460-A464 WeakPolarHBondContact O-CB 3.43Å; V460-A464 PolarHBondContact O-N 3.26Å; L461-A464 PolarHBondContact O-N 3.27Å; A464-S466 VanDerWaalsContact C-N 3.33Å; A464-F467 WeakPolarHBondContact O-CB 3.32Å; A464-F467 PolarHBondContact O-N 3.35Å; A464-L468 WeakPolarHBondContact O-CB 3.46Å; A464-L468 PolarHBondContact O-N 2.93Å; A464-W474 HydrophobicContact CB-CE3 4.19Å; A464-W474 HydrophobicContact CB-CZ3 3.83Å; A464-P475 HydrophobicContact CB-CG 4.21Å; A464-L527 HydrophobicContact CB-CD1 4.23Å; A464-M553 HydrophobicContact CB-CG 3.93Å; A464-M553 HydrophobicContact CB-SD 4Å
465	S	93.9	Very high	93.1	Very high	2 Å²	2	21.7 Å²	21.7	1%	0.014	12%	0.118	C	C	.	.	H	α-helix	trans	-65	-38	174.6	-59.5	0	0	0	0	111.5	A129 L461 R462 L468 M469	A129-S465 WeakPolarHBondContact O-CB 3.48Å; A129-S465 PolarHBondContact O-OG 3.24Å; L461-S465 VanDerWaalsContact O-CB 3.31Å; L461-S465 WeakPolarHBondContact O-CB 3.22Å; L461-S465 PolarHBondContact O-N 3.03Å; L461-S465 PolarHBondContact O-OG 3.48Å; R462-S465 PolarHBondContact O-N 3.49Å; S465-L468 PolarHBondContact O-N 3.44Å; S465-M469 WeakPolarHBondContact O-CB 3.44Å; S465-M469 VanDerWaalsContact O-CG 3.3Å; S465-M469 WeakPolarHBondContact O-CG 3.41Å; S465-M469 PolarHBondContact O-N 2.62Å
466	S	93.2	Very high	93.5	Very high	33 Å²	33	20.9 Å²	20.9	23%	0.231	11%	0.114	C	C	.	.	H	α-helix	trans	-64.7	-42.3	172.3	-176.1	0	0	0	0	112.1	R462 G463 A464 M469 E470 H530	R462-S466 PolarHBondContact O-N 2.89Å; G463-S466 WeakPolarHBondContact O-CB 3.45Å; G463-S466 PolarHBondContact O-N 3.06Å; A464-S466 VanDerWaalsContact C-N 3.33Å; S466-M469 PolarHBondContact O-N 3.4Å; S466-E470 PolarHBondContact O-N 2.82Å; S466-H530 PolarHBondContact O-CE1 3.08Å; S466-H530 PolarHBondContact O-ND1 3.17Å; S466-H530 PolarHBondContact OG-ND1 2.96Å
467	F	95.8	Very high	93.6	Very high	1 Å²	1	21.4 Å²	21.4	0%	0.004	12%	0.118	C	C	.	.	H	α-helix	trans	-59.4	-49.1	173.6	178.7	-79.1	0	0	0	111	G463 A464 M469 E470 T471 R473 P475 D523 T526 L527 H530	G463-F467 PolarHBondContact O-N 2.91Å; A464-F467 WeakPolarHBondContact O-CB 3.32Å; A464-F467 PolarHBondContact O-N 3.35Å; F467-M469 VanDerWaalsContact C-N 3.29Å; F467-M469 PolarHBondContact O-N 2.87Å; F467-E470 PolarHBondContact O-N 3.3Å; F467-E470 VanDerWaalsContact O-N 3.08Å; F467-T471 HydrophobicContact CD1-CG2 4.07Å; F467-T471 WeakPolarHBondContact CD1-OG1 3.4Å; F467-T471 HydrophobicContact CD2-CG2 4.28Å; F467-T471 HydrophobicContact CE1-CG2 3.8Å; F467-T471 WeakPolarHBondContact CE1-OG1 3.36Å; F467-T471 HydrophobicContact CE2-CG2 4.03Å; F467-T471 HydrophobicContact CG-CG2 4.3Å; F467-T471 HydrophobicContact CZ-CG2 3.78Å; F467-T471 PolarHBondContact O-N 3.03Å; F467-T471 PolarHBondContact O-OG1 3.42Å; F467-R473 WeakPolarHBondContact CD1-O 3.44Å; F467-R473 HydrophobicContact CE1-CG 4.41Å; F467-R473 WeakPolarHBondContact CE1-O 3.35Å; F467-P475 HydrophobicContact CB-CG 4.16Å; F467-P475 HydrophobicContact CD1-CB 4.34Å; F467-P475 HydrophobicContact CD1-CG 3.63Å; F467-P475 HydrophobicContact CD2-CG 4.41Å; F467-P475 HydrophobicContact CE1-CB 4.3Å; F467-P475 HydrophobicContact CE1-CG 4.07Å; F467-P475 HydrophobicContact CG-CG 3.83Å; F467-D523 HydrophobicContact CE2-CB 4.45Å; F467-D523 HydrophobicContact CZ-CB 4.34Å; F467-T526 HydrophobicContact CD2-CG2 3.9Å; F467-T526 HydrophobicContact CE2-CG2 3.68Å; F467-L527 HydrophobicContact CB-CD1 4.34Å; F467-H530 HydrophobicContact CB-CB 4.48Å; F467-H530 AromaticContact CD2-CD2 3.89Å; F467-H530 PolarHBondContact N-ND1 2.99Å
468	L	94.6	Very high	93.4	Very high	4 Å²	4	25.3 Å²	25.3	2%	0.021	15%	0.146	C	C	.	.	H	α-helix	trans	-56.1	-42.8	178.3	167.3	65.8	0	0	0	112.3	A129 R130 A464 S465 E470 G472 R473 W474 Y481	A129-L468 HydrophobicContact CB-CD2 4.38Å; R130-L468 HydrophobicContact CG-CD2 4.04Å; R130-L468 HydrophobicContact CG-CG 4.42Å; A464-L468 WeakPolarHBondContact O-CB 3.46Å; A464-L468 PolarHBondContact O-N 2.93Å; S465-L468 PolarHBondContact O-N 3.44Å; L468-E470 VanDerWaalsContact C-N 3.26Å; L468-E470 PolarHBondContact O-N 3.46Å; L468-G472 VanDerWaalsContact O-CA 3.3Å; L468-G472 WeakPolarHBondContact O-CA 3.36Å; L468-G472 PolarHBondContact O-N 3.23Å; L468-R473 WeakPolarHBondContact CA-O 3.28Å; L468-W474 HydrophobicContact CB-CE3 4.22Å; L468-W474 HydrophobicContact CB-CZ3 4.27Å; L468-W474 HydrophobicContact CD2-CD2 4.27Å; L468-W474 HydrophobicContact CD2-CE3 4.41Å; L468-W474 HydrophobicContact CD2-CH2 3.76Å; L468-W474 HydrophobicContact CD2-CZ2 3.62Å; L468-W474 HydrophobicContact CD2-CZ3 4.17Å; L468-Y481 HydrophobicContact CD1-CD1 3.65Å; L468-Y481 HydrophobicContact CD1-CD2 4.31Å; L468-Y481 HydrophobicContact CD1-CE1 4.32Å; L468-Y481 HydrophobicContact CD1-CG 3.59Å; L468-Y481 HydrophobicContact CD2-CD1 3.74Å; L468-Y481 HydrophobicContact CD2-CE1 3.53Å; L468-Y481 HydrophobicContact CD2-CE2 4.49Å; L468-Y481 HydrophobicContact CD2-CG 4.23Å; L468-Y481 HydrophobicContact CG-CD1 4.17Å; L468-Y481 HydrophobicContact CG-CE1 4.42Å
469	M	90.9	Very high	93.1	Very high	66 Å²	66	30.3 Å²	30.3	33%	0.325	17%	0.17	S	C	.	.	H	α-helix	trans	-63.1	-31.3	178.7	-80.6	-66.3	-46.3	0	0	113.4	R130 K132 S465 S466 F467	R130-M469 HydrophobicContact CB-SD 3.46Å; R130-M469 WeakPolarHBondContact CB-SD 3.26Å; R130-M469 HydrophobicContact CG-SD 3.66Å; K132-M469 HydrophobicContact CB-CE 3.87Å; K132-M469 HydrophobicContact CB-SD 4.49Å; K132-M469 HydrophobicContact CD-CE 3.5Å; K132-M469 HydrophobicContact CG-CE 3.67Å; S465-M469 WeakPolarHBondContact O-CB 3.44Å; S465-M469 VanDerWaalsContact O-CG 3.3Å; S465-M469 WeakPolarHBondContact O-CG 3.41Å; S465-M469 PolarHBondContact O-N 2.62Å; S466-M469 PolarHBondContact O-N 3.4Å; F467-M469 VanDerWaalsContact C-N 3.29Å; F467-M469 PolarHBondContact O-N 2.87Å
470	E	91.8	Very high	92.9	Very high	126 Å²	126	34.1 Å²	34.1	59%	0.589	19%	0.194	S	C	*	.	H	α-helix	trans	-90.1	-37.4	-177.9	-166.7	167.1	163.9	0	0	111.8	S466 F467 L468 H530 R533	S466-E470 PolarHBondContact O-N 2.82Å; F467-E470 PolarHBondContact O-N 3.3Å; F467-E470 VanDerWaalsContact O-N 3.08Å; L468-E470 VanDerWaalsContact C-N 3.26Å; L468-E470 PolarHBondContact O-N 3.46Å; E470-H530 IonicContact OE2-CE1 2.68Å; E470-H530 PolarHBondContact OE2-CE1 2.76Å; E470-H530 IonicContact OE2-NE2 3.96Å; E470-R533 IonicContact OE2-NH1 3.01Å; E470-R533 PolarHBondContact OE2-NH1 3.44Å
471	T	93.8	Very high	92.5	Very high	60 Å²	60	35.1 Å²	35.1	37%	0.368	20%	0.198	S	C	.	.	H	α-helix	trans	-99.8	-17.3	-174	67.9	0	0	0	0	114.4	F467 R473	F467-T471 HydrophobicContact CD1-CG2 4.07Å; F467-T471 WeakPolarHBondContact CD1-OG1 3.4Å; F467-T471 HydrophobicContact CD2-CG2 4.28Å; F467-T471 HydrophobicContact CE1-CG2 3.8Å; F467-T471 WeakPolarHBondContact CE1-OG1 3.36Å; F467-T471 HydrophobicContact CE2-CG2 4.03Å; F467-T471 HydrophobicContact CG-CG2 4.3Å; F467-T471 HydrophobicContact CZ-CG2 3.78Å; F467-T471 PolarHBondContact O-N 3.03Å; F467-T471 PolarHBondContact O-OG1 3.42Å; T471-R473 PolarHBondContact O-N 3.44Å; T471-R473 PolarHBondContact OG1-N 3.43Å; T471-R473 PolarHBondContact OG1-O 3.28Å
472	G	92.1	Very high	91.8	Very high	41 Å²	41	36.1 Å²	36.1	42%	0.423	20%	0.204	S	C	.	.	S	Bend	trans	75.6	6.1	-175.4	0	0	0	0	0	114.9	L468 Y481	L468-G472 VanDerWaalsContact O-CA 3.3Å; L468-G472 WeakPolarHBondContact O-CA 3.36Å; L468-G472 PolarHBondContact O-N 3.23Å; G472-Y481 WeakPolarHBondContact O-CB 3.34Å; G472-Y481 PolarHBondContact O-N 3.21Å
473	R	94	Very high	90.9	Very high	57 Å²	57	37 Å²	37	22%	0.215	21%	0.212	C	C	.	.	S	Bend	trans	-141.7	160.2	178.1	64.9	-178.7	-173.7	69	5.3	111.7	F467 L468 T471 S477 Q479 D523	F467-R473 WeakPolarHBondContact CD1-O 3.44Å; F467-R473 HydrophobicContact CE1-CG 4.41Å; F467-R473 WeakPolarHBondContact CE1-O 3.35Å; L468-R473 WeakPolarHBondContact CA-O 3.28Å; T471-R473 PolarHBondContact O-N 3.44Å; T471-R473 PolarHBondContact OG1-N 3.43Å; T471-R473 PolarHBondContact OG1-O 3.28Å; R473-S477 VanDerWaalsContact CD-O 3.23Å; R473-S477 WeakPolarHBondContact CD-O 3.41Å; R473-S477 PolarHBondContact NH1-O 2.99Å; R473-Q479 VanDerWaalsContact CB-O 3.25Å; R473-Q479 WeakPolarHBondContact CB-O 3.38Å; R473-D523 IonicContact CZ-OD1 3.87Å; R473-D523 IonicContact CZ-OD2 2.7Å; R473-D523 IonicContact NH1-OD1 3.37Å; R473-D523 IonicContact NH1-OD2 3.9Å; R473-D523 PolarHBondContact NH1-OD2 2.79Å; R473-D523 IonicContact NH2-OD1 3.46Å; R473-D523 PolarHBondContact NH2-OD1 2.89Å; R473-D523 IonicContact NH2-OD2 3Å; R473-D523 PolarHBondContact NH2-OD2 3.05Å
474	W	95	Very high	89.6	Confident	12 Å²	12	41.6 Å²	41.6	5%	0.045	24%	0.24	C	C	.	.			trans	-72.3	150.1	172.2	-73.4	111.7	0	0	0	111.9	A129 I154 A464 L468 G476 S477 Y481 G558	A129-W474 HydrophobicContact CB-CH2 3.39Å; A129-W474 HydrophobicContact CB-CZ2 3.65Å; I154-W474 HydrophobicContact CD1-CD2 4.34Å; I154-W474 HydrophobicContact CD1-CE3 4Å; I154-W474 HydrophobicContact CD1-CH2 3.17Å; I154-W474 HydrophobicContact CD1-CZ2 3.54Å; I154-W474 HydrophobicContact CD1-CZ3 3.42Å; I154-W474 VanDerWaalsContact CD1-CZ3 3.42Å; I154-W474 HydrophobicContact CG1-CH2 4.29Å; I154-W474 HydrophobicContact CG1-CZ2 4.22Å; A464-W474 HydrophobicContact CB-CE3 4.19Å; A464-W474 HydrophobicContact CB-CZ3 3.83Å; L468-W474 HydrophobicContact CB-CE3 4.22Å; L468-W474 HydrophobicContact CB-CZ3 4.27Å; L468-W474 HydrophobicContact CD2-CD2 4.27Å; L468-W474 HydrophobicContact CD2-CE3 4.41Å; L468-W474 HydrophobicContact CD2-CH2 3.76Å; L468-W474 HydrophobicContact CD2-CZ2 3.62Å; L468-W474 HydrophobicContact CD2-CZ3 4.17Å; W474-G476 PolarHBondContact O-N 3.28Å; W474-S477 WeakPolarHBondContact O-CB 3.37Å; W474-S477 PolarHBondContact O-N 3.14Å; W474-Y481 AromaticContact CD1-CD2 3.7Å; W474-Y481 AromaticContact CE2-CE2 3.85Å; W474-Y481 HydrophobicContact CZ2-CE2 4.13Å; W474-Y481 AromaticContact NE1-CD2 3.26Å; W474-Y481 VanDerWaalsContact NE1-CD2 3.26Å; W474-Y481 AromaticContact NE1-CE2 3.1Å; W474-Y481 AromaticContact NE1-CZ 3.96Å; W474-G558 VanDerWaalsContact CD1-CA 3.43Å; W474-G558 VanDerWaalsContact CG-CA 3.47Å
475	P	96.3	Very high	87.6	Confident	1 Å²	1	45.7 Å²	45.7	1%	0.006	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.3	138.5	170.3	-19.5	29.9	0	0	0	111.2	A464 F467 S477 L527	A464-P475 HydrophobicContact CB-CG 4.21Å; F467-P475 HydrophobicContact CB-CG 4.16Å; F467-P475 HydrophobicContact CD1-CB 4.34Å; F467-P475 HydrophobicContact CD1-CG 3.63Å; F467-P475 HydrophobicContact CD2-CG 4.41Å; F467-P475 HydrophobicContact CE1-CB 4.3Å; F467-P475 HydrophobicContact CE1-CG 4.07Å; F467-P475 HydrophobicContact CG-CG 3.83Å; P475-S477 PolarHBondContact O-N 3.18Å; P475-L527 HydrophobicContact CB-CD2 4.02Å; P475-L527 HydrophobicContact CG-CD1 3.85Å; P475-L527 HydrophobicContact CG-CD2 4.12Å; P475-L527 HydrophobicContact CG-CG 4.43Å
476	G	94.9	Very high	85.2	Confident	0 Å²	0	53.1 Å²	53.1	0%	0	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	77.2	-8	-179.4	0	0	0	0	0	115.5	W474 D523 R557	W474-G476 PolarHBondContact O-N 3.28Å; G476-D523 PolarHBondContact N-OD2 3.32Å; G476-R557 WeakPolarHBondContact O-CG 3.24Å; G476-R557 PolarHBondContact O-NH1 2.64Å
477	S	92.2	Very high	82.7	Confident	16 Å²	16	59.9 Å²	59.9	11%	0.112	33%	0.326	C	S	.	.			trans	-96.3	141.1	176.1	-174.5	0	0	0	0	111.7	R473 W474 P475 Q479 R557	R473-S477 VanDerWaalsContact CD-O 3.23Å; R473-S477 WeakPolarHBondContact CD-O 3.41Å; R473-S477 PolarHBondContact NH1-O 2.99Å; W474-S477 WeakPolarHBondContact O-CB 3.37Å; W474-S477 PolarHBondContact O-N 3.14Å; P475-S477 PolarHBondContact O-N 3.18Å; S477-Q479 PolarHBondContact OG-N 3.37Å; S477-Q479 VanDerWaalsContact OG-N 3.14Å; S477-Q479 PolarHBondContact OG-O 2.96Å; S477-R557 WeakPolarHBondContact CB-O 3.5Å
