A0A087XQP4_POEFO Loading...

TBC1 domain family, member 16

AlphaFold DB , UniProt , Accession A0A087XQP4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 723 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	45.2	Very low	53.1	Low	156 Å²	156	87.8 Å²	87.8	77%	0.768	42%	0.42	S	S	*	.				0	144.3	0	-75.1	-177.3	-84.8	0	0	107.6	L6 V105	M1-L6 HydrophobicContact CE-CD1 4.16Å; M1-V105 HydrophobicContact CE-CG2 4.31Å
2	S	47.8	Very low	53.3	Low	73 Å²	73	85.8 Å²	85.8	51%	0.51	42%	0.422	S	S	.	.			trans	-67.8	145.5	173	63.9	0	0	0	0	110.7	G4 R5 L6	S2-G4 VanDerWaalsContact C-N 3.3Å; S2-G4 PolarHBondContact O-N 3.5Å; S2-R5 PolarHBondContact O-N 3.18Å; S2-L6 PolarHBondContact O-N 3.18Å
3	L	50.5	Low	53.4	Low	66 Å²	66	85.2 Å²	85.2	35%	0.346	42%	0.415	S	S	.	.	H	α-helix	trans	-52	-47.8	-174.1	175.5	57.9	0	0	0	112.2	R5 L6 L7 I87	L3-R5 PolarHBondContact O-N 3.12Å; L3-R5 VanDerWaalsContact O-N 3.14Å; L3-L6 WeakPolarHBondContact O-CA 3.45Å; L3-L6 WeakPolarHBondContact O-CB 3.39Å; L3-L6 PolarHBondContact O-N 3.04Å; L3-L7 HydrophobicContact CD1-CD1 4Å; L3-L7 HydrophobicContact CD1-CD2 3.9Å; L3-L7 HydrophobicContact CD1-CG 3.75Å; L3-L7 HydrophobicContact CG-CD1 3.98Å; L3-L7 HydrophobicContact CG-CG 4.13Å; L3-L7 PolarHBondContact O-N 2.87Å; L3-I87 HydrophobicContact CD1-CG2 3.33Å; L3-I87 HydrophobicContact CD2-CG2 3.61Å; L3-I87 HydrophobicContact CG-CG2 4.09Å
4	G	50.4	Low	53.4	Low	32 Å²	32	79.3 Å²	79.3	33%	0.33	39%	0.387	S	S	.	.	H	α-helix	trans	-61.5	-20.6	177.8	0	0	0	0	0	115	S2 R8	S2-G4 VanDerWaalsContact C-N 3.3Å; S2-G4 PolarHBondContact O-N 3.5Å; G4-R8 WeakPolarHBondContact O-CB 3.47Å; G4-R8 WeakPolarHBondContact O-CG 3.48Å; G4-R8 PolarHBondContact O-N 2.99Å; G4-R8 PolarHBondContact O-NE 3.05Å; G4-R8 PolarHBondContact O-NH2 2.96Å
5	R	54.1	Low	53.1	Low	173 Å²	173	77.6 Å²	77.6	65%	0.653	39%	0.387	S	S	*	.	H	α-helix	trans	-81.3	-29.3	170.2	-70.3	-170.9	-174.5	-160.7	4.3	112.1	S2 L3 R9	S2-R5 PolarHBondContact O-N 3.18Å; L3-R5 PolarHBondContact O-N 3.12Å; L3-R5 VanDerWaalsContact O-N 3.14Å; R5-R9 PolarHBondContact O-N 2.7Å
6	L	56.8	Low	52.6	Low	35 Å²	35	79 Å²	79	18%	0.183	40%	0.396	C	S	.	.	H	α-helix	trans	-74.1	-49.6	177	-164	125.4	0	0	0	111.1	M1 S2 L3 R8 R9 A10	M1-L6 HydrophobicContact CE-CD1 4.16Å; S2-L6 PolarHBondContact O-N 3.18Å; L3-L6 WeakPolarHBondContact O-CA 3.45Å; L3-L6 WeakPolarHBondContact O-CB 3.39Å; L3-L6 PolarHBondContact O-N 3.04Å; L6-R8 VanDerWaalsContact C-N 3.33Å; L6-R8 PolarHBondContact O-N 3.42Å; L6-R9 PolarHBondContact O-N 2.85Å; L6-R9 VanDerWaalsContact O-N 3.1Å; L6-A10 PolarHBondContact O-N 3.39Å
7	L	58	Low	52.4	Low	20 Å²	20	77.6 Å²	77.6	11%	0.105	39%	0.39	C	S	.	.	H	α-helix	trans	-62.1	-37.1	177.9	-57.1	-174.9	0	0	0	112.6	L3 A10 S11 Y62 I98	L3-L7 HydrophobicContact CD1-CD1 4Å; L3-L7 HydrophobicContact CD1-CD2 3.9Å; L3-L7 HydrophobicContact CD1-CG 3.75Å; L3-L7 HydrophobicContact CG-CD1 3.98Å; L3-L7 HydrophobicContact CG-CG 4.13Å; L3-L7 PolarHBondContact O-N 2.87Å; L7-A10 PolarHBondContact O-N 3.17Å; L7-S11 VanDerWaalsContact O-CB 3.3Å; L7-S11 WeakPolarHBondContact O-CB 3.41Å; L7-S11 PolarHBondContact O-N 3.06Å; L7-Y62 HydrophobicContact CB-CE2 3.98Å; L7-Y62 HydrophobicContact CD1-CD2 4.07Å; L7-Y62 HydrophobicContact CD1-CE2 4.14Å; L7-Y62 HydrophobicContact CD2-CD1 4.49Å; L7-Y62 HydrophobicContact CD2-CD2 3.9Å; L7-Y62 HydrophobicContact CD2-CE1 4.3Å; L7-Y62 HydrophobicContact CD2-CE2 3.72Å; L7-Y62 HydrophobicContact CD2-CG 4.28Å; L7-Y62 HydrophobicContact CG-CD2 4.43Å; L7-Y62 HydrophobicContact CG-CE2 4.14Å; L7-Y62 PolarHBondContact O-OH 3.3Å; L7-I98 HydrophobicContact CD2-CD1 3.83Å
8	R	56	Low	51.8	Low	175 Å²	175	75.4 Å²	75.4	66%	0.66	38%	0.379	S	S	*	.	H	α-helix	trans	-66.4	-35.9	173.6	-82.9	-179.3	-75.2	-153.5	-4.3	112.7	G4 L6 S12	G4-R8 WeakPolarHBondContact O-CB 3.47Å; G4-R8 WeakPolarHBondContact O-CG 3.48Å; G4-R8 PolarHBondContact O-N 2.99Å; G4-R8 PolarHBondContact O-NE 3.05Å; G4-R8 PolarHBondContact O-NH2 2.96Å; L6-R8 VanDerWaalsContact C-N 3.33Å; L6-R8 PolarHBondContact O-N 3.42Å; R8-S12 WeakPolarHBondContact O-CB 3.37Å; R8-S12 PolarHBondContact O-N 3.44Å
9	R	56.8	Low	51.3	Low	184 Å²	184	77.1 Å²	77.1	69%	0.694	39%	0.394	S	S	*	.	H	α-helix	trans	-68.3	-40.4	174.4	-94.5	-176.1	164.7	176.8	-5.4	112.7	R5 L6 K13	R5-R9 PolarHBondContact O-N 2.7Å; L6-R9 PolarHBondContact O-N 2.85Å; L6-R9 VanDerWaalsContact O-N 3.1Å; R9-K13 PolarHBondContact O-N 3.07Å; R9-K13 VanDerWaalsContact O-N 3.16Å
10	A	53.8	Low	50.7	Low	5 Å²	5	77.5 Å²	77.5	4%	0.041	40%	0.397	C	S	.	.	H	α-helix	trans	-64.6	-45.6	174.6	0	0	0	0	0	111.7	L6 L7 K13 A14	L6-A10 PolarHBondContact O-N 3.39Å; L7-A10 PolarHBondContact O-N 3.17Å; A10-K13 PolarHBondContact O-N 3.41Å; A10-A14 PolarHBondContact O-N 3.19Å
11	S	55.3	Low	49.9	Very low	47 Å²	47	80.1 Å²	80.1	33%	0.329	41%	0.411	S	S	.	.	H	α-helix	trans	-67.4	-35.8	179.3	-175.3	0	0	0	0	113.5	L7 S15 S40	L7-S11 VanDerWaalsContact O-CB 3.3Å; L7-S11 WeakPolarHBondContact O-CB 3.41Å; L7-S11 PolarHBondContact O-N 3.06Å; S11-S15 WeakPolarHBondContact O-CB 3.32Å; S11-S15 PolarHBondContact O-N 3.1Å; S11-S15 PolarHBondContact O-OG 2.93Å; S11-S40 WeakPolarHBondContact CA-OG 3.44Å
12	S	54.6	Low	49.3	Very low	63 Å²	63	79 Å²	79	44%	0.441	42%	0.416	S	S	.	.	H	α-helix	trans	-61.3	-55.1	171.1	-168.8	0	0	0	0	110.9	R8 A14 S15 D16	R8-S12 WeakPolarHBondContact O-CB 3.37Å; R8-S12 PolarHBondContact O-N 3.44Å; S12-A14 VanDerWaalsContact C-N 3.28Å; S12-A14 PolarHBondContact O-N 3.34Å; S12-S15 WeakPolarHBondContact O-CA 3.47Å; S12-S15 WeakPolarHBondContact O-CB 3.15Å; S12-S15 PolarHBondContact O-N 3.23Å; S12-D16 PolarHBondContact O-N 3.28Å; S12-D16 VanDerWaalsContact O-OD2 3.1Å
13	K	54.9	Low	48.6	Very low	78 Å²	78	79.2 Å²	79.2	34%	0.339	43%	0.43	S	S	.	.	H	α-helix	trans	-53	-44.2	179	-107	-165.9	147.6	-143.2	0	112.9	R9 A10 D16 L17 E36 P100 S102	R9-K13 PolarHBondContact O-N 3.07Å; R9-K13 VanDerWaalsContact O-N 3.16Å; A10-K13 PolarHBondContact O-N 3.41Å; K13-D16 PolarHBondContact O-N 2.81Å; K13-L17 PolarHBondContact O-N 3.12Å; K13-E36 IonicContact NZ-OE1 2.81Å; K13-E36 PolarHBondContact NZ-OE1 2.72Å; K13-E36 IonicContact NZ-OE2 3.87Å; K13-E36 PolarHBondContact NZ-OE2 2.94Å; K13-P100 HydrophobicContact CD-CG 4.31Å; K13-S102 PolarHBondContact NZ-OG 3.15Å
14	A	53.2	Low	47.7	Very low	3 Å²	3	79.5 Å²	79.5	3%	0.025	44%	0.442	C	S	.	.	H	α-helix	trans	-64.3	-41.7	176.9	0	0	0	0	0	111.7	A10 S12 D16 L17 L18 I37	A10-A14 PolarHBondContact O-N 3.19Å; S12-A14 VanDerWaalsContact C-N 3.28Å; S12-A14 PolarHBondContact O-N 3.34Å; A14-D16 PolarHBondContact O-N 3.04Å; A14-L17 PolarHBondContact O-N 3.39Å; A14-L18 WeakPolarHBondContact O-CG 3.24Å; A14-L18 PolarHBondContact O-N 2.62Å; A14-I37 WeakPolarHBondContact CA-O 3.33Å; A14-I37 HydrophobicContact CB-CG2 4.26Å; A14-I37 WeakPolarHBondContact CB-O 3.49Å
15	S	48.5	Very low	46.8	Very low	54 Å²	54	81.2 Å²	81.2	38%	0.378	46%	0.459	S	S	.	.	H	α-helix	trans	-64.1	-38.7	178.2	-56.4	0	0	0	0	112.7	S11 S12 L17 L18	S11-S15 WeakPolarHBondContact O-CB 3.32Å; S11-S15 PolarHBondContact O-N 3.1Å; S11-S15 PolarHBondContact O-OG 2.93Å; S12-S15 WeakPolarHBondContact O-CA 3.47Å; S12-S15 WeakPolarHBondContact O-CB 3.15Å; S12-S15 PolarHBondContact O-N 3.23Å; S15-L17 VanDerWaalsContact C-N 3.3Å; S15-L17 PolarHBondContact O-N 3.23Å; S15-L18 PolarHBondContact O-N 3.47Å
16	D	46.2	Very low	45.8	Very low	100 Å²	100	77.4 Å²	77.4	54%	0.535	47%	0.473	S	S	.	.	H	α-helix	trans	-63.9	-35.6	177.8	-56.2	-39	0	0	0	111.5	S12 K13 A14 L18 T19	S12-D16 PolarHBondContact O-N 3.28Å; S12-D16 VanDerWaalsContact O-OD2 3.1Å; K13-D16 PolarHBondContact O-N 2.81Å; A14-D16 PolarHBondContact O-N 3.04Å; D16-L18 VanDerWaalsContact C-N 3.31Å; D16-L18 PolarHBondContact O-N 3.26Å; D16-T19 PolarHBondContact O-N 2.99Å; D16-T19 PolarHBondContact O-OG1 3.01Å
17	L	49.4	Very low	44.7	Very low	56 Å²	56	79.2 Å²	79.2	29%	0.293	49%	0.489	S	S	.	.	H	α-helix	trans	-73.1	-19.1	177.7	-70.2	174.5	0	0	0	113.9	K13 A14 S15 T19 L33 E36 I38	K13-L17 PolarHBondContact O-N 3.12Å; A14-L17 PolarHBondContact O-N 3.39Å; S15-L17 VanDerWaalsContact C-N 3.3Å; S15-L17 PolarHBondContact O-N 3.23Å; L17-T19 VanDerWaalsContact C-N 3.33Å; L17-L33 HydrophobicContact CD1-CD2 4.44Å; L17-L33 HydrophobicContact CD2-CD2 3.84Å; L17-E36 HydrophobicContact CD1-CB 4.3Å; L17-I38 HydrophobicContact CD1-CG2 4.44Å
18	L	41.5	Very low	43.9	Very low	37 Å²	37	81.7 Å²	81.7	19%	0.194	51%	0.508	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.8	-15.8	176.6	-64.2	173.5	0	0	0	113	A14 S15 D16 L20 K290 V294	A14-L18 WeakPolarHBondContact O-CG 3.24Å; A14-L18 PolarHBondContact O-N 2.62Å; S15-L18 PolarHBondContact O-N 3.47Å; D16-L18 VanDerWaalsContact C-N 3.31Å; D16-L18 PolarHBondContact O-N 3.26Å; L18-L20 PolarHBondContact O-N 2.87Å; L18-K290 HydrophobicContact CD1-CB 4.38Å; L18-K290 HydrophobicContact CD1-CD 4.36Å; L18-V294 HydrophobicContact CD2-CG2 3.35Å
19	T	41.8	Very low	43.3	Very low	108 Å²	108	77.3 Å²	77.3	66%	0.663	50%	0.497	S	S	*	.			trans	-82	30.9	-175.4	64.3	0	0	0	0	114.4	D16 L17 N21	D16-T19 PolarHBondContact O-N 2.99Å; D16-T19 PolarHBondContact O-OG1 3.01Å; L17-T19 VanDerWaalsContact C-N 3.33Å; T19-N21 PolarHBondContact O-N 3.05Å
20	L	38.7	Very low	42.6	Very low	85 Å²	85	78.1 Å²	78.1	45%	0.445	50%	0.5	S	S	.	.			trans	-72.8	99.2	177.4	-70	177.2	0	0	0	110.7	L18 S28	L18-L20 PolarHBondContact O-N 2.87Å; L20-S28 WeakPolarHBondContact CD2-OG 3.49Å
21	N	34.8	Very low	41.9	Very low	132 Å²	132	83.4 Å²	83.4	71%	0.706	54%	0.537	S	S	*	.			trans	-51.9	129.2	-176.5	-98.4	-43.8	0	0	0	113.3	T19 G23 A24	T19-N21 PolarHBondContact O-N 3.05Å; N21-G23 PolarHBondContact O-N 2.94Å; N21-A24 PolarHBondContact O-N 3.06Å
22	P	33.3	Very low	41.6	Very low	134 Å²	134	84.1 Å²	84.1	87%	0.87	55%	0.551	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.6	-5.4	177.9	29.1	-35.9	0	0	0	114.1
23	G	31.3	Very low	41.8	Very low	77 Å²	77	83 Å²	83	79%	0.794	54%	0.541	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.8	-6.4	173.4	0	0	0	0	0	115.1	N21	N21-G23 PolarHBondContact O-N 2.94Å
24	A	31.9	Very low	42.3	Very low	72 Å²	72	82.9 Å²	82.9	60%	0.595	54%	0.543	S	S	*	.	S	Bend	trans	-89.5	118.3	176.2	0	0	0	0	0	110.6	N21	N21-A24 PolarHBondContact O-N 3.06Å
25	G	31.2	Very low	42.9	Very low	68 Å²	68	83.4 Å²	83.4	70%	0.701	55%	0.549	S	S	*	.			trans	-54.5	142.5	-177.8	0	0	0	0	0	113.6	S27	G25-S27 PolarHBondContact O-N 2.84Å
26	G	33.6	Very low	44.1	Very low	92 Å²	92	82.1 Å²	82.1	95%	0.948	54%	0.537	S	S	*	.	S	Bend	trans	-53.3	94.3	-165.6	0	0	0	0	0	115.7
27	S	34.3	Very low	45.6	Very low	74 Å²	74	77.6 Å²	77.6	52%	0.517	51%	0.513	S	S	.	.			trans	-155	-6.9	174.4	-159.8	0	0	0	0	113.9	G25 L29 R30	G25-S27 PolarHBondContact O-N 2.84Å; S27-L29 VanDerWaalsContact C-N 3.31Å; S27-L29 PolarHBondContact O-N 3.02Å; S27-R30 WeakPolarHBondContact O-CB 3.37Å; S27-R30 WeakPolarHBondContact O-CG 3.49Å
28	S	40	Very low	47.2	Very low	72 Å²	72	76 Å²	76	50%	0.503	50%	0.504	S	S	.	.			trans	-69.6	-18.6	-164.2	-161.5	0	0	0	0	115.8	L20 R30	L20-S28 WeakPolarHBondContact CD2-OG 3.49Å; S28-R30 PolarHBondContact O-N 3.23Å; S28-R30 VanDerWaalsContact O-N 3.15Å
29	L	43.4	Very low	49.4	Very low	83 Å²	83	74.6 Å²	74.6	44%	0.435	50%	0.497	S	S	.	.	S	Bend	trans	-86.4	40.4	177.4	-143.5	86.4	0	0	0	112.5	S27 L33 C301	S27-L29 VanDerWaalsContact C-N 3.31Å; S27-L29 PolarHBondContact O-N 3.02Å; L29-L33 HydrophobicContact CD1-CD1 4.37Å; L29-C301 HydrophobicContact CD2-CB 3.91Å
30	R	42	Very low	51.6	Low	201 Å²	201	70 Å²	70	76%	0.758	47%	0.469	S	S	*	.	S	Bend	trans	-116.6	130.7	-177.5	-74.3	-172.4	167.3	-157.2	-4.3	113.3	S27 S28 G32	S27-R30 WeakPolarHBondContact O-CB 3.37Å; S27-R30 WeakPolarHBondContact O-CG 3.49Å; S28-R30 PolarHBondContact O-N 3.23Å; S28-R30 VanDerWaalsContact O-N 3.15Å; R30-G32 VanDerWaalsContact C-N 3.28Å; R30-G32 PolarHBondContact O-N 3.47Å
31	S	40.8	Very low	53.9	Low	116 Å²	116	68.3 Å²	68.3	81%	0.811	46%	0.458	S	S	*	.	S	Bend	trans	68.9	-35.6	165.7	-143.1	0	0	0	0	119.1
32	G	48.9	Very low	56.3	Low	61 Å²	61	64.7 Å²	64.7	63%	0.629	44%	0.439	S	S	*	.	S	Bend	trans	-98.6	-9.7	-160.3	0	0	0	0	0	120.3	R30	R30-G32 VanDerWaalsContact C-N 3.28Å; R30-G32 PolarHBondContact O-N 3.47Å
33	L	58.8	Low	58.9	Low	41 Å²	41	62.1 Å²	62.1	22%	0.215	42%	0.417	C	S	.	.			trans	-108.6	7.3	-162.9	-61.6	177.8	0	0	0	116.1	L17 L29 G35 E36	L17-L33 HydrophobicContact CD1-CD2 4.44Å; L17-L33 HydrophobicContact CD2-CD2 3.84Å; L29-L33 HydrophobicContact CD1-CD1 4.37Å; L33-G35 PolarHBondContact O-N 3.35Å; L33-E36 PolarHBondContact O-N 2.83Å; L33-E36 VanDerWaalsContact O-N 3.11Å
34	D	65.3	Low	61.7	Low	74 Å²	74	58.4 Å²	58.4	40%	0.396	38%	0.38	S	S	.	.	B	Isolated β-bridge	trans	-61.8	117.6	-176.6	-148.1	-2.3	0	0	0	111.1	E36 K69	D34-E36 VanDerWaalsContact C-N 3.31Å; D34-E36 PolarHBondContact O-N 3.15Å; D34-K69 PolarHBondContact OD1-N 3.19Å; D34-K69 VanDerWaalsContact OD1-N 3.08Å; D34-K69 WeakPolarHBondContact OD2-CD 3.21Å; D34-K69 WeakPolarHBondContact OD2-CE 3.38Å; D34-K69 WeakPolarHBondContact OD2-CG 3.34Å; D34-K69 IonicContact OD2-NZ 2.69Å; D34-K69 PolarHBondContact OD2-NZ 3.33Å
35	G	66	Low	64.5	Low	14 Å²	14	55.3 Å²	55.3	14%	0.144	35%	0.354	C	S	.	.	T	Hydrogen-bonded Turn	trans	73.3	9.9	-177	0	0	0	0	0	116.4	L33 V67 E101	L33-G35 PolarHBondContact O-N 3.35Å; G35-V67 WeakPolarHBondContact CA-O 3.13Å; G35-V67 PolarHBondContact N-O 3.06Å; G35-E101 WeakPolarHBondContact O-CG 3.26Å
36	E	73.4	Confident	67.1	Low	27 Å²	27	52.6 Å²	52.6	13%	0.126	32%	0.323	C	S	.	.			trans	-88.1	146.6	170.6	-76.6	-69.1	155.9	0	0	112.1	K13 L17 L33 D34 I38 H66 V67 S102	K13-E36 IonicContact NZ-OE1 2.81Å; K13-E36 PolarHBondContact NZ-OE1 2.72Å; K13-E36 IonicContact NZ-OE2 3.87Å; K13-E36 PolarHBondContact NZ-OE2 2.94Å; L17-E36 HydrophobicContact CD1-CB 4.3Å; L33-E36 PolarHBondContact O-N 2.83Å; L33-E36 VanDerWaalsContact O-N 3.11Å; D34-E36 VanDerWaalsContact C-N 3.31Å; D34-E36 PolarHBondContact O-N 3.15Å; E36-I38 PolarHBondContact O-N 3.31Å; E36-H66 VanDerWaalsContact O-CA 3.26Å; E36-H66 WeakPolarHBondContact O-CA 3.49Å; E36-H66 VanDerWaalsContact O-CB 3.25Å; E36-H66 WeakPolarHBondContact O-CB 3.29Å; E36-V67 PolarHBondContact O-N 2.92Å; E36-S102 WeakPolarHBondContact OE1-CB 3.33Å; E36-S102 PolarHBondContact OE1-OG 3.28Å
37	I	77.6	Confident	69.4	Low	5 Å²	5	52 Å²	52	3%	0.026	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	111.5	-177.2	-57.7	179	0	0	0	108.9	A14 F39 P100	A14-I37 WeakPolarHBondContact CA-O 3.33Å; A14-I37 HydrophobicContact CB-CG2 4.26Å; A14-I37 WeakPolarHBondContact CB-O 3.49Å; I37-F39 VanDerWaalsContact CG2-O 3.24Å; I37-F39 WeakPolarHBondContact CG2-O 3.14Å; I37-P100 HydrophobicContact CD1-CG 3.74Å; I37-P100 HydrophobicContact CG1-CG 4.12Å
38	I	82.3	Confident	70.7	Confident	22 Å²	22	50.4 Å²	50.4	11%	0.113	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	-21.5	179.2	62.3	171.3	0	0	0	113	L17 E36 V65 V67 L77 V294	L17-I38 HydrophobicContact CD1-CG2 4.44Å; E36-I38 PolarHBondContact O-N 3.31Å; I38-V65 HydrophobicContact CG1-CB 4.49Å; I38-V65 HydrophobicContact CG1-CG1 4.39Å; I38-V65 PolarHBondContact N-O 3.46Å; I38-V67 HydrophobicContact CD1-CG2 4.06Å; I38-V67 HydrophobicContact CG2-CG2 3.94Å; I38-L77 HydrophobicContact CD1-CD1 4.37Å; I38-L77 HydrophobicContact CD1-CD2 3.49Å; I38-L77 VanDerWaalsContact CD1-CD2 3.49Å; I38-V294 HydrophobicContact CD1-CG1 3.58Å; I38-V294 HydrophobicContact CG1-CG1 4.26Å
39	F	87.4	Confident	71.2	Confident	9 Å²	9	52.2 Å²	52.2	4%	0.039	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	139.2	174.1	179.3	-87.8	0	0	0	110.4	I37 K41 L63 C64 V65 F283 G287 K290 L291 V294	I37-F39 VanDerWaalsContact CG2-O 3.24Å; I37-F39 WeakPolarHBondContact CG2-O 3.14Å; F39-K41 HydrophobicContact CE1-CB 3.58Å; F39-K41 HydrophobicContact CZ-CB 3.71Å; F39-L63 HydrophobicContact CE1-CD2 4.15Å; F39-C64 CarbonylContact O-C 3.55Å; F39-C64 WeakPolarHBondContact O-CA 3.44Å; F39-V65 HydrophobicContact CB-CB 4.11Å; F39-V65 HydrophobicContact CB-CG2 4.32Å; F39-V65 HydrophobicContact CD1-CG2 4.25Å; F39-V65 PolarHBondContact N-O 3.01Å; F39-V65 PolarHBondContact O-N 3.11Å; F39-F283 HydrophobicContact CE1-CE1 4.47Å; F39-F283 HydrophobicContact CZ-CE1 4.18Å; F39-G287 VanDerWaalsContact CE2-O 3.28Å; F39-G287 WeakPolarHBondContact CE2-O 3.35Å; F39-G287 VanDerWaalsContact CZ-O 3.32Å; F39-G287 WeakPolarHBondContact CZ-O 3.33Å; F39-K290 HydrophobicContact CD2-CB 4.44Å; F39-K290 HydrophobicContact CE2-CB 4.12Å; F39-L291 HydrophobicContact CB-CD1 4.4Å; F39-L291 HydrophobicContact CD1-CD1 3.9Å; F39-L291 HydrophobicContact CD2-CB 4.23Å; F39-L291 HydrophobicContact CD2-CD1 4.21Å; F39-L291 HydrophobicContact CE1-CB 4.38Å; F39-L291 HydrophobicContact CE1-CD1 4.19Å; F39-L291 HydrophobicContact CE1-CD2 4.14Å; F39-L291 HydrophobicContact CE1-CG 4.49Å; F39-L291 HydrophobicContact CE2-CB 3.79Å; F39-L291 HydrophobicContact CE2-CD1 4.47Å; F39-L291 HydrophobicContact CG-CD1 3.91Å; F39-L291 HydrophobicContact CZ-CB 3.88Å; F39-L291 HydrophobicContact CZ-CD1 4.47Å; F39-L291 HydrophobicContact CZ-CD2 4.32Å; F39-L291 HydrophobicContact CZ-CG 4.46Å; F39-V294 HydrophobicContact CB-CG2 4.45Å
40	S	87.8	Confident	71.5	Confident	11 Å²	11	56.3 Å²	56.3	8%	0.077	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	140.9	166.6	55.2	0	0	0	0	112.7	S11 Y62 L63	S11-S40 WeakPolarHBondContact CA-OG 3.44Å; S40-Y62 WeakPolarHBondContact CB-OH 3.5Å; S40-Y62 PolarHBondContact OG-OH 3.32Å; S40-L63 CarbonylContact C-O 3.59Å; S40-L63 VanDerWaalsContact CA-O 3.23Å; S40-L63 WeakPolarHBondContact CA-O 3.5Å
41	K	87.5	Confident	71.9	Confident	50 Å²	50	51.2 Å²	51.2	22%	0.217	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	124.7	-174.9	178.5	66.8	-171.6	-164.3	0	110.9	F39 V44 L63 F283 H285 A286	F39-K41 HydrophobicContact CE1-CB 3.58Å; F39-K41 HydrophobicContact CZ-CB 3.71Å; K41-V44 HydrophobicContact CB-CG2 3.92Å; K41-V44 HydrophobicContact CG-CG2 3.51Å; K41-L63 PolarHBondContact N-O 3.42Å; K41-L63 PolarHBondContact O-N 3.45Å; K41-F283 HydrophobicContact CG-CE1 4.29Å; K41-H285 PolarHBondContact NZ-O 2.92Å; K41-A286 WeakPolarHBondContact CE-O 3.46Å; K41-A286 PolarHBondContact NZ-O 3.37Å
42	N	86.3	Confident	71.8	Confident	56 Å²	56	51.2 Å²	51.2	30%	0.299	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	156	168.6	-164.6	19.8	0	0	0	111.3	V44 Y62 N84	N42-V44 VanDerWaalsContact C-N 3.34Å; N42-Y62 HydrophobicContact CB-CD2 3.65Å; N42-Y62 HydrophobicContact CB-CE2 3.98Å; N42-N84 PolarHBondContact OD1-ND2 2.89Å; N42-N84 PolarHBondContact OD1-OD1 3.39Å; N42-N84 VanDerWaalsContact OD1-OD1 3.12Å
43	N	87.4	Confident	71.3	Confident	79 Å²	79	52.6 Å²	52.6	42%	0.422	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	61.1	39.2	179.2	-54.8	-11.9	0	0	0	113	G61 N84	N43-G61 PolarHBondContact N-O 2.61Å; N43-N84 PolarHBondContact OD1-ND2 3.16Å
44	V	89.9	Confident	70.6	Confident	0 Å²	0	54.5 Å²	54.5	0%	0	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	124.2	157.9	-176.9	0	0	0	0	106.7	K41 N42 G61 L63 W81 L281 H282 F283	K41-V44 HydrophobicContact CB-CG2 3.92Å; K41-V44 HydrophobicContact CG-CG2 3.51Å; N42-V44 VanDerWaalsContact C-N 3.34Å; V44-G61 PolarHBondContact N-O 3.44Å; V44-G61 VanDerWaalsContact N-O 3.1Å; V44-G61 PolarHBondContact O-N 2.9Å; V44-L63 HydrophobicContact CB-CB 4.12Å; V44-L63 HydrophobicContact CG1-CD2 4.36Å; V44-L63 HydrophobicContact CG2-CB 3.73Å; V44-L63 HydrophobicContact CG2-CD2 4.1Å; V44-W81 PolarHBondContact O-NE1 2.69Å; V44-L281 HydrophobicContact CG1-CB 3.8Å; V44-L281 HydrophobicContact CG1-CD2 4.2Å; V44-H282 WeakPolarHBondContact CA-O 3.3Å; V44-F283 HydrophobicContact CG1-CD2 4.06Å; V44-F283 HydrophobicContact CG1-CE2 3.73Å; V44-F283 HydrophobicContact CG1-CZ 4.02Å; V44-F283 HydrophobicContact CG2-CD1 4.11Å; V44-F283 HydrophobicContact CG2-CE1 3.73Å; V44-F283 HydrophobicContact CG2-CE2 4.36Å; V44-F283 HydrophobicContact CG2-CZ 3.87Å
45	C	90.2	Very high	69.5	Low	7 Å²	7	57.6 Å²	57.6	5%	0.047	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	143.2	-170.3	-64.4	0	0	0	0	112.4	H58 H59 H282	C45-H58 HydrophobicContact CB-CB 4.3Å; C45-H59 VanDerWaalsContact CA-O 3.28Å; C45-H59 WeakPolarHBondContact CA-O 3.22Å; C45-H282 HydrophobicContact CB-CB 4.33Å; C45-H282 PolarHBondContact N-O 3.1Å; C45-H282 PolarHBondContact O-CD2 2.92Å; C45-H282 PolarHBondContact O-N 2.85Å
46	V	86	Confident	68.7	Low	11 Å²	11	60 Å²	60	7%	0.067	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	139	158.4	174.5	0	0	0	0	107.3	H59 W81 L281	V46-H59 PolarHBondContact N-O 3.23Å; V46-H59 WeakPolarHBondContact O-CB 3.35Å; V46-H59 PolarHBondContact O-N 3.36Å; V46-W81 HydrophobicContact CB-CH2 4.11Å; V46-W81 HydrophobicContact CB-CZ2 4.11Å; V46-W81 HydrophobicContact CG2-CD2 4.08Å; V46-W81 HydrophobicContact CG2-CE3 4.19Å; V46-W81 HydrophobicContact CG2-CH2 3.76Å; V46-W81 HydrophobicContact CG2-CZ2 3.64Å; V46-W81 HydrophobicContact CG2-CZ3 4.03Å; V46-L281 HydrophobicContact CG2-CD2 3.83Å
47	H	82.5	Confident	68.5	Low	78 Å²	78	62.6 Å²	62.6	36%	0.361	38%	0.377	S	S	.	.			trans	-109.7	145.5	172.7	-57.8	175.8	0	0	0	108.5	H58 H282 H284	H47-H58 AromaticContact CD2-ND1 3.36Å; H47-H58 PolarHBondContact CD2-ND1 3.48Å; H47-H58 AromaticContact NE2-CE1 3.62Å; H47-H58 AromaticContact NE2-ND1 3.78Å; H47-H282 AromaticContact CD2-CD2 3.57Å; H47-H282 AromaticContact CD2-CG 3.95Å; H47-H282 AromaticContact CE1-CE1 3.39Å; H47-H282 PolarHBondContact CE1-CE1 2.93Å; H47-H282 AromaticContact CE1-ND1 3.84Å; H47-H282 AromaticContact CE1-NE2 3.49Å; H47-H282 PolarHBondContact CE1-NE2 3.09Å; H47-H282 AromaticContact CG-CD2 3.6Å; H47-H282 AromaticContact CG-NE2 3.62Å; H47-H282 AromaticContact ND1-CD2 3.64Å; H47-H282 AromaticContact ND1-CE1 3.55Å; H47-H282 AromaticContact ND1-CG 3.83Å; H47-H282 AromaticContact ND1-ND1 3.77Å; H47-H282 AromaticContact ND1-NE2 3.47Å; H47-H282 PolarHBondContact ND1-NE2 3.15Å; H47-H282 AromaticContact NE2-CE1 3.77Å; H47-H282 AromaticContact NE2-CG 3.48Å; H47-H282 AromaticContact NE2-ND1 3.27Å; H47-H282 PolarHBondContact NE2-ND1 3.25Å; H47-H284 AromaticContact NE2-CE1 3.24Å; H47-H284 PolarHBondContact NE2-CE1 3.43Å; H47-H284 AromaticContact NE2-NE2 3.85Å
48	P	61.4	Low	68.6	Low	41 Å²	41	66.3 Å²	66.3	27%	0.266	39%	0.394	S	S	.	.			trans	-67.3	153.5	171.5	30.2	-34.8	0	0	0	110.7	E50 E57	P48-E50 VanDerWaalsContact C-N 3.25Å; P48-E50 PolarHBondContact O-N 3.28Å; P48-E57 VanDerWaalsContact CD-O 3.25Å; P48-E57 WeakPolarHBondContact CD-O 3.46Å; P48-E57 HydrophobicContact CG-CB 4.39Å
49	A	50.9	Low	68.7	Low	110 Å²	110	66.5 Å²	66.5	91%	0.909	39%	0.394	S	S	*	.	S	Bend	trans	-66.3	-28.2	-179.9	0	0	0	0	0	112.9
50	E	49.9	Very low	68.7	Low	170 Å²	170	68.7 Å²	68.7	79%	0.794	41%	0.41	S	S	*	.	S	Bend	trans	-118.4	117.7	169.3	-63.8	-172.1	154.8	0	0	108.7	P48	P48-E50 VanDerWaalsContact C-N 3.25Å; P48-E50 PolarHBondContact O-N 3.28Å
51	P	49.1	Very low	68.7	Low	93 Å²	93	68.2 Å²	68.2	60%	0.604	41%	0.406	S	S	*	.	P	Polyproline II helix	trans	-74.5	131.3	174.1	29.1	-32.6	0	0	0	110.6
52	L	39.8	Very low	68.8	Low	116 Å²	116	66 Å²	66	61%	0.607	40%	0.396	S	S	*	.	P	Polyproline II helix	trans	-63.4	151.1	170.9	-73.5	171.6	0	0	0	111	G54	L52-G54 PolarHBondContact O-N 2.87Å
53	P	38.2	Very low	69	Low	90 Å²	90	63.3 Å²	63.3	58%	0.584	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.4	126.1	-169.1	-17.7	33	0	0	0	111.9
54	G	43.9	Very low	69.1	Low	81 Å²	81	59.6 Å²	59.6	84%	0.835	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	99.7	-16.2	170.8	0	0	0	0	0	116.3	L52	L52-G54 PolarHBondContact O-N 2.87Å
55	L	41	Very low	69.1	Low	139 Å²	139	59.6 Å²	59.6	73%	0.728	36%	0.362	S	S	*	.	S	Bend	trans	-135.6	136.4	171	-85.7	94.2	0	0	0	112	E57	L55-E57 PolarHBondContact O-N 3.48Å; L55-E57 VanDerWaalsContact O-N 3.09Å
56	A	50.2	Low	68.9	Low	65 Å²	65	60.4 Å²	60.4	54%	0.537	37%	0.365	S	S	.	.			trans	-72.4	98	162.3	0	0	0	0	0	108.7	H58	A56-H58 VanDerWaalsContact C-N 3.29Å; A56-H58 PolarHBondContact O-N 3.48Å
57	E	68.3	Low	68.7	Low	81 Å²	81	60.5 Å²	60.5	38%	0.379	37%	0.366	S	S	.	.			trans	-74.4	81.1	-175	-155.4	-179.9	-153.2	0	0	111.5	P48 L55 H59	P48-E57 VanDerWaalsContact CD-O 3.25Å; P48-E57 WeakPolarHBondContact CD-O 3.46Å; P48-E57 HydrophobicContact CG-CB 4.39Å; L55-E57 PolarHBondContact O-N 3.48Å; L55-E57 VanDerWaalsContact O-N 3.09Å; E57-H59 VanDerWaalsContact CG-CE1 3.45Å; E57-H59 WeakPolarHBondContact CG-CE1 3.31Å; E57-H59 PolarHBondContact O-CE1 2.7Å; E57-H59 PolarHBondContact O-N 3.4Å; E57-H59 PolarHBondContact O-ND1 3.18Å; E57-H59 IonicContact OE2-CE1 3.3Å; E57-H59 IonicContact OE2-NE2 3.4Å
58	H	80.3	Confident	68.6	Low	83 Å²	83	60.4 Å²	60.4	38%	0.384	37%	0.366	S	S	.	.			trans	-74.1	118.9	175.7	-58.7	-44.1	0	0	0	110.2	C45 H47 A56 P60 H284	C45-H58 HydrophobicContact CB-CB 4.3Å; H47-H58 AromaticContact CD2-ND1 3.36Å; H47-H58 PolarHBondContact CD2-ND1 3.48Å; H47-H58 AromaticContact NE2-CE1 3.62Å; H47-H58 AromaticContact NE2-ND1 3.78Å; A56-H58 VanDerWaalsContact C-N 3.29Å; A56-H58 PolarHBondContact O-N 3.48Å; H58-P60 WeakPolarHBondContact O-CD 3.27Å; H58-H284 AromaticContact CD2-NE2 3.69Å; H58-H284 AromaticContact CE1-CE1 3.83Å; H58-H284 AromaticContact CE1-NE2 3.35Å; H58-H284 PolarHBondContact CE1-NE2 3.3Å; H58-H284 AromaticContact CG-NE2 3.59Å; H58-H284 AromaticContact ND1-NE2 3.37Å; H58-H284 PolarHBondContact ND1-NE2 2.89Å; H58-H284 AromaticContact NE2-NE2 3.51Å
59	H	84.4	Confident	69.1	Low	27 Å²	27	63.6 Å²	63.6	13%	0.125	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	97.6	175.1	-62.9	84.3	0	0	0	109.5	C45 V46 E57 W81 L238	C45-H59 VanDerWaalsContact CA-O 3.28Å; C45-H59 WeakPolarHBondContact CA-O 3.22Å; V46-H59 PolarHBondContact N-O 3.23Å; V46-H59 WeakPolarHBondContact O-CB 3.35Å; V46-H59 PolarHBondContact O-N 3.36Å; E57-H59 VanDerWaalsContact CG-CE1 3.45Å; E57-H59 WeakPolarHBondContact CG-CE1 3.31Å; E57-H59 PolarHBondContact O-CE1 2.7Å; E57-H59 PolarHBondContact O-N 3.4Å; E57-H59 PolarHBondContact O-ND1 3.18Å; E57-H59 IonicContact OE2-CE1 3.3Å; E57-H59 IonicContact OE2-NE2 3.4Å; H59-W81 WeakPolarHBondContact O-CZ2 3.44Å; H59-L238 VanDerWaalsContact NE2-CD1 3.34Å; H59-L238 WeakPolarHBondContact NE2-CD1 3.41Å
60	P	88.1	Confident	69.7	Low	55 Å²	55	60.7 Å²	60.7	36%	0.357	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	139.2	-176.7	31.6	-36.9	0	0	0	111.7	H58 N84	H58-P60 WeakPolarHBondContact O-CD 3.27Å; P60-N84 VanDerWaalsContact O-CB 3.31Å; P60-N84 WeakPolarHBondContact O-CB 3.29Å; P60-N84 PolarHBondContact O-N 2.86Å
61	G	87.8	Confident	69.9	Low	0 Å²	0	62.3 Å²	62.3	0%	0	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	171.9	171.6	0	0	0	0	0	113.3	N43 V44 V82 N84	N43-G61 PolarHBondContact N-O 2.61Å; V44-G61 PolarHBondContact N-O 3.44Å; V44-G61 VanDerWaalsContact N-O 3.1Å; V44-G61 PolarHBondContact O-N 2.9Å; G61-V82 CarbonylContact C-O 3.58Å; G61-V82 WeakPolarHBondContact CA-O 3.46Å; G61-N84 WeakPolarHBondContact CA-OD1 3.34Å
62	Y	88.5	Confident	70.1	Confident	3 Å²	3	63.6 Å²	63.6	1%	0.012	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	114.8	173.2	-162.7	-97.2	0	0	0	109.3	L7 S40 N42 V82 N84 I87 I98	L7-Y62 HydrophobicContact CB-CE2 3.98Å; L7-Y62 HydrophobicContact CD1-CD2 4.07Å; L7-Y62 HydrophobicContact CD1-CE2 4.14Å; L7-Y62 HydrophobicContact CD2-CD1 4.49Å; L7-Y62 HydrophobicContact CD2-CD2 3.9Å; L7-Y62 HydrophobicContact CD2-CE1 4.3Å; L7-Y62 HydrophobicContact CD2-CE2 3.72Å; L7-Y62 HydrophobicContact CD2-CG 4.28Å; L7-Y62 HydrophobicContact CG-CD2 4.43Å; L7-Y62 HydrophobicContact CG-CE2 4.14Å; L7-Y62 PolarHBondContact O-OH 3.3Å; S40-Y62 WeakPolarHBondContact CB-OH 3.5Å; S40-Y62 PolarHBondContact OG-OH 3.32Å; N42-Y62 HydrophobicContact CB-CD2 3.65Å; N42-Y62 HydrophobicContact CB-CE2 3.98Å; Y62-V82 PolarHBondContact N-O 3.37Å; Y62-V82 PolarHBondContact O-N 3.47Å; Y62-N84 PolarHBondContact N-OD1 2.68Å; Y62-I87 HydrophobicContact CG-CD1 4.44Å; Y62-I98 HydrophobicContact CD1-CB 3.89Å; Y62-I98 HydrophobicContact CD1-CG2 3.63Å; Y62-I98 HydrophobicContact CE1-CB 4.09Å; Y62-I98 HydrophobicContact CE1-CG2 4.31Å; Y62-I98 HydrophobicContact CG-CG2 4.44Å
63	L	91.3	Very high	70.8	Confident	0 Å²	0	60.6 Å²	60.6	0%	0	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	139.7	173	-170.5	67.8	0	0	0	110.1	F39 S40 K41 V44 L79 T80 W81 L281 F283 L291	F39-L63 HydrophobicContact CE1-CD2 4.15Å; S40-L63 CarbonylContact C-O 3.59Å; S40-L63 VanDerWaalsContact CA-O 3.23Å; S40-L63 WeakPolarHBondContact CA-O 3.5Å; K41-L63 PolarHBondContact N-O 3.42Å; K41-L63 PolarHBondContact O-N 3.45Å; V44-L63 HydrophobicContact CB-CB 4.12Å; V44-L63 HydrophobicContact CG1-CD2 4.36Å; V44-L63 HydrophobicContact CG2-CB 3.73Å; V44-L63 HydrophobicContact CG2-CD2 4.1Å; L63-L79 HydrophobicContact CD1-CD1 4.09Å; L63-L79 HydrophobicContact CD1-CD2 3.73Å; L63-L79 HydrophobicContact CD1-CG 3.77Å; L63-T80 CarbonylContact C-O 3.53Å; L63-W81 HydrophobicContact CD1-CB 3.86Å; L63-L281 HydrophobicContact CD1-CD1 3.92Å; L63-F283 HydrophobicContact CD2-CE1 4.31Å; L63-F283 HydrophobicContact CD2-CE2 4.28Å; L63-F283 HydrophobicContact CD2-CZ 3.49Å; L63-F283 VanDerWaalsContact CD2-CZ 3.49Å; L63-L291 HydrophobicContact CD2-CD2 4.02Å
64	C	90	Very high	72.2	Confident	1 Å²	1	57.5 Å²	57.5	1%	0.007	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	135.1	-179.1	178.4	0	0	0	0	108.7	F39 L79 T80	F39-C64 CarbonylContact O-C 3.55Å; F39-C64 WeakPolarHBondContact O-CA 3.44Å; C64-L79 WeakPolarHBondContact O-CA 3.43Å; C64-T80 PolarHBondContact N-O 3.09Å; C64-T80 PolarHBondContact O-N 2.81Å
65	V	89.3	Confident	73.5	Confident	0 Å²	0	55.1 Å²	55.1	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	129.8	168.4	-170.8	0	0	0	0	108.8	I38 F39 L77 I78 L79 L291	I38-V65 HydrophobicContact CG1-CB 4.49Å; I38-V65 HydrophobicContact CG1-CG1 4.39Å; I38-V65 PolarHBondContact N-O 3.46Å; F39-V65 HydrophobicContact CB-CB 4.11Å; F39-V65 HydrophobicContact CB-CG2 4.32Å; F39-V65 HydrophobicContact CD1-CG2 4.25Å; F39-V65 PolarHBondContact N-O 3.01Å; F39-V65 PolarHBondContact O-N 3.11Å; V65-L77 HydrophobicContact CG1-CB 4Å; V65-L77 HydrophobicContact CG1-CD1 4.21Å; V65-L77 HydrophobicContact CG1-CD2 4.32Å; V65-L77 HydrophobicContact CG1-CG 4.41Å; V65-I78 WeakPolarHBondContact CA-O 3.4Å; V65-L79 HydrophobicContact CG2-CB 4.38Å; V65-L79 HydrophobicContact CG2-CD1 4.23Å; V65-L79 HydrophobicContact CG2-CG 4.29Å; V65-L291 HydrophobicContact CG2-CD1 4.04Å
66	H	85.8	Confident	75.4	Confident	24 Å²	24	48.7 Å²	48.7	11%	0.111	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	153.2	178.6	51.2	-60	0	0	0	110.3	E36 I78	E36-H66 VanDerWaalsContact O-CA 3.26Å; E36-H66 WeakPolarHBondContact O-CA 3.49Å; E36-H66 VanDerWaalsContact O-CB 3.25Å; E36-H66 WeakPolarHBondContact O-CB 3.29Å; H66-I78 VanDerWaalsContact CE1-CB 3.44Å; H66-I78 WeakPolarHBondContact CE1-CB 3.39Å; H66-I78 WeakPolarHBondContact CE1-CG2 3.38Å; H66-I78 PolarHBondContact N-O 2.93Å; H66-I78 PolarHBondContact ND1-O 3.24Å; H66-I78 PolarHBondContact O-N 2.85Å
67	V	82.8	Confident	77.2	Confident	13 Å²	13	45.8 Å²	45.8	8%	0.079	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	135	171.5	-174.5	0	0	0	0	108.3	G35 E36 I38 T76 L77	G35-V67 WeakPolarHBondContact CA-O 3.13Å; G35-V67 PolarHBondContact N-O 3.06Å; E36-V67 PolarHBondContact O-N 2.92Å; I38-V67 HydrophobicContact CD1-CG2 4.06Å; I38-V67 HydrophobicContact CG2-CG2 3.94Å; V67-T76 WeakPolarHBondContact CA-O 3.31Å; V67-L77 HydrophobicContact CG2-CD2 3.88Å
68	E	79.7	Confident	78.1	Confident	77 Å²	77	42.2 Å²	42.2	36%	0.36	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	139.8	169	-170.6	154.9	-125.9	0	0	107.2	T76 I78 R246	E68-T76 HydrophobicContact CB-CG2 4.47Å; E68-T76 PolarHBondContact N-O 3.1Å; E68-T76 VanDerWaalsContact N-O 3.11Å; E68-T76 WeakPolarHBondContact O-CG2 2.8Å; E68-T76 PolarHBondContact O-N 2.89Å; E68-I78 HydrophobicContact CB-CD1 4.02Å; E68-I78 HydrophobicContact CB-CG1 3.47Å; E68-I78 VanDerWaalsContact CB-CG1 3.47Å; E68-I78 HydrophobicContact CG-CG1 4.3Å; E68-I78 WeakPolarHBondContact OE2-CD1 3.48Å; E68-I78 VanDerWaalsContact OE2-CG1 3.28Å; E68-I78 WeakPolarHBondContact OE2-CG1 3.47Å; E68-R246 IonicContact OE1-NH2 2.68Å; E68-R246 IonicContact OE2-CZ 2.66Å; E68-R246 IonicContact OE2-NH2 3.96Å; E68-R246 PolarHBondContact OE2-NH2 3.11Å
69	K	72.2	Confident	78.6	Confident	108 Å²	108	38.2 Å²	38.2	47%	0.47	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	117.1	171.6	-69.5	-171.9	-160	113.7	0	110.4	D34	D34-K69 PolarHBondContact OD1-N 3.19Å; D34-K69 VanDerWaalsContact OD1-N 3.08Å; D34-K69 WeakPolarHBondContact OD2-CD 3.21Å; D34-K69 WeakPolarHBondContact OD2-CE 3.38Å; D34-K69 WeakPolarHBondContact OD2-CG 3.34Å; D34-K69 IonicContact OD2-NZ 2.69Å; D34-K69 PolarHBondContact OD2-NZ 3.33Å
70	D	63.4	Low	78.9	Confident	48 Å²	48	37 Å²	37	26%	0.257	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	139.8	166.6	-176.7	-89.6	0	0	0	110	C72 L73 G74 T76	D70-C72 VanDerWaalsContact C-N 3.28Å; D70-C72 PolarHBondContact O-N 3.23Å; D70-C72 WeakPolarHBondContact OD1-CA 3.27Å; D70-C72 WeakPolarHBondContact OD1-CB 3.46Å; D70-C72 PolarHBondContact OD1-N 2.98Å; D70-L73 HydrophobicContact CB-CB 4.17Å; D70-L73 PolarHBondContact OD1-N 2.87Å; D70-G74 PolarHBondContact N-O 3.28Å; D70-G74 WeakPolarHBondContact O-CA 3.35Å; D70-G74 PolarHBondContact O-N 3.07Å; D70-G74 VanDerWaalsContact O-N 3.08Å; D70-T76 HydrophobicContact CB-CG2 4.38Å
71	E	55.1	Low	79	Confident	204 Å²	204	34.3 Å²	34.3	95%	0.953	19%	0.185	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.6	-16.7	-176.3	-62.9	-168.9	152.8	0	0	113.3
72	C	52.2	Low	79	Confident	120 Å²	120	34.3 Å²	34.3	81%	0.811	19%	0.185	S	C	*	.	T	Hydrogen-bonded Turn	trans	-107	-34.7	-178.4	-64.3	0	0	0	0	113	D70	D70-C72 VanDerWaalsContact C-N 3.28Å; D70-C72 PolarHBondContact O-N 3.23Å; D70-C72 WeakPolarHBondContact OD1-CA 3.27Å; D70-C72 WeakPolarHBondContact OD1-CB 3.46Å; D70-C72 PolarHBondContact OD1-N 2.98Å
73	L	54.3	Low	79	Confident	54 Å²	54	34.4 Å²	34.4	28%	0.283	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-105.3	-8.1	-175.1	-60.2	177.4	0	0	0	113.9	D70	D70-L73 HydrophobicContact CB-CB 4.17Å; D70-L73 PolarHBondContact OD1-N 2.87Å
74	G	67.6	Low	78.7	Confident	25 Å²	25	35.3 Å²	35.3	26%	0.258	19%	0.191	S	C	.	.	E	Extended strand (participates in β ladder)	trans	76.4	-143	-174.3	0	0	0	0	0	112.5	D70 T76	D70-G74 PolarHBondContact N-O 3.28Å; D70-G74 WeakPolarHBondContact O-CA 3.35Å; D70-G74 PolarHBondContact O-N 3.07Å; D70-G74 VanDerWaalsContact O-N 3.08Å; G74-T76 PolarHBondContact O-N 3.05Å
75	S	71.4	Confident	78.3	Confident	31 Å²	31	38 Å²	38	22%	0.217	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	108.5	-179	-59.4	0	0	0	0	112	W298	S75-W298 PolarHBondContact O-NE1 3.11Å
76	T	80.7	Confident	77.8	Confident	4 Å²	4	40.8 Å²	40.8	3%	0.025	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	170.2	176.6	-162.5	0	0	0	0	111.9	V67 E68 D70 G74 I78 D248 G250	V67-T76 WeakPolarHBondContact CA-O 3.31Å; E68-T76 HydrophobicContact CB-CG2 4.47Å; E68-T76 PolarHBondContact N-O 3.1Å; E68-T76 VanDerWaalsContact N-O 3.11Å; E68-T76 WeakPolarHBondContact O-CG2 2.8Å; E68-T76 PolarHBondContact O-N 2.89Å; D70-T76 HydrophobicContact CB-CG2 4.38Å; G74-T76 PolarHBondContact O-N 3.05Å; T76-I78 HydrophobicContact CG2-CD1 3.92Å; T76-D248 WeakPolarHBondContact CB-OD1 3.33Å; T76-D248 WeakPolarHBondContact CG2-OD1 3.34Å; T76-D248 PolarHBondContact OG1-OD1 3.2Å; T76-G250 VanDerWaalsContact OG1-CA 3.3Å; T76-G250 WeakPolarHBondContact OG1-CA 3.16Å; T76-G250 PolarHBondContact OG1-N 3.42Å
77	L	87.4	Confident	77.3	Confident	4 Å²	4	39.8 Å²	39.8	2%	0.021	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	123.8	175	-67.4	-172.3	0	0	0	110.8	I38 V65 V67 L249 V294 F295 W298	I38-L77 HydrophobicContact CD1-CD1 4.37Å; I38-L77 HydrophobicContact CD1-CD2 3.49Å; I38-L77 VanDerWaalsContact CD1-CD2 3.49Å; V65-L77 HydrophobicContact CG1-CB 4Å; V65-L77 HydrophobicContact CG1-CD1 4.21Å; V65-L77 HydrophobicContact CG1-CD2 4.32Å; V65-L77 HydrophobicContact CG1-CG 4.41Å; V67-L77 HydrophobicContact CG2-CD2 3.88Å; L77-L249 HydrophobicContact CB-CB 4.46Å; L77-L249 HydrophobicContact CB-CD1 4.13Å; L77-L249 WeakPolarHBondContact O-CB 3.42Å; L77-L249 WeakPolarHBondContact O-CG 3.45Å; L77-L249 PolarHBondContact O-N 3.47Å; L77-V294 HydrophobicContact CD1-CG1 4.09Å; L77-F295 HydrophobicContact CD1-CD1 3.82Å; L77-F295 HydrophobicContact CD1-CE1 4.08Å; L77-W298 HydrophobicContact CB-CD2 4.36Å; L77-W298 HydrophobicContact CB-CZ2 4.31Å; L77-W298 HydrophobicContact CD1-CB 3.8Å; L77-W298 HydrophobicContact CD1-CD2 3.59Å; L77-W298 HydrophobicContact CD1-CE3 3.81Å; L77-W298 HydrophobicContact CD1-CG 3.6Å; L77-W298 HydrophobicContact CG-CB 4.42Å; L77-W298 HydrophobicContact CG-CD2 3.68Å; L77-W298 HydrophobicContact CG-CE3 4.24Å; L77-W298 HydrophobicContact CG-CG 3.76Å; L77-W298 HydrophobicContact CG-CZ2 4.38Å
78	I	87.1	Confident	77	Confident	5 Å²	5	45.9 Å²	45.9	3%	0.026	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	119.3	174.2	-48.3	-60.7	0	0	0	109	V65 H66 E68 T76 R246 V247 D248	V65-I78 WeakPolarHBondContact CA-O 3.4Å; H66-I78 VanDerWaalsContact CE1-CB 3.44Å; H66-I78 WeakPolarHBondContact CE1-CB 3.39Å; H66-I78 WeakPolarHBondContact CE1-CG2 3.38Å; H66-I78 PolarHBondContact N-O 2.93Å; H66-I78 PolarHBondContact ND1-O 3.24Å; H66-I78 PolarHBondContact O-N 2.85Å; E68-I78 HydrophobicContact CB-CD1 4.02Å; E68-I78 HydrophobicContact CB-CG1 3.47Å; E68-I78 VanDerWaalsContact CB-CG1 3.47Å; E68-I78 HydrophobicContact CG-CG1 4.3Å; E68-I78 WeakPolarHBondContact OE2-CD1 3.48Å; E68-I78 VanDerWaalsContact OE2-CG1 3.28Å; E68-I78 WeakPolarHBondContact OE2-CG1 3.47Å; T76-I78 HydrophobicContact CG2-CD1 3.92Å; I78-R246 HydrophobicContact CG2-CG 3.86Å; I78-V247 WeakPolarHBondContact CA-O 3.48Å; I78-D248 HydrophobicContact CD1-CB 3.57Å
79	L	91.7	Very high	76.8	Confident	0 Å²	0	49.3 Å²	49.3	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	126.3	174.9	-179.6	149.4	0	0	0	109.2	L63 C64 V65 F245 R246 V247 L249 L269 I271 L281 F295	L63-L79 HydrophobicContact CD1-CD1 4.09Å; L63-L79 HydrophobicContact CD1-CD2 3.73Å; L63-L79 HydrophobicContact CD1-CG 3.77Å; C64-L79 WeakPolarHBondContact O-CA 3.43Å; V65-L79 HydrophobicContact CG2-CB 4.38Å; V65-L79 HydrophobicContact CG2-CD1 4.23Å; V65-L79 HydrophobicContact CG2-CG 4.29Å; L79-F245 HydrophobicContact CD2-CD1 4.02Å; L79-F245 HydrophobicContact CD2-CE1 3.87Å; L79-R246 WeakPolarHBondContact O-CA 3.23Å; L79-V247 HydrophobicContact CB-CG1 4.11Å; L79-V247 HydrophobicContact CD2-CG1 4.08Å; L79-V247 PolarHBondContact N-O 2.75Å; L79-V247 PolarHBondContact O-N 3.39Å; L79-L249 HydrophobicContact CB-CD1 4.09Å; L79-L249 HydrophobicContact CB-CD2 3.97Å; L79-L249 HydrophobicContact CB-CG 4.04Å; L79-L249 HydrophobicContact CD1-CD1 4.38Å; L79-L249 HydrophobicContact CD1-CD2 4.45Å; L79-L269 HydrophobicContact CD1-CD2 3.84Å; L79-I271 HydrophobicContact CD1-CD1 3.84Å; L79-I271 HydrophobicContact CD2-CD1 3.81Å; L79-I271 HydrophobicContact CG-CD1 4.43Å; L79-L281 HydrophobicContact CD2-CD1 4.05Å; L79-F295 HydrophobicContact CD1-CZ 4.31Å
80	T	90.1	Very high	76.7	Confident	0 Å²	0	51.4 Å²	51.4	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	126.9	172.2	-42.9	0	0	0	0	110.8	L63 C64 V82 Y97 V244 F245 R246	L63-T80 CarbonylContact C-O 3.53Å; C64-T80 PolarHBondContact N-O 3.09Å; C64-T80 PolarHBondContact O-N 2.81Å; T80-V82 HydrophobicContact CG2-CG2 4.01Å; T80-Y97 HydrophobicContact CG2-CD1 4.45Å; T80-Y97 HydrophobicContact CG2-CG 4.1Å; T80-V244 HydrophobicContact CG2-CG1 3.92Å; T80-F245 CarbonylContact C-O 3.45Å; T80-F245 VanDerWaalsContact CA-O 3.29Å; T80-F245 WeakPolarHBondContact CA-O 3.33Å; T80-R246 HydrophobicContact CG2-CB 3.98Å; T80-R246 HydrophobicContact CG2-CG 4.4Å
81	W	91.5	Very high	77.1	Confident	0 Å²	0	51 Å²	51	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	128.8	169.4	179.8	90	0	0	0	109.8	V44 V46 H59 L63 P83 C242 F245 L281	V44-W81 PolarHBondContact O-NE1 2.69Å; V46-W81 HydrophobicContact CB-CH2 4.11Å; V46-W81 HydrophobicContact CB-CZ2 4.11Å; V46-W81 HydrophobicContact CG2-CD2 4.08Å; V46-W81 HydrophobicContact CG2-CE3 4.19Å; V46-W81 HydrophobicContact CG2-CH2 3.76Å; V46-W81 HydrophobicContact CG2-CZ2 3.64Å; V46-W81 HydrophobicContact CG2-CZ3 4.03Å; H59-W81 WeakPolarHBondContact O-CZ2 3.44Å; L63-W81 HydrophobicContact CD1-CB 3.86Å; W81-P83 HydrophobicContact CE3-CG 4.43Å; W81-P83 HydrophobicContact CH2-CB 4.19Å; W81-P83 HydrophobicContact CH2-CG 3.93Å; W81-P83 HydrophobicContact CZ3-CB 4.39Å; W81-P83 HydrophobicContact CZ3-CG 3.65Å; W81-C242 HydrophobicContact CH2-CB 4.13Å; W81-C242 HydrophobicContact CZ3-CB 4.26Å; W81-F245 HydrophobicContact CB-CB 4.42Å; W81-F245 HydrophobicContact CE3-CB 4.48Å; W81-F245 PolarHBondContact N-O 3.3Å; W81-F245 PolarHBondContact O-N 3.33Å; W81-L281 HydrophobicContact CB-CD2 4.24Å; W81-L281 HydrophobicContact CD2-CD2 4.35Å; W81-L281 HydrophobicContact CG-CD2 3.83Å
82	V	87.3	Confident	77.7	Confident	0 Å²	0	47.6 Å²	47.6	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	124.8	-176.8	-177.3	0	0	0	0	109.6	G61 Y62 T80 N84 I87 A94 I98 V244	G61-V82 CarbonylContact C-O 3.58Å; G61-V82 WeakPolarHBondContact CA-O 3.46Å; Y62-V82 PolarHBondContact N-O 3.37Å; Y62-V82 PolarHBondContact O-N 3.47Å; T80-V82 HydrophobicContact CG2-CG2 4.01Å; V82-N84 PolarHBondContact O-N 2.96Å; V82-I87 HydrophobicContact CB-CD1 4.08Å; V82-I87 HydrophobicContact CB-CG1 4.34Å; V82-I87 HydrophobicContact CG1-CD1 3.84Å; V82-I87 HydrophobicContact CG1-CG1 3.55Å; V82-A94 HydrophobicContact CG1-CB 3.74Å; V82-I98 HydrophobicContact CB-CG2 4.19Å; V82-I98 HydrophobicContact CG2-CG2 3.79Å; V82-V244 HydrophobicContact CG1-CG2 4.27Å; V82-V244 HydrophobicContact CG2-CG1 4.16Å
83	P	87.5	Confident	78.6	Confident	5 Å²	5	47.4 Å²	47.4	3%	0.032	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.2	136.3	177.7	-19.9	26.5	0	0	0	112.7	W81 S85 R86 I87 C242	W81-P83 HydrophobicContact CE3-CG 4.43Å; W81-P83 HydrophobicContact CH2-CB 4.19Å; W81-P83 HydrophobicContact CH2-CG 3.93Å; W81-P83 HydrophobicContact CZ3-CB 4.39Å; W81-P83 HydrophobicContact CZ3-CG 3.65Å; P83-S85 PolarHBondContact O-N 2.71Å; P83-S85 VanDerWaalsContact O-N 3.16Å; P83-R86 HydrophobicContact CB-CG 4.5Å; P83-R86 HydrophobicContact CG-CG 4.44Å; P83-R86 PolarHBondContact O-N 3.11Å; P83-R86 VanDerWaalsContact O-N 3.1Å; P83-I87 WeakPolarHBondContact O-CG1 3.41Å; P83-I87 PolarHBondContact O-N 3.29Å; P83-C242 WeakPolarHBondContact CG-O 3.28Å
84	N	84.9	Confident	79.3	Confident	18 Å²	18	44.9 Å²	44.9	10%	0.096	22%	0.221	C	C	.	.	H	α-helix	trans	-62.7	-26.2	179	-77.8	-9.3	0	0	0	112.6	N42 N43 P60 G61 Y62 V82 I87 Q88	N42-N84 PolarHBondContact OD1-ND2 2.89Å; N42-N84 PolarHBondContact OD1-OD1 3.39Å; N42-N84 VanDerWaalsContact OD1-OD1 3.12Å; N43-N84 PolarHBondContact OD1-ND2 3.16Å; P60-N84 VanDerWaalsContact O-CB 3.31Å; P60-N84 WeakPolarHBondContact O-CB 3.29Å; P60-N84 PolarHBondContact O-N 2.86Å; G61-N84 WeakPolarHBondContact CA-OD1 3.34Å; Y62-N84 PolarHBondContact N-OD1 2.68Å; V82-N84 PolarHBondContact O-N 2.96Å; N84-I87 PolarHBondContact O-N 3.12Å; N84-Q88 WeakPolarHBondContact O-CB 3.45Å; N84-Q88 WeakPolarHBondContact O-CG 3.45Å; N84-Q88 PolarHBondContact O-N 2.89Å
85	S	81.6	Confident	79.4	Confident	59 Å²	59	45.8 Å²	45.8	41%	0.413	22%	0.219	S	C	.	.	H	α-helix	trans	-61.7	-44.3	172.7	53.9	0	0	0	0	113.2	P83 Q88 R89	P83-S85 PolarHBondContact O-N 2.71Å; P83-S85 VanDerWaalsContact O-N 3.16Å; S85-Q88 PolarHBondContact O-N 3.31Å; S85-R89 VanDerWaalsContact O-CG 3.31Å; S85-R89 WeakPolarHBondContact O-CG 3.07Å; S85-R89 PolarHBondContact O-N 3.03Å
86	R	79	Confident	79.4	Confident	57 Å²	57	49.8 Å²	49.8	22%	0.215	23%	0.229	C	C	.	.	H	α-helix	trans	-64.3	-41.6	174.8	-73.3	-175.3	175.3	-102.4	1.9	111.5	P83 R89 Q90 D91 A94	P83-R86 HydrophobicContact CB-CG 4.5Å; P83-R86 HydrophobicContact CG-CG 4.44Å; P83-R86 PolarHBondContact O-N 3.11Å; P83-R86 VanDerWaalsContact O-N 3.1Å; R86-R89 PolarHBondContact O-N 3.44Å; R86-Q90 PolarHBondContact O-N 3.46Å; R86-D91 HydrophobicContact CB-CB 4.16Å; R86-D91 IonicContact CZ-OD2 2.98Å; R86-D91 IonicContact NH1-OD2 3.85Å; R86-D91 PolarHBondContact NH1-OD2 3.14Å; R86-D91 WeakPolarHBondContact O-CB 3.35Å; R86-D91 PolarHBondContact O-N 3.47Å; R86-D91 VanDerWaalsContact O-N 3.16Å; R86-A94 HydrophobicContact CB-CB 4.04Å
87	I	76.3	Confident	78.9	Confident	3 Å²	3	53 Å²	53	2%	0.015	24%	0.242	C	C	.	.	H	α-helix	trans	-65.5	-40.7	178.6	-55.2	173.4	0	0	0	111	L3 Y62 V82 P83 N84 Q90 L95 I98	L3-I87 HydrophobicContact CD1-CG2 3.33Å; L3-I87 HydrophobicContact CD2-CG2 3.61Å; L3-I87 HydrophobicContact CG-CG2 4.09Å; Y62-I87 HydrophobicContact CG-CD1 4.44Å; V82-I87 HydrophobicContact CB-CD1 4.08Å; V82-I87 HydrophobicContact CB-CG1 4.34Å; V82-I87 HydrophobicContact CG1-CD1 3.84Å; V82-I87 HydrophobicContact CG1-CG1 3.55Å; P83-I87 WeakPolarHBondContact O-CG1 3.41Å; P83-I87 PolarHBondContact O-N 3.29Å; N84-I87 PolarHBondContact O-N 3.12Å; I87-Q90 PolarHBondContact O-N 3.48Å; I87-L95 HydrophobicContact CG2-CD2 4.1Å; I87-I98 HydrophobicContact CD1-CD1 3.99Å; I87-I98 HydrophobicContact CG1-CD1 4.18Å; I87-I98 HydrophobicContact CG2-CD1 3.93Å
88	Q	75.8	Confident	78	Confident	141 Å²	141	52.8 Å²	52.8	66%	0.659	24%	0.241	S	C	*	.	H	α-helix	trans	-63.9	-40.8	174.3	-76	166.5	-5.9	0	0	112.3	N84 S85 Q90	N84-Q88 WeakPolarHBondContact O-CB 3.45Å; N84-Q88 WeakPolarHBondContact O-CG 3.45Å; N84-Q88 PolarHBondContact O-N 2.89Å; S85-Q88 PolarHBondContact O-N 3.31Å; Q88-Q90 PolarHBondContact O-N 3.23Å
89	R	76.8	Confident	76.9	Confident	150 Å²	150	53.1 Å²	53.1	57%	0.566	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.4	-4	173.7	-70.7	176.3	-176.1	175.2	5	114.1	S85 R86 D91 E239	S85-R89 VanDerWaalsContact O-CG 3.31Å; S85-R89 WeakPolarHBondContact O-CG 3.07Å; S85-R89 PolarHBondContact O-N 3.03Å; R86-R89 PolarHBondContact O-N 3.44Å; R89-D91 VanDerWaalsContact C-N 3.27Å; R89-D91 PolarHBondContact O-N 2.73Å; R89-E239 IonicContact CZ-OE1 3.63Å; R89-E239 IonicContact NH1-OE1 3.66Å; R89-E239 PolarHBondContact NH1-OE1 3.46Å; R89-E239 IonicContact NH2-OE1 3.2Å
90	Q	68.4	Low	75.5	Confident	152 Å²	152	53.8 Å²	53.8	71%	0.71	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.6	37.5	-175.9	-55.4	-175.4	38.9	0	0	113.5	R86 I87 Q88 E92 L95	R86-Q90 PolarHBondContact O-N 3.46Å; I87-Q90 PolarHBondContact O-N 3.48Å; Q88-Q90 PolarHBondContact O-N 3.23Å; Q90-E92 PolarHBondContact O-N 2.96Å; Q90-L95 HydrophobicContact CB-CD1 4.28Å