478	S	88.5	Confident	79.6	Confident	87 Å²	87	64.7 Å²	64.7	61%	0.608	36%	0.36	S	S	*	.			trans	-86.6	-16.3	168	53.3	0	0	0	0	113.3
479	Q	86.1	Confident	76.4	Confident	107 Å²	107	70 Å²	70	50%	0.5	40%	0.397	S	S	.	.	S	Bend	trans	-91.7	144.1	-173	-67.2	-168.5	-10.7	0	0	112	R473 S477	R473-Q479 VanDerWaalsContact CB-O 3.25Å; R473-Q479 WeakPolarHBondContact CB-O 3.38Å; S477-Q479 PolarHBondContact OG-N 3.37Å; S477-Q479 VanDerWaalsContact OG-N 3.14Å; S477-Q479 PolarHBondContact OG-O 2.96Å
480	P	86.8	Confident	73.5	Confident	81 Å²	81	73.9 Å²	73.9	53%	0.526	42%	0.419	S	S	.	.			trans	-64.3	152.8	173.5	29.4	-34.8	0	0	0	110.8	T482	P480-T482 VanDerWaalsContact C-N 3.27Å; P480-T482 PolarHBondContact O-N 2.88Å
481	Y	85.5	Confident	70.4	Confident	24 Å²	24	75.9 Å²	75.9	9%	0.094	43%	0.434	C	S	.	.	S	Bend	trans	-70.5	-22.6	-178.8	-175.6	-136.4	0	0	0	114.1	R35 A129 R130 L468 G472 W474	R35-Y481 VanDerWaalsContact CZ-CZ 3.5Å; R35-Y481 PolarHBondContact NH1-OH 2.95Å; R35-Y481 VanDerWaalsContact NH1-OH 3.08Å; R35-Y481 PolarHBondContact NH2-O 3.03Å; A129-Y481 PolarHBondContact N-OH 3.2Å; R130-Y481 HydrophobicContact CG-CE1 4.13Å; L468-Y481 HydrophobicContact CD1-CD1 3.65Å; L468-Y481 HydrophobicContact CD1-CD2 4.31Å; L468-Y481 HydrophobicContact CD1-CE1 4.32Å; L468-Y481 HydrophobicContact CD1-CG 3.59Å; L468-Y481 HydrophobicContact CD2-CD1 3.74Å; L468-Y481 HydrophobicContact CD2-CE1 3.53Å; L468-Y481 HydrophobicContact CD2-CE2 4.49Å; L468-Y481 HydrophobicContact CD2-CG 4.23Å; L468-Y481 HydrophobicContact CG-CD1 4.17Å; L468-Y481 HydrophobicContact CG-CE1 4.42Å; G472-Y481 WeakPolarHBondContact O-CB 3.34Å; G472-Y481 PolarHBondContact O-N 3.21Å; W474-Y481 AromaticContact CD1-CD2 3.7Å; W474-Y481 AromaticContact CE2-CE2 3.85Å; W474-Y481 HydrophobicContact CZ2-CE2 4.13Å; W474-Y481 AromaticContact NE1-CD2 3.26Å; W474-Y481 VanDerWaalsContact NE1-CD2 3.26Å; W474-Y481 AromaticContact NE1-CE2 3.1Å; W474-Y481 AromaticContact NE1-CZ 3.96Å
482	T	80	Confident	67.3	Low	24 Å²	24	81.8 Å²	81.8	15%	0.147	46%	0.458	C	S	.	.	S	Bend	trans	-126.6	131.6	177.8	-47	0	0	0	0	108.6	D60 S61 P480 T484	D60-T482 WeakPolarHBondContact OD2-CG2 3.41Å; S61-T482 WeakPolarHBondContact OG-CG2 3.1Å; P480-T482 VanDerWaalsContact C-N 3.27Å; P480-T482 PolarHBondContact O-N 2.88Å; T482-T484 HydrophobicContact CG2-CG2 3.85Å
483	T	72.5	Confident	64.3	Low	36 Å²	36	86.9 Å²	86.9	22%	0.221	48%	0.475	C	S	.	.			trans	-108.2	94.9	-178.2	42.8	0	0	0	0	110.2	Y62 T64	Y62-T483 PolarHBondContact N-O 2.92Å; Y62-T483 PolarHBondContact O-OG1 3.27Å; T64-T483 HydrophobicContact CG2-CG2 4.07Å
484	T	67.6	Low	61.3	Low	95 Å²	95	89.8 Å²	89.8	58%	0.583	50%	0.502	S	S	*	.			trans	-100.1	4.7	-172.8	52.1	0	0	0	0	115.1	T482 K486	T482-T484 HydrophobicContact CG2-CG2 3.85Å; T484-K486 PolarHBondContact O-N 2.78Å
485	S	53.3	Low	58.1	Low	87 Å²	87	96.8 Å²	96.8	61%	0.608	54%	0.54	S	S	*	.			trans	-84.7	114.1	-176.7	64.9	0	0	0	0	112.9	F487	S485-F487 PolarHBondContact O-N 3.33Å
486	K	44.7	Very low	55.1	Low	158 Å²	158	102.1 Å²	102.1	69%	0.687	58%	0.577	S	S	*	*			trans	-58	122.7	154.4	-79.5	-178.7	175.8	174.9	0	107.8	Y62 T484 S488	Y62-K486 HydrophobicContact CE1-CG 4.36Å; Y62-K486 HydrophobicContact CE2-CG 4.33Å; Y62-K486 WeakPolarHBondContact OH-CE 3.24Å; Y62-K486 VanDerWaalsContact OH-CG 3.28Å; Y62-K486 WeakPolarHBondContact OH-CG 3.34Å; T484-K486 PolarHBondContact O-N 2.78Å; K486-S488 PolarHBondContact O-N 2.85Å
487	F	39.6	Very low	51.9	Low	174 Å²	174	109.6 Å²	109.6	76%	0.763	62%	0.623	S	S	*	*			trans	-56.6	105.8	163.2	-95.4	-88.2	0	0	0	107.5	S485 S489	S485-F487 PolarHBondContact O-N 3.33Å; F487-S489 PolarHBondContact O-N 3.41Å
488	S	30.9	Very low	48.9	Very low	102 Å²	102	112 Å²	112	71%	0.713	65%	0.65	S	S	*	*			trans	-60.7	108.4	167.5	-66.6	0	0	0	0	106.7	K486 N490	K486-S488 PolarHBondContact O-N 2.85Å; S488-N490 PolarHBondContact O-N 3.35Å
489	S	28.8	Very low	46.3	Very low	116 Å²	116	115.2 Å²	115.2	81%	0.811	66%	0.659	S	S	*	*			trans	-60.7	91.7	165.8	43.3	0	0	0	0	107.8	F487 N491	F487-S489 PolarHBondContact O-N 3.41Å; S489-N491 PolarHBondContact O-N 3.05Å
490	N	29.5	Very low	43.7	Very low	147 Å²	147	115.9 Å²	115.9	79%	0.786	67%	0.673	S	S	*	*			trans	-62.1	111.6	164.8	-93.1	-18.7	0	0	0	107	S488 Q492	S488-N490 PolarHBondContact O-N 3.35Å; N490-Q492 PolarHBondContact O-N 3.39Å
491	N	26.3	Very low	41	Very low	168 Å²	168	117.6 Å²	117.6	90%	0.898	68%	0.681	S	S	*	*			trans	-40	104.2	164.6	-84.1	-31.2	0	0	0	110.1	S489	S489-N491 PolarHBondContact O-N 3.05Å
492	Q	29.6	Very low	38.3	Very low	184 Å²	184	122 Å²	122	86%	0.86	71%	0.712	S	S	*	*			trans	-103.4	117	158.4	-73.9	-166.7	-0.5	0	0	108.2	N490	N490-Q492 PolarHBondContact O-N 3.39Å
493	N	29.2	Very low	35.8	Very low	148 Å²	148	126.2 Å²	126.2	79%	0.791	74%	0.742	S	S	*	*			trans	-45.5	132.2	172.6	-85.1	-34.6	0	0	0	111.5	N495	N493-N495 VanDerWaalsContact C-N 3.25Å; N493-N495 PolarHBondContact O-N 3.48Å
494	P	29.8	Very low	33.5	Very low	119 Å²	119	133 Å²	133	77%	0.773	77%	0.771	S	S	*	*	S	Bend	trans	-81.2	78	169.3	33.7	-29.2	0	0	0	107.9
495	N	28.7	Very low	31.6	Very low	159 Å²	159	135.5 Å²	135.5	85%	0.85	78%	0.776	S	S	*	*			trans	-165	71	166.2	-94.4	-22	0	0	0	110.7	N493	N493-N495 VanDerWaalsContact C-N 3.25Å; N493-N495 PolarHBondContact O-N 3.48Å
496	S	32	Very low	30.2	Very low	113 Å²	113	140.1 Å²	140.1	79%	0.79	79%	0.788	S	S	*	*			trans	-150.1	104.9	151.7	65.3	0	0	0	0	109.7	G498	S496-G498 PolarHBondContact O-N 3.49Å; S496-G498 VanDerWaalsContact O-N 3.11Å
497	T	27.3	Very low	29.5	Very low	157 Å²	157	140.6 Å²	140.6	96%	0.963	79%	0.791	S	S	*	*			trans	-68.2	98.3	166.1	46.7	0	0	0	0	108.7
498	G	30.5	Very low	29.1	Very low	65 Å²	65	135 Å²	135	67%	0.67	77%	0.773	S	S	*	*			trans	-136.2	121.8	172.4	0	0	0	0	0	109.1	S496	S496-G498 PolarHBondContact O-N 3.49Å; S496-G498 VanDerWaalsContact O-N 3.11Å
499	I	33.2	Very low	29.4	Very low	155 Å²	155	133.2 Å²	133.2	80%	0.795	76%	0.764	S	S	*	*			trans	-55.1	133.4	176.5	-63.9	161.2	0	0	0	109.2	V501	I499-V501 PolarHBondContact O-N 3.01Å; I499-V501 VanDerWaalsContact O-N 3.13Å
500	P	31.4	Very low	29.8	Very low	122 Å²	122	132.1 Å²	132.1	79%	0.792	75%	0.753	S	S	*	*			trans	-72.6	109.7	173.4	29.3	-30.3	0	0	0	108.8
501	V	31.1	Very low	30.5	Very low	116 Å²	116	130.2 Å²	130.2	70%	0.703	74%	0.743	S	S	*	*			trans	-80.1	130.8	162	-179.7	0	0	0	0	106.5	I499 C503	I499-V501 PolarHBondContact O-N 3.01Å; I499-V501 VanDerWaalsContact O-N 3.13Å; V501-C503 PolarHBondContact O-N 3.47Å; V501-C503 VanDerWaalsContact O-N 3.09Å
502	P	27.9	Very low	31.8	Very low	116 Å²	116	125.5 Å²	125.5	75%	0.753	72%	0.723	S	S	*	*			trans	-70.5	107.7	171.9	28.8	-30	0	0	0	107.9	E504	P502-E504 PolarHBondContact O-N 3.4Å
503	C	27.7	Very low	33	Very low	113 Å²	113	122.8 Å²	122.8	76%	0.764	71%	0.71	S	S	*	*			trans	-72.6	103.4	162.3	-91.4	0	0	0	0	107.5	V501 E505	V501-C503 PolarHBondContact O-N 3.47Å; V501-C503 VanDerWaalsContact O-N 3.09Å; C503-E505 PolarHBondContact O-N 3.1Å
504	E	23.8	Very low	34.5	Very low	179 Å²	179	121.9 Å²	121.9	84%	0.836	70%	0.701	S	S	*	*			trans	-58.7	90.8	151.5	-72.9	-179.7	158.5	0	0	107.7	P502 Q506	P502-E504 PolarHBondContact O-N 3.4Å; E504-Q506 PolarHBondContact O-N 3.35Å; E504-Q506 VanDerWaalsContact O-N 3.13Å
505	E	27.7	Very low	36.2	Very low	148 Å²	148	121.7 Å²	121.7	69%	0.692	69%	0.693	S	S	*	*			trans	-71.8	99.8	157.8	-77.8	-170.5	166.7	0	0	107.4	C503 F507	C503-E505 PolarHBondContact O-N 3.1Å; E505-F507 HydrophobicContact CB-CD2 4.21Å; E505-F507 PolarHBondContact O-N 2.83Å; E505-F507 WeakPolarHBondContact OE2-CE2 3.42Å
506	Q	24.7	Very low	38.2	Very low	184 Å²	184	115.3 Å²	115.3	86%	0.86	66%	0.661	S	S	*	*			trans	-62.3	78.4	154.4	-73.2	179.9	-16.4	0	0	108.2	E504 S508	E504-Q506 PolarHBondContact O-N 3.35Å; E504-Q506 VanDerWaalsContact O-N 3.13Å; Q506-S508 PolarHBondContact O-N 3.28Å; Q506-S508 VanDerWaalsContact O-N 3.09Å
507	F	30.7	Very low	40.3	Very low	168 Å²	168	114.6 Å²	114.6	74%	0.737	65%	0.646	S	S	*	*			trans	-67.8	102.5	161.3	-114.1	-89.4	0	0	0	106.9	E505 A509	E505-F507 HydrophobicContact CB-CD2 4.21Å; E505-F507 PolarHBondContact O-N 2.83Å; E505-F507 WeakPolarHBondContact OE2-CE2 3.42Å; F507-A509 PolarHBondContact O-N 3.05Å
508	S	30.8	Very low	43	Very low	56 Å²	56	111.9 Å²	111.9	39%	0.392	63%	0.626	S	S	.	*			trans	-61.8	103	173.3	58.1	0	0	0	0	109.1	Q506 T510 N511	Q506-S508 PolarHBondContact O-N 3.28Å; Q506-S508 VanDerWaalsContact O-N 3.09Å; S508-T510 PolarHBondContact O-N 3.03Å; S508-N511 PolarHBondContact O-N 2.98Å; S508-N511 VanDerWaalsContact O-N 3.15Å
509	A	36.5	Very low	45.9	Very low	65 Å²	65	110.2 Å²	110.2	54%	0.537	60%	0.601	S	S	.	*	H	α-helix	trans	-51.4	-24.6	175.4	0	0	0	0	0	113.2	F507 N511 S512 E513	F507-A509 PolarHBondContact O-N 3.05Å; A509-N511 PolarHBondContact O-N 3.04Å; A509-S512 PolarHBondContact O-OG 3.42Å; A509-E513 PolarHBondContact O-N 3.02Å
510	T	37.9	Very low	48.5	Very low	93 Å²	93	103.5 Å²	103.5	57%	0.571	57%	0.567	S	S	*	*	H	α-helix	trans	-63.7	-38.1	178.9	50.6	0	0	0	0	113.9	S508 E514	S508-T510 PolarHBondContact O-N 3.03Å; T510-E514 PolarHBondContact O-N 3.39Å
511	N	44.2	Very low	51.4	Low	106 Å²	106	103.7 Å²	103.7	57%	0.567	56%	0.557	S	S	*	*	H	α-helix	trans	-74.4	-33.1	-177.5	-83.4	-4.6	0	0	0	112.5	S508 A509 L515	S508-N511 PolarHBondContact O-N 2.98Å; S508-N511 VanDerWaalsContact O-N 3.15Å; A509-N511 PolarHBondContact O-N 3.04Å; N511-L515 WeakPolarHBondContact O-CB 3.3Å; N511-L515 PolarHBondContact O-N 2.81Å
512	S	53.7	Low	54.4	Low	69 Å²	69	101.5 Å²	101.5	48%	0.483	55%	0.547	S	S	.	.	H	α-helix	trans	-68.7	-39.6	175.6	35.1	0	0	0	0	111.9	A509 S516	A509-S512 PolarHBondContact O-OG 3.42Å; S512-S516 VanDerWaalsContact O-CB 3.25Å; S512-S516 WeakPolarHBondContact O-CB 3.43Å; S512-S516 PolarHBondContact O-N 3.07Å
513	E	54.8	Low	57.6	Low	128 Å²	128	96.3 Å²	96.3	60%	0.598	51%	0.513	S	S	*	.	H	α-helix	trans	-68	-45.1	178.7	-74.5	-178.1	175.5	0	0	112	A509 L515 S516 M517	A509-E513 PolarHBondContact O-N 3.02Å; E513-L515 PolarHBondContact O-N 3.11Å; E513-S516 WeakPolarHBondContact O-CB 2.96Å; E513-S516 PolarHBondContact O-N 3.34Å; E513-S516 VanDerWaalsContact O-N 3.12Å; E513-S516 PolarHBondContact O-OG 3.38Å; E513-M517 PolarHBondContact O-N 3.34Å
514	E	60.3	Low	60.9	Low	129 Å²	129	92.3 Å²	92.3	60%	0.603	48%	0.484	S	S	*	.	H	α-helix	trans	-59.8	-45.9	176	-87.8	-172.3	163.8	0	0	112.4	T510 S516 M517 N518	T510-E514 PolarHBondContact O-N 3.39Å; E514-S516 PolarHBondContact O-N 3.1Å; E514-M517 PolarHBondContact O-N 3.01Å; E514-N518 PolarHBondContact O-N 3.22Å; E514-N518 PolarHBondContact O-ND2 3.06Å
515	L	64.6	Low	64.3	Low	114 Å²	114	87.5 Å²	87.5	60%	0.597	47%	0.468	S	S	*	.	H	α-helix	trans	-60.2	-38.5	176.3	-161.9	81.9	0	0	0	111	N511 E513 I519	N511-L515 WeakPolarHBondContact O-CB 3.3Å; N511-L515 PolarHBondContact O-N 2.81Å; E513-L515 PolarHBondContact O-N 3.11Å; L515-I519 WeakPolarHBondContact O-CG1 3.5Å; L515-I519 PolarHBondContact O-N 3.21Å