91	D	71.9	Confident	73.9	Confident	38 Å²	38	58.4 Å²	58.4	20%	0.203	27%	0.269	C	S	.	.			trans	-52.4	109.8	171.7	172.8	-18.8	0	0	0	109.9	R86 R89 E93 A94 L95	R86-D91 HydrophobicContact CB-CB 4.16Å; R86-D91 IonicContact CZ-OD2 2.98Å; R86-D91 IonicContact NH1-OD2 3.85Å; R86-D91 PolarHBondContact NH1-OD2 3.14Å; R86-D91 WeakPolarHBondContact O-CB 3.35Å; R86-D91 PolarHBondContact O-N 3.47Å; R86-D91 VanDerWaalsContact O-N 3.16Å; R89-D91 VanDerWaalsContact C-N 3.27Å; R89-D91 PolarHBondContact O-N 2.73Å; D91-E93 PolarHBondContact O-N 3.41Å; D91-E93 WeakPolarHBondContact OD1-CB 3.45Å; D91-E93 PolarHBondContact OD1-N 3.48Å; D91-A94 HydrophobicContact CB-CB 3.71Å; D91-A94 VanDerWaalsContact CG-CB 3.4Å; D91-A94 PolarHBondContact O-N 3.3Å; D91-A94 PolarHBondContact OD1-N 2.87Å; D91-L95 WeakPolarHBondContact O-CB 3.22Å; D91-L95 VanDerWaalsContact O-CG 3.27Å; D91-L95 WeakPolarHBondContact O-CG 3.34Å; D91-L95 PolarHBondContact O-N 3.33Å
92	E	68.7	Low	72	Confident	134 Å²	134	61.2 Å²	61.2	63%	0.626	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.4	-22.5	-174	-110.4	-152.1	-145.4	0	0	113.3	Q90 R96	Q90-E92 PolarHBondContact O-N 2.96Å; E92-R96 WeakPolarHBondContact O-CD 3.45Å; E92-R96 VanDerWaalsContact O-CG 3.29Å; E92-R96 WeakPolarHBondContact O-CG 3.38Å; E92-R96 PolarHBondContact O-NE 3.08Å; E92-R96 IonicContact OE2-NH2 3.62Å; E92-R96 PolarHBondContact OE2-NH2 3.29Å
93	E	70.3	Confident	70.3	Confident	116 Å²	116	62.3 Å²	62.3	54%	0.542	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85	-49.6	177.5	-167.3	172.1	166	0	0	109.9	D91 L95 R96 Y97	D91-E93 PolarHBondContact O-N 3.41Å; D91-E93 WeakPolarHBondContact OD1-CB 3.45Å; D91-E93 PolarHBondContact OD1-N 3.48Å; E93-L95 VanDerWaalsContact C-N 3.26Å; E93-L95 PolarHBondContact O-N 3.32Å; E93-R96 WeakPolarHBondContact O-CB 3.36Å; E93-R96 PolarHBondContact O-N 2.86Å; E93-Y97 HydrophobicContact CG-CE2 4.12Å; E93-Y97 VanDerWaalsContact O-CD2 3.32Å; E93-Y97 WeakPolarHBondContact O-CD2 3.33Å; E93-Y97 WeakPolarHBondContact O-CE2 3.4Å
94	A	69.9	Low	68	Low	1 Å²	1	66.4 Å²	66.4	1%	0.008	32%	0.323	C	S	.	.	H	α-helix	trans	-53.4	-41.2	173.2	0	0	0	0	0	112.8	V82 R86 D91 R96 Y97 V244	V82-A94 HydrophobicContact CG1-CB 3.74Å; R86-A94 HydrophobicContact CB-CB 4.04Å; D91-A94 HydrophobicContact CB-CB 3.71Å; D91-A94 VanDerWaalsContact CG-CB 3.4Å; D91-A94 PolarHBondContact O-N 3.3Å; D91-A94 PolarHBondContact OD1-N 2.87Å; A94-R96 VanDerWaalsContact C-N 3.25Å; A94-R96 PolarHBondContact O-N 3.09Å; A94-Y97 PolarHBondContact O-N 3.02Å; A94-V244 HydrophobicContact CB-CG2 4.46Å
95	L	69.8	Low	66.2	Low	44 Å²	44	69.1 Å²	69.1	23%	0.23	34%	0.34	C	S	.	.	H	α-helix	trans	-65.9	-21.8	178.7	-72.2	176.1	0	0	0	113.9	I87 Q90 D91 E93 I98 T99	I87-L95 HydrophobicContact CG2-CD2 4.1Å; Q90-L95 HydrophobicContact CB-CD1 4.28Å; D91-L95 WeakPolarHBondContact O-CB 3.22Å; D91-L95 VanDerWaalsContact O-CG 3.27Å; D91-L95 WeakPolarHBondContact O-CG 3.34Å; D91-L95 PolarHBondContact O-N 3.33Å; E93-L95 VanDerWaalsContact C-N 3.26Å; E93-L95 PolarHBondContact O-N 3.32Å; L95-I98 HydrophobicContact CD2-CD1 3.88Å; L95-I98 HydrophobicContact CD2-CG1 4.46Å; L95-T99 WeakPolarHBondContact O-CB 3.47Å; L95-T99 PolarHBondContact O-OG1 3.37Å
96	R	70.9	Confident	64.6	Low	114 Å²	114	71.3 Å²	71.3	43%	0.43	34%	0.339	S	S	.	.	H	α-helix	trans	-71.1	-31.1	177.5	-67.6	161.2	-162.4	-170.3	0.7	112.1	E92 E93 A94	E92-R96 WeakPolarHBondContact O-CD 3.45Å; E92-R96 VanDerWaalsContact O-CG 3.29Å; E92-R96 WeakPolarHBondContact O-CG 3.38Å; E92-R96 PolarHBondContact O-NE 3.08Å; E92-R96 IonicContact OE2-NH2 3.62Å; E92-R96 PolarHBondContact OE2-NH2 3.29Å; E93-R96 WeakPolarHBondContact O-CB 3.36Å; E93-R96 PolarHBondContact O-N 2.86Å; A94-R96 VanDerWaalsContact C-N 3.25Å; A94-R96 PolarHBondContact O-N 3.09Å
97	Y	69.4	Low	62.8	Low	71 Å²	71	77.9 Å²	77.9	28%	0.278	36%	0.364	S	S	.	.	H	α-helix	trans	-80.4	-16.5	-177.6	-58.8	-68	0	0	0	114.6	T80 E93 A94 V244	T80-Y97 HydrophobicContact CG2-CD1 4.45Å; T80-Y97 HydrophobicContact CG2-CG 4.1Å; E93-Y97 HydrophobicContact CG-CE2 4.12Å; E93-Y97 VanDerWaalsContact O-CD2 3.32Å; E93-Y97 WeakPolarHBondContact O-CD2 3.33Å; E93-Y97 WeakPolarHBondContact O-CE2 3.4Å; A94-Y97 PolarHBondContact O-N 3.02Å; Y97-V244 HydrophobicContact CD2-CG1 4.04Å; Y97-V244 HydrophobicContact CE2-CG1 4.21Å
98	I	68.3	Low	61	Low	0 Å²	0	83.9 Å²	83.9	0%	0	40%	0.396	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.1	10.4	179.5	71	177.3	0	0	0	112.8	L7 Y62 V82 I87 L95	L7-I98 HydrophobicContact CD2-CD1 3.83Å; Y62-I98 HydrophobicContact CD1-CB 3.89Å; Y62-I98 HydrophobicContact CD1-CG2 3.63Å; Y62-I98 HydrophobicContact CE1-CB 4.09Å; Y62-I98 HydrophobicContact CE1-CG2 4.31Å; Y62-I98 HydrophobicContact CG-CG2 4.44Å; V82-I98 HydrophobicContact CB-CG2 4.19Å; V82-I98 HydrophobicContact CG2-CG2 3.79Å; I87-I98 HydrophobicContact CD1-CD1 3.99Å; I87-I98 HydrophobicContact CG1-CD1 4.18Å; I87-I98 HydrophobicContact CG2-CD1 3.93Å; L95-I98 HydrophobicContact CD2-CD1 3.88Å; L95-I98 HydrophobicContact CD2-CG1 4.46Å
99	T	65.2	Low	59.1	Low	13 Å²	13	80.7 Å²	80.7	8%	0.08	39%	0.394	C	S	.	.	S	Bend	trans	-124.5	119.9	-173.8	-59.9	0	0	0	0	110.1	L95 S103 V105	L95-T99 WeakPolarHBondContact O-CB 3.47Å; L95-T99 PolarHBondContact O-OG1 3.37Å; T99-S103 WeakPolarHBondContact CG2-OG 3.48Å; T99-V105 HydrophobicContact CG2-CB 4.43Å
100	P	61.3	Low	57.1	Low	14 Å²	14	85 Å²	85	9%	0.091	41%	0.41	C	S	.	.			trans	-55	149.3	-178.6	-25.8	32.2	0	0	0	114.1	K13 I37 S102 S103	K13-P100 HydrophobicContact CD-CG 4.31Å; I37-P100 HydrophobicContact CD1-CG 3.74Å; I37-P100 HydrophobicContact CG1-CG 4.12Å; P100-S102 PolarHBondContact O-N 3.45Å; P100-S103 WeakPolarHBondContact O-CB 3.33Å; P100-S103 PolarHBondContact O-N 3.05Å
101	E	57.1	Low	55.5	Low	97 Å²	97	88.7 Å²	88.7	45%	0.453	42%	0.417	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.8	-41.3	173.5	-78.5	-75.5	123.1	0	0	112.8	G35 S103 R106	G35-E101 WeakPolarHBondContact O-CG 3.26Å; E101-S103 PolarHBondContact O-N 3.29Å; E101-S103 VanDerWaalsContact O-N 3.15Å; E101-R106 IonicContact OE1-CZ 3.57Å; E101-R106 IonicContact OE1-NE 2.82Å; E101-R106 IonicContact OE1-NH1 2.68Å; E101-R106 PolarHBondContact OE1-NH1 3.42Å; E101-R106 IonicContact OE1-NH2 3.74Å; E101-R106 PolarHBondContact OE1-NH2 2.89Å
102	S	52.4	Low	53.6	Low	59 Å²	59	98.7 Å²	98.7	41%	0.413	45%	0.452	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-5	177.5	57.5	0	0	0	0	115.2	K13 E36 P100	K13-S102 PolarHBondContact NZ-OG 3.15Å; E36-S102 WeakPolarHBondContact OE1-CB 3.33Å; E36-S102 PolarHBondContact OE1-OG 3.28Å; P100-S102 PolarHBondContact O-N 3.45Å
103	S	50.3	Low	51.7	Low	22 Å²	22	96 Å²	96	15%	0.154	46%	0.46	C	S	.	.			trans	-71.5	130.7	-177.4	-176.8	0	0	0	0	112.5	T99 P100 E101 V105 R106	T99-S103 WeakPolarHBondContact CG2-OG 3.48Å; P100-S103 WeakPolarHBondContact O-CB 3.33Å; P100-S103 PolarHBondContact O-N 3.05Å; E101-S103 PolarHBondContact O-N 3.29Å; E101-S103 VanDerWaalsContact O-N 3.15Å; S103-V105 PolarHBondContact O-N 2.91Å; S103-V105 PolarHBondContact OG-N 3.48Å; S103-R106 PolarHBondContact O-N 3.22Å
104	P	40.7	Very low	49.9	Very low	92 Å²	92	102.3 Å²	102.3	60%	0.597	48%	0.479	S	S	*	.	H	α-helix	trans	-62.7	-17.7	176.5	26.4	-34.7	0	0	0	113.3	R106 R107	P104-R106 VanDerWaalsContact C-N 3.33Å; P104-R106 PolarHBondContact O-N 2.9Å; P104-R107 PolarHBondContact O-N 3.21Å
105	V	46.7	Very low	48	Very low	75 Å²	75	113.7 Å²	113.7	46%	0.455	52%	0.522	S	S	.	.	H	α-helix	trans	-60.7	-42.2	173.6	-177.3	0	0	0	0	111	M1 T99 S103	M1-V105 HydrophobicContact CE-CG2 4.31Å; T99-V105 HydrophobicContact CG2-CB 4.43Å; S103-V105 PolarHBondContact O-N 2.91Å; S103-V105 PolarHBondContact OG-N 3.48Å
106	R	47.5	Very low	46	Very low	104 Å²	104	117.5 Å²	117.5	39%	0.392	55%	0.55	S	S	.	.	H	α-helix	trans	-74.3	-29.6	-175.7	-148.4	169.9	-174.9	-178.3	-12.4	112.3	E101 S103 P104	E101-R106 IonicContact OE1-CZ 3.57Å; E101-R106 IonicContact OE1-NE 2.82Å; E101-R106 IonicContact OE1-NH1 2.68Å; E101-R106 PolarHBondContact OE1-NH1 3.42Å; E101-R106 IonicContact OE1-NH2 3.74Å; E101-R106 PolarHBondContact OE1-NH2 2.89Å; S103-R106 PolarHBondContact O-N 3.22Å; P104-R106 VanDerWaalsContact C-N 3.33Å; P104-R106 PolarHBondContact O-N 2.9Å
107	R	41.3	Very low	44.1	Very low	196 Å²	196	124 Å²	124	74%	0.74	57%	0.574	S	S	*	*	H	α-helix	trans	-68.4	-34.3	177.1	-73.6	-174.6	173.4	179.1	-1.5	113.8	P104	P104-R107 PolarHBondContact O-N 3.21Å
108	N	38.2	Very low	42.2	Very low	129 Å²	129	126.4 Å²	126.4	69%	0.69	60%	0.602	S	S	*	*	H	α-helix	trans	-77.6	-21.4	-172	-74.4	-10.1	0	0	0	114.5	R110 R111	N108-R110 VanDerWaalsContact C-N 3.25Å; N108-R110 PolarHBondContact O-N 3.24Å; N108-R111 PolarHBondContact O-N 2.86Å
109	A	37	Very low	40.3	Very low	74 Å²	74	137.7 Å²	137.7	61%	0.612	64%	0.644	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.8	-25.9	-177.2	0	0	0	0	0	114.2	R111	A109-R111 VanDerWaalsContact C-N 3.33Å; A109-R111 PolarHBondContact O-N 3.49Å
110	R	34.3	Very low	39.1	Very low	240 Å²	240	142.3 Å²	142.3	91%	0.906	67%	0.674	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.7	9.6	-176.7	-72.2	-171.5	174.4	-177.3	-0.1	115.2	N108	N108-R110 VanDerWaalsContact C-N 3.25Å; N108-R110 PolarHBondContact O-N 3.24Å
111	R	33.9	Very low	37.7	Very low	229 Å²	229	148 Å²	148	86%	0.864	71%	0.711	S	S	*	*			trans	-131.3	65.2	-179.3	-75.2	-167.1	172.7	-163.6	-0.4	115.3	N108 A109	N108-R111 PolarHBondContact O-N 2.86Å; A109-R111 VanDerWaalsContact C-N 3.33Å; A109-R111 PolarHBondContact O-N 3.49Å
112	R	33.1	Very low	36.2	Very low	249 Å²	249	148.2 Å²	148.2	94%	0.94	73%	0.73	S	S	*	*			trans	-129.4	71.7	154.9	-82.7	-170.3	167.6	-179.6	-3.6	111.6
113	G	29	Very low	35	Very low	77 Å²	77	150.5 Å²	150.5	79%	0.794	75%	0.752	S	S	*	*			trans	-69.7	140	168.3	0	0	0	0	0	111.4
114	R	32	Very low	33.8	Very low	249 Å²	249	154 Å²	154	94%	0.94	78%	0.782	S	S	*	*			trans	-62.7	142.3	179.3	-69.6	175	169.8	175.8	-4.3	112
115	R	28.6	Very low	34.2	Very low	239 Å²	239	154.3 Å²	154.3	90%	0.902	78%	0.784	S	S	*	*			trans	-128.8	149.8	148.4	-85.2	-168.9	170	-166.7	-3.1	109.5
116	P	29.6	Very low	33.2	Very low	125 Å²	125	158.1 Å²	158.1	81%	0.812	80%	0.797	S	S	*	*			trans	-82.6	165.2	-166.1	33	-36.7	0	0	0	114.2
117	R	31.1	Very low	32.2	Very low	249 Å²	249	160.5 Å²	160.5	94%	0.94	81%	0.813	S	S	*	*			trans	-72.9	148.3	173.7	-75.9	171.4	153.3	176.7	-8.4	112.5
118	S	28.2	Very low	31.4	Very low	123 Å²	123	158.5 Å²	158.5	86%	0.86	81%	0.812	S	S	*	*			trans	-130.6	166.9	150.8	50.9	0	0	0	0	109.4
119	R	28.4	Very low	30.9	Very low	237 Å²	237	160.1 Å²	160.1	89%	0.894	82%	0.815	S	S	*	*			trans	-97.3	161.6	-169.4	-90.9	179.2	79.8	172.5	3.8	113.4
120	P	40.2	Very low	30.3	Very low	109 Å²	109	163.1 Å²	163.1	71%	0.708	82%	0.821	S	S	*	*			trans	-87.7	177.8	-174.4	38.6	-39.3	0	0	0	113.2
121	P	31.6	Very low	30	Very low	133 Å²	133	158.5 Å²	158.5	86%	0.864	81%	0.814	S	S	*	*				-120.5	-179.9	123.3	37.3	-33	0	0	0	112.2
122	A	26.7	Very low	29.8	Very low	103 Å²	103	154.9 Å²	154.9	85%	0.851	81%	0.807	S	S	*	*			trans	-132.8	152.9	-173	0	0	0	0	0	112.4
123	A	25.9	Very low	29.6	Very low	106 Å²	106	147.2 Å²	147.2	88%	0.876	79%	0.791	S	S	*	*			trans	-167	160.6	157.7	0	0	0	0	0	110.3
124	A	26.4	Very low	29.7	Very low	95 Å²	95	151 Å²	151	79%	0.785	79%	0.789	S	S	*	*			trans	-158.9	175.9	168.9	0	0	0	0	0	106.6
125	P	49	Very low	29.7	Very low	99 Å²	99	146.1 Å²	146.1	64%	0.643	78%	0.776	S	S	*	*			cis	-126.7	-143.2	-4.6	26.2	0.4	0	0	0	110.8
126	E	25.5	Very low	29.7	Very low	156 Å²	156	142.5 Å²	142.5	73%	0.729	77%	0.77	S	S	*	*			trans	70.5	145.5	158.9	-65.4	147.4	-156.9	0	0	116.7
127	E	25.7	Very low	29.7	Very low	154 Å²	154	141.8 Å²	141.8	72%	0.72	76%	0.763	S	S	*	*			cis	-161	169.2	-12	-120.4	164.6	-175.9	0	0	111.1
128	E	24.8	Very low	29.7	Very low	154 Å²	154	137.1 Å²	137.1	72%	0.72	76%	0.756	S	S	*	*			trans	57.4	137.4	151.8	-69.2	177.9	168.4	0	0	125.1
129	E	27.4	Very low	29.8	Very low	163 Å²	163	138.6 Å²	138.6	76%	0.762	75%	0.753	S	S	*	*				51.6	150.9	129.8	-68	-174.9	-173.8	0	0	123.5
130	D	25.8	Very low	30	Very low	137 Å²	137	131.7 Å²	131.7	73%	0.733	75%	0.747	S	S	*	*			cis	-164.2	-175.2	-24.2	-140	-18.4	0	0	0	111
131	D	28	Very low	29.6	Very low	142 Å²	142	129.8 Å²	129.8	76%	0.759	75%	0.747	S	S	*	*			trans	65.6	157.6	157.1	-96.6	11	0	0	0	120.8
132	E	28.6	Very low	29.7	Very low	153 Å²	153	132 Å²	132	72%	0.715	75%	0.746	S	S	*	*			cis	-176.2	159.3	-42.4	-125.1	-86.4	98.4	0	0	110.8
133	S	29.3	Very low	30.1	Very low	88 Å²	88	136.3 Å²	136.3	62%	0.615	75%	0.749	S	S	*	*			trans	61.2	177.2	166.8	80.6	0	0	0	0	116.6
134	Q	30.8	Very low	30.3	Very low	158 Å²	158	135 Å²	135	74%	0.738	75%	0.745	S	S	*	*			cis	-123.5	148.4	-5.3	-80.2	-165	12.4	0	0	109.5
135	Q	31.3	Very low	30.5	Very low	145 Å²	145	138.2 Å²	138.2	68%	0.678	75%	0.749	S	S	*	*				70.3	135.6	72.7	-119.6	-175.6	76.5	0	0	113.7	V137	Q135-V137 HydrophobicContact CG-CG2 3.99Å
136	Q	28.9	Very low	29.8	Very low	163 Å²	163	142.5 Å²	142.5	76%	0.762	76%	0.761	S	S	*	*			cis	-131.8	150.5	22.2	-80.3	174.4	-7.9	0	0	111.7
137	V	30.8	Very low	30	Very low	111 Å²	111	138.4 Å²	138.4	67%	0.673	76%	0.76	S	S	*	*			cis	98.5	145.6	40.5	169.3	0	0	0	0	114.4	Q135	Q135-V137 HydrophobicContact CG-CG2 3.99Å
138	L	29.8	Very low	30.2	Very low	150 Å²	150	135.9 Å²	135.9	79%	0.785	76%	0.759	S	S	*	*			trans	112.6	158.6	171.5	-58.4	179.4	0	0	0	113.7
139	L	31.4	Very low	30.5	Very low	154 Å²	154	139.1 Å²	139.1	81%	0.806	77%	0.766	S	S	*	*				-157.8	162.8	-56.4	-82.7	-172.3	0	0	0	106.5
140	A	32.8	Very low	30.6	Very low	92 Å²	92	139.5 Å²	139.5	76%	0.76	77%	0.768	S	S	*	*			cis	-173.8	166.2	-28.6	0	0	0	0	0	109.7
141	G	30.5	Very low	30.9	Very low	70 Å²	70	139.4 Å²	139.4	72%	0.722	77%	0.767	S	S	*	*			trans	90	149.3	167.8	0	0	0	0	0	116.8
142	E	35.2	Very low	31.1	Very low	180 Å²	180	136.8 Å²	136.8	84%	0.841	76%	0.76	S	S	*	*			cis	-164.6	144.3	-5.5	-125.2	165.8	-174.1	0	0	110.7
143	E	33.4	Very low	31.2	Very low	193 Å²	193	135.9 Å²	135.9	90%	0.902	76%	0.76	S	S	*	*			trans	52.5	157	163.5	-55.1	-175.9	162	0	0	118.9
144	G	31.2	Very low	31.3	Very low	77 Å²	77	139.6 Å²	139.6	79%	0.794	77%	0.768	S	S	*	*			cis	171.8	162.4	1	0	0	0	0	0	106
145	D	30.4	Very low	31.5	Very low	163 Å²	163	137.7 Å²	137.7	87%	0.872	77%	0.767	S	S	*	*			cis	-154.5	179.4	10.5	-175.7	20.8	0	0	0	108.9
146	E	34.2	Very low	31.4	Very low	190 Å²	190	136.7 Å²	136.7	89%	0.888	78%	0.776	S	S	*	*			trans	-84.7	178.2	-170.2	-58.9	-164.7	145.2	0	0	117
147	G	30.4	Very low	31.8	Very low	69 Å²	69	140.4 Å²	140.4	71%	0.711	78%	0.783	S	S	*	*			trans	172.8	68.2	171.9	0	0	0	0	0	116.2
148	S	29.8	Very low	31.8	Very low	102 Å²	102	141.9 Å²	141.9	71%	0.713	79%	0.787	S	S	*	*			trans	-108.6	138.1	179.7	-179.9	0	0	0	0	113.3
149	Y	30.7	Very low	31.9	Very low	221 Å²	221	139 Å²	139	87%	0.867	78%	0.779	S	S	*	*			trans	-146.9	143.1	158	-33.2	-80.7	0	0	0	112.9
150	E	30.1	Very low	31.8	Very low	171 Å²	171	138.3 Å²	138.3	80%	0.799	78%	0.782	S	S	*	*			trans	-127.9	165.8	168.9	-71.5	-165.6	97.4	0	0	108.2
151	L	31.6	Very low	31.8	Very low	135 Å²	135	142.9 Å²	142.9	71%	0.707	79%	0.789	S	S	*	*			cis	-154.6	-168.4	8.7	-138	171.5	0	0	0	107.6
152	S	31.6	Very low	31.7	Very low	88 Å²	88	143.1 Å²	143.1	62%	0.615	79%	0.792	S	S	*	*			trans	71.6	154	146.1	-79.4	0	0	0	0	119
153	D	30.9	Very low	31.5	Very low	134 Å²	134	139.3 Å²	139.3	72%	0.717	79%	0.785	S	S	*	*			cis	-165.2	-163.9	-19.7	-128.9	-61.3	0	0	0	111.5
154	E	30.6	Very low	31.2	Very low	165 Å²	165	136.9 Å²	136.9	77%	0.771	78%	0.779	S	S	*	*			trans	90.4	156.5	154	-77.4	-72.5	161.5	0	0	118.9
155	V	35.1	Very low	31.2	Very low	118 Å²	118	138.5 Å²	138.5	72%	0.715	78%	0.778	S	S	*	*			trans	-139.3	159.7	-157.7	-70.9	0	0	0	0	112.5
156	S	30.3	Very low	31.1	Very low	125 Å²	125	138.2 Å²	138.2	87%	0.874	78%	0.776	S	S	*	*			trans	-156.3	134.7	155.5	-84	0	0	0	0	113.5
157	R	37.2	Very low	30.8	Very low	241 Å²	241	134.6 Å²	134.6	91%	0.909	77%	0.767	S	S	*	*			trans	-99.6	154.4	153.5	-69.9	165.2	149	143.4	-10.7	105.7
158	D	30.1	Very low	30.6	Very low	141 Å²	141	141.2 Å²	141.2	75%	0.754	78%	0.777	S	S	*	*				179.1	174.1	65.6	-164	2.6	0	0	0	110.5
159	S	32.8	Very low	30.4	Very low	89 Å²	89	141 Å²	141	62%	0.622	78%	0.775	S	S	*	*			trans	8.1	150.2	152.9	-60.4	0	0	0	0	120.5
160	T	29.4	Very low	30.1	Very low	140 Å²	140	136 Å²	136	86%	0.859	77%	0.773	S	S	*	*				-165.1	179	55.1	-42.9	0	0	0	0	112.4
161	M	33.4	Very low	30.1	Very low	188 Å²	188	132.2 Å²	132.2	93%	0.926	76%	0.763	S	S	*	*			trans	-91	164.2	-167.8	-50.6	-165.9	78.1	0	0	116.8
162	G	26.6	Very low	30	Very low	75 Å²	75	135.8 Å²	135.8	77%	0.773	77%	0.773	S	S	*	*			trans	155.6	158.1	156.6	0	0	0	0	0	112.4
163	S	30.8	Very low	29.9	Very low	100 Å²	100	136.7 Å²	136.7	70%	0.699	78%	0.778	S	S	*	*				-170.6	146.6	-61.6	-162.9	0	0	0	0	106
164	D	28.4	Very low	29.6	Very low	143 Å²	143	137.9 Å²	137.9	77%	0.765	78%	0.784	S	S	*	*			trans	71.5	142.1	159.6	-57.4	-61.4	0	0	0	123.6
165	S	31.3	Very low	29.6	Very low	111 Å²	111	135 Å²	135	78%	0.776	78%	0.782	S	S	*	*			trans	65.2	140	164.6	54.5	0	0	0	0	118.5
166	D	28.5	Very low	29.7	Very low	157 Å²	157	135 Å²	135	84%	0.84	78%	0.784	S	S	*	*			cis	-143.8	167.4	28.2	-138.5	-23.7	0	0	0	115
167	T	27.8	Very low	29.5	Very low	113 Å²	113	136.3 Å²	136.3	69%	0.693	79%	0.786	S	S	*	*			trans	-104.5	145.4	-174.5	-62.8	0	0	0	0	112.7
168	F	24.7	Very low	29.1	Very low	209 Å²	209	129.7 Å²	129.7	92%	0.917	78%	0.777	S	S	*	*			trans	-130.2	117.7	161.7	-153.1	-87.1	0	0	0	111.7
169	S	26.7	Very low	28.9	Very low	98 Å²	98	132.1 Å²	132.1	69%	0.685	78%	0.784	S	S	*	*			trans	-96.9	152.6	-175.6	-55	0	0	0	0	112.2
170	S	25.1	Very low	28.5	Very low	116 Å²	116	132.2 Å²	132.2	81%	0.811	79%	0.79	S	S	*	*			trans	-136.2	140.9	160.9	-164.5	0	0	0	0	108.9
171	P	28.2	Very low	28.3	Very low	90 Å²	90	133.5 Å²	133.5	58%	0.584	79%	0.791	S	S	*	*			trans	-101.3	148.3	-158.8	37.3	-34.3	0	0	0	114.2
172	F	30.7	Very low	27.9	Very low	210 Å²	210	130.6 Å²	130.6	92%	0.921	79%	0.787	S	S	*	*				-157.8	136.4	116.4	-93.1	-64.8	0	0	0	108.8
173	C	28.5	Very low	27.9	Very low	108 Å²	108	136.3 Å²	136.3	73%	0.73	79%	0.794	S	S	*	*			trans	-100.2	130.1	-166.5	-58.5	0	0	0	0	112.7
174	L	26.2	Very low	27.5	Very low	159 Å²	159	136 Å²	136	83%	0.832	79%	0.792	S	S	*	*			trans	-87.2	145.7	137.4	-65.6	177	0	0	0	107.8
175	S	28.8	Very low	27.3	Very low	104 Å²	104	134.7 Å²	134.7	73%	0.727	79%	0.794	S	S	*	*			trans	-141	140.7	174.9	-68.4	0	0	0	0	110.4
176	P	38.4	Very low	26.9	Very low	118 Å²	118	133 Å²	133	77%	0.766	79%	0.794	S	S	*	*			trans	-88.3	170.3	-170.5	36.4	-37.3	0	0	0	113.1
177	V	26.1	Very low	26.6	Very low	152 Å²	152	131.1 Å²	131.1	92%	0.921	79%	0.794	S	S	*	*			trans	-129.3	140.4	162.4	179.3	0	0	0	0	108.1
178	S	27.7	Very low	26.4	Very low	102 Å²	102	131 Å²	131	71%	0.713	79%	0.792	S	S	*	*			trans	-102.3	145.6	-157.1	-44.1	0	0	0	0	115.8
179	E	27.5	Very low	26.4	Very low	193 Å²	193	129.5 Å²	129.5	90%	0.902	79%	0.786	S	S	*	*				30.6	113.2	122.8	-168	174.3	-122.5	0	0	120.2
180	A	24	Very low	26.3	Very low	91 Å²	91	132 Å²	132	75%	0.752	79%	0.79	S	S	*	*			trans	-171	147	148.4	0	0	0	0	0	107.3
181	L	24.1	Very low	26.1	Very low	166 Å²	166	132.9 Å²	132.9	87%	0.869	79%	0.786	S	S	*	*			cis	-139.3	166.9	8.5	-71.1	167.4	0	0	0	110.5
182	C	26.2	Very low	26.8	Very low	127 Å²	127	133.2 Å²	133.2	86%	0.858	79%	0.788	S	S	*	*			trans	-109.4	169.1	159.4	-70.2	0	0	0	0	111.3
183	E	25.3	Very low	26.4	Very low	195 Å²	195	131.8 Å²	131.8	91%	0.911	79%	0.785	S	S	*	*			trans	115.7	139.1	178.8	-74.8	-172.8	-160.4	0	0	113.7
184	S	23.1	Very low	26.2	Very low	93 Å²	93	131.8 Å²	131.8	65%	0.65	79%	0.786	S	S	*	*			cis	-159.7	137.7	-9.7	-175	0	0	0	0	113.3
185	S	24.2	Very low	26.2	Very low	116 Å²	116	134.7 Å²	134.7	81%	0.811	79%	0.786	S	S	*	*			trans	53.3	131.2	143	-51.6	0	0	0	0	124.9
186	G	22.9	Very low	25.9	Very low	76 Å²	76	136.5 Å²	136.5	78%	0.784	78%	0.783	S	S	*	*			trans	115.8	144.7	145.5	0	0	0	0	0	116.2
187	S	22.5	Very low	25.2	Very low	118 Å²	118	137.9 Å²	137.9	83%	0.825	78%	0.783	S	S	*	*			cis	-173.8	166.9	-5	74.1	0	0	0	0	108.4
188	V	24.3	Very low	25.2	Very low	110 Å²	110	136.1 Å²	136.1	67%	0.667	78%	0.776	S	S	*	*			cis	-165	149	-0.3	98.8	0	0	0	0	110.4
189	F	24.1	Very low	25	Very low	178 Å²	178	139.9 Å²	139.9	78%	0.781	78%	0.782	S	S	*	*			trans	64.4	157.3	160.9	-74.3	-156.4	0	0	0	118.6
190	L	25.6	Very low	24.8	Very low	149 Å²	149	138.7 Å²	138.7	78%	0.78	78%	0.777	S	S	*	*			cis	-154.3	169.5	-17.2	-119.3	179.2	0	0	0	110.4
191	D	20.4	Very low	25.1	Very low	136 Å²	136	139.1 Å²	139.1	73%	0.727	77%	0.774	S	S	*	*			trans	-105.9	-174.5	176.5	-141.8	18.2	0	0	0	109.6
192	P	41.4	Very low	25.2	Very low	97 Å²	97	139 Å²	139	63%	0.63	77%	0.771	S	S	*	*				-122.3	-164.5	-78.7	33.4	-14.7	0	0	0	114.6
193	E	24	Very low	25.3	Very low	180 Å²	180	138.9 Å²	138.9	84%	0.841	76%	0.762	S	S	*	*			trans	79.7	136.5	157.7	-67.4	-162.3	111.1	0	0	123.7
194	S	24.1	Very low	25.4	Very low	108 Å²	108	137.7 Å²	137.7	76%	0.755	76%	0.756	S	S	*	*			trans	101.9	135	140.3	80.7	0	0	0	0	121.4
195	R	24.8	Very low	25.6	Very low	219 Å²	219	137.5 Å²	137.5	83%	0.826	76%	0.755	S	S	*	*			trans	68.5	157.3	158.1	-72.4	-164.9	149.1	124.3	-0.7	120
196	E	23.7	Very low	25.7	Very low	142 Å²	142	138.3 Å²	138.3	66%	0.664	76%	0.755	S	S	*	*			cis	-176.2	156.5	-35.9	-126.9	176.5	153.6	0	0	108.4
197	L	23.8	Very low	25.9	Very low	148 Å²	148	139 Å²	139	78%	0.775	75%	0.748	S	S	*	*			trans	78.6	158.8	157.2	-65	163.7	0	0	0	122.5
198	C	25.1	Very low	26.4	Very low	115 Å²	115	138.6 Å²	138.6	78%	0.777	75%	0.745	S	S	*	*			trans	69.1	116.1	-177.2	-56.1	0	0	0	0	114.8
199	E	23.5	Very low	26.5	Very low	181 Å²	181	139.8 Å²	139.8	85%	0.846	75%	0.752	S	S	*	*			cis	63.9	140.1	40.2	-51.6	-170.3	121.9	0	0	112.9
200	E	24.8	Very low	26.7	Very low	168 Å²	168	135.9 Å²	135.9	79%	0.785	75%	0.747	S	S	*	*			cis	-158.1	168.2	24.1	-155	-173.1	171.7	0	0	112.9
201	S	29	Very low	26.8	Very low	99 Å²	99	133.3 Å²	133.3	69%	0.692	74%	0.741	S	S	*	*			trans	70.7	148.8	161.9	78.7	0	0	0	0	118.6
202	M	27.1	Very low	27.2	Very low	164 Å²	164	133.9 Å²	133.9	81%	0.808	74%	0.744	S	S	*	*			cis	-145.9	124.8	0	-117.6	154.8	-165.7	0	0	109
203	N	27.1	Very low	26.4	Very low	125 Å²	125	135.4 Å²	135.4	67%	0.668	75%	0.747	S	S	*	*				50.7	119.2	102	-68.1	-29.9	0	0	0	116.3
204	H	27.5	Very low	26.6	Very low	169 Å²	169	130.8 Å²	130.8	78%	0.782	73%	0.734	S	S	*	*				-153.2	136.6	67.4	-83.5	-65.9	0	0	0	112.7
205	S	26.9	Very low	26.9	Very low	89 Å²	89	134.8 Å²	134.8	62%	0.622	74%	0.741	S	S	*	*				76.7	142.5	71.7	-47.5	0	0	0	0	113.8
206	V	26.9	Very low	27	Very low	134 Å²	134	128.7 Å²	128.7	81%	0.812	74%	0.737	S	S	*	*			cis	-174.2	155.8	-3.9	120	0	0	0	0	106.6
207	S	28.3	Very low	27.5	Very low	91 Å²	91	127.8 Å²	127.8	64%	0.636	74%	0.744	S	S	*	*			cis	-159.7	161.5	-17.1	71.4	0	0	0	0	107.9
208	S	32	Very low	27.7	Very low	109 Å²	109	126.6 Å²	126.6	76%	0.762	75%	0.747	S	S	*	*				61.2	159.9	89.5	-46.2	0	0	0	0	117.1
209	T	27.6	Very low	28.3	Very low	135 Å²	135	130.4 Å²	130.4	83%	0.828	75%	0.754	S	S	*	*			cis	-119.8	-162.3	3.1	53.3	0	0	0	0	110.3
210	S	27.1	Very low	28.7	Very low	96 Å²	96	125.8 Å²	125.8	67%	0.671	76%	0.755	S	S	*	*			cis	-150.9	174.6	3.8	73.3	0	0	0	0	108.2
211	S	27.7	Very low	29.1	Very low	94 Å²	94	119.9 Å²	119.9	66%	0.657	74%	0.739	S	S	*	*			cis	73.4	143.3	16	81.5	0	0	0	0	116.4
212	L	29.5	Very low	29.3	Very low	148 Å²	148	117.9 Å²	117.9	78%	0.775	73%	0.734	S	S	*	*			cis	-119.4	-176	-0.1	-62.4	91.9	0	0	0	110.2
213	D	25.1	Very low	29.8	Very low	130 Å²	130	118.5 Å²	118.5	70%	0.695	74%	0.735	S	S	*	*			cis	-160.1	159.4	18.2	-143.3	-35.7	0	0	0	115.4
214	S	27.8	Very low	30.1	Very low	83 Å²	83	116.7 Å²	116.7	58%	0.58	73%	0.732	S	S	*	*			trans	39	110.1	152.6	-68.4	0	0	0	0	122.7
215	H	28.8	Very low	30.6	Very low	192 Å²	192	115.7 Å²	115.7	89%	0.889	73%	0.728	S	S	*	*				164.3	138.8	108.5	-88.5	-69.3	0	0	0	112.3
216	A	27.9	Very low	31.2	Very low	91 Å²	91	114.3 Å²	114.3	75%	0.752	72%	0.722	S	S	*	*			trans	-102.2	159.7	167.9	0	0	0	0	0	110.6
217	P	35	Very low	31.8	Very low	123 Å²	123	114.2 Å²	114.2	80%	0.799	71%	0.714	S	S	*	*				-149.1	158.2	96.3	39.5	-24.4	0	0	0	117.2
218	S	27.6	Very low	32.3	Very low	122 Å²	122	118 Å²	118	85%	0.853	71%	0.714	S	S	*	*			trans	66.9	145.6	151.8	-156.1	0	0	0	0	120.6
219	E	37.3	Very low	32.6	Very low	195 Å²	195	120.7 Å²	120.7	91%	0.911	71%	0.708	S	S	*	*			trans	-83	165.7	176.2	-55.2	178.8	114.4	0	0	113
220	G	32.9	Very low	33.3	Very low	84 Å²	84	119.3 Å²	119.3	87%	0.866	69%	0.692	S	S	*	*			trans	130.9	86.3	164.6	0	0	0	0	0	115
221	G	32.3	Very low	34.2	Very low	45 Å²	45	120.1 Å²	120.1	46%	0.464	69%	0.685	S	S	.	*			trans	170.9	-14.7	171.6	0	0	0	0	0	119.3	Q223 S224 Q225	G221-Q223 PolarHBondContact O-N 3.32Å; G221-S224 PolarHBondContact O-N 3.16Å; G221-S224 VanDerWaalsContact O-N 3.11Å; G221-Q225 PolarHBondContact O-N 2.9Å
222	G	33.9	Very low	34.8	Very low	56 Å²	56	120.5 Å²	120.5	58%	0.577	68%	0.676	S	S	*	*	H	α-helix	trans	-54.1	-43.3	-166.9	0	0	0	0	0	116.1	S224 Q225 A226	G222-S224 PolarHBondContact O-N 3.44Å; G222-Q225 PolarHBondContact O-N 2.73Å; G222-A226 PolarHBondContact O-N 2.87Å
223	Q	35.9	Very low	35.7	Very low	178 Å²	178	118.6 Å²	118.6	83%	0.832	66%	0.664	S	S	*	*	H	α-helix	trans	-64.9	-38.1	-179.9	-72.5	178.2	-16.5	0	0	112.9	G221 A226 M227	G221-Q223 PolarHBondContact O-N 3.32Å; Q223-A226 PolarHBondContact O-N 3Å; Q223-M227 WeakPolarHBondContact O-CB 3.29Å; Q223-M227 PolarHBondContact O-N 3.5Å
224	S	34.9	Very low	36.8	Very low	86 Å²	86	118.4 Å²	118.4	60%	0.601	66%	0.656	S	S	*	*	H	α-helix	trans	-69.9	-36.2	178.3	-178.3	0	0	0	0	111.8	G221 G222 R228	G221-S224 PolarHBondContact O-N 3.16Å; G221-S224 VanDerWaalsContact O-N 3.11Å; G222-S224 PolarHBondContact O-N 3.44Å; S224-R228 WeakPolarHBondContact O-CB 3.44Å; S224-R228 PolarHBondContact O-N 2.84Å
225	Q	36.8	Very low	37.8	Very low	149 Å²	149	118.4 Å²	118.4	70%	0.696	65%	0.65	S	S	*	*	H	α-helix	trans	-67.6	-41.8	173.3	-86.7	-175	-25.2	0	0	112.7	G221 G222 R228 W229	G221-Q225 PolarHBondContact O-N 2.9Å; G222-Q225 PolarHBondContact O-N 2.73Å; Q225-R228 PolarHBondContact O-N 2.96Å; Q225-W229 VanDerWaalsContact O-CB 3.31Å; Q225-W229 WeakPolarHBondContact O-CB 3.38Å; Q225-W229 PolarHBondContact O-N 3.1Å
226	A	40.8	Very low	38.8	Very low	60 Å²	60	114.1 Å²	114.1	50%	0.496	63%	0.633	S	S	.	*	H	α-helix	trans	-62.8	-48.3	177.1	0	0	0	0	0	111.8	G222 Q223 R228 W229 E230	G222-A226 PolarHBondContact O-N 2.87Å; Q223-A226 PolarHBondContact O-N 3Å; A226-R228 PolarHBondContact O-N 2.97Å; A226-W229 WeakPolarHBondContact O-CB 3.5Å; A226-W229 PolarHBondContact O-N 2.83Å; A226-W229 VanDerWaalsContact O-N 3.15Å; A226-E230 PolarHBondContact O-N 3.44Å
227	M	38.7	Very low	39.9	Very low	132 Å²	132	111.9 Å²	111.9	65%	0.65	61%	0.614	S	S	*	*	H	α-helix	trans	-62.4	-42.5	178.9	-161.5	171.5	-163.9	0	0	111.7	Q223 W229 E230 E231	Q223-M227 WeakPolarHBondContact O-CB 3.29Å; Q223-M227 PolarHBondContact O-N 3.5Å; M227-W229 VanDerWaalsContact C-N 3.34Å; M227-W229 PolarHBondContact O-N 2.99Å; M227-E230 PolarHBondContact O-N 3.24Å; M227-E231 WeakPolarHBondContact O-CG 3.4Å; M227-E231 PolarHBondContact O-N 3.32Å
228	R	39	Very low	40.7	Very low	170 Å²	170	108.7 Å²	108.7	64%	0.642	59%	0.59	S	S	*	*	H	α-helix	trans	-65.9	-33.1	174.7	-171.7	178.6	-172.7	177.8	4	112.9	S224 Q225 A226 Q232	S224-R228 WeakPolarHBondContact O-CB 3.44Å; S224-R228 PolarHBondContact O-N 2.84Å; Q225-R228 PolarHBondContact O-N 2.96Å; A226-R228 PolarHBondContact O-N 2.97Å; R228-Q232 WeakPolarHBondContact O-CB 3.12Å; R228-Q232 PolarHBondContact O-N 3.19Å
229	W	37.4	Very low	41.8	Very low	165 Å²	165	106 Å²	106	63%	0.625	56%	0.564	S	S	*	*	H	α-helix	trans	-69.5	-40.6	175	-175.2	-93.2	0	0	0	111.4	Q225 A226 M227 Q232 Q233	Q225-W229 VanDerWaalsContact O-CB 3.31Å; Q225-W229 WeakPolarHBondContact O-CB 3.38Å; Q225-W229 PolarHBondContact O-N 3.1Å; A226-W229 WeakPolarHBondContact O-CB 3.5Å; A226-W229 PolarHBondContact O-N 2.83Å; A226-W229 VanDerWaalsContact O-N 3.15Å; M227-W229 VanDerWaalsContact C-N 3.34Å; M227-W229 PolarHBondContact O-N 2.99Å; W229-Q232 PolarHBondContact O-N 3.47Å; W229-Q233 PolarHBondContact O-N 3.02Å
230	E	43.1	Very low	42.7	Very low	107 Å²	107	104.7 Å²	104.7	50%	0.5	56%	0.558	S	S	.	*	H	α-helix	trans	-62.3	-45.5	170	-74.7	-163.2	178	0	0	112.6	A226 M227 Q232 Q233 K234	A226-E230 PolarHBondContact O-N 3.44Å; M227-E230 PolarHBondContact O-N 3.24Å; E230-Q232 PolarHBondContact O-N 3.17Å; E230-Q233 PolarHBondContact O-N 3.17Å; E230-K234 WeakPolarHBondContact O-CB 3.17Å; E230-K234 WeakPolarHBondContact O-CD 3.38Å; E230-K234 VanDerWaalsContact O-CG 3.24Å; E230-K234 WeakPolarHBondContact O-CG 3.43Å; E230-K234 PolarHBondContact O-N 3.05Å; E230-K234 IonicContact OE2-NZ 2.79Å; E230-K234 PolarHBondContact OE2-NZ 3.36Å
231	E	45	Very low	43.8	Very low	113 Å²	113	106 Å²	106	53%	0.528	55%	0.545	S	S	.	.	H	α-helix	trans	-58.3	-39.6	174.1	-74.1	-178.7	147.2	0	0	111.4	M227 K234 L235	M227-E231 WeakPolarHBondContact O-CG 3.4Å; M227-E231 PolarHBondContact O-N 3.32Å; E231-K234 PolarHBondContact O-N 3.2Å; E231-L235 WeakPolarHBondContact O-CB 3.5Å; E231-L235 VanDerWaalsContact O-CG 3.28Å; E231-L235 WeakPolarHBondContact O-CG 3.41Å; E231-L235 PolarHBondContact O-N 2.91Å
232	Q	41.6	Very low	45.2	Very low	101 Å²	101	104.4 Å²	104.4	47%	0.472	53%	0.526	S	S	.	.	H	α-helix	trans	-71.9	-34.3	178.7	-166.9	163.1	-7.8	0	0	112.1	R228 W229 E230 L236	R228-Q232 WeakPolarHBondContact O-CB 3.12Å; R228-Q232 PolarHBondContact O-N 3.19Å; W229-Q232 PolarHBondContact O-N 3.47Å; E230-Q232 PolarHBondContact O-N 3.17Å; Q232-L236 WeakPolarHBondContact O-CB 3.38Å; Q232-L236 WeakPolarHBondContact O-CD1 3.46Å; Q232-L236 VanDerWaalsContact O-CG 3.23Å; Q232-L236 WeakPolarHBondContact O-CG 3.38Å; Q232-L236 PolarHBondContact O-N 3.14Å
233	Q	48.1	Very low	47.1	Very low	108 Å²	108	102.6 Å²	102.6	51%	0.505	51%	0.507	S	S	.	.	H	α-helix	trans	-68.6	-40.2	168.5	-76.6	-171.3	-101	0	0	112.3	W229 E230 L236 A237	W229-Q233 PolarHBondContact O-N 3.02Å; E230-Q233 PolarHBondContact O-N 3.17Å; Q233-L236 PolarHBondContact O-N 2.88Å; Q233-A237 WeakPolarHBondContact O-CB 3.19Å; Q233-A237 PolarHBondContact O-N 3.03Å
234	K	48.8	Very low	49.2	Very low	126 Å²	126	96.4 Å²	96.4	55%	0.548	48%	0.482	S	S	.	.	H	α-helix	trans	-60.9	-43.8	173.4	-73.2	157.7	-178.4	156.6	0	110.6	E230 E231 L238	E230-K234 WeakPolarHBondContact O-CB 3.17Å; E230-K234 WeakPolarHBondContact O-CD 3.38Å; E230-K234 VanDerWaalsContact O-CG 3.24Å; E230-K234 WeakPolarHBondContact O-CG 3.43Å; E230-K234 PolarHBondContact O-N 3.05Å; E230-K234 IonicContact OE2-NZ 2.79Å; E230-K234 PolarHBondContact OE2-NZ 3.36Å; E231-K234 PolarHBondContact O-N 3.2Å; K234-L238 WeakPolarHBondContact O-CB 3.37Å; K234-L238 PolarHBondContact O-N 3.45Å
235	L	48.9	Very low	51.7	Low	84 Å²	84	94.7 Å²	94.7	44%	0.44	46%	0.463	S	S	.	.	H	α-helix	trans	-65.3	-39.8	174.4	-75.5	168.5	0	0	0	113	E231 L238 E239	E231-L235 WeakPolarHBondContact O-CB 3.5Å; E231-L235 VanDerWaalsContact O-CG 3.28Å; E231-L235 WeakPolarHBondContact O-CG 3.41Å; E231-L235 PolarHBondContact O-N 2.91Å; L235-L238 PolarHBondContact O-N 3.38Å; L235-E239 WeakPolarHBondContact O-CB 3.25Å; L235-E239 WeakPolarHBondContact O-CG 3.44Å; L235-E239 PolarHBondContact O-N 3.22Å
236	L	48.3	Very low	54.1	Low	102 Å²	102	93.1 Å²	93.1	53%	0.534	45%	0.451	S	S	.	.	H	α-helix	trans	-67.6	-43.6	176	-76.7	165.5	0	0	0	112.1	Q232 Q233 L238 E239 Q240	Q232-L236 WeakPolarHBondContact O-CB 3.38Å; Q232-L236 WeakPolarHBondContact O-CD1 3.46Å; Q232-L236 VanDerWaalsContact O-CG 3.23Å; Q232-L236 WeakPolarHBondContact O-CG 3.38Å; Q232-L236 PolarHBondContact O-N 3.14Å; Q233-L236 PolarHBondContact O-N 2.88Å; L236-L238 VanDerWaalsContact C-N 3.3Å; L236-L238 PolarHBondContact O-N 2.66Å; L236-E239 PolarHBondContact O-N 3.23Å; L236-Q240 WeakPolarHBondContact O-CG 3.33Å; L236-Q240 PolarHBondContact O-N 2.91Å
237	A	52.2	Low	56.3	Low	44 Å²	44	91.1 Å²	91.1	36%	0.364	43%	0.433	S	S	.	.	H	α-helix	trans	-62.2	-39.3	173.1	0	0	0	0	0	111.2	Q233 Q240 L241	Q233-A237 WeakPolarHBondContact O-CB 3.19Å; Q233-A237 PolarHBondContact O-N 3.03Å; A237-Q240 WeakPolarHBondContact O-CB 3.18Å; A237-Q240 PolarHBondContact O-N 3.4Å; A237-L241 WeakPolarHBondContact O-CB 3.45Å; A237-L241 WeakPolarHBondContact O-CG 3.38Å; A237-L241 PolarHBondContact O-N 3.29Å
238	L	50.7	Low	58.6	Low	56 Å²	56	86.2 Å²	86.2	29%	0.293	41%	0.409	S	S	.	.	H	α-helix	trans	-69.8	-34.3	175.7	-169.9	65.1	0	0	0	112.6	H59 K234 L235 L236 Q240 C242	H59-L238 VanDerWaalsContact NE2-CD1 3.34Å; H59-L238 WeakPolarHBondContact NE2-CD1 3.41Å; K234-L238 WeakPolarHBondContact O-CB 3.37Å; K234-L238 PolarHBondContact O-N 3.45Å; L235-L238 PolarHBondContact O-N 3.38Å; L236-L238 VanDerWaalsContact C-N 3.3Å; L236-L238 PolarHBondContact O-N 2.66Å; L238-Q240 VanDerWaalsContact C-N 3.26Å; L238-Q240 PolarHBondContact O-N 2.85Å; L238-C242 HydrophobicContact CD1-CB 4.42Å; L238-C242 CarbonylContact O-C 3.59Å; L238-C242 VanDerWaalsContact O-CA 3.32Å; L238-C242 WeakPolarHBondContact O-CA 3.47Å; L238-C242 VanDerWaalsContact O-CB 3.3Å; L238-C242 WeakPolarHBondContact O-CB 3.4Å; L238-C242 PolarHBondContact O-N 3.36Å
239	E	51.9	Low	60.8	Low	65 Å²	65	78.1 Å²	78.1	30%	0.304	38%	0.379	S	S	.	.	H	α-helix	trans	-72.3	-17.2	172.7	-77.8	-178.4	-160.5	0	0	113.5	R89 L235 L236 G243	R89-E239 IonicContact CZ-OE1 3.63Å; R89-E239 IonicContact NH1-OE1 3.66Å; R89-E239 PolarHBondContact NH1-OE1 3.46Å; R89-E239 IonicContact NH2-OE1 3.2Å; L235-E239 WeakPolarHBondContact O-CB 3.25Å; L235-E239 WeakPolarHBondContact O-CG 3.44Å; L235-E239 PolarHBondContact O-N 3.22Å; L236-E239 PolarHBondContact O-N 3.23Å; E239-G243 VanDerWaalsContact O-CA 3.23Å; E239-G243 WeakPolarHBondContact O-CA 3.43Å; E239-G243 PolarHBondContact O-N 3.46Å
240	Q	56.1	Low	62.8	Low	167 Å²	167	70.4 Å²	70.4	78%	0.78	35%	0.35	S	S	*	.	H	α-helix	trans	-82.6	-51.4	166.3	-71.5	178.5	-27.7	0	0	111.9	L236 A237 L238 G243	L236-Q240 WeakPolarHBondContact O-CG 3.33Å; L236-Q240 PolarHBondContact O-N 2.91Å; A237-Q240 WeakPolarHBondContact O-CB 3.18Å; A237-Q240 PolarHBondContact O-N 3.4Å; L238-Q240 VanDerWaalsContact C-N 3.26Å; L238-Q240 PolarHBondContact O-N 2.85Å; Q240-G243 PolarHBondContact O-N 3.09Å
241	L	55	Low	64.6	Low	112 Å²	112	69.1 Å²	69.1	59%	0.586	34%	0.344	S	S	*	.	H	α-helix	trans	-63.1	-43.9	179.7	-73.4	165.2	0	0	0	112.7	A237 K279	A237-L241 WeakPolarHBondContact O-CB 3.45Å; A237-L241 WeakPolarHBondContact O-CG 3.38Å; A237-L241 PolarHBondContact O-N 3.29Å; L241-K279 PolarHBondContact O-NZ 2.87Å
242	C	61.8	Low	66.3	Low	11 Å²	11	65.1 Å²	65.1	7%	0.074	33%	0.326	C	S	.	.	T	Hydrogen-bonded Turn	trans	-110.6	48	175.5	-64.5	0	0	0	0	110.4	W81 P83 L238	W81-C242 HydrophobicContact CH2-CB 4.13Å; W81-C242 HydrophobicContact CZ3-CB 4.26Å; P83-C242 WeakPolarHBondContact CG-O 3.28Å; L238-C242 HydrophobicContact CD1-CB 4.42Å; L238-C242 CarbonylContact O-C 3.59Å; L238-C242 VanDerWaalsContact O-CA 3.32Å; L238-C242 WeakPolarHBondContact O-CA 3.47Å; L238-C242 VanDerWaalsContact O-CB 3.3Å; L238-C242 WeakPolarHBondContact O-CB 3.4Å; L238-C242 PolarHBondContact O-N 3.36Å
243	G	73.5	Confident	67.9	Low	18 Å²	18	62 Å²	62	19%	0.186	31%	0.309	C	S	.	.	S	Bend	trans	-64.7	174.5	163.2	0	0	0	0	0	112.4	E239 Q240 F245	E239-G243 VanDerWaalsContact O-CA 3.23Å; E239-G243 WeakPolarHBondContact O-CA 3.43Å; E239-G243 PolarHBondContact O-N 3.46Å; Q240-G243 PolarHBondContact O-N 3.09Å; G243-F245 PolarHBondContact O-N 3.01Å
244	V	80.6	Confident	69.4	Low	48 Å²	48	56.9 Å²	56.9	29%	0.291	29%	0.286	S	S	.	.			trans	-66.4	119.7	166.1	174.7	0	0	0	0	108.1	T80 V82 A94 Y97	T80-V244 HydrophobicContact CG2-CG1 3.92Å; V82-V244 HydrophobicContact CG1-CG2 4.27Å; V82-V244 HydrophobicContact CG2-CG1 4.16Å; A94-V244 HydrophobicContact CB-CG2 4.46Å; Y97-V244 HydrophobicContact CD2-CG1 4.04Å; Y97-V244 HydrophobicContact CE2-CG1 4.21Å
245	F	86.5	Confident	71.1	Confident	50 Å²	50	50.9 Å²	50.9	22%	0.219	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	105.2	178.2	176.3	-98.5	0	0	0	108.7	L79 T80 W81 G243 V247 I271 K279	L79-F245 HydrophobicContact CD2-CD1 4.02Å; L79-F245 HydrophobicContact CD2-CE1 3.87Å; T80-F245 CarbonylContact C-O 3.45Å; T80-F245 VanDerWaalsContact CA-O 3.29Å; T80-F245 WeakPolarHBondContact CA-O 3.33Å; W81-F245 HydrophobicContact CB-CB 4.42Å; W81-F245 HydrophobicContact CE3-CB 4.48Å; W81-F245 PolarHBondContact N-O 3.3Å; W81-F245 PolarHBondContact O-N 3.33Å; G243-F245 PolarHBondContact O-N 3.01Å; F245-V247 HydrophobicContact CD1-CG1 4.39Å; F245-V247 HydrophobicContact CE1-CB 4.09Å; F245-V247 HydrophobicContact CE1-CG1 3.49Å; F245-V247 VanDerWaalsContact CE1-CG1 3.49Å; F245-V247 HydrophobicContact CZ-CB 3.93Å; F245-V247 HydrophobicContact CZ-CG1 3.73Å; F245-I271 HydrophobicContact CE1-CD1 3.97Å; F245-I271 HydrophobicContact CZ-CD1 4.5Å; F245-K279 HydrophobicContact CD1-CG 4.11Å; F245-K279 HydrophobicContact CD2-CB 4.4Å; F245-K279 HydrophobicContact CD2-CD 4.05Å; F245-K279 HydrophobicContact CD2-CG 3.97Å; F245-K279 HydrophobicContact CE1-CB 4.06Å; F245-K279 HydrophobicContact CE1-CG 4Å; F245-K279 HydrophobicContact CE2-CB 3.77Å; F245-K279 HydrophobicContact CE2-CD 4.21Å; F245-K279 HydrophobicContact CE2-CG 3.86Å; F245-K279 HydrophobicContact CG-CD 4.42Å; F245-K279 HydrophobicContact CG-CG 4.1Å; F245-K279 HydrophobicContact CZ-CB 3.58Å; F245-K279 HydrophobicContact CZ-CG 3.87Å
246	R	87.8	Confident	72.8	Confident	116 Å²	116	47.1 Å²	47.1	44%	0.438	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	132.4	171.5	-176.5	179	-171.6	-121.4	-3.8	108.7	E68 I78 L79 T80	E68-R246 IonicContact OE1-NH2 2.68Å; E68-R246 IonicContact OE2-CZ 2.66Å; E68-R246 IonicContact OE2-NH2 3.96Å; E68-R246 PolarHBondContact OE2-NH2 3.11Å; I78-R246 HydrophobicContact CG2-CG 3.86Å; L79-R246 WeakPolarHBondContact O-CA 3.23Å; T80-R246 HydrophobicContact CG2-CB 3.98Å; T80-R246 HydrophobicContact CG2-CG 4.4Å
247	V	87.6	Confident	74.7	Confident	18 Å²	18	42.2 Å²	42.2	11%	0.109	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	141.2	-179.5	67.9	0	0	0	0	110.8	I78 L79 F245 L249 M252 I271	I78-V247 WeakPolarHBondContact CA-O 3.48Å; L79-V247 HydrophobicContact CB-CG1 4.11Å; L79-V247 HydrophobicContact CD2-CG1 4.08Å; L79-V247 PolarHBondContact N-O 2.75Å; L79-V247 PolarHBondContact O-N 3.39Å; F245-V247 HydrophobicContact CD1-CG1 4.39Å; F245-V247 HydrophobicContact CE1-CB 4.09Å; F245-V247 HydrophobicContact CE1-CG1 3.49Å; F245-V247 VanDerWaalsContact CE1-CG1 3.49Å; F245-V247 HydrophobicContact CZ-CB 3.93Å; F245-V247 HydrophobicContact CZ-CG1 3.73Å; V247-L249 HydrophobicContact CG1-CD2 3.91Å; V247-M252 HydrophobicContact CG2-CE 3.48Å; V247-M252 VanDerWaalsContact CG2-CE 3.48Å; V247-M252 HydrophobicContact CG2-CG 3.73Å; V247-M252 HydrophobicContact CG2-SD 3.44Å; V247-M252 WeakPolarHBondContact CG2-SD 3.2Å; V247-I271 HydrophobicContact CG1-CD1 4.47Å
248	D	86.6	Confident	76.2	Confident	30 Å²	30	41 Å²	41	16%	0.16	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	117.6	165.7	177.1	10.3	0	0	0	109.3	T76 I78 G250 H251 M252	T76-D248 WeakPolarHBondContact CB-OD1 3.33Å; T76-D248 WeakPolarHBondContact CG2-OD1 3.34Å; T76-D248 PolarHBondContact OG1-OD1 3.2Å; I78-D248 HydrophobicContact CD1-CB 3.57Å; D248-G250 VanDerWaalsContact C-N 3.27Å; D248-G250 PolarHBondContact O-N 3.37Å; D248-G250 PolarHBondContact OD1-N 2.94Å; D248-H251 PolarHBondContact O-N 2.79Å; D248-H251 IonicContact OD2-CE1 3.05Å; D248-H251 IonicContact OD2-CG 2.88Å; D248-H251 IonicContact OD2-ND1 3.88Å; D248-H251 PolarHBondContact OD2-ND1 3.49Å; D248-M252 WeakPolarHBondContact O-CG 3.36Å
249	L	86.3	Confident	77.9	Confident	0 Å²	0	38.9 Å²	38.9	0%	0	19%	0.189	C	C	.	.	G	3₁₀ helix	trans	-69.1	-25.1	-180	-58.2	-176.1	0	0	0	112.3	L77 L79 V247 H251 M252 L255 I271 F295 W298 M317	L77-L249 HydrophobicContact CB-CB 4.46Å; L77-L249 HydrophobicContact CB-CD1 4.13Å; L77-L249 WeakPolarHBondContact O-CB 3.42Å; L77-L249 WeakPolarHBondContact O-CG 3.45Å; L77-L249 PolarHBondContact O-N 3.47Å; L79-L249 HydrophobicContact CB-CD1 4.09Å; L79-L249 HydrophobicContact CB-CD2 3.97Å; L79-L249 HydrophobicContact CB-CG 4.04Å; L79-L249 HydrophobicContact CD1-CD1 4.38Å; L79-L249 HydrophobicContact CD1-CD2 4.45Å; V247-L249 HydrophobicContact CG1-CD2 3.91Å; L249-H251 PolarHBondContact O-N 3.17Å; L249-M252 HydrophobicContact CD2-CG 4.41Å; L249-M252 PolarHBondContact O-N 3.07Å; L249-L255 HydrophobicContact CD1-CD1 4.26Å; L249-L255 HydrophobicContact CD1-CD2 4.14Å; L249-L255 HydrophobicContact CD2-CD1 4.01Å; L249-I271 HydrophobicContact CD2-CD1 4.33Å; L249-I271 HydrophobicContact CD2-CG2 4.21Å; L249-F295 HydrophobicContact CD1-CD1 4.29Å; L249-F295 HydrophobicContact CD1-CE1 3.38Å; L249-F295 HydrophobicContact CD1-CZ 3.73Å; L249-W298 HydrophobicContact CB-CH2 3.64Å; L249-W298 HydrophobicContact CB-CZ3 3.94Å; L249-M317 VanDerWaalsContact O-CG 3.26Å; L249-M317 WeakPolarHBondContact O-CG 3.34Å
250	G	78.8	Confident	79.3	Confident	2 Å²	2	39.7 Å²	39.7	2%	0.021	20%	0.202	C	C	.	.	G	3₁₀ helix	trans	-63.8	-30	176.8	0	0	0	0	0	113.2	T76 D248	T76-G250 VanDerWaalsContact OG1-CA 3.3Å; T76-G250 WeakPolarHBondContact OG1-CA 3.16Å; T76-G250 PolarHBondContact OG1-N 3.42Å; D248-G250 VanDerWaalsContact C-N 3.27Å; D248-G250 PolarHBondContact O-N 3.37Å; D248-G250 PolarHBondContact OD1-N 2.94Å
251	H	80.1	Confident	80.4	Confident	81 Å²	81	33.3 Å²	33.3	38%	0.375	17%	0.173	S	C	.	.	G	3₁₀ helix	trans	-86.4	-16.3	176.9	-79.2	90.6	0	0	0	114.1	D248 L249 R274	D248-H251 PolarHBondContact O-N 2.79Å; D248-H251 IonicContact OD2-CE1 3.05Å; D248-H251 IonicContact OD2-CG 2.88Å; D248-H251 IonicContact OD2-ND1 3.88Å; D248-H251 PolarHBondContact OD2-ND1 3.49Å; L249-H251 PolarHBondContact O-N 3.17Å; H251-R274 PolarHBondContact O-NE 3.36Å
252	M	81.9	Confident	81.5	Confident	28 Å²	28	32.8 Å²	32.8	14%	0.138	17%	0.171	C	C	.	.			trans	-70.5	155.4	-178.1	-69.1	-58.7	97.3	0	0	113.1	V247 D248 L249 I271 M317	V247-M252 HydrophobicContact CG2-CE 3.48Å; V247-M252 VanDerWaalsContact CG2-CE 3.48Å; V247-M252 HydrophobicContact CG2-CG 3.73Å; V247-M252 HydrophobicContact CG2-SD 3.44Å; V247-M252 WeakPolarHBondContact CG2-SD 3.2Å; D248-M252 WeakPolarHBondContact O-CG 3.36Å; L249-M252 HydrophobicContact CD2-CG 4.41Å; L249-M252 PolarHBondContact O-N 3.07Å; M252-I271 HydrophobicContact CB-CG2 4.41Å; M252-I271 HydrophobicContact CG-CG2 3.79Å; M252-I271 HydrophobicContact SD-CG2 4.11Å; M252-M317 WeakPolarHBondContact O-CA 3.49Å; M252-M317 VanDerWaalsContact O-CB 3.26Å; M252-M317 WeakPolarHBondContact O-CB 3.5Å; M252-M317 PolarHBondContact O-N 3.16Å
253	R	75.6	Confident	82.3	Confident	35 Å²	35	35.7 Å²	35.7	13%	0.132	20%	0.196	C	C	.	.	S	Bend	trans	-87.1	-37.2	178.9	-172	-177.2	68.9	-152.4	6.5	112.6	A272 S273 R274 S276 Y278 C316 Q318 N617	R253-A272 PolarHBondContact N-O 3.4Å; R253-S273 WeakPolarHBondContact CB-O 3.47Å; R253-S273 PolarHBondContact NH1-O 2.99Å; R253-R274 PolarHBondContact NH1-O 3.45Å; R253-S276 VanDerWaalsContact NH1-N 3.16Å; R253-S276 PolarHBondContact NH1-OG 2.91Å; R253-S276 PolarHBondContact NH2-OG 3.42Å; R253-Y278 PolarHBondContact NH2-OH 3.04Å; R253-C316 CarbonylContact C-O 3.51Å; R253-C316 WeakPolarHBondContact CA-O 3.33Å; R253-Q318 WeakPolarHBondContact O-CB 3.44Å; R253-Q318 PolarHBondContact O-N 3.44Å; R253-N617 PolarHBondContact NH2-ND2 3.37Å
254	S	78.3	Confident	82.8	Confident	1 Å²	1	35.6 Å²	35.6	1%	0.007	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	152.4	172	74.3	0	0	0	0	114.6	I271 A272 Q318	S254-I271 WeakPolarHBondContact O-CA 3.32Å; S254-A272 PolarHBondContact N-O 3.05Å; S254-A272 PolarHBondContact O-N 3.29Å; S254-A272 VanDerWaalsContact OG-CB 3.23Å; S254-A272 WeakPolarHBondContact OG-CB 3.35Å; S254-Q318 CarbonylContact C-O 3.59Å; S254-Q318 VanDerWaalsContact CA-O 3.25Å; S254-Q318 WeakPolarHBondContact CA-O 3.45Å; S254-Q318 VanDerWaalsContact CB-OE1 3.23Å
255	L	84.5	Confident	83	Confident	0 Å²	0	35.5 Å²	35.5	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	100.3	-178.4	-170.9	71.2	0	0	0	106.8	L249 L269 I271 F295 W298 M317 Q318 F319 S320	L249-L255 HydrophobicContact CD1-CD1 4.26Å; L249-L255 HydrophobicContact CD1-CD2 4.14Å; L249-L255 HydrophobicContact CD2-CD1 4.01Å; L255-L269 HydrophobicContact CD1-CD1 3.71Å; L255-L269 HydrophobicContact CG-CD1 4.23Å; L255-I271 HydrophobicContact CD1-CG1 4.01Å; L255-F295 HydrophobicContact CD1-CE2 4.23Å; L255-F295 HydrophobicContact CD1-CZ 4.31Å; L255-F295 HydrophobicContact CD2-CB 4.4Å; L255-F295 HydrophobicContact CD2-CD1 3.98Å; L255-F295 HydrophobicContact CD2-CD2 3.8Å; L255-F295 HydrophobicContact CD2-CE1 4.09Å; L255-F295 HydrophobicContact CD2-CE2 3.88Å; L255-F295 HydrophobicContact CD2-CG 3.82Å; L255-F295 HydrophobicContact CD2-CZ 4.03Å; L255-F295 HydrophobicContact CG-CD2 4.37Å; L255-F295 HydrophobicContact CG-CE2 4.22Å; L255-W298 HydrophobicContact CD2-CZ3 4.31Å; L255-M317 HydrophobicContact CB-SD 3.84Å; L255-M317 HydrophobicContact CD2-SD 4.37Å; L255-Q318 PolarHBondContact N-O 3.45Å; L255-F319 HydrophobicContact CB-CD2 4.05Å; L255-F319 HydrophobicContact CD2-CD2 3.75Å; L255-F319 HydrophobicContact CD2-CE2 4.1Å; L255-F319 HydrophobicContact CG-CD2 3.97Å; L255-F319 HydrophobicContact CG-CE2 4.38Å; L255-F319 WeakPolarHBondContact O-CA 3.38Å; L255-F319 WeakPolarHBondContact O-CD2 3.36Å; L255-S320 PolarHBondContact O-N 3.13Å
256	R	84.5	Confident	83	Confident	5 Å²	5	34.1 Å²	34.1	2%	0.019	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	127.1	-172.1	-59.7	175.3	-178.4	177.3	-7	110	F258 V270 S320 H614 N617 L618	R256-F258 HydrophobicContact CB-CD2 4.37Å; R256-F258 HydrophobicContact CB-CE2 3.55Å; R256-F258 HydrophobicContact CB-CZ 3.93Å; R256-V270 HydrophobicContact CB-CB 4.42Å; R256-V270 PolarHBondContact N-O 3.34Å; R256-V270 PolarHBondContact O-N 3.3Å; R256-S320 WeakPolarHBondContact CA-O 3.44Å; R256-H614 PolarHBondContact NH2-ND1 3.18Å; R256-H614 PolarHBondContact NH2-O 3.3Å; R256-N617 PolarHBondContact NH1-O 3.07Å; R256-L618 VanDerWaalsContact NH1-CD2 3.29Å
257	L	88.3	Confident	83.1	Confident	0 Å²	0	28.9 Å²	28.9	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	124.5	176.4	-75.7	69.3	0	0	0	108.9	Q268 L269 L288 A292 F295 F319 S320 Q322	L257-Q268 WeakPolarHBondContact CA-O 3.4Å; L257-L269 HydrophobicContact CD1-CD1 3.51Å; L257-L269 HydrophobicContact CG-CD1 4Å; L257-L288 HydrophobicContact CD2-CD1 3.78Å; L257-L288 HydrophobicContact CD2-CG 4.35Å; L257-L288 HydrophobicContact CG-CD1 4.04Å; L257-A292 HydrophobicContact CD2-CB 3.62Å; L257-F295 HydrophobicContact CD1-CD2 3.92Å; L257-F295 HydrophobicContact CD1-CE2 4.18Å; L257-F295 HydrophobicContact CD2-CD2 4.26Å; L257-F319 HydrophobicContact CD1-CE2 3.72Å; L257-S320 PolarHBondContact N-O 3.43Å; L257-S320 VanDerWaalsContact N-O 3.1Å; L257-Q322 WeakPolarHBondContact O-CB 3.11Å; L257-Q322 PolarHBondContact O-N 2.97Å
258	F	84.1	Confident	83.2	Confident	17 Å²	17	30.3 Å²	30.3	8%	0.075	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	111.1	177	-57.2	-92.5	0	0	0	108.3	R256 G267 Q268 V270 Q322 Y597 L618 H621	R256-F258 HydrophobicContact CB-CD2 4.37Å; R256-F258 HydrophobicContact CB-CE2 3.55Å; R256-F258 HydrophobicContact CB-CZ 3.93Å; F258-G267 CarbonylContact O-C 3.56Å; F258-G267 VanDerWaalsContact O-CA 3.3Å; F258-G267 WeakPolarHBondContact O-CA 3.26Å; F258-Q268 HydrophobicContact CB-CB 4.46Å; F258-Q268 PolarHBondContact N-O 2.95Å; F258-Q268 PolarHBondContact O-N 3.04Å; F258-V270 HydrophobicContact CD2-CG2 3.96Å; F258-V270 HydrophobicContact CE2-CB 4.16Å; F258-V270 HydrophobicContact CE2-CG2 3.71Å; F258-Q322 HydrophobicContact CD1-CB 3.86Å; F258-Q322 HydrophobicContact CD1-CG 4.05Å; F258-Q322 HydrophobicContact CE1-CB 4.38Å; F258-Q322 HydrophobicContact CE1-CG 4.05Å; F258-Y597 HydrophobicContact CE1-CE1 4.17Å; F258-L618 HydrophobicContact CE1-CD2 4.16Å; F258-L618 HydrophobicContact CZ-CD2 3.86Å; F258-H621 VanDerWaalsContact CD1-O 3.3Å; F258-H621 WeakPolarHBondContact CD1-O 3.34Å; F258-H621 HydrophobicContact CE1-CB 4.39Å; F258-H621 WeakPolarHBondContact CE1-O 3.5Å; F258-H621 HydrophobicContact CE2-CB 4.33Å; F258-H621 HydrophobicContact CZ-CB 4.08Å
259	F	85.3	Confident	83.4	Confident	12 Å²	12	28.9 Å²	28.9	5%	0.053	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	144.1	177.3	-68.9	-65.6	0	0	0	111.6	C264 S266 L288 A292 I321 Q322 R323 P324	F259-C264 HydrophobicContact CB-CB 4.5Å; F259-C264 HydrophobicContact CD1-CB 3.7Å; F259-C264 VanDerWaalsContact CD1-O 3.26Å; F259-C264 WeakPolarHBondContact CD1-O 3.49Å; F259-C264 HydrophobicContact CD2-CB 4Å; F259-C264 HydrophobicContact CE1-CB 3.77Å; F259-C264 WeakPolarHBondContact CE1-O 3.17Å; F259-C264 HydrophobicContact CE2-CB 4.04Å; F259-C264 HydrophobicContact CG-CB 3.82Å; F259-C264 HydrophobicContact CZ-CB 3.93Å; F259-S266 WeakPolarHBondContact CA-O 3.37Å; F259-L288 HydrophobicContact CD1-CB 4.39Å; F259-L288 HydrophobicContact CD1-CD2 3.75Å; F259-L288 HydrophobicContact CD1-CG 3.98Å; F259-L288 HydrophobicContact CE1-CB 3.97Å; F259-L288 HydrophobicContact CE1-CD2 3.92Å; F259-L288 HydrophobicContact CE1-CG 3.61Å; F259-A292 HydrophobicContact CZ-CB 3.9Å; F259-I321 HydrophobicContact CD2-CG2 4.21Å; F259-I321 HydrophobicContact CE2-CG2 3.46Å; F259-I321 VanDerWaalsContact CE2-CG2 3.46Å; F259-I321 HydrophobicContact CZ-CG2 4.3Å; F259-Q322 WeakPolarHBondContact CD2-O 3.4Å; F259-Q322 PolarHBondContact N-O 3.43Å; F259-R323 HydrophobicContact CD2-CG 4.29Å; F259-P324 HydrophobicContact CB-CG 3.98Å
260	S	81.4	Confident	83.4	Confident	82 Å²	82	29.1 Å²	29.1	57%	0.573	17%	0.17	S	C	*	.			trans	-110.4	-8.4	-179.4	-63.2	0	0	0	0	114.5	S266 G267	S260-S266 PolarHBondContact N-O 3.13Å; S260-G267 WeakPolarHBondContact OG-CA 3.46Å
261	D	80.3	Confident	83.8	Confident	34 Å²	34	29.1 Å²	29.1	18%	0.182	17%	0.169	C	C	.	.	S	Bend	trans	-129.8	147.9	179.7	62.9	-59	0	0	0	112.1	A263 C264 T265 S266 P324	D261-A263 PolarHBondContact O-N 3.41Å; D261-A263 VanDerWaalsContact O-N 3.11Å; D261-A263 WeakPolarHBondContact OD2-CB 3.42Å; D261-C264 WeakPolarHBondContact O-CA 3.32Å; D261-C264 PolarHBondContact O-N 2.92Å; D261-C264 PolarHBondContact OD2-N 3.02Å; D261-T265 PolarHBondContact OD1-N 2.85Å; D261-T265 WeakPolarHBondContact OD2-CB 3.39Å; D261-T265 PolarHBondContact OD2-N 2.61Å; D261-T265 PolarHBondContact OD2-OG1 3.37Å; D261-S266 VanDerWaalsContact CG-OG 3.27Å; D261-S266 WeakPolarHBondContact OD1-CA 3.15Å; D261-S266 WeakPolarHBondContact OD1-CB 3.43Å; D261-S266 PolarHBondContact OD1-N 3.32Å; D261-S266 PolarHBondContact OD1-OG 3.2Å; D261-P324 WeakPolarHBondContact O-CG 3.48Å
262	D	77.3	Confident	83.8	Confident	100 Å²	100	25.3 Å²	25.3	54%	0.535	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-25	178.6	-78.7	16.9	0	0	0	112.8	C264 T325 R336	D262-C264 VanDerWaalsContact C-N 3.29Å; D262-T325 HydrophobicContact CB-CG2 4.12Å; D262-T325 WeakPolarHBondContact OD1-CG2 3.49Å; D262-R336 IonicContact OD2-NH2 3.52Å
263	A	79.5	Confident	83.7	Confident	73 Å²	73	24.5 Å²	24.5	60%	0.603	15%	0.149	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.7	-2.1	174.5	0	0	0	0	0	114.1	D261 T265	D261-A263 PolarHBondContact O-N 3.41Å; D261-A263 VanDerWaalsContact O-N 3.11Å; D261-A263 WeakPolarHBondContact OD2-CB 3.42Å; A263-T265 VanDerWaalsContact C-N 3.26Å; A263-T265 HydrophobicContact CB-CG2 3.89Å; A263-T265 WeakPolarHBondContact O-CG2 3.38Å; A263-T265 PolarHBondContact O-N 2.71Å
264	C	82.9	Confident	83.6	Confident	15 Å²	15	27.2 Å²	27.2	10%	0.101	16%	0.159	C	C	.	.	S	Bend	trans	56.4	32.5	178.5	-58.2	0	0	0	0	114.2	F259 D261 D262 D289	F259-C264 HydrophobicContact CB-CB 4.5Å; F259-C264 HydrophobicContact CD1-CB 3.7Å; F259-C264 VanDerWaalsContact CD1-O 3.26Å; F259-C264 WeakPolarHBondContact CD1-O 3.49Å; F259-C264 HydrophobicContact CD2-CB 4Å; F259-C264 HydrophobicContact CE1-CB 3.77Å; F259-C264 WeakPolarHBondContact CE1-O 3.17Å; F259-C264 HydrophobicContact CE2-CB 4.04Å; F259-C264 HydrophobicContact CG-CB 3.82Å; F259-C264 HydrophobicContact CZ-CB 3.93Å; D261-C264 WeakPolarHBondContact O-CA 3.32Å; D261-C264 PolarHBondContact O-N 2.92Å; D261-C264 PolarHBondContact OD2-N 3.02Å; D262-C264 VanDerWaalsContact C-N 3.29Å; C264-D289 WeakPolarHBondContact O-CB 3.47Å; C264-D289 PolarHBondContact O-N 3.21Å
265	T	84.8	Confident	83.3	Confident	46 Å²	46	33.6 Å²	33.6	28%	0.282	19%	0.189	S	C	.	.			trans	-93.5	-26	-176.2	68.4	0	0	0	0	112.8	D261 A263 A286 G287 L288	D261-T265 PolarHBondContact OD1-N 2.85Å; D261-T265 WeakPolarHBondContact OD2-CB 3.39Å; D261-T265 PolarHBondContact OD2-N 2.61Å; D261-T265 PolarHBondContact OD2-OG1 3.37Å; A263-T265 VanDerWaalsContact C-N 3.26Å; A263-T265 HydrophobicContact CB-CG2 3.89Å; A263-T265 WeakPolarHBondContact O-CG2 3.38Å; A263-T265 PolarHBondContact O-N 2.71Å; T265-A286 CarbonylContact O-C 3.52Å; T265-A286 VanDerWaalsContact O-C 3.29Å; T265-A286 WeakPolarHBondContact O-CA 2.94Å; T265-A286 PolarHBondContact O-N 2.74Å; T265-G287 PolarHBondContact O-N 3.23Å; T265-L288 PolarHBondContact O-N 2.76Å
266	S	87.6	Confident	82.5	Confident	21 Å²	21	35.5 Å²	35.5	15%	0.147	20%	0.202	C	C	.	.	S	Bend	trans	-127.9	162.7	-169.1	75.1	0	0	0	0	112.1	F259 S260 D261 F283	F259-S266 WeakPolarHBondContact CA-O 3.37Å; S260-S266 PolarHBondContact N-O 3.13Å; D261-S266 VanDerWaalsContact CG-OG 3.27Å; D261-S266 WeakPolarHBondContact OD1-CA 3.15Å; D261-S266 WeakPolarHBondContact OD1-CB 3.43Å; D261-S266 PolarHBondContact OD1-N 3.32Å; D261-S266 PolarHBondContact OD1-OG 3.2Å; S266-F283 CarbonylContact C-O 3.53Å; S266-F283 WeakPolarHBondContact CA-O 3.33Å; S266-F283 WeakPolarHBondContact CB-O 3.3Å
267	G	88.4	Confident	82.2	Confident	7 Å²	7	42 Å²	42	7%	0.072	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	141.6	-141.2	174.8	0	0	0	0	0	114	F258 S260 F283	F258-G267 CarbonylContact O-C 3.56Å; F258-G267 VanDerWaalsContact O-CA 3.3Å; F258-G267 WeakPolarHBondContact O-CA 3.26Å; S260-G267 WeakPolarHBondContact OG-CA 3.46Å; G267-F283 PolarHBondContact N-O 2.85Å; G267-F283 PolarHBondContact O-N 2.75Å
268	Q	89.9	Confident	81.8	Confident	48 Å²	48	46.5 Å²	46.5	22%	0.224	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	137.4	-174.6	-56.9	-175.8	11	0	0	111.8	L257 F258 I280 H621	L257-Q268 WeakPolarHBondContact CA-O 3.4Å; F258-Q268 HydrophobicContact CB-CB 4.46Å; F258-Q268 PolarHBondContact N-O 2.95Å; F258-Q268 PolarHBondContact O-N 3.04Å; Q268-I280 HydrophobicContact CB-CG2 4.33Å; Q268-I280 HydrophobicContact CG-CG2 4.48Å; Q268-H621 PolarHBondContact OE1-ND1 3.24Å
269	L	90.6	Very high	81.8	Confident	0 Å²	0	47.6 Å²	47.6	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	119.2	159.9	169.3	62.3	0	0	0	108.2	L79 L255 L257 I271 I280 L281 F283 L288 L291 F295	L79-L269 HydrophobicContact CD1-CD2 3.84Å; L255-L269 HydrophobicContact CD1-CD1 3.71Å; L255-L269 HydrophobicContact CG-CD1 4.23Å; L257-L269 HydrophobicContact CD1-CD1 3.51Å; L257-L269 HydrophobicContact CG-CD1 4Å; L269-I271 HydrophobicContact CD1-CG1 4.36Å; L269-I271 HydrophobicContact CD2-CD1 4.28Å; L269-I271 HydrophobicContact CD2-CG1 4.42Å; L269-I271 HydrophobicContact CG-CD1 4.43Å; L269-I271 HydrophobicContact CG-CG1 4.06Å; L269-I280 WeakPolarHBondContact O-CA 3.47Å; L269-L281 HydrophobicContact CB-CB 4.21Å; L269-L281 HydrophobicContact CD2-CD1 4.14Å; L269-L281 PolarHBondContact N-O 3.03Å; L269-L281 PolarHBondContact O-N 3.26Å; L269-F283 HydrophobicContact CB-CE2 3.95Å; L269-L288 HydrophobicContact CB-CD1 4.48Å; L269-L291 HydrophobicContact CD2-CD2 3.89Å; L269-F295 HydrophobicContact CD1-CE2 4.06Å; L269-F295 HydrophobicContact CD2-CE2 4.17Å; L269-F295 HydrophobicContact CD2-CZ 4.39Å
270	V	87.4	Confident	81.9	Confident	4 Å²	4	49.1 Å²	49.1	2%	0.024	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	123.5	175.6	-177.3	0	0	0	0	108.9	R256 F258 Y278 I280	R256-V270 HydrophobicContact CB-CB 4.42Å; R256-V270 PolarHBondContact N-O 3.34Å; R256-V270 PolarHBondContact O-N 3.3Å; F258-V270 HydrophobicContact CD2-CG2 3.96Å; F258-V270 HydrophobicContact CE2-CB 4.16Å; F258-V270 HydrophobicContact CE2-CG2 3.71Å; V270-Y278 HydrophobicContact CG1-CD1 4.22Å; V270-I280 HydrophobicContact CG1-CG1 4.48Å; V270-I280 HydrophobicContact CG2-CG1 4.26Å; V270-I280 HydrophobicContact CG2-CG2 4.25Å
271	I	86.8	Confident	82.3	Confident	3 Å²	3	45.2 Å²	45.2	2%	0.015	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	130.6	178.9	-47.4	175.8	0	0	0	108.1	L79 F245 V247 L249 M252 S254 L255 L269 Y278 K279 L281	L79-I271 HydrophobicContact CD1-CD1 3.84Å; L79-I271 HydrophobicContact CD2-CD1 3.81Å; L79-I271 HydrophobicContact CG-CD1 4.43Å; F245-I271 HydrophobicContact CE1-CD1 3.97Å; F245-I271 HydrophobicContact CZ-CD1 4.5Å; V247-I271 HydrophobicContact CG1-CD1 4.47Å; L249-I271 HydrophobicContact CD2-CD1 4.33Å; L249-I271 HydrophobicContact CD2-CG2 4.21Å; M252-I271 HydrophobicContact CB-CG2 4.41Å; M252-I271 HydrophobicContact CG-CG2 3.79Å; M252-I271 HydrophobicContact SD-CG2 4.11Å; S254-I271 WeakPolarHBondContact O-CA 3.32Å; L255-I271 HydrophobicContact CD1-CG1 4.01Å; L269-I271 HydrophobicContact CD1-CG1 4.36Å; L269-I271 HydrophobicContact CD2-CD1 4.28Å; L269-I271 HydrophobicContact CD2-CG1 4.42Å; L269-I271 HydrophobicContact CG-CD1 4.43Å; L269-I271 HydrophobicContact CG-CG1 4.06Å; I271-Y278 WeakPolarHBondContact O-CA 3.47Å; I271-K279 PolarHBondContact N-O 3.15Å; I271-K279 PolarHBondContact O-N 3.36Å; I271-L281 HydrophobicContact CD1-CD1 4.03Å
272	A	81.1	Confident	82.8	Confident	0 Å²	0	44.3 Å²	44.3	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	130.6	179.5	0	0	0	0	0	112.4	R253 S254 Q277 Y278	R253-A272 PolarHBondContact N-O 3.4Å; S254-A272 PolarHBondContact N-O 3.05Å; S254-A272 PolarHBondContact O-N 3.29Å; S254-A272 VanDerWaalsContact OG-CB 3.23Å; S254-A272 WeakPolarHBondContact OG-CB 3.35Å; A272-Q277 WeakPolarHBondContact CA-O 3.28Å; A272-Y278 HydrophobicContact CB-CD1 3.71Å; A272-Y278 HydrophobicContact CB-CE1 3.4Å; A272-Y278 VanDerWaalsContact CB-CE1 3.4Å
273	S	79.8	Confident	83.5	Confident	12 Å²	12	39.7 Å²	39.7	8%	0.084	21%	0.206	C	C	.	.			trans	-74.5	168.7	171.9	86.9	0	0	0	0	112.3	R253 E275 S276 Q277	R253-S273 WeakPolarHBondContact CB-O 3.47Å; R253-S273 PolarHBondContact NH1-O 2.99Å; S273-E275 WeakPolarHBondContact CB-OE2 3.37Å; S273-E275 PolarHBondContact O-N 3.39Å; S273-E275 PolarHBondContact OG-N 3.49Å; S273-E275 PolarHBondContact OG-OE2 2.83Å; S273-S276 PolarHBondContact O-N 2.76Å; S273-Q277 PolarHBondContact N-O 3.16Å; S273-Q277 PolarHBondContact OG-N 2.94Å; S273-Q277 VanDerWaalsContact OG-N 3.14Å
274	R	73.2	Confident	83.9	Confident	92 Å²	92	39.3 Å²	39.3	35%	0.347	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-29.9	175.1	-65.3	-171.5	-177.7	-157.1	0.9	111.2	H251 R253 S276 E313	H251-R274 PolarHBondContact O-NE 3.36Å; R253-R274 PolarHBondContact NH1-O 3.45Å; R274-S276 PolarHBondContact O-N 3.29Å; R274-E313 IonicContact CZ-OE2 2.73Å; R274-E313 IonicContact NH1-OE2 3.67Å; R274-E313 PolarHBondContact NH1-OE2 3.11Å; R274-E313 VanDerWaalsContact NH1-OE2 3.14Å; R274-E313 IonicContact NH2-OE2 3.74Å; R274-E313 PolarHBondContact NH2-OE2 2.86Å
275	E	71.8	Confident	83.9	Confident	134 Å²	134	45.4 Å²	45.4	63%	0.626	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.2	9.9	-178.7	-45.8	69.5	-149.4	0	0	114.3	S273 Q277	S273-E275 WeakPolarHBondContact CB-OE2 3.37Å; S273-E275 PolarHBondContact O-N 3.39Å; S273-E275 PolarHBondContact OG-N 3.49Å; S273-E275 PolarHBondContact OG-OE2 2.83Å; E275-Q277 PolarHBondContact O-N 2.82Å
276	S	67.8	Low	83.8	Confident	41 Å²	41	45.2 Å²	45.2	29%	0.287	22%	0.222	S	C	.	.	S	Bend	trans	64.3	29.6	-176	-57	0	0	0	0	115.5	R253 S273 R274 Y278	R253-S276 VanDerWaalsContact NH1-N 3.16Å; R253-S276 PolarHBondContact NH1-OG 2.91Å; R253-S276 PolarHBondContact NH2-OG 3.42Å; S273-S276 PolarHBondContact O-N 2.76Å; R274-S276 PolarHBondContact O-N 3.29Å; S276-Y278 WeakPolarHBondContact O-CD2 3.5Å; S276-Y278 WeakPolarHBondContact O-CE2 3.37Å
277	Q	76.9	Confident	83.7	Confident	142 Å²	142	44.7 Å²	44.7	66%	0.664	22%	0.22	S	C	*	.			trans	-86.2	136.3	166.3	-59.4	-173.9	-1.3	0	0	110	A272 S273 E275	A272-Q277 WeakPolarHBondContact CA-O 3.28Å; S273-Q277 PolarHBondContact N-O 3.16Å; S273-Q277 PolarHBondContact OG-N 2.94Å; S273-Q277 VanDerWaalsContact OG-N 3.14Å; E275-Q277 PolarHBondContact O-N 2.82Å
278	Y	80.6	Confident	83.7	Confident	93 Å²	93	44.4 Å²	44.4	37%	0.365	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	140.7	-175.5	-60.3	-73.3	0	0	0	112.6	R253 V270 I271 A272 S276 N617	R253-Y278 PolarHBondContact NH2-OH 3.04Å; V270-Y278 HydrophobicContact CG1-CD1 4.22Å; I271-Y278 WeakPolarHBondContact O-CA 3.47Å; A272-Y278 HydrophobicContact CB-CD1 3.71Å; A272-Y278 HydrophobicContact CB-CE1 3.4Å; A272-Y278 VanDerWaalsContact CB-CE1 3.4Å; S276-Y278 WeakPolarHBondContact O-CD2 3.5Å; S276-Y278 WeakPolarHBondContact O-CE2 3.37Å; Y278-N617 PolarHBondContact OH-ND2 3.47Å; Y278-N617 VanDerWaalsContact OH-ND2 3.07Å; Y278-N617 PolarHBondContact OH-OD1 3.24Å
279	K	84.4	Confident	83.5	Confident	40 Å²	40	44.3 Å²	44.3	17%	0.174	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	126	161.2	-158.4	73.1	175.3	178.9	0	109.2	L241 F245 I271	L241-K279 PolarHBondContact O-NZ 2.87Å; F245-K279 HydrophobicContact CD1-CG 4.11Å; F245-K279 HydrophobicContact CD2-CB 4.4Å; F245-K279 HydrophobicContact CD2-CD 4.05Å; F245-K279 HydrophobicContact CD2-CG 3.97Å; F245-K279 HydrophobicContact CE1-CB 4.06Å; F245-K279 HydrophobicContact CE1-CG 4Å; F245-K279 HydrophobicContact CE2-CB 3.77Å; F245-K279 HydrophobicContact CE2-CD 4.21Å; F245-K279 HydrophobicContact CE2-CG 3.86Å; F245-K279 HydrophobicContact CG-CD 4.42Å; F245-K279 HydrophobicContact CG-CG 4.1Å; F245-K279 HydrophobicContact CZ-CB 3.58Å; F245-K279 HydrophobicContact CZ-CG 3.87Å; I271-K279 PolarHBondContact N-O 3.15Å; I271-K279 PolarHBondContact O-N 3.36Å
280	I	87.3	Confident	83.4	Confident	44 Å²	44	48.9 Å²	48.9	23%	0.226	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	133.3	178	-49.9	178.9	0	0	0	108.3	Q268 L269 V270 H282 H621	Q268-I280 HydrophobicContact CB-CG2 4.33Å; Q268-I280 HydrophobicContact CG-CG2 4.48Å; L269-I280 WeakPolarHBondContact O-CA 3.47Å; V270-I280 HydrophobicContact CG1-CG1 4.48Å; V270-I280 HydrophobicContact CG2-CG1 4.26Å; V270-I280 HydrophobicContact CG2-CG2 4.25Å; I280-H282 WeakPolarHBondContact CG2-NE2 3.15Å; I280-H621 WeakPolarHBondContact CD1-CE1 3.4Å
281	L	90.6	Very high	83.5	Confident	0 Å²	0	48.7 Å²	48.7	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	114.3	-177.7	-69.8	170.9	0	0	0	108.8	V44 V46 L63 L79 W81 L269 I271 F283	V44-L281 HydrophobicContact CG1-CB 3.8Å; V44-L281 HydrophobicContact CG1-CD2 4.2Å; V46-L281 HydrophobicContact CG2-CD2 3.83Å; L63-L281 HydrophobicContact CD1-CD1 3.92Å; L79-L281 HydrophobicContact CD2-CD1 4.05Å; W81-L281 HydrophobicContact CB-CD2 4.24Å; W81-L281 HydrophobicContact CD2-CD2 4.35Å; W81-L281 HydrophobicContact CG-CD2 3.83Å; L269-L281 HydrophobicContact CB-CB 4.21Å; L269-L281 HydrophobicContact CD2-CD1 4.14Å; L269-L281 PolarHBondContact N-O 3.03Å; L269-L281 PolarHBondContact O-N 3.26Å; I271-L281 HydrophobicContact CD1-CD1 4.03Å; L281-F283 HydrophobicContact CB-CE2 4.35Å; L281-F283 WeakPolarHBondContact O-CD2 3.33Å
282	H	90.7	Very high	83.4	Confident	15 Å²	15	49 Å²	49	7%	0.069	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	126	-173	-60.2	-96.3	0	0	0	111.3	V44 C45 H47 I280	V44-H282 WeakPolarHBondContact CA-O 3.3Å; C45-H282 HydrophobicContact CB-CB 4.33Å; C45-H282 PolarHBondContact N-O 3.1Å; C45-H282 PolarHBondContact O-CD2 2.92Å; C45-H282 PolarHBondContact O-N 2.85Å; H47-H282 AromaticContact CD2-CD2 3.57Å; H47-H282 AromaticContact CD2-CG 3.95Å; H47-H282 AromaticContact CE1-CE1 3.39Å; H47-H282 PolarHBondContact CE1-CE1 2.93Å; H47-H282 AromaticContact CE1-ND1 3.84Å; H47-H282 AromaticContact CE1-NE2 3.49Å; H47-H282 PolarHBondContact CE1-NE2 3.09Å; H47-H282 AromaticContact CG-CD2 3.6Å; H47-H282 AromaticContact CG-NE2 3.62Å; H47-H282 AromaticContact ND1-CD2 3.64Å; H47-H282 AromaticContact ND1-CE1 3.55Å; H47-H282 AromaticContact ND1-CG 3.83Å; H47-H282 AromaticContact ND1-ND1 3.77Å; H47-H282 AromaticContact ND1-NE2 3.47Å; H47-H282 PolarHBondContact ND1-NE2 3.15Å; H47-H282 AromaticContact NE2-CE1 3.77Å; H47-H282 AromaticContact NE2-CG 3.48Å; H47-H282 AromaticContact NE2-ND1 3.27Å; H47-H282 PolarHBondContact NE2-ND1 3.25Å; I280-H282 WeakPolarHBondContact CG2-NE2 3.15Å
283	F	92	Very high	83.6	Confident	3 Å²	3	53.9 Å²	53.9	1%	0.013	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	93.9	179.1	-74	-108.2	0	0	0	109	F39 K41 V44 L63 S266 G267 L269 L281 L288 L291	F39-F283 HydrophobicContact CE1-CE1 4.47Å; F39-F283 HydrophobicContact CZ-CE1 4.18Å; K41-F283 HydrophobicContact CG-CE1 4.29Å; V44-F283 HydrophobicContact CG1-CD2 4.06Å; V44-F283 HydrophobicContact CG1-CE2 3.73Å; V44-F283 HydrophobicContact CG1-CZ 4.02Å; V44-F283 HydrophobicContact CG2-CD1 4.11Å; V44-F283 HydrophobicContact CG2-CE1 3.73Å; V44-F283 HydrophobicContact CG2-CE2 4.36Å; V44-F283 HydrophobicContact CG2-CZ 3.87Å; L63-F283 HydrophobicContact CD2-CE1 4.31Å; L63-F283 HydrophobicContact CD2-CE2 4.28Å; L63-F283 HydrophobicContact CD2-CZ 3.49Å; L63-F283 VanDerWaalsContact CD2-CZ 3.49Å; S266-F283 CarbonylContact C-O 3.53Å; S266-F283 WeakPolarHBondContact CA-O 3.33Å; S266-F283 WeakPolarHBondContact CB-O 3.3Å; G267-F283 PolarHBondContact N-O 2.85Å; G267-F283 PolarHBondContact O-N 2.75Å; L269-F283 HydrophobicContact CB-CE2 3.95Å; L281-F283 HydrophobicContact CB-CE2 4.35Å; L281-F283 WeakPolarHBondContact O-CD2 3.33Å; F283-L288 HydrophobicContact CB-CB 4.05Å; F283-L288 HydrophobicContact CB-CD2 4.43Å; F283-L288 HydrophobicContact CD1-CB 4Å; F283-L288 HydrophobicContact CD1-CD1 4.41Å; F283-L288 HydrophobicContact CD2-CD1 3.83Å; F283-L288 HydrophobicContact CE1-CD1 4.46Å; F283-L288 HydrophobicContact CE2-CD1 3.92Å; F283-L288 HydrophobicContact CG-CB 3.96Å; F283-L288 HydrophobicContact CG-CD1 4.1Å; F283-L288 HydrophobicContact CG-CG 4.44Å; F283-L288 HydrophobicContact CZ-CD1 4.23Å; F283-L291 HydrophobicContact CE1-CD2 4.08Å; F283-L291 HydrophobicContact CE2-CD2 4.24Å; F283-L291 HydrophobicContact CZ-CD2 3.43Å; F283-L291 VanDerWaalsContact CZ-CD2 3.43Å
284	H	86.6	Confident	83.9	Confident	66 Å²	66	53.6 Å²	53.6	31%	0.306	26%	0.259	S	S	.	.	S	Bend	trans	-79.5	-21.6	-178.5	-65.8	-28.6	0	0	0	114.1	H47 H58	H47-H284 AromaticContact NE2-CE1 3.24Å; H47-H284 PolarHBondContact NE2-CE1 3.43Å; H47-H284 AromaticContact NE2-NE2 3.85Å; H58-H284 AromaticContact CD2-NE2 3.69Å; H58-H284 AromaticContact CE1-CE1 3.83Å; H58-H284 AromaticContact CE1-NE2 3.35Å; H58-H284 PolarHBondContact CE1-NE2 3.3Å; H58-H284 AromaticContact CG-NE2 3.59Å; H58-H284 AromaticContact ND1-NE2 3.37Å; H58-H284 PolarHBondContact ND1-NE2 2.89Å; H58-H284 AromaticContact NE2-NE2 3.51Å
285	H	83.4	Confident	84.5	Confident	142 Å²	142	49.2 Å²	49.2	66%	0.657	24%	0.243	S	C	*	.	S	Bend	trans	-148.2	71.7	-165.6	-61.3	99.8	0	0	0	113.5	K41	K41-H285 PolarHBondContact NZ-O 2.92Å
286	A	83.7	Confident	85	Confident	43 Å²	43	48.2 Å²	48.2	36%	0.355	24%	0.238	S	C	.	.	S	Bend	trans	64.5	156.8	177.3	0	0	0	0	0	117.4	K41 T265	K41-A286 WeakPolarHBondContact CE-O 3.46Å; K41-A286 PolarHBondContact NZ-O 3.37Å; T265-A286 CarbonylContact O-C 3.52Å; T265-A286 VanDerWaalsContact O-C 3.29Å; T265-A286 WeakPolarHBondContact O-CA 2.94Å; T265-A286 PolarHBondContact O-N 2.74Å
287	G	84.4	Confident	85.6	Confident	10 Å²	10	50.7 Å²	50.7	10%	0.103	25%	0.245	C	C	.	.			trans	103.6	-5.9	176.6	0	0	0	0	0	114.8	F39 T265 D289 L291	F39-G287 VanDerWaalsContact CE2-O 3.28Å; F39-G287 WeakPolarHBondContact CE2-O 3.35Å; F39-G287 VanDerWaalsContact CZ-O 3.32Å; F39-G287 WeakPolarHBondContact CZ-O 3.33Å; T265-G287 PolarHBondContact O-N 3.23Å; G287-D289 VanDerWaalsContact C-N 3.3Å; G287-D289 VanDerWaalsContact C-OD1 3.3Å; G287-D289 WeakPolarHBondContact CA-OD1 3.28Å; G287-D289 PolarHBondContact N-OD1 3.04Å; G287-L291 WeakPolarHBondContact O-CB 3.33Å; G287-L291 PolarHBondContact O-N 3.1Å
288	L	89	Confident	85.7	Confident	0 Å²	0	44.5 Å²	44.5	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-72.2	-30.8	170.3	-169.2	57.9	0	0	0	110.9	L257 F259 T265 L269 F283 L291 A292	L257-L288 HydrophobicContact CD2-CD1 3.78Å; L257-L288 HydrophobicContact CD2-CG 4.35Å; L257-L288 HydrophobicContact CG-CD1 4.04Å; F259-L288 HydrophobicContact CD1-CB 4.39Å; F259-L288 HydrophobicContact CD1-CD2 3.75Å; F259-L288 HydrophobicContact CD1-CG 3.98Å; F259-L288 HydrophobicContact CE1-CB 3.97Å; F259-L288 HydrophobicContact CE1-CD2 3.92Å; F259-L288 HydrophobicContact CE1-CG 3.61Å; T265-L288 PolarHBondContact O-N 2.76Å; L269-L288 HydrophobicContact CB-CD1 4.48Å; F283-L288 HydrophobicContact CB-CB 4.05Å; F283-L288 HydrophobicContact CB-CD2 4.43Å; F283-L288 HydrophobicContact CD1-CB 4Å; F283-L288 HydrophobicContact CD1-CD1 4.41Å; F283-L288 HydrophobicContact CD2-CD1 3.83Å; F283-L288 HydrophobicContact CE1-CD1 4.46Å; F283-L288 HydrophobicContact CE2-CD1 3.92Å; F283-L288 HydrophobicContact CG-CB 3.96Å; F283-L288 HydrophobicContact CG-CD1 4.1Å; F283-L288 HydrophobicContact CG-CG 4.44Å; F283-L288 HydrophobicContact CZ-CD1 4.23Å; L288-L291 PolarHBondContact O-N 3.23Å; L288-A292 WeakPolarHBondContact O-CB 3.31Å; L288-A292 PolarHBondContact O-N 2.71Å
289	D	85.9	Confident	85.5	Confident	46 Å²	46	42.6 Å²	42.6	25%	0.246	21%	0.209	C	C	.	.	H	α-helix	trans	-49.4	-62	167.2	48.8	-54	0	0	0	111.5	C264 G287 L291 A292 E293	C264-D289 WeakPolarHBondContact O-CB 3.47Å; C264-D289 PolarHBondContact O-N 3.21Å; G287-D289 VanDerWaalsContact C-N 3.3Å; G287-D289 VanDerWaalsContact C-OD1 3.3Å; G287-D289 WeakPolarHBondContact CA-OD1 3.28Å; G287-D289 PolarHBondContact N-OD1 3.04Å; D289-L291 VanDerWaalsContact C-N 3.26Å; D289-L291 PolarHBondContact O-N 2.99Å; D289-A292 WeakPolarHBondContact O-CB 3.38Å; D289-A292 PolarHBondContact O-N 2.49Å; D289-A292 VanDerWaalsContact O-N 3.14Å; D289-E293 PolarHBondContact O-N 2.83Å; D289-E293 VanDerWaalsContact O-N 3.08Å
290	K	88	Confident	84.9	Confident	97 Å²	97	44.1 Å²	44.1	42%	0.422	22%	0.224	S	C	.	.	H	α-helix	trans	-66.9	-27.3	-178.2	-54.1	-168.6	179.4	-170.6	0	113.2	L18 F39 V294	L18-K290 HydrophobicContact CD1-CB 4.38Å; L18-K290 HydrophobicContact CD1-CD 4.36Å; F39-K290 HydrophobicContact CD2-CB 4.44Å; F39-K290 HydrophobicContact CE2-CB 4.12Å; K290-V294 WeakPolarHBondContact O-CG2 3.43Å; K290-V294 PolarHBondContact O-N 2.86Å; K290-V294 VanDerWaalsContact O-N 3.1Å
291	L	88.6	Confident	84	Confident	0 Å²	0	43.9 Å²	43.9	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-73.9	-36	175.4	-171.6	54.2	0	0	0	111.7	F39 L63 V65 L269 F283 G287 L288 D289 V294 F295	F39-L291 HydrophobicContact CB-CD1 4.4Å; F39-L291 HydrophobicContact CD1-CD1 3.9Å; F39-L291 HydrophobicContact CD2-CB 4.23Å; F39-L291 HydrophobicContact CD2-CD1 4.21Å; F39-L291 HydrophobicContact CE1-CB 4.38Å; F39-L291 HydrophobicContact CE1-CD1 4.19Å; F39-L291 HydrophobicContact CE1-CD2 4.14Å; F39-L291 HydrophobicContact CE1-CG 4.49Å; F39-L291 HydrophobicContact CE2-CB 3.79Å; F39-L291 HydrophobicContact CE2-CD1 4.47Å; F39-L291 HydrophobicContact CG-CD1 3.91Å; F39-L291 HydrophobicContact CZ-CB 3.88Å; F39-L291 HydrophobicContact CZ-CD1 4.47Å; F39-L291 HydrophobicContact CZ-CD2 4.32Å; F39-L291 HydrophobicContact CZ-CG 4.46Å; L63-L291 HydrophobicContact CD2-CD2 4.02Å; V65-L291 HydrophobicContact CG2-CD1 4.04Å; L269-L291 HydrophobicContact CD2-CD2 3.89Å; F283-L291 HydrophobicContact CE1-CD2 4.08Å; F283-L291 HydrophobicContact CE2-CD2 4.24Å; F283-L291 HydrophobicContact CZ-CD2 3.43Å; F283-L291 VanDerWaalsContact CZ-CD2 3.43Å; G287-L291 WeakPolarHBondContact O-CB 3.33Å; G287-L291 PolarHBondContact O-N 3.1Å; L288-L291 PolarHBondContact O-N 3.23Å; D289-L291 VanDerWaalsContact C-N 3.26Å; D289-L291 PolarHBondContact O-N 2.99Å; L291-V294 PolarHBondContact O-N 2.95Å; L291-F295 HydrophobicContact CD1-CD1 4.44Å; L291-F295 HydrophobicContact CD1-CD2 4.24Å; L291-F295 HydrophobicContact CD1-CE1 3.87Å; L291-F295 HydrophobicContact CD1-CE2 3.69Å; L291-F295 HydrophobicContact CD1-CZ 3.49Å; L291-F295 VanDerWaalsContact CD1-CZ 3.49Å; L291-F295 HydrophobicContact CD2-CE2 4Å; L291-F295 HydrophobicContact CD2-CZ 4.23Å; L291-F295 HydrophobicContact CG-CD2 4.02Å; L291-F295 HydrophobicContact CG-CE2 3.49Å; L291-F295 VanDerWaalsContact CG-CE2 3.49Å; L291-F295 HydrophobicContact CG-CZ 3.83Å; L291-F295 VanDerWaalsContact O-CD2 3.31Å; L291-F295 WeakPolarHBondContact O-CD2 3.46Å; L291-F295 WeakPolarHBondContact O-CG 3.42Å; L291-F295 PolarHBondContact O-N 3.18Å
292	A	86.6	Confident	82.9	Confident	8 Å²	8	46.1 Å²	46.1	7%	0.066	23%	0.234	C	C	.	.	H	α-helix	trans	-63.1	-42.1	170.9	0	0	0	0	0	111.5	L257 F259 L288 D289 F295 Q296 I321	L257-A292 HydrophobicContact CD2-CB 3.62Å; F259-A292 HydrophobicContact CZ-CB 3.9Å; L288-A292 WeakPolarHBondContact O-CB 3.31Å; L288-A292 PolarHBondContact O-N 2.71Å; D289-A292 WeakPolarHBondContact O-CB 3.38Å; D289-A292 PolarHBondContact O-N 2.49Å; D289-A292 VanDerWaalsContact O-N 3.14Å; A292-F295 PolarHBondContact O-N 3.01Å; A292-Q296 VanDerWaalsContact O-CB 3.26Å; A292-Q296 WeakPolarHBondContact O-CB 3.41Å; A292-Q296 PolarHBondContact O-N 2.73Å; A292-I321 HydrophobicContact CB-CD1 4.26Å
293	E	84.9	Confident	81.8	Confident	104 Å²	104	51.6 Å²	51.6	49%	0.486	26%	0.26	S	S	.	.	H	α-helix	trans	-57.9	-48.6	173.7	-67.6	176.7	156.2	0	0	111.9	D289 F295 Q296 Q297	D289-E293 PolarHBondContact O-N 2.83Å; D289-E293 VanDerWaalsContact O-N 3.08Å; E293-F295 PolarHBondContact O-N 2.86Å; E293-Q296 PolarHBondContact O-N 3.5Å; E293-Q297 WeakPolarHBondContact O-CB 3.36Å; E293-Q297 VanDerWaalsContact O-CG 3.31Å; E293-Q297 WeakPolarHBondContact O-CG 3.26Å; E293-Q297 PolarHBondContact O-N 3.26Å
294	V	84.9	Confident	80.2	Confident	6 Å²	6	56.4 Å²	56.4	4%	0.036	29%	0.29	C	S	.	.	H	α-helix	trans	-56.9	-48	176.6	163.8	0	0	0	0	112	L18 I38 F39 L77 K290 L291 Q297 W298	L18-V294 HydrophobicContact CD2-CG2 3.35Å; I38-V294 HydrophobicContact CD1-CG1 3.58Å; I38-V294 HydrophobicContact CG1-CG1 4.26Å; F39-V294 HydrophobicContact CB-CG2 4.45Å; L77-V294 HydrophobicContact CD1-CG1 4.09Å; K290-V294 WeakPolarHBondContact O-CG2 3.43Å; K290-V294 PolarHBondContact O-N 2.86Å; K290-V294 VanDerWaalsContact O-N 3.1Å; L291-V294 PolarHBondContact O-N 2.95Å; V294-Q297 PolarHBondContact O-N 3.17Å; V294-W298 WeakPolarHBondContact O-CB 3.31Å; V294-W298 PolarHBondContact O-N 2.93Å
295	F	86.4	Confident	78.8	Confident	0 Å²	0	57.7 Å²	57.7	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-71.1	-32.8	-179.6	-63.9	-33.1	0	0	0	112.7	L77 L79 L249 L255 L257 L269 L291 A292 E293 W298 K299 F319	L77-F295 HydrophobicContact CD1-CD1 3.82Å; L77-F295 HydrophobicContact CD1-CE1 4.08Å; L79-F295 HydrophobicContact CD1-CZ 4.31Å; L249-F295 HydrophobicContact CD1-CD1 4.29Å; L249-F295 HydrophobicContact CD1-CE1 3.38Å; L249-F295 HydrophobicContact CD1-CZ 3.73Å; L255-F295 HydrophobicContact CD1-CE2 4.23Å; L255-F295 HydrophobicContact CD1-CZ 4.31Å; L255-F295 HydrophobicContact CD2-CB 4.4Å; L255-F295 HydrophobicContact CD2-CD1 3.98Å; L255-F295 HydrophobicContact CD2-CD2 3.8Å; L255-F295 HydrophobicContact CD2-CE1 4.09Å; L255-F295 HydrophobicContact CD2-CE2 3.88Å; L255-F295 HydrophobicContact CD2-CG 3.82Å; L255-F295 HydrophobicContact CD2-CZ 4.03Å; L255-F295 HydrophobicContact CG-CD2 4.37Å; L255-F295 HydrophobicContact CG-CE2 4.22Å; L257-F295 HydrophobicContact CD1-CD2 3.92Å; L257-F295 HydrophobicContact CD1-CE2 4.18Å; L257-F295 HydrophobicContact CD2-CD2 4.26Å; L269-F295 HydrophobicContact CD1-CE2 4.06Å; L269-F295 HydrophobicContact CD2-CE2 4.17Å; L269-F295 HydrophobicContact CD2-CZ 4.39Å; L291-F295 HydrophobicContact CD1-CD1 4.44Å; L291-F295 HydrophobicContact CD1-CD2 4.24Å; L291-F295 HydrophobicContact CD1-CE1 3.87Å; L291-F295 HydrophobicContact CD1-CE2 3.69Å; L291-F295 HydrophobicContact CD1-CZ 3.49Å; L291-F295 VanDerWaalsContact CD1-CZ 3.49Å; L291-F295 HydrophobicContact CD2-CE2 4Å; L291-F295 HydrophobicContact CD2-CZ 4.23Å; L291-F295 HydrophobicContact CG-CD2 4.02Å; L291-F295 HydrophobicContact CG-CE2 3.49Å; L291-F295 VanDerWaalsContact CG-CE2 3.49Å; L291-F295 HydrophobicContact CG-CZ 3.83Å; L291-F295 VanDerWaalsContact O-CD2 3.31Å; L291-F295 WeakPolarHBondContact O-CD2 3.46Å; L291-F295 WeakPolarHBondContact O-CG 3.42Å; L291-F295 PolarHBondContact O-N 3.18Å; A292-F295 PolarHBondContact O-N 3.01Å; E293-F295 PolarHBondContact O-N 2.86Å; F295-W298 PolarHBondContact O-N 3.38Å; F295-K299 PolarHBondContact O-N 3.22Å; F295-F319 HydrophobicContact CB-CD2 4.24Å; F295-F319 HydrophobicContact CB-CE1 4.12Å; F295-F319 HydrophobicContact CB-CE2 3.39Å; F295-F319 HydrophobicContact CB-CZ 3.31Å; F295-F319 AromaticContact CD2-CE2 3.89Å; F295-F319 HydrophobicContact CD2-CE2 3.89Å; F295-F319 HydrophobicContact CD2-CZ 4.44Å; F295-F319 HydrophobicContact CG-CE2 4.03Å; F295-F319 HydrophobicContact CG-CZ 4.37Å
296	Q	82.4	Confident	77.1	Confident	112 Å²	112	56 Å²	56	52%	0.523	30%	0.298	S	S	.	.	H	α-helix	trans	-69.7	-39.8	175.2	-170.9	171.1	5.6	0	0	111.9	A292 E293 W298 K299 C300 F319 I321	A292-Q296 VanDerWaalsContact O-CB 3.26Å; A292-Q296 WeakPolarHBondContact O-CB 3.41Å; A292-Q296 PolarHBondContact O-N 2.73Å; E293-Q296 PolarHBondContact O-N 3.5Å; Q296-W298 VanDerWaalsContact C-N 3.32Å; Q296-K299 PolarHBondContact O-N 2.92Å; Q296-C300 PolarHBondContact O-N 2.87Å; Q296-C300 VanDerWaalsContact O-N 3.16Å; Q296-F319 HydrophobicContact CB-CE1 4.44Å; Q296-I321 HydrophobicContact CB-CD1 4.45Å
297	Q	79.7	Confident	75.4	Confident	93 Å²	93	63.7 Å²	63.7	44%	0.435	32%	0.323	S	S	.	.	H	α-helix	trans	-60.2	-43	169.7	-71.7	175.9	15.4	0	0	111.1	E293 V294 C300 C301	E293-Q297 WeakPolarHBondContact O-CB 3.36Å; E293-Q297 VanDerWaalsContact O-CG 3.31Å; E293-Q297 WeakPolarHBondContact O-CG 3.26Å; E293-Q297 PolarHBondContact O-N 3.26Å; V294-Q297 PolarHBondContact O-N 3.17Å; Q297-C300 PolarHBondContact O-N 3.06Å; Q297-C301 WeakPolarHBondContact O-CB 3.25Å; Q297-C301 PolarHBondContact O-N 2.78Å; Q297-C301 PolarHBondContact O-SG 3.47Å
298	W	79.7	Confident	73.5	Confident	13 Å²	13	70 Å²	70	5%	0.049	36%	0.355	C	S	.	.	H	α-helix	trans	-66.2	-42	178	-178.9	56.5	0	0	0	113.4	S75 L77 L249 L255 V294 F295 Q296 C300 C301 R302 M317	S75-W298 PolarHBondContact O-NE1 3.11Å; L77-W298 HydrophobicContact CB-CD2 4.36Å; L77-W298 HydrophobicContact CB-CZ2 4.31Å; L77-W298 HydrophobicContact CD1-CB 3.8Å; L77-W298 HydrophobicContact CD1-CD2 3.59Å; L77-W298 HydrophobicContact CD1-CE3 3.81Å; L77-W298 HydrophobicContact CD1-CG 3.6Å; L77-W298 HydrophobicContact CG-CB 4.42Å; L77-W298 HydrophobicContact CG-CD2 3.68Å; L77-W298 HydrophobicContact CG-CE3 4.24Å; L77-W298 HydrophobicContact CG-CG 3.76Å; L77-W298 HydrophobicContact CG-CZ2 4.38Å; L249-W298 HydrophobicContact CB-CH2 3.64Å; L249-W298 HydrophobicContact CB-CZ3 3.94Å; L255-W298 HydrophobicContact CD2-CZ3 4.31Å; V294-W298 WeakPolarHBondContact O-CB 3.31Å; V294-W298 PolarHBondContact O-N 2.93Å; F295-W298 PolarHBondContact O-N 3.38Å; Q296-W298 VanDerWaalsContact C-N 3.32Å; W298-C300 PolarHBondContact O-N 3.32Å; W298-C301 PolarHBondContact O-N 2.81Å; W298-R302 WeakPolarHBondContact O-CG 3.25Å; W298-R302 PolarHBondContact O-N 3.42Å; W298-M317 HydrophobicContact CE3-CE 4.21Å; W298-M317 HydrophobicContact CH2-CE 3.94Å; W298-M317 HydrophobicContact CZ3-CE 3.51Å; W298-M317 HydrophobicContact CZ3-SD 4.29Å
299	K	76.8	Confident	71.3	Confident	53 Å²	53	79.3 Å²	79.3	23%	0.23	40%	0.398	C	S	.	.	H	α-helix	trans	-55.2	-52.1	172.5	179.1	168.3	176.6	177.9	0	110.2	F295 Q296 C301 R302 E303 F319 E603	F295-K299 PolarHBondContact O-N 3.22Å; Q296-K299 PolarHBondContact O-N 2.92Å; K299-C301 PolarHBondContact O-N 2.73Å; K299-R302 PolarHBondContact O-N 2.94Å; K299-R302 VanDerWaalsContact O-N 3.1Å; K299-E303 WeakPolarHBondContact CE-OE1 3.48Å; K299-E303 HydrophobicContact CG-CG 4.4Å; K299-E303 VanDerWaalsContact CG-OE1 3.27Å; K299-E303 WeakPolarHBondContact CG-OE1 3.36Å; K299-E303 IonicContact NZ-OE1 3.81Å; K299-E303 WeakPolarHBondContact O-CG 3.2Å; K299-E303 PolarHBondContact O-N 2.98Å; K299-F319 HydrophobicContact CB-CD1 4.26Å; K299-F319 HydrophobicContact CD-CB 4.46Å; K299-F319 HydrophobicContact CD-CD1 3.85Å; K299-E603 IonicContact NZ-OE2 3.77Å
300	C	71.3	Confident	69	Low	71 Å²	71	83.6 Å²	83.6	48%	0.48	43%	0.426	S	S	.	.	H	α-helix	trans	-58.6	-41.6	177	-176	0	0	0	0	113.1	Q296 Q297 W298 R302 E303 T304	Q296-C300 PolarHBondContact O-N 2.87Å; Q296-C300 VanDerWaalsContact O-N 3.16Å; Q297-C300 PolarHBondContact O-N 3.06Å; W298-C300 PolarHBondContact O-N 3.32Å; C300-R302 VanDerWaalsContact C-N 3.3Å; C300-R302 PolarHBondContact O-N 2.82Å; C300-E303 PolarHBondContact O-N 3.1Å; C300-T304 WeakPolarHBondContact O-CB 3.49Å; C300-T304 WeakPolarHBondContact O-CG2 3.2Å; C300-T304 PolarHBondContact O-N 3.31Å; C300-T304 PolarHBondContact O-OG1 3.11Å
301	C	68.1	Low	66.6	Low	39 Å²	39	83.8 Å²	83.8	26%	0.264	44%	0.439	S	S	.	.	H	α-helix	trans	-70.5	-19.7	177.7	-68	0	0	0	0	114.3	L29 Q297 W298 K299 Q305	L29-C301 HydrophobicContact CD2-CB 3.91Å; Q297-C301 WeakPolarHBondContact O-CB 3.25Å; Q297-C301 PolarHBondContact O-N 2.78Å; Q297-C301 PolarHBondContact O-SG 3.47Å; W298-C301 PolarHBondContact O-N 2.81Å; K299-C301 PolarHBondContact O-N 2.73Å; C301-Q305 WeakPolarHBondContact O-CG 3.4Å; C301-Q305 PolarHBondContact O-NE2 3.08Å
302	R	67.8	Low	64.1	Low	48 Å²	48	90.8 Å²	90.8	18%	0.181	48%	0.476	C	S	.	.	H	α-helix	trans	-87.2	-41	172.5	-69.6	-177.7	72.9	-157.7	-1.2	111.7	W298 K299 C300 T304 Q305 S315	W298-R302 WeakPolarHBondContact O-CG 3.25Å; W298-R302 PolarHBondContact O-N 3.42Å; K299-R302 PolarHBondContact O-N 2.94Å; K299-R302 VanDerWaalsContact O-N 3.1Å; C300-R302 VanDerWaalsContact C-N 3.3Å; C300-R302 PolarHBondContact O-N 2.82Å; R302-T304 PolarHBondContact O-N 3.36Å; R302-Q305 PolarHBondContact O-N 3.24Å; R302-S315 PolarHBondContact NH1-OG 3.17Å; R302-S315 PolarHBondContact NH2-OG 3.29Å
303	E	66.6	Low	62.1	Low	130 Å²	130	96.6 Å²	96.6	61%	0.607	50%	0.502	S	S	*	.	H	α-helix	trans	-65.4	-25	178.6	-71.7	170.3	167.5	0	0	113.6	K299 C300	K299-E303 WeakPolarHBondContact CE-OE1 3.48Å; K299-E303 HydrophobicContact CG-CG 4.4Å; K299-E303 VanDerWaalsContact CG-OE1 3.27Å; K299-E303 WeakPolarHBondContact CG-OE1 3.36Å; K299-E303 IonicContact NZ-OE1 3.81Å; K299-E303 WeakPolarHBondContact O-CG 3.2Å; K299-E303 PolarHBondContact O-N 2.98Å; C300-E303 PolarHBondContact O-N 3.1Å
304	T	58.5	Low	60.5	Low	104 Å²	104	99.5 Å²	99.5	64%	0.638	51%	0.513	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.7	1.8	179.4	49.2	0	0	0	0	114.6	C300 R302	C300-T304 WeakPolarHBondContact O-CB 3.49Å; C300-T304 WeakPolarHBondContact O-CG2 3.2Å; C300-T304 PolarHBondContact O-N 3.31Å; C300-T304 PolarHBondContact O-OG1 3.11Å; R302-T304 PolarHBondContact O-N 3.36Å
305	Q	57.6	Low	59	Low	92 Å²	92	102 Å²	102	43%	0.43	53%	0.531	S	S	.	.	S	Bend	trans	-77.1	140.5	173.8	-66.5	-172.3	27.2	0	0	111.4	C301 R302 K307	C301-Q305 WeakPolarHBondContact O-CG 3.4Å; C301-Q305 PolarHBondContact O-NE2 3.08Å; R302-Q305 PolarHBondContact O-N 3.24Å; Q305-K307 PolarHBondContact O-N 2.74Å
306	P	47.3	Very low	57.4	Low	108 Å²	108	104.3 Å²	104.3	70%	0.701	55%	0.546	S	S	*	.			trans	-66	133.8	173.9	28.8	-33.9	0	0	0	110.2	D308	P306-D308 PolarHBondContact O-N 3.29Å
307	K	48.8	Very low	56.6	Low	203 Å²	203	99.9 Å²	99.9	88%	0.883	53%	0.526	S	S	*	.			trans	-77.2	86.2	173.7	-67.7	-174.5	176.7	-173.6	0	110.5	Q305	Q305-K307 PolarHBondContact O-N 2.74Å
308	D	43.8	Very low	56	Low	144 Å²	144	96.1 Å²	96.1	77%	0.77	51%	0.509	S	S	*	.			trans	-65.4	143.8	164.8	-81.3	-37.6	0	0	0	110.5	P306 V310	P306-D308 PolarHBondContact O-N 3.29Å; D308-V310 VanDerWaalsContact C-N 3.31Å; D308-V310 PolarHBondContact O-N 3.28Å
309	Q	43.2	Very low	55.8	Low	194 Å²	194	96.2 Å²	96.2	91%	0.907	51%	0.509	S	S	*	.	S	Bend	trans	-86.9	49.9	-154.9	-60.7	-179.3	2.2	0	0	114.5
310	V	38.2	Very low	55.7	Low	137 Å²	137	94.5 Å²	94.5	83%	0.83	50%	0.504	S	S	*	.	S	Bend	trans	-138.3	126	174.6	-167	0	0	0	0	111	D308	D308-V310 VanDerWaalsContact C-N 3.31Å; D308-V310 PolarHBondContact O-N 3.28Å
311	S	37.1	Very low	55.9	Low	101 Å²	101	93.3 Å²	93.3	71%	0.706	49%	0.492	S	S	*	.			trans	73.9	117.6	-172	-160.9	0	0	0	0	115.5	E313	S311-E313 VanDerWaalsContact C-N 3.3Å; S311-E313 PolarHBondContact OG-N 2.99Å
312	D	36.6	Very low	56.2	Low	146 Å²	146	92.8 Å²	92.8	78%	0.781	49%	0.486	S	S	*	.			trans	-95.2	26	171.4	-161.5	24.8	0	0	0	111.6	K314	D312-K314 PolarHBondContact O-N 3.11Å
313	E	43.5	Very low	56.5	Low	131 Å²	131	97.8 Å²	97.8	61%	0.612	51%	0.505	S	S	*	.			trans	-66.3	85.5	162.6	-85	-148.9	-160	0	0	109.3	R274 S311 S315	R274-E313 IonicContact CZ-OE2 2.73Å; R274-E313 IonicContact NH1-OE2 3.67Å; R274-E313 PolarHBondContact NH1-OE2 3.11Å; R274-E313 VanDerWaalsContact NH1-OE2 3.14Å; R274-E313 IonicContact NH2-OE2 3.74Å; R274-E313 PolarHBondContact NH2-OE2 2.86Å; S311-E313 VanDerWaalsContact C-N 3.3Å; S311-E313 PolarHBondContact OG-N 2.99Å; E313-S315 PolarHBondContact O-N 3.01Å; E313-S315 VanDerWaalsContact O-N 3.12Å
314	K	52.1	Low	56.8	Low	165 Å²	165	92 Å²	92	72%	0.717	48%	0.478	S	S	*	.			trans	-47.7	121.3	162	-67	178.5	-176.5	173.5	0	108.3	D312 C316	D312-K314 PolarHBondContact O-N 3.11Å; K314-C316 PolarHBondContact O-N 2.95Å
315	S	54	Low	57.5	Low	59 Å²	59	89.5 Å²	89.5	41%	0.413	46%	0.463	S	S	.	.			trans	-45.4	109.7	178.6	167.4	0	0	0	0	111.1	R302 E313 M317	R302-S315 PolarHBondContact NH1-OG 3.17Å; R302-S315 PolarHBondContact NH2-OG 3.29Å; E313-S315 PolarHBondContact O-N 3.01Å; E313-S315 VanDerWaalsContact O-N 3.12Å; S315-M317 PolarHBondContact O-N 2.88Å
316	C	52.7	Low	58.5	Low	47 Å²	47	86.2 Å²	86.2	32%	0.318	45%	0.449	S	S	.	.			trans	-68	-2.6	-174.5	-164.3	0	0	0	0	113.8	R253 K314 Q318	R253-C316 CarbonylContact C-O 3.51Å; R253-C316 WeakPolarHBondContact CA-O 3.33Å; K314-C316 PolarHBondContact O-N 2.95Å; C316-Q318 PolarHBondContact O-N 2.92Å
317	M	64.1	Low	60	Low	20 Å²	20	84.5 Å²	84.5	10%	0.099	44%	0.438	C	S	.	.			trans	-85.9	99.3	-174	-162.4	-74.7	-62.4	0	0	112.7	L249 M252 L255 W298 S315 F319	L249-M317 VanDerWaalsContact O-CG 3.26Å; L249-M317 WeakPolarHBondContact O-CG 3.34Å; M252-M317 WeakPolarHBondContact O-CA 3.49Å; M252-M317 VanDerWaalsContact O-CB 3.26Å; M252-M317 WeakPolarHBondContact O-CB 3.5Å; M252-M317 PolarHBondContact O-N 3.16Å; L255-M317 HydrophobicContact CB-SD 3.84Å; L255-M317 HydrophobicContact CD2-SD 4.37Å; W298-M317 HydrophobicContact CE3-CE 4.21Å; W298-M317 HydrophobicContact CH2-CE 3.94Å; W298-M317 HydrophobicContact CZ3-CE 3.51Å; W298-M317 HydrophobicContact CZ3-SD 4.29Å; S315-M317 PolarHBondContact O-N 2.88Å; M317-F319 HydrophobicContact CE-CB 3.99Å; M317-F319 HydrophobicContact SD-CB 3.91Å
318	Q	67.8	Low	61.4	Low	14 Å²	14	80 Å²	80	7%	0.065	43%	0.431	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	120.9	167.6	170.5	-174.6	33.1	0	0	110.7	R253 S254 L255 C316 D600 H614	R253-Q318 WeakPolarHBondContact O-CB 3.44Å; R253-Q318 PolarHBondContact O-N 3.44Å; S254-Q318 CarbonylContact C-O 3.59Å; S254-Q318 VanDerWaalsContact CA-O 3.25Å; S254-Q318 WeakPolarHBondContact CA-O 3.45Å; S254-Q318 VanDerWaalsContact CB-OE1 3.23Å; L255-Q318 PolarHBondContact N-O 3.45Å; C316-Q318 PolarHBondContact O-N 2.92Å; Q318-D600 HydrophobicContact CG-CB 4.37Å; Q318-D600 WeakPolarHBondContact CG-OD2 3.46Å; Q318-D600 PolarHBondContact NE2-OD2 3.3Å; Q318-H614 PolarHBondContact NE2-CE1 3.14Å; Q318-H614 PolarHBondContact NE2-ND1 3.08Å
319	F	76.3	Confident	63.2	Low	14 Å²	14	77.3 Å²	77.3	6%	0.061	43%	0.43	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	117.6	173.4	176.7	-112.1	0	0	0	112	L255 L257 F295 Q296 K299 M317 I321	L255-F319 HydrophobicContact CB-CD2 4.05Å; L255-F319 HydrophobicContact CD2-CD2 3.75Å; L255-F319 HydrophobicContact CD2-CE2 4.1Å; L255-F319 HydrophobicContact CG-CD2 3.97Å; L255-F319 HydrophobicContact CG-CE2 4.38Å; L255-F319 WeakPolarHBondContact O-CA 3.38Å; L255-F319 WeakPolarHBondContact O-CD2 3.36Å; L257-F319 HydrophobicContact CD1-CE2 3.72Å; F295-F319 HydrophobicContact CB-CD2 4.24Å; F295-F319 HydrophobicContact CB-CE1 4.12Å; F295-F319 HydrophobicContact CB-CE2 3.39Å; F295-F319 HydrophobicContact CB-CZ 3.31Å; F295-F319 AromaticContact CD2-CE2 3.89Å; F295-F319 HydrophobicContact CD2-CE2 3.89Å; F295-F319 HydrophobicContact CD2-CZ 4.44Å; F295-F319 HydrophobicContact CG-CE2 4.03Å; F295-F319 HydrophobicContact CG-CZ 4.37Å; Q296-F319 HydrophobicContact CB-CE1 4.44Å; K299-F319 HydrophobicContact CB-CD1 4.26Å; K299-F319 HydrophobicContact CD-CB 4.46Å; K299-F319 HydrophobicContact CD-CD1 3.85Å; M317-F319 HydrophobicContact CE-CB 3.99Å; M317-F319 HydrophobicContact SD-CB 3.91Å; F319-I321 HydrophobicContact CE1-CD1 3.69Å; F319-I321 HydrophobicContact CE1-CG1 3.79Å; F319-I321 HydrophobicContact CE2-CG1 4.19Å; F319-I321 HydrophobicContact CZ-CD1 3.6Å; F319-I321 HydrophobicContact CZ-CG1 3.47Å; F319-I321 VanDerWaalsContact CZ-CG1 3.47Å
320	S	74.3	Confident	65.1	Low	18 Å²	18	71.3 Å²	71.3	13%	0.126	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	143.2	176.2	37.9	0	0	0	0	113.1	L255 R256 L257 D600	L255-S320 PolarHBondContact O-N 3.13Å; R256-S320 WeakPolarHBondContact CA-O 3.44Å; L257-S320 PolarHBondContact N-O 3.43Å; L257-S320 VanDerWaalsContact N-O 3.1Å; S320-D600 WeakPolarHBondContact CB-OD2 3.37Å; S320-D600 PolarHBondContact OG-OD2 3.27Å
321	I	75.9	Confident	67.4	Low	45 Å²	45	66.4 Å²	66.4	23%	0.231	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	114.5	-177	-59.2	167.7	0	0	0	108.5	F259 A292 Q296 F319	F259-I321 HydrophobicContact CD2-CG2 4.21Å; F259-I321 HydrophobicContact CE2-CG2 3.46Å; F259-I321 VanDerWaalsContact CE2-CG2 3.46Å; F259-I321 HydrophobicContact CZ-CG2 4.3Å; A292-I321 HydrophobicContact CB-CD1 4.26Å; Q296-I321 HydrophobicContact CB-CD1 4.45Å; F319-I321 HydrophobicContact CE1-CD1 3.69Å; F319-I321 HydrophobicContact CE1-CG1 3.79Å; F319-I321 HydrophobicContact CE2-CG1 4.19Å; F319-I321 HydrophobicContact CZ-CD1 3.6Å; F319-I321 HydrophobicContact CZ-CG1 3.47Å; F319-I321 VanDerWaalsContact CZ-CG1 3.47Å
322	Q	74.8	Confident	70	Confident	29 Å²	29	61.8 Å²	61.8	14%	0.136	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	105.5	-175.8	-67	-67.4	-23	0	0	110.3	L257 F258 F259 L596 Y597	L257-Q322 WeakPolarHBondContact O-CB 3.11Å; L257-Q322 PolarHBondContact O-N 2.97Å; F258-Q322 HydrophobicContact CD1-CB 3.86Å; F258-Q322 HydrophobicContact CD1-CG 4.05Å; F258-Q322 HydrophobicContact CE1-CB 4.38Å; F258-Q322 HydrophobicContact CE1-CG 4.05Å; F259-Q322 WeakPolarHBondContact CD2-O 3.4Å; F259-Q322 PolarHBondContact N-O 3.43Å; Q322-L596 PolarHBondContact NE2-O 2.94Å; Q322-L596 PolarHBondContact OE1-O 3.2Å; Q322-Y597 HydrophobicContact CB-CE1 4.42Å; Q322-Y597 VanDerWaalsContact CD-CD1 3.45Å; Q322-Y597 VanDerWaalsContact CD-CE1 3.41Å; Q322-Y597 HydrophobicContact CG-CD1 4.03Å; Q322-Y597 HydrophobicContact CG-CE1 3.77Å; Q322-Y597 VanDerWaalsContact OE1-CE1 3.31Å
323	R	73.8	Confident	72.5	Confident	153 Å²	153	58.7 Å²	58.7	58%	0.577	33%	0.327	S	S	*	.			trans	-81.5	149.6	178.4	-66.5	-178.1	-180	-116.8	-0.9	111	F259 T325 L626	F259-R323 HydrophobicContact CD2-CG 4.29Å; R323-T325 VanDerWaalsContact C-N 3.31Å; R323-T325 PolarHBondContact O-N 3.47Å; R323-L626 VanDerWaalsContact O-CD2 3.28Å; R323-L626 WeakPolarHBondContact O-CD2 3.23Å
324	P	71.6	Confident	74.7	Confident	7 Å²	7	54.3 Å²	54.3	5%	0.045	31%	0.306	C	S	.	.	S	Bend	trans	-87.6	-2.1	-175.7	29.9	-19.4	0	0	0	113	F259 D261 R629	F259-P324 HydrophobicContact CB-CG 3.98Å; D261-P324 WeakPolarHBondContact O-CG 3.48Å; P324-R629 PolarHBondContact O-NH2 3.1Å
325	T	73.1	Confident	76.5	Confident	52 Å²	52	47.5 Å²	47.5	32%	0.319	28%	0.277	S	S	.	.			trans	-123.9	136.4	-173.8	47.1	0	0	0	0	111.5	D262 R323	D262-T325 HydrophobicContact CB-CG2 4.12Å; D262-T325 WeakPolarHBondContact OD1-CG2 3.49Å; R323-T325 VanDerWaalsContact C-N 3.31Å; R323-T325 PolarHBondContact O-N 3.47Å
326	L	78.8	Confident	77.9	Confident	24 Å²	24	53.2 Å²	53.2	13%	0.126	29%	0.29	C	S	.	.			trans	-89.4	146.7	166.4	-64.1	170.5	0	0	0	108.9	E330 T331 L596 L626 R629 K630	L326-E330 HydrophobicContact CB-CB 4.35Å; L326-E330 WeakPolarHBondContact CD1-O 3.44Å; L326-T331 HydrophobicContact CB-CG2 3.83Å; L326-T331 HydrophobicContact CD1-CG2 4.19Å; L326-L596 HydrophobicContact CD2-CD2 4.09Å; L326-L626 HydrophobicContact CD1-CD1 4.43Å; L326-L626 HydrophobicContact CD2-CD1 3.99Å; L326-L626 HydrophobicContact CG-CD1 3.74Å; L326-R629 HydrophobicContact CD1-CB 3.92Å; L326-K630 HydrophobicContact CD1-CB 3.91Å; L326-K630 HydrophobicContact CD1-CD 4.18Å; L326-K630 HydrophobicContact CD2-CD 4.07Å