516	S	70.8	Confident	67.6	Low	25 Å²	25	83.1 Å²	83.1	18%	0.175	45%	0.451	C	S	.	.	H	α-helix	trans	-69.3	-35.5	-178.9	89.3	0	0	0	0	113.2	S512 E513 E514 I520 R557	S512-S516 VanDerWaalsContact O-CB 3.25Å; S512-S516 WeakPolarHBondContact O-CB 3.43Å; S512-S516 PolarHBondContact O-N 3.07Å; E513-S516 WeakPolarHBondContact O-CB 2.96Å; E513-S516 PolarHBondContact O-N 3.34Å; E513-S516 VanDerWaalsContact O-N 3.12Å; E513-S516 PolarHBondContact O-OG 3.38Å; E514-S516 PolarHBondContact O-N 3.1Å; S516-I520 PolarHBondContact O-N 2.99Å; S516-R557 VanDerWaalsContact CB-NH2 3.29Å; S516-R557 PolarHBondContact O-NH1 2.84Å; S516-R557 VanDerWaalsContact O-NH1 3.09Å; S516-R557 PolarHBondContact OG-NH2 3.34Å
517	M	76.3	Confident	71	Confident	99 Å²	99	74.4 Å²	74.4	49%	0.488	41%	0.411	S	S	.	.	H	α-helix	trans	-72.5	-41.4	176.7	-74.1	-67.1	-80.1	0	0	111	E513 E514 I519 I520 E521	E513-M517 PolarHBondContact O-N 3.34Å; E514-M517 PolarHBondContact O-N 3.01Å; M517-I519 VanDerWaalsContact C-N 3.26Å; M517-I519 PolarHBondContact O-N 3.38Å; M517-I520 PolarHBondContact O-N 3.03Å; M517-I520 VanDerWaalsContact O-N 3.13Å; M517-E521 PolarHBondContact O-N 3.4Å
518	N	85.5	Confident	74.2	Confident	99 Å²	99	68.7 Å²	68.7	53%	0.529	38%	0.384	S	S	.	.	H	α-helix	trans	-57.9	-38.1	175.9	-78.3	-35.8	0	0	0	112.5	E514 S522	E514-N518 PolarHBondContact O-N 3.22Å; E514-N518 PolarHBondContact O-ND2 3.06Å; N518-S522 VanDerWaalsContact O-CB 3.3Å; N518-S522 WeakPolarHBondContact O-CB 3.28Å; N518-S522 PolarHBondContact O-N 3.05Å; N518-S522 PolarHBondContact O-OG 2.86Å
519	I	89.6	Confident	77.3	Confident	31 Å²	31	70.2 Å²	70.2	16%	0.159	39%	0.387	C	S	.	.	H	α-helix	trans	-65.7	-45.7	176.9	-65.5	166.6	0	0	0	110.7	L515 M517 S522 D523	L515-I519 WeakPolarHBondContact O-CG1 3.5Å; L515-I519 PolarHBondContact O-N 3.21Å; M517-I519 VanDerWaalsContact C-N 3.26Å; M517-I519 PolarHBondContact O-N 3.38Å; I519-S522 WeakPolarHBondContact CA-OG 3.23Å; I519-S522 PolarHBondContact O-N 3.03Å; I519-S522 PolarHBondContact O-OG 3.16Å; I519-D523 WeakPolarHBondContact O-CB 3.38Å; I519-D523 PolarHBondContact O-N 3.19Å
520	I	89.6	Confident	80.1	Confident	13 Å²	13	67.3 Å²	67.3	7%	0.067	36%	0.362	C	S	.	.	H	α-helix	trans	-60.1	-50.5	-179.9	-68.8	173.2	0	0	0	110.4	S516 M517 S522 D523 L524 C554 R557	S516-I520 PolarHBondContact O-N 2.99Å; M517-I520 PolarHBondContact O-N 3.03Å; M517-I520 VanDerWaalsContact O-N 3.13Å; I520-S522 PolarHBondContact O-N 3.38Å; I520-D523 PolarHBondContact O-N 2.97Å; I520-L524 HydrophobicContact CG2-CD1 4.16Å; I520-L524 HydrophobicContact CG2-CG 4.39Å; I520-L524 WeakPolarHBondContact O-CG 3.2Å; I520-L524 PolarHBondContact O-N 2.95Å; I520-C554 HydrophobicContact CB-CB 4.46Å; I520-C554 HydrophobicContact CG1-CB 4.24Å; I520-C554 HydrophobicContact CG2-CB 3.86Å; I520-R557 VanDerWaalsContact CD1-NH2 3.34Å
521	E	91.3	Very high	82.8	Confident	127 Å²	127	63 Å²	63	59%	0.593	34%	0.336	S	S	*	.	H	α-helix	trans	-59.8	-37	178.5	-71.5	-174.2	178.6	0	0	112	M517 P525	M517-E521 PolarHBondContact O-N 3.4Å; E521-P525 VanDerWaalsContact O-CD 3.3Å; E521-P525 WeakPolarHBondContact O-CD 3.49Å
522	S	93	Very high	85.1	Confident	70 Å²	70	60.2 Å²	60.2	49%	0.49	32%	0.321	S	S	.	.	H	α-helix	trans	-72.2	-33.9	177.7	77.5	0	0	0	0	113.8	N518 I519 I520	N518-S522 VanDerWaalsContact O-CB 3.3Å; N518-S522 WeakPolarHBondContact O-CB 3.28Å; N518-S522 PolarHBondContact O-N 3.05Å; N518-S522 PolarHBondContact O-OG 2.86Å; I519-S522 WeakPolarHBondContact CA-OG 3.23Å; I519-S522 PolarHBondContact O-N 3.03Å; I519-S522 PolarHBondContact O-OG 3.16Å; I520-S522 PolarHBondContact O-N 3.38Å
523	D	96.2	Very high	86.9	Confident	6 Å²	6	62.8 Å²	62.8	3%	0.032	32%	0.32	C	S	.	.	H	α-helix	trans	-82.9	-29.4	-175.4	-79.6	-13.6	0	0	0	112.3	F467 R473 G476 I519 I520 T526 L527	F467-D523 HydrophobicContact CE2-CB 4.45Å; F467-D523 HydrophobicContact CZ-CB 4.34Å; R473-D523 IonicContact CZ-OD1 3.87Å; R473-D523 IonicContact CZ-OD2 2.7Å; R473-D523 IonicContact NH1-OD1 3.37Å; R473-D523 IonicContact NH1-OD2 3.9Å; R473-D523 PolarHBondContact NH1-OD2 2.79Å; R473-D523 IonicContact NH2-OD1 3.46Å; R473-D523 PolarHBondContact NH2-OD1 2.89Å; R473-D523 IonicContact NH2-OD2 3Å; R473-D523 PolarHBondContact NH2-OD2 3.05Å; G476-D523 PolarHBondContact N-OD2 3.32Å; I519-D523 WeakPolarHBondContact O-CB 3.38Å; I519-D523 PolarHBondContact O-N 3.19Å; I520-D523 PolarHBondContact O-N 2.97Å; D523-T526 CarbonylContact O-C 3.54Å; D523-T526 WeakPolarHBondContact O-CA 3.38Å; D523-T526 WeakPolarHBondContact O-CB 3.5Å; D523-T526 PolarHBondContact O-N 2.75Å; D523-L527 WeakPolarHBondContact O-CB 3.37Å; D523-L527 PolarHBondContact O-N 3.07Å
524	L	96.2	Very high	88.5	Confident	29 Å²	29	57.3 Å²	57.3	15%	0.152	30%	0.295	C	S	.	.	H	α-helix	trans	-51.5	-50.9	-177.1	-85.9	170.1	0	0	0	114	I520 T526 L527 R528 L550 E551	I520-L524 HydrophobicContact CG2-CD1 4.16Å; I520-L524 HydrophobicContact CG2-CG 4.39Å; I520-L524 WeakPolarHBondContact O-CG 3.2Å; I520-L524 PolarHBondContact O-N 2.95Å; L524-T526 VanDerWaalsContact C-N 3.29Å; L524-T526 PolarHBondContact O-N 2.89Å; L524-L527 PolarHBondContact O-N 3.43Å; L524-R528 WeakPolarHBondContact O-CB 3.49Å; L524-R528 PolarHBondContact O-N 2.91Å; L524-L550 HydrophobicContact CD2-CB 3.74Å; L524-E551 HydrophobicContact CD1-CG 3.82Å; L524-E551 HydrophobicContact CD2-CB 4.46Å; L524-E551 HydrophobicContact CD2-CG 3.81Å; L524-E551 HydrophobicContact CG-CG 4.46Å
525	P	96	Very high	89.9	Confident	79 Å²	79	51.2 Å²	51.2	51%	0.513	27%	0.267	S	S	.	.	H	α-helix	trans	-61.4	-38	176.4	-23	33.7	0	0	0	112.7	E521 R528 I529	E521-P525 VanDerWaalsContact O-CD 3.3Å; E521-P525 WeakPolarHBondContact O-CD 3.49Å; P525-R528 WeakPolarHBondContact O-CB 3.39Å; P525-R528 PolarHBondContact O-N 3.39Å; P525-I529 WeakPolarHBondContact O-CG1 3.44Å; P525-I529 PolarHBondContact O-N 2.89Å; P525-I529 VanDerWaalsContact O-N 3.1Å
526	T	96.3	Very high	90.9	Very high	55 Å²	55	53.2 Å²	53.2	34%	0.337	27%	0.273	S	S	.	.	H	α-helix	trans	-69.7	-47.1	-179.4	-52.7	0	0	0	0	110.5	F467 D523 L524 R528 I529 H530	F467-T526 HydrophobicContact CD2-CG2 3.9Å; F467-T526 HydrophobicContact CE2-CG2 3.68Å; D523-T526 CarbonylContact O-C 3.54Å; D523-T526 WeakPolarHBondContact O-CA 3.38Å; D523-T526 WeakPolarHBondContact O-CB 3.5Å; D523-T526 PolarHBondContact O-N 2.75Å; L524-T526 VanDerWaalsContact C-N 3.29Å; L524-T526 PolarHBondContact O-N 2.89Å; T526-R528 VanDerWaalsContact C-N 3.26Å; T526-R528 PolarHBondContact O-N 3.49Å; T526-I529 WeakPolarHBondContact O-CB 3.43Å; T526-I529 PolarHBondContact O-N 3.13Å; T526-H530 PolarHBondContact O-CD2 2.91Å; T526-H530 VanDerWaalsContact O-CD2 3.25Å; T526-H530 PolarHBondContact O-N 3.21Å; T526-H530 VanDerWaalsContact O-N 3.13Å
527	L	97	Very high	91.4	Very high	2 Å²	2	55.8 Å²	55.8	1%	0.01	29%	0.291	C	S	.	.	H	α-helix	trans	-57.3	-40.6	173.4	178.6	58.3	0	0	0	111.2	A464 F467 P475 D523 L524 I529 H530 L531 L550 M553	A464-L527 HydrophobicContact CB-CD1 4.23Å; F467-L527 HydrophobicContact CB-CD1 4.34Å; P475-L527 HydrophobicContact CB-CD2 4.02Å; P475-L527 HydrophobicContact CG-CD1 3.85Å; P475-L527 HydrophobicContact CG-CD2 4.12Å; P475-L527 HydrophobicContact CG-CG 4.43Å; D523-L527 WeakPolarHBondContact O-CB 3.37Å; D523-L527 PolarHBondContact O-N 3.07Å; L524-L527 PolarHBondContact O-N 3.43Å; L527-I529 VanDerWaalsContact C-N 3.31Å; L527-I529 PolarHBondContact O-N 3.08Å; L527-H530 PolarHBondContact O-N 3.46Å; L527-L531 WeakPolarHBondContact O-CB 2.93Å; L527-L531 PolarHBondContact O-N 3.3Å; L527-L550 HydrophobicContact CD2-CB 4.06Å; L527-L550 HydrophobicContact CD2-CG 4.22Å; L527-L550 HydrophobicContact CG-CD2 4.29Å; L527-L550 HydrophobicContact CG-CG 4.34Å; L527-M553 HydrophobicContact CD2-CB 4.29Å; L527-M553 HydrophobicContact CD2-CG 4.18Å
528	R	96.9	Very high	91.5	Very high	47 Å²	47	51.6 Å²	51.6	18%	0.177	27%	0.27	C	S	.	.	H	α-helix	trans	-59.5	-40.3	174.5	178.9	66.1	75.2	-174.3	5.1	112.2	L524 P525 T526 N532 V545 T547 L550	L524-R528 WeakPolarHBondContact O-CB 3.49Å; L524-R528 PolarHBondContact O-N 2.91Å; P525-R528 WeakPolarHBondContact O-CB 3.39Å; P525-R528 PolarHBondContact O-N 3.39Å; T526-R528 VanDerWaalsContact C-N 3.26Å; T526-R528 PolarHBondContact O-N 3.49Å; R528-N532 VanDerWaalsContact O-CB 3.31Å; R528-N532 WeakPolarHBondContact O-CB 3.19Å; R528-N532 PolarHBondContact O-N 3.45Å; R528-N532 PolarHBondContact O-ND2 3.28Å; R528-V545 PolarHBondContact NH1-O 3.26Å; R528-V545 PolarHBondContact NH2-O 3.43Å; R528-T547 PolarHBondContact NH2-OG1 3.32Å; R528-L550 HydrophobicContact CB-CD2 3.69Å; R528-L550 HydrophobicContact CG-CD2 4.4Å
529	I	96.2	Very high	91.1	Very high	88 Å²	88	50.3 Å²	50.3	45%	0.451	28%	0.28	S	S	.	.	H	α-helix	trans	-61.9	-46.5	175.8	-68.1	164.1	0	0	0	110.5	P525 T526 L527 N532 R533	P525-I529 WeakPolarHBondContact O-CG1 3.44Å; P525-I529 PolarHBondContact O-N 2.89Å; P525-I529 VanDerWaalsContact O-N 3.1Å; T526-I529 WeakPolarHBondContact O-CB 3.43Å; T526-I529 PolarHBondContact O-N 3.13Å; L527-I529 VanDerWaalsContact C-N 3.31Å; L527-I529 PolarHBondContact O-N 3.08Å; I529-N532 PolarHBondContact O-N 3.33Å; I529-R533 WeakPolarHBondContact O-CG 3.49Å; I529-R533 PolarHBondContact O-N 2.84Å; I529-R533 VanDerWaalsContact O-N 3.12Å
530	H	95.3	Very high	90.7	Very high	4 Å²	4	49.7 Å²	49.7	2%	0.019	28%	0.277	C	S	.	.	H	α-helix	trans	-63.1	-46.3	178	-76.9	-86.2	0	0	0	112.6	G463 S466 F467 E470 T526 L527 N532 R533 V534	G463-H530 WeakPolarHBondContact O-CB 3.46Å; S466-H530 PolarHBondContact O-CE1 3.08Å; S466-H530 PolarHBondContact O-ND1 3.17Å; S466-H530 PolarHBondContact OG-ND1 2.96Å; F467-H530 HydrophobicContact CB-CB 4.48Å; F467-H530 AromaticContact CD2-CD2 3.89Å; F467-H530 PolarHBondContact N-ND1 2.99Å; E470-H530 IonicContact OE2-CE1 2.68Å; E470-H530 PolarHBondContact OE2-CE1 2.76Å; E470-H530 IonicContact OE2-NE2 3.96Å; T526-H530 PolarHBondContact O-CD2 2.91Å; T526-H530 VanDerWaalsContact O-CD2 3.25Å; T526-H530 PolarHBondContact O-N 3.21Å; T526-H530 VanDerWaalsContact O-N 3.13Å; L527-H530 PolarHBondContact O-N 3.46Å; H530-N532 VanDerWaalsContact C-N 3.32Å; H530-N532 PolarHBondContact O-N 2.89Å; H530-R533 WeakPolarHBondContact O-CB 3.29Å; H530-R533 PolarHBondContact O-N 3.13Å; H530-V534 PolarHBondContact O-N 3.49Å
531	L	94.5	Very high	90.4	Very high	2 Å²	2	51.6 Å²	51.6	1%	0.01	30%	0.295	C	S	.	.	H	α-helix	trans	-58.5	-44.9	174.6	174.8	62.3	0	0	0	111.2	L459 V460 L527 R533 V534 L535 V545 L550	L459-L531 HydrophobicContact CB-CD1 4.27Å; L459-L531 WeakPolarHBondContact O-CD1 3.43Å; V460-L531 HydrophobicContact CG2-CD2 4.46Å; L527-L531 WeakPolarHBondContact O-CB 2.93Å; L527-L531 PolarHBondContact O-N 3.3Å; L531-R533 VanDerWaalsContact C-N 3.27Å; L531-R533 PolarHBondContact O-N 3.32Å; L531-V534 CarbonylContact O-C 3.58Å; L531-V534 WeakPolarHBondContact O-CA 3.35Å; L531-V534 WeakPolarHBondContact O-CB 3.49Å; L531-V534 PolarHBondContact O-N 3.11Å; L531-L535 HydrophobicContact CD1-CD1 4.23Å; L531-L535 HydrophobicContact CD1-CD2 4.29Å; L531-L535 HydrophobicContact CD1-CG 3.99Å; L531-L535 HydrophobicContact CD2-CD1 4.34Å; L531-L535 HydrophobicContact CG-CD1 3.88Å; L531-L535 HydrophobicContact CG-CG 4.09Å; L531-L535 WeakPolarHBondContact O-CG 3.5Å; L531-L535 PolarHBondContact O-N 3.18Å; L531-V545 HydrophobicContact CD2-CB 3.98Å; L531-V545 HydrophobicContact CD2-CG1 3.82Å; L531-V545 HydrophobicContact CD2-CG2 4.35Å; L531-L550 HydrophobicContact CD2-CD1 3.65Å; L531-L550 HydrophobicContact CD2-CD2 4.25Å; L531-L550 HydrophobicContact CD2-CG 4.17Å