327	P	80.7	Confident	79.7	Confident	72 Å²	72	57 Å²	57	47%	0.468	31%	0.306	S	S	.	.			trans	-56.9	146.4	162.4	-21.8	34.2	0	0	0	110.5	A329 E330	P327-A329 PolarHBondContact O-N 2.91Å; P327-A329 VanDerWaalsContact O-N 3.07Å; P327-E330 WeakPolarHBondContact CG-OE1 3.41Å; P327-E330 WeakPolarHBondContact O-CA 3.47Å; P327-E330 WeakPolarHBondContact O-CB 3.45Å; P327-E330 PolarHBondContact O-N 3.46Å
328	S	77.5	Confident	81	Confident	107 Å²	107	59.6 Å²	59.6	75%	0.748	32%	0.315	S	S	*	.	G	3₁₀ helix	trans	-60.2	-25.4	-177.2	-44.2	0	0	0	0	113.8	E330 T331	S328-E330 PolarHBondContact O-N 2.77Å; S328-T331 PolarHBondContact O-N 2.78Å; S328-T331 PolarHBondContact O-OG1 2.81Å
329	A	80.3	Confident	82.2	Confident	89 Å²	89	69.6 Å²	69.6	74%	0.736	35%	0.352	S	S	*	.	G	3₁₀ helix	trans	-69.8	-12.1	173.4	0	0	0	0	0	114	P327	P327-A329 PolarHBondContact O-N 2.91Å; P327-A329 VanDerWaalsContact O-N 3.07Å
330	E	83.9	Confident	83.1	Confident	68 Å²	68	73.8 Å²	73.8	32%	0.318	37%	0.368	S	S	.	.	G	3₁₀ helix	trans	-112.5	19.4	177.5	-60.5	-176.1	-127.3	0	0	112.3	L326 P327 S328 K630 S633	L326-E330 HydrophobicContact CB-CB 4.35Å; L326-E330 WeakPolarHBondContact CD1-O 3.44Å; P327-E330 WeakPolarHBondContact CG-OE1 3.41Å; P327-E330 WeakPolarHBondContact O-CA 3.47Å; P327-E330 WeakPolarHBondContact O-CB 3.45Å; P327-E330 PolarHBondContact O-N 3.46Å; S328-E330 PolarHBondContact O-N 2.77Å; E330-K630 IonicContact OE2-NZ 3.79Å; E330-K630 PolarHBondContact OE2-NZ 3.32Å; E330-S633 VanDerWaalsContact C-OG 3.23Å; E330-S633 WeakPolarHBondContact O-CB 3.37Å; E330-S633 PolarHBondContact O-OG 2.79Å
331	T	87.4	Confident	84.1	Confident	33 Å²	33	73.1 Å²	73.1	20%	0.202	36%	0.363	C	S	.	.	S	Bend	trans	-117.7	155	173.9	56.1	0	0	0	0	111.2	L326 S328	L326-T331 HydrophobicContact CB-CG2 3.83Å; L326-T331 HydrophobicContact CD1-CG2 4.19Å; S328-T331 PolarHBondContact O-N 2.78Å; S328-T331 PolarHBondContact O-OG1 2.81Å
332	H	91.2	Very high	85.1	Confident	5 Å²	5	74.4 Å²	74.4	2%	0.023	37%	0.37	C	S	.	.			trans	-60.5	141.8	171.9	-170	-90.5	0	0	0	110.5	E334 E335 F368 R632 Y636	H332-E334 IonicContact CE1-OE1 2.67Å; H332-E334 WeakPolarHBondContact ND1-CB 3.46Å; H332-E334 PolarHBondContact ND1-N 2.57Å; H332-E334 PolarHBondContact O-N 3.17Å; H332-E335 HydrophobicContact CB-CB 4.2Å; H332-E335 WeakPolarHBondContact O-CB 3.48Å; H332-E335 PolarHBondContact O-N 3.2Å; H332-F368 HydrophobicContact CB-CE1 4.03Å; H332-F368 AromaticContact CE1-CE1 3.81Å; H332-F368 AromaticContact CE1-CZ 3.29Å; H332-F368 WeakPolarHBondContact CE1-CZ 3.34Å; H332-F368 AromaticContact CG-CE1 3.56Å; H332-F368 AromaticContact CG-CZ 3.82Å; H332-F368 AromaticContact ND1-CE1 3.33Å; H332-F368 VanDerWaalsContact ND1-CE1 3.33Å; H332-F368 WeakPolarHBondContact ND1-CE1 3.45Å; H332-F368 AromaticContact ND1-CZ 3.33Å; H332-F368 VanDerWaalsContact ND1-CZ 3.33Å; H332-F368 WeakPolarHBondContact ND1-CZ 3.3Å; H332-F368 AromaticContact NE2-CZ 3.73Å; H332-R632 HydrophobicContact CB-CB 4.14Å; H332-Y636 AromaticContact CD2-CG 3.95Å; H332-Y636 AromaticContact NE2-CD2 3.86Å
333	P	89.6	Confident	86.2	Confident	80 Å²	80	76.4 Å²	76.4	52%	0.519	38%	0.384	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-22.7	179.6	-24.3	33	0	0	0	114.6	Y636	P333-Y636 HydrophobicContact CG-CD1 4.22Å; P333-Y636 HydrophobicContact CG-CE1 3.58Å; P333-Y636 HydrophobicContact CG-CE2 3.93Å; P333-Y636 VanDerWaalsContact CG-CZ 3.41Å
334	E	89.6	Confident	87.3	Confident	39 Å²	39	71.6 Å²	71.6	18%	0.182	38%	0.377	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.3	9.4	178.2	-46.6	-176.1	-112.6	0	0	112.8	H332 L337 Y338 K364 F368 R663	H332-E334 IonicContact CE1-OE1 2.67Å; H332-E334 WeakPolarHBondContact ND1-CB 3.46Å; H332-E334 PolarHBondContact ND1-N 2.57Å; H332-E334 PolarHBondContact O-N 3.17Å; E334-L337 HydrophobicContact CB-CD1 3.96Å; E334-L337 HydrophobicContact CG-CD1 4.41Å; E334-L337 WeakPolarHBondContact O-CB 3.44Å; E334-L337 PolarHBondContact O-N 2.96Å; E334-Y338 HydrophobicContact CB-CE2 4.4Å; E334-K364 IonicContact OE1-NZ 3.55Å; E334-K364 PolarHBondContact OE1-NZ 3.21Å; E334-K364 WeakPolarHBondContact OE2-CE 3.47Å; E334-K364 IonicContact OE2-NZ 3.55Å; E334-K364 PolarHBondContact OE2-NZ 2.86Å; E334-F368 HydrophobicContact CB-CZ 4.47Å; E334-R663 IonicContact OE1-CZ 2.71Å; E334-R663 IonicContact OE1-NH2 3.78Å; E334-R663 PolarHBondContact OE1-NH2 2.93Å
335	E	88.6	Confident	88.4	Confident	22 Å²	22	72 Å²	72	10%	0.103	38%	0.381	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62	143.4	176.7	-158.3	67.7	-97	0	0	110.9	H332 L337 R629 R632	H332-E335 HydrophobicContact CB-CB 4.2Å; H332-E335 WeakPolarHBondContact O-CB 3.48Å; H332-E335 PolarHBondContact O-N 3.2Å; E335-L337 PolarHBondContact O-N 3.33Å; E335-R629 HydrophobicContact CG-CG 4.04Å; E335-R632 IonicContact OE1-CZ 3.2Å; E335-R632 IonicContact OE1-NH1 2.73Å; E335-R632 PolarHBondContact OE1-NH1 3.07Å; E335-R632 WeakPolarHBondContact OE2-CD 3.35Å; E335-R632 IonicContact OE2-NH1 2.61Å
336	R	85	Confident	89.5	Confident	180 Å²	180	70.3 Å²	70.3	68%	0.679	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.3	0.9	-174.6	-57.8	179.3	167	-174	-6.3	116	D262 Y338	D262-R336 IonicContact OD2-NH2 3.52Å; R336-Y338 VanDerWaalsContact C-N 3.33Å
337	L	89.8	Confident	90.3	Very high	125 Å²	125	74.4 Å²	74.4	65%	0.654	39%	0.39	S	S	*	.	S	Bend	trans	-72.9	-26.9	172.6	-61.8	-171.4	0	0	0	112.9	E334 E335	E334-L337 HydrophobicContact CB-CD1 3.96Å; E334-L337 HydrophobicContact CG-CD1 4.41Å; E334-L337 WeakPolarHBondContact O-CB 3.44Å; E334-L337 PolarHBondContact O-N 2.96Å; E335-L337 PolarHBondContact O-N 3.33Å
338	Y	92	Very high	91	Very high	75 Å²	75	79.5 Å²	79.5	29%	0.294	40%	0.4	S	S	.	.	P	Polyproline II helix	trans	-100.6	137.4	-179	-65.2	-90	0	0	0	111.1	E334 R336 K364 A365 F368	E334-Y338 HydrophobicContact CB-CE2 4.4Å; R336-Y338 VanDerWaalsContact C-N 3.33Å; Y338-K364 HydrophobicContact CE2-CG 4.43Å; Y338-K364 WeakPolarHBondContact OH-CD 3.43Å; Y338-K364 VanDerWaalsContact OH-CE 3.22Å; Y338-K364 WeakPolarHBondContact OH-CE 3.3Å; Y338-A365 HydrophobicContact CD1-CB 4.06Å; Y338-A365 HydrophobicContact CE1-CB 4.39Å; Y338-F368 HydrophobicContact CD2-CB 3.48Å; Y338-F368 VanDerWaalsContact CD2-CB 3.48Å; Y338-F368 AromaticContact CD2-CD2 3.68Å; Y338-F368 HydrophobicContact CD2-CD2 3.68Å; Y338-F368 AromaticContact CD2-CG 3.72Å; Y338-F368 HydrophobicContact CD2-CG 3.72Å; Y338-F368 HydrophobicContact CE2-CB 4.37Å; Y338-F368 AromaticContact CE2-CD2 3.7Å; Y338-F368 HydrophobicContact CE2-CD2 3.7Å; Y338-F368 HydrophobicContact CE2-CE2 4.39Å; Y338-F368 HydrophobicContact CE2-CG 4.19Å; Y338-F368 HydrophobicContact CG-CB 3.74Å; Y338-F368 HydrophobicContact CG-CD2 4.48Å; Y338-F368 HydrophobicContact CG-CG 4.44Å
339	R	92.3	Very high	91.8	Very high	224 Å²	224	75.8 Å²	75.8	85%	0.845	37%	0.371	S	S	*	.	P	Polyproline II helix	trans	-91.1	167.3	165.4	-62.9	-176.7	-178.9	-174.9	-0.2	109.2	G369	R339-G369 WeakPolarHBondContact O-CA 3.25Å
340	R	94.4	Very high	92.5	Very high	103 Å²	103	73.4 Å²	73.4	39%	0.389	35%	0.345	S	S	.	.	P	Polyproline II helix	trans	-52.6	144.6	167	-72.5	176.4	-177.5	-104.5	8.6	110.3	D342 G369 G370 I371	R340-D342 PolarHBondContact O-N 3.37Å; R340-D342 VanDerWaalsContact O-N 3.15Å; R340-G369 WeakPolarHBondContact CG-O 3.3Å; R340-G370 CarbonylContact C-O 3.54Å; R340-G370 VanDerWaalsContact CA-O 3.29Å; R340-G370 WeakPolarHBondContact CA-O 3.26Å; R340-I371 PolarHBondContact NH1-O 2.95Å
341	V	97	Very high	93	Very high	4 Å²	4	71.6 Å²	71.6	2%	0.024	34%	0.338	C	S	.	.	B	Isolated β-bridge	trans	-73.1	104.4	170.4	-174.5	0	0	0	0	107.9	A345 W346 A365 I366 G370 D372 I375	V341-A345 HydrophobicContact CG1-CB 3.94Å; V341-W346 HydrophobicContact CG1-CB 4.18Å; V341-A365 HydrophobicContact CG2-CB 4.03Å; V341-I366 HydrophobicContact CG2-CG1 3.9Å; V341-G370 PolarHBondContact N-O 3.1Å; V341-D372 WeakPolarHBondContact O-CB 3.42Å; V341-D372 PolarHBondContact O-N 3.01Å; V341-I375 HydrophobicContact CG1-CD1 4Å; V341-I375 VanDerWaalsContact O-CD1 3.32Å; V341-I375 WeakPolarHBondContact O-CD1 3.3Å
342	D	96.8	Very high	93.4	Very high	71 Å²	71	79 Å²	79	38%	0.38	37%	0.37	S	S	.	.			trans	-87.9	174.4	170.9	63.3	36.4	0	0	0	111.6	R340 A344 A345 W346	R340-D342 PolarHBondContact O-N 3.37Å; R340-D342 VanDerWaalsContact O-N 3.15Å; D342-A344 PolarHBondContact O-N 3.49Å; D342-A344 WeakPolarHBondContact OD1-CA 3.5Å; D342-A344 WeakPolarHBondContact OD1-CB 3.33Å; D342-A344 PolarHBondContact OD1-N 2.99Å; D342-A345 PolarHBondContact O-N 2.9Å; D342-A345 WeakPolarHBondContact OD1-CB 3.33Å; D342-A345 PolarHBondContact OD1-N 3.08Å; D342-W346 PolarHBondContact O-N 2.86Å
343	V	96.9	Very high	93.6	Very high	72 Å²	72	80.7 Å²	80.7	44%	0.436	38%	0.382	S	S	.	.	H	α-helix	trans	-50.7	-41.9	177.3	-177	0	0	0	0	112	L347 I375	V343-L347 HydrophobicContact CG1-CD1 4.01Å; V343-L347 WeakPolarHBondContact O-CB 3.33Å; V343-L347 VanDerWaalsContact O-CG 3.29Å; V343-L347 WeakPolarHBondContact O-CG 3.21Å; V343-L347 PolarHBondContact O-N 2.76Å; V343-I375 HydrophobicContact CB-CG2 4.28Å; V343-I375 HydrophobicContact CG2-CG2 3.55Å
344	A	96.5	Very high	93.8	Very high	52 Å²	52	77 Å²	77	43%	0.43	36%	0.359	S	S	.	.	H	α-helix	trans	-74.3	-30.9	-178	0	0	0	0	0	112.2	D342 R348	D342-A344 PolarHBondContact O-N 3.49Å; D342-A344 WeakPolarHBondContact OD1-CA 3.5Å; D342-A344 WeakPolarHBondContact OD1-CB 3.33Å; D342-A344 PolarHBondContact OD1-N 2.99Å; A344-R348 WeakPolarHBondContact O-CG 3.26Å; A344-R348 VanDerWaalsContact O-CZ 3.27Å; A344-R348 PolarHBondContact O-N 2.76Å; A344-R348 PolarHBondContact O-NH1 3.28Å
345	A	95.5	Very high	94.1	Very high	14 Å²	14	78.1 Å²	78.1	12%	0.116	36%	0.364	C	S	.	.	H	α-helix	trans	-71.1	-43.4	172.3	0	0	0	0	0	111.8	V341 D342 R348 H349	V341-A345 HydrophobicContact CG1-CB 3.94Å; D342-A345 PolarHBondContact O-N 2.9Å; D342-A345 WeakPolarHBondContact OD1-CB 3.33Å; D342-A345 PolarHBondContact OD1-N 3.08Å; A345-R348 VanDerWaalsContact CA-NH2 3.29Å; A345-R348 PolarHBondContact O-N 3.38Å; A345-H349 PolarHBondContact O-CD2 2.88Å; A345-H349 PolarHBondContact O-N 3.36Å
346	W	96.1	Very high	94.3	Very high	18 Å²	18	77.7 Å²	77.7	7%	0.068	36%	0.363	C	S	.	.	H	α-helix	trans	-58.1	-50.8	174	175.5	-128.6	0	0	0	111.7	V341 D342 R348 H349 I350 V356 L362 I375 V379 F382	V341-W346 HydrophobicContact CG1-CB 4.18Å; D342-W346 PolarHBondContact O-N 2.86Å; W346-R348 PolarHBondContact O-N 3.01Å; W346-R348 VanDerWaalsContact O-N 3.15Å; W346-H349 WeakPolarHBondContact O-CA 3.37Å; W346-H349 WeakPolarHBondContact O-CB 3.22Å; W346-H349 PolarHBondContact O-N 3.39Å; W346-I350 HydrophobicContact CD2-CG1 4.23Å; W346-I350 HydrophobicContact CH2-CD1 3.86Å; W346-I350 HydrophobicContact CH2-CG1 4.46Å; W346-I350 HydrophobicContact CZ2-CD1 3.83Å; W346-I350 HydrophobicContact CZ2-CG1 4.17Å; W346-I350 HydrophobicContact CZ3-CD1 4.27Å; W346-I350 PolarHBondContact O-N 3.4Å; W346-V356 HydrophobicContact CH2-CG2 4.06Å; W346-V356 HydrophobicContact CZ3-CG2 4.32Å; W346-L362 HydrophobicContact CE3-CD1 3.92Å; W346-L362 HydrophobicContact CZ3-CD1 3.91Å; W346-L362 HydrophobicContact CZ3-CD2 3.73Å; W346-L362 HydrophobicContact CZ3-CG 4.49Å; W346-I375 HydrophobicContact CB-CD1 3.72Å; W346-I375 HydrophobicContact CG-CD1 4.18Å; W346-V379 HydrophobicContact CD2-CG2 3.72Å; W346-V379 HydrophobicContact CE3-CG2 3.82Å; W346-V379 HydrophobicContact CG-CG2 4.22Å; W346-V379 HydrophobicContact CH2-CG2 4.21Å; W346-V379 HydrophobicContact CZ2-CG2 4.11Å; W346-V379 HydrophobicContact CZ3-CG1 4.42Å; W346-V379 HydrophobicContact CZ3-CG2 4.07Å; W346-F382 AromaticContact CH2-CD2 3.77Å; W346-F382 HydrophobicContact CH2-CD2 3.77Å; W346-F382 AromaticContact CH2-CE2 3.65Å; W346-F382 HydrophobicContact CH2-CE2 3.65Å; W346-F382 HydrophobicContact CH2-CG 4.42Å; W346-F382 HydrophobicContact CH2-CZ 4.2Å; W346-F382 HydrophobicContact CZ2-CD2 4.13Å; W346-F382 AromaticContact CZ2-CE2 3.67Å; W346-F382 HydrophobicContact CZ2-CE2 3.67Å; W346-F382 HydrophobicContact CZ2-CZ 4.33Å
347	L	95.1	Very high	94.6	Very high	110 Å²	110	74.1 Å²	74.1	58%	0.576	35%	0.354	S	S	*	.	H	α-helix	trans	-64	-19.5	178.1	-68.6	173	0	0	0	114	V343 H349 I350	V343-L347 HydrophobicContact CG1-CD1 4.01Å; V343-L347 WeakPolarHBondContact O-CB 3.33Å; V343-L347 VanDerWaalsContact O-CG 3.29Å; V343-L347 WeakPolarHBondContact O-CG 3.21Å; V343-L347 PolarHBondContact O-N 2.76Å; L347-H349 VanDerWaalsContact C-N 3.32Å; L347-I350 PolarHBondContact O-N 3.42Å
348	R	94.9	Very high	94.4	Very high	178 Å²	178	73.7 Å²	73.7	67%	0.672	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79	-12.9	170.8	-75.4	-174.8	-54.9	-91.6	6.4	113.9	A344 A345 W346	A344-R348 WeakPolarHBondContact O-CG 3.26Å; A344-R348 VanDerWaalsContact O-CZ 3.27Å; A344-R348 PolarHBondContact O-N 2.76Å; A344-R348 PolarHBondContact O-NH1 3.28Å; A345-R348 VanDerWaalsContact CA-NH2 3.29Å; A345-R348 PolarHBondContact O-N 3.38Å; W346-R348 PolarHBondContact O-N 3.01Å; W346-R348 VanDerWaalsContact O-N 3.15Å
349	H	94.3	Very high	94.2	Very high	30 Å²	30	72.7 Å²	72.7	14%	0.139	35%	0.347	C	S	.	.	S	Bend	trans	-95.8	-2.9	169.8	-75.2	-71	0	0	0	112.7	A345 W346 L347 V356 E357 L362	A345-H349 PolarHBondContact O-CD2 2.88Å; A345-H349 PolarHBondContact O-N 3.36Å; W346-H349 WeakPolarHBondContact O-CA 3.37Å; W346-H349 WeakPolarHBondContact O-CB 3.22Å; W346-H349 PolarHBondContact O-N 3.39Å; L347-H349 VanDerWaalsContact C-N 3.32Å; H349-V356 CarbonylContact O-C 3.02Å; H349-V356 VanDerWaalsContact O-CA 3.3Å; H349-V356 WeakPolarHBondContact O-CA 3.35Å; H349-E357 PolarHBondContact ND1-O 2.84Å; H349-E357 PolarHBondContact O-N 3.24Å; H349-L362 HydrophobicContact CB-CD1 4.34Å
350	I	95.6	Very high	94	Very high	38 Å²	38	65.7 Å²	65.7	20%	0.195	32%	0.321	C	S	.	.	B	Isolated β-bridge	trans	-109.7	125.8	-176.9	-64.3	-65.2	0	0	0	110.3	W346 L347 Q355 V356	W346-I350 HydrophobicContact CD2-CG1 4.23Å; W346-I350 HydrophobicContact CH2-CD1 3.86Å; W346-I350 HydrophobicContact CH2-CG1 4.46Å; W346-I350 HydrophobicContact CZ2-CD1 3.83Å; W346-I350 HydrophobicContact CZ2-CG1 4.17Å; W346-I350 HydrophobicContact CZ3-CD1 4.27Å; W346-I350 PolarHBondContact O-N 3.4Å; L347-I350 PolarHBondContact O-N 3.42Å; I350-Q355 WeakPolarHBondContact CA-O 3.48Å; I350-V356 HydrophobicContact CD1-CG2 3.71Å
351	N	95.1	Very high	93.8	Very high	30 Å²	30	65.6 Å²	65.6	16%	0.16	32%	0.323	C	S	.	.			trans	-85.3	176.6	177.9	79.7	4.8	0	0	0	112.8	S353 G354 Q355 E357	N351-S353 PolarHBondContact ND2-OG 3.33Å; N351-S353 PolarHBondContact O-N 2.93Å; N351-S353 PolarHBondContact OD1-N 3.12Å; N351-S353 VanDerWaalsContact OD1-N 3.07Å; N351-S353 PolarHBondContact OD1-OG 2.65Å; N351-G354 PolarHBondContact O-N 2.83Å; N351-G354 PolarHBondContact OD1-N 3.2Å; N351-Q355 PolarHBondContact N-O 3.24Å; N351-Q355 PolarHBondContact ND2-OE1 3.21Å; N351-Q355 PolarHBondContact OD1-N 3.07Å; N351-E357 HydrophobicContact CB-CG 3.95Å; N351-E357 WeakPolarHBondContact CB-OE1 3.36Å; N351-E357 PolarHBondContact ND2-OE1 3.47Å
352	H	94.4	Very high	93.6	Very high	190 Å²	190	65.5 Å²	65.5	88%	0.88	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.9	-21	-177	74	-34.4	0	0	0	115.6
353	S	95.3	Very high	93.5	Very high	39 Å²	39	62.7 Å²	62.7	27%	0.273	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.6	-5.3	176.9	23.3	0	0	0	0	112.4	N351 Q355 S392 S393	N351-S353 PolarHBondContact ND2-OG 3.33Å; N351-S353 PolarHBondContact O-N 2.93Å; N351-S353 PolarHBondContact OD1-N 3.12Å; N351-S353 VanDerWaalsContact OD1-N 3.07Å; N351-S353 PolarHBondContact OD1-OG 2.65Å; S353-Q355 PolarHBondContact OG-OE1 3.44Å; S353-S392 CarbonylContact O-C 3.6Å; S353-S392 WeakPolarHBondContact O-CA 3.48Å; S353-S392 WeakPolarHBondContact O-CB 3.33Å; S353-S393 PolarHBondContact O-N 2.83Å
354	G	93.8	Very high	93.3	Very high	4 Å²	4	60.3 Å²	60.3	4%	0.041	29%	0.29	C	S	.	.	S	Bend	trans	88.5	12.4	-177.8	0	0	0	0	0	114.8	N351 S393 R396	N351-G354 PolarHBondContact O-N 2.83Å; N351-G354 PolarHBondContact OD1-N 3.2Å; G354-S393 WeakPolarHBondContact CA-OG 3.5Å; G354-R396 VanDerWaalsContact O-CZ 3.29Å; G354-R396 PolarHBondContact O-NH1 2.95Å; G354-R396 PolarHBondContact O-NH2 3.38Å
355	Q	95.9	Very high	93.2	Very high	61 Å²	61	58.4 Å²	58.4	29%	0.285	28%	0.275	S	S	.	.			trans	-87.6	153.1	179.4	-52	167.8	-78.4	0	0	110.3	I350 N351 S353 E357 D390 S391	I350-Q355 WeakPolarHBondContact CA-O 3.48Å; N351-Q355 PolarHBondContact N-O 3.24Å; N351-Q355 PolarHBondContact ND2-OE1 3.21Å; N351-Q355 PolarHBondContact OD1-N 3.07Å; S353-Q355 PolarHBondContact OG-OE1 3.44Å; Q355-E357 PolarHBondContact O-N 3.24Å; Q355-D390 WeakPolarHBondContact CG-O 3.44Å; Q355-D390 PolarHBondContact NE2-O 3.18Å; Q355-S391 WeakPolarHBondContact CA-O 3.4Å; Q355-S391 WeakPolarHBondContact CG-O 3.43Å
356	V	94.4	Very high	93.2	Very high	14 Å²	14	57.8 Å²	57.8	9%	0.085	27%	0.269	C	S	.	.	B	Isolated β-bridge	trans	-83.5	115.2	177.6	177.2	0	0	0	0	110.4	W346 H349 I350 L362 F382 Y389	W346-V356 HydrophobicContact CH2-CG2 4.06Å; W346-V356 HydrophobicContact CZ3-CG2 4.32Å; H349-V356 CarbonylContact O-C 3.02Å; H349-V356 VanDerWaalsContact O-CA 3.3Å; H349-V356 WeakPolarHBondContact O-CA 3.35Å; I350-V356 HydrophobicContact CD1-CG2 3.71Å; V356-L362 HydrophobicContact CG1-CB 4.49Å; V356-L362 HydrophobicContact CG1-CD2 3.68Å; V356-L362 HydrophobicContact CG2-CD2 4.48Å; V356-F382 HydrophobicContact CG2-CD1 4.12Å; V356-F382 HydrophobicContact CG2-CE1 3.87Å; V356-F382 HydrophobicContact CG2-CZ 4.33Å; V356-Y389 HydrophobicContact CB-CD1 3.94Å; V356-Y389 HydrophobicContact CG1-CD1 3.96Å; V356-Y389 HydrophobicContact CG2-CD1 3.94Å; V356-Y389 PolarHBondContact N-O 3.36Å
357	E	89.7	Confident	93.2	Very high	105 Å²	105	57 Å²	57	49%	0.491	27%	0.266	S	S	.	.	S	Bend	trans	-85.9	137.3	171.3	-76.8	-178.4	-174.8	0	0	111.8	H349 N351 Q355	H349-E357 PolarHBondContact ND1-O 2.84Å; H349-E357 PolarHBondContact O-N 3.24Å; N351-E357 HydrophobicContact CB-CG 3.95Å; N351-E357 WeakPolarHBondContact CB-OE1 3.36Å; N351-E357 PolarHBondContact ND2-OE1 3.47Å; Q355-E357 PolarHBondContact O-N 3.24Å
358	E	86.1	Confident	93.2	Very high	116 Å²	116	52.1 Å²	52.1	54%	0.542	24%	0.24	S	C	.	.	S	Bend	trans	54.1	53.8	178.4	-54.3	-172.5	101.6	0	0	113.5	Y360 K361 L362	E358-Y360 PolarHBondContact O-N 3.15Å; E358-K361 HydrophobicContact CB-CB 4.28Å; E358-K361 HydrophobicContact CB-CD 3.99Å; E358-K361 HydrophobicContact CB-CG 4.14Å; E358-K361 VanDerWaalsContact CD-CE 3.45Å; E358-K361 WeakPolarHBondContact O-CA 3.36Å; E358-K361 WeakPolarHBondContact O-CB 3.46Å; E358-K361 PolarHBondContact O-N 3.37Å; E358-K361 WeakPolarHBondContact OE1-CE 3.4Å; E358-K361 IonicContact OE1-NZ 2.87Å; E358-K361 PolarHBondContact OE1-NZ 3Å; E358-K361 WeakPolarHBondContact OE2-CD 3.41Å; E358-K361 WeakPolarHBondContact OE2-CE 3.4Å; E358-K361 IonicContact OE2-NZ 3.94Å; E358-K361 PolarHBondContact OE2-NZ 3.1Å; E358-L362 PolarHBondContact O-N 2.77Å
359	E	89	Confident	93.2	Very high	54 Å²	54	43.8 Å²	43.8	25%	0.252	21%	0.21	S	C	.	.	H	α-helix	trans	-39.1	-44.2	179.6	-177.9	-172.2	-179.9	0	0	114.1	K361 L362 R363 Y389	E359-K361 VanDerWaalsContact C-N 3.29Å; E359-K361 PolarHBondContact O-N 2.9Å; E359-L362 WeakPolarHBondContact O-CB 3.45Å; E359-L362 PolarHBondContact O-N 3.29Å; E359-L362 VanDerWaalsContact O-N 3.11Å; E359-R363 HydrophobicContact CG-CG 4.23Å; E359-R363 WeakPolarHBondContact O-CB 3.34Å; E359-R363 PolarHBondContact O-N 2.93Å; E359-R363 IonicContact OE1-CZ 2.78Å; E359-R363 IonicContact OE1-NE 3.19Å; E359-R363 PolarHBondContact OE1-NE 3.45Å; E359-R363 IonicContact OE1-NH2 3.8Å; E359-R363 PolarHBondContact OE1-NH2 3.34Å; E359-Y389 HydrophobicContact CB-CD1 4.43Å; E359-Y389 HydrophobicContact CG-CD1 3.71Å; E359-Y389 HydrophobicContact CG-CD2 4.22Å; E359-Y389 HydrophobicContact CG-CE1 3.95Å; E359-Y389 HydrophobicContact CG-CE2 4.47Å; E359-Y389 HydrophobicContact CG-CG 3.84Å; E359-Y389 WeakPolarHBondContact OE1-CD2 3.49Å; E359-Y389 WeakPolarHBondContact OE1-CE2 3.35Å
360	Y	87.5	Confident	93.3	Very high	76 Å²	76	42.5 Å²	42.5	30%	0.298	21%	0.205	S	C	.	.	H	α-helix	trans	-56.8	-38.3	177	174.9	-95.8	0	0	0	113.2	E358 K364 Y580 M659	E358-Y360 PolarHBondContact O-N 3.15Å; Y360-K364 HydrophobicContact CE1-CD 4.18Å; Y360-K364 WeakPolarHBondContact O-CB 3.47Å; Y360-K364 PolarHBondContact O-N 3.2Å; Y360-Y580 HydrophobicContact CE2-CD2 4.21Å; Y360-Y580 AromaticContact CE2-CE2 3.8Å; Y360-Y580 HydrophobicContact CE2-CE2 3.8Å; Y360-Y580 AromaticContact CZ-CE2 3.79Å; Y360-M659 HydrophobicContact CD2-CE 4.42Å
361	K	90.3	Very high	93.4	Very high	102 Å²	102	40.7 Å²	40.7	44%	0.443	20%	0.195	S	C	.	.	H	α-helix	trans	-69.6	-39.5	175.9	-67.2	-175.1	-175.9	170	0	111.5	E358 E359 K364 A365	E358-K361 HydrophobicContact CB-CB 4.28Å; E358-K361 HydrophobicContact CB-CD 3.99Å; E358-K361 HydrophobicContact CB-CG 4.14Å; E358-K361 VanDerWaalsContact CD-CE 3.45Å; E358-K361 WeakPolarHBondContact O-CA 3.36Å; E358-K361 WeakPolarHBondContact O-CB 3.46Å; E358-K361 PolarHBondContact O-N 3.37Å; E358-K361 WeakPolarHBondContact OE1-CE 3.4Å; E358-K361 IonicContact OE1-NZ 2.87Å; E358-K361 PolarHBondContact OE1-NZ 3Å; E358-K361 WeakPolarHBondContact OE2-CD 3.41Å; E358-K361 WeakPolarHBondContact OE2-CE 3.4Å; E358-K361 IonicContact OE2-NZ 3.94Å; E358-K361 PolarHBondContact OE2-NZ 3.1Å; E359-K361 VanDerWaalsContact C-N 3.29Å; E359-K361 PolarHBondContact O-N 2.9Å; K361-K364 PolarHBondContact O-N 2.74Å; K361-A365 VanDerWaalsContact O-CB 3.32Å; K361-A365 WeakPolarHBondContact O-CB 3.43Å; K361-A365 PolarHBondContact O-N 3.05Å
362	L	93.3	Very high	93.5	Very high	1 Å²	1	41.7 Å²	41.7	1%	0.005	20%	0.201	C	C	.	.	H	α-helix	trans	-62.1	-56.3	174.2	173.9	72.2	0	0	0	110.5	W346 H349 V356 E358 E359 K364 A365 I366 Y389	W346-L362 HydrophobicContact CE3-CD1 3.92Å; W346-L362 HydrophobicContact CZ3-CD1 3.91Å; W346-L362 HydrophobicContact CZ3-CD2 3.73Å; W346-L362 HydrophobicContact CZ3-CG 4.49Å; H349-L362 HydrophobicContact CB-CD1 4.34Å; V356-L362 HydrophobicContact CG1-CB 4.49Å; V356-L362 HydrophobicContact CG1-CD2 3.68Å; V356-L362 HydrophobicContact CG2-CD2 4.48Å; E358-L362 PolarHBondContact O-N 2.77Å; E359-L362 WeakPolarHBondContact O-CB 3.45Å; E359-L362 PolarHBondContact O-N 3.29Å; E359-L362 VanDerWaalsContact O-N 3.11Å; L362-K364 VanDerWaalsContact C-N 3.26Å; L362-K364 PolarHBondContact O-N 3.48Å; L362-A365 PolarHBondContact O-N 2.98Å; L362-I366 HydrophobicContact CD1-CD1 3.9Å; L362-I366 HydrophobicContact CD1-CG1 4.35Å; L362-I366 HydrophobicContact CG-CD1 3.89Å; L362-I366 WeakPolarHBondContact O-CG1 3.35Å; L362-I366 PolarHBondContact O-N 3.21Å; L362-Y389 HydrophobicContact CD2-CD1 4.39Å; L362-Y389 HydrophobicContact CD2-CE1 4Å
363	R	92.9	Very high	93.6	Very high	13 Å²	13	35.7 Å²	35.7	5%	0.049	18%	0.179	C	C	.	.	H	α-helix	trans	-50.7	-46.4	175.6	-77	-176.9	179.8	-149.4	9.7	111.1	E359 I366 F367 A578 H579 C655	E359-R363 HydrophobicContact CG-CG 4.23Å; E359-R363 WeakPolarHBondContact O-CB 3.34Å; E359-R363 PolarHBondContact O-N 2.93Å; E359-R363 IonicContact OE1-CZ 2.78Å; E359-R363 IonicContact OE1-NE 3.19Å; E359-R363 PolarHBondContact OE1-NE 3.45Å; E359-R363 IonicContact OE1-NH2 3.8Å; E359-R363 PolarHBondContact OE1-NH2 3.34Å; R363-I366 PolarHBondContact O-N 3.5Å; R363-F367 WeakPolarHBondContact O-CB 3.29Å; R363-F367 PolarHBondContact O-N 2.8Å; R363-A578 WeakPolarHBondContact CB-O 3.3Å; R363-A578 VanDerWaalsContact CD-O 3.3Å; R363-A578 WeakPolarHBondContact CD-O 3.34Å; R363-A578 VanDerWaalsContact CG-O 3.3Å; R363-A578 WeakPolarHBondContact CG-O 3.47Å; R363-A578 WeakPolarHBondContact O-CB 3.08Å; R363-H579 VanDerWaalsContact NH1-CB 3.28Å; R363-C655 PolarHBondContact NH1-O 3.46Å
364	K	92.5	Very high	93.6	Very high	21 Å²	21	38 Å²	38	9%	0.091	20%	0.195	C	C	.	.	H	α-helix	trans	-64.3	-42.4	176.8	-172.1	172.3	-173.6	-178.2	0	113.2	E334 Y338 Y360 K361 L362 F367 F368 Y580	E334-K364 IonicContact OE1-NZ 3.55Å; E334-K364 PolarHBondContact OE1-NZ 3.21Å; E334-K364 WeakPolarHBondContact OE2-CE 3.47Å; E334-K364 IonicContact OE2-NZ 3.55Å; E334-K364 PolarHBondContact OE2-NZ 2.86Å; Y338-K364 HydrophobicContact CE2-CG 4.43Å; Y338-K364 WeakPolarHBondContact OH-CD 3.43Å; Y338-K364 VanDerWaalsContact OH-CE 3.22Å; Y338-K364 WeakPolarHBondContact OH-CE 3.3Å; Y360-K364 HydrophobicContact CE1-CD 4.18Å; Y360-K364 WeakPolarHBondContact O-CB 3.47Å; Y360-K364 PolarHBondContact O-N 3.2Å; K361-K364 PolarHBondContact O-N 2.74Å; L362-K364 VanDerWaalsContact C-N 3.26Å; L362-K364 PolarHBondContact O-N 3.48Å; K364-F367 PolarHBondContact O-N 3.37Å; K364-F368 HydrophobicContact CG-CD2 3.88Å; K364-F368 HydrophobicContact CG-CE2 3.89Å; K364-F368 WeakPolarHBondContact O-CD2 3.17Å; K364-F368 PolarHBondContact O-N 3.3Å; K364-F368 VanDerWaalsContact O-N 3.15Å; K364-Y580 HydrophobicContact CB-CD2 3.86Å; K364-Y580 HydrophobicContact CB-CE2 3.69Å; K364-Y580 HydrophobicContact CD-CE2 3.7Å; K364-Y580 WeakPolarHBondContact CE-OH 3.47Å; K364-Y580 HydrophobicContact CG-CD2 4.1Å; K364-Y580 HydrophobicContact CG-CE2 3.51Å
365	A	94.9	Very high	93.7	Very high	13 Å²	13	38.2 Å²	38.2	11%	0.107	20%	0.195	C	C	.	.	H	α-helix	trans	-63.9	-41	177.3	0	0	0	0	0	111.8	Y338 V341 K361 L362 G369	Y338-A365 HydrophobicContact CD1-CB 4.06Å; Y338-A365 HydrophobicContact CE1-CB 4.39Å; V341-A365 HydrophobicContact CG2-CB 4.03Å; K361-A365 VanDerWaalsContact O-CB 3.32Å; K361-A365 WeakPolarHBondContact O-CB 3.43Å; K361-A365 PolarHBondContact O-N 3.05Å; L362-A365 PolarHBondContact O-N 2.98Å; A365-G369 WeakPolarHBondContact O-CA 3.46Å; A365-G369 PolarHBondContact O-N 3.5Å
366	I	96.4	Very high	93.8	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-64.9	-47.3	173.6	-63.9	171.6	0	0	0	110.4	V341 L362 R363 F368 G370 I371 V379 L383 E574 A578	V341-I366 HydrophobicContact CG2-CG1 3.9Å; L362-I366 HydrophobicContact CD1-CD1 3.9Å; L362-I366 HydrophobicContact CD1-CG1 4.35Å; L362-I366 HydrophobicContact CG-CD1 3.89Å; L362-I366 WeakPolarHBondContact O-CG1 3.35Å; L362-I366 PolarHBondContact O-N 3.21Å; R363-I366 PolarHBondContact O-N 3.5Å; I366-F368 VanDerWaalsContact C-N 3.3Å; I366-F368 PolarHBondContact O-N 2.89Å; I366-G370 VanDerWaalsContact O-CA 3.3Å; I366-G370 WeakPolarHBondContact O-CA 3.1Å; I366-G370 PolarHBondContact O-N 3.15Å; I366-I371 HydrophobicContact CD1-CD1 4.4Å; I366-I371 HydrophobicContact CG1-CG1 4.26Å; I366-I371 HydrophobicContact CG2-CD1 4.18Å; I366-I371 HydrophobicContact CG2-CG1 3.93Å; I366-V379 HydrophobicContact CD1-CG1 3.84Å; I366-L383 HydrophobicContact CD1-CD1 4.3Å; I366-L383 HydrophobicContact CD1-CD2 3.97Å; I366-L383 HydrophobicContact CG2-CD1 4.35Å; I366-E574 HydrophobicContact CG2-CB 4.18Å; I366-E574 WeakPolarHBondContact CG2-O 3.41Å; I366-A578 HydrophobicContact CB-CB 4.4Å; I366-A578 HydrophobicContact CG2-CB 4.17Å
367	F	95.9	Very high	93.9	Very high	1 Å²	1	36.3 Å²	36.3	0%	0.004	19%	0.192	C	C	.	.	H	α-helix	trans	-56.1	-39.6	-179.5	-180	-100	0	0	0	113.6	R363 K364 A575 A578 Y580 F585 R632 L635	R363-F367 WeakPolarHBondContact O-CB 3.29Å; R363-F367 PolarHBondContact O-N 2.8Å; K364-F367 PolarHBondContact O-N 3.37Å; F367-A575 HydrophobicContact CD2-CB 4.39Å; F367-A575 WeakPolarHBondContact CD2-O 3.18Å; F367-A578 HydrophobicContact CB-CB 3.9Å; F367-A578 HydrophobicContact CD2-CB 4.49Å; F367-Y580 HydrophobicContact CB-CD1 4.22Å; F367-Y580 HydrophobicContact CB-CG 4Å; F367-Y580 AromaticContact CD1-CD1 3.29Å; F367-Y580 HydrophobicContact CD1-CD1 3.29Å; F367-Y580 AromaticContact CD1-CE1 3.82Å; F367-Y580 HydrophobicContact CD1-CE1 3.82Å; F367-Y580 AromaticContact CD1-CG 3.97Å; F367-Y580 HydrophobicContact CD1-CG 3.97Å; F367-Y580 HydrophobicContact CD2-CD1 4.04Å; F367-Y580 HydrophobicContact CD2-CG 4.26Å; F367-Y580 AromaticContact CE1-CD1 3.49Å; F367-Y580 HydrophobicContact CE1-CD1 3.49Å; F367-Y580 VanDerWaalsContact CE1-CD1 3.49Å; F367-Y580 AromaticContact CE1-CE1 3.9Å; F367-Y580 HydrophobicContact CE1-CE1 3.9Å; F367-Y580 HydrophobicContact CE2-CD1 4.21Å; F367-Y580 AromaticContact CG-CD1 3.58Å; F367-Y580 HydrophobicContact CG-CD1 3.58Å; F367-Y580 AromaticContact CG-CG 3.81Å; F367-Y580 HydrophobicContact CG-CG 3.81Å; F367-Y580 AromaticContact CZ-CD1 3.95Å; F367-Y580 HydrophobicContact CZ-CD1 3.95Å; F367-F585 AromaticContact CE2-CD1 3.9Å; F367-F585 HydrophobicContact CE2-CD1 3.9Å; F367-F585 AromaticContact CE2-CD2 3.81Å; F367-F585 HydrophobicContact CE2-CD2 3.81Å; F367-F585 AromaticContact CE2-CE1 3.84Å; F367-F585 HydrophobicContact CE2-CE1 3.84Å; F367-F585 AromaticContact CE2-CE2 3.75Å; F367-F585 HydrophobicContact CE2-CE2 3.75Å; F367-F585 AromaticContact CE2-CG 3.89Å; F367-F585 HydrophobicContact CE2-CG 3.89Å; F367-F585 AromaticContact CE2-CZ 3.77Å; F367-F585 HydrophobicContact CE2-CZ 3.77Å; F367-F585 HydrophobicContact CZ-CD2 4.06Å; F367-F585 HydrophobicContact CZ-CE1 4.4Å; F367-F585 AromaticContact CZ-CE2 3.67Å; F367-F585 HydrophobicContact CZ-CE2 3.67Å; F367-F585 AromaticContact CZ-CZ 3.86Å; F367-F585 HydrophobicContact CZ-CZ 3.86Å; F367-R632 HydrophobicContact CE1-CB 4.4Å; F367-R632 HydrophobicContact CE1-CG 3.7Å; F367-R632 HydrophobicContact CZ-CG 3.79Å; F367-R632 PolarHBondContact O-NE 3.02Å; F367-R632 PolarHBondContact O-NH2 3.41Å; F367-L635 HydrophobicContact CE2-CD2 4.48Å; F367-L635 HydrophobicContact CZ-CD2 3.94Å
368	F	95.4	Very high	94.2	Very high	8 Å²	8	36.9 Å²	36.9	4%	0.035	19%	0.194	C	C	.	.	H	α-helix	trans	-90.8	-46.9	178.6	-72.2	-69.7	0	0	0	113.7	H332 E334 Y338 K364 I366 Y580 R632	H332-F368 HydrophobicContact CB-CE1 4.03Å; H332-F368 AromaticContact CE1-CE1 3.81Å; H332-F368 AromaticContact CE1-CZ 3.29Å; H332-F368 WeakPolarHBondContact CE1-CZ 3.34Å; H332-F368 AromaticContact CG-CE1 3.56Å; H332-F368 AromaticContact CG-CZ 3.82Å; H332-F368 AromaticContact ND1-CE1 3.33Å; H332-F368 VanDerWaalsContact ND1-CE1 3.33Å; H332-F368 WeakPolarHBondContact ND1-CE1 3.45Å; H332-F368 AromaticContact ND1-CZ 3.33Å; H332-F368 VanDerWaalsContact ND1-CZ 3.33Å; H332-F368 WeakPolarHBondContact ND1-CZ 3.3Å; H332-F368 AromaticContact NE2-CZ 3.73Å; E334-F368 HydrophobicContact CB-CZ 4.47Å; Y338-F368 HydrophobicContact CD2-CB 3.48Å; Y338-F368 VanDerWaalsContact CD2-CB 3.48Å; Y338-F368 AromaticContact CD2-CD2 3.68Å; Y338-F368 HydrophobicContact CD2-CD2 3.68Å; Y338-F368 AromaticContact CD2-CG 3.72Å; Y338-F368 HydrophobicContact CD2-CG 3.72Å; Y338-F368 HydrophobicContact CE2-CB 4.37Å; Y338-F368 AromaticContact CE2-CD2 3.7Å; Y338-F368 HydrophobicContact CE2-CD2 3.7Å; Y338-F368 HydrophobicContact CE2-CE2 4.39Å; Y338-F368 HydrophobicContact CE2-CG 4.19Å; Y338-F368 HydrophobicContact CG-CB 3.74Å; Y338-F368 HydrophobicContact CG-CD2 4.48Å; Y338-F368 HydrophobicContact CG-CG 4.44Å; K364-F368 HydrophobicContact CG-CD2 3.88Å; K364-F368 HydrophobicContact CG-CE2 3.89Å; K364-F368 WeakPolarHBondContact O-CD2 3.17Å; K364-F368 PolarHBondContact O-N 3.3Å; K364-F368 VanDerWaalsContact O-N 3.15Å; I366-F368 VanDerWaalsContact C-N 3.3Å; I366-F368 PolarHBondContact O-N 2.89Å; F368-Y580 AromaticContact CE2-CE1 3.88Å; F368-Y580 HydrophobicContact CE2-CE1 3.88Å; F368-Y580 HydrophobicContact CZ-CE1 4.08Å; F368-R632 HydrophobicContact CE1-CG 4.43Å; F368-R632 PolarHBondContact O-NH1 3.46Å; F368-R632 VanDerWaalsContact O-NH1 3.1Å; F368-R632 PolarHBondContact O-NH2 3.35Å
369	G	93.9	Very high	94.7	Very high	4 Å²	4	31.4 Å²	31.4	4%	0.041	17%	0.169	C	C	.	.	H	α-helix	trans	-83.2	-33.8	-174.9	0	0	0	0	0	114.9	R339 R340 A365	R339-G369 WeakPolarHBondContact O-CA 3.25Å; R340-G369 WeakPolarHBondContact CG-O 3.3Å; A365-G369 WeakPolarHBondContact O-CA 3.46Å; A365-G369 PolarHBondContact O-N 3.5Å
370	G	96.3	Very high	95.2	Very high	2 Å²	2	28.8 Å²	28.8	2%	0.021	16%	0.157	C	C	.	.			trans	72.7	-178.8	-159.2	0	0	0	0	0	112.2	R340 V341 I366 E574	R340-G370 CarbonylContact C-O 3.54Å; R340-G370 VanDerWaalsContact CA-O 3.29Å; R340-G370 WeakPolarHBondContact CA-O 3.26Å; V341-G370 PolarHBondContact N-O 3.1Å; I366-G370 VanDerWaalsContact O-CA 3.3Å; I366-G370 WeakPolarHBondContact O-CA 3.1Å; I366-G370 PolarHBondContact O-N 3.15Å; G370-E574 WeakPolarHBondContact CA-OE2 3.05Å
371	I	97.9	Very high	95.6	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	14%	0.143	C	C	.	.	B	Isolated β-bridge	trans	-101.1	154.1	-178.1	-45.3	-178.1	0	0	0	109.6	R340 I366 I375 R376 V379 L383 E574	R340-I371 PolarHBondContact NH1-O 2.95Å; I366-I371 HydrophobicContact CD1-CD1 4.4Å; I366-I371 HydrophobicContact CG1-CG1 4.26Å; I366-I371 HydrophobicContact CG2-CD1 4.18Å; I366-I371 HydrophobicContact CG2-CG1 3.93Å; I371-I375 HydrophobicContact CG2-CD1 3.91Å; I371-I375 HydrophobicContact CG2-CG1 3.54Å; I371-R376 HydrophobicContact CG2-CG 4.36Å; I371-V379 HydrophobicContact CD1-CB 4.24Å; I371-V379 HydrophobicContact CD1-CG1 3.86Å; I371-L383 HydrophobicContact CD1-CD1 3.81Å; I371-E574 HydrophobicContact CB-CG 4.49Å; I371-E574 HydrophobicContact CD1-CB 4.45Å; I371-E574 HydrophobicContact CD1-CG 3.75Å; I371-E574 HydrophobicContact CG1-CB 4.37Å; I371-E574 HydrophobicContact CG1-CG 3.85Å; I371-E574 PolarHBondContact N-OE2 3.08Å
372	D	97.3	Very high	95.9	Very high	52 Å²	52	20.4 Å²	20.4	28%	0.278	12%	0.122	S	C	.	.			trans	-78.2	135.1	161.4	-169.5	-90.1	0	0	0	110.7	V341 S374 I375	V341-D372 WeakPolarHBondContact O-CB 3.42Å; V341-D372 PolarHBondContact O-N 3.01Å; D372-S374 PolarHBondContact O-N 2.96Å; D372-S374 VanDerWaalsContact O-N 3.08Å; D372-S374 VanDerWaalsContact OD1-CB 3.31Å; D372-S374 WeakPolarHBondContact OD1-CB 3.42Å; D372-S374 PolarHBondContact OD1-N 2.73Å; D372-S374 PolarHBondContact OD1-OG 2.64Å; D372-I375 WeakPolarHBondContact O-CG1 3.42Å; D372-I375 PolarHBondContact O-N 3.25Å
373	P	96	Very high	95.9	Very high	63 Å²	63	20.5 Å²	20.5	41%	0.409	12%	0.123	S	C	.	.	G	3₁₀ helix	trans	-52.9	-33.8	-178.7	-28.3	36.3	0	0	0	114.3	I375 R376	P373-I375 PolarHBondContact O-N 3.29Å; P373-R376 PolarHBondContact O-N 3.47Å
374	S	96.1	Very high	96	Very high	88 Å²	88	20 Å²	20	62%	0.615	12%	0.121	S	C	*	.	G	3₁₀ helix	trans	-62.3	-13.5	-176.9	61.6	0	0	0	0	115.6	D372	D372-S374 PolarHBondContact O-N 2.96Å; D372-S374 VanDerWaalsContact O-N 3.08Å; D372-S374 VanDerWaalsContact OD1-CB 3.31Å; D372-S374 WeakPolarHBondContact OD1-CB 3.42Å; D372-S374 PolarHBondContact OD1-N 2.73Å; D372-S374 PolarHBondContact OD1-OG 2.64Å
375	I	97.1	Very high	96	Very high	9 Å²	9	22.9 Å²	22.9	5%	0.046	14%	0.135	C	C	.	.	G	3₁₀ helix	trans	-121.2	8.9	179.3	66.1	169.4	0	0	0	114.1	V341 V343 W346 I371 D372 P373 G377 E378 V379	V341-I375 HydrophobicContact CG1-CD1 4Å; V341-I375 VanDerWaalsContact O-CD1 3.32Å; V341-I375 WeakPolarHBondContact O-CD1 3.3Å; V343-I375 HydrophobicContact CB-CG2 4.28Å; V343-I375 HydrophobicContact CG2-CG2 3.55Å; W346-I375 HydrophobicContact CB-CD1 3.72Å; W346-I375 HydrophobicContact CG-CD1 4.18Å; I371-I375 HydrophobicContact CG2-CD1 3.91Å; I371-I375 HydrophobicContact CG2-CG1 3.54Å; D372-I375 WeakPolarHBondContact O-CG1 3.42Å; D372-I375 PolarHBondContact O-N 3.25Å; P373-I375 PolarHBondContact O-N 3.29Å; I375-G377 PolarHBondContact O-N 3.38Å; I375-E378 PolarHBondContact O-N 3.47Å; I375-E378 VanDerWaalsContact O-N 3.12Å; I375-V379 HydrophobicContact CB-CG2 4.37Å; I375-V379 HydrophobicContact CD1-CG2 3.84Å; I375-V379 HydrophobicContact CG1-CG2 4.09Å; I375-V379 WeakPolarHBondContact O-CG2 3.3Å; I375-V379 PolarHBondContact O-N 2.91Å
376	R	97.8	Very high	96.1	Very high	8 Å²	8	22.7 Å²	22.7	3%	0.03	13%	0.131	C	C	.	.	H	α-helix	trans	-59.6	-45.4	-177.5	-77.9	177.4	165.4	168.9	-8.3	112.9	I371 P373 E378 V379 W380 E488 E574	I371-R376 HydrophobicContact CG2-CG 4.36Å; P373-R376 PolarHBondContact O-N 3.47Å; R376-E378 PolarHBondContact O-N 3.04Å; R376-V379 PolarHBondContact O-N 2.91Å; R376-W380 HydrophobicContact CB-CD2 4.15Å; R376-W380 HydrophobicContact CB-CG 4.41Å; R376-W380 HydrophobicContact CB-CZ2 4.38Å; R376-W380 HydrophobicContact CG-CZ2 4.07Å; R376-W380 VanDerWaalsContact O-CB 3.23Å; R376-W380 WeakPolarHBondContact O-CB 3.39Å; R376-W380 PolarHBondContact O-N 2.83Å; R376-E488 HydrophobicContact CB-CB 4.02Å; R376-E488 HydrophobicContact CB-CG 4.35Å; R376-E488 WeakPolarHBondContact CD-OE1 3.31Å; R376-E488 WeakPolarHBondContact CD-OE2 3.3Å; R376-E488 IonicContact CZ-OE1 3.32Å; R376-E488 IonicContact NE-OE1 2.73Å; R376-E488 IonicContact NH1-OE1 3.9Å; R376-E488 PolarHBondContact NH1-OE1 2.82Å; R376-E574 IonicContact CZ-OE1 2.9Å; R376-E574 IonicContact NE-OE1 2.69Å; R376-E574 PolarHBondContact NE-OE1 3.12Å; R376-E574 IonicContact NH2-OE1 3.89Å; R376-E574 PolarHBondContact NH2-OE1 2.67Å
377	G	96.6	Very high	96.1	Very high	26 Å²	26	23.7 Å²	23.7	27%	0.268	14%	0.135	S	C	.	.	H	α-helix	trans	-58.5	-25.4	176.1	0	0	0	0	0	114.8	I375 P381 E488	I375-G377 PolarHBondContact O-N 3.38Å; G377-P381 VanDerWaalsContact O-CD 3.22Å; G377-P381 WeakPolarHBondContact O-CD 3.36Å; G377-P381 VanDerWaalsContact O-CG 3.26Å; G377-P381 WeakPolarHBondContact O-CG 3.48Å; G377-E488 VanDerWaalsContact CA-O 3.28Å; G377-E488 WeakPolarHBondContact CA-O 3.42Å; G377-E488 PolarHBondContact N-O 2.96Å
378	E	95.2	Very high	96	Very high	117 Å²	117	26.7 Å²	26.7	55%	0.547	16%	0.156	S	C	.	.	H	α-helix	trans	-87.5	-39.8	176.4	-68.7	-65.9	143.6	0	0	112.7	I375 R376 F382	I375-E378 PolarHBondContact O-N 3.47Å; I375-E378 VanDerWaalsContact O-N 3.12Å; R376-E378 PolarHBondContact O-N 3.04Å; E378-F382 WeakPolarHBondContact O-CD2 3.07Å; E378-F382 WeakPolarHBondContact O-CE2 3.14Å
379	V	97.4	Very high	95.9	Very high	1 Å²	1	26.9 Å²	26.9	1%	0.006	16%	0.156	C	C	.	.	H	α-helix	trans	-88.8	-37.2	-172.7	-177.3	0	0	0	0	112.8	W346 I366 I371 I375 R376 F382 L383	W346-V379 HydrophobicContact CD2-CG2 3.72Å; W346-V379 HydrophobicContact CE3-CG2 3.82Å; W346-V379 HydrophobicContact CG-CG2 4.22Å; W346-V379 HydrophobicContact CH2-CG2 4.21Å; W346-V379 HydrophobicContact CZ2-CG2 4.11Å; W346-V379 HydrophobicContact CZ3-CG1 4.42Å; W346-V379 HydrophobicContact CZ3-CG2 4.07Å; I366-V379 HydrophobicContact CD1-CG1 3.84Å; I371-V379 HydrophobicContact CD1-CB 4.24Å; I371-V379 HydrophobicContact CD1-CG1 3.86Å; I375-V379 HydrophobicContact CB-CG2 4.37Å; I375-V379 HydrophobicContact CD1-CG2 3.84Å; I375-V379 HydrophobicContact CG1-CG2 4.09Å; I375-V379 WeakPolarHBondContact O-CG2 3.3Å; I375-V379 PolarHBondContact O-N 2.91Å; R376-V379 PolarHBondContact O-N 2.91Å; V379-F382 PolarHBondContact O-N 3.42Å; V379-L383 HydrophobicContact CG1-CD1 4.32Å; V379-L383 HydrophobicContact CG1-CG 4.35Å; V379-L383 PolarHBondContact O-N 2.94Å
380	W	97.8	Very high	95.9	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-58.2	-38.7	-179.6	-73.8	6.8	0	0	0	113.8	R376 F382 L383 L384 L485 E488 L570 W577	R376-W380 HydrophobicContact CB-CD2 4.15Å; R376-W380 HydrophobicContact CB-CG 4.41Å; R376-W380 HydrophobicContact CB-CZ2 4.38Å; R376-W380 HydrophobicContact CG-CZ2 4.07Å; R376-W380 VanDerWaalsContact O-CB 3.23Å; R376-W380 WeakPolarHBondContact O-CB 3.39Å; R376-W380 PolarHBondContact O-N 2.83Å; W380-F382 PolarHBondContact O-N 2.94Å; W380-F382 VanDerWaalsContact O-N 3.16Å; W380-L383 PolarHBondContact O-N 3.24Å; W380-L383 VanDerWaalsContact O-N 3.12Å; W380-L384 HydrophobicContact CB-CD1 4.32Å; W380-L384 WeakPolarHBondContact O-CB 3.48Å; W380-L384 WeakPolarHBondContact O-CG 3.49Å; W380-L384 PolarHBondContact O-N 2.79Å; W380-L485 HydrophobicContact CE3-CD2 3.68Å; W380-L485 HydrophobicContact CZ3-CD2 3.81Å; W380-E488 HydrophobicContact CE3-CB 4.08Å; W380-E488 HydrophobicContact CE3-CG 4.48Å; W380-E488 HydrophobicContact CH2-CB 4.22Å; W380-E488 HydrophobicContact CH2-CG 3.72Å; W380-E488 HydrophobicContact CZ2-CG 4.49Å; W380-E488 HydrophobicContact CZ3-CB 3.73Å; W380-E488 HydrophobicContact CZ3-CG 3.7Å; W380-L570 HydrophobicContact CH2-CD1 4.01Å; W380-L570 HydrophobicContact CH2-CD2 3.73Å; W380-L570 HydrophobicContact CH2-CG 4.34Å; W380-L570 HydrophobicContact CZ2-CB 4.47Å; W380-L570 HydrophobicContact CZ2-CD1 4.42Å; W380-L570 HydrophobicContact CZ2-CD2 4.21Å; W380-W577 HydrophobicContact CD2-CH2 4.47Å; W380-W577 AromaticContact CD2-CZ3 3.86Å; W380-W577 HydrophobicContact CD2-CZ3 3.86Å; W380-W577 AromaticContact CE2-CZ3 3.79Å; W380-W577 HydrophobicContact CE3-CZ3 4.36Å; W380-W577 HydrophobicContact CG-CZ3 4.09Å; W380-W577 HydrophobicContact CZ2-CZ3 4.21Å; W380-W577 AromaticContact NE1-CZ3 3.98Å
381	P	97.2	Very high	95.9	Very high	1 Å²	1	33.3 Å²	33.3	1%	0.006	19%	0.191	C	C	.	.	H	α-helix	trans	-52.6	-30.8	171.2	-34	39.6	0	0	0	116.1	G377 Y386 Y387	G377-P381 VanDerWaalsContact O-CD 3.22Å; G377-P381 WeakPolarHBondContact O-CD 3.36Å; G377-P381 VanDerWaalsContact O-CG 3.26Å; G377-P381 WeakPolarHBondContact O-CG 3.48Å; P381-Y386 HydrophobicContact CB-CD1 4.04Å; P381-Y386 WeakPolarHBondContact O-CA 3.23Å; P381-Y386 WeakPolarHBondContact O-CB 3.24Å; P381-Y386 PolarHBondContact O-N 2.7Å; P381-Y387 HydrophobicContact CB-CD2 3.28Å; P381-Y387 HydrophobicContact CB-CE2 3.23Å; P381-Y387 HydrophobicContact CB-CG 3.98Å; P381-Y387 HydrophobicContact CG-CD2 4.35Å; P381-Y387 HydrophobicContact CG-CE2 3.87Å; P381-Y387 PolarHBondContact O-N 2.78Å
382	F	95.8	Very high	95.9	Very high	1 Å²	1	34.1 Å²	34.1	0%	0.004	20%	0.197	C	C	.	.	H	α-helix	trans	-79.3	-43.3	174.6	-65.8	-94.2	0	0	0	111.8	W346 V356 E378 V379 W380 L384 H385 Y387 Y389	W346-F382 AromaticContact CH2-CD2 3.77Å; W346-F382 HydrophobicContact CH2-CD2 3.77Å; W346-F382 AromaticContact CH2-CE2 3.65Å; W346-F382 HydrophobicContact CH2-CE2 3.65Å; W346-F382 HydrophobicContact CH2-CG 4.42Å; W346-F382 HydrophobicContact CH2-CZ 4.2Å; W346-F382 HydrophobicContact CZ2-CD2 4.13Å; W346-F382 AromaticContact CZ2-CE2 3.67Å; W346-F382 HydrophobicContact CZ2-CE2 3.67Å; W346-F382 HydrophobicContact CZ2-CZ 4.33Å; V356-F382 HydrophobicContact CG2-CD1 4.12Å; V356-F382 HydrophobicContact CG2-CE1 3.87Å; V356-F382 HydrophobicContact CG2-CZ 4.33Å; E378-F382 WeakPolarHBondContact O-CD2 3.07Å; E378-F382 WeakPolarHBondContact O-CE2 3.14Å; V379-F382 PolarHBondContact O-N 3.42Å; W380-F382 PolarHBondContact O-N 2.94Å; W380-F382 VanDerWaalsContact O-N 3.16Å; F382-L384 VanDerWaalsContact C-N 3.26Å; F382-L384 PolarHBondContact O-N 2.88Å; F382-H385 PolarHBondContact O-N 2.83Å; F382-Y387 HydrophobicContact CD2-CD2 4.01Å; F382-Y387 HydrophobicContact CE1-CD2 4.5Å; F382-Y387 AromaticContact CE2-CD2 3.78Å; F382-Y387 HydrophobicContact CE2-CD2 3.78Å; F382-Y387 HydrophobicContact CG-CD2 4.47Å; F382-Y387 HydrophobicContact CZ-CD2 4.07Å; F382-Y389 HydrophobicContact CB-CD1 4.33Å; F382-Y389 HydrophobicContact CB-CE1 3.75Å; F382-Y389 HydrophobicContact CD1-CD1 4.13Å; F382-Y389 HydrophobicContact CD1-CE1 4.41Å; F382-Y389 HydrophobicContact CD1-CG 4.45Å; F382-Y389 HydrophobicContact CG-CE1 4.46Å; F382-Y389 PolarHBondContact O-OH 3.12Å; F382-Y389 VanDerWaalsContact O-OH 3.12Å
383	L	94.5	Very high	95.8	Very high	3 Å²	3	34.7 Å²	34.7	2%	0.016	21%	0.205	C	C	.	.	H	α-helix	trans	-63.7	-32.1	177.7	-63.9	-179.1	0	0	0	112.7	I366 I371 V379 W380 H385 W577	I366-L383 HydrophobicContact CD1-CD1 4.3Å; I366-L383 HydrophobicContact CD1-CD2 3.97Å; I366-L383 HydrophobicContact CG2-CD1 4.35Å; I371-L383 HydrophobicContact CD1-CD1 3.81Å; V379-L383 HydrophobicContact CG1-CD1 4.32Å; V379-L383 HydrophobicContact CG1-CG 4.35Å; V379-L383 PolarHBondContact O-N 2.94Å; W380-L383 PolarHBondContact O-N 3.24Å; W380-L383 VanDerWaalsContact O-N 3.12Å; L383-H385 VanDerWaalsContact C-N 3.34Å; L383-W577 HydrophobicContact CB-CB 3.92Å; L383-W577 HydrophobicContact CD1-CB 4.46Å; L383-W577 HydrophobicContact CD1-CE3 4.37Å
384	L	94.4	Very high	95.9	Very high	2 Å²	2	39.5 Å²	39.5	1%	0.01	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94	12.5	178.8	-59.7	174.4	0	0	0	112.6	W380 F382 Y386 L485 C498 G501 L502 W577	W380-L384 HydrophobicContact CB-CD1 4.32Å; W380-L384 WeakPolarHBondContact O-CB 3.48Å; W380-L384 WeakPolarHBondContact O-CG 3.49Å; W380-L384 PolarHBondContact O-N 2.79Å; F382-L384 VanDerWaalsContact C-N 3.26Å; F382-L384 PolarHBondContact O-N 2.88Å; L384-Y386 PolarHBondContact O-N 3.07Å; L384-L485 HydrophobicContact CD1-CD1 4.49Å; L384-L485 HydrophobicContact CD1-CD2 3.65Å; L384-C498 HydrophobicContact CD1-CB 3.85Å; L384-G501 VanDerWaalsContact O-CA 3.26Å; L384-G501 WeakPolarHBondContact O-CA 3.15Å; L384-L502 HydrophobicContact CD2-CB 4.09Å; L384-L502 HydrophobicContact CD2-CD1 3.6Å; L384-L502 HydrophobicContact CD2-CG 4.49Å; L384-W577 HydrophobicContact CD1-CH2 4.43Å; L384-W577 HydrophobicContact CD2-CD2 3.75Å; L384-W577 HydrophobicContact CD2-CE3 4.12Å; L384-W577 HydrophobicContact CD2-CG 4.15Å; L384-W577 HydrophobicContact CD2-CH2 4.2Å; L384-W577 HydrophobicContact CD2-CZ2 3.89Å; L384-W577 HydrophobicContact CD2-CZ3 4.32Å
385	H	92.8	Very high	96	Very high	82 Å²	82	40.8 Å²	40.8	38%	0.38	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.2	21.1	177.8	-62.1	-77	0	0	0	115.8	F382 L383 Y387	F382-H385 PolarHBondContact O-N 2.83Å; L383-H385 VanDerWaalsContact C-N 3.34Å; H385-Y387 VanDerWaalsContact C-N 3.33Å
386	Y	95.8	Very high	96	Very high	8 Å²	8	41.7 Å²	41.7	3%	0.031	22%	0.221	C	C	.	.	S	Bend	trans	-69.6	-34.7	167.8	178.2	-145.6	0	0	0	110.8	P381 L384 W399 K403 D494 W497	P381-Y386 HydrophobicContact CB-CD1 4.04Å; P381-Y386 WeakPolarHBondContact O-CA 3.23Å; P381-Y386 WeakPolarHBondContact O-CB 3.24Å; P381-Y386 PolarHBondContact O-N 2.7Å; L384-Y386 PolarHBondContact O-N 3.07Å; Y386-W399 AromaticContact CD2-NE1 3.73Å; Y386-W399 AromaticContact CE2-CD1 3.91Å; Y386-W399 AromaticContact CE2-NE1 3.69Å; Y386-W399 PolarHBondContact O-NE1 3.15Å; Y386-K403 HydrophobicContact CE2-CB 4.15Å; Y386-K403 HydrophobicContact CE2-CD 3.98Å; Y386-K403 HydrophobicContact CE2-CG 3.88Å; Y386-D494 HydrophobicContact CE1-CB 3.86Å; Y386-D494 VanDerWaalsContact CE1-OD1 3.3Å; Y386-D494 WeakPolarHBondContact CE1-OD1 3.36Å; Y386-D494 PolarHBondContact OH-OD1 2.67Å; Y386-W497 HydrophobicContact CD1-CB 4.41Å; Y386-W497 HydrophobicContact CD2-CB 3.53Å; Y386-W497 HydrophobicContact CD2-CG 4.36Å; Y386-W497 HydrophobicContact CE1-CB 4.33Å; Y386-W497 HydrophobicContact CE2-CB 3.43Å; Y386-W497 VanDerWaalsContact CE2-CB 3.43Å; Y386-W497 AromaticContact CE2-CG 3.89Å; Y386-W497 HydrophobicContact CE2-CG 3.89Å; Y386-W497 HydrophobicContact CG-CB 4.04Å