532	N	93.8	Very high	90	Very high	49 Å²	49	48.7 Å²	48.7	26%	0.262	29%	0.289	S	S	.	.	H	α-helix	trans	-61.6	-34.4	179.5	-75.3	-17	0	0	0	112.6	R528 I529 H530 V534 L535 Q536 S542	R528-N532 VanDerWaalsContact O-CB 3.31Å; R528-N532 WeakPolarHBondContact O-CB 3.19Å; R528-N532 PolarHBondContact O-N 3.45Å; R528-N532 PolarHBondContact O-ND2 3.28Å; I529-N532 PolarHBondContact O-N 3.33Å; H530-N532 VanDerWaalsContact C-N 3.32Å; H530-N532 PolarHBondContact O-N 2.89Å; N532-V534 VanDerWaalsContact C-N 3.33Å; N532-L535 PolarHBondContact O-N 3.2Å; N532-Q536 VanDerWaalsContact O-CB 3.25Å; N532-Q536 WeakPolarHBondContact O-CB 3.44Å; N532-Q536 PolarHBondContact O-N 2.91Å; N532-S542 VanDerWaalsContact OD1-CB 3.26Å; N532-S542 WeakPolarHBondContact OD1-CB 3.25Å
533	R	90.8	Very high	89.5	Confident	122 Å²	122	51.7 Å²	51.7	46%	0.46	30%	0.3	S	S	.	.	H	α-helix	trans	-61.7	-42.2	172.8	-67.3	172	-174.4	166.3	0.7	111.1	E470 I529 H530 L531 S537	E470-R533 IonicContact OE2-NH1 3.01Å; E470-R533 PolarHBondContact OE2-NH1 3.44Å; I529-R533 WeakPolarHBondContact O-CG 3.49Å; I529-R533 PolarHBondContact O-N 2.84Å; I529-R533 VanDerWaalsContact O-N 3.12Å; H530-R533 WeakPolarHBondContact O-CB 3.29Å; H530-R533 PolarHBondContact O-N 3.13Å; L531-R533 VanDerWaalsContact C-N 3.27Å; L531-R533 PolarHBondContact O-N 3.32Å; R533-S537 PolarHBondContact O-N 3.02Å; R533-S537 VanDerWaalsContact O-N 3.15Å
534	V	89.1	Confident	88.9	Confident	13 Å²	13	55.8 Å²	55.8	8%	0.079	31%	0.314	C	S	.	.	H	α-helix	trans	-67	-48.3	175.5	178.9	0	0	0	0	110.8	L459 R462 H530 L531 N532 Q536 S537 F538	L459-V534 HydrophobicContact CD2-CG1 4.17Å; R462-V534 HydrophobicContact CB-CG1 3.87Å; R462-V534 HydrophobicContact CB-CG2 4.15Å; H530-V534 PolarHBondContact O-N 3.49Å; L531-V534 CarbonylContact O-C 3.58Å; L531-V534 WeakPolarHBondContact O-CA 3.35Å; L531-V534 WeakPolarHBondContact O-CB 3.49Å; L531-V534 PolarHBondContact O-N 3.11Å; N532-V534 VanDerWaalsContact C-N 3.33Å; V534-Q536 VanDerWaalsContact C-N 3.25Å; V534-Q536 PolarHBondContact O-N 2.93Å; V534-S537 PolarHBondContact O-N 2.86Å; V534-S537 VanDerWaalsContact O-N 3.1Å; V534-S537 PolarHBondContact O-OG 2.89Å; V534-F538 HydrophobicContact CG1-CD2 4.06Å; V534-F538 HydrophobicContact CG1-CE2 4Å; V534-F538 VanDerWaalsContact O-CD2 3.29Å; V534-F538 WeakPolarHBondContact O-CD2 3.38Å; V534-F538 PolarHBondContact O-N 3.38Å; V534-F538 VanDerWaalsContact O-N 3.17Å
535	L	87.9	Confident	88.4	Confident	1 Å²	1	54.5 Å²	54.5	1%	0.005	31%	0.308	C	S	.	.	H	α-helix	trans	-58.4	-41.3	178.6	-65.8	176.5	0	0	0	111.5	L459 L531 N532 S537 F538 G539 I540 V545	L459-L535 HydrophobicContact CB-CD2 4.27Å; L459-L535 HydrophobicContact CD1-CD2 3.79Å; L459-L535 HydrophobicContact CD2-CD2 4.34Å; L459-L535 HydrophobicContact CG-CD2 4.36Å; L531-L535 HydrophobicContact CD1-CD1 4.23Å; L531-L535 HydrophobicContact CD1-CD2 4.29Å; L531-L535 HydrophobicContact CD1-CG 3.99Å; L531-L535 HydrophobicContact CD2-CD1 4.34Å; L531-L535 HydrophobicContact CG-CD1 3.88Å; L531-L535 HydrophobicContact CG-CG 4.09Å; L531-L535 WeakPolarHBondContact O-CG 3.5Å; L531-L535 PolarHBondContact O-N 3.18Å; N532-L535 PolarHBondContact O-N 3.2Å; L535-S537 PolarHBondContact O-N 3.19Å; L535-F538 CarbonylContact O-C 3.58Å; L535-F538 PolarHBondContact O-N 3.15Å; L535-G539 PolarHBondContact O-N 3Å; L535-I540 HydrophobicContact CB-CB 4.34Å; L535-I540 HydrophobicContact CD2-CB 4.07Å; L535-I540 HydrophobicContact CD2-CD1 4.35Å; L535-I540 HydrophobicContact CD2-CG2 3.97Å; L535-I540 PolarHBondContact O-N 3.39Å; L535-V545 HydrophobicContact CD1-CG2 4Å; L535-V545 HydrophobicContact CD2-CG2 3.96Å
536	Q	86.4	Confident	88.1	Confident	156 Å²	156	53.1 Å²	53.1	73%	0.729	30%	0.3	S	S	*	.	H	α-helix	trans	-63	-40.1	176.8	-173.3	177.8	17.8	0	0	112.4	N532 V534 F538 G539	N532-Q536 VanDerWaalsContact O-CB 3.25Å; N532-Q536 WeakPolarHBondContact O-CB 3.44Å; N532-Q536 PolarHBondContact O-N 2.91Å; V534-Q536 VanDerWaalsContact C-N 3.25Å; V534-Q536 PolarHBondContact O-N 2.93Å; Q536-F538 PolarHBondContact O-N 3.29Å; Q536-G539 PolarHBondContact O-N 3.28Å; Q536-G539 VanDerWaalsContact O-N 3.12Å
537	S	81.2	Confident	87.9	Confident	79 Å²	79	53.4 Å²	53.4	55%	0.552	30%	0.302	S	S	*	.	H	α-helix	trans	-68.4	-25.5	178	68	0	0	0	0	113	R533 V534 L535	R533-S537 PolarHBondContact O-N 3.02Å; R533-S537 VanDerWaalsContact O-N 3.15Å; V534-S537 PolarHBondContact O-N 2.86Å; V534-S537 VanDerWaalsContact O-N 3.1Å; V534-S537 PolarHBondContact O-OG 2.89Å; L535-S537 PolarHBondContact O-N 3.19Å
538	F	78.1	Confident	87.7	Confident	11 Å²	11	58.1 Å²	58.1	5%	0.048	33%	0.327	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.5	-2.5	173	-77.8	-108.5	0	0	0	113.5	S436 Y458 L459 V534 L535 Q536 I540 F605	S436-F538 WeakPolarHBondContact OG-CE1 3.34Å; Y458-F538 HydrophobicContact CE1-CZ 4.19Å; L459-F538 HydrophobicContact CD2-CD1 4.41Å; L459-F538 HydrophobicContact CD2-CD2 4.41Å; L459-F538 HydrophobicContact CD2-CG 4.32Å; V534-F538 HydrophobicContact CG1-CD2 4.06Å; V534-F538 HydrophobicContact CG1-CE2 4Å; V534-F538 VanDerWaalsContact O-CD2 3.29Å; V534-F538 WeakPolarHBondContact O-CD2 3.38Å; V534-F538 PolarHBondContact O-N 3.38Å; V534-F538 VanDerWaalsContact O-N 3.17Å; L535-F538 CarbonylContact O-C 3.58Å; L535-F538 PolarHBondContact O-N 3.15Å; Q536-F538 PolarHBondContact O-N 3.29Å; F538-I540 VanDerWaalsContact C-N 3.28Å; F538-I540 HydrophobicContact CB-CD1 3.78Å; F538-I540 HydrophobicContact CB-CG1 3.94Å; F538-I540 PolarHBondContact O-N 3.09Å; F538-F605 HydrophobicContact CE1-CD1 4.45Å; F538-F605 HydrophobicContact CE1-CE1 4.1Å
539	G	78.7	Confident	87.5	Confident	72 Å²	72	57.1 Å²	57.1	74%	0.742	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.9	21.2	-176.4	0	0	0	0	0	114.5	L535 Q536	L535-G539 PolarHBondContact O-N 3Å; Q536-G539 PolarHBondContact O-N 3.28Å; Q536-G539 VanDerWaalsContact O-N 3.12Å
540	I	80.3	Confident	87.4	Confident	18 Å²	18	53 Å²	53	9%	0.092	30%	0.302	C	S	.	.			trans	-94	137.6	-178.8	-57.2	170.6	0	0	0	109.6	L443 L446 L459 L535 F538 R544	L443-I540 HydrophobicContact CB-CG1 4.44Å; L443-I540 HydrophobicContact CD1-CD1 4.35Å; L443-I540 HydrophobicContact CD1-CG1 4.27Å; L443-I540 HydrophobicContact CD2-CD1 4.13Å; L446-I540 HydrophobicContact CD1-CD1 3.93Å; L459-I540 HydrophobicContact CD1-CD1 3.69Å; L459-I540 HydrophobicContact CD2-CD1 4.21Å; L535-I540 HydrophobicContact CB-CB 4.34Å; L535-I540 HydrophobicContact CD2-CB 4.07Å; L535-I540 HydrophobicContact CD2-CD1 4.35Å; L535-I540 HydrophobicContact CD2-CG2 3.97Å; L535-I540 PolarHBondContact O-N 3.39Å; F538-I540 VanDerWaalsContact C-N 3.28Å; F538-I540 HydrophobicContact CB-CD1 3.78Å; F538-I540 HydrophobicContact CB-CG1 3.94Å; F538-I540 PolarHBondContact O-N 3.09Å; I540-R544 HydrophobicContact CG2-CB 4.05Å; I540-R544 HydrophobicContact CG2-CG 4.05Å
541	A	82.9	Confident	87.4	Confident	54 Å²	54	57.1 Å²	57.1	45%	0.446	32%	0.322	S	S	.	.			trans	-66.8	135.9	176.2	0	0	0	0	0	111.6	N543 R544	A541-N543 WeakPolarHBondContact CB-OD1 3.39Å; A541-N543 PolarHBondContact O-N 3.25Å; A541-N543 VanDerWaalsContact O-N 3.16Å; A541-R544 HydrophobicContact CB-CG 4.27Å; A541-R544 WeakPolarHBondContact O-CB 3.4Å; A541-R544 WeakPolarHBondContact O-CG 3.38Å; A541-R544 PolarHBondContact O-N 3.35Å; A541-R544 VanDerWaalsContact O-N 3.09Å
542	S	82.3	Confident	87.4	Confident	65 Å²	65	60.8 Å²	60.8	46%	0.455	34%	0.339	S	S	.	.	G	3₁₀ helix	trans	-59.5	-29.2	-174.6	51	0	0	0	0	114.6	N532 R544	N532-S542 VanDerWaalsContact OD1-CB 3.26Å; N532-S542 WeakPolarHBondContact OD1-CB 3.25Å; S542-R544 VanDerWaalsContact C-N 3.25Å; S542-R544 PolarHBondContact O-N 3.37Å
543	N	83.6	Confident	87.5	Confident	134 Å²	134	58.6 Å²	58.6	72%	0.717	33%	0.327	S	S	*	.	G	3₁₀ helix	trans	-78.6	-2.8	-179.8	67.7	-23.7	0	0	0	114.1	A541 V545	A541-N543 WeakPolarHBondContact CB-OD1 3.39Å; A541-N543 PolarHBondContact O-N 3.25Å; A541-N543 VanDerWaalsContact O-N 3.16Å; N543-V545 VanDerWaalsContact C-N 3.35Å
544	R	82.6	Confident	87.7	Confident	91 Å²	91	52.8 Å²	52.8	34%	0.343	31%	0.305	S	S	.	.	G	3₁₀ helix	trans	-71.3	-28.8	178.7	-74.2	-68	-160.2	148.7	9.6	113.4	T444 I540 A541 S542	T444-R544 PolarHBondContact O-NH2 3.03Å; I540-R544 HydrophobicContact CG2-CB 4.05Å; I540-R544 HydrophobicContact CG2-CG 4.05Å; A541-R544 HydrophobicContact CB-CG 4.27Å; A541-R544 WeakPolarHBondContact O-CB 3.4Å; A541-R544 WeakPolarHBondContact O-CG 3.38Å; A541-R544 PolarHBondContact O-N 3.35Å; A541-R544 VanDerWaalsContact O-N 3.09Å; S542-R544 VanDerWaalsContact C-N 3.25Å; S542-R544 PolarHBondContact O-N 3.37Å
545	V	87.4	Confident	88	Confident	3 Å²	3	56.9 Å²	56.9	2%	0.018	32%	0.323	C	S	.	.	S	Bend	trans	-99.6	111.2	178.8	-174	0	0	0	0	108.9	L456 V460 R528 L531 L535 N543 Y549 L550	L456-V545 HydrophobicContact CD2-CG2 4.17Å; V460-V545 HydrophobicContact CG2-CG1 3.73Å; R528-V545 PolarHBondContact NH1-O 3.26Å; R528-V545 PolarHBondContact NH2-O 3.43Å; L531-V545 HydrophobicContact CD2-CB 3.98Å; L531-V545 HydrophobicContact CD2-CG1 3.82Å; L531-V545 HydrophobicContact CD2-CG2 4.35Å; L535-V545 HydrophobicContact CD1-CG2 4Å; L535-V545 HydrophobicContact CD2-CG2 3.96Å; N543-V545 VanDerWaalsContact C-N 3.35Å; V545-Y549 HydrophobicContact CG1-CD2 4.16Å; V545-Y549 HydrophobicContact CG1-CG 4.26Å; V545-L550 HydrophobicContact CG1-CD1 4.04Å
546	S	89.4	Confident	88.3	Confident	49 Å²	49	57.5 Å²	57.5	34%	0.343	33%	0.326	S	S	.	.			trans	-56.2	154.3	177.1	-170.6	0	0	0	0	111.5	D548 Y549 L550	S546-D548 WeakPolarHBondContact CB-OD2 3.49Å; S546-D548 PolarHBondContact O-N 3.16Å; S546-D548 VanDerWaalsContact OG-CG 3.28Å; S546-D548 PolarHBondContact OG-N 3.42Å; S546-D548 PolarHBondContact OG-OD2 3.49Å; S546-Y549 PolarHBondContact O-N 2.95Å; S546-L550 VanDerWaalsContact O-CD1 3.3Å; S546-L550 WeakPolarHBondContact O-CD1 3.39Å
547	T	91.7	Very high	88.6	Confident	62 Å²	62	52.4 Å²	52.4	38%	0.38	30%	0.3	S	S	.	.	H	α-helix	trans	-63.6	-27.6	173.4	-51.5	0	0	0	0	112	R528 Y549 L550 E551	R528-T547 PolarHBondContact NH2-OG1 3.32Å; T547-Y549 VanDerWaalsContact C-N 3.25Å; T547-Y549 PolarHBondContact O-N 2.82Å; T547-L550 WeakPolarHBondContact O-CA 3.43Å; T547-L550 WeakPolarHBondContact O-CB 3.45Å; T547-L550 PolarHBondContact O-N 3.18Å; T547-E551 HydrophobicContact CG2-CG 4.21Å; T547-E551 PolarHBondContact O-N 2.97Å
548	D	92.3	Very high	89.1	Confident	100 Å²	100	48.9 Å²	48.9	54%	0.535	28%	0.276	S	S	.	.	H	α-helix	trans	-54.5	-40.2	178.5	-42.5	-40.6	0	0	0	112.2	S546 L550 E551 E552	S546-D548 WeakPolarHBondContact CB-OD2 3.49Å; S546-D548 PolarHBondContact O-N 3.16Å; S546-D548 VanDerWaalsContact OG-CG 3.28Å; S546-D548 PolarHBondContact OG-N 3.42Å; S546-D548 PolarHBondContact OG-OD2 3.49Å; D548-L550 VanDerWaalsContact C-N 3.29Å; D548-L550 PolarHBondContact O-N 3.28Å; D548-E551 PolarHBondContact O-N 2.69Å; D548-E552 VanDerWaalsContact O-CB 3.29Å; D548-E552 WeakPolarHBondContact O-CB 3.1Å; D548-E552 PolarHBondContact O-N 2.88Å
549	Y	93.1	Very high	89.8	Confident	26 Å²	26	51.7 Å²	51.7	10%	0.102	29%	0.292	C	S	.	.	H	α-helix	trans	-64.7	-32.4	177	-70.1	-88.7	0	0	0	113.1	D453 L456 W457 V545 S546 T547 M553	D453-Y549 HydrophobicContact CB-CE1 4.09Å; D453-Y549 VanDerWaalsContact CB-OH 3.27Å; D453-Y549 WeakPolarHBondContact CB-OH 3.41Å; L456-Y549 HydrophobicContact CB-CE1 4.19Å; L456-Y549 HydrophobicContact CD1-CE1 4.47Å; L456-Y549 HydrophobicContact CD1-CE2 4.07Å; W457-Y549 AromaticContact CD2-CD1 3.97Å; W457-Y549 HydrophobicContact CD2-CD1 3.97Å; W457-Y549 HydrophobicContact CD2-CE1 4.28Å; W457-Y549 AromaticContact CE2-CD1 3.62Å; W457-Y549 AromaticContact CE2-CE1 3.71Å; W457-Y549 HydrophobicContact CE3-CD1 4.26Å; W457-Y549 AromaticContact CH2-CD1 3.99Å; W457-Y549 HydrophobicContact CH2-CD1 3.99Å; W457-Y549 AromaticContact CZ2-CD1 3.65Å; W457-Y549 HydrophobicContact CZ2-CD1 3.65Å; W457-Y549 AromaticContact CZ2-CE1 3.99Å; W457-Y549 HydrophobicContact CZ2-CE1 3.99Å; W457-Y549 HydrophobicContact CZ3-CD1 4.27Å; W457-Y549 AromaticContact NE1-CE1 3.61Å; V545-Y549 HydrophobicContact CG1-CD2 4.16Å; V545-Y549 HydrophobicContact CG1-CG 4.26Å; S546-Y549 PolarHBondContact O-N 2.95Å; T547-Y549 VanDerWaalsContact C-N 3.25Å; T547-Y549 PolarHBondContact O-N 2.82Å; Y549-M553 VanDerWaalsContact O-CB 3.26Å; Y549-M553 WeakPolarHBondContact O-CB 3.16Å; Y549-M553 PolarHBondContact O-N 3.05Å
550	L	95	Very high	90.4	Very high	1 Å²	1	49.1 Å²	49.1	1%	0.005	26%	0.26	C	S	.	.	H	α-helix	trans	-78.8	-39.7	179.3	-72.1	72.7	0	0	0	110.2	L524 L527 R528 L531 V545 S546 T547 D548 E552 M553 C554	L524-L550 HydrophobicContact CD2-CB 3.74Å; L527-L550 HydrophobicContact CD2-CB 4.06Å; L527-L550 HydrophobicContact CD2-CG 4.22Å; L527-L550 HydrophobicContact CG-CD2 4.29Å; L527-L550 HydrophobicContact CG-CG 4.34Å; R528-L550 HydrophobicContact CB-CD2 3.69Å; R528-L550 HydrophobicContact CG-CD2 4.4Å; L531-L550 HydrophobicContact CD2-CD1 3.65Å; L531-L550 HydrophobicContact CD2-CD2 4.25Å; L531-L550 HydrophobicContact CD2-CG 4.17Å; V545-L550 HydrophobicContact CG1-CD1 4.04Å; S546-L550 VanDerWaalsContact O-CD1 3.3Å; S546-L550 WeakPolarHBondContact O-CD1 3.39Å; T547-L550 WeakPolarHBondContact O-CA 3.43Å; T547-L550 WeakPolarHBondContact O-CB 3.45Å; T547-L550 PolarHBondContact O-N 3.18Å; D548-L550 VanDerWaalsContact C-N 3.29Å; D548-L550 PolarHBondContact O-N 3.28Å; L550-E552 VanDerWaalsContact C-N 3.34Å; L550-M553 PolarHBondContact O-N 3.35Å; L550-C554 WeakPolarHBondContact O-CB 3.28Å; L550-C554 PolarHBondContact O-N 3.33Å; L550-C554 PolarHBondContact O-SG 2.86Å; L550-C554 VanDerWaalsContact O-SG 3.39Å
551	E	94.9	Very high	91.1	Very high	92 Å²	92	52.1 Å²	52.1	43%	0.43	28%	0.276	S	S	.	.	H	α-helix	trans	-58.4	-49.4	172.9	-72.6	175.1	-167.7	0	0	110.3	L524 T547 D548 M553 C554 Q555	L524-E551 HydrophobicContact CD1-CG 3.82Å; L524-E551 HydrophobicContact CD2-CB 4.46Å; L524-E551 HydrophobicContact CD2-CG 3.81Å; L524-E551 HydrophobicContact CG-CG 4.46Å; T547-E551 HydrophobicContact CG2-CG 4.21Å; T547-E551 PolarHBondContact O-N 2.97Å; D548-E551 PolarHBondContact O-N 2.69Å; E551-M553 PolarHBondContact O-N 2.64Å; E551-C554 PolarHBondContact O-N 3.07Å; E551-Q555 WeakPolarHBondContact O-CB 3.38Å; E551-Q555 PolarHBondContact O-N 2.94Å
552	E	94.2	Very high	91.7	Very high	79 Å²	79	53 Å²	53	37%	0.369	27%	0.271	S	S	.	.	H	α-helix	trans	-63	-43.1	177.7	-164.2	64.9	-142.7	0	0	111.7	W457 D548 L550 C554 Q555 F556	W457-E552 HydrophobicContact CH2-CB 3.98Å; W457-E552 HydrophobicContact CH2-CG 3.86Å; D548-E552 VanDerWaalsContact O-CB 3.29Å; D548-E552 WeakPolarHBondContact O-CB 3.1Å; D548-E552 PolarHBondContact O-N 2.88Å; L550-E552 VanDerWaalsContact C-N 3.34Å; E552-C554 PolarHBondContact O-N 3.32Å; E552-Q555 CarbonylContact O-C 3.52Å; E552-Q555 WeakPolarHBondContact O-CA 3.45Å; E552-Q555 WeakPolarHBondContact O-CB 3.47Å; E552-Q555 PolarHBondContact O-N 2.95Å; E552-Q555 VanDerWaalsContact O-N 3.08Å; E552-F556 HydrophobicContact CG-CE1 3.67Å; E552-F556 HydrophobicContact CG-CE2 4.42Å; E552-F556 HydrophobicContact CG-CZ 3.55Å; E552-F556 VanDerWaalsContact O-CD1 3.31Å; E552-F556 WeakPolarHBondContact O-CD1 3.26Å; E552-F556 WeakPolarHBondContact O-CG 3.36Å; E552-F556 PolarHBondContact O-N 2.68Å; E552-F556 VanDerWaalsContact OE1-CE1 3.3Å; E552-F556 WeakPolarHBondContact OE1-CE1 3.42Å
553	M	95.8	Very high	92.3	Very high	2 Å²	2	54.1 Å²	54.1	1%	0.01	28%	0.279	C	S	.	.	H	α-helix	trans	-61.6	-40.9	175.2	-178.6	57.4	68.5	0	0	112.7	I154 W457 V460 L461 A464 L527 Y549 L550 E551 Q555 F556	I154-M553 HydrophobicContact CG2-SD 3.98Å; W457-M553 HydrophobicContact CE3-CE 4.31Å; W457-M553 HydrophobicContact CZ3-CE 4.19Å; V460-M553 HydrophobicContact CG1-CB 3.8Å; V460-M553 HydrophobicContact CG1-CE 3.72Å; V460-M553 HydrophobicContact CG1-CG 3.94Å; L461-M553 HydrophobicContact CD2-CE 3.56Å; L461-M553 HydrophobicContact CG-CE 4.16Å; A464-M553 HydrophobicContact CB-CG 3.93Å; A464-M553 HydrophobicContact CB-SD 4Å; L527-M553 HydrophobicContact CD2-CB 4.29Å; L527-M553 HydrophobicContact CD2-CG 4.18Å; Y549-M553 VanDerWaalsContact O-CB 3.26Å; Y549-M553 WeakPolarHBondContact O-CB 3.16Å; Y549-M553 PolarHBondContact O-N 3.05Å; L550-M553 PolarHBondContact O-N 3.35Å; E551-M553 PolarHBondContact O-N 2.64Å; M553-Q555 VanDerWaalsContact C-N 3.32Å; M553-F556 HydrophobicContact CE-CD2 4.36Å; M553-F556 HydrophobicContact CE-CE2 4.48Å; M553-F556 PolarHBondContact O-N 3.03Å; M553-F556 HydrophobicContact SD-CD2 4.02Å
554	C	96	Very high	92.9	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-65.8	-37.2	172.6	-74.8	0	0	0	0	111.4	I520 L550 E551 E552 F556 R557	I520-C554 HydrophobicContact CB-CB 4.46Å; I520-C554 HydrophobicContact CG1-CB 4.24Å; I520-C554 HydrophobicContact CG2-CB 3.86Å; L550-C554 WeakPolarHBondContact O-CB 3.28Å; L550-C554 PolarHBondContact O-N 3.33Å; L550-C554 PolarHBondContact O-SG 2.86Å; L550-C554 VanDerWaalsContact O-SG 3.39Å; E551-C554 PolarHBondContact O-N 3.07Å; E552-C554 PolarHBondContact O-N 3.32Å; C554-F556 PolarHBondContact O-N 2.76Å; C554-R557 VanDerWaalsContact O-CG 3.26Å; C554-R557 WeakPolarHBondContact O-CG 3.48Å; C554-R557 PolarHBondContact O-N 3.25Å
555	Q	94.7	Very high	93.6	Very high	100 Å²	100	43.6 Å²	43.6	47%	0.467	23%	0.229	S	C	.	.	H	α-helix	trans	-65.6	-27.4	177.9	-170.5	63.7	9.9	0	0	112.4	E551 E552 M553 R557	E551-Q555 WeakPolarHBondContact O-CB 3.38Å; E551-Q555 PolarHBondContact O-N 2.94Å; E552-Q555 CarbonylContact O-C 3.52Å; E552-Q555 WeakPolarHBondContact O-CA 3.45Å; E552-Q555 WeakPolarHBondContact O-CB 3.47Å; E552-Q555 PolarHBondContact O-N 2.95Å; E552-Q555 VanDerWaalsContact O-N 3.08Å; M553-Q555 VanDerWaalsContact C-N 3.32Å; Q555-R557 VanDerWaalsContact C-N 3.26Å; Q555-R557 PolarHBondContact O-N 3.5Å
556	F	94.7	Very high	94.1	Very high	14 Å²	14	44.9 Å²	44.9	6%	0.061	24%	0.24	C	C	.	.	H	α-helix	trans	-66.3	-27.3	172.2	-60.1	-21.9	0	0	0	113.2	I154 V156 I157 W457 E552 M553 C554 G558 N559	I154-F556 HydrophobicContact CG2-CB 3.82Å; I154-F556 HydrophobicContact CG2-CD2 4.03Å; I154-F556 HydrophobicContact CG2-CG 4.39Å; V156-F556 HydrophobicContact CG2-CE1 3.47Å; V156-F556 VanDerWaalsContact CG2-CE1 3.47Å; V156-F556 HydrophobicContact CG2-CE2 4.24Å; V156-F556 HydrophobicContact CG2-CZ 3.26Å; I157-F556 HydrophobicContact CG1-CE2 3.83Å; I157-F556 HydrophobicContact CG1-CZ 4.27Å; W457-F556 HydrophobicContact CH2-CE2 4.13Å; W457-F556 HydrophobicContact CH2-CZ 4.12Å; W457-F556 AromaticContact CZ3-CE2 3.93Å; W457-F556 HydrophobicContact CZ3-CE2 3.93Å; W457-F556 HydrophobicContact CZ3-CZ 4.39Å; E552-F556 HydrophobicContact CG-CE1 3.67Å; E552-F556 HydrophobicContact CG-CE2 4.42Å; E552-F556 HydrophobicContact CG-CZ 3.55Å; E552-F556 VanDerWaalsContact O-CD1 3.31Å; E552-F556 WeakPolarHBondContact O-CD1 3.26Å; E552-F556 WeakPolarHBondContact O-CG 3.36Å; E552-F556 PolarHBondContact O-N 2.68Å; E552-F556 VanDerWaalsContact OE1-CE1 3.3Å; E552-F556 WeakPolarHBondContact OE1-CE1 3.42Å; M553-F556 HydrophobicContact CE-CD2 4.36Å; M553-F556 HydrophobicContact CE-CE2 4.48Å; M553-F556 PolarHBondContact O-N 3.03Å; M553-F556 HydrophobicContact SD-CD2 4.02Å; C554-F556 PolarHBondContact O-N 2.76Å; F556-G558 PolarHBondContact O-N 3.29Å; F556-N559 VanDerWaalsContact O-CB 3.3Å; F556-N559 WeakPolarHBondContact O-CB 3.47Å; F556-N559 PolarHBondContact O-N 3.33Å
557	R	92.7	Very high	94.5	Very high	48 Å²	48	46.4 Å²	46.4	18%	0.181	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.7	26.5	177.9	-52	178.3	-173.9	-98.7	10	114	G476 S477 S516 I520 C554 Q555 N559	G476-R557 WeakPolarHBondContact O-CG 3.24Å; G476-R557 PolarHBondContact O-NH1 2.64Å; S477-R557 WeakPolarHBondContact CB-O 3.5Å; S516-R557 VanDerWaalsContact CB-NH2 3.29Å; S516-R557 PolarHBondContact O-NH1 2.84Å; S516-R557 VanDerWaalsContact O-NH1 3.09Å; S516-R557 PolarHBondContact OG-NH2 3.34Å; I520-R557 VanDerWaalsContact CD1-NH2 3.34Å; C554-R557 VanDerWaalsContact O-CG 3.26Å; C554-R557 WeakPolarHBondContact O-CG 3.48Å; C554-R557 PolarHBondContact O-N 3.25Å; Q555-R557 VanDerWaalsContact C-N 3.26Å; Q555-R557 PolarHBondContact O-N 3.5Å; R557-N559 PolarHBondContact O-N 3.22Å
558	G	91	Very high	94.8	Very high	5 Å²	5	43.5 Å²	43.5	5%	0.052	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	66.6	18.6	-174.7	0	0	0	0	0	114.8	K66 W474 F556	K66-G558 PolarHBondContact NZ-O 3.32Å; W474-G558 VanDerWaalsContact CD1-CA 3.43Å; W474-G558 VanDerWaalsContact CG-CA 3.47Å; F556-G558 PolarHBondContact O-N 3.29Å
559	N	91.7	Very high	95.1	Very high	71 Å²	71	38.7 Å²	38.7	38%	0.38	20%	0.197	S	C	.	.	P	Polyproline II helix	trans	-79.8	149.1	179.7	-70.8	-24.7	0	0	0	111.8	K66 G155 F556 R557	K66-N559 WeakPolarHBondContact CE-OD1 3.2Å; K66-N559 PolarHBondContact NZ-OD1 3.15Å; G155-N559 PolarHBondContact N-O 3.09Å; F556-N559 VanDerWaalsContact O-CB 3.3Å; F556-N559 WeakPolarHBondContact O-CB 3.47Å; F556-N559 PolarHBondContact O-N 3.33Å; R557-N559 PolarHBondContact O-N 3.22Å
560	E	92.6	Very high	95.4	Very high	17 Å²	17	38.9 Å²	38.9	8%	0.079	21%	0.207	C	C	.	.	B	Isolated β-bridge	trans	-102.1	118.6	171.9	-71.9	-164.5	140.3	0	0	109.3	E37 G38 L39 S70 V565	E37-E560 WeakPolarHBondContact CB-OE2 3.37Å; G38-E560 WeakPolarHBondContact CA-OE2 3.46Å; G38-E560 PolarHBondContact N-OE2 2.89Å; L39-E560 WeakPolarHBondContact CB-OE1 3.45Å; L39-E560 PolarHBondContact N-OE2 3.5Å; S70-E560 VanDerWaalsContact CB-O 3.27Å; S70-E560 WeakPolarHBondContact CB-O 3.32Å; E560-V565 HydrophobicContact CB-CG1 3.74Å; E560-V565 HydrophobicContact CG-CG1 4.02Å
561	L	94.2	Very high	95.5	Very high	81 Å²	81	40.4 Å²	40.4	42%	0.424	22%	0.216	S	C	.	.	P	Polyproline II helix	trans	-81.4	124.7	171.6	-72.8	170.5	0	0	0	109.5	V156 S563 V564 V565	V156-L561 HydrophobicContact CG1-CD1 3.58Å; L561-S563 VanDerWaalsContact C-N 3.25Å; L561-S563 PolarHBondContact O-N 3.44Å; L561-S563 VanDerWaalsContact O-N 3.15Å; L561-V564 HydrophobicContact CB-CB 4.3Å; L561-V564 HydrophobicContact CB-CG2 4.02Å; L561-V564 PolarHBondContact O-N 3.01Å; L561-V565 PolarHBondContact O-N 3.39Å
562	H	95.4	Very high	95.7	Very high	73 Å²	73	36 Å²	36	34%	0.338	20%	0.196	S	C	.	.	H	α-helix	trans	-52.2	-42	-175.2	-173.3	63	0	0	0	113.3	E42 S70 V564 V565 A566	E42-H562 IonicContact OE1-CE1 2.91Å; S70-H562 PolarHBondContact O-ND1 3.12Å; H562-V564 VanDerWaalsContact C-N 3.32Å; H562-V564 PolarHBondContact O-N 3.19Å; H562-V565 WeakPolarHBondContact O-CG2 3.39Å; H562-V565 PolarHBondContact O-N 3.36Å; H562-A566 VanDerWaalsContact O-CB 3.23Å; H562-A566 WeakPolarHBondContact O-CB 3.39Å; H562-A566 PolarHBondContact O-N 2.8Å
563	S	95.7	Very high	95.9	Very high	88 Å²	88	32.3 Å²	32.3	62%	0.615	18%	0.179	S	C	*	.	H	α-helix	trans	-63	-36.1	179	52.5	0	0	0	0	113.4	L561 F567	L561-S563 VanDerWaalsContact C-N 3.25Å; L561-S563 PolarHBondContact O-N 3.44Å; L561-S563 VanDerWaalsContact O-N 3.15Å; S563-F567 WeakPolarHBondContact O-CB 3.43Å; S563-F567 PolarHBondContact O-N 2.97Å; S563-F567 VanDerWaalsContact O-N 3.16Å