387	Y	96	Very high	96	Very high	22 Å²	22	44.5 Å²	44.5	9%	0.086	23%	0.234	C	C	.	.	S	Bend	trans	-113.6	147.8	170.5	-55.6	-31	0	0	0	111.7	P381 F382 H385 R396 R400	P381-Y387 HydrophobicContact CB-CD2 3.28Å; P381-Y387 HydrophobicContact CB-CE2 3.23Å; P381-Y387 HydrophobicContact CB-CG 3.98Å; P381-Y387 HydrophobicContact CG-CD2 4.35Å; P381-Y387 HydrophobicContact CG-CE2 3.87Å; P381-Y387 PolarHBondContact O-N 2.78Å; F382-Y387 HydrophobicContact CD2-CD2 4.01Å; F382-Y387 HydrophobicContact CE1-CD2 4.5Å; F382-Y387 AromaticContact CE2-CD2 3.78Å; F382-Y387 HydrophobicContact CE2-CD2 3.78Å; F382-Y387 HydrophobicContact CG-CD2 4.47Å; F382-Y387 HydrophobicContact CZ-CD2 4.07Å; H385-Y387 VanDerWaalsContact C-N 3.33Å; Y387-R396 HydrophobicContact CD1-CB 4.48Å; Y387-R396 HydrophobicContact CD1-CG 3.94Å; Y387-R396 HydrophobicContact CD2-CG 4.29Å; Y387-R396 HydrophobicContact CE1-CB 4.41Å; Y387-R396 HydrophobicContact CE1-CG 4.34Å; Y387-R396 HydrophobicContact CG-CG 3.95Å; Y387-R400 HydrophobicContact CE1-CG 4.22Å; Y387-R400 WeakPolarHBondContact OH-CD 3.49Å
388	S	94.3	Very high	96.1	Very high	63 Å²	63	46.2 Å²	46.2	44%	0.441	25%	0.246	S	C	.	.			trans	-81.9	143.3	165	-179	0	0	0	0	110.6	D390 S391	S388-D390 PolarHBondContact O-N 3.01Å; S388-D390 PolarHBondContact OG-N 3.21Å; S388-S391 VanDerWaalsContact O-CB 3.3Å; S388-S391 WeakPolarHBondContact O-CB 3.28Å; S388-S391 PolarHBondContact O-N 3.25Å; S388-S391 VanDerWaalsContact O-N 3.08Å; S388-S391 PolarHBondContact O-OG 3.41Å
389	Y	93.2	Very high	96.2	Very high	12 Å²	12	45.4 Å²	45.4	5%	0.047	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-33.3	172.1	-65.2	-87.4	0	0	0	112.2	V356 E359 L362 F382 S391	V356-Y389 HydrophobicContact CB-CD1 3.94Å; V356-Y389 HydrophobicContact CG1-CD1 3.96Å; V356-Y389 HydrophobicContact CG2-CD1 3.94Å; V356-Y389 PolarHBondContact N-O 3.36Å; E359-Y389 HydrophobicContact CB-CD1 4.43Å; E359-Y389 HydrophobicContact CG-CD1 3.71Å; E359-Y389 HydrophobicContact CG-CD2 4.22Å; E359-Y389 HydrophobicContact CG-CE1 3.95Å; E359-Y389 HydrophobicContact CG-CE2 4.47Å; E359-Y389 HydrophobicContact CG-CG 3.84Å; E359-Y389 WeakPolarHBondContact OE1-CD2 3.49Å; E359-Y389 WeakPolarHBondContact OE1-CE2 3.35Å; L362-Y389 HydrophobicContact CD2-CD1 4.39Å; L362-Y389 HydrophobicContact CD2-CE1 4Å; F382-Y389 HydrophobicContact CB-CD1 4.33Å; F382-Y389 HydrophobicContact CB-CE1 3.75Å; F382-Y389 HydrophobicContact CD1-CD1 4.13Å; F382-Y389 HydrophobicContact CD1-CE1 4.41Å; F382-Y389 HydrophobicContact CD1-CG 4.45Å; F382-Y389 HydrophobicContact CG-CE1 4.46Å; F382-Y389 PolarHBondContact O-OH 3.12Å; F382-Y389 VanDerWaalsContact O-OH 3.12Å; Y389-S391 VanDerWaalsContact C-N 3.26Å; Y389-S391 PolarHBondContact O-N 3.3Å
390	D	94.3	Very high	96.2	Very high	125 Å²	125	48.5 Å²	48.5	67%	0.668	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.2	-9.7	176.4	-60.5	-56.8	0	0	0	114.1	Q355 S388	Q355-D390 WeakPolarHBondContact CG-O 3.44Å; Q355-D390 PolarHBondContact NE2-O 3.18Å; S388-D390 PolarHBondContact O-N 3.01Å; S388-D390 PolarHBondContact OG-N 3.21Å
391	S	96.4	Very high	96.2	Very high	16 Å²	16	53.1 Å²	53.1	11%	0.112	27%	0.273	C	S	.	.			trans	-72	140.5	-174.8	65.9	0	0	0	0	112.8	Q355 S388 Y389 R396	Q355-S391 WeakPolarHBondContact CA-O 3.4Å; Q355-S391 WeakPolarHBondContact CG-O 3.43Å; S388-S391 VanDerWaalsContact O-CB 3.3Å; S388-S391 WeakPolarHBondContact O-CB 3.28Å; S388-S391 PolarHBondContact O-N 3.25Å; S388-S391 VanDerWaalsContact O-N 3.08Å; S388-S391 PolarHBondContact O-OG 3.41Å; Y389-S391 VanDerWaalsContact C-N 3.26Å; Y389-S391 PolarHBondContact O-N 3.3Å; S391-R396 PolarHBondContact O-NH1 3.29Å; S391-R396 VanDerWaalsContact OG-CG 3.27Å; S391-R396 WeakPolarHBondContact OG-CG 3.5Å; S391-R396 PolarHBondContact OG-NH1 2.93Å
392	S	97.6	Very high	96.2	Very high	18 Å²	18	58.9 Å²	58.9	13%	0.126	30%	0.3	C	S	.	.			trans	-76.8	162	166.3	66.4	0	0	0	0	111.9	S353 Q394 E395 R396	S353-S392 CarbonylContact O-C 3.6Å; S353-S392 WeakPolarHBondContact O-CA 3.48Å; S353-S392 WeakPolarHBondContact O-CB 3.33Å; S392-Q394 PolarHBondContact O-N 2.88Å; S392-E395 VanDerWaalsContact CB-OE2 3.23Å; S392-E395 WeakPolarHBondContact CB-OE2 3.48Å; S392-E395 PolarHBondContact N-OE2 3.43Å; S392-E395 PolarHBondContact O-N 2.83Å; S392-E395 VanDerWaalsContact OG-CD 3.27Å; S392-E395 VanDerWaalsContact OG-CG 3.29Å; S392-E395 WeakPolarHBondContact OG-CG 3.34Å; S392-E395 PolarHBondContact OG-N 3.04Å; S392-E395 PolarHBondContact OG-OE2 3.24Å; S392-R396 PolarHBondContact O-N 2.65Å
393	S	96.5	Very high	96.4	Very high	64 Å²	64	60.5 Å²	60.5	45%	0.448	31%	0.307	S	S	.	.	H	α-helix	trans	-59.7	-32.4	173.3	-66.8	0	0	0	0	112.7	S353 G354 R396 E397	S353-S393 PolarHBondContact O-N 2.83Å; G354-S393 WeakPolarHBondContact CA-OG 3.5Å; S393-R396 PolarHBondContact OG-NH2 3.02Å; S393-R396 VanDerWaalsContact OG-NH2 3.17Å; S393-E397 PolarHBondContact O-N 2.76Å; S393-E397 VanDerWaalsContact O-N 3.14Å
394	Q	97.4	Very high	96.5	Very high	164 Å²	164	65 Å²	65	77%	0.766	32%	0.324	S	S	*	.	H	α-helix	trans	-72.2	-40.7	178.8	-172.3	176.1	13.6	0	0	112	S392 E397 A398	S392-Q394 PolarHBondContact O-N 2.88Å; Q394-E397 PolarHBondContact O-N 2.87Å; Q394-A398 PolarHBondContact O-N 2.85Å; Q394-A398 VanDerWaalsContact O-N 3.11Å
395	E	97.9	Very high	96.7	Very high	115 Å²	115	67.3 Å²	67.3	54%	0.537	34%	0.344	S	S	.	.	H	α-helix	trans	-65.9	-39	175.4	-71.8	161	130.4	0	0	111.4	S392 A398 W399	S392-E395 VanDerWaalsContact CB-OE2 3.23Å; S392-E395 WeakPolarHBondContact CB-OE2 3.48Å; S392-E395 PolarHBondContact N-OE2 3.43Å; S392-E395 PolarHBondContact O-N 2.83Å; S392-E395 VanDerWaalsContact OG-CD 3.27Å; S392-E395 VanDerWaalsContact OG-CG 3.29Å; S392-E395 WeakPolarHBondContact OG-CG 3.34Å; S392-E395 PolarHBondContact OG-N 3.04Å; S392-E395 PolarHBondContact OG-OE2 3.24Å; E395-A398 PolarHBondContact O-N 3.03Å; E395-W399 VanDerWaalsContact O-CB 3.24Å; E395-W399 WeakPolarHBondContact O-CB 3.43Å; E395-W399 PolarHBondContact O-N 3.03Å
396	R	97.7	Very high	97	Very high	27 Å²	27	66.8 Å²	66.8	10%	0.102	34%	0.341	C	S	.	.	H	α-helix	trans	-61.2	-42.6	173.4	-73.3	-166.5	-66.1	-83.2	6.3	112.7	G354 Y387 S391 S392 S393 W399 R400	G354-R396 VanDerWaalsContact O-CZ 3.29Å; G354-R396 PolarHBondContact O-NH1 2.95Å; G354-R396 PolarHBondContact O-NH2 3.38Å; Y387-R396 HydrophobicContact CD1-CB 4.48Å; Y387-R396 HydrophobicContact CD1-CG 3.94Å; Y387-R396 HydrophobicContact CD2-CG 4.29Å; Y387-R396 HydrophobicContact CE1-CB 4.41Å; Y387-R396 HydrophobicContact CE1-CG 4.34Å; Y387-R396 HydrophobicContact CG-CG 3.95Å; S391-R396 PolarHBondContact O-NH1 3.29Å; S391-R396 VanDerWaalsContact OG-CG 3.27Å; S391-R396 WeakPolarHBondContact OG-CG 3.5Å; S391-R396 PolarHBondContact OG-NH1 2.93Å; S392-R396 PolarHBondContact O-N 2.65Å; S393-R396 PolarHBondContact OG-NH2 3.02Å; S393-R396 VanDerWaalsContact OG-NH2 3.17Å; R396-W399 WeakPolarHBondContact O-CB 3.35Å; R396-W399 PolarHBondContact O-N 3.17Å; R396-R400 WeakPolarHBondContact O-CG 3.44Å; R396-R400 PolarHBondContact O-N 3.3Å
397	E	97	Very high	97.1	Very high	68 Å²	68	67.1 Å²	67.1	32%	0.318	34%	0.343	S	S	.	.	H	α-helix	trans	-66.5	-41.7	178.7	-170.4	57.7	-158	0	0	112	S393 Q394 W399 R400 L401	S393-E397 PolarHBondContact O-N 2.76Å; S393-E397 VanDerWaalsContact O-N 3.14Å; Q394-E397 PolarHBondContact O-N 2.87Å; E397-W399 VanDerWaalsContact C-N 3.33Å; E397-W399 PolarHBondContact O-N 2.85Å; E397-R400 PolarHBondContact O-N 3.35Å; E397-R400 IonicContact OE1-NH2 2.87Å; E397-R400 IonicContact OE2-CZ 3.17Å; E397-R400 IonicContact OE2-NE 3.43Å; E397-R400 PolarHBondContact OE2-NE 2.96Å; E397-R400 IonicContact OE2-NH2 2.69Å; E397-R400 PolarHBondContact OE2-NH2 3.06Å; E397-L401 WeakPolarHBondContact O-CG 3.37Å; E397-L401 PolarHBondContact O-N 2.95Å; E397-L401 VanDerWaalsContact O-N 3.08Å
398	A	97.9	Very high	97.3	Very high	61 Å²	61	70.4 Å²	70.4	50%	0.504	36%	0.359	S	S	.	.	H	α-helix	trans	-61.4	-41.5	173	0	0	0	0	0	112.2	Q394 E395 L401 Q402	Q394-A398 PolarHBondContact O-N 2.85Å; Q394-A398 VanDerWaalsContact O-N 3.11Å; E395-A398 PolarHBondContact O-N 3.03Å; A398-L401 PolarHBondContact O-N 3.22Å; A398-Q402 PolarHBondContact O-N 2.85Å; A398-Q402 VanDerWaalsContact O-N 3.08Å
399	W	97.6	Very high	97.5	Very high	101 Å²	101	71.6 Å²	71.6	38%	0.383	36%	0.36	S	S	.	.	H	α-helix	trans	-62.6	-45.8	175.7	-178	-117.7	0	0	0	111.9	Y386 E395 R396 E397 L401 Q402 K403	Y386-W399 AromaticContact CD2-NE1 3.73Å; Y386-W399 AromaticContact CE2-CD1 3.91Å; Y386-W399 AromaticContact CE2-NE1 3.69Å; Y386-W399 PolarHBondContact O-NE1 3.15Å; E395-W399 VanDerWaalsContact O-CB 3.24Å; E395-W399 WeakPolarHBondContact O-CB 3.43Å; E395-W399 PolarHBondContact O-N 3.03Å; R396-W399 WeakPolarHBondContact O-CB 3.35Å; R396-W399 PolarHBondContact O-N 3.17Å; E397-W399 VanDerWaalsContact C-N 3.33Å; E397-W399 PolarHBondContact O-N 2.85Å; W399-L401 PolarHBondContact O-N 2.89Å; W399-Q402 PolarHBondContact O-N 2.9Å; W399-K403 HydrophobicContact CD2-CG 4.06Å; W399-K403 HydrophobicContact CG-CG 4.29Å; W399-K403 HydrophobicContact CZ2-CD 4.49Å; W399-K403 WeakPolarHBondContact O-CB 3.42Å; W399-K403 WeakPolarHBondContact O-CG 3.32Å; W399-K403 PolarHBondContact O-N 2.87Å
400	R	97.7	Very high	97.7	Very high	65 Å²	65	71 Å²	71	25%	0.245	36%	0.358	C	S	.	.	H	α-helix	trans	-56.9	-45.8	174.4	-75.8	-148.2	-66.9	-177.4	-4.5	112.6	Y387 R396 E397 K403 R404 D494	Y387-R400 HydrophobicContact CE1-CG 4.22Å; Y387-R400 WeakPolarHBondContact OH-CD 3.49Å; R396-R400 WeakPolarHBondContact O-CG 3.44Å; R396-R400 PolarHBondContact O-N 3.3Å; E397-R400 PolarHBondContact O-N 3.35Å; E397-R400 IonicContact OE1-NH2 2.87Å; E397-R400 IonicContact OE2-CZ 3.17Å; E397-R400 IonicContact OE2-NE 3.43Å; E397-R400 PolarHBondContact OE2-NE 2.96Å; E397-R400 IonicContact OE2-NH2 2.69Å; E397-R400 PolarHBondContact OE2-NH2 3.06Å; R400-K403 PolarHBondContact O-N 2.89Å; R400-R404 WeakPolarHBondContact O-CB 3.45Å; R400-R404 PolarHBondContact O-N 3.4Å; R400-D494 WeakPolarHBondContact CD-OD1 3.39Å; R400-D494 WeakPolarHBondContact CD-OD2 3.3Å; R400-D494 IonicContact CZ-OD2 3.37Å; R400-D494 IonicContact NE-OD2 2.71Å; R400-D494 IonicContact NH1-OD2 2.65Å; R400-D494 PolarHBondContact NH1-OD2 2.92Å
401	L	97.9	Very high	97.9	Very high	97 Å²	97	66.8 Å²	66.8	51%	0.508	33%	0.334	S	S	.	.	H	α-helix	trans	-63	-43.7	178.7	-67.9	171.2	0	0	0	111.6	E397 A398 W399 K403 A405	E397-L401 WeakPolarHBondContact O-CG 3.37Å; E397-L401 PolarHBondContact O-N 2.95Å; E397-L401 VanDerWaalsContact O-N 3.08Å; A398-L401 PolarHBondContact O-N 3.22Å; W399-L401 PolarHBondContact O-N 2.89Å; L401-K403 VanDerWaalsContact C-N 3.35Å; L401-K403 PolarHBondContact O-N 3.48Å; L401-A405 PolarHBondContact O-N 2.88Å; L401-A405 VanDerWaalsContact O-N 3.14Å
402	Q	98.4	Very high	98	Very high	123 Å²	123	70.1 Å²	70.1	58%	0.575	35%	0.348	S	S	*	.	H	α-helix	trans	-61.8	-41.6	173.5	-174	-176.4	16.1	0	0	112.1	A398 W399 A405 H406	A398-Q402 PolarHBondContact O-N 2.85Å; A398-Q402 VanDerWaalsContact O-N 3.08Å; W399-Q402 PolarHBondContact O-N 2.9Å; Q402-A405 PolarHBondContact O-N 3.25Å; Q402-H406 PolarHBondContact O-N 3.23Å
403	K	98.1	Very high	98	Very high	35 Å²	35	75 Å²	75	15%	0.152	36%	0.363	C	S	.	.	H	α-helix	trans	-72.3	-35.2	-177.6	-77.6	-87.1	-176.5	167.8	0	112.7	Y386 W399 R400 L401 H406 Y407 W497	Y386-K403 HydrophobicContact CE2-CB 4.15Å; Y386-K403 HydrophobicContact CE2-CD 3.98Å; Y386-K403 HydrophobicContact CE2-CG 3.88Å; W399-K403 HydrophobicContact CD2-CG 4.06Å; W399-K403 HydrophobicContact CG-CG 4.29Å; W399-K403 HydrophobicContact CZ2-CD 4.49Å; W399-K403 WeakPolarHBondContact O-CB 3.42Å; W399-K403 WeakPolarHBondContact O-CG 3.32Å; W399-K403 PolarHBondContact O-N 2.87Å; R400-K403 PolarHBondContact O-N 2.89Å; L401-K403 VanDerWaalsContact C-N 3.35Å; L401-K403 PolarHBondContact O-N 3.48Å; K403-H406 PolarHBondContact O-N 3.36Å; K403-Y407 WeakPolarHBondContact O-CB 3.48Å; K403-Y407 PolarHBondContact O-N 2.87Å; K403-W497 HydrophobicContact CB-CG 4.4Å; K403-W497 HydrophobicContact CD-CD2 3.46Å; K403-W497 VanDerWaalsContact CD-CD2 3.46Å; K403-W497 HydrophobicContact CD-CE3 3.98Å; K403-W497 HydrophobicContact CD-CG 3.75Å; K403-W497 HydrophobicContact CD-CH2 4.37Å; K403-W497 HydrophobicContact CD-CZ2 3.89Å; K403-W497 HydrophobicContact CD-CZ3 4.41Å; K403-W497 PolarHBondContact O-NE1 3.04Å
404	R	98.5	Very high	98	Very high	96 Å²	96	73 Å²	73	36%	0.362	35%	0.346	S	S	.	.	H	α-helix	trans	-67.3	-38.6	171.7	-170.9	-179.3	-75.3	139.7	-6	111.8	R400 Y407 H408 D491 S493	R400-R404 WeakPolarHBondContact O-CB 3.45Å; R400-R404 PolarHBondContact O-N 3.4Å; R404-Y407 PolarHBondContact O-N 3.34Å; R404-H408 PolarHBondContact O-N 3.48Å; R404-D491 IonicContact CZ-OD2 3.58Å; R404-D491 IonicContact NE-OD2 2.68Å; R404-D491 IonicContact NH2-OD2 2.74Å; R404-D491 PolarHBondContact NH2-OD2 3.42Å; R404-S493 VanDerWaalsContact CA-OG 3.29Å; R404-S493 WeakPolarHBondContact CA-OG 3.23Å
405	A	98.6	Very high	98	Very high	52 Å²	52	70.3 Å²	70.3	43%	0.43	34%	0.336	S	S	.	.	H	α-helix	trans	-62	-48.7	171.2	0	0	0	0	0	111.4	L401 Q402 Y407 H408 D409	L401-A405 PolarHBondContact O-N 2.88Å; L401-A405 VanDerWaalsContact O-N 3.14Å; Q402-A405 PolarHBondContact O-N 3.25Å; A405-Y407 VanDerWaalsContact C-N 3.34Å; A405-Y407 PolarHBondContact O-N 2.71Å; A405-H408 WeakPolarHBondContact O-CA 3.32Å; A405-H408 WeakPolarHBondContact O-CB 3.28Å; A405-H408 PolarHBondContact O-N 3.37Å; A405-H408 VanDerWaalsContact O-N 3.1Å; A405-D409 PolarHBondContact O-N 2.78Å
406	H	98.6	Very high	98	Very high	71 Å²	71	69.1 Å²	69.1	33%	0.329	34%	0.341	S	S	.	.	H	α-helix	trans	-64.3	-35.5	177.8	-173	-162.7	0	0	0	112.9	Q402 K403 H408 D409 I410 W497	Q402-H406 PolarHBondContact O-N 3.23Å; K403-H406 PolarHBondContact O-N 3.36Å; H406-H408 VanDerWaalsContact C-N 3.34Å; H406-D409 PolarHBondContact O-N 3.24Å; H406-I410 WeakPolarHBondContact O-CD1 3.35Å; H406-I410 VanDerWaalsContact O-CG1 3.31Å; H406-I410 WeakPolarHBondContact O-CG1 3.43Å; H406-I410 PolarHBondContact O-N 3.37Å; H406-W497 HydrophobicContact CB-CZ2 4.09Å; H406-W497 AromaticContact CE1-CH2 3.74Å; H406-W497 AromaticContact CG-CZ2 3.88Å; H406-W497 AromaticContact ND1-CH2 3.39Å; H406-W497 WeakPolarHBondContact ND1-CH2 3.37Å; H406-W497 AromaticContact ND1-CZ2 3.47Å; H406-W497 WeakPolarHBondContact ND1-CZ2 3.44Å
407	Y	98.6	Very high	97.9	Very high	14 Å²	14	70 Å²	70	6%	0.055	35%	0.347	C	S	.	.	H	α-helix	trans	-60.3	-44	171.2	179.6	-106.4	0	0	0	111.8	K403 R404 A405 D409 I410 Q411 N464 E492 F496	K403-Y407 WeakPolarHBondContact O-CB 3.48Å; K403-Y407 PolarHBondContact O-N 2.87Å; R404-Y407 PolarHBondContact O-N 3.34Å; A405-Y407 VanDerWaalsContact C-N 3.34Å; A405-Y407 PolarHBondContact O-N 2.71Å; Y407-D409 VanDerWaalsContact C-N 3.35Å; Y407-D409 PolarHBondContact O-N 2.83Å; Y407-I410 PolarHBondContact O-N 2.88Å; Y407-Q411 PolarHBondContact O-N 3.31Å; Y407-N464 HydrophobicContact CE2-CB 3.89Å; Y407-N464 WeakPolarHBondContact CE2-ND2 3.23Å; Y407-N464 PolarHBondContact OH-ND2 3.05Å; Y407-E492 HydrophobicContact CE1-CG 3.75Å; Y407-E492 WeakPolarHBondContact OH-CG 3.23Å; Y407-E492 PolarHBondContact OH-OE1 3.01Å; Y407-F496 HydrophobicContact CD2-CB 3.74Å; Y407-F496 AromaticContact CD2-CD1 3.55Å; Y407-F496 HydrophobicContact CD2-CD1 3.55Å; Y407-F496 AromaticContact CD2-CD2 3.78Å; Y407-F496 HydrophobicContact CD2-CD2 3.78Å; Y407-F496 HydrophobicContact CD2-CE1 4.09Å; Y407-F496 HydrophobicContact CD2-CE2 4.26Å; Y407-F496 AromaticContact CD2-CG 3.39Å; Y407-F496 HydrophobicContact CD2-CG 3.39Å; Y407-F496 HydrophobicContact CD2-CZ 4.42Å; Y407-F496 HydrophobicContact CE2-CB 3.61Å; Y407-F496 HydrophobicContact CE2-CD1 4.13Å; Y407-F496 AromaticContact CE2-CD2 3.51Å; Y407-F496 HydrophobicContact CE2-CD2 3.51Å; Y407-F496 HydrophobicContact CE2-CE2 4.19Å; Y407-F496 AromaticContact CE2-CG 3.47Å; Y407-F496 HydrophobicContact CE2-CG 3.47Å; Y407-F496 VanDerWaalsContact CE2-CG 3.47Å
408	H	98.4	Very high	97.9	Very high	92 Å²	92	68.7 Å²	68.7	43%	0.426	35%	0.345	S	S	.	.	H	α-helix	trans	-61.6	-40.7	173.9	-179.1	-95.1	0	0	0	112	R404 A405 H406 I410 Q411 Q412	R404-H408 PolarHBondContact O-N 3.48Å; A405-H408 WeakPolarHBondContact O-CA 3.32Å; A405-H408 WeakPolarHBondContact O-CB 3.28Å; A405-H408 PolarHBondContact O-N 3.37Å; A405-H408 VanDerWaalsContact O-N 3.1Å; H406-H408 VanDerWaalsContact C-N 3.34Å; H408-I410 VanDerWaalsContact C-N 3.34Å; H408-I410 PolarHBondContact O-N 3Å; H408-Q411 CarbonylContact O-C 3.59Å; H408-Q411 WeakPolarHBondContact O-CB 3.2Å; H408-Q411 PolarHBondContact O-N 3.26Å; H408-Q411 VanDerWaalsContact O-N 3.14Å; H408-Q412 VanDerWaalsContact CE1-CG 3.41Å; H408-Q412 WeakPolarHBondContact CE1-CG 3.19Å; H408-Q412 PolarHBondContact CE1-NE2 3.3Å; H408-Q412 VanDerWaalsContact CE1-NE2 3.34Å; H408-Q412 PolarHBondContact NE2-NE2 2.81Å; H408-Q412 WeakPolarHBondContact O-CG 3.36Å; H408-Q412 PolarHBondContact O-N 2.88Å
409	D	98.5	Very high	97.9	Very high	87 Å²	87	70.6 Å²	70.6	47%	0.465	35%	0.352	S	S	.	.	H	α-helix	trans	-67	-31.2	176.9	-63.1	-26.3	0	0	0	113.3	A405 H406 Y407 R413	A405-D409 PolarHBondContact O-N 2.78Å; H406-D409 PolarHBondContact O-N 3.24Å; Y407-D409 VanDerWaalsContact C-N 3.35Å; Y407-D409 PolarHBondContact O-N 2.83Å; D409-R413 WeakPolarHBondContact O-CB 3.48Å; D409-R413 WeakPolarHBondContact O-CG 3.39Å; D409-R413 PolarHBondContact O-N 2.67Å; D409-R413 VanDerWaalsContact O-N 3.17Å; D409-R413 PolarHBondContact O-NE 2.88Å
410	I	98.5	Very high	97.8	Very high	0 Å²	0	72 Å²	72	0%	0	36%	0.363	C	S	.	.	H	α-helix	trans	-66.4	-45.4	169.5	-65.7	157.5	0	0	0	109.8	H406 Y407 H408 R413 R414 N464 V467 F468 F496 W497	H406-I410 WeakPolarHBondContact O-CD1 3.35Å; H406-I410 VanDerWaalsContact O-CG1 3.31Å; H406-I410 WeakPolarHBondContact O-CG1 3.43Å; H406-I410 PolarHBondContact O-N 3.37Å; Y407-I410 PolarHBondContact O-N 2.88Å; H408-I410 VanDerWaalsContact C-N 3.34Å; H408-I410 PolarHBondContact O-N 3Å; I410-R413 VanDerWaalsContact CG1-NH2 3.27Å; I410-R413 PolarHBondContact O-N 3.36Å; I410-R414 PolarHBondContact O-N 3.47Å; I410-R414 VanDerWaalsContact O-N 3.09Å; I410-N464 HydrophobicContact CG2-CB 3.88Å; I410-N464 VanDerWaalsContact CG2-O 3.22Å; I410-N464 WeakPolarHBondContact CG2-O 3.26Å; I410-V467 HydrophobicContact CG2-CB 4.36Å; I410-V467 HydrophobicContact CG2-CG1 4.34Å; I410-F468 HydrophobicContact CD1-CB 4.2Å; I410-F468 HydrophobicContact CD1-CD2 3.67Å; I410-F468 HydrophobicContact CD1-CG 4.26Å; I410-F468 HydrophobicContact CG1-CD2 4.39Å; I410-F468 HydrophobicContact CG2-CB 4.37Å; I410-F496 HydrophobicContact CD1-CE1 3.95Å; I410-F496 HydrophobicContact CD1-CZ 3.81Å; I410-W497 HydrophobicContact CD1-CH2 4.25Å; I410-W497 HydrophobicContact CD1-CZ2 4.17Å
411	Q	98.2	Very high	97.7	Very high	37 Å²	37	74.3 Å²	74.3	17%	0.173	38%	0.376	C	S	.	.	H	α-helix	trans	-63.1	-44	177.9	179.6	150.1	-72.9	0	0	112.6	Y407 H408 R414 L415 N464	Y407-Q411 PolarHBondContact O-N 3.31Å; H408-Q411 CarbonylContact O-C 3.59Å; H408-Q411 WeakPolarHBondContact O-CB 3.2Å; H408-Q411 PolarHBondContact O-N 3.26Å; H408-Q411 VanDerWaalsContact O-N 3.14Å; Q411-R414 PolarHBondContact O-N 2.92Å; Q411-L415 HydrophobicContact CG-CD1 3.87Å; Q411-L415 HydrophobicContact CG-CG 4.37Å; Q411-L415 WeakPolarHBondContact O-CG 3.34Å; Q411-L415 PolarHBondContact O-N 3.27Å; Q411-N464 PolarHBondContact OE1-ND2 3.38Å
412	Q	98.2	Very high	97.6	Very high	85 Å²	85	73.5 Å²	73.5	40%	0.397	37%	0.37	S	S	.	.	H	α-helix	trans	-63.4	-42.6	177.7	-67.2	-58.2	-21.7	0	0	111.2	H408 R414 L415 S416	H408-Q412 VanDerWaalsContact CE1-CG 3.41Å; H408-Q412 WeakPolarHBondContact CE1-CG 3.19Å; H408-Q412 PolarHBondContact CE1-NE2 3.3Å; H408-Q412 VanDerWaalsContact CE1-NE2 3.34Å; H408-Q412 PolarHBondContact NE2-NE2 2.81Å; H408-Q412 WeakPolarHBondContact O-CG 3.36Å; H408-Q412 PolarHBondContact O-N 2.88Å; Q412-R414 VanDerWaalsContact C-N 3.28Å; Q412-R414 PolarHBondContact O-N 2.83Å; Q412-L415 CarbonylContact O-C 3.29Å; Q412-L415 PolarHBondContact O-N 3.37Å; Q412-L415 VanDerWaalsContact O-N 3.1Å; Q412-S416 WeakPolarHBondContact O-CB 3.4Å; Q412-S416 PolarHBondContact O-N 3.06Å; Q412-S416 PolarHBondContact O-OG 3.43Å
413	R	97.4	Very high	97.5	Very high	120 Å²	120	70.7 Å²	70.7	45%	0.453	36%	0.363	S	S	.	.	H	α-helix	trans	-57.9	-37.2	172.8	-78.1	-176.1	-70.2	151.2	-11.4	113.3	D409 I410 S416	D409-R413 WeakPolarHBondContact O-CB 3.48Å; D409-R413 WeakPolarHBondContact O-CG 3.39Å; D409-R413 PolarHBondContact O-N 2.67Å; D409-R413 VanDerWaalsContact O-N 3.17Å; D409-R413 PolarHBondContact O-NE 2.88Å; I410-R413 VanDerWaalsContact CG1-NH2 3.27Å; I410-R413 PolarHBondContact O-N 3.36Å; R413-S416 PolarHBondContact O-OG 3.5Å
414	R	97.5	Very high	97.4	Very high	24 Å²	24	73.4 Å²	73.4	9%	0.091	38%	0.376	C	S	.	.	H	α-helix	trans	-68.9	-39.1	174.4	-174.6	174.3	56.1	77.7	1.4	112.6	I410 Q411 Q412 M417 F425 N464 V467	I410-R414 PolarHBondContact O-N 3.47Å; I410-R414 VanDerWaalsContact O-N 3.09Å; Q411-R414 PolarHBondContact O-N 2.92Å; Q412-R414 VanDerWaalsContact C-N 3.28Å; Q412-R414 PolarHBondContact O-N 2.83Å; R414-M417 HydrophobicContact CG-SD 4.5Å; R414-M417 WeakPolarHBondContact O-CG 3.36Å; R414-F425 HydrophobicContact CG-CE1 4.34Å; R414-F425 HydrophobicContact CG-CZ 4.49Å; R414-N464 PolarHBondContact NE-OD1 3Å; R414-N464 PolarHBondContact NH2-OD1 2.82Å; R414-V467 HydrophobicContact CB-CG2 3.98Å; R414-V467 HydrophobicContact CG-CG2 3.96Å
415	L	96.7	Very high	97.3	Very high	106 Å²	106	69.8 Å²	69.8	56%	0.555	36%	0.363	S	S	*	.	H	α-helix	trans	-76.9	-22.2	-179.7	-66.2	173.4	0	0	0	112.8	Q411 Q412	Q411-L415 HydrophobicContact CG-CD1 3.87Å; Q411-L415 HydrophobicContact CG-CG 4.37Å; Q411-L415 WeakPolarHBondContact O-CG 3.34Å; Q411-L415 PolarHBondContact O-N 3.27Å; Q412-L415 CarbonylContact O-C 3.29Å; Q412-L415 PolarHBondContact O-N 3.37Å; Q412-L415 VanDerWaalsContact O-N 3.1Å
416	S	97.3	Very high	97.2	Very high	90 Å²	90	72.4 Å²	72.4	63%	0.629	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.6	12.8	178.1	75.5	0	0	0	0	114.6	Q412 R413	Q412-S416 WeakPolarHBondContact O-CB 3.4Å; Q412-S416 PolarHBondContact O-N 3.06Å; Q412-S416 PolarHBondContact O-OG 3.43Å; R413-S416 PolarHBondContact O-OG 3.5Å
417	M	96.8	Very high	96.9	Very high	47 Å²	47	76.4 Å²	76.4	23%	0.232	37%	0.374	C	S	.	.			trans	-60.9	146.7	175.4	-75.9	178.1	167.4	0	0	111.6	R414 E421 H422 F425 V467	R414-M417 HydrophobicContact CG-SD 4.5Å; R414-M417 WeakPolarHBondContact O-CG 3.36Å; M417-E421 WeakPolarHBondContact CA-OE2 3.47Å; M417-E421 HydrophobicContact CB-CB 4.07Å; M417-E421 HydrophobicContact CG-CB 4.38Å; M417-H422 HydrophobicContact CB-CB 4.28Å; M417-F425 HydrophobicContact CE-CB 4.44Å; M417-F425 HydrophobicContact CE-CD2 4.06Å; M417-F425 HydrophobicContact CE-CG 4.18Å; M417-F425 HydrophobicContact SD-CB 4.03Å; M417-F425 HydrophobicContact SD-CD1 4.33Å; M417-F425 HydrophobicContact SD-CG 4.04Å; M417-V467 HydrophobicContact CE-CG2 3.64Å
418	S	97.4	Very high	96.6	Very high	39 Å²	39	82.4 Å²	82.4	27%	0.273	40%	0.4	S	S	.	.			trans	-63.6	160.1	170.7	101.6	0	0	0	0	111.3	E420 E421 H422	S418-E420 WeakPolarHBondContact CB-OE2 3.39Å; S418-E420 PolarHBondContact O-N 2.98Å; S418-E420 PolarHBondContact OG-N 3.14Å; S418-E420 PolarHBondContact OG-OE2 3.01Å; S418-E421 PolarHBondContact N-OE2 3.4Å; S418-E421 PolarHBondContact O-N 3.44Å; S418-E421 PolarHBondContact OG-N 2.89Å; S418-E421 VanDerWaalsContact OG-N 3.14Å; S418-H422 VanDerWaalsContact O-CB 3.27Å; S418-H422 WeakPolarHBondContact O-CB 3.38Å; S418-H422 PolarHBondContact O-N 3.07Å
419	P	96.3	Very high	96.4	Very high	101 Å²	101	78.6 Å²	78.6	66%	0.656	38%	0.384	S	S	*	.	H	α-helix	trans	-55.7	-34.4	173.9	-25.7	35.5	0	0	0	113.4	C423	P419-C423 VanDerWaalsContact O-CB 3.22Å; P419-C423 WeakPolarHBondContact O-CB 3.42Å; P419-C423 PolarHBondContact O-N 3.13Å
420	E	96.1	Very high	96.3	Very high	132 Å²	132	75.5 Å²	75.5	62%	0.617	37%	0.366	S	S	*	.	H	α-helix	trans	-72.1	-49.5	177.7	-56.5	71	-153.3	0	0	111.3	S418 H422 C423 E424	S418-E420 WeakPolarHBondContact CB-OE2 3.39Å; S418-E420 PolarHBondContact O-N 2.98Å; S418-E420 PolarHBondContact OG-N 3.14Å; S418-E420 PolarHBondContact OG-OE2 3.01Å; E420-H422 VanDerWaalsContact C-N 3.34Å; E420-H422 PolarHBondContact O-N 3.07Å; E420-C423 PolarHBondContact O-N 2.84Å; E420-E424 PolarHBondContact O-N 2.91Å
421	E	95.7	Very high	96.2	Very high	113 Å²	113	79.9 Å²	79.9	53%	0.528	39%	0.386	S	S	.	.	H	α-helix	trans	-58.9	-45.8	175.7	-67.8	177.2	144.3	0	0	111	M417 S418 C423 E424 F425	M417-E421 WeakPolarHBondContact CA-OE2 3.47Å; M417-E421 HydrophobicContact CB-CB 4.07Å; M417-E421 HydrophobicContact CG-CB 4.38Å; S418-E421 PolarHBondContact N-OE2 3.4Å; S418-E421 PolarHBondContact O-N 3.44Å; S418-E421 PolarHBondContact OG-N 2.89Å; S418-E421 VanDerWaalsContact OG-N 3.14Å; E421-C423 VanDerWaalsContact C-N 3.35Å; E421-C423 PolarHBondContact O-N 2.96Å; E421-E424 PolarHBondContact O-N 3.22Å; E421-F425 WeakPolarHBondContact O-CB 3.39Å; E421-F425 PolarHBondContact O-N 3.15Å
422	H	95.8	Very high	96	Very high	80 Å²	80	80.4 Å²	80.4	37%	0.37	39%	0.392	S	S	.	.	H	α-helix	trans	-63.3	-39.3	177	-175	74.1	0	0	0	111.7	M417 S418 E420 E424 F425 W426 Q430	M417-H422 HydrophobicContact CB-CB 4.28Å; S418-H422 VanDerWaalsContact O-CB 3.27Å; S418-H422 WeakPolarHBondContact O-CB 3.38Å; S418-H422 PolarHBondContact O-N 3.07Å; E420-H422 VanDerWaalsContact C-N 3.34Å; E420-H422 PolarHBondContact O-N 3.07Å; H422-E424 VanDerWaalsContact C-N 3.33Å; H422-E424 PolarHBondContact O-N 2.9Å; H422-F425 PolarHBondContact O-N 3Å; H422-W426 WeakPolarHBondContact O-CB 3.36Å; H422-W426 PolarHBondContact O-N 3.25Å; H422-Q430 PolarHBondContact CE1-OE1 3.08Å
423	C	96.4	Very high	95.9	Very high	64 Å²	64	76.4 Å²	76.4	43%	0.432	37%	0.373	S	S	.	.	H	α-helix	trans	-65.9	-34	176.4	-173.4	0	0	0	0	112.6	P419 E420 E421 R427	P419-C423 VanDerWaalsContact O-CB 3.22Å; P419-C423 WeakPolarHBondContact O-CB 3.42Å; P419-C423 PolarHBondContact O-N 3.13Å; E420-C423 PolarHBondContact O-N 2.84Å; E421-C423 VanDerWaalsContact C-N 3.35Å; E421-C423 PolarHBondContact O-N 2.96Å; C423-R427 WeakPolarHBondContact O-CB 3.45Å; C423-R427 PolarHBondContact O-N 3.2Å; C423-R427 PolarHBondContact O-NH2 2.86Å; C423-R427 PolarHBondContact SG-NH2 2.97Å
424	E	95.4	Very high	95.8	Very high	91 Å²	91	72.8 Å²	72.8	43%	0.425	36%	0.362	S	S	.	.	H	α-helix	trans	-75.3	-45.4	173.2	-176.5	162.9	-165.4	0	0	112.4	E420 E421 H422 W426 R427 K428	E420-E424 PolarHBondContact O-N 2.91Å; E421-E424 PolarHBondContact O-N 3.22Å; H422-E424 VanDerWaalsContact C-N 3.33Å; H422-E424 PolarHBondContact O-N 2.9Å; E424-W426 VanDerWaalsContact C-N 3.31Å; E424-W426 PolarHBondContact O-N 2.82Å; E424-R427 PolarHBondContact O-N 3.33Å; E424-K428 HydrophobicContact CG-CD 4Å; E424-K428 HydrophobicContact CG-CG 4.41Å; E424-K428 PolarHBondContact O-N 2.9Å; E424-K428 WeakPolarHBondContact OE1-CE 3.23Å; E424-K428 IonicContact OE1-NZ 3.21Å; E424-K428 PolarHBondContact OE1-NZ 2.94Å
425	F	96.8	Very high	95.7	Very high	20 Å²	20	77.3 Å²	77.3	9%	0.088	38%	0.383	C	S	.	.	H	α-helix	trans	-59.5	-41.3	175.1	179.9	-98.7	0	0	0	111.7	R414 M417 E421 H422 R427 K428 V429 Q430 L463 A466 V467	R414-F425 HydrophobicContact CG-CE1 4.34Å; R414-F425 HydrophobicContact CG-CZ 4.49Å; M417-F425 HydrophobicContact CE-CB 4.44Å; M417-F425 HydrophobicContact CE-CD2 4.06Å; M417-F425 HydrophobicContact CE-CG 4.18Å; M417-F425 HydrophobicContact SD-CB 4.03Å; M417-F425 HydrophobicContact SD-CD1 4.33Å; M417-F425 HydrophobicContact SD-CG 4.04Å; E421-F425 WeakPolarHBondContact O-CB 3.39Å; E421-F425 PolarHBondContact O-N 3.15Å; H422-F425 PolarHBondContact O-N 3Å; F425-R427 VanDerWaalsContact C-N 3.35Å; F425-R427 PolarHBondContact O-N 3.14Å; F425-K428 PolarHBondContact O-N 2.89Å; F425-V429 HydrophobicContact CD2-CB 4.14Å; F425-V429 HydrophobicContact CD2-CG2 4.15Å; F425-V429 HydrophobicContact CE1-CG1 4.44Å; F425-V429 HydrophobicContact CE2-CB 3.89Å; F425-V429 HydrophobicContact CE2-CG1 3.87Å; F425-V429 HydrophobicContact CE2-CG2 4.02Å; F425-V429 HydrophobicContact CZ-CB 4.12Å; F425-V429 HydrophobicContact CZ-CG1 3.77Å; F425-V429 WeakPolarHBondContact O-CA 3.26Å; F425-V429 WeakPolarHBondContact O-CB 3.27Å; F425-V429 PolarHBondContact O-N 2.92Å; F425-Q430 HydrophobicContact CD1-CB 4.38Å; F425-Q430 HydrophobicContact CE1-CB 4.26Å; F425-Q430 PolarHBondContact O-N 3.2Å; F425-Q430 VanDerWaalsContact O-N 3.09Å; F425-L463 HydrophobicContact CE1-CD2 4.02Å; F425-L463 HydrophobicContact CZ-CB 4.29Å; F425-L463 HydrophobicContact CZ-CD2 4.05Å; F425-A466 HydrophobicContact CE2-CB 4Å; F425-A466 HydrophobicContact CZ-CB 4.39Å; F425-V467 HydrophobicContact CD2-CG2 4.28Å; F425-V467 HydrophobicContact CE2-CG2 3.58Å; F425-V467 HydrophobicContact CZ-CG2 3.92Å
426	W	96	Very high	95.6	Very high	108 Å²	108	72.5 Å²	72.5	41%	0.409	36%	0.358	S	S	.	.	I	π-helix	trans	-60	-45.5	175.7	-175.2	91.4	0	0	0	111.8	H422 E424 Q430 F431	H422-W426 WeakPolarHBondContact O-CB 3.36Å; H422-W426 PolarHBondContact O-N 3.25Å; E424-W426 VanDerWaalsContact C-N 3.31Å; E424-W426 PolarHBondContact O-N 2.82Å; W426-Q430 HydrophobicContact CB-CB 4.38Å; W426-Q430 HydrophobicContact CG-CB 4.33Å; W426-Q430 PolarHBondContact O-N 2.96Å; W426-F431 HydrophobicContact CD2-CB 4.29Å; W426-F431 HydrophobicContact CE3-CB 4.36Å; W426-F431 HydrophobicContact CH2-CB 4.13Å; W426-F431 AromaticContact CH2-CD2 3.55Å; W426-F431 HydrophobicContact CH2-CD2 3.55Å; W426-F431 HydrophobicContact CH2-CE2 4.21Å; W426-F431 HydrophobicContact CH2-CG 4.03Å; W426-F431 HydrophobicContact CZ2-CB 4.06Å; W426-F431 AromaticContact CZ2-CD2 3.59Å; W426-F431 HydrophobicContact CZ2-CD2 3.59Å; W426-F431 HydrophobicContact CZ2-CE2 4.46Å; W426-F431 HydrophobicContact CZ2-CG 4.2Å; W426-F431 HydrophobicContact CZ3-CB 4.28Å; W426-F431 HydrophobicContact CZ3-CD2 4.38Å; W426-F431 HydrophobicContact CZ3-CG 4.44Å; W426-F431 WeakPolarHBondContact O-CB 3.29Å; W426-F431 PolarHBondContact O-N 3.2Å
427	R	93.6	Very high	95.5	Very high	155 Å²	155	68.4 Å²	68.4	59%	0.585	33%	0.329	S	S	*	.	I	π-helix	trans	-71.5	-33.5	-177.6	-164.8	-171.5	-49.8	122.3	12.2	113.4	C423 E424 F425	C423-R427 WeakPolarHBondContact O-CB 3.45Å; C423-R427 PolarHBondContact O-N 3.2Å; C423-R427 PolarHBondContact O-NH2 2.86Å; C423-R427 PolarHBondContact SG-NH2 2.97Å; E424-R427 PolarHBondContact O-N 3.33Å; F425-R427 VanDerWaalsContact C-N 3.35Å; F425-R427 PolarHBondContact O-N 3.14Å
428	K	91.6	Very high	95.2	Very high	139 Å²	139	70.4 Å²	70.4	60%	0.604	34%	0.344	S	S	*	.	I	π-helix	trans	-86.4	-39.6	179.7	-73.6	-177.7	177.3	171.6	0	113.3	E424 F425	E424-K428 HydrophobicContact CG-CD 4Å; E424-K428 HydrophobicContact CG-CG 4.41Å; E424-K428 PolarHBondContact O-N 2.9Å; E424-K428 WeakPolarHBondContact OE1-CE 3.23Å; E424-K428 IonicContact OE1-NZ 3.21Å; E424-K428 PolarHBondContact OE1-NZ 2.94Å; F425-K428 PolarHBondContact O-N 2.89Å
429	V	95.3	Very high	95	Very high	12 Å²	12	73.4 Å²	73.4	7%	0.073	35%	0.349	C	S	.	.	I	π-helix	trans	-122	-63.8	-167	176.6	0	0	0	0	111	F425 F431 T432 V433 L463 A466	F425-V429 HydrophobicContact CD2-CB 4.14Å; F425-V429 HydrophobicContact CD2-CG2 4.15Å; F425-V429 HydrophobicContact CE1-CG1 4.44Å; F425-V429 HydrophobicContact CE2-CB 3.89Å; F425-V429 HydrophobicContact CE2-CG1 3.87Å; F425-V429 HydrophobicContact CE2-CG2 4.02Å; F425-V429 HydrophobicContact CZ-CB 4.12Å; F425-V429 HydrophobicContact CZ-CG1 3.77Å; F425-V429 WeakPolarHBondContact O-CA 3.26Å; F425-V429 WeakPolarHBondContact O-CB 3.27Å; F425-V429 PolarHBondContact O-N 2.92Å; V429-F431 PolarHBondContact O-N 2.75Å; V429-T432 PolarHBondContact O-N 3.1Å; V429-V433 HydrophobicContact CG1-CG2 4.05Å; V429-V433 PolarHBondContact O-N 3.02Å; V429-V433 VanDerWaalsContact O-N 3.1Å; V429-L463 HydrophobicContact CG1-CD2 4Å; V429-A466 HydrophobicContact CB-CB 4.38Å; V429-A466 HydrophobicContact CG1-CB 3.49Å; V429-A466 VanDerWaalsContact CG1-CB 3.49Å; V429-A466 HydrophobicContact CG2-CB 4Å
430	Q	96.4	Very high	94.8	Very high	22 Å²	22	68.6 Å²	68.6	10%	0.103	32%	0.318	C	S	.	.	I	π-helix	trans	-61.8	-43.3	-161.7	-154.4	-162	-78.6	0	0	112.6	H422 F425 W426 T432 V433 D434 R459 L463	H422-Q430 PolarHBondContact CE1-OE1 3.08Å; F425-Q430 HydrophobicContact CD1-CB 4.38Å; F425-Q430 HydrophobicContact CE1-CB 4.26Å; F425-Q430 PolarHBondContact O-N 3.2Å; F425-Q430 VanDerWaalsContact O-N 3.09Å; W426-Q430 HydrophobicContact CB-CB 4.38Å; W426-Q430 HydrophobicContact CG-CB 4.33Å; W426-Q430 PolarHBondContact O-N 2.96Å; Q430-T432 PolarHBondContact O-N 2.95Å; Q430-V433 PolarHBondContact O-N 2.91Å; Q430-D434 PolarHBondContact NE2-OD2 3.45Å; Q430-D434 VanDerWaalsContact O-CB 3.28Å; Q430-D434 WeakPolarHBondContact O-CB 3.19Å; Q430-D434 PolarHBondContact O-N 3.12Å; Q430-R459 VanDerWaalsContact NE2-NH2 3.11Å; Q430-L463 HydrophobicContact CB-CD2 4.02Å; Q430-L463 HydrophobicContact CG-CD1 3.81Å; Q430-L463 HydrophobicContact CG-CD2 3.6Å; Q430-L463 HydrophobicContact CG-CG 4.37Å
431	F	94.9	Very high	94.3	Very high	93 Å²	93	63.3 Å²	63.3	41%	0.408	29%	0.293	S	S	.	.	H	α-helix	trans	-58.4	-32.2	178	177.8	-106.5	0	0	0	113.5	W426 V429 K435	W426-F431 HydrophobicContact CD2-CB 4.29Å; W426-F431 HydrophobicContact CE3-CB 4.36Å; W426-F431 HydrophobicContact CH2-CB 4.13Å; W426-F431 AromaticContact CH2-CD2 3.55Å; W426-F431 HydrophobicContact CH2-CD2 3.55Å; W426-F431 HydrophobicContact CH2-CE2 4.21Å; W426-F431 HydrophobicContact CH2-CG 4.03Å; W426-F431 HydrophobicContact CZ2-CB 4.06Å; W426-F431 AromaticContact CZ2-CD2 3.59Å; W426-F431 HydrophobicContact CZ2-CD2 3.59Å; W426-F431 HydrophobicContact CZ2-CE2 4.46Å; W426-F431 HydrophobicContact CZ2-CG 4.2Å; W426-F431 HydrophobicContact CZ3-CB 4.28Å; W426-F431 HydrophobicContact CZ3-CD2 4.38Å; W426-F431 HydrophobicContact CZ3-CG 4.44Å; W426-F431 WeakPolarHBondContact O-CB 3.29Å; W426-F431 PolarHBondContact O-N 3.2Å; V429-F431 PolarHBondContact O-N 2.75Å; F431-K435 HydrophobicContact CD1-CD 4.28Å; F431-K435 HydrophobicContact CE1-CD 3.81Å; F431-K435 HydrophobicContact CE2-CD 4.09Å; F431-K435 HydrophobicContact CZ-CD 3.71Å; F431-K435 WeakPolarHBondContact O-CD 3.45Å; F431-K435 VanDerWaalsContact O-CG 3.3Å; F431-K435 WeakPolarHBondContact O-CG 3.46Å; F431-K435 PolarHBondContact O-N 3.06Å
432	T	94.5	Very high	94.1	Very high	48 Å²	48	61.8 Å²	61.8	29%	0.294	28%	0.283	S	S	.	.	H	α-helix	trans	-78.6	-42.7	177.5	-45.8	0	0	0	0	110.9	V429 Q430 K435 D436 Y474	V429-T432 PolarHBondContact O-N 3.1Å; Q430-T432 PolarHBondContact O-N 2.95Å; T432-K435 PolarHBondContact O-N 3.5Å; T432-D436 WeakPolarHBondContact O-CB 3.48Å; T432-D436 PolarHBondContact O-N 2.85Å; T432-D436 VanDerWaalsContact O-N 3.11Å; T432-Y474 HydrophobicContact CG2-CD1 4.02Å; T432-Y474 HydrophobicContact CG2-CE1 3.83Å
433	V	96.9	Very high	93.6	Very high	0 Å²	0	63.1 Å²	63.1	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-61.8	-48.6	175.4	177.3	0	0	0	0	111	V429 Q430 K435 D436 V437 R459 L462 L463 Y474	V429-V433 HydrophobicContact CG1-CG2 4.05Å; V429-V433 PolarHBondContact O-N 3.02Å; V429-V433 VanDerWaalsContact O-N 3.1Å; Q430-V433 PolarHBondContact O-N 2.91Å; V433-K435 PolarHBondContact O-N 3.49Å; V433-D436 PolarHBondContact O-N 2.83Å; V433-V437 HydrophobicContact CG1-CG1 3.98Å; V433-V437 WeakPolarHBondContact O-CG2 3.34Å; V433-V437 PolarHBondContact O-N 2.73Å; V433-R459 HydrophobicContact CG1-CG 4.1Å; V433-L462 HydrophobicContact CG1-CB 3.85Å; V433-L462 HydrophobicContact CG1-CD1 4.05Å; V433-L462 HydrophobicContact CG2-CB 4.33Å; V433-L463 HydrophobicContact CB-CD2 3.86Å; V433-L463 HydrophobicContact CG1-CD2 3.98Å; V433-L463 HydrophobicContact CG1-CG 4.17Å; V433-L463 HydrophobicContact CG2-CD2 3.9Å; V433-Y474 HydrophobicContact CG2-CD1 3.7Å; V433-Y474 HydrophobicContact CG2-CD2 3.57Å; V433-Y474 HydrophobicContact CG2-CE1 4.08Å; V433-Y474 HydrophobicContact CG2-CE2 3.95Å; V433-Y474 HydrophobicContact CG2-CG 3.44Å; V433-Y474 VanDerWaalsContact CG2-CG 3.44Å
434	D	95.4	Very high	93.1	Very high	44 Å²	44	62.2 Å²	62.2	24%	0.235	29%	0.292	C	S	.	.	H	α-helix	trans	-56.5	-33.3	179.2	-68.2	-13.5	0	0	0	111.6	Q430 V438 R459	Q430-D434 PolarHBondContact NE2-OD2 3.45Å; Q430-D434 VanDerWaalsContact O-CB 3.28Å; Q430-D434 WeakPolarHBondContact O-CB 3.19Å; Q430-D434 PolarHBondContact O-N 3.12Å; D434-V438 WeakPolarHBondContact O-CG2 3.46Å; D434-R459 IonicContact OD1-CZ 2.67Å; D434-R459 VanDerWaalsContact OD1-CZ 3.23Å; D434-R459 IonicContact OD1-NE 3.1Å; D434-R459 PolarHBondContact OD1-NE 3.26Å; D434-R459 IonicContact OD1-NH2 3.67Å; D434-R459 PolarHBondContact OD1-NH2 2.87Å; D434-R459 IonicContact OD2-NH2 2.78Å; D434-R459 PolarHBondContact OD2-NH2 3.13Å
435	K	93.8	Very high	92.8	Very high	119 Å²	119	66 Å²	66	52%	0.517	31%	0.31	S	S	.	.	H	α-helix	trans	-81.5	-23	175.4	-76.3	175.7	61.8	-174	0	114.9	F431 T432 V433 V438 R439	F431-K435 HydrophobicContact CD1-CD 4.28Å; F431-K435 HydrophobicContact CE1-CD 3.81Å; F431-K435 HydrophobicContact CE2-CD 4.09Å; F431-K435 HydrophobicContact CZ-CD 3.71Å; F431-K435 WeakPolarHBondContact O-CD 3.45Å; F431-K435 VanDerWaalsContact O-CG 3.3Å; F431-K435 WeakPolarHBondContact O-CG 3.46Å; F431-K435 PolarHBondContact O-N 3.06Å; T432-K435 PolarHBondContact O-N 3.5Å; V433-K435 PolarHBondContact O-N 3.49Å; K435-V438 WeakPolarHBondContact O-CG2 3.21Å; K435-R439 WeakPolarHBondContact O-CG 3.19Å
436	D	94.3	Very high	92.6	Very high	6 Å²	6	66.9 Å²	66.9	3%	0.032	31%	0.313	C	S	.	.	H	α-helix	trans	-91	-42.9	-175.5	-84.7	0	0	0	0	112.3	T432 V433 V438 R439 T440 Y474	T432-D436 WeakPolarHBondContact O-CB 3.48Å; T432-D436 PolarHBondContact O-N 2.85Å; T432-D436 VanDerWaalsContact O-N 3.11Å; V433-D436 PolarHBondContact O-N 2.83Å; D436-V438 VanDerWaalsContact C-N 3.28Å; D436-V438 PolarHBondContact O-N 2.91Å; D436-R439 WeakPolarHBondContact O-CG 3.32Å; D436-R439 PolarHBondContact O-N 2.75Å; D436-R439 VanDerWaalsContact O-N 3.11Å; D436-R439 IonicContact OD1-CZ 2.85Å; D436-R439 IonicContact OD1-NE 2.78Å; D436-R439 PolarHBondContact OD1-NE 3.36Å; D436-R439 IonicContact OD1-NH2 2.62Å; D436-R439 PolarHBondContact OD1-NH2 3.08Å; D436-R439 IonicContact OD2-NH2 3.72Å; D436-R439 PolarHBondContact OD2-NH2 2.85Å; D436-T440 PolarHBondContact O-N 3.27Å; D436-T440 PolarHBondContact O-OG1 2.8Å; D436-Y474 WeakPolarHBondContact CB-OH 3.32Å; D436-Y474 WeakPolarHBondContact OD2-CE1 3.43Å; D436-Y474 PolarHBondContact OD2-OH 3.1Å
437	V	95.2	Very high	92.4	Very high	3 Å²	3	61.8 Å²	61.8	2%	0.018	29%	0.294	C	S	.	.	H	α-helix	trans	-63.5	-32.7	-179.5	-59.7	0	0	0	0	112.8	V433 R439 V455 M458 R459 L462	V433-V437 HydrophobicContact CG1-CG1 3.98Å; V433-V437 WeakPolarHBondContact O-CG2 3.34Å; V433-V437 PolarHBondContact O-N 2.73Å; V437-R439 PolarHBondContact O-N 2.81Å; V437-V455 HydrophobicContact CB-CG1 3.89Å; V437-V455 HydrophobicContact CG2-CG1 3.85Å; V437-M458 HydrophobicContact CB-SD 4.22Å; V437-M458 HydrophobicContact CG1-CG 4.28Å; V437-M458 HydrophobicContact CG1-SD 3.86Å; V437-R459 HydrophobicContact CG1-CB 4.17Å; V437-R459 HydrophobicContact CG2-CB 4.21Å; V437-R459 HydrophobicContact CG2-CG 4.32Å; V437-L462 HydrophobicContact CG1-CD1 3.8Å
438	V	91.9	Very high	92.3	Very high	90 Å²	90	60.6 Å²	60.6	55%	0.545	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.2	-12.2	178.3	-61.9	0	0	0	0	114	D434 K435 D436 R442	D434-V438 WeakPolarHBondContact O-CG2 3.46Å; K435-V438 WeakPolarHBondContact O-CG2 3.21Å; D436-V438 VanDerWaalsContact C-N 3.28Å; D436-V438 PolarHBondContact O-N 2.91Å; V438-R442 VanDerWaalsContact O-CD 3.23Å; V438-R442 WeakPolarHBondContact O-CD 3.33Å; V438-R442 PolarHBondContact O-NE 2.82Å
439	R	91.8	Very high	92	Very high	102 Å²	102	55.7 Å²	55.7	39%	0.385	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-117.3	-15.7	-179.1	64.3	174	-169.1	76	2.2	114.5	K435 D436 V437	K435-R439 WeakPolarHBondContact O-CG 3.19Å; D436-R439 WeakPolarHBondContact O-CG 3.32Å; D436-R439 PolarHBondContact O-N 2.75Å; D436-R439 VanDerWaalsContact O-N 3.11Å; D436-R439 IonicContact OD1-CZ 2.85Å; D436-R439 IonicContact OD1-NE 2.78Å; D436-R439 PolarHBondContact OD1-NE 3.36Å; D436-R439 IonicContact OD1-NH2 2.62Å; D436-R439 PolarHBondContact OD1-NH2 3.08Å; D436-R439 IonicContact OD2-NH2 3.72Å; D436-R439 PolarHBondContact OD2-NH2 2.85Å; V437-R439 PolarHBondContact O-N 2.81Å
440	T	92.5	Very high	91.6	Very high	0 Å²	0	63.8 Å²	63.8	0%	0	32%	0.315	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.6	133.8	177	-75.1	0	0	0	0	111	D436 R442 M458 S479 D480 A483	D436-T440 PolarHBondContact O-N 3.27Å; D436-T440 PolarHBondContact O-OG1 2.8Å; T440-R442 VanDerWaalsContact O-CD 3.31Å; T440-R442 WeakPolarHBondContact O-CD 3.46Å; T440-R442 PolarHBondContact O-N 2.88Å; T440-M458 HydrophobicContact CG2-CE 4.11Å; T440-M458 HydrophobicContact CG2-SD 4.4Å; T440-S479 WeakPolarHBondContact OG1-CB 3.44Å; T440-S479 PolarHBondContact OG1-OG 3.03Å; T440-D480 WeakPolarHBondContact CG2-OD1 3.4Å; T440-D480 PolarHBondContact OG1-OD1 3.08Å; T440-A483 HydrophobicContact CG2-CB 3.65Å
441	D	87	Confident	91.1	Very high	20 Å²	20	70.6 Å²	70.6	11%	0.107	35%	0.353	C	S	.	.	T	Hydrogen-bonded Turn	trans	40.7	38.5	168.4	-61.8	-1	0	0	0	117.2	S443 N444 F447 K561	D441-S443 PolarHBondContact O-N 2.82Å; D441-N444 HydrophobicContact CB-CB 4.31Å; D441-N444 VanDerWaalsContact O-CB 3.28Å; D441-N444 WeakPolarHBondContact O-CB 3.42Å; D441-N444 PolarHBondContact O-N 2.82Å; D441-F447 HydrophobicContact CB-CD2 4.22Å; D441-K561 IonicContact OD1-NZ 2.73Å; D441-K561 IonicContact OD2-NZ 2.99Å; D441-K561 PolarHBondContact OD2-NZ 2.9Å
442	R	89.8	Confident	91	Very high	81 Å²	81	67.3 Å²	67.3	31%	0.306	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-16.4	-178.5	-52.8	-59.9	-68.2	145.8	11.5	114.6	V438 T440 F447 G449 V455	V438-R442 VanDerWaalsContact O-CD 3.23Å; V438-R442 WeakPolarHBondContact O-CD 3.33Å; V438-R442 PolarHBondContact O-NE 2.82Å; T440-R442 VanDerWaalsContact O-CD 3.31Å; T440-R442 WeakPolarHBondContact O-CD 3.46Å; T440-R442 PolarHBondContact O-N 2.88Å; R442-F447 PolarHBondContact NH1-O 3.12Å; R442-G449 PolarHBondContact NH2-O 3.18Å; R442-V455 VanDerWaalsContact NH1-CG2 3.33Å
443	S	85.6	Confident	91	Very high	108 Å²	108	69.2 Å²	69.2	76%	0.755	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.1	-23	172.5	51	0	0	0	0	113.5	D441	D441-S443 PolarHBondContact O-N 2.82Å
444	N	86.5	Confident	91	Very high	46 Å²	46	70.9 Å²	70.9	25%	0.246	36%	0.361	C	S	.	.	S	Bend	trans	-70.7	129.8	174.1	-179.1	-14.2	0	0	0	109.5	D441 F446 F447 R448	D441-N444 HydrophobicContact CB-CB 4.31Å; D441-N444 VanDerWaalsContact O-CB 3.28Å; D441-N444 WeakPolarHBondContact O-CB 3.42Å; D441-N444 PolarHBondContact O-N 2.82Å; N444-F446 PolarHBondContact O-N 3.35Å; N444-F446 VanDerWaalsContact O-N 3.12Å; N444-F446 WeakPolarHBondContact OD1-CB 3.44Å; N444-F446 PolarHBondContact OD1-N 3.32Å; N444-F447 HydrophobicContact CB-CD2 4.45Å; N444-F447 PolarHBondContact O-N 2.95Å; N444-F447 VanDerWaalsContact O-N 3.11Å; N444-R448 WeakPolarHBondContact O-CB 3.39Å; N444-R448 PolarHBondContact O-N 2.77Å
445	H	88.9	Confident	91	Very high	171 Å²	171	69.7 Å²	69.7	79%	0.792	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.1	-34.7	178.4	-173.2	-85.5	0	0	0	113	F447	H445-F447 VanDerWaalsContact C-N 3.33Å; H445-F447 PolarHBondContact O-N 3.29Å
446	F	91.6	Very high	91.2	Very high	37 Å²	37	67.7 Å²	67.7	16%	0.162	35%	0.348	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-33.5	-178.8	-171.2	-93.5	0	0	0	113.4	N444 N452 N454 L486 T487 Q490	N444-F446 PolarHBondContact O-N 3.35Å; N444-F446 VanDerWaalsContact O-N 3.12Å; N444-F446 WeakPolarHBondContact OD1-CB 3.44Å; N444-F446 PolarHBondContact OD1-N 3.32Å; F446-N452 PolarHBondContact O-ND2 2.91Å; F446-N454 HydrophobicContact CD1-CB 3.96Å; F446-N454 HydrophobicContact CE1-CB 3.57Å; F446-N454 HydrophobicContact CZ-CB 4.14Å; F446-N454 PolarHBondContact O-ND2 3.28Å; F446-L486 HydrophobicContact CE1-CD2 4.28Å; F446-L486 HydrophobicContact CE1-CG 3.9Å; F446-L486 HydrophobicContact CZ-CG 4.19Å; F446-L486 WeakPolarHBondContact CZ-O 3.23Å; F446-T487 HydrophobicContact CB-CG2 4.13Å; F446-T487 HydrophobicContact CD2-CG2 4.33Å; F446-T487 HydrophobicContact CG-CG2 4.11Å; F446-Q490 HydrophobicContact CE2-CG 4.15Å; F446-Q490 HydrophobicContact CZ-CG 4.45Å
447	F	93.4	Very high	91.3	Very high	1 Å²	1	68.9 Å²	68.9	0%	0.004	35%	0.354	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.3	-17.7	179.6	-62.6	-65.4	0	0	0	114.1	D441 R442 N444 H445 N452 N454 V455 M458 A483 L486	D441-F447 HydrophobicContact CB-CD2 4.22Å; R442-F447 PolarHBondContact NH1-O 3.12Å; N444-F447 HydrophobicContact CB-CD2 4.45Å; N444-F447 PolarHBondContact O-N 2.95Å; N444-F447 VanDerWaalsContact O-N 3.11Å; H445-F447 VanDerWaalsContact C-N 3.33Å; H445-F447 PolarHBondContact O-N 3.29Å; F447-N452 WeakPolarHBondContact O-CB 3.34Å; F447-N452 PolarHBondContact O-ND2 3.3Å; F447-N454 HydrophobicContact CD1-CB 3.96Å; F447-N454 HydrophobicContact CE1-CB 3.97Å; F447-V455 HydrophobicContact CD1-CG2 4.41Å; F447-M458 HydrophobicContact CD1-CE 3.71Å; F447-M458 HydrophobicContact CD2-CE 4.38Å; F447-M458 HydrophobicContact CE1-CE 3.26Å; F447-M458 HydrophobicContact CE2-CE 4Å; F447-M458 HydrophobicContact CG-CE 4.25Å; F447-M458 HydrophobicContact CZ-CE 3.43Å; F447-M458 VanDerWaalsContact CZ-CE 3.43Å; F447-A483 HydrophobicContact CE2-CB 3.74Å; F447-A483 HydrophobicContact CZ-CB 3.95Å; F447-A483 WeakPolarHBondContact CZ-O 3.25Å; F447-L486 HydrophobicContact CE1-CD2 4.1Å; F447-L486 HydrophobicContact CZ-CD2 4.35Å
448	R	90.1	Very high	91.5	Very high	130 Å²	130	68.8 Å²	68.8	49%	0.491	35%	0.353	S	S	.	.			trans	-56.4	149	-175.9	-174.9	174	-178.4	149	9.6	113.2	N444 N452	N444-R448 WeakPolarHBondContact O-CB 3.39Å; N444-R448 PolarHBondContact O-N 2.77Å; R448-N452 PolarHBondContact O-ND2 3.1Å
449	G	86.8	Confident	91.8	Very high	36 Å²	36	66.9 Å²	66.9	37%	0.371	34%	0.336	S	S	.	.	S	Bend	trans	102.7	152.4	175.9	0	0	0	0	0	113.3	R442	R442-G449 PolarHBondContact NH2-O 3.18Å
450	E	85.8	Confident	92.1	Very high	182 Å²	182	65.1 Å²	65.1	85%	0.85	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.4	145.9	172.2	-64.4	-177.1	178.4	0	0	110.1	N452	E450-N452 PolarHBondContact O-N 3.38Å
451	N	86.4	Confident	92.4	Very high	166 Å²	166	65.1 Å²	65.1	89%	0.888	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.9	26.5	-179.7	-54	-38.7	0	0	0	115.1