564	V	96.8	Very high	96	Very high	4 Å²	4	35.6 Å²	35.6	2%	0.024	19%	0.194	C	C	.	.	H	α-helix	trans	-76.2	-43.3	180	179.3	0	0	0	0	110	S153 L561 H562 F567 M568 Y593 A595	S153-V564 WeakPolarHBondContact OG-CG1 3.29Å; L561-V564 HydrophobicContact CB-CB 4.3Å; L561-V564 HydrophobicContact CB-CG2 4.02Å; L561-V564 PolarHBondContact O-N 3.01Å; H562-V564 VanDerWaalsContact C-N 3.32Å; H562-V564 PolarHBondContact O-N 3.19Å; V564-F567 PolarHBondContact O-N 3.47Å; V564-M568 WeakPolarHBondContact O-CB 3.32Å; V564-M568 WeakPolarHBondContact O-CG 3.45Å; V564-M568 PolarHBondContact O-N 3.28Å; V564-Y593 HydrophobicContact CG1-CD1 4.03Å; V564-Y593 HydrophobicContact CG1-CE1 3.96Å; V564-A595 HydrophobicContact CG2-CB 3.93Å
565	V	96.8	Very high	96.1	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-68.2	-33.7	176.2	-61.7	0	0	0	0	112.8	L39 E560 L561 H562 G569	L39-V565 HydrophobicContact CB-CB 4.03Å; L39-V565 HydrophobicContact CB-CG1 3.89Å; L39-V565 HydrophobicContact CD1-CB 4.37Å; E560-V565 HydrophobicContact CB-CG1 3.74Å; E560-V565 HydrophobicContact CG-CG1 4.02Å; L561-V565 PolarHBondContact O-N 3.39Å; H562-V565 WeakPolarHBondContact O-CG2 3.39Å; H562-V565 PolarHBondContact O-N 3.36Å; V565-G569 WeakPolarHBondContact O-CA 3.15Å; V565-G569 PolarHBondContact O-N 3.29Å
566	A	97.6	Very high	96.3	Very high	30 Å²	30	31.5 Å²	31.5	25%	0.248	18%	0.175	C	C	.	.	H	α-helix	trans	-66.3	-43.5	173.8	0	0	0	0	0	111.5	E42 H562 G569 G570	E42-A566 HydrophobicContact CG-CB 4.3Å; H562-A566 VanDerWaalsContact O-CB 3.23Å; H562-A566 WeakPolarHBondContact O-CB 3.39Å; H562-A566 PolarHBondContact O-N 2.8Å; A566-G569 PolarHBondContact O-N 3.5Å; A566-G570 PolarHBondContact O-N 2.93Å; A566-G570 VanDerWaalsContact O-N 3.07Å
567	F	97.9	Very high	96.5	Very high	82 Å²	82	31 Å²	31	36%	0.36	17%	0.173	S	C	.	.	H	α-helix	trans	-61.5	-52.4	174.7	178	-94.3	0	0	0	111.6	S563 V564 G569 G570 V571 Y593 I600	S563-F567 WeakPolarHBondContact O-CB 3.43Å; S563-F567 PolarHBondContact O-N 2.97Å; S563-F567 VanDerWaalsContact O-N 3.16Å; V564-F567 PolarHBondContact O-N 3.47Å; F567-G569 VanDerWaalsContact C-N 3.28Å; F567-G569 PolarHBondContact O-N 3.1Å; F567-G570 PolarHBondContact O-N 2.93Å; F567-V571 HydrophobicContact CD1-CG2 4.39Å; F567-V571 HydrophobicContact CE1-CG2 4.02Å; F567-V571 HydrophobicContact CZ-CG2 4.22Å; F567-V571 WeakPolarHBondContact O-CG2 3.5Å; F567-V571 PolarHBondContact O-N 3.31Å; F567-V571 VanDerWaalsContact O-N 3.1Å; F567-Y593 HydrophobicContact CB-CE1 4.44Å; F567-Y593 AromaticContact CD1-CD1 3.61Å; F567-Y593 HydrophobicContact CD1-CD1 3.61Å; F567-Y593 HydrophobicContact CD1-CD2 4.07Å; F567-Y593 AromaticContact CD1-CE1 3.48Å; F567-Y593 HydrophobicContact CD1-CE1 3.48Å; F567-Y593 VanDerWaalsContact CD1-CE1 3.48Å; F567-Y593 AromaticContact CD1-CE2 3.98Å; F567-Y593 HydrophobicContact CD1-CE2 3.98Å; F567-Y593 AromaticContact CD1-CG 3.9Å; F567-Y593 HydrophobicContact CD1-CG 3.9Å; F567-Y593 AromaticContact CD1-CZ 3.68Å; F567-Y593 AromaticContact CE1-CD1 3.89Å; F567-Y593 HydrophobicContact CE1-CD1 3.89Å; F567-Y593 AromaticContact CE1-CD2 3.5Å; F567-Y593 HydrophobicContact CE1-CD2 3.5Å; F567-Y593 AromaticContact CE1-CE1 3.94Å; F567-Y593 HydrophobicContact CE1-CE1 3.94Å; F567-Y593 AromaticContact CE1-CE2 3.58Å; F567-Y593 HydrophobicContact CE1-CE2 3.58Å; F567-Y593 AromaticContact CE1-CG 3.67Å; F567-Y593 HydrophobicContact CE1-CG 3.67Å; F567-Y593 AromaticContact CE1-CZ 3.8Å; F567-Y593 HydrophobicContact CG-CE1 4.12Å; F567-Y593 HydrophobicContact CZ-CD2 4.22Å; F567-Y593 HydrophobicContact CZ-CE2 4.03Å; F567-I600 HydrophobicContact CE1-CD1 3.67Å; F567-I600 HydrophobicContact CE1-CG1 4.11Å; F567-I600 HydrophobicContact CZ-CD1 3.51Å; F567-I600 HydrophobicContact CZ-CG1 4.2Å
568	M	98.1	Very high	96.7	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-61.9	-37.9	177.6	-74.2	-60.6	-62.7	0	0	111.7	L39 L160 V564 G570 V571 V572 L591 Y593	L39-M568 HydrophobicContact CD1-CB 3.6Å; L160-M568 HydrophobicContact CB-CE 4.01Å; V564-M568 WeakPolarHBondContact O-CB 3.32Å; V564-M568 WeakPolarHBondContact O-CG 3.45Å; V564-M568 PolarHBondContact O-N 3.28Å; M568-G570 VanDerWaalsContact C-N 3.33Å; M568-G570 PolarHBondContact O-N 3.02Å; M568-V571 PolarHBondContact O-N 3.02Å; M568-V572 HydrophobicContact CE-CG2 4.31Å; M568-V572 WeakPolarHBondContact O-CB 3.5Å; M568-V572 WeakPolarHBondContact O-CG2 3.45Å; M568-V572 PolarHBondContact O-N 3.29Å; M568-L591 HydrophobicContact CE-CD2 4.47Å; M568-Y593 HydrophobicContact CG-CD1 4.14Å; M568-Y593 VanDerWaalsContact SD-CB 3.56Å; M568-Y593 HydrophobicContact SD-CD1 4.04Å; M568-Y593 HydrophobicContact SD-CG 4.13Å
569	G	98.3	Very high	96.9	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-60.5	-41.6	177.1	0	0	0	0	0	112.5	V565 A566 F567 A573	V565-G569 WeakPolarHBondContact O-CA 3.15Å; V565-G569 PolarHBondContact O-N 3.29Å; A566-G569 PolarHBondContact O-N 3.5Å; F567-G569 VanDerWaalsContact C-N 3.28Å; F567-G569 PolarHBondContact O-N 3.1Å; G569-A573 WeakPolarHBondContact O-CB 3.32Å; G569-A573 PolarHBondContact O-N 3.02Å
570	G	98.5	Very high	97.1	Very high	30 Å²	30	27.8 Å²	27.8	31%	0.309	16%	0.156	S	C	.	.	H	α-helix	trans	-64.4	-46	172.9	0	0	0	0	0	113.1	A566 F567 M568 Q574	A566-G570 PolarHBondContact O-N 2.93Å; A566-G570 VanDerWaalsContact O-N 3.07Å; F567-G570 PolarHBondContact O-N 2.93Å; M568-G570 VanDerWaalsContact C-N 3.33Å; M568-G570 PolarHBondContact O-N 3.02Å; G570-Q574 WeakPolarHBondContact O-CB 3.46Å; G570-Q574 PolarHBondContact O-N 3.47Å; G570-Q574 VanDerWaalsContact O-N 3.08Å
571	V	98.3	Very high	97.3	Very high	32 Å²	32	27.4 Å²	27.4	19%	0.194	16%	0.155	C	C	.	.	H	α-helix	trans	-60.7	-54.2	178.1	173.2	0	0	0	0	110.6	L160 F567 M568 A573 Q574 E575 I600	L160-V571 HydrophobicContact CD2-CG1 4.11Å; F567-V571 HydrophobicContact CD1-CG2 4.39Å; F567-V571 HydrophobicContact CE1-CG2 4.02Å; F567-V571 HydrophobicContact CZ-CG2 4.22Å; F567-V571 WeakPolarHBondContact O-CG2 3.5Å; F567-V571 PolarHBondContact O-N 3.31Å; F567-V571 VanDerWaalsContact O-N 3.1Å; M568-V571 PolarHBondContact O-N 3.02Å; V571-A573 PolarHBondContact O-N 2.84Å; V571-Q574 PolarHBondContact O-N 3.45Å; V571-E575 WeakPolarHBondContact O-CG 3.5Å; V571-E575 PolarHBondContact O-N 3.36Å; V571-I600 HydrophobicContact CG2-CD1 4.48Å
572	V	98.6	Very high	97.3	Very high	0 Å²	0	26 Å²	26	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-63	-44.4	-176.7	176.9	0	0	0	0	110.8	I43 V149 C151 L160 M568 Q574 E575 V576	I43-V572 HydrophobicContact CD1-CB 4.03Å; I43-V572 HydrophobicContact CD1-CG1 3.7Å; I43-V572 HydrophobicContact CD1-CG2 4.39Å; I43-V572 HydrophobicContact CG1-CB 3.97Å; I43-V572 HydrophobicContact CG1-CG1 3.99Å; I43-V572 HydrophobicContact CG2-CG1 4.23Å; V149-V572 HydrophobicContact CG1-CG1 3.9Å; C151-V572 HydrophobicContact CB-CG2 3.88Å; L160-V572 HydrophobicContact CB-CG2 4.44Å; L160-V572 HydrophobicContact CD1-CG1 4.45Å; L160-V572 HydrophobicContact CD1-CG2 4.14Å; L160-V572 HydrophobicContact CD2-CG2 4.19Å; L160-V572 HydrophobicContact CG-CG2 4.48Å; M568-V572 HydrophobicContact CE-CG2 4.31Å; M568-V572 WeakPolarHBondContact O-CB 3.5Å; M568-V572 WeakPolarHBondContact O-CG2 3.45Å; M568-V572 PolarHBondContact O-N 3.29Å; V572-Q574 VanDerWaalsContact C-N 3.32Å; V572-Q574 PolarHBondContact O-N 3.31Å; V572-E575 PolarHBondContact O-N 3.48Å; V572-V576 HydrophobicContact CG1-CG2 4.42Å; V572-V576 WeakPolarHBondContact O-CG2 3.28Å; V572-V576 PolarHBondContact O-N 2.86Å
573	A	98.7	Very high	97.3	Very high	1 Å²	1	22.6 Å²	22.6	1%	0.008	13%	0.131	C	C	.	.	H	α-helix	trans	-61.2	-41.2	178.2	0	0	0	0	0	111.8	I43 N46 L47 G569 V571 E575 V576 I577	I43-A573 HydrophobicContact CG2-CB 4.43Å; N46-A573 HydrophobicContact CB-CB 3.33Å; L47-A573 HydrophobicContact CD2-CB 4.14Å; L47-A573 HydrophobicContact CG-CB 4.18Å; G569-A573 WeakPolarHBondContact O-CB 3.32Å; G569-A573 PolarHBondContact O-N 3.02Å; V571-A573 PolarHBondContact O-N 2.84Å; A573-E575 VanDerWaalsContact C-N 3.34Å; A573-E575 PolarHBondContact O-N 3.08Å; A573-V576 WeakPolarHBondContact O-CB 3.23Å; A573-V576 PolarHBondContact O-N 3.45Å; A573-I577 WeakPolarHBondContact O-CG1 3.45Å; A573-I577 PolarHBondContact O-N 3.31Å
574	Q	98.3	Very high	97.3	Very high	72 Å²	72	20.8 Å²	20.8	34%	0.336	11%	0.112	S	C	.	.	H	α-helix	trans	-63.9	-41.2	176.2	-173.6	59	32.1	0	0	111.6	G570 V571 V572 V576 I577 K578	G570-Q574 WeakPolarHBondContact O-CB 3.46Å; G570-Q574 PolarHBondContact O-N 3.47Å; G570-Q574 VanDerWaalsContact O-N 3.08Å; V571-Q574 PolarHBondContact O-N 3.45Å; V572-Q574 VanDerWaalsContact C-N 3.32Å; V572-Q574 PolarHBondContact O-N 3.31Å; Q574-V576 VanDerWaalsContact C-N 3.31Å; Q574-V576 PolarHBondContact O-N 3.24Å; Q574-I577 PolarHBondContact O-N 2.8Å; Q574-K578 WeakPolarHBondContact O-CG 3.45Å; Q574-K578 PolarHBondContact O-N 3.26Å
575	E	98.1	Very high	97.3	Very high	13 Å²	13	23.4 Å²	23.4	6%	0.061	13%	0.128	C	C	.	.	H	α-helix	trans	-61.8	-39.2	174.4	-64.6	-53.5	127.2	0	0	112.5	L160 I162 V571 V572 A573 K578 L579 P586 V587	L160-E575 HydrophobicContact CD2-CG 4.04Å; I162-E575 HydrophobicContact CD1-CB 3.78Å; I162-E575 HydrophobicContact CD1-CG 4.21Å; V571-E575 WeakPolarHBondContact O-CG 3.5Å; V571-E575 PolarHBondContact O-N 3.36Å; V572-E575 PolarHBondContact O-N 3.48Å; A573-E575 VanDerWaalsContact C-N 3.34Å; A573-E575 PolarHBondContact O-N 3.08Å; E575-K578 WeakPolarHBondContact O-CB 3.41Å; E575-K578 PolarHBondContact O-N 3.27Å; E575-K578 WeakPolarHBondContact OE1-CE 3.44Å; E575-K578 IonicContact OE1-NZ 2.74Å; E575-K578 PolarHBondContact OE1-NZ 3.28Å; E575-K578 IonicContact OE2-NZ 3.57Å; E575-L579 VanDerWaalsContact O-CG 3.3Å; E575-L579 WeakPolarHBondContact O-CG 3.48Å; E575-L579 PolarHBondContact O-N 2.85Å; E575-P586 WeakPolarHBondContact OE2-CA 3.49Å; E575-V587 HydrophobicContact CG-CG2 4.04Å; E575-V587 PolarHBondContact OE2-N 2.81Å
576	V	98.3	Very high	97.2	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-61.8	-42.6	173.4	170.2	0	0	0	0	111	L47 I123 I125 V149 V572 A573 Q574 K578 L579 I580	L47-V576 HydrophobicContact CD1-CB 4.46Å; L47-V576 HydrophobicContact CD1-CG1 3.83Å; L47-V576 HydrophobicContact CD2-CB 4.07Å; L47-V576 HydrophobicContact CD2-CG1 3.71Å; L47-V576 HydrophobicContact CG-CG1 4.44Å; I123-V576 HydrophobicContact CD1-CG1 3.82Å; I123-V576 HydrophobicContact CG2-CG1 4.39Å; I123-V576 HydrophobicContact CG2-CG2 4.46Å; I125-V576 HydrophobicContact CD1-CG1 4.32Å; I125-V576 HydrophobicContact CD1-CG2 3.77Å; I125-V576 HydrophobicContact CG1-CG2 4.2Å; V149-V576 HydrophobicContact CG1-CG2 4.46Å; V149-V576 HydrophobicContact CG2-CG2 4.19Å; V572-V576 HydrophobicContact CG1-CG2 4.42Å; V572-V576 WeakPolarHBondContact O-CG2 3.28Å; V572-V576 PolarHBondContact O-N 2.86Å; A573-V576 WeakPolarHBondContact O-CB 3.23Å; A573-V576 PolarHBondContact O-N 3.45Å; Q574-V576 VanDerWaalsContact C-N 3.31Å; Q574-V576 PolarHBondContact O-N 3.24Å; V576-K578 VanDerWaalsContact C-N 3.34Å; V576-K578 PolarHBondContact O-N 3.3Å; V576-L579 WeakPolarHBondContact O-CB 3.37Å; V576-L579 PolarHBondContact O-N 3.21Å; V576-I580 HydrophobicContact CG1-CD1 3.79Å; V576-I580 HydrophobicContact CG1-CG1 4.4Å; V576-I580 VanDerWaalsContact O-CG1 3.32Å; V576-I580 WeakPolarHBondContact O-CG1 3.37Å; V576-I580 PolarHBondContact O-N 3.35Å