452	N	92.7	Very high	92.9	Very high	24 Å²	24	64.2 Å²	64.2	13%	0.128	33%	0.325	C	S	.	.			trans	-61.3	125.3	178.6	175.7	-50	0	0	0	110.7	F446 F447 R448 E450 N454 V455	F446-N452 PolarHBondContact O-ND2 2.91Å; F447-N452 WeakPolarHBondContact O-CB 3.34Å; F447-N452 PolarHBondContact O-ND2 3.3Å; R448-N452 PolarHBondContact O-ND2 3.1Å; E450-N452 PolarHBondContact O-N 3.38Å; N452-N454 VanDerWaalsContact C-N 3.28Å; N452-N454 PolarHBondContact O-N 3.4Å; N452-N454 WeakPolarHBondContact OD1-CA 3.45Å; N452-N454 VanDerWaalsContact OD1-CB 3.25Å; N452-N454 WeakPolarHBondContact OD1-CB 3.46Å; N452-N454 PolarHBondContact OD1-N 2.94Å; N452-V455 HydrophobicContact CB-CG2 4.08Å; N452-V455 WeakPolarHBondContact O-CB 3.47Å; N452-V455 PolarHBondContact O-N 3.07Å
453	P	94.9	Very high	93.3	Very high	87 Å²	87	60.3 Å²	60.3	57%	0.565	31%	0.31	S	S	*	.	H	α-helix	trans	-67.2	-25.5	-172.7	27.5	-35.8	0	0	0	113.7	V455 E456 I457	P453-V455 PolarHBondContact O-N 3.02Å; P453-E456 PolarHBondContact O-N 3.07Å; P453-E456 VanDerWaalsContact O-N 3.11Å; P453-I457 WeakPolarHBondContact O-CG1 3.49Å; P453-I457 PolarHBondContact O-N 3.3Å
454	N	96.5	Very high	93.9	Very high	36 Å²	36	55.2 Å²	55.2	19%	0.193	27%	0.274	C	S	.	.	H	α-helix	trans	-69.3	-23	178.9	-58.6	-25.5	0	0	0	112	F446 F447 N452 M458	F446-N454 HydrophobicContact CD1-CB 3.96Å; F446-N454 HydrophobicContact CE1-CB 3.57Å; F446-N454 HydrophobicContact CZ-CB 4.14Å; F446-N454 PolarHBondContact O-ND2 3.28Å; F447-N454 HydrophobicContact CD1-CB 3.96Å; F447-N454 HydrophobicContact CE1-CB 3.97Å; N452-N454 VanDerWaalsContact C-N 3.28Å; N452-N454 PolarHBondContact O-N 3.4Å; N452-N454 WeakPolarHBondContact OD1-CA 3.45Å; N452-N454 VanDerWaalsContact OD1-CB 3.25Å; N452-N454 WeakPolarHBondContact OD1-CB 3.46Å; N452-N454 PolarHBondContact OD1-N 2.94Å; N454-M458 WeakPolarHBondContact O-CB 3.46Å; N454-M458 PolarHBondContact O-N 2.86Å
455	V	96.4	Very high	94.5	Very high	19 Å²	19	53 Å²	53	12%	0.115	26%	0.263	C	S	.	.	H	α-helix	trans	-68.2	-41.8	170.8	-174.8	0	0	0	0	110.4	V437 R442 F447 N452 P453 M458 R459	V437-V455 HydrophobicContact CB-CG1 3.89Å; V437-V455 HydrophobicContact CG2-CG1 3.85Å; R442-V455 VanDerWaalsContact NH1-CG2 3.33Å; F447-V455 HydrophobicContact CD1-CG2 4.41Å; N452-V455 HydrophobicContact CB-CG2 4.08Å; N452-V455 WeakPolarHBondContact O-CB 3.47Å; N452-V455 PolarHBondContact O-N 3.07Å; P453-V455 PolarHBondContact O-N 3.02Å; V455-M458 PolarHBondContact O-N 2.79Å; V455-R459 VanDerWaalsContact O-CB 3.27Å; V455-R459 WeakPolarHBondContact O-CB 3.45Å; V455-R459 PolarHBondContact O-N 2.97Å
456	E	96.3	Very high	94.8	Very high	76 Å²	76	45.1 Å²	45.1	36%	0.355	23%	0.227	S	C	.	.	H	α-helix	trans	-72.6	-32	176.1	-171.8	60.4	-145.7	0	0	111.8	P453 R459 R460	P453-E456 PolarHBondContact O-N 3.07Å; P453-E456 VanDerWaalsContact O-N 3.11Å; E456-R459 WeakPolarHBondContact O-CB 3.2Å; E456-R459 PolarHBondContact O-N 2.75Å; E456-R459 IonicContact OE1-CZ 3.49Å; E456-R459 IonicContact OE1-NH1 2.85Å; E456-R459 PolarHBondContact OE1-NH1 2.9Å; E456-R459 WeakPolarHBondContact OE2-CD 3.48Å; E456-R459 IonicContact OE2-NE 2.7Å; E456-R459 IonicContact OE2-NH1 3.23Å; E456-R460 WeakPolarHBondContact O-CG 3.46Å; E456-R460 PolarHBondContact O-N 2.95Å
457	I	98.1	Very high	95.1	Very high	31 Å²	31	44.4 Å²	44.4	16%	0.159	23%	0.226	C	C	.	.	H	α-helix	trans	-62.1	-51.8	169.6	-65.5	165	0	0	0	110.2	P453 R459 R460 I461 L486 E492	P453-I457 WeakPolarHBondContact O-CG1 3.49Å; P453-I457 PolarHBondContact O-N 3.3Å; I457-R459 VanDerWaalsContact C-N 3.25Å; I457-R459 PolarHBondContact O-N 3.2Å; I457-R460 PolarHBondContact O-N 3.21Å; I457-R460 VanDerWaalsContact O-N 3.15Å; I457-I461 HydrophobicContact CG2-CD1 3.9Å; I457-I461 WeakPolarHBondContact O-CG1 3.29Å; I457-I461 PolarHBondContact O-N 3.47Å; I457-L486 HydrophobicContact CB-CD2 4.13Å; I457-L486 HydrophobicContact CG2-CD1 3.65Å; I457-L486 HydrophobicContact CG2-CD2 3.77Å; I457-L486 HydrophobicContact CG2-CG 4.36Å; I457-E492 HydrophobicContact CG2-CB 3.92Å; I457-E492 HydrophobicContact CG2-CG 3.82Å
458	M	98.2	Very high	95.2	Very high	1 Å²	1	47.2 Å²	47.2	1%	0.005	24%	0.238	C	C	.	.	H	α-helix	trans	-54	-45.1	175.9	-170.6	-162	-59.4	0	0	111.4	V437 T440 F447 N454 V455 I461 L462 V482 A483 L486	V437-M458 HydrophobicContact CB-SD 4.22Å; V437-M458 HydrophobicContact CG1-CG 4.28Å; V437-M458 HydrophobicContact CG1-SD 3.86Å; T440-M458 HydrophobicContact CG2-CE 4.11Å; T440-M458 HydrophobicContact CG2-SD 4.4Å; F447-M458 HydrophobicContact CD1-CE 3.71Å; F447-M458 HydrophobicContact CD2-CE 4.38Å; F447-M458 HydrophobicContact CE1-CE 3.26Å; F447-M458 HydrophobicContact CE2-CE 4Å; F447-M458 HydrophobicContact CG-CE 4.25Å; F447-M458 HydrophobicContact CZ-CE 3.43Å; F447-M458 VanDerWaalsContact CZ-CE 3.43Å; N454-M458 WeakPolarHBondContact O-CB 3.46Å; N454-M458 PolarHBondContact O-N 2.86Å; V455-M458 PolarHBondContact O-N 2.79Å; M458-I461 PolarHBondContact O-N 3.38Å; M458-L462 HydrophobicContact CG-CD1 4.16Å; M458-L462 WeakPolarHBondContact O-CG 3.45Å; M458-L462 PolarHBondContact O-N 3.19Å; M458-L462 HydrophobicContact SD-CD1 4.49Å; M458-V482 HydrophobicContact CG-CG1 3.61Å; M458-V482 HydrophobicContact SD-CG1 4.26Å; M458-A483 HydrophobicContact CE-CB 3.66Å; M458-A483 HydrophobicContact SD-CB 4.47Å; M458-L486 HydrophobicContact CB-CD2 3.95Å
459	R	97.9	Very high	95.4	Very high	50 Å²	50	42.9 Å²	42.9	19%	0.189	22%	0.224	C	C	.	.	H	α-helix	trans	-60.1	-49.1	176.9	-171.3	-168	175.5	-113.9	-5.8	112.1	Q430 V433 D434 V437 V455 E456 I457 I461 L462 L463	Q430-R459 VanDerWaalsContact NE2-NH2 3.11Å; V433-R459 HydrophobicContact CG1-CG 4.1Å; D434-R459 IonicContact OD1-CZ 2.67Å; D434-R459 VanDerWaalsContact OD1-CZ 3.23Å; D434-R459 IonicContact OD1-NE 3.1Å; D434-R459 PolarHBondContact OD1-NE 3.26Å; D434-R459 IonicContact OD1-NH2 3.67Å; D434-R459 PolarHBondContact OD1-NH2 2.87Å; D434-R459 IonicContact OD2-NH2 2.78Å; D434-R459 PolarHBondContact OD2-NH2 3.13Å; V437-R459 HydrophobicContact CG1-CB 4.17Å; V437-R459 HydrophobicContact CG2-CB 4.21Å; V437-R459 HydrophobicContact CG2-CG 4.32Å; V455-R459 VanDerWaalsContact O-CB 3.27Å; V455-R459 WeakPolarHBondContact O-CB 3.45Å; V455-R459 PolarHBondContact O-N 2.97Å; E456-R459 WeakPolarHBondContact O-CB 3.2Å; E456-R459 PolarHBondContact O-N 2.75Å; E456-R459 IonicContact OE1-CZ 3.49Å; E456-R459 IonicContact OE1-NH1 2.85Å; E456-R459 PolarHBondContact OE1-NH1 2.9Å; E456-R459 WeakPolarHBondContact OE2-CD 3.48Å; E456-R459 IonicContact OE2-NE 2.7Å; E456-R459 IonicContact OE2-NH1 3.23Å; I457-R459 VanDerWaalsContact C-N 3.25Å; I457-R459 PolarHBondContact O-N 3.2Å; R459-I461 VanDerWaalsContact C-N 3.33Å; R459-I461 PolarHBondContact O-N 2.83Å; R459-L462 PolarHBondContact O-N 3.14Å; R459-L463 HydrophobicContact CG-CD1 4Å; R459-L463 HydrophobicContact CG-CG 4.41Å; R459-L463 WeakPolarHBondContact O-CB 3.47Å; R459-L463 VanDerWaalsContact O-CG 3.25Å; R459-L463 WeakPolarHBondContact O-CG 3.42Å; R459-L463 PolarHBondContact O-N 2.89Å
460	R	98.5	Very high	95.6	Very high	66 Å²	66	45.7 Å²	45.7	25%	0.249	24%	0.236	C	C	.	.	H	α-helix	trans	-58.7	-44	176.9	-74.6	-167.2	-56.7	-96.1	10.5	111.9	E456 I457 L462 L463 N464 E492	E456-R460 WeakPolarHBondContact O-CG 3.46Å; E456-R460 PolarHBondContact O-N 2.95Å; I457-R460 PolarHBondContact O-N 3.21Å; I457-R460 VanDerWaalsContact O-N 3.15Å; R460-L462 PolarHBondContact O-N 2.92Å; R460-L463 PolarHBondContact O-N 2.81Å; R460-N464 WeakPolarHBondContact O-CB 3.5Å; R460-N464 PolarHBondContact O-N 2.89Å; R460-N464 PolarHBondContact O-ND2 3.24Å; R460-E492 WeakPolarHBondContact CB-OE1 3.29Å; R460-E492 IonicContact CZ-OE1 3.81Å; R460-E492 IonicContact CZ-OE2 3.51Å; R460-E492 IonicContact NE-OE1 2.8Å; R460-E492 PolarHBondContact NE-OE1 2.59Å; R460-E492 IonicContact NE-OE2 3.87Å; R460-E492 PolarHBondContact NE-OE2 3.29Å; R460-E492 IonicContact NH2-OE1 2.7Å; R460-E492 IonicContact NH2-OE2 3.76Å; R460-E492 PolarHBondContact NH2-OE2 3.17Å
461	I	98.7	Very high	95.6	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-58.1	-50.1	177.3	-66.1	166.3	0	0	0	110.8	I457 M458 R459 N464 Y465 V482 L486 E492 T495 F496	I457-I461 HydrophobicContact CG2-CD1 3.9Å; I457-I461 WeakPolarHBondContact O-CG1 3.29Å; I457-I461 PolarHBondContact O-N 3.47Å; M458-I461 PolarHBondContact O-N 3.38Å; R459-I461 VanDerWaalsContact C-N 3.33Å; R459-I461 PolarHBondContact O-N 2.83Å; I461-N464 PolarHBondContact O-N 2.97Å; I461-Y465 WeakPolarHBondContact O-CB 3.39Å; I461-Y465 PolarHBondContact O-N 3.23Å; I461-V482 HydrophobicContact CG2-CG2 3.85Å; I461-L486 HydrophobicContact CD1-CD1 3.98Å; I461-L486 HydrophobicContact CD1-CD2 4.37Å; I461-E492 HydrophobicContact CD1-CG 4.11Å; I461-E492 HydrophobicContact CG1-CG 3.81Å; I461-T495 HydrophobicContact CD1-CG2 3.77Å; I461-F496 HydrophobicContact CG1-CB 4.48Å; I461-F496 HydrophobicContact CG2-CB 4.1Å; I461-F496 HydrophobicContact CG2-CD2 4.14Å
462	L	98.3	Very high	95.6	Very high	0 Å²	0	37 Å²	37	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-65.3	-40.1	-179.7	-68.1	170.2	0	0	0	113	V433 V437 M458 R459 R460 Y465 A466 Y474 M478 V482 F499	V433-L462 HydrophobicContact CG1-CB 3.85Å; V433-L462 HydrophobicContact CG1-CD1 4.05Å; V433-L462 HydrophobicContact CG2-CB 4.33Å; V437-L462 HydrophobicContact CG1-CD1 3.8Å; M458-L462 HydrophobicContact CG-CD1 4.16Å; M458-L462 WeakPolarHBondContact O-CG 3.45Å; M458-L462 PolarHBondContact O-N 3.19Å; M458-L462 HydrophobicContact SD-CD1 4.49Å; R459-L462 PolarHBondContact O-N 3.14Å; R460-L462 PolarHBondContact O-N 2.92Å; L462-Y465 PolarHBondContact O-N 2.84Å; L462-A466 PolarHBondContact O-N 2.96Å; L462-A466 VanDerWaalsContact O-N 3.13Å; L462-Y474 HydrophobicContact CB-CD2 4.36Å; L462-Y474 HydrophobicContact CB-CE2 4.44Å; L462-Y474 HydrophobicContact CD1-CE2 3.93Å; L462-Y474 HydrophobicContact CD2-CD2 4.14Å; L462-Y474 HydrophobicContact CD2-CE2 3.87Å; L462-Y474 HydrophobicContact CG-CE2 4.3Å; L462-M478 HydrophobicContact CD2-CB 4.18Å; L462-V482 HydrophobicContact CD1-CG1 4.12Å; L462-V482 HydrophobicContact CD2-CB 4.39Å; L462-V482 HydrophobicContact CD2-CG1 3.77Å; L462-V482 HydrophobicContact CG-CG1 3.98Å; L462-F499 HydrophobicContact CD2-CE1 4.12Å; L462-F499 HydrophobicContact CD2-CZ 4.12Å
463	L	98.3	Very high	95.4	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-70.6	-39	177.3	-65.2	179.8	0	0	0	112.2	F425 V429 Q430 V433 R459 R460 Y465 V467	F425-L463 HydrophobicContact CE1-CD2 4.02Å; F425-L463 HydrophobicContact CZ-CB 4.29Å; F425-L463 HydrophobicContact CZ-CD2 4.05Å; V429-L463 HydrophobicContact CG1-CD2 4Å; Q430-L463 HydrophobicContact CB-CD2 4.02Å; Q430-L463 HydrophobicContact CG-CD1 3.81Å; Q430-L463 HydrophobicContact CG-CD2 3.6Å; Q430-L463 HydrophobicContact CG-CG 4.37Å; V433-L463 HydrophobicContact CB-CD2 3.86Å; V433-L463 HydrophobicContact CG1-CD2 3.98Å; V433-L463 HydrophobicContact CG1-CG 4.17Å; V433-L463 HydrophobicContact CG2-CD2 3.9Å; R459-L463 HydrophobicContact CG-CD1 4Å; R459-L463 HydrophobicContact CG-CG 4.41Å; R459-L463 WeakPolarHBondContact O-CB 3.47Å; R459-L463 VanDerWaalsContact O-CG 3.25Å; R459-L463 WeakPolarHBondContact O-CG 3.42Å; R459-L463 PolarHBondContact O-N 2.89Å; R460-L463 PolarHBondContact O-N 2.81Å; L463-Y465 VanDerWaalsContact C-N 3.31Å; L463-V467 PolarHBondContact O-N 3.14Å
464	N	98.4	Very high	95.3	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-67	-35.3	173.6	-68.3	-15.5	0	0	0	110.3	Y407 I410 Q411 R414 R460 I461 V467 F468 F496	Y407-N464 HydrophobicContact CE2-CB 3.89Å; Y407-N464 WeakPolarHBondContact CE2-ND2 3.23Å; Y407-N464 PolarHBondContact OH-ND2 3.05Å; I410-N464 HydrophobicContact CG2-CB 3.88Å; I410-N464 VanDerWaalsContact CG2-O 3.22Å; I410-N464 WeakPolarHBondContact CG2-O 3.26Å; Q411-N464 PolarHBondContact OE1-ND2 3.38Å; R414-N464 PolarHBondContact NE-OD1 3Å; R414-N464 PolarHBondContact NH2-OD1 2.82Å; R460-N464 WeakPolarHBondContact O-CB 3.5Å; R460-N464 PolarHBondContact O-N 2.89Å; R460-N464 PolarHBondContact O-ND2 3.24Å; I461-N464 PolarHBondContact O-N 2.97Å; N464-V467 PolarHBondContact O-N 3.05Å; N464-F468 PolarHBondContact O-N 2.69Å; N464-F496 HydrophobicContact CB-CD2 4.47Å; N464-F496 HydrophobicContact CB-CE2 4.19Å
465	Y	97.6	Very high	94.8	Very high	1 Å²	1	33.1 Å²	33.1	0%	0.004	17%	0.172	C	C	.	.	H	α-helix	trans	-62.2	-45.9	176	-174	-84.8	0	0	0	112.1	I461 L462 L463 V467 F468 N469 M472 M478 F496 F499 V500 M503	I461-Y465 WeakPolarHBondContact O-CB 3.39Å; I461-Y465 PolarHBondContact O-N 3.23Å; L462-Y465 PolarHBondContact O-N 2.84Å; L463-Y465 VanDerWaalsContact C-N 3.31Å; Y465-V467 PolarHBondContact O-N 3.07Å; Y465-V467 VanDerWaalsContact O-N 3.16Å; Y465-F468 HydrophobicContact CE2-CD1 4.47Å; Y465-F468 WeakPolarHBondContact O-CB 3.4Å; Y465-F468 PolarHBondContact O-N 2.95Å; Y465-N469 HydrophobicContact CE1-CB 3.9Å; Y465-N469 PolarHBondContact O-N 3.4Å; Y465-N469 PolarHBondContact OH-ND2 3.28Å; Y465-M472 HydrophobicContact CE1-CE 3.49Å; Y465-M472 VanDerWaalsContact CE1-CE 3.49Å; Y465-M472 WeakPolarHBondContact OH-CE 3.49Å; Y465-M478 HydrophobicContact CD1-CE 3.63Å; Y465-M478 HydrophobicContact CE1-CE 3.76Å; Y465-M478 HydrophobicContact CG-CE 4.45Å; Y465-F496 HydrophobicContact CD2-CE2 4.36Å; Y465-F499 HydrophobicContact CD1-CE1 4.2Å; Y465-F499 AromaticContact CD2-CD1 3.67Å; Y465-F499 HydrophobicContact CD2-CD1 3.67Å; Y465-F499 AromaticContact CD2-CE1 3.8Å; Y465-F499 HydrophobicContact CD2-CE1 3.8Å; Y465-F499 HydrophobicContact CE2-CD1 4.25Å; Y465-F499 HydrophobicContact CE2-CE1 4.3Å; Y465-F499 HydrophobicContact CG-CD1 4.03Å; Y465-F499 AromaticContact CG-CE1 3.76Å; Y465-F499 HydrophobicContact CG-CE1 3.76Å; Y465-V500 HydrophobicContact CD2-CG2 3.88Å; Y465-V500 HydrophobicContact CE2-CB 4.39Å; Y465-V500 HydrophobicContact CE2-CG2 3.78Å; Y465-M503 HydrophobicContact CE2-CB 4.43Å; Y465-M503 HydrophobicContact CE2-CG 4.3Å
466	A	96.4	Very high	94.2	Very high	5 Å²	5	38.9 Å²	38.9	4%	0.041	20%	0.198	C	C	.	.	H	α-helix	trans	-65.2	-16.5	177.4	0	0	0	0	0	114.2	F425 V429 L462 G473	F425-A466 HydrophobicContact CE2-CB 4Å; F425-A466 HydrophobicContact CZ-CB 4.39Å; V429-A466 HydrophobicContact CB-CB 4.38Å; V429-A466 HydrophobicContact CG1-CB 3.49Å; V429-A466 VanDerWaalsContact CG1-CB 3.49Å; V429-A466 HydrophobicContact CG2-CB 4Å; L462-A466 PolarHBondContact O-N 2.96Å; L462-A466 VanDerWaalsContact O-N 3.13Å; A466-G473 WeakPolarHBondContact CA-O 3.43Å; A466-G473 WeakPolarHBondContact CB-O 3.46Å
467	V	97.2	Very high	93.7	Very high	22 Å²	22	35.5 Å²	35.5	13%	0.133	18%	0.184	C	C	.	.	H	α-helix	trans	-92.1	-26.8	171.9	174.3	0	0	0	0	112	I410 R414 M417 F425 L463 N464 Y465	I410-V467 HydrophobicContact CG2-CB 4.36Å; I410-V467 HydrophobicContact CG2-CG1 4.34Å; R414-V467 HydrophobicContact CB-CG2 3.98Å; R414-V467 HydrophobicContact CG-CG2 3.96Å; M417-V467 HydrophobicContact CE-CG2 3.64Å; F425-V467 HydrophobicContact CD2-CG2 4.28Å; F425-V467 HydrophobicContact CE2-CG2 3.58Å; F425-V467 HydrophobicContact CZ-CG2 3.92Å; L463-V467 PolarHBondContact O-N 3.14Å; N464-V467 PolarHBondContact O-N 3.05Å; Y465-V467 PolarHBondContact O-N 3.07Å; Y465-V467 VanDerWaalsContact O-N 3.16Å
468	F	96.7	Very high	93.4	Very high	60 Å²	60	34.3 Å²	34.3	26%	0.263	18%	0.178	S	C	.	.	H	α-helix	trans	-73.4	-44.8	172.1	176.3	-102.6	0	0	0	112.2	I410 N464 Y465 P470 F496 W497 V500	I410-F468 HydrophobicContact CD1-CB 4.2Å; I410-F468 HydrophobicContact CD1-CD2 3.67Å; I410-F468 HydrophobicContact CD1-CG 4.26Å; I410-F468 HydrophobicContact CG1-CD2 4.39Å; I410-F468 HydrophobicContact CG2-CB 4.37Å; N464-F468 PolarHBondContact O-N 2.69Å; Y465-F468 HydrophobicContact CE2-CD1 4.47Å; Y465-F468 WeakPolarHBondContact O-CB 3.4Å; Y465-F468 PolarHBondContact O-N 2.95Å; F468-P470 WeakPolarHBondContact O-CD 3.06Å; F468-F496 HydrophobicContact CB-CZ 3.95Å; F468-F496 HydrophobicContact CD1-CZ 4.39Å; F468-F496 HydrophobicContact CG-CZ 4.04Å; F468-W497 HydrophobicContact CD2-CH2 4.32Å; F468-W497 AromaticContact CE2-CH2 3.79Å; F468-W497 HydrophobicContact CE2-CH2 3.79Å; F468-W497 AromaticContact CE2-CZ3 3.95Å; F468-W497 HydrophobicContact CE2-CZ3 3.95Å; F468-W497 HydrophobicContact CZ-CH2 4.2Å; F468-W497 AromaticContact CZ-CZ3 3.87Å; F468-W497 HydrophobicContact CZ-CZ3 3.87Å; F468-V500 HydrophobicContact CD1-CG2 4.01Å; F468-V500 HydrophobicContact CE1-CG1 3.72Å; F468-V500 HydrophobicContact CE1-CG2 3.94Å; F468-V500 HydrophobicContact CZ-CG1 4.27Å
469	N	92.5	Very high	93.2	Very high	38 Å²	38	34.3 Å²	34.3	20%	0.203	18%	0.178	C	C	.	.			trans	-122	79.5	179.4	-176.3	-5.7	0	0	0	110.6	Y465 D471 M472 G473	Y465-N469 HydrophobicContact CE1-CB 3.9Å; Y465-N469 PolarHBondContact O-N 3.4Å; Y465-N469 PolarHBondContact OH-ND2 3.28Å; N469-D471 VanDerWaalsContact C-N 3.28Å; N469-D471 PolarHBondContact O-N 2.98Å; N469-M472 PolarHBondContact O-N 2.91Å; N469-M472 PolarHBondContact OD1-N 2.86Å; N469-G473 PolarHBondContact O-N 2.78Å
470	P	90.8	Very high	92.8	Very high	96 Å²	96	32.1 Å²	32.1	62%	0.623	17%	0.17	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.2	-21.1	-176.6	29.1	-36.1	0	0	0	113.9	F468 M472	F468-P470 WeakPolarHBondContact O-CD 3.06Å; P470-M472 VanDerWaalsContact C-N 3.28Å; P470-M472 PolarHBondContact O-N 2.97Å
471	D	87.1	Confident	92.6	Very high	141 Å²	141	29.2 Å²	29.2	75%	0.754	16%	0.159	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.6	-22.3	177.9	-73.8	-13.4	0	0	0	112.7	N469	N469-D471 VanDerWaalsContact C-N 3.28Å; N469-D471 PolarHBondContact O-N 2.98Å
472	M	85.4	Confident	92.4	Very high	25 Å²	25	29.2 Å²	29.2	12%	0.123	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.8	-33	170.4	-171.9	166.5	64.9	0	0	112.6	Y465 N469 P470 Y474 M478 M503 S511	Y465-M472 HydrophobicContact CE1-CE 3.49Å; Y465-M472 VanDerWaalsContact CE1-CE 3.49Å; Y465-M472 WeakPolarHBondContact OH-CE 3.49Å; N469-M472 PolarHBondContact O-N 2.91Å; N469-M472 PolarHBondContact OD1-N 2.86Å; P470-M472 VanDerWaalsContact C-N 3.28Å; P470-M472 PolarHBondContact O-N 2.97Å; M472-Y474 PolarHBondContact O-N 2.86Å; M472-M478 HydrophobicContact CE-CE 4.36Å; M472-M503 HydrophobicContact CE-CB 4.12Å; M472-M503 HydrophobicContact CE-CE 3.45Å; M472-M503 VanDerWaalsContact CE-CE 3.45Å; M472-M503 HydrophobicContact CE-CG 4.29Å; M472-M503 HydrophobicContact SD-CE 3.89Å; M472-S511 VanDerWaalsContact SD-CB 3.54Å; M472-S511 PolarHBondContact SD-OG 3.43Å
473	G	90.1	Very high	92.3	Very high	9 Å²	9	29.2 Å²	29.2	9%	0.093	16%	0.159	C	C	.	.			trans	61.9	-115.2	177.4	0	0	0	0	0	112.6	A466 N469	A466-G473 WeakPolarHBondContact CA-O 3.43Å; A466-G473 WeakPolarHBondContact CB-O 3.46Å; N469-G473 PolarHBondContact O-N 2.78Å
474	Y	91.1	Very high	92.1	Very high	21 Å²	21	29.4 Å²	29.4	8%	0.082	16%	0.16	C	C	.	.			trans	-135.2	133.2	172.8	176.8	-94.4	0	0	0	110.5	T432 V433 D436 L462 M472 M478 S479	T432-Y474 HydrophobicContact CG2-CD1 4.02Å; T432-Y474 HydrophobicContact CG2-CE1 3.83Å; V433-Y474 HydrophobicContact CG2-CD1 3.7Å; V433-Y474 HydrophobicContact CG2-CD2 3.57Å; V433-Y474 HydrophobicContact CG2-CE1 4.08Å; V433-Y474 HydrophobicContact CG2-CE2 3.95Å; V433-Y474 HydrophobicContact CG2-CG 3.44Å; V433-Y474 VanDerWaalsContact CG2-CG 3.44Å; D436-Y474 WeakPolarHBondContact CB-OH 3.32Å; D436-Y474 WeakPolarHBondContact OD2-CE1 3.43Å; D436-Y474 PolarHBondContact OD2-OH 3.1Å; L462-Y474 HydrophobicContact CB-CD2 4.36Å; L462-Y474 HydrophobicContact CB-CE2 4.44Å; L462-Y474 HydrophobicContact CD1-CE2 3.93Å; L462-Y474 HydrophobicContact CD2-CD2 4.14Å; L462-Y474 HydrophobicContact CD2-CE2 3.87Å; L462-Y474 HydrophobicContact CG-CE2 4.3Å; M472-Y474 PolarHBondContact O-N 2.86Å; Y474-M478 HydrophobicContact CD2-CB 3.95Å; Y474-M478 HydrophobicContact CD2-SD 4.24Å; Y474-M478 HydrophobicContact CE2-CB 3.53Å; Y474-S479 PolarHBondContact OH-N 3.29Å
475	C	87	Confident	92	Very high	34 Å²	34	29.4 Å²	29.4	23%	0.23	16%	0.16	C	C	.	.			trans	-116.6	140.1	174.4	-65.2	0	0	0	0	110.1	G477 M478 P512	C475-G477 PolarHBondContact O-N 2.9Å; C475-M478 HydrophobicContact CB-SD 3.97Å; C475-M478 PolarHBondContact N-SD 3.39Å; C475-M478 WeakPolarHBondContact O-CB 3.38Å; C475-M478 WeakPolarHBondContact O-CG 3.36Å; C475-M478 PolarHBondContact O-N 2.95Å; C475-M478 VanDerWaalsContact O-N 3.08Å; C475-P512 HydrophobicContact CB-CG 4.18Å; C475-P512 VanDerWaalsContact SG-CD 3.54Å; C475-P512 WeakPolarHBondContact SG-CG 3.38Å
476	Q	83.5	Confident	92.1	Very high	140 Å²	140	29.4 Å²	29.4	65%	0.654	16%	0.161	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.7	125.8	-178.8	-176.5	178.8	0.2	0	0	110.6
477	G	85.4	Confident	92.1	Very high	5 Å²	5	30.4 Å²	30.4	5%	0.052	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	108	-17.9	-174.5	0	0	0	0	0	114.3	C475 S479 D480 L481	C475-G477 PolarHBondContact O-N 2.9Å; G477-S479 PolarHBondContact O-N 2.78Å; G477-D480 WeakPolarHBondContact O-CB 3.47Å; G477-D480 PolarHBondContact O-N 3.35Å; G477-L481 PolarHBondContact O-N 3.47Å
478	M	91.3	Very high	92	Very high	7 Å²	7	31.4 Å²	31.4	3%	0.034	17%	0.169	C	C	.	.	H	α-helix	trans	-59.8	-27.1	173.2	-78.1	170.2	71.1	0	0	112.6	L462 Y465 M472 Y474 C475 D480 L481 V482 F499 M503	L462-M478 HydrophobicContact CD2-CB 4.18Å; Y465-M478 HydrophobicContact CD1-CE 3.63Å; Y465-M478 HydrophobicContact CE1-CE 3.76Å; Y465-M478 HydrophobicContact CG-CE 4.45Å; M472-M478 HydrophobicContact CE-CE 4.36Å; Y474-M478 HydrophobicContact CD2-CB 3.95Å; Y474-M478 HydrophobicContact CD2-SD 4.24Å; Y474-M478 HydrophobicContact CE2-CB 3.53Å; C475-M478 HydrophobicContact CB-SD 3.97Å; C475-M478 PolarHBondContact N-SD 3.39Å; C475-M478 WeakPolarHBondContact O-CB 3.38Å; C475-M478 WeakPolarHBondContact O-CG 3.36Å; C475-M478 PolarHBondContact O-N 2.95Å; C475-M478 VanDerWaalsContact O-N 3.08Å; M478-D480 VanDerWaalsContact C-N 3.35Å; M478-D480 PolarHBondContact O-N 3.25Å; M478-L481 PolarHBondContact O-N 2.79Å; M478-V482 PolarHBondContact O-N 3.26Å; M478-V482 VanDerWaalsContact O-N 3.08Å; M478-F499 HydrophobicContact CB-CZ 4.08Å; M478-F499 HydrophobicContact CE-CE1 3.71Å; M478-F499 HydrophobicContact CE-CZ 3.6Å; M478-F499 HydrophobicContact CG-CZ 4.27Å; M478-M503 HydrophobicContact CE-CE 4.14Å; M478-M503 HydrophobicContact CE-SD 4.35Å; M478-M503 HydrophobicContact CG-CE 4.17Å; M478-M503 HydrophobicContact CG-SD 4.38Å; M478-M503 HydrophobicContact SD-CE 4.19Å
479	S	93.9	Very high	92	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-60.1	-40.1	170.2	63.5	0	0	0	0	113.2	T440 Y474 G477 L481 A483	T440-S479 WeakPolarHBondContact OG1-CB 3.44Å; T440-S479 PolarHBondContact OG1-OG 3.03Å; Y474-S479 PolarHBondContact OH-N 3.29Å; G477-S479 PolarHBondContact O-N 2.78Å; S479-L481 PolarHBondContact O-N 2.97Å; S479-A483 VanDerWaalsContact O-CB 3.3Å; S479-A483 WeakPolarHBondContact O-CB 3.42Å; S479-A483 PolarHBondContact O-N 2.94Å; S479-A483 VanDerWaalsContact O-N 3.1Å
480	D	91.4	Very high	92.2	Very high	5 Å²	5	33.9 Å²	33.9	3%	0.027	18%	0.181	C	C	.	.	H	α-helix	trans	-72.1	-19.2	178.2	-61.9	-18.7	0	0	0	112.5	T440 G477 M478 P484 K561 R562	T440-D480 WeakPolarHBondContact CG2-OD1 3.4Å; T440-D480 PolarHBondContact OG1-OD1 3.08Å; G477-D480 WeakPolarHBondContact O-CB 3.47Å; G477-D480 PolarHBondContact O-N 3.35Å; M478-D480 VanDerWaalsContact C-N 3.35Å; M478-D480 PolarHBondContact O-N 3.25Å; D480-P484 WeakPolarHBondContact O-CD 3.3Å; D480-K561 HydrophobicContact CB-CG 4.42Å; D480-K561 WeakPolarHBondContact O-CE 3.44Å; D480-R562 IonicContact OD1-CZ 2.67Å; D480-R562 IonicContact OD1-NH2 3.37Å; D480-R562 PolarHBondContact OD1-NH2 3.36Å; D480-R562 IonicContact OD2-CZ 3.74Å; D480-R562 IonicContact OD2-NE 3.53Å; D480-R562 PolarHBondContact OD2-NE 2.7Å; D480-R562 IonicContact OD2-NH2 3.92Å; D480-R562 PolarHBondContact OD2-NH2 3.24Å
481	L	92.4	Very high	92.5	Very high	5 Å²	5	31.5 Å²	31.5	3%	0.026	16%	0.163	C	C	.	.	H	α-helix	trans	-86	-39.7	176.5	-61.1	-178.3	0	0	0	112.6	G477 M478 S479 F499 L502 M503 I509 C559 W573	G477-L481 PolarHBondContact O-N 3.47Å; M478-L481 PolarHBondContact O-N 2.79Å; S479-L481 PolarHBondContact O-N 2.97Å; L481-F499 HydrophobicContact CB-CE2 4.11Å; L481-L502 HydrophobicContact CB-CD2 4.28Å; L481-M503 HydrophobicContact CD1-SD 4.24Å; L481-I509 HydrophobicContact CD1-CD1 4.35Å; L481-I509 HydrophobicContact CD1-CG1 4.4Å; L481-I509 HydrophobicContact CD1-CG2 4.03Å; L481-C559 HydrophobicContact CD2-CB 3.95Å; L481-W573 HydrophobicContact CD2-CH2 4.1Å; L481-W573 HydrophobicContact CD2-CZ2 4.05Å
482	V	95.3	Very high	93	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-80.5	-25.6	179	71	0	0	0	0	113.1	M458 I461 L462 M478 L485 L486 T495 F499	M458-V482 HydrophobicContact CG-CG1 3.61Å; M458-V482 HydrophobicContact SD-CG1 4.26Å; I461-V482 HydrophobicContact CG2-CG2 3.85Å; L462-V482 HydrophobicContact CD1-CG1 4.12Å; L462-V482 HydrophobicContact CD2-CB 4.39Å; L462-V482 HydrophobicContact CD2-CG1 3.77Å; L462-V482 HydrophobicContact CG-CG1 3.98Å; M478-V482 PolarHBondContact O-N 3.26Å; M478-V482 VanDerWaalsContact O-N 3.08Å; V482-L485 WeakPolarHBondContact O-CB 3.4Å; V482-L485 PolarHBondContact O-N 3.05Å; V482-L486 PolarHBondContact O-N 3.37Å; V482-T495 HydrophobicContact CG2-CG2 4.11Å; V482-F499 HydrophobicContact CB-CD2 3.71Å; V482-F499 HydrophobicContact CB-CE2 3.86Å; V482-F499 HydrophobicContact CB-CG 4.22Å; V482-F499 HydrophobicContact CB-CZ 4.47Å; V482-F499 HydrophobicContact CG2-CB 4.24Å; V482-F499 HydrophobicContact CG2-CD2 3.98Å; V482-F499 HydrophobicContact CG2-CG 4.02Å
483	A	95.8	Very high	93.6	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-57.8	-42.2	-176.5	0	0	0	0	0	114.2	T440 F447 M458 S479 T487	T440-A483 HydrophobicContact CG2-CB 3.65Å; F447-A483 HydrophobicContact CE2-CB 3.74Å; F447-A483 HydrophobicContact CZ-CB 3.95Å; F447-A483 WeakPolarHBondContact CZ-O 3.25Å; M458-A483 HydrophobicContact CE-CB 3.66Å; M458-A483 HydrophobicContact SD-CB 4.47Å; S479-A483 VanDerWaalsContact O-CB 3.3Å; S479-A483 WeakPolarHBondContact O-CB 3.42Å; S479-A483 PolarHBondContact O-N 2.94Å; S479-A483 VanDerWaalsContact O-N 3.1Å; A483-T487 PolarHBondContact O-N 2.93Å; A483-T487 VanDerWaalsContact O-N 3.17Å; A483-T487 PolarHBondContact O-OG1 3.07Å
484	P	95.2	Very high	94	Very high	4 Å²	4	25.3 Å²	25.3	3%	0.026	13%	0.127	C	C	.	.	H	α-helix	trans	-71.2	-39.1	174.1	-20	34.7	0	0	0	113.2	D480 L486 T487 E488 K561 L570 W573	D480-P484 WeakPolarHBondContact O-CD 3.3Å; P484-L486 VanDerWaalsContact C-N 3.28Å; P484-L486 PolarHBondContact O-N 3.23Å; P484-T487 PolarHBondContact O-N 3.42Å; P484-T487 VanDerWaalsContact O-N 3.12Å; P484-E488 WeakPolarHBondContact O-CG 3.38Å; P484-E488 PolarHBondContact O-N 2.84Å; P484-E488 VanDerWaalsContact O-N 3.07Å; P484-K561 HydrophobicContact CG-CD 4.44Å; P484-L570 HydrophobicContact CB-CD1 4.28Å; P484-L570 HydrophobicContact CB-CD2 3.72Å; P484-L570 HydrophobicContact CG-CD2 4.22Å; P484-W573 HydrophobicContact CB-CZ3 4.16Å; P484-W573 HydrophobicContact CG-CH2 3.98Å; P484-W573 HydrophobicContact CG-CZ3 3.95Å
485	L	96.8	Very high	94.4	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-54.6	-48	174.6	-63.9	-171.4	0	0	0	110.6	W380 L384 V482 T487 E488 I489 T495 C498 F499 L502 W577	W380-L485 HydrophobicContact CE3-CD2 3.68Å; W380-L485 HydrophobicContact CZ3-CD2 3.81Å; L384-L485 HydrophobicContact CD1-CD1 4.49Å; L384-L485 HydrophobicContact CD1-CD2 3.65Å; V482-L485 WeakPolarHBondContact O-CB 3.4Å; V482-L485 PolarHBondContact O-N 3.05Å; L485-T487 VanDerWaalsContact C-N 3.31Å; L485-T487 PolarHBondContact O-N 2.94Å; L485-E488 PolarHBondContact O-N 2.8Å; L485-I489 HydrophobicContact CB-CD1 4.21Å; L485-I489 HydrophobicContact CD2-CD1 4.46Å; L485-I489 VanDerWaalsContact O-CB 3.27Å; L485-I489 WeakPolarHBondContact O-CB 3.31Å; L485-I489 WeakPolarHBondContact O-CG1 3.46Å; L485-I489 PolarHBondContact O-N 3.34Å; L485-T495 HydrophobicContact CB-CG2 3.95Å; L485-C498 HydrophobicContact CD1-CB 4.37Å; L485-F499 HydrophobicContact CD1-CB 3.84Å; L485-F499 HydrophobicContact CD1-CD2 4.07Å; L485-F499 HydrophobicContact CD1-CG 4.48Å; L485-L502 HydrophobicContact CD1-CB 4.39Å; L485-L502 HydrophobicContact CD1-CD2 3.91Å; L485-L502 HydrophobicContact CG-CD2 4.48Å; L485-W577 HydrophobicContact CD2-CH2 4.25Å
486	L	97.9	Very high	94.9	Very high	1 Å²	1	22.7 Å²	22.7	1%	0.005	11%	0.113	C	C	.	.	H	α-helix	trans	-66.3	-32.8	179.8	-173.9	57.4	0	0	0	113	F446 F447 I457 M458 I461 V482 P484 Q490 T495	F446-L486 HydrophobicContact CE1-CD2 4.28Å; F446-L486 HydrophobicContact CE1-CG 3.9Å; F446-L486 HydrophobicContact CZ-CG 4.19Å; F446-L486 WeakPolarHBondContact CZ-O 3.23Å; F447-L486 HydrophobicContact CE1-CD2 4.1Å; F447-L486 HydrophobicContact CZ-CD2 4.35Å; I457-L486 HydrophobicContact CB-CD2 4.13Å; I457-L486 HydrophobicContact CG2-CD1 3.65Å; I457-L486 HydrophobicContact CG2-CD2 3.77Å; I457-L486 HydrophobicContact CG2-CG 4.36Å; M458-L486 HydrophobicContact CB-CD2 3.95Å; I461-L486 HydrophobicContact CD1-CD1 3.98Å; I461-L486 HydrophobicContact CD1-CD2 4.37Å; V482-L486 PolarHBondContact O-N 3.37Å; P484-L486 VanDerWaalsContact C-N 3.28Å; P484-L486 PolarHBondContact O-N 3.23Å; L486-Q490 VanDerWaalsContact O-CA 3.3Å; L486-Q490 WeakPolarHBondContact O-CA 3.46Å; L486-Q490 PolarHBondContact O-N 2.9Å; L486-Q490 VanDerWaalsContact O-N 3.1Å; L486-T495 HydrophobicContact CB-CG2 3.84Å; L486-T495 HydrophobicContact CD1-CG2 4.05Å
487	T	96.6	Very high	95.6	Very high	26 Å²	26	16.5 Å²	16.5	16%	0.16	8%	0.083	C	C	.	.	H	α-helix	trans	-67.9	-36.6	177.9	-56	0	0	0	0	111.7	F446 A483 P484 L485 Q490	F446-T487 HydrophobicContact CB-CG2 4.13Å; F446-T487 HydrophobicContact CD2-CG2 4.33Å; F446-T487 HydrophobicContact CG-CG2 4.11Å; A483-T487 PolarHBondContact O-N 2.93Å; A483-T487 VanDerWaalsContact O-N 3.17Å; A483-T487 PolarHBondContact O-OG1 3.07Å; P484-T487 PolarHBondContact O-N 3.42Å; P484-T487 VanDerWaalsContact O-N 3.12Å; L485-T487 VanDerWaalsContact C-N 3.31Å; L485-T487 PolarHBondContact O-N 2.94Å; T487-Q490 WeakPolarHBondContact O-CG 3.32Å; T487-Q490 PolarHBondContact O-NE2 3.25Å
488	E	96.6	Very high	96.2	Very high	43 Å²	43	16.2 Å²	16.2	20%	0.201	8%	0.081	C	C	.	.	H	α-helix	trans	-97.1	-25.7	-171.8	-60.1	-81.4	-161.8	0	0	113.5	R376 G377 W380 P484 L485	R376-E488 HydrophobicContact CB-CB 4.02Å; R376-E488 HydrophobicContact CB-CG 4.35Å; R376-E488 WeakPolarHBondContact CD-OE1 3.31Å; R376-E488 WeakPolarHBondContact CD-OE2 3.3Å; R376-E488 IonicContact CZ-OE1 3.32Å; R376-E488 IonicContact NE-OE1 2.73Å; R376-E488 IonicContact NH1-OE1 3.9Å; R376-E488 PolarHBondContact NH1-OE1 2.82Å; G377-E488 VanDerWaalsContact CA-O 3.28Å; G377-E488 WeakPolarHBondContact CA-O 3.42Å; G377-E488 PolarHBondContact N-O 2.96Å; W380-E488 HydrophobicContact CE3-CB 4.08Å; W380-E488 HydrophobicContact CE3-CG 4.48Å; W380-E488 HydrophobicContact CH2-CB 4.22Å; W380-E488 HydrophobicContact CH2-CG 3.72Å; W380-E488 HydrophobicContact CZ2-CG 4.49Å; W380-E488 HydrophobicContact CZ3-CB 3.73Å; W380-E488 HydrophobicContact CZ3-CG 3.7Å; P484-E488 WeakPolarHBondContact O-CG 3.38Å; P484-E488 PolarHBondContact O-N 2.84Å; P484-E488 VanDerWaalsContact O-N 3.07Å; L485-E488 PolarHBondContact O-N 2.8Å
489	I	96.9	Very high	96.5	Very high	23 Å²	23	15.9 Å²	15.9	12%	0.118	8%	0.079	C	C	.	.	H	α-helix	trans	-100.7	-36.6	-179.8	-60.4	164.5	0	0	0	112	L485 D491 D494 C498	L485-I489 HydrophobicContact CB-CD1 4.21Å; L485-I489 HydrophobicContact CD2-CD1 4.46Å; L485-I489 VanDerWaalsContact O-CB 3.27Å; L485-I489 WeakPolarHBondContact O-CB 3.31Å; L485-I489 WeakPolarHBondContact O-CG1 3.46Å; L485-I489 PolarHBondContact O-N 3.34Å; I489-D491 PolarHBondContact O-N 3.42Å; I489-D494 HydrophobicContact CG2-CB 3.81Å; I489-C498 HydrophobicContact CD1-CB 3.6Å
490	Q	95.6	Very high	96.6	Very high	126 Å²	126	16.1 Å²	16.1	59%	0.589	8%	0.08	S	C	*	.			trans	62.8	-26.3	173.4	-54.1	-177.9	13.9	0	0	117.8	F446 L486 T487	F446-Q490 HydrophobicContact CE2-CG 4.15Å; F446-Q490 HydrophobicContact CZ-CG 4.45Å; L486-Q490 VanDerWaalsContact O-CA 3.3Å; L486-Q490 WeakPolarHBondContact O-CA 3.46Å; L486-Q490 PolarHBondContact O-N 2.9Å; L486-Q490 VanDerWaalsContact O-N 3.1Å; T487-Q490 WeakPolarHBondContact O-CG 3.32Å; T487-Q490 PolarHBondContact O-NE2 3.25Å
491	D	97.3	Very high	96.7	Very high	46 Å²	46	16.1 Å²	16.1	25%	0.246	8%	0.082	C	C	.	.			trans	-76.5	129.6	166.4	179.6	-73.6	0	0	0	110.7	R404 I489 S493 D494 T495	R404-D491 IonicContact CZ-OD2 3.58Å; R404-D491 IonicContact NE-OD2 2.68Å; R404-D491 IonicContact NH2-OD2 2.74Å; R404-D491 PolarHBondContact NH2-OD2 3.42Å; I489-D491 PolarHBondContact O-N 3.42Å; D491-S493 PolarHBondContact O-N 3.02Å; D491-S493 WeakPolarHBondContact OD1-CA 3.27Å; D491-S493 WeakPolarHBondContact OD1-CB 3.3Å; D491-S493 PolarHBondContact OD1-N 2.99Å; D491-D494 HydrophobicContact CB-CB 4.13Å; D491-D494 PolarHBondContact OD1-N 3.2Å; D491-T495 WeakPolarHBondContact O-CB 3.27Å; D491-T495 PolarHBondContact O-N 3.24Å; D491-T495 PolarHBondContact O-OG1 3.05Å
492	E	98.2	Very high	96.6	Very high	36 Å²	36	15.9 Å²	15.9	17%	0.168	8%	0.08	C	C	.	.	H	α-helix	trans	-63.9	-36.2	-175.6	179.6	174.3	164.4	0	0	113.8	Y407 I457 R460 I461 F496	Y407-E492 HydrophobicContact CE1-CG 3.75Å; Y407-E492 WeakPolarHBondContact OH-CG 3.23Å; Y407-E492 PolarHBondContact OH-OE1 3.01Å; I457-E492 HydrophobicContact CG2-CB 3.92Å; I457-E492 HydrophobicContact CG2-CG 3.82Å; R460-E492 WeakPolarHBondContact CB-OE1 3.29Å; R460-E492 IonicContact CZ-OE1 3.81Å; R460-E492 IonicContact CZ-OE2 3.51Å; R460-E492 IonicContact NE-OE1 2.8Å; R460-E492 PolarHBondContact NE-OE1 2.59Å; R460-E492 IonicContact NE-OE2 3.87Å; R460-E492 PolarHBondContact NE-OE2 3.29Å; R460-E492 IonicContact NH2-OE1 2.7Å; R460-E492 IonicContact NH2-OE2 3.76Å; R460-E492 PolarHBondContact NH2-OE2 3.17Å; I461-E492 HydrophobicContact CD1-CG 4.11Å; I461-E492 HydrophobicContact CG1-CG 3.81Å; E492-F496 WeakPolarHBondContact O-CB 3.28Å; E492-F496 PolarHBondContact O-N 3.18Å
493	S	98.3	Very high	96.3	Very high	3 Å²	3	17 Å²	17	2%	0.021	9%	0.085	C	C	.	.	H	α-helix	trans	-78.5	-47.6	179.5	166.7	0	0	0	0	111.3	R404 D491 T495 F496 W497	R404-S493 VanDerWaalsContact CA-OG 3.29Å; R404-S493 WeakPolarHBondContact CA-OG 3.23Å; D491-S493 PolarHBondContact O-N 3.02Å; D491-S493 WeakPolarHBondContact OD1-CA 3.27Å; D491-S493 WeakPolarHBondContact OD1-CB 3.3Å; D491-S493 PolarHBondContact OD1-N 2.99Å; S493-T495 VanDerWaalsContact C-N 3.29Å; S493-T495 PolarHBondContact O-N 3.36Å; S493-F496 WeakPolarHBondContact O-CB 3.43Å; S493-F496 PolarHBondContact O-N 2.95Å; S493-F496 VanDerWaalsContact O-N 3.15Å; S493-W497 PolarHBondContact O-N 2.6Å
494	D	98.2	Very high	95.8	Very high	7 Å²	7	22.4 Å²	22.4	4%	0.037	11%	0.111	C	C	.	.	H	α-helix	trans	-65	-37	178.4	-67.1	-23	0	0	0	110.3	Y386 R400 I489 D491 W497 C498	Y386-D494 HydrophobicContact CE1-CB 3.86Å; Y386-D494 VanDerWaalsContact CE1-OD1 3.3Å; Y386-D494 WeakPolarHBondContact CE1-OD1 3.36Å; Y386-D494 PolarHBondContact OH-OD1 2.67Å; R400-D494 WeakPolarHBondContact CD-OD1 3.39Å; R400-D494 WeakPolarHBondContact CD-OD2 3.3Å; R400-D494 IonicContact CZ-OD2 3.37Å; R400-D494 IonicContact NE-OD2 2.71Å; R400-D494 IonicContact NH1-OD2 2.65Å; R400-D494 PolarHBondContact NH1-OD2 2.92Å; I489-D494 HydrophobicContact CG2-CB 3.81Å; D491-D494 HydrophobicContact CB-CB 4.13Å; D491-D494 PolarHBondContact OD1-N 3.2Å; D494-W497 PolarHBondContact O-N 3.35Å; D494-C498 WeakPolarHBondContact O-CB 3.1Å; D494-C498 PolarHBondContact O-N 3.37Å; D494-C498 PolarHBondContact O-SG 3.17Å
495	T	98.6	Very high	94.9	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-61.3	-46.5	169.8	-59.1	0	0	0	0	111.5	I461 V482 L485 L486 D491 S493 W497 C498 F499	I461-T495 HydrophobicContact CD1-CG2 3.77Å; V482-T495 HydrophobicContact CG2-CG2 4.11Å; L485-T495 HydrophobicContact CB-CG2 3.95Å; L486-T495 HydrophobicContact CB-CG2 3.84Å; L486-T495 HydrophobicContact CD1-CG2 4.05Å; D491-T495 WeakPolarHBondContact O-CB 3.27Å; D491-T495 PolarHBondContact O-N 3.24Å; D491-T495 PolarHBondContact O-OG1 3.05Å; S493-T495 VanDerWaalsContact C-N 3.29Å; S493-T495 PolarHBondContact O-N 3.36Å; T495-W497 PolarHBondContact O-N 3.19Å; T495-C498 PolarHBondContact O-N 2.62Å; T495-F499 WeakPolarHBondContact O-CB 3.45Å; T495-F499 PolarHBondContact O-N 3.12Å
496	F	98.6	Very high	93.8	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-58.4	-45.8	177.4	168.6	-88.4	0	0	0	111.8	Y407 I410 I461 N464 Y465 F468 E492 S493 F499 V500	Y407-F496 HydrophobicContact CD2-CB 3.74Å; Y407-F496 AromaticContact CD2-CD1 3.55Å; Y407-F496 HydrophobicContact CD2-CD1 3.55Å; Y407-F496 AromaticContact CD2-CD2 3.78Å; Y407-F496 HydrophobicContact CD2-CD2 3.78Å; Y407-F496 HydrophobicContact CD2-CE1 4.09Å; Y407-F496 HydrophobicContact CD2-CE2 4.26Å; Y407-F496 AromaticContact CD2-CG 3.39Å; Y407-F496 HydrophobicContact CD2-CG 3.39Å; Y407-F496 HydrophobicContact CD2-CZ 4.42Å; Y407-F496 HydrophobicContact CE2-CB 3.61Å; Y407-F496 HydrophobicContact CE2-CD1 4.13Å; Y407-F496 AromaticContact CE2-CD2 3.51Å; Y407-F496 HydrophobicContact CE2-CD2 3.51Å; Y407-F496 HydrophobicContact CE2-CE2 4.19Å; Y407-F496 AromaticContact CE2-CG 3.47Å; Y407-F496 HydrophobicContact CE2-CG 3.47Å; Y407-F496 VanDerWaalsContact CE2-CG 3.47Å; I410-F496 HydrophobicContact CD1-CE1 3.95Å; I410-F496 HydrophobicContact CD1-CZ 3.81Å; I461-F496 HydrophobicContact CG1-CB 4.48Å; I461-F496 HydrophobicContact CG2-CB 4.1Å; I461-F496 HydrophobicContact CG2-CD2 4.14Å; N464-F496 HydrophobicContact CB-CD2 4.47Å; N464-F496 HydrophobicContact CB-CE2 4.19Å; Y465-F496 HydrophobicContact CD2-CE2 4.36Å; F468-F496 HydrophobicContact CB-CZ 3.95Å; F468-F496 HydrophobicContact CD1-CZ 4.39Å; F468-F496 HydrophobicContact CG-CZ 4.04Å; E492-F496 WeakPolarHBondContact O-CB 3.28Å; E492-F496 PolarHBondContact O-N 3.18Å; S493-F496 WeakPolarHBondContact O-CB 3.43Å; S493-F496 PolarHBondContact O-N 2.95Å; S493-F496 VanDerWaalsContact O-N 3.15Å; F496-F499 CarbonylContact O-C 3.55Å; F496-F499 WeakPolarHBondContact O-CB 3.1Å; F496-F499 PolarHBondContact O-N 2.87Å; F496-V500 HydrophobicContact CD1-CG2 4.2Å; F496-V500 HydrophobicContact CE1-CG2 3.69Å; F496-V500 HydrophobicContact CE2-CG2 4.37Å; F496-V500 HydrophobicContact CZ-CG2 3.79Å; F496-V500 WeakPolarHBondContact O-CG2 3.44Å; F496-V500 PolarHBondContact O-N 3.32Å
497	W	98.3	Very high	92.3	Very high	9 Å²	9	28.8 Å²	28.8	3%	0.034	15%	0.145	C	C	.	.	H	α-helix	trans	-74	-31.2	-178.8	-70.7	111.4	0	0	0	113.3	Y386 K403 H406 I410 F468 S493 D494 T495 F499 V500 G501	Y386-W497 HydrophobicContact CD1-CB 4.41Å; Y386-W497 HydrophobicContact CD2-CB 3.53Å; Y386-W497 HydrophobicContact CD2-CG 4.36Å; Y386-W497 HydrophobicContact CE1-CB 4.33Å; Y386-W497 HydrophobicContact CE2-CB 3.43Å; Y386-W497 VanDerWaalsContact CE2-CB 3.43Å; Y386-W497 AromaticContact CE2-CG 3.89Å; Y386-W497 HydrophobicContact CE2-CG 3.89Å; Y386-W497 HydrophobicContact CG-CB 4.04Å; K403-W497 HydrophobicContact CB-CG 4.4Å; K403-W497 HydrophobicContact CD-CD2 3.46Å; K403-W497 VanDerWaalsContact CD-CD2 3.46Å; K403-W497 HydrophobicContact CD-CE3 3.98Å; K403-W497 HydrophobicContact CD-CG 3.75Å; K403-W497 HydrophobicContact CD-CH2 4.37Å; K403-W497 HydrophobicContact CD-CZ2 3.89Å; K403-W497 HydrophobicContact CD-CZ3 4.41Å; K403-W497 PolarHBondContact O-NE1 3.04Å; H406-W497 HydrophobicContact CB-CZ2 4.09Å; H406-W497 AromaticContact CE1-CH2 3.74Å; H406-W497 AromaticContact CG-CZ2 3.88Å; H406-W497 AromaticContact ND1-CH2 3.39Å; H406-W497 WeakPolarHBondContact ND1-CH2 3.37Å; H406-W497 AromaticContact ND1-CZ2 3.47Å; H406-W497 WeakPolarHBondContact ND1-CZ2 3.44Å; I410-W497 HydrophobicContact CD1-CH2 4.25Å; I410-W497 HydrophobicContact CD1-CZ2 4.17Å; F468-W497 HydrophobicContact CD2-CH2 4.32Å; F468-W497 AromaticContact CE2-CH2 3.79Å; F468-W497 HydrophobicContact CE2-CH2 3.79Å; F468-W497 AromaticContact CE2-CZ3 3.95Å; F468-W497 HydrophobicContact CE2-CZ3 3.95Å; F468-W497 HydrophobicContact CZ-CH2 4.2Å; F468-W497 AromaticContact CZ-CZ3 3.87Å; F468-W497 HydrophobicContact CZ-CZ3 3.87Å; S493-W497 PolarHBondContact O-N 2.6Å; D494-W497 PolarHBondContact O-N 3.35Å; T495-W497 PolarHBondContact O-N 3.19Å; W497-F499 VanDerWaalsContact C-N 3.32Å; W497-V500 HydrophobicContact CE3-CB 4.1Å; W497-V500 HydrophobicContact CE3-CG1 4.24Å; W497-V500 HydrophobicContact CE3-CG2 4Å; W497-V500 HydrophobicContact CZ3-CG1 4.32Å; W497-V500 HydrophobicContact CZ3-CG2 4.23Å; W497-V500 PolarHBondContact O-N 3.29Å; W497-G501 PolarHBondContact O-N 3Å
498	C	97.9	Very high	90.8	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-65.8	-34.8	166.6	-68.4	0	0	0	0	111.8	L384 L485 I489 D494 T495 G501 L502	L384-C498 HydrophobicContact CD1-CB 3.85Å; L485-C498 HydrophobicContact CD1-CB 4.37Å; I489-C498 HydrophobicContact CD1-CB 3.6Å; D494-C498 WeakPolarHBondContact O-CB 3.1Å; D494-C498 PolarHBondContact O-N 3.37Å; D494-C498 PolarHBondContact O-SG 3.17Å; T495-C498 PolarHBondContact O-N 2.62Å; C498-G501 PolarHBondContact O-N 3.25Å; C498-L502 WeakPolarHBondContact O-CB 3.45Å; C498-L502 PolarHBondContact O-N 3.03Å
499	F	96.9	Very high	89.3	Confident	0 Å²	0	26.4 Å²	26.4	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-70.2	-36.6	174	-175.3	-110.2	0	0	0	112.3	L462 Y465 M478 L481 V482 L485 T495 F496 W497 L502 M503	L462-F499 HydrophobicContact CD2-CE1 4.12Å; L462-F499 HydrophobicContact CD2-CZ 4.12Å; Y465-F499 HydrophobicContact CD1-CE1 4.2Å; Y465-F499 AromaticContact CD2-CD1 3.67Å; Y465-F499 HydrophobicContact CD2-CD1 3.67Å; Y465-F499 AromaticContact CD2-CE1 3.8Å; Y465-F499 HydrophobicContact CD2-CE1 3.8Å; Y465-F499 HydrophobicContact CE2-CD1 4.25Å; Y465-F499 HydrophobicContact CE2-CE1 4.3Å; Y465-F499 HydrophobicContact CG-CD1 4.03Å; Y465-F499 AromaticContact CG-CE1 3.76Å; Y465-F499 HydrophobicContact CG-CE1 3.76Å; M478-F499 HydrophobicContact CB-CZ 4.08Å; M478-F499 HydrophobicContact CE-CE1 3.71Å; M478-F499 HydrophobicContact CE-CZ 3.6Å; M478-F499 HydrophobicContact CG-CZ 4.27Å; L481-F499 HydrophobicContact CB-CE2 4.11Å; V482-F499 HydrophobicContact CB-CD2 3.71Å; V482-F499 HydrophobicContact CB-CE2 3.86Å; V482-F499 HydrophobicContact CB-CG 4.22Å; V482-F499 HydrophobicContact CB-CZ 4.47Å; V482-F499 HydrophobicContact CG2-CB 4.24Å; V482-F499 HydrophobicContact CG2-CD2 3.98Å; V482-F499 HydrophobicContact CG2-CG 4.02Å; L485-F499 HydrophobicContact CD1-CB 3.84Å; L485-F499 HydrophobicContact CD1-CD2 4.07Å; L485-F499 HydrophobicContact CD1-CG 4.48Å; T495-F499 WeakPolarHBondContact O-CB 3.45Å; T495-F499 PolarHBondContact O-N 3.12Å; F496-F499 CarbonylContact O-C 3.55Å; F496-F499 WeakPolarHBondContact O-CB 3.1Å; F496-F499 PolarHBondContact O-N 2.87Å; W497-F499 VanDerWaalsContact C-N 3.32Å; F499-L502 HydrophobicContact CD2-CD2 3.99Å; F499-L502 HydrophobicContact CE2-CD2 4.31Å; F499-L502 WeakPolarHBondContact O-CB 3.32Å; F499-L502 PolarHBondContact O-N 3.43Å; F499-M503 HydrophobicContact CD1-CG 4.36Å; F499-M503 HydrophobicContact CD2-CG 4.4Å; F499-M503 HydrophobicContact CE1-CG 3.93Å; F499-M503 HydrophobicContact CE1-SD 4.46Å; F499-M503 HydrophobicContact CE2-CG 3.97Å; F499-M503 HydrophobicContact CE2-SD 3.8Å; F499-M503 HydrophobicContact CZ-CG 3.72Å; F499-M503 HydrophobicContact CZ-SD 3.68Å; F499-M503 VanDerWaalsContact O-CG 3.29Å; F499-M503 WeakPolarHBondContact O-CG 3.17Å; F499-M503 PolarHBondContact O-N 3.49Å
500	V	95.3	Very high	87.2	Confident	5 Å²	5	25.8 Å²	25.8	3%	0.03	13%	0.13	C	C	.	.	H	α-helix	trans	-59.4	-53.2	169	172.2	0	0	0	0	110.4	Y465 F468 F496 W497 L502 M503 E504	Y465-V500 HydrophobicContact CD2-CG2 3.88Å; Y465-V500 HydrophobicContact CE2-CB 4.39Å; Y465-V500 HydrophobicContact CE2-CG2 3.78Å; F468-V500 HydrophobicContact CD1-CG2 4.01Å; F468-V500 HydrophobicContact CE1-CG1 3.72Å; F468-V500 HydrophobicContact CE1-CG2 3.94Å; F468-V500 HydrophobicContact CZ-CG1 4.27Å; F496-V500 HydrophobicContact CD1-CG2 4.2Å; F496-V500 HydrophobicContact CE1-CG2 3.69Å; F496-V500 HydrophobicContact CE2-CG2 4.37Å; F496-V500 HydrophobicContact CZ-CG2 3.79Å; F496-V500 WeakPolarHBondContact O-CG2 3.44Å; F496-V500 PolarHBondContact O-N 3.32Å; W497-V500 HydrophobicContact CE3-CB 4.1Å; W497-V500 HydrophobicContact CE3-CG1 4.24Å; W497-V500 HydrophobicContact CE3-CG2 4Å; W497-V500 HydrophobicContact CZ3-CG1 4.32Å; W497-V500 HydrophobicContact CZ3-CG2 4.23Å; W497-V500 PolarHBondContact O-N 3.29Å; V500-L502 VanDerWaalsContact C-N 3.28Å; V500-L502 PolarHBondContact O-N 2.68Å; V500-M503 PolarHBondContact O-N 3.42Å; V500-E504 VanDerWaalsContact CG1-CD 3.49Å; V500-E504 HydrophobicContact CG1-CG 4.35Å; V500-E504 WeakPolarHBondContact CG1-OE1 3.33Å; V500-E504 WeakPolarHBondContact O-CB 3.45Å; V500-E504 WeakPolarHBondContact O-CG 3.36Å; V500-E504 PolarHBondContact O-N 3.39Å
501	G	93.4	Very high	85.1	Confident	5 Å²	5	20.9 Å²	20.9	5%	0.052	11%	0.109	C	C	.	.	H	α-helix	trans	-59.8	-37.1	178.2	0	0	0	0	0	113.5	L384 W497 C498 N505	L384-G501 VanDerWaalsContact O-CA 3.26Å; L384-G501 WeakPolarHBondContact O-CA 3.15Å; W497-G501 PolarHBondContact O-N 3Å; C498-G501 PolarHBondContact O-N 3.25Å; G501-N505 WeakPolarHBondContact O-CB 3.48Å; G501-N505 PolarHBondContact O-N 2.96Å; G501-N505 PolarHBondContact O-ND2 2.87Å
502	L	92	Very high	82.9	Confident	0 Å²	0	22.5 Å²	22.5	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-58.7	-55	172	-178.5	73.9	0	0	0	111.3	L384 L481 L485 C498 F499 V500 E504 T506 I509 W577	L384-L502 HydrophobicContact CD2-CB 4.09Å; L384-L502 HydrophobicContact CD2-CD1 3.6Å; L384-L502 HydrophobicContact CD2-CG 4.49Å; L481-L502 HydrophobicContact CB-CD2 4.28Å; L485-L502 HydrophobicContact CD1-CB 4.39Å; L485-L502 HydrophobicContact CD1-CD2 3.91Å; L485-L502 HydrophobicContact CG-CD2 4.48Å; C498-L502 WeakPolarHBondContact O-CB 3.45Å; C498-L502 PolarHBondContact O-N 3.03Å; F499-L502 HydrophobicContact CD2-CD2 3.99Å; F499-L502 HydrophobicContact CE2-CD2 4.31Å; F499-L502 WeakPolarHBondContact O-CB 3.32Å; F499-L502 PolarHBondContact O-N 3.43Å; V500-L502 VanDerWaalsContact C-N 3.28Å; V500-L502 PolarHBondContact O-N 2.68Å; L502-E504 VanDerWaalsContact C-N 3.3Å; L502-E504 PolarHBondContact O-N 3.47Å; L502-T506 WeakPolarHBondContact O-CB 3.32Å; L502-T506 PolarHBondContact O-N 2.89Å; L502-T506 PolarHBondContact O-OG1 2.92Å; L502-I509 HydrophobicContact CD1-CD1 3.37Å; L502-I509 HydrophobicContact CD2-CD1 3.79Å; L502-I509 HydrophobicContact CG-CD1 3.35Å; L502-W577 HydrophobicContact CD1-CH2 4.36Å; L502-W577 HydrophobicContact CD1-CZ2 3.34Å
503	M	88.3	Confident	81.2	Confident	22 Å²	22	27.2 Å²	27.2	11%	0.108	14%	0.139	C	C	.	.	H	α-helix	trans	-68.5	-24	-177.7	-64.9	-57.1	-58.3	0	0	113.7	Y465 M472 M478 L481 F499 V500 I509	Y465-M503 HydrophobicContact CE2-CB 4.43Å; Y465-M503 HydrophobicContact CE2-CG 4.3Å; M472-M503 HydrophobicContact CE-CB 4.12Å; M472-M503 HydrophobicContact CE-CE 3.45Å; M472-M503 VanDerWaalsContact CE-CE 3.45Å; M472-M503 HydrophobicContact CE-CG 4.29Å; M472-M503 HydrophobicContact SD-CE 3.89Å; M478-M503 HydrophobicContact CE-CE 4.14Å; M478-M503 HydrophobicContact CE-SD 4.35Å; M478-M503 HydrophobicContact CG-CE 4.17Å; M478-M503 HydrophobicContact CG-SD 4.38Å; M478-M503 HydrophobicContact SD-CE 4.19Å; L481-M503 HydrophobicContact CD1-SD 4.24Å; F499-M503 HydrophobicContact CD1-CG 4.36Å; F499-M503 HydrophobicContact CD2-CG 4.4Å; F499-M503 HydrophobicContact CE1-CG 3.93Å; F499-M503 HydrophobicContact CE1-SD 4.46Å; F499-M503 HydrophobicContact CE2-CG 3.97Å; F499-M503 HydrophobicContact CE2-SD 3.8Å; F499-M503 HydrophobicContact CZ-CG 3.72Å; F499-M503 HydrophobicContact CZ-SD 3.68Å; F499-M503 VanDerWaalsContact O-CG 3.29Å; F499-M503 WeakPolarHBondContact O-CG 3.17Å; F499-M503 PolarHBondContact O-N 3.49Å; V500-M503 PolarHBondContact O-N 3.42Å; M503-I509 HydrophobicContact CE-CG2 3.54Å; M503-I509 HydrophobicContact SD-CG2 3.43Å; M503-I509 WeakPolarHBondContact SD-CG2 3.26Å
504	E	85.7	Confident	79.7	Confident	114 Å²	114	33.9 Å²	33.9	53%	0.533	17%	0.174	S	C	.	.	H	α-helix	trans	-93.4	-36.3	-176.5	-71.8	176.4	176.8	0	0	113.8	V500 L502	V500-E504 VanDerWaalsContact CG1-CD 3.49Å; V500-E504 HydrophobicContact CG1-CG 4.35Å; V500-E504 WeakPolarHBondContact CG1-OE1 3.33Å; V500-E504 WeakPolarHBondContact O-CB 3.45Å; V500-E504 WeakPolarHBondContact O-CG 3.36Å; V500-E504 PolarHBondContact O-N 3.39Å; L502-E504 VanDerWaalsContact C-N 3.3Å; L502-E504 PolarHBondContact O-N 3.47Å
505	N	76.1	Confident	78.8	Confident	68 Å²	68	40.9 Å²	40.9	36%	0.364	21%	0.206	S	C	.	.	H	α-helix	trans	-105.3	-18	-172	-56.9	-82.5	0	0	0	113.8	G501 I507	G501-N505 WeakPolarHBondContact O-CB 3.48Å; G501-N505 PolarHBondContact O-N 2.96Å; G501-N505 PolarHBondContact O-ND2 2.87Å; N505-I507 PolarHBondContact O-N 3.45Å
506	T	73.3	Confident	78	Confident	8 Å²	8	43.3 Å²	43.3	5%	0.049	22%	0.219	C	C	.	.			trans	-87	96.4	-175.2	-51.1	0	0	0	0	110.7	L502 F508 I509	L502-T506 WeakPolarHBondContact O-CB 3.32Å; L502-T506 PolarHBondContact O-N 2.89Å; L502-T506 PolarHBondContact O-OG1 2.92Å; T506-F508 HydrophobicContact CG2-CD1 3.41Å; T506-F508 VanDerWaalsContact CG2-CD1 3.41Å; T506-F508 HydrophobicContact CG2-CD2 4.27Å; T506-F508 HydrophobicContact CG2-CE1 3.12Å; T506-F508 HydrophobicContact CG2-CE2 4.05Å; T506-F508 HydrophobicContact CG2-CG 3.97Å; T506-F508 HydrophobicContact CG2-CZ 3.49Å; T506-F508 VanDerWaalsContact CG2-CZ 3.49Å; T506-F508 PolarHBondContact O-N 3.25Å; T506-I509 HydrophobicContact CG2-CB 4.24Å; T506-I509 HydrophobicContact CG2-CD1 3.72Å; T506-I509 HydrophobicContact CG2-CG1 3.78Å; T506-I509 WeakPolarHBondContact O-CB 3.36Å; T506-I509 PolarHBondContact O-N 2.81Å
507	I	65.9	Low	77.3	Confident	64 Å²	64	44.5 Å²	44.5	33%	0.328	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.1	-29.6	-173.2	-56	-174.9	0	0	0	113.9	N505 D583 Y584	N505-I507 PolarHBondContact O-N 3.45Å; I507-D583 HydrophobicContact CD1-CB 3.54Å; I507-D583 HydrophobicContact CG1-CB 4.5Å; I507-Y584 HydrophobicContact CD1-CE1 4.39Å; I507-Y584 HydrophobicContact CD1-CE2 4.23Å; I507-Y584 HydrophobicContact CG2-CD1 4.26Å; I507-Y584 HydrophobicContact CG2-CE1 3.65Å
508	F	65.9	Low	76.8	Confident	5 Å²	5	48.2 Å²	48.2	2%	0.022	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83	-15.8	178.4	65.5	-87.8	0	0	0	115.2	T506 S510 I556 C559 C576 H586	T506-F508 HydrophobicContact CG2-CD1 3.41Å; T506-F508 VanDerWaalsContact CG2-CD1 3.41Å; T506-F508 HydrophobicContact CG2-CD2 4.27Å; T506-F508 HydrophobicContact CG2-CE1 3.12Å; T506-F508 HydrophobicContact CG2-CE2 4.05Å; T506-F508 HydrophobicContact CG2-CG 3.97Å; T506-F508 HydrophobicContact CG2-CZ 3.49Å; T506-F508 VanDerWaalsContact CG2-CZ 3.49Å; T506-F508 PolarHBondContact O-N 3.25Å; F508-S510 PolarHBondContact O-N 3.3Å; F508-S510 PolarHBondContact O-OG 2.99Å; F508-S510 VanDerWaalsContact O-OG 3.1Å; F508-I556 HydrophobicContact CB-CG2 4.47Å; F508-C559 HydrophobicContact CD2-CB 4.2Å; F508-C559 VanDerWaalsContact CD2-SG 3.56Å; F508-C559 HydrophobicContact CE2-CB 3.74Å; F508-C559 WeakPolarHBondContact CE2-SG 3.2Å; F508-C576 HydrophobicContact CD1-CB 4.31Å; F508-C576 HydrophobicContact CE1-CB 3.37Å; F508-C576 HydrophobicContact CZ-CB 3.83Å; F508-H586 HydrophobicContact CB-CB 3.95Å; F508-H586 WeakPolarHBondContact CB-CD2 3.36Å; F508-H586 VanDerWaalsContact CB-CG 3.4Å; F508-H586 WeakPolarHBondContact CB-NE2 3.14Å; F508-H586 HydrophobicContact CD1-CB 4.06Å; F508-H586 AromaticContact CD1-ND1 3.93Å; F508-H586 HydrophobicContact CD2-CB 4.45Å; F508-H586 HydrophobicContact CG-CB 3.94Å; F508-H586 AromaticContact CG-CG 3.88Å
509	I	63.9	Low	76.4	Confident	13 Å²	13	53 Å²	53	7%	0.067	26%	0.261	C	S	.	.	S	Bend	trans	-76.6	75.1	170	-70.3	175.3	0	0	0	107.5	L481 L502 M503 T506 S511 C559	L481-I509 HydrophobicContact CD1-CD1 4.35Å; L481-I509 HydrophobicContact CD1-CG1 4.4Å; L481-I509 HydrophobicContact CD1-CG2 4.03Å; L502-I509 HydrophobicContact CD1-CD1 3.37Å; L502-I509 HydrophobicContact CD2-CD1 3.79Å; L502-I509 HydrophobicContact CG-CD1 3.35Å; M503-I509 HydrophobicContact CE-CG2 3.54Å; M503-I509 HydrophobicContact SD-CG2 3.43Å; M503-I509 WeakPolarHBondContact SD-CG2 3.26Å; T506-I509 HydrophobicContact CG2-CB 4.24Å; T506-I509 HydrophobicContact CG2-CD1 3.72Å; T506-I509 HydrophobicContact CG2-CG1 3.78Å; T506-I509 WeakPolarHBondContact O-CB 3.36Å; T506-I509 PolarHBondContact O-N 2.81Å; I509-S511 PolarHBondContact O-N 3.32Å; I509-C559 WeakPolarHBondContact CG1-SG 3.3Å
510	S	52.8	Low	76.1	Confident	11 Å²	11	53.2 Å²	53.2	8%	0.077	26%	0.262	C	S	.	.			trans	-70.3	102.8	-178.7	-50	0	0	0	0	107	F508 Q520	F508-S510 PolarHBondContact O-N 3.3Å; F508-S510 PolarHBondContact O-OG 2.99Å; F508-S510 VanDerWaalsContact O-OG 3.1Å; S510-Q520 PolarHBondContact OG-NE2 3.35Å
511	S	52	Low	75.9	Confident	22 Å²	22	53.1 Å²	53.1	15%	0.154	26%	0.261	C	S	.	.			trans	-43.7	139.2	148.6	-169.1	0	0	0	0	107.7	M472 I509 R513	M472-S511 VanDerWaalsContact SD-CB 3.54Å; M472-S511 PolarHBondContact SD-OG 3.43Å; I509-S511 PolarHBondContact O-N 3.32Å; S511-R513 PolarHBondContact O-N 3.21Å
512	P	51.5	Low	75.9	Confident	81 Å²	81	56 Å²	56	53%	0.526	27%	0.274	S	S	.	.	S	Bend	trans	-74.5	57	-179.5	31.5	-35.9	0	0	0	111.7	C475	C475-P512 HydrophobicContact CB-CG 4.18Å; C475-P512 VanDerWaalsContact SG-CD 3.54Å; C475-P512 WeakPolarHBondContact SG-CG 3.38Å
513	R	62.7	Low	76.1	Confident	135 Å²	135	56.4 Å²	56.4	51%	0.509	28%	0.276	S	S	.	.			trans	-95.5	111.1	162.6	-61.9	179.6	179.4	-160.7	-3.6	105.4	S511 E515 D516	S511-R513 PolarHBondContact O-N 3.21Å; R513-E515 PolarHBondContact O-N 2.95Å; R513-D516 PolarHBondContact O-N 3.16Å
514	D	65.8	Low	76.4	Confident	142 Å²	142	55.4 Å²	55.4	76%	0.759	27%	0.271	S	S	*	.	H	α-helix	trans	-54.9	-31.1	-169.8	-58	-47.5	0	0	0	112.8	D516 E518	D514-D516 PolarHBondContact O-N 2.87Å; D514-E518 VanDerWaalsContact O-CB 3.23Å; D514-E518 WeakPolarHBondContact O-CB 3.45Å; D514-E518 PolarHBondContact O-N 2.97Å
515	E	79.9	Confident	76.9	Confident	154 Å²	154	51.9 Å²	51.9	72%	0.72	25%	0.253	S	S	*	.	H	α-helix	trans	-58.8	-39.6	177.5	-60.2	-176.1	-173.8	0	0	114.4	R513 R519	R513-E515 PolarHBondContact O-N 2.95Å; E515-R519 WeakPolarHBondContact O-CB 3.3Å; E515-R519 PolarHBondContact O-N 2.83Å
516	D	80.9	Confident	77.8	Confident	51 Å²	51	50.2 Å²	50.2	27%	0.273	24%	0.243	S	C	.	.	H	α-helix	trans	-81.5	-33.5	-175	-67.9	-45.9	0	0	0	111.7	R513 D514 R519 Q520	R513-D516 PolarHBondContact O-N 3.16Å; D514-D516 PolarHBondContact O-N 2.87Å; D516-R519 IonicContact OD1-CZ 2.85Å; D516-R519 IonicContact OD1-NH1 3.68Å; D516-R519 PolarHBondContact OD1-NH1 3.06Å; D516-R519 IonicContact OD1-NH2 3.57Å; D516-R519 PolarHBondContact OD1-NH2 2.85Å; D516-Q520 WeakPolarHBondContact O-CG 3.07Å; D516-Q520 PolarHBondContact O-N 2.82Å; D516-Q520 PolarHBondContact O-NE2 3.39Å
517	M	85.3	Confident	79	Confident	26 Å²	26	49.9 Å²	49.9	13%	0.128	24%	0.24	C	C	.	.	H	α-helix	trans	-65.8	-50.1	168.2	-178.9	60	65.5	0	0	110.1	R519 Q520 L521 I556 L557	M517-R519 VanDerWaalsContact C-N 3.31Å; M517-R519 PolarHBondContact O-N 2.68Å; M517-Q520 WeakPolarHBondContact O-CA 3.08Å; M517-Q520 WeakPolarHBondContact O-CB 3.43Å; M517-Q520 PolarHBondContact O-N 3.46Å; M517-L521 HydrophobicContact CG-CD1 3.97Å; M517-L521 HydrophobicContact CG-CG 4.27Å; M517-L521 WeakPolarHBondContact O-CG 3.42Å; M517-L521 PolarHBondContact O-N 3.32Å; M517-L521 HydrophobicContact SD-CD1 4.38Å; M517-L521 HydrophobicContact SD-CD2 4.35Å; M517-L521 HydrophobicContact SD-CG 4.2Å; M517-I556 HydrophobicContact CE-CB 4.09Å; M517-I556 HydrophobicContact CE-CG2 3.83Å; M517-I556 HydrophobicContact SD-CB 4.27Å; M517-I556 HydrophobicContact SD-CD1 4.16Å; M517-I556 HydrophobicContact SD-CG2 4.14Å; M517-L557 HydrophobicContact CE-CB 4.28Å
518	E	87.7	Confident	80.4	Confident	87 Å²	87	46.8 Å²	46.8	41%	0.407	23%	0.225	S	C	.	.	H	α-helix	trans	-64.2	-33.8	-177.1	-177.1	53.2	-156.2	0	0	112.5	D514 Q520 L521 M522 R525	D514-E518 VanDerWaalsContact O-CB 3.23Å; D514-E518 WeakPolarHBondContact O-CB 3.45Å; D514-E518 PolarHBondContact O-N 2.97Å; E518-Q520 VanDerWaalsContact C-N 3.34Å; E518-Q520 PolarHBondContact O-N 2.94Å; E518-L521 PolarHBondContact O-N 3.44Å; E518-M522 WeakPolarHBondContact O-CB 3.31Å; E518-M522 PolarHBondContact O-N 3.17Å; E518-R525 IonicContact OE1-CZ 2.75Å; E518-R525 IonicContact OE1-NH1 3.71Å; E518-R525 PolarHBondContact OE1-NH1 3.14Å; E518-R525 IonicContact OE1-NH2 3.3Å; E518-R525 PolarHBondContact OE1-NH2 3.18Å; E518-R525 IonicContact OE2-NH1 3.66Å
519	R	88.4	Confident	81.9	Confident	101 Å²	101	51.3 Å²	51.3	38%	0.381	24%	0.242	S	C	.	.	H	α-helix	trans	-61.4	-41.2	170.9	-162.3	-175.4	-50.3	112.8	13.6	112.1	E515 D516 M517 M522 Y523	E515-R519 WeakPolarHBondContact O-CB 3.3Å; E515-R519 PolarHBondContact O-N 2.83Å; D516-R519 IonicContact OD1-CZ 2.85Å; D516-R519 IonicContact OD1-NH1 3.68Å; D516-R519 PolarHBondContact OD1-NH1 3.06Å; D516-R519 IonicContact OD1-NH2 3.57Å; D516-R519 PolarHBondContact OD1-NH2 2.85Å; M517-R519 VanDerWaalsContact C-N 3.31Å; M517-R519 PolarHBondContact O-N 2.68Å; R519-M522 WeakPolarHBondContact O-CB 3.13Å; R519-M522 PolarHBondContact O-N 3.26Å; R519-Y523 HydrophobicContact CG-CD2 4.47Å; R519-Y523 HydrophobicContact CG-CE2 3.79Å; R519-Y523 VanDerWaalsContact O-CD2 3.22Å; R519-Y523 WeakPolarHBondContact O-CD2 3.37Å; R519-Y523 PolarHBondContact O-N 2.67Å
520	Q	90.6	Very high	83.3	Confident	4 Å²	4	53.5 Å²	53.5	2%	0.019	25%	0.253	C	S	.	.	H	α-helix	trans	-70.4	-38.6	176.7	-72	172.2	84.6	0	0	112.7	S510 D516 M517 E518 M522 Y523 L524 H586 L587	S510-Q520 PolarHBondContact OG-NE2 3.35Å; D516-Q520 WeakPolarHBondContact O-CG 3.07Å; D516-Q520 PolarHBondContact O-N 2.82Å; D516-Q520 PolarHBondContact O-NE2 3.39Å; M517-Q520 WeakPolarHBondContact O-CA 3.08Å; M517-Q520 WeakPolarHBondContact O-CB 3.43Å; M517-Q520 PolarHBondContact O-N 3.46Å; E518-Q520 VanDerWaalsContact C-N 3.34Å; E518-Q520 PolarHBondContact O-N 2.94Å; Q520-M522 VanDerWaalsContact C-N 3.32Å; Q520-Y523 PolarHBondContact O-N 3.03Å; Q520-L524 WeakPolarHBondContact O-CB 3.43Å; Q520-L524 PolarHBondContact O-N 2.97Å; Q520-H586 PolarHBondContact OE1-NE2 2.82Å; Q520-L587 HydrophobicContact CB-CD2 4.25Å
521	L	92.6	Very high	85.3	Confident	3 Å²	3	54.9 Å²	54.9	2%	0.016	26%	0.259	C	S	.	.	H	α-helix	trans	-66	-35.3	173	-61.5	177.1	0	0	0	111.3	M517 E518 L524 R525 L549 H553 I556	M517-L521 HydrophobicContact CG-CD1 3.97Å; M517-L521 HydrophobicContact CG-CG 4.27Å; M517-L521 WeakPolarHBondContact O-CG 3.42Å; M517-L521 PolarHBondContact O-N 3.32Å; M517-L521 HydrophobicContact SD-CD1 4.38Å; M517-L521 HydrophobicContact SD-CD2 4.35Å; M517-L521 HydrophobicContact SD-CG 4.2Å; E518-L521 PolarHBondContact O-N 3.44Å; L521-L524 PolarHBondContact O-N 3.46Å; L521-R525 WeakPolarHBondContact O-CB 3.19Å; L521-R525 WeakPolarHBondContact O-CG 3.37Å; L521-R525 PolarHBondContact O-N 3.24Å; L521-L549 HydrophobicContact CD2-CB 4.19Å; L521-L549 HydrophobicContact CD2-CD1 4.29Å; L521-H553 VanDerWaalsContact CD1-NE2 3.26Å; L521-H553 WeakPolarHBondContact CD1-NE2 3.12Å; L521-I556 HydrophobicContact CD2-CD1 4.11Å
522	M	93.3	Very high	87.3	Confident	65 Å²	65	55.5 Å²	55.5	32%	0.32	26%	0.261	S	S	.	.	H	α-helix	trans	-62.9	-49.1	171.6	-172.5	-137.2	66.9	0	0	111.9	E518 R519 Q520 L524 R525 E526 S647	E518-M522 WeakPolarHBondContact O-CB 3.31Å; E518-M522 PolarHBondContact O-N 3.17Å; R519-M522 WeakPolarHBondContact O-CB 3.13Å; R519-M522 PolarHBondContact O-N 3.26Å; Q520-M522 VanDerWaalsContact C-N 3.32Å; M522-L524 VanDerWaalsContact C-N 3.28Å; M522-L524 PolarHBondContact O-N 2.98Å; M522-R525 VanDerWaalsContact CA-NH2 3.34Å; M522-R525 PolarHBondContact O-N 2.88Å; M522-E526 PolarHBondContact O-N 3.14Å; M522-E526 VanDerWaalsContact O-N 3.09Å; M522-S647 WeakPolarHBondContact CE-O 3.38Å
523	Y	94.6	Very high	89.4	Confident	9 Å²	9	55.5 Å²	55.5	4%	0.035	26%	0.26	C	S	.	.	H	α-helix	trans	-58.4	-41.3	173.5	-63.8	-44.4	0	0	0	111.4	R519 Q520 E526 L527 Y584 L587 S647 L648 D650 L651	R519-Y523 HydrophobicContact CG-CD2 4.47Å; R519-Y523 HydrophobicContact CG-CE2 3.79Å; R519-Y523 VanDerWaalsContact O-CD2 3.22Å; R519-Y523 WeakPolarHBondContact O-CD2 3.37Å; R519-Y523 PolarHBondContact O-N 2.67Å; Q520-Y523 PolarHBondContact O-N 3.03Å; Y523-E526 PolarHBondContact O-N 3.48Å; Y523-L527 WeakPolarHBondContact O-CB 3.39Å; Y523-L527 WeakPolarHBondContact O-CG 3.33Å; Y523-L527 PolarHBondContact O-N 3.14Å; Y523-Y584 HydrophobicContact CD2-CD1 4.06Å; Y523-Y584 AromaticContact CD2-CE1 3.82Å; Y523-Y584 HydrophobicContact CD2-CE1 3.82Å; Y523-Y584 HydrophobicContact CE2-CD1 4.15Å; Y523-Y584 AromaticContact CE2-CE1 3.47Å; Y523-Y584 HydrophobicContact CE2-CE1 3.47Å; Y523-Y584 VanDerWaalsContact CE2-CE1 3.47Å; Y523-Y584 AromaticContact CE2-CZ 3.82Å; Y523-L587 VanDerWaalsContact CB-CD1 3.46Å; Y523-L587 HydrophobicContact CD2-CD1 4.14Å; Y523-L587 HydrophobicContact CG-CD1 4.24Å; Y523-S647 WeakPolarHBondContact CD1-O 3.48Å; Y523-S647 WeakPolarHBondContact CE1-O 3.14Å; Y523-L648 HydrophobicContact CD1-CD2 4.04Å; Y523-D650 HydrophobicContact CE1-CB 4.48Å; Y523-D650 PolarHBondContact OH-OD2 2.82Å; Y523-L651 HydrophobicContact CD1-CD1 3.6Å; Y523-L651 HydrophobicContact CD2-CD1 4.07Å; Y523-L651 HydrophobicContact CE1-CD1 3.92Å; Y523-L651 HydrophobicContact CE2-CD1 4.37Å; Y523-L651 HydrophobicContact CG-CD1 3.7Å
524	L	96.1	Very high	91	Very high	0 Å²	0	56.7 Å²	56.7	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-66.9	-42.3	178.9	-176.8	55.4	0	0	0	112.5	Q520 L521 M522 E526 L527 L528 L549 C552 L587 C590 V591	Q520-L524 WeakPolarHBondContact O-CB 3.43Å; Q520-L524 PolarHBondContact O-N 2.97Å; L521-L524 PolarHBondContact O-N 3.46Å; M522-L524 VanDerWaalsContact C-N 3.28Å; M522-L524 PolarHBondContact O-N 2.98Å; L524-E526 VanDerWaalsContact C-N 3.33Å; L524-E526 PolarHBondContact O-N 2.83Å; L524-L527 PolarHBondContact O-N 3.01Å; L524-L528 HydrophobicContact CD1-CD1 4.46Å; L524-L528 HydrophobicContact CD1-CG 4.3Å; L524-L528 HydrophobicContact CG-CD1 4.28Å; L524-L528 WeakPolarHBondContact O-CB 3.46Å; L524-L528 VanDerWaalsContact O-CG 3.25Å; L524-L528 WeakPolarHBondContact O-CG 3.36Å; L524-L528 PolarHBondContact O-N 2.86Å; L524-L549 HydrophobicContact CB-CD1 4.24Å; L524-L549 HydrophobicContact CD2-CD1 3.93Å; L524-L549 HydrophobicContact CG-CD1 3.97Å; L524-C552 VanDerWaalsContact CD2-SG 3.59Å; L524-L587 HydrophobicContact CB-CD2 4.46Å; L524-C590 HydrophobicContact CD1-CB 3.89Å; L524-C590 HydrophobicContact CD2-CB 3.94Å; L524-V591 HydrophobicContact CD1-CG2 3.6Å
525	R	96.3	Very high	92.5	Very high	40 Å²	40	50.3 Å²	50.3	15%	0.151	23%	0.23	C	C	.	.	H	α-helix	trans	-58.1	-45.2	173.3	-75.4	-177.2	-64.7	-107.6	2.3	111.3	E518 L521 M522 L528 R529 H536 L547 L549	E518-R525 IonicContact OE1-CZ 2.75Å; E518-R525 IonicContact OE1-NH1 3.71Å; E518-R525 PolarHBondContact OE1-NH1 3.14Å; E518-R525 IonicContact OE1-NH2 3.3Å; E518-R525 PolarHBondContact OE1-NH2 3.18Å; E518-R525 IonicContact OE2-NH1 3.66Å; L521-R525 WeakPolarHBondContact O-CB 3.19Å; L521-R525 WeakPolarHBondContact O-CG 3.37Å; L521-R525 PolarHBondContact O-N 3.24Å; M522-R525 VanDerWaalsContact CA-NH2 3.34Å; M522-R525 PolarHBondContact O-N 2.88Å; R525-L528 PolarHBondContact O-N 3.37Å; R525-R529 PolarHBondContact O-N 3.49Å; R525-H536 PolarHBondContact O-CD2 2.58Å; R525-L547 WeakPolarHBondContact CD-O 3.24Å; R525-L547 PolarHBondContact NH1-O 2.7Å; R525-L549 HydrophobicContact CG-CD1 3.73Å; R525-L549 HydrophobicContact CG-CG 4.23Å
526	E	95.1	Very high	93.3	Very high	34 Å²	34	44.4 Å²	44.4	16%	0.159	20%	0.203	C	C	.	.	H	α-helix	trans	-67.4	-40.2	178.3	-79	-70.5	94.3	0	0	112.9	M522 Y523 L524 R529 L530 S647 L648	M522-E526 PolarHBondContact O-N 3.14Å; M522-E526 VanDerWaalsContact O-N 3.09Å; Y523-E526 PolarHBondContact O-N 3.48Å; L524-E526 VanDerWaalsContact C-N 3.33Å; L524-E526 PolarHBondContact O-N 2.83Å; E526-R529 WeakPolarHBondContact O-CB 3.03Å; E526-R529 PolarHBondContact O-N 3.09Å; E526-R529 IonicContact OE1-CZ 2.62Å; E526-R529 IonicContact OE1-NE 3.01Å; E526-R529 PolarHBondContact OE1-NE 3.16Å; E526-R529 IonicContact OE1-NH2 3.39Å; E526-R529 PolarHBondContact OE1-NH2 3.39Å; E526-R529 IonicContact OE2-CZ 3.44Å; E526-R529 IonicContact OE2-NE 3.14Å; E526-R529 IonicContact OE2-NH2 2.85Å; E526-R529 PolarHBondContact OE2-NH2 3.17Å; E526-L530 WeakPolarHBondContact O-CG 3.22Å; E526-L530 PolarHBondContact O-N 3.27Å; E526-S647 PolarHBondContact OE2-OG 3.17Å; E526-L648 HydrophobicContact CB-CD1 4.09Å; E526-L648 HydrophobicContact CB-CD2 3.64Å; E526-L648 HydrophobicContact CB-CG 3.88Å
527	L	96.9	Very high	94.1	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-60.3	-44	170.8	-75.8	171.4	0	0	0	111.6	Y523 L524 R529 L530 M531 L587 F588 V591 F638 L648 L651	Y523-L527 WeakPolarHBondContact O-CB 3.39Å; Y523-L527 WeakPolarHBondContact O-CG 3.33Å; Y523-L527 PolarHBondContact O-N 3.14Å; L524-L527 PolarHBondContact O-N 3.01Å; L527-R529 VanDerWaalsContact C-N 3.33Å; L527-R529 PolarHBondContact O-N 3.42Å; L527-L530 PolarHBondContact O-N 3.16Å; L527-M531 HydrophobicContact CD2-SD 4.35Å; L527-M531 WeakPolarHBondContact O-CB 3.26Å; L527-M531 WeakPolarHBondContact O-CG 3.28Å; L527-M531 PolarHBondContact O-N 3.31Å; L527-L587 HydrophobicContact CD1-CB 3.76Å; L527-L587 HydrophobicContact CD1-CD1 4.35Å; L527-F588 HydrophobicContact CD1-CZ 4.39Å; L527-F588 HydrophobicContact CD2-CE1 3.96Å; L527-F588 HydrophobicContact CD2-CZ 3.94Å; L527-V591 HydrophobicContact CB-CG2 4.02Å; L527-V591 HydrophobicContact CD1-CG2 4.42Å; L527-F638 HydrophobicContact CD2-CD2 4.01Å; L527-F638 HydrophobicContact CD2-CE2 4.09Å; L527-L648 HydrophobicContact CD2-CD1 3.99Å; L527-L648 HydrophobicContact CG-CD1 4.25Å; L527-L648 HydrophobicContact CG-CD2 4.41Å; L527-L651 HydrophobicContact CD1-CD2 3.84Å; L527-L651 HydrophobicContact CD2-CD2 4Å; L527-L651 HydrophobicContact CG-CD2 4.07Å
528	L	97	Very high	94.6	Very high	0 Å²	0	46 Å²	46	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-63.4	-37.6	175	-69.8	173.3	0	0	0	111.8	L524 R525 L532 F535 H536 L539 L549 V591 I594	L524-L528 HydrophobicContact CD1-CD1 4.46Å; L524-L528 HydrophobicContact CD1-CG 4.3Å; L524-L528 HydrophobicContact CG-CD1 4.28Å; L524-L528 WeakPolarHBondContact O-CB 3.46Å; L524-L528 VanDerWaalsContact O-CG 3.25Å; L524-L528 WeakPolarHBondContact O-CG 3.36Å; L524-L528 PolarHBondContact O-N 2.86Å; R525-L528 PolarHBondContact O-N 3.37Å; L528-L532 HydrophobicContact CD2-CB 4.31Å; L528-L532 HydrophobicContact CD2-CD1 3.8Å; L528-L532 HydrophobicContact CD2-CG 4.46Å; L528-L532 CarbonylContact O-C 3.59Å; L528-L532 VanDerWaalsContact O-CA 3.31Å; L528-L532 WeakPolarHBondContact O-CA 3.33Å; L528-L532 PolarHBondContact O-N 3.29Å; L528-F535 HydrophobicContact CD1-CD1 4.44Å; L528-F535 HydrophobicContact CD2-CD1 4.48Å; L528-H536 HydrophobicContact CB-CB 4.41Å; L528-L539 HydrophobicContact CD1-CD1 4.04Å; L528-L549 HydrophobicContact CD1-CD2 4.28Å; L528-V591 HydrophobicContact CD2-CG2 4.28Å; L528-I594 HydrophobicContact CD1-CD1 4.12Å; L528-I594 HydrophobicContact CD2-CB 4.47Å; L528-I594 HydrophobicContact CD2-CD1 3.89Å; L528-I594 HydrophobicContact CD2-CG2 4.07Å
529	R	95.6	Very high	95	Very high	99 Å²	99	41.9 Å²	41.9	37%	0.374	19%	0.189	S	C	.	.	H	α-helix	trans	-63.1	-41	176.8	-167.9	178.9	59	73.5	-0.3	112.4	R525 E526 L527 H536	R525-R529 PolarHBondContact O-N 3.49Å; E526-R529 WeakPolarHBondContact O-CB 3.03Å; E526-R529 PolarHBondContact O-N 3.09Å; E526-R529 IonicContact OE1-CZ 2.62Å; E526-R529 IonicContact OE1-NE 3.01Å; E526-R529 PolarHBondContact OE1-NE 3.16Å; E526-R529 IonicContact OE1-NH2 3.39Å; E526-R529 PolarHBondContact OE1-NH2 3.39Å; E526-R529 IonicContact OE2-CZ 3.44Å; E526-R529 IonicContact OE2-NE 3.14Å; E526-R529 IonicContact OE2-NH2 2.85Å; E526-R529 PolarHBondContact OE2-NH2 3.17Å; L527-R529 VanDerWaalsContact C-N 3.33Å; L527-R529 PolarHBondContact O-N 3.42Å; R529-H536 HydrophobicContact CB-CB 4.5Å
530	L	93.9	Very high	95.4	Very high	60 Å²	60	40.5 Å²	40.5	31%	0.314	19%	0.192	S	C	.	.	H	α-helix	trans	-77.2	-48.1	179.1	-65.8	175.8	0	0	0	112.7	E526 L527 P645 L648	E526-L530 WeakPolarHBondContact O-CG 3.22Å; E526-L530 PolarHBondContact O-N 3.27Å; L527-L530 PolarHBondContact O-N 3.16Å; L530-P645 HydrophobicContact CD1-CG 3.97Å; L530-P645 HydrophobicContact CD2-CG 4.04Å; L530-P645 HydrophobicContact CG-CG 4.35Å; L530-L648 HydrophobicContact CD1-CD1 3.51Å
531	M	94.4	Very high	95.7	Very high	40 Å²	40	46.9 Å²	46.9	20%	0.197	22%	0.216	C	C	.	.	H	α-helix	trans	-94.9	-30.5	-166.8	-54	-167.2	85.2	0	0	113.1	L527 P533 F588 L634 Q637 F638	L527-M531 HydrophobicContact CD2-SD 4.35Å; L527-M531 WeakPolarHBondContact O-CB 3.26Å; L527-M531 WeakPolarHBondContact O-CG 3.28Å; L527-M531 PolarHBondContact O-N 3.31Å; M531-P533 VanDerWaalsContact C-CD 3.46Å; M531-F588 HydrophobicContact SD-CE1 4.42Å; M531-L634 HydrophobicContact CE-CB 3.99Å; M531-L634 HydrophobicContact CE-CD2 3.51Å; M531-L634 HydrophobicContact CE-CG 4.37Å; M531-L634 WeakPolarHBondContact CE-O 3.37Å; M531-L634 HydrophobicContact SD-CD2 4.22Å; M531-Q637 HydrophobicContact CE-CB 4.14Å; M531-F638 HydrophobicContact CE-CB 4.47Å
532	L	95.4	Very high	95.8	Very high	35 Å²	35	49 Å²	49	18%	0.183	23%	0.227	C	C	.	.			trans	-130.9	58.6	-177.3	-57.7	179.2	0	0	0	112.1	L528 R534 F535 H536 V591 I594 V595	L528-L532 HydrophobicContact CD2-CB 4.31Å; L528-L532 HydrophobicContact CD2-CD1 3.8Å; L528-L532 HydrophobicContact CD2-CG 4.46Å; L528-L532 CarbonylContact O-C 3.59Å; L528-L532 VanDerWaalsContact O-CA 3.31Å; L528-L532 WeakPolarHBondContact O-CA 3.33Å; L528-L532 PolarHBondContact O-N 3.29Å; L532-R534 PolarHBondContact O-N 3.03Å; L532-R534 VanDerWaalsContact O-N 3.07Å; L532-F535 HydrophobicContact CB-CB 4.05Å; L532-F535 WeakPolarHBondContact O-CA 3.34Å; L532-F535 WeakPolarHBondContact O-CB 3.25Å; L532-F535 PolarHBondContact O-N 3.11Å; L532-H536 PolarHBondContact O-N 3.37Å; L532-V591 HydrophobicContact CD1-CG1 3.9Å; L532-V591 HydrophobicContact CG-CG1 4.36Å; L532-I594 HydrophobicContact CD1-CB 4.3Å; L532-I594 HydrophobicContact CD1-CG2 3.8Å; L532-V595 HydrophobicContact CD1-CG2 3.69Å; L532-V595 HydrophobicContact CD2-CG2 3.72Å; L532-V595 HydrophobicContact CG-CG2 4.22Å
533	P	95.9	Very high	95.9	Very high	80 Å²	80	47.4 Å²	47.4	52%	0.519	23%	0.227	S	C	.	.	H	α-helix	trans	-58.1	-29.1	-172.8	21.9	-34.1	0	0	0	114.1	M531 Q537	M531-P533 VanDerWaalsContact C-CD 3.46Å; P533-Q537 VanDerWaalsContact O-CB 3.23Å; P533-Q537 WeakPolarHBondContact O-CB 3.33Å; P533-Q537 PolarHBondContact O-N 3.42Å
534	R	95.6	Very high	95.7	Very high	160 Å²	160	54.8 Å²	54.8	60%	0.604	26%	0.262	S	S	*	.	H	α-helix	trans	-63.3	-41.5	172	-76.6	-177.6	65	-165.5	-3.7	112.6	L532 H538	L532-R534 PolarHBondContact O-N 3.03Å; L532-R534 VanDerWaalsContact O-N 3.07Å; R534-H538 PolarHBondContact O-N 2.84Å
535	F	96.7	Very high	95.4	Very high	8 Å²	8	59.4 Å²	59.4	4%	0.035	29%	0.286	C	S	.	.	H	α-helix	trans	-73.2	-47.3	178.8	-165.1	-82	0	0	0	110.3	L528 L532 Q537 H538 L539 F551 I594 V601 T602 M611 F615	L528-F535 HydrophobicContact CD1-CD1 4.44Å; L528-F535 HydrophobicContact CD2-CD1 4.48Å; L532-F535 HydrophobicContact CB-CB 4.05Å; L532-F535 WeakPolarHBondContact O-CA 3.34Å; L532-F535 WeakPolarHBondContact O-CB 3.25Å; L532-F535 PolarHBondContact O-N 3.11Å; F535-Q537 PolarHBondContact O-N 3.29Å; F535-H538 WeakPolarHBondContact O-CB 2.97Å; F535-H538 PolarHBondContact O-N 2.88Å; F535-H538 VanDerWaalsContact O-N 3.11Å; F535-L539 HydrophobicContact CD1-CD1 3.91Å; F535-L539 HydrophobicContact CD1-CD2 4.48Å; F535-L539 HydrophobicContact CD1-CG 4.01Å; F535-L539 HydrophobicContact CE1-CD1 3.92Å; F535-L539 HydrophobicContact CE1-CD2 3.94Å; F535-L539 HydrophobicContact CE1-CG 3.97Å; F535-L539 PolarHBondContact O-N 3.05Å; F535-F551 HydrophobicContact CE1-CZ 4.09Å; F535-F551 HydrophobicContact CZ-CZ 4.2Å; F535-I594 HydrophobicContact CD1-CG2 3.86Å; F535-I594 HydrophobicContact CD2-CG2 3.61Å; F535-I594 HydrophobicContact CE1-CG2 3.81Å; F535-I594 HydrophobicContact CE2-CG2 3.58Å; F535-I594 HydrophobicContact CG-CG2 3.77Å; F535-I594 HydrophobicContact CZ-CG2 3.68Å; F535-V601 HydrophobicContact CE2-CB 3.91Å; F535-V601 HydrophobicContact CE2-CG1 3.77Å; F535-V601 HydrophobicContact CE2-CG2 4.27Å; F535-V601 HydrophobicContact CZ-CG1 4.16Å; F535-T602 HydrophobicContact CB-CG2 4.07Å; F535-T602 HydrophobicContact CD2-CG2 3.53Å; F535-T602 HydrophobicContact CE2-CG2 4.34Å; F535-T602 HydrophobicContact CG-CG2 4.12Å; F535-M611 HydrophobicContact CE1-CE 4.06Å; F535-M611 HydrophobicContact CE2-CE 4.5Å; F535-M611 HydrophobicContact CZ-CE 3.6Å; F535-F615 HydrophobicContact CZ-CE2 4.32Å; F535-F615 HydrophobicContact CZ-CZ 4.49Å
536	H	97.3	Very high	95.2	Very high	30 Å²	30	57.5 Å²	57.5	14%	0.139	28%	0.28	C	S	.	.	H	α-helix	trans	-56.8	-46.5	174.9	-177.1	-77.9	0	0	0	112.2	R525 L528 R529 L532 H538 L539 T540	R525-H536 PolarHBondContact O-CD2 2.58Å; L528-H536 HydrophobicContact CB-CB 4.41Å; R529-H536 HydrophobicContact CB-CB 4.5Å; L532-H536 PolarHBondContact O-N 3.37Å; H536-H538 VanDerWaalsContact C-N 3.25Å; H536-H538 PolarHBondContact O-N 3.31Å; H536-L539 WeakPolarHBondContact O-CB 3.29Å; H536-L539 PolarHBondContact O-N 2.93Å; H536-L539 VanDerWaalsContact O-N 3.13Å; H536-T540 PolarHBondContact CE1-OG1 3.27Å; H536-T540 PolarHBondContact ND1-OG1 2.89Å; H536-T540 PolarHBondContact O-N 2.88Å; H536-T540 PolarHBondContact O-OG1 2.9Å
537	Q	96.9	Very high	95.1	Very high	110 Å²	110	58.2 Å²	58.2	51%	0.514	28%	0.284	S	S	.	.	H	α-helix	trans	-61.7	-34.1	178.4	-164.9	-167.5	36.6	0	0	112.2	P533 F535 T540 R541	P533-Q537 VanDerWaalsContact O-CB 3.23Å; P533-Q537 WeakPolarHBondContact O-CB 3.33Å; P533-Q537 PolarHBondContact O-N 3.42Å; F535-Q537 PolarHBondContact O-N 3.29Å; Q537-T540 PolarHBondContact O-N 2.99Å; Q537-R541 WeakPolarHBondContact O-CG 3.47Å; Q537-R541 PolarHBondContact O-N 3.07Å
538	H	96.4	Very high	94.9	Very high	2 Å²	2	61.9 Å²	61.9	1%	0.009	30%	0.301	C	S	.	.	H	α-helix	trans	-66.9	-44.7	173.5	168.4	63.1	0	0	0	111.6	R534 F535 H536 T540 R541 L542 V601 Q605 L606	R534-H538 PolarHBondContact O-N 2.84Å; F535-H538 WeakPolarHBondContact O-CB 2.97Å; F535-H538 PolarHBondContact O-N 2.88Å; F535-H538 VanDerWaalsContact O-N 3.11Å; H536-H538 VanDerWaalsContact C-N 3.25Å; H536-H538 PolarHBondContact O-N 3.31Å; H538-T540 VanDerWaalsContact C-N 3.31Å; H538-T540 PolarHBondContact O-N 3.17Å; H538-R541 WeakPolarHBondContact O-CB 3.34Å; H538-R541 PolarHBondContact O-N 2.95Å; H538-R541 VanDerWaalsContact O-N 3.07Å; H538-L542 PolarHBondContact O-N 3.35Å; H538-V601 WeakPolarHBondContact NE2-CG1 3.44Å; H538-Q605 PolarHBondContact ND1-NE2 3.47Å; H538-Q605 PolarHBondContact ND1-OE1 2.86Å; H538-L606 PolarHBondContact CE1-O 2.99Å; H538-L606 PolarHBondContact NE2-O 3.45Å
539	L	97.1	Very high	94.8	Very high	0 Å²	0	61.9 Å²	61.9	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-55.7	-44.2	171.4	-62.1	174.1	0	0	0	112	L528 F535 H536 R541 L542 G543 L547 L549 F551 M611	L528-L539 HydrophobicContact CD1-CD1 4.04Å; F535-L539 HydrophobicContact CD1-CD1 3.91Å; F535-L539 HydrophobicContact CD1-CD2 4.48Å; F535-L539 HydrophobicContact CD1-CG 4.01Å; F535-L539 HydrophobicContact CE1-CD1 3.92Å; F535-L539 HydrophobicContact CE1-CD2 3.94Å; F535-L539 HydrophobicContact CE1-CG 3.97Å; F535-L539 PolarHBondContact O-N 3.05Å; H536-L539 WeakPolarHBondContact O-CB 3.29Å; H536-L539 PolarHBondContact O-N 2.93Å; H536-L539 VanDerWaalsContact O-N 3.13Å; L539-R541 VanDerWaalsContact C-N 3.25Å; L539-R541 PolarHBondContact O-N 3.1Å; L539-L542 WeakPolarHBondContact O-CB 3.18Å; L539-L542 PolarHBondContact O-N 2.94Å; L539-G543 PolarHBondContact O-N 3.3Å; L539-L547 HydrophobicContact CB-CD2 4.09Å; L539-L549 HydrophobicContact CD1-CD2 3.55Å; L539-L549 HydrophobicContact CD2-CD2 4.24Å; L539-F551 HydrophobicContact CD2-CE1 4.32Å; L539-M611 HydrophobicContact CD2-CE 3.64Å; L539-M611 HydrophobicContact CD2-SD 4.29Å
540	T	96.6	Very high	94.6	Very high	71 Å²	71	60.6 Å²	60.6	44%	0.436	30%	0.302	S	S	.	.	H	α-helix	trans	-62.5	-29.9	178.1	-42.3	0	0	0	0	112.7	H536 Q537 H538 L542 G543	H536-T540 PolarHBondContact CE1-OG1 3.27Å; H536-T540 PolarHBondContact ND1-OG1 2.89Å; H536-T540 PolarHBondContact O-N 2.88Å; H536-T540 PolarHBondContact O-OG1 2.9Å; Q537-T540 PolarHBondContact O-N 2.99Å; H538-T540 VanDerWaalsContact C-N 3.31Å; H538-T540 PolarHBondContact O-N 3.17Å; T540-L542 VanDerWaalsContact C-N 3.34Å; T540-G543 PolarHBondContact O-N 2.88Å
541	R	96.1	Very high	94.6	Very high	138 Å²	138	58.2 Å²	58.2	52%	0.521	29%	0.288	S	S	.	.	H	α-helix	trans	-72	-26.6	174.2	-66.1	168.3	-157.2	159.4	3	112.9	Q537 H538 L539 Q605	Q537-R541 WeakPolarHBondContact O-CG 3.47Å; Q537-R541 PolarHBondContact O-N 3.07Å; H538-R541 WeakPolarHBondContact O-CB 3.34Å; H538-R541 PolarHBondContact O-N 2.95Å; H538-R541 VanDerWaalsContact O-N 3.07Å; L539-R541 VanDerWaalsContact C-N 3.25Å; L539-R541 PolarHBondContact O-N 3.1Å; R541-Q605 VanDerWaalsContact NH1-CD 3.29Å
542	L	94.9	Very high	94.5	Very high	49 Å²	49	56.3 Å²	56.3	26%	0.257	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.2	-3.6	174.4	-61.7	175.4	0	0	0	112.6	H538 L539 T540 M611	H538-L542 PolarHBondContact O-N 3.35Å; L539-L542 WeakPolarHBondContact O-CB 3.18Å; L539-L542 PolarHBondContact O-N 2.94Å; T540-L542 VanDerWaalsContact C-N 3.34Å; L542-M611 HydrophobicContact CD1-SD 3.77Å
543	G	94.3	Very high	94.2	Very high	31 Å²	31	57.5 Å²	57.5	32%	0.32	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	70.1	-150.7	179	0	0	0	0	0	113.3	L539 T540 D545 G546 L547	L539-G543 PolarHBondContact O-N 3.3Å; T540-G543 PolarHBondContact O-N 2.88Å; G543-D545 VanDerWaalsContact C-N 3.31Å; G543-D545 PolarHBondContact O-N 3.43Å; G543-G546 PolarHBondContact O-N 2.82Å; G543-L547 WeakPolarHBondContact O-CG 3.3Å; G543-L547 PolarHBondContact O-N 3.43Å
544	E	91.7	Very high	93.9	Very high	163 Å²	163	58.2 Å²	58.2	76%	0.762	28%	0.276	S	S	*	.	H	α-helix	trans	-60.4	-38.6	-176.2	-63.7	-178.2	167.9	0	0	112.1	G546 L547 Q548	E544-G546 VanDerWaalsContact C-N 3.32Å; E544-G546 PolarHBondContact O-N 2.6Å; E544-L547 CarbonylContact O-C 3.48Å; E544-L547 PolarHBondContact O-N 3.41Å; E544-Q548 WeakPolarHBondContact O-CG 3.15Å; E544-Q548 PolarHBondContact O-N 2.95Å
545	D	89.7	Confident	93.8	Very high	97 Å²	97	50.8 Å²	50.8	52%	0.519	25%	0.248	S	C	.	.	H	α-helix	trans	-60.2	-38.8	178.1	-65.1	-31.1	0	0	0	112.7	G543 Q548 T608	G543-D545 VanDerWaalsContact C-N 3.31Å; G543-D545 PolarHBondContact O-N 3.43Å; D545-Q548 PolarHBondContact OD1-NE2 3.12Å; D545-Q548 VanDerWaalsContact OD1-NE2 3.15Å; D545-T608 HydrophobicContact CB-CG2 4.41Å; D545-T608 VanDerWaalsContact O-CG2 3.27Å; D545-T608 WeakPolarHBondContact O-CG2 3.11Å
546	G	91.1	Very high	93.4	Very high	1 Å²	1	50.4 Å²	50.4	1%	0.01	25%	0.246	C	C	.	.	H	α-helix	trans	-67.4	-40.4	173.4	0	0	0	0	0	112.3	G543 E544 Q548 L549	G543-G546 PolarHBondContact O-N 2.82Å; E544-G546 VanDerWaalsContact C-N 3.32Å; E544-G546 PolarHBondContact O-N 2.6Å; G546-Q548 VanDerWaalsContact C-N 3.31Å; G546-Q548 PolarHBondContact O-N 3.16Å; G546-L549 PolarHBondContact O-N 2.92Å
547	L	93.8	Very high	92.8	Very high	49 Å²	49	52.2 Å²	52.2	26%	0.257	26%	0.257	S	S	.	.	H	α-helix	trans	-77.1	-12.8	-177.1	-62.7	173.2	0	0	0	113.8	R525 L539 G543 E544 L549	R525-L547 WeakPolarHBondContact CD-O 3.24Å; R525-L547 PolarHBondContact NH1-O 2.7Å; L539-L547 HydrophobicContact CB-CD2 4.09Å; G543-L547 WeakPolarHBondContact O-CG 3.3Å; G543-L547 PolarHBondContact O-N 3.43Å; E544-L547 CarbonylContact O-C 3.48Å; E544-L547 PolarHBondContact O-N 3.41Å; L547-L549 PolarHBondContact O-N 3.36Å
548	Q	92.4	Very high	92.3	Very high	76 Å²	76	48.2 Å²	48.2	36%	0.355	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-19	167.1	-72.6	165.4	44	0	0	113.1	E544 D545 G546 L550 H553	E544-Q548 WeakPolarHBondContact O-CG 3.15Å; E544-Q548 PolarHBondContact O-N 2.95Å; D545-Q548 PolarHBondContact OD1-NE2 3.12Å; D545-Q548 VanDerWaalsContact OD1-NE2 3.15Å; G546-Q548 VanDerWaalsContact C-N 3.31Å; G546-Q548 PolarHBondContact O-N 3.16Å; Q548-L550 HydrophobicContact CB-CD2 3.93Å; Q548-L550 HydrophobicContact CB-CG 3.96Å; Q548-L550 PolarHBondContact O-N 3.38Å; Q548-L550 VanDerWaalsContact O-N 3.13Å; Q548-H553 PolarHBondContact O-NE2 3.19Å
549	L	94.6	Very high	92	Very high	1 Å²	1	48.1 Å²	48.1	1%	0.005	24%	0.238	C	C	.	.			trans	53	30.6	177.9	-60.2	-179.5	0	0	0	115	L521 L524 R525 L528 L539 G546 L547 F551 C552 H553	L521-L549 HydrophobicContact CD2-CB 4.19Å; L521-L549 HydrophobicContact CD2-CD1 4.29Å; L524-L549 HydrophobicContact CB-CD1 4.24Å; L524-L549 HydrophobicContact CD2-CD1 3.93Å; L524-L549 HydrophobicContact CG-CD1 3.97Å; R525-L549 HydrophobicContact CG-CD1 3.73Å; R525-L549 HydrophobicContact CG-CG 4.23Å; L528-L549 HydrophobicContact CD1-CD2 4.28Å; L539-L549 HydrophobicContact CD1-CD2 3.55Å; L539-L549 HydrophobicContact CD2-CD2 4.24Å; G546-L549 PolarHBondContact O-N 2.92Å; L547-L549 PolarHBondContact O-N 3.36Å; L549-F551 HydrophobicContact CB-CE1 4.31Å; L549-F551 HydrophobicContact CD2-CE1 3.73Å; L549-F551 HydrophobicContact CD2-CZ 3.81Å; L549-F551 PolarHBondContact O-N 2.78Å; L549-C552 PolarHBondContact O-N 3.42Å; L549-C552 PolarHBondContact O-SG 2.78Å; L549-H553 PolarHBondContact O-CD2 3.17Å
550	L	92.1	Very high	91.8	Very high	72 Å²	72	48.2 Å²	48.2	38%	0.377	24%	0.239	S	C	.	.	G	3₁₀ helix	trans	-49.6	-30	-171.8	-59.8	-178.9	0	0	0	114.5	Q548 C552 H553	Q548-L550 HydrophobicContact CB-CD2 3.93Å; Q548-L550 HydrophobicContact CB-CG 3.96Å; Q548-L550 PolarHBondContact O-N 3.38Å; Q548-L550 VanDerWaalsContact O-N 3.13Å; L550-C552 VanDerWaalsContact C-N 3.26Å; L550-C552 PolarHBondContact O-N 3.26Å; L550-H553 PolarHBondContact O-N 2.96Å
551	F	93.1	Very high	91.4	Very high	9 Å²	9	45.5 Å²	45.5	4%	0.039	22%	0.221	C	C	.	.	G	3₁₀ helix	trans	-61.7	-23.2	177.3	66.6	-93.3	0	0	0	115.1	F535 L539 L549 W555 I594 M611 L612 F615	F535-F551 HydrophobicContact CE1-CZ 4.09Å; F535-F551 HydrophobicContact CZ-CZ 4.2Å; L539-F551 HydrophobicContact CD2-CE1 4.32Å; L549-F551 HydrophobicContact CB-CE1 4.31Å; L549-F551 HydrophobicContact CD2-CE1 3.73Å; L549-F551 HydrophobicContact CD2-CZ 3.81Å; L549-F551 PolarHBondContact O-N 2.78Å; F551-W555 HydrophobicContact CD2-CH2 4.08Å; F551-W555 HydrophobicContact CD2-CZ2 4.43Å; F551-W555 HydrophobicContact CE2-CH2 4.24Å; F551-W555 HydrophobicContact CE2-CZ3 4.46Å; F551-I594 HydrophobicContact CE2-CD1 3.91Å; F551-I594 HydrophobicContact CE2-CG1 4.18Å; F551-I594 HydrophobicContact CZ-CD1 4.22Å; F551-M611 HydrophobicContact CD1-CE 3.92Å; F551-M611 HydrophobicContact CE1-CE 3.56Å; F551-M611 HydrophobicContact CZ-CE 4.12Å; F551-L612 HydrophobicContact CB-CB 4.33Å; F551-L612 HydrophobicContact CB-CD1 4.37Å; F551-F615 HydrophobicContact CB-CD2 4.06Å; F551-F615 AromaticContact CD2-CD2 3.43Å; F551-F615 HydrophobicContact CD2-CD2 3.43Å; F551-F615 VanDerWaalsContact CD2-CD2 3.43Å; F551-F615 AromaticContact CD2-CE2 3.67Å; F551-F615 HydrophobicContact CD2-CE2 3.67Å; F551-F615 HydrophobicContact CD2-CG 4.17Å; F551-F615 HydrophobicContact CE2-CD2 4.05Å; F551-F615 AromaticContact CE2-CE2 3.78Å; F551-F615 HydrophobicContact CE2-CE2 3.78Å; F551-F615 HydrophobicContact CE2-CZ 4.45Å; F551-F615 AromaticContact CG-CD2 3.86Å; F551-F615 HydrophobicContact CG-CD2 3.86Å; F551-F615 HydrophobicContact CG-CE2 4.29Å; F551-F615 HydrophobicContact CZ-CE2 4.48Å
552	C	92.9	Very high	91.2	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	21%	0.209	C	C	.	.	G	3₁₀ helix	trans	-105.9	-1.5	178.4	74.3	0	0	0	0	114.6	L524 L549 L550 R554 W555 I556	L524-C552 VanDerWaalsContact CD2-SG 3.59Å; L549-C552 PolarHBondContact O-N 3.42Å; L549-C552 PolarHBondContact O-SG 2.78Å; L550-C552 VanDerWaalsContact C-N 3.26Å; L550-C552 PolarHBondContact O-N 3.26Å; C552-R554 VanDerWaalsContact C-N 3.32Å; C552-R554 PolarHBondContact O-N 2.83Å; C552-W555 HydrophobicContact CB-CD2 3.8Å; C552-W555 HydrophobicContact CB-CE3 3.4Å; C552-W555 HydrophobicContact CB-CG 4.33Å; C552-W555 HydrophobicContact CB-CH2 4.49Å; C552-W555 HydrophobicContact CB-CZ3 3.78Å; C552-W555 VanDerWaalsContact O-CB 3.3Å; C552-W555 WeakPolarHBondContact O-CB 3.27Å; C552-W555 PolarHBondContact O-N 3.41Å; C552-W555 VanDerWaalsContact O-N 3.08Å; C552-I556 PolarHBondContact O-N 2.96Å
553	H	89.3	Confident	91	Very high	60 Å²	60	40 Å²	40	28%	0.278	20%	0.197	S	C	.	.	H	α-helix	trans	-57.8	-45.2	-179.7	-78.4	-145.2	0	0	0	111.7	L521 Q548 L549 L550 W555 I556 L557	L521-H553 VanDerWaalsContact CD1-NE2 3.26Å; L521-H553 WeakPolarHBondContact CD1-NE2 3.12Å; Q548-H553 PolarHBondContact O-NE2 3.19Å; L549-H553 PolarHBondContact O-CD2 3.17Å; L550-H553 PolarHBondContact O-N 2.96Å; H553-W555 VanDerWaalsContact C-N 3.26Å; H553-W555 PolarHBondContact O-N 3.17Å; H553-I556 PolarHBondContact O-N 3.45Å; H553-L557 VanDerWaalsContact O-CB 3.25Å; H553-L557 WeakPolarHBondContact O-CB 3.35Å; H553-L557 PolarHBondContact O-N 2.86Å
554	R	89.5	Confident	91	Very high	96 Å²	96	38.6 Å²	38.6	36%	0.362	18%	0.182	S	C	.	.	H	α-helix	trans	-63.3	-31.5	177.5	-164.6	177.9	75.4	-178.7	3.7	112.6	C552 L558 E563	C552-R554 VanDerWaalsContact C-N 3.32Å; C552-R554 PolarHBondContact O-N 2.83Å; R554-L558 HydrophobicContact CG-CD1 3.89Å; R554-L558 HydrophobicContact CG-CG 4.38Å; R554-L558 WeakPolarHBondContact O-CB 3.39Å; R554-L558 PolarHBondContact O-N 3.4Å; R554-E563 IonicContact CZ-OE1 3.19Å; R554-E563 VanDerWaalsContact CZ-OE1 3.23Å; R554-E563 IonicContact CZ-OE2 2.9Å; R554-E563 IonicContact NE-OE1 3.77Å; R554-E563 PolarHBondContact NE-OE1 2.7Å; R554-E563 IonicContact NH2-OE1 2.71Å; R554-E563 PolarHBondContact NH2-OE1 2.85Å; R554-E563 IonicContact NH2-OE2 3.85Å; R554-E563 PolarHBondContact NH2-OE2 2.96Å
555	W	92.8	Very high	90.9	Very high	3 Å²	3	33.4 Å²	33.4	1%	0.011	16%	0.162	C	C	.	.	H	α-helix	trans	-65.8	-46.6	179.5	-56.7	-7.4	0	0	0	111.2	F551 C552 H553 C559 F560 E563 C590 I593 I594 F615	F551-W555 HydrophobicContact CD2-CH2 4.08Å; F551-W555 HydrophobicContact CD2-CZ2 4.43Å; F551-W555 HydrophobicContact CE2-CH2 4.24Å; F551-W555 HydrophobicContact CE2-CZ3 4.46Å; C552-W555 HydrophobicContact CB-CD2 3.8Å; C552-W555 HydrophobicContact CB-CE3 3.4Å; C552-W555 HydrophobicContact CB-CG 4.33Å; C552-W555 HydrophobicContact CB-CH2 4.49Å; C552-W555 HydrophobicContact CB-CZ3 3.78Å; C552-W555 VanDerWaalsContact O-CB 3.3Å; C552-W555 WeakPolarHBondContact O-CB 3.27Å; C552-W555 PolarHBondContact O-N 3.41Å; C552-W555 VanDerWaalsContact O-N 3.08Å; H553-W555 VanDerWaalsContact C-N 3.26Å; H553-W555 PolarHBondContact O-N 3.17Å; W555-C559 CarbonylContact O-C 3.56Å; W555-C559 WeakPolarHBondContact O-CA 3.44Å; W555-C559 PolarHBondContact O-N 3.1Å; W555-C559 VanDerWaalsContact O-N 3.14Å; W555-F560 HydrophobicContact CB-CD1 3.8Å; W555-F560 HydrophobicContact CB-CE1 3.74Å; W555-F560 HydrophobicContact CG-CD1 4.41Å; W555-F560 HydrophobicContact CG-CE1 4.48Å; W555-F560 PolarHBondContact O-N 3.23Å; W555-E563 VanDerWaalsContact CD1-CG 3.47Å; W555-E563 HydrophobicContact CG-CG 4.22Å; W555-C590 HydrophobicContact CE3-CB 4.26Å; W555-C590 HydrophobicContact CZ3-CB 4.46Å; W555-I593 HydrophobicContact CD2-CD1 4.37Å; W555-I593 HydrophobicContact CE3-CD1 4.1Å; W555-I593 HydrophobicContact CH2-CB 4.04Å; W555-I593 HydrophobicContact CH2-CG2 3.33Å; W555-I593 HydrophobicContact CZ2-CG2 3.74Å; W555-I593 HydrophobicContact CZ3-CB 4Å; W555-I593 HydrophobicContact CZ3-CD1 4.25Å; W555-I593 HydrophobicContact CZ3-CG2 3.81Å; W555-I594 HydrophobicContact CH2-CG1 4.3Å; W555-I594 HydrophobicContact CZ3-CD1 4.45Å; W555-I594 HydrophobicContact CZ3-CG1 4.2Å; W555-F615 AromaticContact CH2-CD1 3.73Å; W555-F615 HydrophobicContact CH2-CD1 3.73Å; W555-F615 AromaticContact CH2-CE1 3.93Å; W555-F615 HydrophobicContact CH2-CE1 3.93Å; W555-F615 HydrophobicContact CH2-CG 4.07Å; W555-F615 HydrophobicContact CH2-CZ 4.41Å; W555-F615 HydrophobicContact CZ2-CB 3.89Å; W555-F615 AromaticContact CZ2-CD1 3.62Å; W555-F615 HydrophobicContact CZ2-CD1 3.62Å; W555-F615 HydrophobicContact CZ2-CE1 4.29Å; W555-F615 AromaticContact CZ2-CG 3.78Å; W555-F615 HydrophobicContact CZ2-CG 3.78Å
556	I	89.3	Confident	90.9	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-70.6	-57.3	178.2	-59.6	174.4	0	0	0	109.3	F508 M517 L521 C552 H553 L558 C559 L587	F508-I556 HydrophobicContact CB-CG2 4.47Å; M517-I556 HydrophobicContact CE-CB 4.09Å; M517-I556 HydrophobicContact CE-CG2 3.83Å; M517-I556 HydrophobicContact SD-CB 4.27Å; M517-I556 HydrophobicContact SD-CD1 4.16Å; M517-I556 HydrophobicContact SD-CG2 4.14Å; L521-I556 HydrophobicContact CD2-CD1 4.11Å; C552-I556 PolarHBondContact O-N 2.96Å; H553-I556 PolarHBondContact O-N 3.45Å; I556-L558 VanDerWaalsContact C-N 3.33Å; I556-L558 PolarHBondContact O-N 2.93Å; I556-C559 PolarHBondContact O-N 3.08Å; I556-L587 HydrophobicContact CD1-CD2 4.46Å
557	L	84.3	Confident	90.9	Very high	69 Å²	69	35.8 Å²	35.8	36%	0.361	18%	0.178	S	C	.	.	H	α-helix	trans	-56.9	-40.9	-174.3	-178.3	66.1	0	0	0	113.7	M517 H553	M517-L557 HydrophobicContact CE-CB 4.28Å; H553-L557 VanDerWaalsContact O-CB 3.25Å; H553-L557 WeakPolarHBondContact O-CB 3.35Å; H553-L557 PolarHBondContact O-N 2.86Å
558	L	86.4	Confident	90.9	Very high	25 Å²	25	35.7 Å²	35.7	13%	0.131	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.6	21.6	179.4	-56.1	-178	0	0	0	112.6	R554 I556 F560 K561 R562	R554-L558 HydrophobicContact CG-CD1 3.89Å; R554-L558 HydrophobicContact CG-CG 4.38Å; R554-L558 WeakPolarHBondContact O-CB 3.39Å; R554-L558 PolarHBondContact O-N 3.4Å; I556-L558 VanDerWaalsContact C-N 3.33Å; I556-L558 PolarHBondContact O-N 2.93Å; L558-F560 PolarHBondContact O-N 3.38Å; L558-K561 WeakPolarHBondContact O-CB 3.41Å; L558-K561 PolarHBondContact O-N 2.71Å; L558-R562 HydrophobicContact CB-CG 4.38Å; L558-R562 HydrophobicContact CD1-CB 4.41Å; L558-R562 HydrophobicContact CD1-CG 3.64Å
559	C	89.3	Confident	91	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.4	37	169.1	-59.7	0	0	0	0	113.9	L481 F508 I509 W555 I556 K561 W573	L481-C559 HydrophobicContact CD2-CB 3.95Å; F508-C559 HydrophobicContact CD2-CB 4.2Å; F508-C559 VanDerWaalsContact CD2-SG 3.56Å; F508-C559 HydrophobicContact CE2-CB 3.74Å; F508-C559 WeakPolarHBondContact CE2-SG 3.2Å; I509-C559 WeakPolarHBondContact CG1-SG 3.3Å; W555-C559 CarbonylContact O-C 3.56Å; W555-C559 WeakPolarHBondContact O-CA 3.44Å; W555-C559 PolarHBondContact O-N 3.1Å; W555-C559 VanDerWaalsContact O-N 3.14Å; I556-C559 PolarHBondContact O-N 3.08Å; C559-K561 PolarHBondContact O-N 2.69Å; C559-W573 HydrophobicContact CB-CZ2 3.8Å; C559-W573 PolarHBondContact O-NE1 3.1Å
560	F	93.3	Very high	91.1	Very high	2 Å²	2	32.1 Å²	32.1	1%	0.009	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.1	3.2	-173.6	-42	-89.1	0	0	0	116	W555 L558 R562 E563 F564 M572 H586 L589 I593	W555-F560 HydrophobicContact CB-CD1 3.8Å; W555-F560 HydrophobicContact CB-CE1 3.74Å; W555-F560 HydrophobicContact CG-CD1 4.41Å; W555-F560 HydrophobicContact CG-CE1 4.48Å; W555-F560 PolarHBondContact O-N 3.23Å; L558-F560 PolarHBondContact O-N 3.38Å; F560-R562 PolarHBondContact O-N 3.4Å; F560-R562 VanDerWaalsContact O-N 3.13Å; F560-E563 HydrophobicContact CB-CB 4.5Å; F560-E563 WeakPolarHBondContact O-CA 3.32Å; F560-E563 WeakPolarHBondContact O-CB 3.23Å; F560-E563 PolarHBondContact O-N 3.5Å; F560-F564 HydrophobicContact CB-CD2 3.86Å; F560-F564 HydrophobicContact CB-CE2 4.08Å; F560-F564 HydrophobicContact CD1-CE2 4.31Å; F560-F564 PolarHBondContact O-N 3.19Å; F560-M572 HydrophobicContact CB-SD 4.33Å; F560-M572 HydrophobicContact CG-SD 4.36Å; F560-H586 HydrophobicContact CE2-CB 4.02Å; F560-H586 HydrophobicContact CZ-CB 4.26Å; F560-L589 HydrophobicContact CD2-CD1 4.21Å; F560-L589 HydrophobicContact CE1-CB 4.11Å; F560-L589 HydrophobicContact CE2-CB 4.2Å; F560-L589 HydrophobicContact CE2-CD1 3.74Å; F560-L589 HydrophobicContact CZ-CB 3.71Å; F560-L589 HydrophobicContact CZ-CD1 4.15Å; F560-I593 HydrophobicContact CD1-CD1 3.99Å; F560-I593 HydrophobicContact CE1-CD1 3.96Å
561	K	89.4	Confident	91.3	Very high	14 Å²	14	30 Å²	30	6%	0.061	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-24.3	-179.3	-172.6	66.4	160.8	85.4	0	113.9	D441 D480 P484 L558 C559 D566 W573	D441-K561 IonicContact OD1-NZ 2.73Å; D441-K561 IonicContact OD2-NZ 2.99Å; D441-K561 PolarHBondContact OD2-NZ 2.9Å; D480-K561 HydrophobicContact CB-CG 4.42Å; D480-K561 WeakPolarHBondContact O-CE 3.44Å; P484-K561 HydrophobicContact CG-CD 4.44Å; L558-K561 WeakPolarHBondContact O-CB 3.41Å; L558-K561 PolarHBondContact O-N 2.71Å; C559-K561 PolarHBondContact O-N 2.69Å; K561-D566 WeakPolarHBondContact CE-OD1 3.34Å; K561-D566 IonicContact NZ-OD1 2.7Å; K561-D566 PolarHBondContact NZ-OD1 3.23Å; K561-W573 HydrophobicContact CB-CZ2 4.14Å; K561-W573 HydrophobicContact CD-CH2 4.29Å; K561-W573 HydrophobicContact CD-CZ2 4.08Å; K561-W573 HydrophobicContact CG-CZ2 4.42Å