577	I	98.1	Very high	97.1	Very high	5 Å²	5	23.3 Å²	23.3	3%	0.026	12%	0.124	C	C	.	.	H	α-helix	trans	-62.6	-40.3	176.2	-66.5	170.5	0	0	0	111.4	W18 L26 L47 P50 A573 Q574 L579 I580 T581	W18-I577 HydrophobicContact CD2-CG2 4.49Å; W18-I577 HydrophobicContact CE3-CG2 3.84Å; W18-I577 HydrophobicContact CH2-CD1 3.85Å; W18-I577 HydrophobicContact CH2-CG2 3.96Å; W18-I577 HydrophobicContact CZ3-CD1 4.19Å; W18-I577 HydrophobicContact CZ3-CG2 3.58Å; L26-I577 HydrophobicContact CD1-CG1 4.36Å; L47-I577 HydrophobicContact CD2-CD1 4.38Å; L47-I577 HydrophobicContact CD2-CG1 3.82Å; P50-I577 HydrophobicContact CG-CD1 4.09Å; A573-I577 WeakPolarHBondContact O-CG1 3.45Å; A573-I577 PolarHBondContact O-N 3.31Å; Q574-I577 PolarHBondContact O-N 2.8Å; I577-L579 VanDerWaalsContact C-N 3.31Å; I577-L579 PolarHBondContact O-N 3.42Å; I577-I580 PolarHBondContact O-N 3.42Å; I577-T581 HydrophobicContact CG2-CG2 4.04Å; I577-T581 WeakPolarHBondContact O-CB 3.36Å; I577-T581 WeakPolarHBondContact O-CG2 3.47Å; I577-T581 PolarHBondContact O-N 3.2Å; I577-T581 PolarHBondContact O-OG1 2.9Å
578	K	97.3	Very high	96.7	Very high	33 Å²	33	21.8 Å²	21.8	14%	0.143	12%	0.124	C	C	.	.	H	α-helix	trans	-59.4	-44.6	174.4	-62.4	177.6	-174	171.5	0	111.3	Q574 E575 V576 I580 T581 H582 Q583 F584 V585 P586	Q574-K578 WeakPolarHBondContact O-CG 3.45Å; Q574-K578 PolarHBondContact O-N 3.26Å; E575-K578 WeakPolarHBondContact O-CB 3.41Å; E575-K578 PolarHBondContact O-N 3.27Å; E575-K578 WeakPolarHBondContact OE1-CE 3.44Å; E575-K578 IonicContact OE1-NZ 2.74Å; E575-K578 PolarHBondContact OE1-NZ 3.28Å; E575-K578 IonicContact OE2-NZ 3.57Å; V576-K578 VanDerWaalsContact C-N 3.34Å; V576-K578 PolarHBondContact O-N 3.3Å; K578-I580 PolarHBondContact O-N 2.64Å; K578-T581 PolarHBondContact O-N 2.87Å; K578-H582 WeakPolarHBondContact O-CA 3.14Å; K578-H582 PolarHBondContact O-N 3.28Å; K578-Q583 WeakPolarHBondContact CA-O 3.22Å; K578-Q583 WeakPolarHBondContact CB-O 3.37Å; K578-Q583 PolarHBondContact O-N 3.49Å; K578-F584 HydrophobicContact CD-CB 3.98Å; K578-F584 HydrophobicContact CG-CB 3.94Å; K578-V585 PolarHBondContact NZ-O 3.39Å; K578-P586 HydrophobicContact CB-CB 4.33Å; K578-P586 HydrophobicContact CD-CB 4.41Å
579	L	95.8	Very high	96.4	Very high	7 Å²	7	25 Å²	25	4%	0.037	14%	0.138	C	C	.	.	H	α-helix	trans	-64.2	-39.3	179	-69.3	166.5	0	0	0	112.5	I123 T147 V149 I162 H167 E575 V576 I577 P586	I123-L579 HydrophobicContact CD1-CB 3.72Å; I123-L579 HydrophobicContact CD1-CD1 4.43Å; T147-L579 HydrophobicContact CG2-CD1 3.65Å; T147-L579 HydrophobicContact CG2-CD2 4.09Å; T147-L579 HydrophobicContact CG2-CG 4.41Å; V149-L579 HydrophobicContact CG2-CD1 3.86Å; I162-L579 HydrophobicContact CD1-CD1 4.11Å; I162-L579 HydrophobicContact CG1-CD1 4.49Å; I162-L579 HydrophobicContact CG2-CD1 3.93Å; I162-L579 HydrophobicContact CG2-CD2 4.2Å; H167-L579 PolarHBondContact CE1-O 2.98Å; H167-L579 VanDerWaalsContact CE1-O 3.28Å; E575-L579 VanDerWaalsContact O-CG 3.3Å; E575-L579 WeakPolarHBondContact O-CG 3.48Å; E575-L579 PolarHBondContact O-N 2.85Å; V576-L579 WeakPolarHBondContact O-CB 3.37Å; V576-L579 PolarHBondContact O-N 3.21Å; I577-L579 VanDerWaalsContact C-N 3.31Å; I577-L579 PolarHBondContact O-N 3.42Å; L579-P586 HydrophobicContact CD2-CB 4.13Å; L579-P586 HydrophobicContact CD2-CG 4Å; L579-P586 HydrophobicContact CG-CB 4.34Å
580	I	96	Very high	96	Very high	15 Å²	15	25.2 Å²	25.2	8%	0.077	14%	0.139	C	C	.	.	H	α-helix	trans	-69.4	-48.1	177.6	-68.7	168.4	0	0	0	111.1	A25 L26 A29 V31 V52 I123 V576 I577 K578 H582	A25-I580 HydrophobicContact CB-CG2 4.27Å; A25-I580 WeakPolarHBondContact O-CG2 3.49Å; L26-I580 HydrophobicContact CD1-CD1 3.84Å; L26-I580 HydrophobicContact CD1-CG2 4.29Å; A29-I580 HydrophobicContact CB-CB 4.41Å; A29-I580 HydrophobicContact CB-CD1 3.79Å; A29-I580 HydrophobicContact CB-CG1 3.96Å; A29-I580 HydrophobicContact CB-CG2 3.56Å; V31-I580 HydrophobicContact CG2-CD1 4.17Å; V52-I580 HydrophobicContact CG2-CD1 4.49Å; I123-I580 HydrophobicContact CD1-CD1 4.15Å; I123-I580 HydrophobicContact CD1-CG1 3.47Å; I123-I580 VanDerWaalsContact CD1-CG1 3.47Å; I123-I580 HydrophobicContact CG1-CG1 4.42Å; V576-I580 HydrophobicContact CG1-CD1 3.79Å; V576-I580 HydrophobicContact CG1-CG1 4.4Å; V576-I580 VanDerWaalsContact O-CG1 3.32Å; V576-I580 WeakPolarHBondContact O-CG1 3.37Å; V576-I580 PolarHBondContact O-N 3.35Å; I577-I580 PolarHBondContact O-N 3.42Å; K578-I580 PolarHBondContact O-N 2.64Å; I580-H582 VanDerWaalsContact C-N 3.31Å; I580-H582 PolarHBondContact O-N 2.86Å
581	T	95.5	Very high	95.9	Very high	10 Å²	10	24.1 Å²	24.1	6%	0.061	13%	0.126	C	C	.	.	H	α-helix	trans	-79.8	-15	-172.9	58.3	0	0	0	0	113	G22 I577 K578 Q583	G22-T581 WeakPolarHBondContact O-CG2 3.4Å; I577-T581 HydrophobicContact CG2-CG2 4.04Å; I577-T581 WeakPolarHBondContact O-CB 3.36Å; I577-T581 WeakPolarHBondContact O-CG2 3.47Å; I577-T581 PolarHBondContact O-N 3.2Å; I577-T581 PolarHBondContact O-OG1 2.9Å; K578-T581 PolarHBondContact O-N 2.87Å; T581-Q583 PolarHBondContact O-N 3.36Å; T581-Q583 PolarHBondContact OG1-N 2.68Å
582	H	94.9	Very high	95.8	Very high	51 Å²	51	22.6 Å²	22.6	24%	0.236	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.5	29.3	-168.8	-68.7	-102.2	0	0	0	112.7	H167 V168 K578 I580	H167-H582 AromaticContact CE1-CE1 3.68Å; H167-H582 AromaticContact CE1-CG 3.71Å; H167-H582 AromaticContact CE1-ND1 3.34Å; H167-H582 PolarHBondContact CE1-ND1 3.36Å; H167-H582 VanDerWaalsContact CE1-ND1 3.34Å; H167-H582 AromaticContact ND1-CE1 3.74Å; H167-H582 AromaticContact ND1-ND1 3.72Å; V168-H582 PolarHBondContact O-ND1 3.02Å; K578-H582 WeakPolarHBondContact O-CA 3.14Å; K578-H582 PolarHBondContact O-N 3.28Å; I580-H582 VanDerWaalsContact C-N 3.31Å; I580-H582 PolarHBondContact O-N 2.86Å
583	Q	95.4	Very high	95.6	Very high	1 Å²	1	23.7 Å²	23.7	1%	0.005	12%	0.121	C	C	.	.	B	Isolated β-bridge	trans	-117.9	153.2	177.8	-65	-179.7	-11.4	0	0	110.7	W18 H21 E171 K578 T581	W18-Q583 PolarHBondContact O-NE2 3.44Å; W18-Q583 PolarHBondContact O-OE1 2.96Å; H21-Q583 PolarHBondContact CD2-NE2 3.43Å; H21-Q583 VanDerWaalsContact CD2-NE2 3.27Å; H21-Q583 PolarHBondContact NE2-NE2 2.59Å; E171-Q583 HydrophobicContact CB-CG 4.02Å; E171-Q583 CarbonylContact O-C 3.5Å; E171-Q583 VanDerWaalsContact O-CA 3.3Å; E171-Q583 WeakPolarHBondContact O-CA 3.32Å; E171-Q583 PolarHBondContact OE2-NE2 3.48Å; K578-Q583 WeakPolarHBondContact CA-O 3.22Å; K578-Q583 WeakPolarHBondContact CB-O 3.37Å; K578-Q583 PolarHBondContact O-N 3.49Å; T581-Q583 PolarHBondContact O-N 3.36Å; T581-Q583 PolarHBondContact OG1-N 2.68Å
584	F	96.5	Very high	95.4	Very high	51 Å²	51	23.7 Å²	23.7	22%	0.224	12%	0.121	C	C	.	.	S	Bend	trans	59.1	174.8	-169.8	-52.5	-96.2	0	0	0	111.8	I169 E171 H173 K578	I169-F584 WeakPolarHBondContact CD1-O 3.4Å; E171-F584 PolarHBondContact O-N 3.3Å; H173-F584 HydrophobicContact CB-CD1 3.65Å; H173-F584 HydrophobicContact CB-CE1 3.41Å; H173-F584 VanDerWaalsContact CB-CE1 3.41Å; H173-F584 HydrophobicContact CB-CG 4.33Å; H173-F584 HydrophobicContact CB-CZ 3.91Å; H173-F584 AromaticContact CD2-CE2 3.75Å; H173-F584 AromaticContact CD2-CZ 3.82Å; H173-F584 AromaticContact CG-CE1 3.9Å; H173-F584 AromaticContact CG-CZ 3.85Å; K578-F584 HydrophobicContact CD-CB 3.98Å; K578-F584 HydrophobicContact CG-CB 3.94Å
585	V	95.5	Very high	95.2	Very high	59 Å²	59	21.2 Å²	21.2	36%	0.358	11%	0.113	S	C	.	.	P	Polyproline II helix	trans	-102	118	178.9	-173.3	0	0	0	0	108.8	I169 N422 V424 K578	I169-V585 HydrophobicContact CD1-CG1 4.41Å; I169-V585 HydrophobicContact CD1-CG2 4.36Å; N422-V585 WeakPolarHBondContact ND2-CG2 3.49Å; V424-V585 HydrophobicContact CG2-CG1 4Å; K578-V585 PolarHBondContact NZ-O 3.39Å
586	P	95.9	Very high	94.8	Very high	5 Å²	5	24.6 Å²	24.6	3%	0.032	13%	0.13	C	C	.	.	P	Polyproline II helix	trans	-75.7	158.5	174.9	31.7	-33.3	0	0	0	111.4	I162 V424 E575 K578 L579 S588	I162-P586 HydrophobicContact CD1-CB 4.15Å; V424-P586 HydrophobicContact CG2-CG 4.28Å; E575-P586 WeakPolarHBondContact OE2-CA 3.49Å; K578-P586 HydrophobicContact CB-CB 4.33Å; K578-P586 HydrophobicContact CD-CB 4.41Å; L579-P586 HydrophobicContact CD2-CB 4.13Å; L579-P586 HydrophobicContact CD2-CG 4Å; L579-P586 HydrophobicContact CG-CB 4.34Å; P586-S588 PolarHBondContact O-N 2.96Å
587	V	94.4	Very high	94.4	Very high	23 Å²	23	28.5 Å²	28.5	14%	0.139	15%	0.148	C	C	.	.	P	Polyproline II helix	trans	-64.5	127.7	175.4	-63.5	0	0	0	0	110.8	L160 I162 E575 L591 L602	L160-V587 HydrophobicContact CD2-CG2 4.02Å; L160-V587 HydrophobicContact CG-CG2 4.46Å; I162-V587 HydrophobicContact CD1-CG2 3.53Å; I162-V587 WeakPolarHBondContact CD1-O 3.26Å; I162-V587 HydrophobicContact CG1-CG2 4.11Å; E575-V587 HydrophobicContact CG-CG2 4.04Å; E575-V587 PolarHBondContact OE2-N 2.81Å; V587-L591 HydrophobicContact CG1-CD1 4.36Å; V587-L602 HydrophobicContact CB-CD2 4.21Å; V587-L602 HydrophobicContact CG1-CD2 4.18Å
588	S	91	Very high	94.1	Very high	50 Å²	50	36.3 Å²	36.3	35%	0.35	19%	0.185	S	C	.	.			trans	-100.5	-10.5	-176.2	63.1	0	0	0	0	114.1	R161 P586	R161-S588 PolarHBondContact NH1-O 3.02Å; P586-S588 PolarHBondContact O-N 2.96Å
589	K	90.4	Very high	93.8	Very high	68 Å²	68	37.5 Å²	37.5	30%	0.296	19%	0.19	S	C	.	.	S	Bend	trans	-117.3	158.3	-175.3	-64.1	177.4	-169.4	175.3	0	110.2	L591 L602 L603 D604	K589-L591 PolarHBondContact O-N 3.47Å; K589-L602 HydrophobicContact CB-CB 4.22Å; K589-L602 HydrophobicContact CB-CD2 4.48Å; K589-L602 HydrophobicContact CD-CB 4.33Å; K589-L603 WeakPolarHBondContact CB-O 3.46Å; K589-D604 VanDerWaalsContact CD-OD1 3.3Å; K589-D604 WeakPolarHBondContact CD-OD1 3.5Å; K589-D604 WeakPolarHBondContact CE-OD1 3.49Å; K589-D604 IonicContact NZ-OD1 3.77Å; K589-D604 PolarHBondContact NZ-OD1 2.84Å; K589-D604 IonicContact NZ-OD2 3.21Å; K589-D604 PolarHBondContact NZ-OD2 3.26Å
590	P	91.5	Very high	93.6	Very high	3 Å²	3	40.6 Å²	40.6	2%	0.019	21%	0.206	C	C	.	.			trans	-57.5	135.4	169.7	-25	37.5	0	0	0	110.7	Y159 L160 E432 L602 L603 F605	Y159-P590 HydrophobicContact CE2-CB 4.01Å; L160-P590 WeakPolarHBondContact O-CA 3.33Å; E432-P590 WeakPolarHBondContact OE2-CG 3.48Å; P590-L602 CarbonylContact O-C 3.56Å; P590-L602 WeakPolarHBondContact O-CA 3.21Å; P590-L603 HydrophobicContact CB-CB 4.32Å; P590-L603 HydrophobicContact CB-CD1 4.26Å; P590-L603 PolarHBondContact O-N 3.42Å; P590-F605 HydrophobicContact CB-CE2 4.16Å; P590-F605 HydrophobicContact CG-CD2 4.31Å; P590-F605 HydrophobicContact CG-CE2 3.53Å; P590-F605 HydrophobicContact CG-CZ 4.33Å
591	L	95.3	Very high	93.4	Very high	7 Å²	7	41.6 Å²	41.6	4%	0.037	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	131.2	-179.3	-178.3	152.4	0	0	0	108.5	Y159 L160 M568 V587 K589 I600 E601 L602	Y159-L591 WeakPolarHBondContact CA-O 3.46Å; L160-L591 HydrophobicContact CB-CB 4.16Å; L160-L591 HydrophobicContact CB-CD2 4.36Å; L160-L591 HydrophobicContact CD2-CD1 4.49Å; L160-L591 PolarHBondContact N-O 2.97Å; L160-L591 PolarHBondContact O-N 3.15Å; M568-L591 HydrophobicContact CE-CD2 4.47Å; V587-L591 HydrophobicContact CG1-CD1 4.36Å; K589-L591 PolarHBondContact O-N 3.47Å; L591-I600 HydrophobicContact CD1-CG2 3.58Å; L591-I600 HydrophobicContact CD2-CG2 3.94Å; L591-I600 HydrophobicContact CG-CG2 3.65Å; L591-E601 WeakPolarHBondContact CA-O 3.25Å; L591-L602 HydrophobicContact CB-CD2 3.79Å; L591-L602 HydrophobicContact CD1-CD2 3.96Å; L591-L602 HydrophobicContact CG-CD2 4.12Å
592	I	95.4	Very high	93.2	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	129	169.9	-65.4	-70.6	0	0	0	108.4	I157 G158 Y159 W457 L461 I600 E601 L603	I157-I592 HydrophobicContact CG2-CG2 4.34Å; G158-I592 WeakPolarHBondContact O-CA 3.47Å; Y159-I592 HydrophobicContact CD2-CD1 3.77Å; W457-I592 HydrophobicContact CB-CG2 4.38Å; L461-I592 HydrophobicContact CD1-CD1 3.85Å; I592-I600 WeakPolarHBondContact O-CA 3.33Å; I592-E601 PolarHBondContact N-O 2.95Å; I592-E601 PolarHBondContact O-N 3.33Å; I592-L603 HydrophobicContact CG1-CD1 3.84Å; I592-L603 HydrophobicContact CG1-CD2 4.38Å; I592-L603 HydrophobicContact CG1-CG 4.21Å
593	Y	96.5	Very high	92.8	Very high	24 Å²	24	42.4 Å²	42.4	9%	0.094	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	123.5	165.3	173.6	-126.1	0	0	0	108.8	I157 G158 V564 F567 M568 A595 K599 I600	I157-Y593 CarbonylContact C-O 3.43Å; I157-Y593 WeakPolarHBondContact CA-O 3.36Å; G158-Y593 PolarHBondContact N-O 3.02Å; G158-Y593 PolarHBondContact O-N 2.94Å; V564-Y593 HydrophobicContact CG1-CD1 4.03Å; V564-Y593 HydrophobicContact CG1-CE1 3.96Å; F567-Y593 HydrophobicContact CB-CE1 4.44Å; F567-Y593 AromaticContact CD1-CD1 3.61Å; F567-Y593 HydrophobicContact CD1-CD1 3.61Å; F567-Y593 HydrophobicContact CD1-CD2 4.07Å; F567-Y593 AromaticContact CD1-CE1 3.48Å; F567-Y593 HydrophobicContact CD1-CE1 3.48Å; F567-Y593 VanDerWaalsContact CD1-CE1 3.48Å; F567-Y593 AromaticContact CD1-CE2 3.98Å; F567-Y593 HydrophobicContact CD1-CE2 3.98Å; F567-Y593 AromaticContact CD1-CG 3.9Å; F567-Y593 HydrophobicContact CD1-CG 3.9Å; F567-Y593 AromaticContact CD1-CZ 3.68Å; F567-Y593 AromaticContact CE1-CD1 3.89Å; F567-Y593 HydrophobicContact CE1-CD1 3.89Å; F567-Y593 AromaticContact CE1-CD2 3.5Å; F567-Y593 HydrophobicContact CE1-CD2 3.5Å; F567-Y593 AromaticContact CE1-CE1 3.94Å; F567-Y593 HydrophobicContact CE1-CE1 3.94Å; F567-Y593 AromaticContact CE1-CE2 3.58Å; F567-Y593 HydrophobicContact CE1-CE2 3.58Å; F567-Y593 AromaticContact CE1-CG 3.67Å; F567-Y593 HydrophobicContact CE1-CG 3.67Å; F567-Y593 AromaticContact CE1-CZ 3.8Å; F567-Y593 HydrophobicContact CG-CE1 4.12Å; F567-Y593 HydrophobicContact CZ-CD2 4.22Å; F567-Y593 HydrophobicContact CZ-CE2 4.03Å; M568-Y593 HydrophobicContact CG-CD1 4.14Å; M568-Y593 VanDerWaalsContact SD-CB 3.56Å; M568-Y593 HydrophobicContact SD-CD1 4.04Å; M568-Y593 HydrophobicContact SD-CG 4.13Å; Y593-A595 HydrophobicContact CE1-CB 3.65Å; Y593-A595 HydrophobicContact CE2-CB 4.48Å; Y593-A595 WeakPolarHBondContact OH-CB 3.48Å; Y593-K599 WeakPolarHBondContact CA-O 3.49Å; Y593-K599 WeakPolarHBondContact CD2-O 3.17Å; Y593-I600 HydrophobicContact CD2-CG1 3.78Å; Y593-I600 HydrophobicContact CG-CG1 4.42Å
594	N	94.1	Very high	91.8	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	105	173.3	-178.7	-11.8	0	0	0	108.6	I157 D453 W457 I596 H597 Q598 K599	I157-N594 HydrophobicContact CD1-CB 4.13Å; D453-N594 PolarHBondContact OD1-ND2 3.47Å; D453-N594 PolarHBondContact OD2-ND2 2.86Å; W457-N594 PolarHBondContact NE1-ND2 3.17Å; N594-I596 VanDerWaalsContact C-N 3.29Å; N594-I596 PolarHBondContact O-N 3.15Å; N594-I596 WeakPolarHBondContact OD1-CB 3.39Å; N594-I596 WeakPolarHBondContact OD1-CG1 3.44Å; N594-I596 PolarHBondContact OD1-N 3.35Å; N594-H597 PolarHBondContact ND2-ND1 3.49Å; N594-H597 VanDerWaalsContact ND2-ND1 3.14Å; N594-H597 PolarHBondContact O-N 2.8Å; N594-Q598 WeakPolarHBondContact O-CA 3.49Å; N594-Q598 PolarHBondContact O-N 3.42Å; N594-K599 PolarHBondContact N-O 2.89Å; N594-K599 PolarHBondContact O-N 3.08Å
595	A	94.2	Very high	90.4	Very high	21 Å²	21	48.1 Å²	48.1	17%	0.174	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.3	-15.5	-178.6	0	0	0	0	0	113.5	V156 V564 Y593 H597	V156-A595 HydrophobicContact CB-CB 3.97Å; V156-A595 HydrophobicContact CG1-CB 4.45Å; V156-A595 VanDerWaalsContact O-CB 3.24Å; V156-A595 WeakPolarHBondContact O-CB 3.44Å; V156-A595 PolarHBondContact O-N 2.91Å; V564-A595 HydrophobicContact CG2-CB 3.93Å; Y593-A595 HydrophobicContact CE1-CB 3.65Å; Y593-A595 HydrophobicContact CE2-CB 4.48Å; Y593-A595 WeakPolarHBondContact OH-CB 3.48Å; A595-H597 VanDerWaalsContact C-N 3.31Å
596	I	89.5	Confident	90.1	Very high	83 Å²	83	47.6 Å²	47.6	43%	0.426	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-45.8	172.5	-54.2	173.5	0	0	0	109.2	V156 W457 N594	V156-I596 HydrophobicContact CB-CG1 4.21Å; V156-I596 HydrophobicContact CG2-CD1 3.82Å; V156-I596 HydrophobicContact CG2-CG1 3.48Å; V156-I596 VanDerWaalsContact CG2-CG1 3.48Å; W457-I596 HydrophobicContact CZ2-CD1 4.04Å; N594-I596 VanDerWaalsContact C-N 3.29Å; N594-I596 PolarHBondContact O-N 3.15Å; N594-I596 WeakPolarHBondContact OD1-CB 3.39Å; N594-I596 WeakPolarHBondContact OD1-CG1 3.44Å; N594-I596 PolarHBondContact OD1-N 3.35Å
597	H	89.2	Confident	89.8	Confident	83 Å²	83	49.8 Å²	49.8	38%	0.384	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.2	0.8	-179.4	-57.7	127.1	0	0	0	113.6	D453 N594 A595 K599	D453-H597 IonicContact OD1-ND1 3.32Å; D453-H597 IonicContact OD2-CE1 2.76Å; D453-H597 IonicContact OD2-ND1 3.96Å; N594-H597 PolarHBondContact ND2-ND1 3.49Å; N594-H597 VanDerWaalsContact ND2-ND1 3.14Å; N594-H597 PolarHBondContact O-N 2.8Å; A595-H597 VanDerWaalsContact C-N 3.31Å; H597-K599 HydrophobicContact CB-CB 4.34Å; H597-K599 PolarHBondContact O-N 3.25Å
598	Q	91	Very high	89.5	Confident	168 Å²	168	51.3 Å²	51.3	79%	0.785	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	50	42.4	-173.6	-57.9	178.8	17	0	0	112.9	N594	N594-Q598 WeakPolarHBondContact O-CA 3.49Å; N594-Q598 PolarHBondContact O-N 3.42Å
599	K	91.4	Very high	89.5	Confident	58 Å²	58	51.4 Å²	51.4	25%	0.252	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	137.9	-173.5	-168.8	-175.9	179.1	-157.6	0	111.2	G451 N452 Y593 N594 H597 E601	G451-K599 PolarHBondContact O-NZ 3.48Å; N452-K599 PolarHBondContact OD1-NZ 3.03Å; Y593-K599 WeakPolarHBondContact CA-O 3.49Å; Y593-K599 WeakPolarHBondContact CD2-O 3.17Å; N594-K599 PolarHBondContact N-O 2.89Å; N594-K599 PolarHBondContact O-N 3.08Å; H597-K599 HydrophobicContact CB-CB 4.34Å; H597-K599 PolarHBondContact O-N 3.25Å; K599-E601 IonicContact NZ-OE2 2.64Å; K599-E601 PolarHBondContact NZ-OE2 3.2Å
600	I	92.6	Very high	89.4	Confident	73 Å²	73	50.3 Å²	50.3	37%	0.374	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	135.8	164	-70.1	173.3	0	0	0	108.4	F567 V571 L591 I592 Y593	F567-I600 HydrophobicContact CE1-CD1 3.67Å; F567-I600 HydrophobicContact CE1-CG1 4.11Å; F567-I600 HydrophobicContact CZ-CD1 3.51Å; F567-I600 HydrophobicContact CZ-CG1 4.2Å; V571-I600 HydrophobicContact CG2-CD1 4.48Å; L591-I600 HydrophobicContact CD1-CG2 3.58Å; L591-I600 HydrophobicContact CD2-CG2 3.94Å; L591-I600 HydrophobicContact CG-CG2 3.65Å; I592-I600 WeakPolarHBondContact O-CA 3.33Å; Y593-I600 HydrophobicContact CD2-CG1 3.78Å; Y593-I600 HydrophobicContact CG-CG1 4.42Å
601	E	91.9	Very high	89.3	Confident	36 Å²	36	53.5 Å²	53.5	17%	0.168	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	139.8	174.1	-159	171.7	157.1	0	0	111.2	N452 S454 L591 I592 K599	N452-E601 VanDerWaalsContact CG-OE1 3.24Å; N452-E601 PolarHBondContact ND2-OE1 2.99Å; N452-E601 VanDerWaalsContact OD1-CD 3.31Å; N452-E601 PolarHBondContact OD1-OE1 3.45Å; N452-E601 PolarHBondContact OD1-OE2 3.32Å; N452-E601 VanDerWaalsContact OD1-OE2 3.12Å; S454-E601 VanDerWaalsContact CB-OE2 3.28Å; S454-E601 WeakPolarHBondContact CB-OE2 3.32Å; S454-E601 WeakPolarHBondContact OG-CB 3.34Å; S454-E601 PolarHBondContact OG-OE2 2.72Å; L591-E601 WeakPolarHBondContact CA-O 3.25Å; I592-E601 PolarHBondContact N-O 2.95Å; I592-E601 PolarHBondContact O-N 3.33Å; K599-E601 IonicContact NZ-OE2 2.64Å; K599-E601 PolarHBondContact NZ-OE2 3.2Å
602	L	90.6	Very high	88.8	Confident	73 Å²	73	56.8 Å²	56.8	38%	0.382	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	127.1	170.4	-66.6	178.9	0	0	0	108.8	V587 K589 P590 L591	V587-L602 HydrophobicContact CB-CD2 4.21Å; V587-L602 HydrophobicContact CG1-CD2 4.18Å; K589-L602 HydrophobicContact CB-CB 4.22Å; K589-L602 HydrophobicContact CB-CD2 4.48Å; K589-L602 HydrophobicContact CD-CB 4.33Å; P590-L602 CarbonylContact O-C 3.56Å; P590-L602 WeakPolarHBondContact O-CA 3.21Å; L591-L602 HydrophobicContact CB-CD2 3.79Å; L591-L602 HydrophobicContact CD1-CD2 3.96Å; L591-L602 HydrophobicContact CG-CD2 4.12Å
603	L	85.9	Confident	88.3	Confident	4 Å²	4	61.2 Å²	61.2	2%	0.021	30%	0.302	C	S	.	.	P	Polyproline II helix	trans	-84.2	124.5	-177.4	-57.3	-176.4	0	0	0	110.9	M455 Y458 K589 P590 I592 F605	M455-L603 HydrophobicContact CB-CD2 4.37Å; M455-L603 HydrophobicContact CE-CB 4.07Å; M455-L603 HydrophobicContact CE-CD1 4.41Å; M455-L603 HydrophobicContact CE-CD2 4.28Å; M455-L603 HydrophobicContact CE-CG 4.48Å; M455-L603 HydrophobicContact SD-CD1 4.19Å; Y458-L603 HydrophobicContact CD1-CD1 4.34Å; Y458-L603 HydrophobicContact CD2-CD1 3.76Å; Y458-L603 HydrophobicContact CG-CD1 3.61Å; K589-L603 WeakPolarHBondContact CB-O 3.46Å; P590-L603 HydrophobicContact CB-CB 4.32Å; P590-L603 HydrophobicContact CB-CD1 4.26Å; P590-L603 PolarHBondContact O-N 3.42Å; I592-L603 HydrophobicContact CG1-CD1 3.84Å; I592-L603 HydrophobicContact CG1-CD2 4.38Å; I592-L603 HydrophobicContact CG1-CG 4.21Å; L603-F605 HydrophobicContact CB-CD2 4.27Å; L603-F605 HydrophobicContact CB-CE2 3.6Å; L603-F605 HydrophobicContact CB-CZ 4.17Å; L603-F605 HydrophobicContact CD1-CE2 4.29Å; L603-F605 HydrophobicContact CD1-CZ 4.14Å
604	D	74.8	Confident	87.7	Confident	111 Å²	111	64.3 Å²	64.3	59%	0.594	32%	0.319	S	S	*	.	P	Polyproline II helix	trans	-92.7	131.9	169.2	-89.5	-49	0	0	0	110.6	K589	K589-D604 VanDerWaalsContact CD-OD1 3.3Å; K589-D604 WeakPolarHBondContact CD-OD1 3.5Å; K589-D604 WeakPolarHBondContact CE-OD1 3.49Å; K589-D604 IonicContact NZ-OD1 3.77Å; K589-D604 PolarHBondContact NZ-OD1 2.84Å; K589-D604 IonicContact NZ-OD2 3.21Å; K589-D604 PolarHBondContact NZ-OD2 3.26Å
605	F	66.5	Low	87.1	Confident	61 Å²	61	70.1 Å²	70.1	27%	0.268	35%	0.348	S	S	.	.			trans	-126.6	0	-179.5	-67.5	-91.9	0	0	0	110.5	R427 A438 M455 Y458 F538 P590 L603	R427-F605 VanDerWaalsContact NH1-CB 3.27Å; R427-F605 VanDerWaalsContact NH2-CD2 3.34Å; A438-F605 VanDerWaalsContact CA-OXT 3.3Å; A438-F605 WeakPolarHBondContact CA-OXT 3.47Å; A438-F605 HydrophobicContact CB-CB 4.33Å; A438-F605 WeakPolarHBondContact CB-OXT 3.48Å; M455-F605 HydrophobicContact CE-CD1 4.38Å; M455-F605 HydrophobicContact CE-CE1 4.08Å; M455-F605 HydrophobicContact CE-CZ 4.19Å; M455-F605 HydrophobicContact SD-CE1 4.15Å; M455-F605 HydrophobicContact SD-CZ 4.29Å; Y458-F605 HydrophobicContact CD1-CE1 4.37Å; Y458-F605 HydrophobicContact CD1-CZ 4.12Å; Y458-F605 AromaticContact CE1-CE1 3.8Å; Y458-F605 HydrophobicContact CE1-CE1 3.8Å; Y458-F605 AromaticContact CE1-CZ 3.68Å; Y458-F605 HydrophobicContact CE1-CZ 3.68Å; Y458-F605 HydrophobicContact CE2-CZ 4.24Å; Y458-F605 AromaticContact CZ-CZ 3.73Å; F538-F605 HydrophobicContact CE1-CD1 4.45Å; F538-F605 HydrophobicContact CE1-CE1 4.1Å; P590-F605 HydrophobicContact CB-CE2 4.16Å; P590-F605 HydrophobicContact CG-CD2 4.31Å; P590-F605 HydrophobicContact CG-CE2 3.53Å; P590-F605 HydrophobicContact CG-CZ 4.33Å; L603-F605 HydrophobicContact CB-CD2 4.27Å; L603-F605 HydrophobicContact CB-CE2 3.6Å; L603-F605 HydrophobicContact CB-CZ 4.17Å; L603-F605 HydrophobicContact CD1-CE2 4.29Å; L603-F605 HydrophobicContact CD1-CZ 4.14Å

Retrieved 605 of 605 residues in 192.4 ms (Link to these results)

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