562	R	90.1	Very high	91.4	Very high	73 Å²	73	29.6 Å²	29.6	28%	0.275	15%	0.145	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.2	9.4	175.9	-60.9	-56.4	-171.4	173.1	-1.6	113.2	D480 L558 F560 S619	D480-R562 IonicContact OD1-CZ 2.67Å; D480-R562 IonicContact OD1-NH2 3.37Å; D480-R562 PolarHBondContact OD1-NH2 3.36Å; D480-R562 IonicContact OD2-CZ 3.74Å; D480-R562 IonicContact OD2-NE 3.53Å; D480-R562 PolarHBondContact OD2-NE 2.7Å; D480-R562 IonicContact OD2-NH2 3.92Å; D480-R562 PolarHBondContact OD2-NH2 3.24Å; L558-R562 HydrophobicContact CB-CG 4.38Å; L558-R562 HydrophobicContact CD1-CB 4.41Å; L558-R562 HydrophobicContact CD1-CG 3.64Å; F560-R562 PolarHBondContact O-N 3.4Å; F560-R562 VanDerWaalsContact O-N 3.13Å; R562-S619 PolarHBondContact O-OG 2.99Å
563	E	92.5	Very high	91.6	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	-118.5	-27	-177	-46.7	-51.1	152.8	0	0	113.8	R554 W555 F560 M620 M622	R554-E563 IonicContact CZ-OE1 3.19Å; R554-E563 VanDerWaalsContact CZ-OE1 3.23Å; R554-E563 IonicContact CZ-OE2 2.9Å; R554-E563 IonicContact NE-OE1 3.77Å; R554-E563 PolarHBondContact NE-OE1 2.7Å; R554-E563 IonicContact NH2-OE1 2.71Å; R554-E563 PolarHBondContact NH2-OE1 2.85Å; R554-E563 IonicContact NH2-OE2 3.85Å; R554-E563 PolarHBondContact NH2-OE2 2.96Å; W555-E563 VanDerWaalsContact CD1-CG 3.47Å; W555-E563 HydrophobicContact CG-CG 4.22Å; F560-E563 HydrophobicContact CB-CB 4.5Å; F560-E563 WeakPolarHBondContact O-CA 3.32Å; F560-E563 WeakPolarHBondContact O-CB 3.23Å; F560-E563 PolarHBondContact O-N 3.5Å; E563-M620 PolarHBondContact O-N 3.43Å; E563-M622 HydrophobicContact CB-CE 3.79Å
564	F	92.9	Very high	91.9	Very high	1 Å²	1	26.9 Å²	26.9	0%	0.004	13%	0.132	C	C	.	.	S	Bend	trans	-129.5	157.7	-178.1	-62.5	-89.4	0	0	0	111.8	F560 E568 A569 M572 I593 M620 M622 V627	F560-F564 HydrophobicContact CB-CD2 3.86Å; F560-F564 HydrophobicContact CB-CE2 4.08Å; F560-F564 HydrophobicContact CD1-CE2 4.31Å; F560-F564 PolarHBondContact O-N 3.19Å; F564-E568 HydrophobicContact CB-CB 4.23Å; F564-A569 HydrophobicContact CB-CB 4.44Å; F564-M572 HydrophobicContact CD1-CE 3.96Å; F564-M572 HydrophobicContact CD2-CE 3.94Å; F564-M572 HydrophobicContact CD2-SD 3.97Å; F564-M572 HydrophobicContact CE1-CE 3.75Å; F564-M572 HydrophobicContact CE2-CE 3.76Å; F564-M572 HydrophobicContact CE2-SD 3.93Å; F564-M572 HydrophobicContact CG-CE 4.06Å; F564-M572 HydrophobicContact CZ-CE 3.67Å; F564-M572 HydrophobicContact CZ-SD 4.42Å; F564-I593 HydrophobicContact CE2-CD1 4Å; F564-I593 HydrophobicContact CZ-CD1 3.96Å; F564-I593 HydrophobicContact CZ-CG1 4.16Å; F564-M620 VanDerWaalsContact O-SD 3.38Å; F564-M622 HydrophobicContact CD1-CB 4.07Å; F564-M622 HydrophobicContact CE1-CB 3.38Å; F564-M622 HydrophobicContact CE1-CE 4.42Å; F564-M622 HydrophobicContact CE2-CE 4.15Å; F564-M622 HydrophobicContact CZ-CB 3.91Å; F564-M622 HydrophobicContact CZ-CE 3.91Å; F564-M622 HydrophobicContact CZ-SD 4.23Å; F564-V627 HydrophobicContact CE1-CB 4.46Å; F564-V627 HydrophobicContact CE1-CG2 4.02Å; F564-V627 HydrophobicContact CZ-CB 4.37Å; F564-V627 HydrophobicContact CZ-CG1 4.32Å; F564-V627 HydrophobicContact CZ-CG2 3.97Å
565	P	90.4	Very high	92.2	Very high	53 Å²	53	22.4 Å²	22.4	34%	0.344	12%	0.115	S	C	.	.			trans	-52.6	145.8	165.8	-24.1	34.5	0	0	0	111.8	T567 E568 A569	P565-T567 VanDerWaalsContact C-N 3.32Å; P565-T567 PolarHBondContact O-N 3.06Å; P565-E568 HydrophobicContact CB-CG 4.48Å; P565-E568 WeakPolarHBondContact O-CA 3.48Å; P565-E568 WeakPolarHBondContact O-CB 3.42Å; P565-E568 PolarHBondContact O-N 3.08Å; P565-A569 PolarHBondContact O-N 3.33Å
566	D	88.9	Confident	92.3	Very high	55 Å²	55	22.5 Å²	22.5	29%	0.294	12%	0.117	S	C	.	.	H	α-helix	trans	-53.5	-45.3	-171.4	-164	79	0	0	0	113.4	K561 E568 A569 L570	K561-D566 WeakPolarHBondContact CE-OD1 3.34Å; K561-D566 IonicContact NZ-OD1 2.7Å; K561-D566 PolarHBondContact NZ-OD1 3.23Å; D566-E568 PolarHBondContact O-N 3.25Å; D566-A569 PolarHBondContact O-N 3.46Å; D566-L570 WeakPolarHBondContact O-CG 3.38Å; D566-L570 PolarHBondContact O-N 3.37Å
567	T	92	Very high	92.5	Very high	93 Å²	93	22.6 Å²	22.6	57%	0.571	12%	0.117	S	C	*	.	H	α-helix	trans	-65.4	-19.2	178.3	52.5	0	0	0	0	114.5	P565 R571	P565-T567 VanDerWaalsContact C-N 3.32Å; P565-T567 PolarHBondContact O-N 3.06Å; T567-R571 WeakPolarHBondContact O-CG 3.29Å
568	E	94	Very high	92.8	Very high	48 Å²	48	19.3 Å²	19.3	22%	0.224	10%	0.1	C	C	.	.	H	α-helix	trans	-92.1	-43.4	173.7	-60.8	-168.8	166.1	0	0	111.3	F564 P565 D566 L570 R571 M572 G624	F564-E568 HydrophobicContact CB-CB 4.23Å; P565-E568 HydrophobicContact CB-CG 4.48Å; P565-E568 WeakPolarHBondContact O-CA 3.48Å; P565-E568 WeakPolarHBondContact O-CB 3.42Å; P565-E568 PolarHBondContact O-N 3.08Å; D566-E568 PolarHBondContact O-N 3.25Å; E568-L570 VanDerWaalsContact C-N 3.32Å; E568-L570 PolarHBondContact O-N 3.19Å; E568-R571 PolarHBondContact O-N 2.73Å; E568-R571 VanDerWaalsContact O-N 3.07Å; E568-M572 PolarHBondContact O-N 2.7Å; E568-M572 VanDerWaalsContact O-N 3.1Å; E568-G624 VanDerWaalsContact OE2-CA 3.28Å; E568-G624 WeakPolarHBondContact OE2-CA 3.38Å; E568-G624 PolarHBondContact OE2-N 3.38Å
569	A	94.7	Very high	93	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-56.8	-44.9	175	0	0	0	0	0	111.4	F564 P565 D566 R571 M572 W573	F564-A569 HydrophobicContact CB-CB 4.44Å; P565-A569 PolarHBondContact O-N 3.33Å; D566-A569 PolarHBondContact O-N 3.46Å; A569-R571 VanDerWaalsContact C-N 3.28Å; A569-R571 PolarHBondContact O-N 3.08Å; A569-M572 WeakPolarHBondContact O-CA 3.43Å; A569-M572 WeakPolarHBondContact O-CB 3.12Å; A569-M572 PolarHBondContact O-N 2.98Å; A569-W573 PolarHBondContact O-N 2.81Å
570	L	95.3	Very high	92.9	Very high	1 Å²	1	18.8 Å²	18.8	1%	0.005	10%	0.097	C	C	.	.	H	α-helix	trans	-63.5	-30.1	176.6	-67.1	-178.9	0	0	0	113.5	W380 P484 D566 E568 M572 W573 E574	W380-L570 HydrophobicContact CH2-CD1 4.01Å; W380-L570 HydrophobicContact CH2-CD2 3.73Å; W380-L570 HydrophobicContact CH2-CG 4.34Å; W380-L570 HydrophobicContact CZ2-CB 4.47Å; W380-L570 HydrophobicContact CZ2-CD1 4.42Å; W380-L570 HydrophobicContact CZ2-CD2 4.21Å; P484-L570 HydrophobicContact CB-CD1 4.28Å; P484-L570 HydrophobicContact CB-CD2 3.72Å; P484-L570 HydrophobicContact CG-CD2 4.22Å; D566-L570 WeakPolarHBondContact O-CG 3.38Å; D566-L570 PolarHBondContact O-N 3.37Å; E568-L570 VanDerWaalsContact C-N 3.32Å; E568-L570 PolarHBondContact O-N 3.19Å; L570-M572 VanDerWaalsContact C-N 3.34Å; L570-W573 HydrophobicContact CD2-CD2 3.89Å; L570-W573 HydrophobicContact CD2-CE3 3.39Å; L570-W573 HydrophobicContact CD2-CH2 4.45Å; L570-W573 HydrophobicContact CD2-CZ3 3.72Å; L570-W573 WeakPolarHBondContact O-CB 3.44Å; L570-W573 PolarHBondContact O-N 3.31Å; L570-E574 WeakPolarHBondContact O-CB 3.45Å; L570-E574 WeakPolarHBondContact O-CG 3.44Å; L570-E574 PolarHBondContact O-N 2.97Å
571	R	96.2	Very high	92.6	Very high	27 Å²	27	18.9 Å²	18.9	10%	0.102	10%	0.097	C	C	.	.	H	α-helix	trans	-75.5	-24.5	173.6	-70.6	176.8	69.7	-130.5	-2.4	112.7	T567 E568 A569 A575 E625 L628	T567-R571 WeakPolarHBondContact O-CG 3.29Å; E568-R571 PolarHBondContact O-N 2.73Å; E568-R571 VanDerWaalsContact O-N 3.07Å; A569-R571 VanDerWaalsContact C-N 3.28Å; A569-R571 PolarHBondContact O-N 3.08Å; R571-A575 WeakPolarHBondContact O-CB 3.45Å; R571-A575 PolarHBondContact O-N 3.41Å; R571-E625 IonicContact CZ-OE2 3.42Å; R571-E625 IonicContact NH1-OE2 2.68Å; R571-E625 PolarHBondContact NH1-OE2 3.36Å; R571-E625 IonicContact NH2-OE2 2.69Å; R571-E625 PolarHBondContact NH2-OE2 3.45Å; R571-L628 HydrophobicContact CB-CD1 4.14Å
572	M	96.3	Very high	92.6	Very high	1 Å²	1	18.2 Å²	18.2	1%	0.005	9%	0.094	C	C	.	.	H	α-helix	trans	-70.4	-40.3	166.5	-64.2	-175	-177.3	0	0	111.3	F560 F564 E568 A569 L570 A575 C576 L589 G624 V627 L628	F560-M572 HydrophobicContact CB-SD 4.33Å; F560-M572 HydrophobicContact CG-SD 4.36Å; F564-M572 HydrophobicContact CD1-CE 3.96Å; F564-M572 HydrophobicContact CD2-CE 3.94Å; F564-M572 HydrophobicContact CD2-SD 3.97Å; F564-M572 HydrophobicContact CE1-CE 3.75Å; F564-M572 HydrophobicContact CE2-CE 3.76Å; F564-M572 HydrophobicContact CE2-SD 3.93Å; F564-M572 HydrophobicContact CG-CE 4.06Å; F564-M572 HydrophobicContact CZ-CE 3.67Å; F564-M572 HydrophobicContact CZ-SD 4.42Å; E568-M572 PolarHBondContact O-N 2.7Å; E568-M572 VanDerWaalsContact O-N 3.1Å; A569-M572 WeakPolarHBondContact O-CA 3.43Å; A569-M572 WeakPolarHBondContact O-CB 3.12Å; A569-M572 PolarHBondContact O-N 2.98Å; L570-M572 VanDerWaalsContact C-N 3.34Å; M572-A575 PolarHBondContact O-N 3.14Å; M572-C576 PolarHBondContact O-N 3.24Å; M572-C576 PolarHBondContact O-SG 2.89Å; M572-C576 VanDerWaalsContact O-SG 3.35Å; M572-L589 HydrophobicContact CB-CD1 3.81Å; M572-L589 HydrophobicContact CG-CD1 4.05Å; M572-L589 HydrophobicContact CG-CD2 4.27Å; M572-L589 HydrophobicContact SD-CD1 4.02Å; M572-L589 HydrophobicContact SD-CD2 4.23Å; M572-G624 VanDerWaalsContact CE-CA 3.42Å; M572-V627 HydrophobicContact CE-CB 3.94Å; M572-V627 HydrophobicContact CE-CG1 3.8Å; M572-L628 HydrophobicContact CE-CG 4.49Å; M572-L628 HydrophobicContact CG-CD1 4.12Å; M572-L628 HydrophobicContact CG-CD2 4.19Å; M572-L628 HydrophobicContact CG-CG 3.98Å
573	W	95.8	Very high	92.5	Very high	4 Å²	4	16.4 Å²	16.4	2%	0.015	9%	0.09	C	C	.	.	H	α-helix	trans	-62.4	-51.4	176	-64.3	10	0	0	0	111.1	L481 P484 C559 K561 A569 L570 A575 C576 W577	L481-W573 HydrophobicContact CD2-CH2 4.1Å; L481-W573 HydrophobicContact CD2-CZ2 4.05Å; P484-W573 HydrophobicContact CB-CZ3 4.16Å; P484-W573 HydrophobicContact CG-CH2 3.98Å; P484-W573 HydrophobicContact CG-CZ3 3.95Å; C559-W573 HydrophobicContact CB-CZ2 3.8Å; C559-W573 PolarHBondContact O-NE1 3.1Å; K561-W573 HydrophobicContact CB-CZ2 4.14Å; K561-W573 HydrophobicContact CD-CH2 4.29Å; K561-W573 HydrophobicContact CD-CZ2 4.08Å; K561-W573 HydrophobicContact CG-CZ2 4.42Å; A569-W573 PolarHBondContact O-N 2.81Å; L570-W573 HydrophobicContact CD2-CD2 3.89Å; L570-W573 HydrophobicContact CD2-CE3 3.39Å; L570-W573 HydrophobicContact CD2-CH2 4.45Å; L570-W573 HydrophobicContact CD2-CZ3 3.72Å; L570-W573 WeakPolarHBondContact O-CB 3.44Å; L570-W573 PolarHBondContact O-N 3.31Å; W573-A575 VanDerWaalsContact C-N 3.26Å; W573-A575 PolarHBondContact O-N 3.49Å; W573-C576 PolarHBondContact O-N 2.8Å; W573-W577 HydrophobicContact CB-CD2 4.18Å; W573-W577 HydrophobicContact CB-CE3 4.27Å; W573-W577 HydrophobicContact CB-CH2 3.84Å; W573-W577 HydrophobicContact CB-CZ2 3.67Å; W573-W577 HydrophobicContact CB-CZ3 4.12Å; W573-W577 HydrophobicContact CD2-CH2 4.28Å; W573-W577 HydrophobicContact CD2-CZ2 4.01Å; W573-W577 AromaticContact CE3-CH2 3.56Å; W573-W577 HydrophobicContact CE3-CH2 3.56Å; W573-W577 AromaticContact CE3-CZ2 3.58Å; W573-W577 HydrophobicContact CE3-CZ2 3.58Å; W573-W577 HydrophobicContact CG-CH2 4.45Å; W573-W577 HydrophobicContact CG-CZ2 4.11Å; W573-W577 HydrophobicContact CZ3-CH2 4.46Å; W573-W577 HydrophobicContact CZ3-CZ2 4.47Å; W573-W577 PolarHBondContact O-N 3.45Å
574	E	96.6	Very high	92.5	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-52	-41.9	173.2	-71.3	163.8	-165.7	0	0	112.4	I366 G370 I371 R376 L570 A578	I366-E574 HydrophobicContact CG2-CB 4.18Å; I366-E574 WeakPolarHBondContact CG2-O 3.41Å; G370-E574 WeakPolarHBondContact CA-OE2 3.05Å; I371-E574 HydrophobicContact CB-CG 4.49Å; I371-E574 HydrophobicContact CD1-CB 4.45Å; I371-E574 HydrophobicContact CD1-CG 3.75Å; I371-E574 HydrophobicContact CG1-CB 4.37Å; I371-E574 HydrophobicContact CG1-CG 3.85Å; I371-E574 PolarHBondContact N-OE2 3.08Å; R376-E574 IonicContact CZ-OE1 2.9Å; R376-E574 IonicContact NE-OE1 2.69Å; R376-E574 PolarHBondContact NE-OE1 3.12Å; R376-E574 IonicContact NH2-OE1 3.89Å; R376-E574 PolarHBondContact NH2-OE1 2.67Å; L570-E574 WeakPolarHBondContact O-CB 3.45Å; L570-E574 WeakPolarHBondContact O-CG 3.44Å; L570-E574 PolarHBondContact O-N 2.97Å; E574-A578 WeakPolarHBondContact O-CB 3.38Å; E574-A578 PolarHBondContact O-N 2.86Å
575	A	95.4	Very high	92.6	Very high	1 Å²	1	17.7 Å²	17.7	1%	0.008	10%	0.095	C	C	.	.	H	α-helix	trans	-73.1	-31.3	178.6	0	0	0	0	0	113.4	F367 R571 M572 W573 F585 L628	F367-A575 HydrophobicContact CD2-CB 4.39Å; F367-A575 WeakPolarHBondContact CD2-O 3.18Å; R571-A575 WeakPolarHBondContact O-CB 3.45Å; R571-A575 PolarHBondContact O-N 3.41Å; M572-A575 PolarHBondContact O-N 3.14Å; W573-A575 VanDerWaalsContact C-N 3.26Å; W573-A575 PolarHBondContact O-N 3.49Å; A575-F585 HydrophobicContact CB-CD1 4.15Å; A575-F585 HydrophobicContact CB-CE1 3.8Å; A575-L628 HydrophobicContact CB-CD2 3.82Å
576	C	94.2	Very high	92.8	Very high	6 Å²	6	15.2 Å²	15.2	4%	0.041	8%	0.079	C	C	.	.	H	α-helix	trans	-74	-49	172.6	-66.4	0	0	0	0	111.7	F508 M572 W573 A578 H579	F508-C576 HydrophobicContact CD1-CB 4.31Å; F508-C576 HydrophobicContact CE1-CB 3.37Å; F508-C576 HydrophobicContact CZ-CB 3.83Å; M572-C576 PolarHBondContact O-N 3.24Å; M572-C576 PolarHBondContact O-SG 2.89Å; M572-C576 VanDerWaalsContact O-SG 3.35Å; W573-C576 PolarHBondContact O-N 2.8Å; C576-A578 PolarHBondContact O-N 2.79Å; C576-H579 PolarHBondContact O-N 2.65Å
577	W	93.5	Very high	93.1	Very high	1 Å²	1	12.6 Å²	12.6	0%	0.004	7%	0.065	C	C	.	.	H	α-helix	trans	-69.1	-11.3	178.5	-47.8	-39.3	0	0	0	113.4	W380 L383 L384 L485 L502 W573 H579	W380-W577 HydrophobicContact CD2-CH2 4.47Å; W380-W577 AromaticContact CD2-CZ3 3.86Å; W380-W577 HydrophobicContact CD2-CZ3 3.86Å; W380-W577 AromaticContact CE2-CZ3 3.79Å; W380-W577 HydrophobicContact CE3-CZ3 4.36Å; W380-W577 HydrophobicContact CG-CZ3 4.09Å; W380-W577 HydrophobicContact CZ2-CZ3 4.21Å; W380-W577 AromaticContact NE1-CZ3 3.98Å; L383-W577 HydrophobicContact CB-CB 3.92Å; L383-W577 HydrophobicContact CD1-CB 4.46Å; L383-W577 HydrophobicContact CD1-CE3 4.37Å; L384-W577 HydrophobicContact CD1-CH2 4.43Å; L384-W577 HydrophobicContact CD2-CD2 3.75Å; L384-W577 HydrophobicContact CD2-CE3 4.12Å; L384-W577 HydrophobicContact CD2-CG 4.15Å; L384-W577 HydrophobicContact CD2-CH2 4.2Å; L384-W577 HydrophobicContact CD2-CZ2 3.89Å; L384-W577 HydrophobicContact CD2-CZ3 4.32Å; L485-W577 HydrophobicContact CD2-CH2 4.25Å; L502-W577 HydrophobicContact CD1-CH2 4.36Å; L502-W577 HydrophobicContact CD1-CZ2 3.34Å; W573-W577 HydrophobicContact CB-CD2 4.18Å; W573-W577 HydrophobicContact CB-CE3 4.27Å; W573-W577 HydrophobicContact CB-CH2 3.84Å; W573-W577 HydrophobicContact CB-CZ2 3.67Å; W573-W577 HydrophobicContact CB-CZ3 4.12Å; W573-W577 HydrophobicContact CD2-CH2 4.28Å; W573-W577 HydrophobicContact CD2-CZ2 4.01Å; W573-W577 AromaticContact CE3-CH2 3.56Å; W573-W577 HydrophobicContact CE3-CH2 3.56Å; W573-W577 AromaticContact CE3-CZ2 3.58Å; W573-W577 HydrophobicContact CE3-CZ2 3.58Å; W573-W577 HydrophobicContact CG-CH2 4.45Å; W573-W577 HydrophobicContact CG-CZ2 4.11Å; W573-W577 HydrophobicContact CZ3-CH2 4.46Å; W573-W577 HydrophobicContact CZ3-CZ2 4.47Å; W573-W577 PolarHBondContact O-N 3.45Å; W577-H579 PolarHBondContact O-CD2 3.11Å; W577-H579 PolarHBondContact O-N 2.96Å
578	A	92.4	Very high	93.4	Very high	0 Å²	0	8.1 Å²	8.1	0%	0	4%	0.038	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-17.3	165.3	0	0	0	0	0	112.7	R363 I366 F367 E574 C576 Y580	R363-A578 WeakPolarHBondContact CB-O 3.3Å; R363-A578 VanDerWaalsContact CD-O 3.3Å; R363-A578 WeakPolarHBondContact CD-O 3.34Å; R363-A578 VanDerWaalsContact CG-O 3.3Å; R363-A578 WeakPolarHBondContact CG-O 3.47Å; R363-A578 WeakPolarHBondContact O-CB 3.08Å; I366-A578 HydrophobicContact CB-CB 4.4Å; I366-A578 HydrophobicContact CG2-CB 4.17Å; F367-A578 HydrophobicContact CB-CB 3.9Å; F367-A578 HydrophobicContact CD2-CB 4.49Å; E574-A578 WeakPolarHBondContact O-CB 3.38Å; E574-A578 PolarHBondContact O-N 2.86Å; C576-A578 PolarHBondContact O-N 2.79Å; A578-Y580 PolarHBondContact O-N 3.43Å
579	H	88.9	Confident	93.6	Very high	13 Å²	13	5.9 Å²	5.9	6%	0.06	3%	0.027	C	C	.	.	T	Hydrogen-bonded Turn	trans	47.3	41.9	176.3	-74.9	-81.8	0	0	0	112.1	R363 C576 W577 D583 C655	R363-H579 VanDerWaalsContact NH1-CB 3.28Å; C576-H579 PolarHBondContact O-N 2.65Å; W577-H579 PolarHBondContact O-CD2 3.11Å; W577-H579 PolarHBondContact O-N 2.96Å; H579-D583 IonicContact CE1-OD1 3.23Å; H579-D583 IonicContact CG-OD1 2.71Å; H579-D583 IonicContact ND1-OD1 2.95Å; H579-D583 PolarHBondContact ND1-OD1 3.07Å; H579-C655 HydrophobicContact CB-CB 3.91Å; H579-C655 VanDerWaalsContact O-CB 3.25Å; H579-C655 WeakPolarHBondContact O-CB 3.46Å
580	Y	88.5	Confident	93.7	Very high	2 Å²	2	5.9 Å²	5.9	1%	0.008	3%	0.027	C	C	.	.			trans	-93.7	109.7	-172.1	176.8	-95.7	0	0	0	110.2	Y360 K364 F367 F368 A578 T582 R663	Y360-Y580 HydrophobicContact CE2-CD2 4.21Å; Y360-Y580 AromaticContact CE2-CE2 3.8Å; Y360-Y580 HydrophobicContact CE2-CE2 3.8Å; Y360-Y580 AromaticContact CZ-CE2 3.79Å; K364-Y580 HydrophobicContact CB-CD2 3.86Å; K364-Y580 HydrophobicContact CB-CE2 3.69Å; K364-Y580 HydrophobicContact CD-CE2 3.7Å; K364-Y580 WeakPolarHBondContact CE-OH 3.47Å; K364-Y580 HydrophobicContact CG-CD2 4.1Å; K364-Y580 HydrophobicContact CG-CE2 3.51Å; F367-Y580 HydrophobicContact CB-CD1 4.22Å; F367-Y580 HydrophobicContact CB-CG 4Å; F367-Y580 AromaticContact CD1-CD1 3.29Å; F367-Y580 HydrophobicContact CD1-CD1 3.29Å; F367-Y580 AromaticContact CD1-CE1 3.82Å; F367-Y580 HydrophobicContact CD1-CE1 3.82Å; F367-Y580 AromaticContact CD1-CG 3.97Å; F367-Y580 HydrophobicContact CD1-CG 3.97Å; F367-Y580 HydrophobicContact CD2-CD1 4.04Å; F367-Y580 HydrophobicContact CD2-CG 4.26Å; F367-Y580 AromaticContact CE1-CD1 3.49Å; F367-Y580 HydrophobicContact CE1-CD1 3.49Å; F367-Y580 VanDerWaalsContact CE1-CD1 3.49Å; F367-Y580 AromaticContact CE1-CE1 3.9Å; F367-Y580 HydrophobicContact CE1-CE1 3.9Å; F367-Y580 HydrophobicContact CE2-CD1 4.21Å; F367-Y580 AromaticContact CG-CD1 3.58Å; F367-Y580 HydrophobicContact CG-CD1 3.58Å; F367-Y580 AromaticContact CG-CG 3.81Å; F367-Y580 HydrophobicContact CG-CG 3.81Å; F367-Y580 AromaticContact CZ-CD1 3.95Å; F367-Y580 HydrophobicContact CZ-CD1 3.95Å; F368-Y580 AromaticContact CE2-CE1 3.88Å; F368-Y580 HydrophobicContact CE2-CE1 3.88Å; F368-Y580 HydrophobicContact CZ-CE1 4.08Å; A578-Y580 PolarHBondContact O-N 3.43Å; Y580-T582 PolarHBondContact O-N 2.91Å; Y580-R663 PolarHBondContact OH-NH2 3.32Å
581	Q	86.6	Confident	93.8	Very high	3 Å²	3	5.8 Å²	5.8	1%	0.014	3%	0.027	C	C	.	.	S	Bend	trans	62	-4.9	-179.6	-53	-174.3	-69.7	0	0	116.6	L635 R639 D661 R663	Q581-L635 HydrophobicContact CB-CD2 4.45Å; Q581-R639 PolarHBondContact O-NE 3.34Å; Q581-R639 PolarHBondContact O-NH2 3.05Å; Q581-D661 PolarHBondContact NE2-OD2 3.36Å; Q581-R663 VanDerWaalsContact NE2-CD 3.3Å; Q581-R663 VanDerWaalsContact NE2-NE 3.1Å
582	T	89.2	Confident	93.9	Very high	1 Å²	1	4.5 Å²	4.5	1%	0.006	2%	0.022	C	C	.	.			trans	-165.2	148.5	165.2	-167	0	0	0	0	110.5	Y580 Y584 F585 F588 L635 L651 C655	Y580-T582 PolarHBondContact O-N 2.91Å; T582-Y584 VanDerWaalsContact C-N 3.25Å; T582-Y584 PolarHBondContact OG1-N 2.87Å; T582-F585 HydrophobicContact CG2-CB 4.13Å; T582-F588 HydrophobicContact CG2-CD2 4.34Å; T582-F588 HydrophobicContact CG2-CE2 4.14Å; T582-L635 HydrophobicContact CG2-CD1 3.66Å; T582-L635 HydrophobicContact CG2-CD2 4.02Å; T582-L651 WeakPolarHBondContact CB-O 3.34Å; T582-L651 PolarHBondContact OG1-O 3.43Å; T582-C655 VanDerWaalsContact CA-SG 3.59Å
583	D	88.5	Confident	93.9	Very high	34 Å²	34	4.5 Å²	4.5	18%	0.182	2%	0.022	C	C	.	.	S	Bend	trans	-82.1	-8	170.2	-52.1	-64.6	0	0	0	112.2	I507 H579 C655	I507-D583 HydrophobicContact CD1-CB 3.54Å; I507-D583 HydrophobicContact CG1-CB 4.5Å; H579-D583 IonicContact CE1-OD1 3.23Å; H579-D583 IonicContact CG-OD1 2.71Å; H579-D583 IonicContact ND1-OD1 2.95Å; H579-D583 PolarHBondContact ND1-OD1 3.07Å; D583-C655 WeakPolarHBondContact OD1-CB 3.28Å; D583-C655 PolarHBondContact OD1-SG 2.93Å; D583-C655 PolarHBondContact OD2-SG 3.46Å; D583-C655 VanDerWaalsContact OD2-SG 3.36Å
584	Y	92.3	Very high	93.9	Very high	27 Å²	27	4.4 Å²	4.4	11%	0.106	2%	0.022	C	C	.	.			trans	-105.4	28.5	-173.5	-63.7	-88.8	0	0	0	113.3	I507 Y523 T582 H586 L587 D650 L651	I507-Y584 HydrophobicContact CD1-CE1 4.39Å; I507-Y584 HydrophobicContact CD1-CE2 4.23Å; I507-Y584 HydrophobicContact CG2-CD1 4.26Å; I507-Y584 HydrophobicContact CG2-CE1 3.65Å; Y523-Y584 HydrophobicContact CD2-CD1 4.06Å; Y523-Y584 AromaticContact CD2-CE1 3.82Å; Y523-Y584 HydrophobicContact CD2-CE1 3.82Å; Y523-Y584 HydrophobicContact CE2-CD1 4.15Å; Y523-Y584 AromaticContact CE2-CE1 3.47Å; Y523-Y584 HydrophobicContact CE2-CE1 3.47Å; Y523-Y584 VanDerWaalsContact CE2-CE1 3.47Å; Y523-Y584 AromaticContact CE2-CZ 3.82Å; T582-Y584 VanDerWaalsContact C-N 3.25Å; T582-Y584 PolarHBondContact OG1-N 2.87Å; Y584-H586 VanDerWaalsContact C-ND1 3.34Å; Y584-H586 WeakPolarHBondContact CA-ND1 3.21Å; Y584-H586 AromaticContact CD1-CE1 3.9Å; Y584-H586 PolarHBondContact O-N 3.44Å; Y584-L587 HydrophobicContact CD1-CD1 4.06Å; Y584-L587 HydrophobicContact CG-CD1 4.47Å; Y584-L587 WeakPolarHBondContact O-CB 3.35Å; Y584-L587 PolarHBondContact O-N 3.03Å; Y584-D650 HydrophobicContact CE2-CB 4.33Å; Y584-L651 HydrophobicContact CD2-CD1 4.2Å; Y584-L651 HydrophobicContact CD2-CG 4.13Å; Y584-L651 HydrophobicContact CG-CD1 4.21Å; Y584-L651 HydrophobicContact CG-CG 4.09Å
585	F	94.4	Very high	93.8	Very high	2 Å²	2	6.5 Å²	6.5	1%	0.009	3%	0.034	C	C	.	.	H	α-helix	trans	-62	-27.8	-173.2	-175.3	-119.3	0	0	0	113.1	F367 A575 T582 L587 F588 L589 L628 A631 R632 L635	F367-F585 AromaticContact CE2-CD1 3.9Å; F367-F585 HydrophobicContact CE2-CD1 3.9Å; F367-F585 AromaticContact CE2-CD2 3.81Å; F367-F585 HydrophobicContact CE2-CD2 3.81Å; F367-F585 AromaticContact CE2-CE1 3.84Å; F367-F585 HydrophobicContact CE2-CE1 3.84Å; F367-F585 AromaticContact CE2-CE2 3.75Å; F367-F585 HydrophobicContact CE2-CE2 3.75Å; F367-F585 AromaticContact CE2-CG 3.89Å; F367-F585 HydrophobicContact CE2-CG 3.89Å; F367-F585 AromaticContact CE2-CZ 3.77Å; F367-F585 HydrophobicContact CE2-CZ 3.77Å; F367-F585 HydrophobicContact CZ-CD2 4.06Å; F367-F585 HydrophobicContact CZ-CE1 4.4Å; F367-F585 AromaticContact CZ-CE2 3.67Å; F367-F585 HydrophobicContact CZ-CE2 3.67Å; F367-F585 AromaticContact CZ-CZ 3.86Å; F367-F585 HydrophobicContact CZ-CZ 3.86Å; A575-F585 HydrophobicContact CB-CD1 4.15Å; A575-F585 HydrophobicContact CB-CE1 3.8Å; T582-F585 HydrophobicContact CG2-CB 4.13Å; F585-L587 PolarHBondContact O-N 3.43Å; F585-F588 HydrophobicContact CD2-CB 4.16Å; F585-F588 HydrophobicContact CE2-CB 4.29Å; F585-F588 WeakPolarHBondContact O-CA 3.29Å; F585-F588 WeakPolarHBondContact O-CB 3.33Å; F585-F588 PolarHBondContact O-N 3.25Å; F585-L589 HydrophobicContact CE1-CD2 4.16Å; F585-L589 HydrophobicContact CE1-CG 4.31Å; F585-L589 HydrophobicContact CZ-CD2 4.43Å; F585-L589 PolarHBondContact O-N 3.05Å; F585-L589 VanDerWaalsContact O-N 3.11Å; F585-L628 HydrophobicContact CE1-CD2 4.06Å; F585-A631 HydrophobicContact CE2-CB 3.83Å; F585-A631 HydrophobicContact CZ-CB 3.67Å; F585-R632 HydrophobicContact CE2-CG 4.45Å; F585-R632 HydrophobicContact CZ-CG 4.01Å; F585-L635 HydrophobicContact CD2-CD2 4Å; F585-L635 HydrophobicContact CE2-CD2 4.35Å
586	H	94.8	Very high	93.5	Very high	0 Å²	0	7.7 Å²	7.7	0%	0	4%	0.04	C	C	.	.	H	α-helix	trans	-57.5	-33.1	172	63.8	-72.6	0	0	0	113.6	F508 Q520 F560 Y584 F588 L589 C590	F508-H586 HydrophobicContact CB-CB 3.95Å; F508-H586 WeakPolarHBondContact CB-CD2 3.36Å; F508-H586 VanDerWaalsContact CB-CG 3.4Å; F508-H586 WeakPolarHBondContact CB-NE2 3.14Å; F508-H586 HydrophobicContact CD1-CB 4.06Å; F508-H586 AromaticContact CD1-ND1 3.93Å; F508-H586 HydrophobicContact CD2-CB 4.45Å; F508-H586 HydrophobicContact CG-CB 3.94Å; F508-H586 AromaticContact CG-CG 3.88Å; Q520-H586 PolarHBondContact OE1-NE2 2.82Å; F560-H586 HydrophobicContact CE2-CB 4.02Å; F560-H586 HydrophobicContact CZ-CB 4.26Å; Y584-H586 VanDerWaalsContact C-ND1 3.34Å; Y584-H586 WeakPolarHBondContact CA-ND1 3.21Å; Y584-H586 AromaticContact CD1-CE1 3.9Å; Y584-H586 PolarHBondContact O-N 3.44Å; H586-F588 VanDerWaalsContact C-N 3.28Å; H586-F588 PolarHBondContact O-N 2.88Å; H586-L589 WeakPolarHBondContact O-CB 3.28Å; H586-L589 PolarHBondContact O-N 3.15Å; H586-L589 VanDerWaalsContact O-N 3.16Å; H586-C590 PolarHBondContact O-N 3.05Å; H586-C590 PolarHBondContact O-SG 3.27Å; H586-C590 VanDerWaalsContact O-SG 3.4Å
587	L	96	Very high	93.3	Very high	0 Å²	0	7.7 Å²	7.7	0%	0	4%	0.039	C	C	.	.	H	α-helix	trans	-67.5	-33.6	175.9	-56.8	-175	0	0	0	111	Q520 Y523 L524 L527 I556 Y584 F585 L589 C590 V591	Q520-L587 HydrophobicContact CB-CD2 4.25Å; Y523-L587 VanDerWaalsContact CB-CD1 3.46Å; Y523-L587 HydrophobicContact CD2-CD1 4.14Å; Y523-L587 HydrophobicContact CG-CD1 4.24Å; L524-L587 HydrophobicContact CB-CD2 4.46Å; L527-L587 HydrophobicContact CD1-CB 3.76Å; L527-L587 HydrophobicContact CD1-CD1 4.35Å; I556-L587 HydrophobicContact CD1-CD2 4.46Å; Y584-L587 HydrophobicContact CD1-CD1 4.06Å; Y584-L587 HydrophobicContact CG-CD1 4.47Å; Y584-L587 WeakPolarHBondContact O-CB 3.35Å; Y584-L587 PolarHBondContact O-N 3.03Å; F585-L587 PolarHBondContact O-N 3.43Å; L587-L589 VanDerWaalsContact C-N 3.35Å; L587-C590 WeakPolarHBondContact O-CB 3.42Å; L587-C590 PolarHBondContact O-N 2.94Å; L587-V591 WeakPolarHBondContact O-CG2 3.39Å; L587-V591 PolarHBondContact O-N 2.89Å
588	F	97.4	Very high	93.1	Very high	0 Å²	0	7.7 Å²	7.7	0%	0	4%	0.04	C	C	.	.	H	α-helix	trans	-71.7	-28.5	173.1	-64	-88.2	0	0	0	112.2	L527 M531 T582 F585 H586 A592 A631 L634 L635 F638 L651	L527-F588 HydrophobicContact CD1-CZ 4.39Å; L527-F588 HydrophobicContact CD2-CE1 3.96Å; L527-F588 HydrophobicContact CD2-CZ 3.94Å; M531-F588 HydrophobicContact SD-CE1 4.42Å; T582-F588 HydrophobicContact CG2-CD2 4.34Å; T582-F588 HydrophobicContact CG2-CE2 4.14Å; F585-F588 HydrophobicContact CD2-CB 4.16Å; F585-F588 HydrophobicContact CE2-CB 4.29Å; F585-F588 WeakPolarHBondContact O-CA 3.29Å; F585-F588 WeakPolarHBondContact O-CB 3.33Å; F585-F588 PolarHBondContact O-N 3.25Å; H586-F588 VanDerWaalsContact C-N 3.28Å; H586-F588 PolarHBondContact O-N 2.88Å; F588-A592 WeakPolarHBondContact O-CB 3.4Å; F588-A592 PolarHBondContact O-N 3.41Å; F588-A631 HydrophobicContact CB-CB 4.15Å; F588-A631 WeakPolarHBondContact O-CB 3.46Å; F588-L634 HydrophobicContact CD1-CB 4Å; F588-L635 HydrophobicContact CD1-CB 4.16Å; F588-L635 HydrophobicContact CD2-CD1 4.27Å; F588-L635 HydrophobicContact CE1-CB 4.4Å; F588-L635 HydrophobicContact CE1-CD1 4.37Å; F588-L635 HydrophobicContact CE2-CD1 3.84Å; F588-L635 HydrophobicContact CG-CB 4.25Å; F588-L635 HydrophobicContact CZ-CD1 3.89Å; F588-F638 HydrophobicContact CE1-CB 3.77Å; F588-F638 HydrophobicContact CE1-CD1 4.23Å; F588-F638 HydrophobicContact CE1-CG 4Å; F588-F638 HydrophobicContact CZ-CB 4.12Å; F588-F638 AromaticContact CZ-CD1 3.68Å; F588-F638 HydrophobicContact CZ-CD1 3.68Å; F588-F638 HydrophobicContact CZ-CE1 4.22Å; F588-F638 AromaticContact CZ-CG 3.88Å; F588-F638 HydrophobicContact CZ-CG 3.88Å; F588-L651 HydrophobicContact CE2-CD2 4.23Å; F588-L651 HydrophobicContact CZ-CD2 4.27Å
589	L	97.8	Very high	92.7	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	7%	0.067	C	C	.	.	H	α-helix	trans	-65.2	-45.7	166.5	-62.3	172	0	0	0	111.2	F560 M572 F585 H586 L587 V591 A592 I593 V627 L628 A631	F560-L589 HydrophobicContact CD2-CD1 4.21Å; F560-L589 HydrophobicContact CE1-CB 4.11Å; F560-L589 HydrophobicContact CE2-CB 4.2Å; F560-L589 HydrophobicContact CE2-CD1 3.74Å; F560-L589 HydrophobicContact CZ-CB 3.71Å; F560-L589 HydrophobicContact CZ-CD1 4.15Å; M572-L589 HydrophobicContact CB-CD1 3.81Å; M572-L589 HydrophobicContact CG-CD1 4.05Å; M572-L589 HydrophobicContact CG-CD2 4.27Å; M572-L589 HydrophobicContact SD-CD1 4.02Å; M572-L589 HydrophobicContact SD-CD2 4.23Å; F585-L589 HydrophobicContact CE1-CD2 4.16Å; F585-L589 HydrophobicContact CE1-CG 4.31Å; F585-L589 HydrophobicContact CZ-CD2 4.43Å; F585-L589 PolarHBondContact O-N 3.05Å; F585-L589 VanDerWaalsContact O-N 3.11Å; H586-L589 WeakPolarHBondContact O-CB 3.28Å; H586-L589 PolarHBondContact O-N 3.15Å; H586-L589 VanDerWaalsContact O-N 3.16Å; L587-L589 VanDerWaalsContact C-N 3.35Å; L589-V591 PolarHBondContact O-N 3.38Å; L589-A592 WeakPolarHBondContact O-CB 3.47Å; L589-A592 PolarHBondContact O-N 2.85Å; L589-I593 WeakPolarHBondContact O-CG1 3.37Å; L589-I593 PolarHBondContact O-N 3.43Å; L589-V627 HydrophobicContact CD2-CG1 3.97Å; L589-L628 HydrophobicContact CD2-CD2 4.08Å; L589-L628 HydrophobicContact CD2-CG 4.4Å; L589-A631 HydrophobicContact CD2-CB 3.71Å; L589-A631 HydrophobicContact CG-CB 4.3Å
590	C	97.8	Very high	92.2	Very high	0 Å²	0	13.3 Å²	13.3	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-58	-47.7	174.5	-65.7	0	0	0	0	112	L524 W555 H586 L587 I593 I594	L524-C590 HydrophobicContact CD1-CB 3.89Å; L524-C590 HydrophobicContact CD2-CB 3.94Å; W555-C590 HydrophobicContact CE3-CB 4.26Å; W555-C590 HydrophobicContact CZ3-CB 4.46Å; H586-C590 PolarHBondContact O-N 3.05Å; H586-C590 PolarHBondContact O-SG 3.27Å; H586-C590 VanDerWaalsContact O-SG 3.4Å; L587-C590 WeakPolarHBondContact O-CB 3.42Å; L587-C590 PolarHBondContact O-N 2.94Å; C590-I593 PolarHBondContact O-N 3.41Å; C590-I594 WeakPolarHBondContact O-CD1 3.5Å; C590-I594 VanDerWaalsContact O-CG1 3.3Å; C590-I594 WeakPolarHBondContact O-CG1 3.47Å; C590-I594 PolarHBondContact O-N 3.39Å; C590-I594 VanDerWaalsContact O-N 3.14Å
591	V	98.2	Very high	92.1	Very high	0 Å²	0	13.2 Å²	13.2	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-62.4	-42.8	175.2	179.4	0	0	0	0	110.7	L524 L527 L528 L532 L587 L589 I593 I594 V595 L634	L524-V591 HydrophobicContact CD1-CG2 3.6Å; L527-V591 HydrophobicContact CB-CG2 4.02Å; L527-V591 HydrophobicContact CD1-CG2 4.42Å; L528-V591 HydrophobicContact CD2-CG2 4.28Å; L532-V591 HydrophobicContact CD1-CG1 3.9Å; L532-V591 HydrophobicContact CG-CG1 4.36Å; L587-V591 WeakPolarHBondContact O-CG2 3.39Å; L587-V591 PolarHBondContact O-N 2.89Å; L589-V591 PolarHBondContact O-N 3.38Å; V591-I593 PolarHBondContact O-N 2.82Å; V591-I594 CarbonylContact O-C 3.51Å; V591-I594 WeakPolarHBondContact O-CA 3.39Å; V591-I594 PolarHBondContact O-N 3.04Å; V591-I594 VanDerWaalsContact O-N 3.08Å; V591-V595 HydrophobicContact CG1-CG2 4.37Å; V591-V595 WeakPolarHBondContact O-CG2 3.32Å; V591-V595 PolarHBondContact O-N 2.95Å; V591-L634 HydrophobicContact CB-CD1 4.2Å; V591-L634 HydrophobicContact CG1-CD1 3.81Å; V591-L634 HydrophobicContact CG1-CD2 4.45Å
592	A	97.7	Very high	92.1	Very high	0 Å²	0	13.9 Å²	13.9	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-59.7	-42.9	178.3	0	0	0	0	0	113.2	F588 L589 I594 V595 L596 V627 K630 A631 L634	F588-A592 WeakPolarHBondContact O-CB 3.4Å; F588-A592 PolarHBondContact O-N 3.41Å; L589-A592 WeakPolarHBondContact O-CB 3.47Å; L589-A592 PolarHBondContact O-N 2.85Å; A592-I594 VanDerWaalsContact C-N 3.29Å; A592-I594 PolarHBondContact O-N 2.86Å; A592-V595 PolarHBondContact O-N 3.13Å; A592-L596 WeakPolarHBondContact O-CB 3.36Å; A592-L596 WeakPolarHBondContact O-CG 3.3Å; A592-L596 PolarHBondContact O-N 3.16Å; A592-V627 HydrophobicContact CB-CG1 4.09Å; A592-V627 WeakPolarHBondContact CB-O 3.22Å; A592-K630 HydrophobicContact CB-CB 3.96Å; A592-K630 HydrophobicContact CB-CG 3.97Å; A592-A631 HydrophobicContact CB-CB 3.95Å; A592-L634 HydrophobicContact CB-CD1 3.97Å
593	I	96.6	Very high	91.8	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-60	-42.3	173.5	-66.1	164.2	0	0	0	110.3	W555 F560 F564 L589 C590 V591 L596 Y597 F615 M622 V627	W555-I593 HydrophobicContact CD2-CD1 4.37Å; W555-I593 HydrophobicContact CE3-CD1 4.1Å; W555-I593 HydrophobicContact CH2-CB 4.04Å; W555-I593 HydrophobicContact CH2-CG2 3.33Å; W555-I593 HydrophobicContact CZ2-CG2 3.74Å; W555-I593 HydrophobicContact CZ3-CB 4Å; W555-I593 HydrophobicContact CZ3-CD1 4.25Å; W555-I593 HydrophobicContact CZ3-CG2 3.81Å; F560-I593 HydrophobicContact CD1-CD1 3.99Å; F560-I593 HydrophobicContact CE1-CD1 3.96Å; F564-I593 HydrophobicContact CE2-CD1 4Å; F564-I593 HydrophobicContact CZ-CD1 3.96Å; F564-I593 HydrophobicContact CZ-CG1 4.16Å; L589-I593 WeakPolarHBondContact O-CG1 3.37Å; L589-I593 PolarHBondContact O-N 3.43Å; C590-I593 PolarHBondContact O-N 3.41Å; V591-I593 PolarHBondContact O-N 2.82Å; I593-L596 PolarHBondContact O-N 2.64Å; I593-Y597 HydrophobicContact CG2-CD2 4.13Å; I593-Y597 WeakPolarHBondContact O-CB 3.49Å; I593-Y597 WeakPolarHBondContact O-CD2 3.31Å; I593-Y597 PolarHBondContact O-N 3.37Å; I593-F615 HydrophobicContact CG2-CD1 4.37Å; I593-F615 HydrophobicContact CG2-CE1 4.2Å; I593-M622 HydrophobicContact CG1-SD 4.38Å; I593-M622 HydrophobicContact CG2-SD 3.64Å; I593-V627 HydrophobicContact CD1-CG1 4.44Å; I593-V627 HydrophobicContact CG1-CG1 3.8Å; I593-V627 HydrophobicContact CG1-CG2 4Å
594	I	96.2	Very high	91.3	Very high	3 Å²	3	20.5 Å²	20.5	2%	0.015	10%	0.1	C	C	.	.	H	α-helix	trans	-68.5	-33.5	177.9	-64	163.7	0	0	0	111.9	L528 L532 F535 F551 W555 C590 V591 A592 G598 F615	L528-I594 HydrophobicContact CD1-CD1 4.12Å; L528-I594 HydrophobicContact CD2-CB 4.47Å; L528-I594 HydrophobicContact CD2-CD1 3.89Å; L528-I594 HydrophobicContact CD2-CG2 4.07Å; L532-I594 HydrophobicContact CD1-CB 4.3Å; L532-I594 HydrophobicContact CD1-CG2 3.8Å; F535-I594 HydrophobicContact CD1-CG2 3.86Å; F535-I594 HydrophobicContact CD2-CG2 3.61Å; F535-I594 HydrophobicContact CE1-CG2 3.81Å; F535-I594 HydrophobicContact CE2-CG2 3.58Å; F535-I594 HydrophobicContact CG-CG2 3.77Å; F535-I594 HydrophobicContact CZ-CG2 3.68Å; F551-I594 HydrophobicContact CE2-CD1 3.91Å; F551-I594 HydrophobicContact CE2-CG1 4.18Å; F551-I594 HydrophobicContact CZ-CD1 4.22Å; W555-I594 HydrophobicContact CH2-CG1 4.3Å; W555-I594 HydrophobicContact CZ3-CD1 4.45Å; W555-I594 HydrophobicContact CZ3-CG1 4.2Å; C590-I594 WeakPolarHBondContact O-CD1 3.5Å; C590-I594 VanDerWaalsContact O-CG1 3.3Å; C590-I594 WeakPolarHBondContact O-CG1 3.47Å; C590-I594 PolarHBondContact O-N 3.39Å; C590-I594 VanDerWaalsContact O-N 3.14Å; V591-I594 CarbonylContact O-C 3.51Å; V591-I594 WeakPolarHBondContact O-CA 3.39Å; V591-I594 PolarHBondContact O-N 3.04Å; V591-I594 VanDerWaalsContact O-N 3.08Å; A592-I594 VanDerWaalsContact C-N 3.29Å; A592-I594 PolarHBondContact O-N 2.86Å; I594-G598 WeakPolarHBondContact O-CA 3.45Å; I594-G598 PolarHBondContact O-N 3.03Å; I594-F615 HydrophobicContact CG1-CZ 4.18Å
595	V	93.6	Very high	90.9	Very high	44 Å²	44	23 Å²	23	27%	0.267	11%	0.113	S	C	.	.	H	α-helix	trans	-66.2	-50.5	172.1	-175.2	0	0	0	0	111.3	L532 V591 A592 K630 L634	L532-V595 HydrophobicContact CD1-CG2 3.69Å; L532-V595 HydrophobicContact CD2-CG2 3.72Å; L532-V595 HydrophobicContact CG-CG2 4.22Å; V591-V595 HydrophobicContact CG1-CG2 4.37Å; V591-V595 WeakPolarHBondContact O-CG2 3.32Å; V591-V595 PolarHBondContact O-N 2.95Å; A592-V595 PolarHBondContact O-N 3.13Å; V595-K630 VanDerWaalsContact CG1-CE 3.46Å; V595-L634 HydrophobicContact CG2-CD1 4.22Å
596	L	89.6	Confident	90.5	Very high	25 Å²	25	23.9 Å²	23.9	13%	0.131	12%	0.117	C	C	.	.	H	α-helix	trans	-72.4	-37.3	-170.9	-68.2	168.1	0	0	0	112.2	Q322 L326 A592 I593 L626 V627 K630	Q322-L596 PolarHBondContact NE2-O 2.94Å; Q322-L596 PolarHBondContact OE1-O 3.2Å; L326-L596 HydrophobicContact CD2-CD2 4.09Å; A592-L596 WeakPolarHBondContact O-CB 3.36Å; A592-L596 WeakPolarHBondContact O-CG 3.3Å; A592-L596 PolarHBondContact O-N 3.16Å; I593-L596 PolarHBondContact O-N 2.64Å; L596-L626 HydrophobicContact CD1-CB 4.46Å; L596-L626 HydrophobicContact CD1-CD2 4.08Å; L596-L626 HydrophobicContact CD1-CG 3.84Å; L596-L626 HydrophobicContact CD2-CD2 3.89Å; L596-L626 HydrophobicContact CD2-CG 4Å; L596-V627 HydrophobicContact CD1-CB 4.4Å; L596-V627 HydrophobicContact CD1-CG2 3.75Å; L596-K630 HydrophobicContact CD1-CB 4.16Å; L596-K630 HydrophobicContact CD1-CG 4.44Å; L596-K630 HydrophobicContact CG-CG 4.35Å
597	Y	89.4	Confident	90.2	Very high	6 Å²	6	25.4 Å²	25.4	2%	0.024	13%	0.13	C	C	.	.	H	α-helix	trans	-122.3	0.8	-170.1	-51.7	-75.1	0	0	0	114.2	F258 Q322 I593 H614 L618 M622 N623 V627	F258-Y597 HydrophobicContact CE1-CE1 4.17Å; Q322-Y597 HydrophobicContact CB-CE1 4.42Å; Q322-Y597 VanDerWaalsContact CD-CD1 3.45Å; Q322-Y597 VanDerWaalsContact CD-CE1 3.41Å; Q322-Y597 HydrophobicContact CG-CD1 4.03Å; Q322-Y597 HydrophobicContact CG-CE1 3.77Å; Q322-Y597 VanDerWaalsContact OE1-CE1 3.31Å; I593-Y597 HydrophobicContact CG2-CD2 4.13Å; I593-Y597 WeakPolarHBondContact O-CB 3.49Å; I593-Y597 WeakPolarHBondContact O-CD2 3.31Å; I593-Y597 PolarHBondContact O-N 3.37Å; Y597-H614 PolarHBondContact O-CE1 2.69Å; Y597-H614 PolarHBondContact O-NE2 2.87Å; Y597-L618 HydrophobicContact CD1-CD1 4.41Å; Y597-L618 HydrophobicContact CD1-CD2 4.34Å; Y597-L618 HydrophobicContact CG-CD1 4.09Å; Y597-M622 HydrophobicContact CD2-CG 3.88Å; Y597-M622 HydrophobicContact CD2-SD 3.83Å; Y597-M622 HydrophobicContact CE1-CG 4.29Å; Y597-M622 HydrophobicContact CE2-CB 3.84Å; Y597-M622 HydrophobicContact CE2-CG 3.57Å; Y597-M622 HydrophobicContact CE2-SD 3.95Å; Y597-M622 HydrophobicContact CG-CG 4.37Å; Y597-N623 PolarHBondContact OH-N 3.27Å; Y597-V627 HydrophobicContact CE2-CG2 4.01Å
598	G	89.1	Confident	90	Very high	2 Å²	2	26.9 Å²	26.9	2%	0.021	14%	0.139	C	C	.	.			trans	-99	3.8	-176.9	0	0	0	0	0	116.2	I594 V601	I594-G598 WeakPolarHBondContact O-CA 3.45Å; I594-G598 PolarHBondContact O-N 3.03Å; G598-V601 WeakPolarHBondContact O-CB 3.47Å; G598-V601 PolarHBondContact O-N 3.37Å
599	E	84.8	Confident	89.6	Confident	121 Å²	121	31.8 Å²	31.8	57%	0.565	17%	0.166	S	C	*	.	H	α-helix	trans	-59.9	-53.2	179.1	-179.9	164.7	-122.5	0	0	111.8	V601 T602 E603	E599-V601 PolarHBondContact O-N 2.85Å; E599-V601 VanDerWaalsContact O-N 3.14Å; E599-T602 PolarHBondContact O-N 2.86Å; E599-T602 PolarHBondContact O-OG1 3.02Å; E599-E603 HydrophobicContact CG-CG 4.06Å; E599-E603 PolarHBondContact O-N 3.4Å
600	D	78.2	Confident	89.1	Confident	9 Å²	9	36 Å²	36	5%	0.048	19%	0.185	C	C	.	.	H	α-helix	trans	-48.1	-40.7	178	-83.7	-54.2	0	0	0	113.3	Q318 S320 T602 E603 Q604	Q318-D600 HydrophobicContact CG-CB 4.37Å; Q318-D600 WeakPolarHBondContact CG-OD2 3.46Å; Q318-D600 PolarHBondContact NE2-OD2 3.3Å; S320-D600 WeakPolarHBondContact CB-OD2 3.37Å; S320-D600 PolarHBondContact OG-OD2 3.27Å; D600-T602 VanDerWaalsContact C-N 3.26Å; D600-T602 PolarHBondContact O-N 2.82Å; D600-E603 PolarHBondContact O-N 2.86Å; D600-Q604 WeakPolarHBondContact O-CB 3.39Å; D600-Q604 WeakPolarHBondContact O-CG 3.42Å; D600-Q604 PolarHBondContact O-N 2.68Å; D600-Q604 PolarHBondContact OD1-NE2 2.68Å; D600-Q604 VanDerWaalsContact OD1-NE2 3.07Å
601	V	86.9	Confident	88.7	Confident	0 Å²	0	36 Å²	36	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-54.5	-45.8	177	171.5	0	0	0	0	110.7	F535 H538 G598 E599 Q605 L606 M611 F615	F535-V601 HydrophobicContact CE2-CB 3.91Å; F535-V601 HydrophobicContact CE2-CG1 3.77Å; F535-V601 HydrophobicContact CE2-CG2 4.27Å; F535-V601 HydrophobicContact CZ-CG1 4.16Å; H538-V601 WeakPolarHBondContact NE2-CG1 3.44Å; G598-V601 WeakPolarHBondContact O-CB 3.47Å; G598-V601 PolarHBondContact O-N 3.37Å; E599-V601 PolarHBondContact O-N 2.85Å; E599-V601 VanDerWaalsContact O-N 3.14Å; V601-Q605 WeakPolarHBondContact O-CA 3.35Å; V601-Q605 PolarHBondContact O-N 2.85Å; V601-L606 HydrophobicContact CG2-CD1 4.17Å; V601-L606 PolarHBondContact O-N 3.21Å; V601-M611 HydrophobicContact CG1-CE 3.74Å; V601-M611 HydrophobicContact CG1-CG 3.65Å; V601-M611 HydrophobicContact CG1-SD 3.62Å; V601-M611 HydrophobicContact CG2-CG 4.31Å; V601-F615 HydrophobicContact CG2-CE2 4.15Å; V601-F615 HydrophobicContact CG2-CZ 4.43Å
602	T	86.6	Confident	88.4	Confident	17 Å²	17	39.5 Å²	39.5	10%	0.104	20%	0.203	C	C	.	.	H	α-helix	trans	-84	-28.6	-176	72.2	0	0	0	0	113.4	F535 E599 D600 Q605	F535-T602 HydrophobicContact CB-CG2 4.07Å; F535-T602 HydrophobicContact CD2-CG2 3.53Å; F535-T602 HydrophobicContact CE2-CG2 4.34Å; F535-T602 HydrophobicContact CG-CG2 4.12Å; E599-T602 PolarHBondContact O-N 2.86Å; E599-T602 PolarHBondContact O-OG1 3.02Å; D600-T602 VanDerWaalsContact C-N 3.26Å; D600-T602 PolarHBondContact O-N 2.82Å; T602-Q605 PolarHBondContact O-NE2 3.4Å
603	E	81.6	Confident	87.7	Confident	101 Å²	101	42.7 Å²	42.7	47%	0.472	22%	0.22	S	C	.	.	H	α-helix	trans	-67.9	-46.6	173	-62.3	-147.9	126.4	0	0	110.9	K299 E599 D600	K299-E603 IonicContact NZ-OE2 3.77Å; E599-E603 HydrophobicContact CG-CG 4.06Å; E599-E603 PolarHBondContact O-N 3.4Å; D600-E603 PolarHBondContact O-N 2.86Å
604	Q	78.4	Confident	87.2	Confident	74 Å²	74	43.1 Å²	43.1	35%	0.346	22%	0.222	S	C	.	.	H	α-helix	trans	-86.9	-15.1	-172.4	-57.6	178.3	38.4	0	0	112.8	D600 L606	D600-Q604 WeakPolarHBondContact O-CB 3.39Å; D600-Q604 WeakPolarHBondContact O-CG 3.42Å; D600-Q604 PolarHBondContact O-N 2.68Å; D600-Q604 PolarHBondContact OD1-NE2 2.68Å; D600-Q604 VanDerWaalsContact OD1-NE2 3.07Å; Q604-L606 HydrophobicContact CB-CD2 3.81Å; Q604-L606 HydrophobicContact CB-CG 4.18Å
605	Q	83.3	Confident	86.9	Confident	79 Å²	79	43 Å²	43	37%	0.369	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.2	56.3	-171.5	-63.2	-68.2	-67.7	0	0	111.5	H538 R541 V601 T602	H538-Q605 PolarHBondContact ND1-NE2 3.47Å; H538-Q605 PolarHBondContact ND1-OE1 2.86Å; R541-Q605 VanDerWaalsContact NH1-CD 3.29Å; V601-Q605 WeakPolarHBondContact O-CA 3.35Å; V601-Q605 PolarHBondContact O-N 2.85Å; T602-Q605 PolarHBondContact O-NE2 3.4Å
606	L	85.8	Confident	86.6	Confident	20 Å²	20	43.1 Å²	43.1	11%	0.105	22%	0.224	C	C	.	.			trans	-63.1	145.8	-179.1	-61.8	-174.8	0	0	0	111.8	H538 V601 Q604 Q610 M611 H614	H538-L606 PolarHBondContact CE1-O 2.99Å; H538-L606 PolarHBondContact NE2-O 3.45Å; V601-L606 HydrophobicContact CG2-CD1 4.17Å; V601-L606 PolarHBondContact O-N 3.21Å; Q604-L606 HydrophobicContact CB-CD2 3.81Å; Q604-L606 HydrophobicContact CB-CG 4.18Å; L606-Q610 HydrophobicContact CB-CB 3.96Å; L606-Q610 HydrophobicContact CD2-CB 4.35Å; L606-M611 HydrophobicContact CB-CG 3.97Å; L606-H614 HydrophobicContact CD1-CB 4.19Å
607	A	89.9	Confident	86.2	Confident	33 Å²	33	43.3 Å²	43.3	27%	0.273	23%	0.226	S	C	.	.			trans	-76.7	164.4	171.5	0	0	0	0	0	111.9	D609 Q610 M611	A607-D609 VanDerWaalsContact C-N 3.29Å; A607-D609 WeakPolarHBondContact CB-OD1 3.45Å; A607-D609 PolarHBondContact O-N 2.85Å; A607-Q610 HydrophobicContact CB-CG 4.34Å; A607-Q610 VanDerWaalsContact N-OE1 3.08Å; A607-Q610 CarbonylContact O-C 3.51Å; A607-Q610 WeakPolarHBondContact O-CA 3.48Å; A607-Q610 WeakPolarHBondContact O-CB 3.49Å; A607-Q610 PolarHBondContact O-N 3.3Å; A607-M611 WeakPolarHBondContact O-CG 3.46Å; A607-M611 PolarHBondContact O-N 2.93Å
608	T	91.7	Very high	86	Confident	30 Å²	30	43.2 Å²	43.2	18%	0.184	23%	0.225	C	C	.	.	H	α-helix	trans	-55.2	-39.4	-174.7	-49.9	0	0	0	0	113.6	D545 M611 L612	D545-T608 HydrophobicContact CB-CG2 4.41Å; D545-T608 VanDerWaalsContact O-CG2 3.27Å; D545-T608 WeakPolarHBondContact O-CG2 3.11Å; T608-M611 PolarHBondContact O-N 2.93Å; T608-L612 PolarHBondContact O-N 3.38Å
609	D	88.4	Confident	85.9	Confident	104 Å²	104	44.4 Å²	44.4	56%	0.556	23%	0.233	S	C	*	.	H	α-helix	trans	-67.4	-41.8	174.8	66.3	-50.9	0	0	0	112	A607 M611 L612 L613	A607-D609 VanDerWaalsContact C-N 3.29Å; A607-D609 WeakPolarHBondContact CB-OD1 3.45Å; A607-D609 PolarHBondContact O-N 2.85Å; D609-M611 VanDerWaalsContact C-N 3.33Å; D609-L612 PolarHBondContact O-N 3.04Å; D609-L613 WeakPolarHBondContact O-CB 3.34Å; D609-L613 PolarHBondContact O-N 3.46Å
610	Q	86.6	Confident	85.9	Confident	87 Å²	87	42.7 Å²	42.7	41%	0.407	23%	0.226	S	C	.	.	H	α-helix	trans	-68.3	-33.2	177.2	-62.2	171.6	-2.8	0	0	111.6	L606 A607 H614	L606-Q610 HydrophobicContact CB-CB 3.96Å; L606-Q610 HydrophobicContact CD2-CB 4.35Å; A607-Q610 HydrophobicContact CB-CG 4.34Å; A607-Q610 VanDerWaalsContact N-OE1 3.08Å; A607-Q610 CarbonylContact O-C 3.51Å; A607-Q610 WeakPolarHBondContact O-CA 3.48Å; A607-Q610 WeakPolarHBondContact O-CB 3.49Å; A607-Q610 PolarHBondContact O-N 3.3Å; Q610-H614 WeakPolarHBondContact O-CB 3.48Å; Q610-H614 PolarHBondContact O-N 2.85Å
611	M	90.6	Very high	86	Confident	1 Å²	1	44.9 Å²	44.9	1%	0.005	24%	0.236	C	C	.	.	H	α-helix	trans	-66.4	-48.4	171.7	-70.8	-179.2	56.9	0	0	111.8	F535 L539 L542 F551 V601 L606 A607 T608 D609 L613 H614 F615	F535-M611 HydrophobicContact CE1-CE 4.06Å; F535-M611 HydrophobicContact CE2-CE 4.5Å; F535-M611 HydrophobicContact CZ-CE 3.6Å; L539-M611 HydrophobicContact CD2-CE 3.64Å; L539-M611 HydrophobicContact CD2-SD 4.29Å; L542-M611 HydrophobicContact CD1-SD 3.77Å; F551-M611 HydrophobicContact CD1-CE 3.92Å; F551-M611 HydrophobicContact CE1-CE 3.56Å; F551-M611 HydrophobicContact CZ-CE 4.12Å; V601-M611 HydrophobicContact CG1-CE 3.74Å; V601-M611 HydrophobicContact CG1-CG 3.65Å; V601-M611 HydrophobicContact CG1-SD 3.62Å; V601-M611 HydrophobicContact CG2-CG 4.31Å; L606-M611 HydrophobicContact CB-CG 3.97Å; A607-M611 WeakPolarHBondContact O-CG 3.46Å; A607-M611 PolarHBondContact O-N 2.93Å; T608-M611 PolarHBondContact O-N 2.93Å; D609-M611 VanDerWaalsContact C-N 3.33Å; M611-L613 VanDerWaalsContact C-N 3.3Å; M611-L613 PolarHBondContact O-N 3.1Å; M611-H614 PolarHBondContact O-N 2.9Å; M611-F615 WeakPolarHBondContact O-CD2 3.47Å; M611-F615 PolarHBondContact O-N 3.15Å
612	L	90.6	Very high	85.9	Confident	73 Å²	73	45.2 Å²	45.2	38%	0.382	24%	0.238	S	C	.	.	H	α-helix	trans	-56.7	-45.1	174.1	171.9	63	0	0	0	111.2	F551 T608 D609 S616	F551-L612 HydrophobicContact CB-CB 4.33Å; F551-L612 HydrophobicContact CB-CD1 4.37Å; T608-L612 PolarHBondContact O-N 3.38Å; D609-L612 PolarHBondContact O-N 3.04Å; L612-S616 VanDerWaalsContact O-CB 3.23Å; L612-S616 WeakPolarHBondContact O-CB 3.28Å; L612-S616 PolarHBondContact O-N 3.45Å; L612-S616 PolarHBondContact O-OG 2.94Å
613	L	84.8	Confident	86	Confident	68 Å²	68	46.4 Å²	46.4	36%	0.356	24%	0.244	S	C	.	.	H	α-helix	trans	-64.3	-49.6	175.7	179.6	58.7	0	0	0	111.6	D609 M611 F615 S616 N617	D609-L613 WeakPolarHBondContact O-CB 3.34Å; D609-L613 PolarHBondContact O-N 3.46Å; M611-L613 VanDerWaalsContact C-N 3.3Å; M611-L613 PolarHBondContact O-N 3.1Å; L613-F615 VanDerWaalsContact C-N 3.34Å; L613-F615 PolarHBondContact O-N 3.29Å; L613-S616 PolarHBondContact O-N 3.45Å; L613-N617 VanDerWaalsContact CD1-ND2 3.32Å; L613-N617 WeakPolarHBondContact CD1-ND2 3.25Å; L613-N617 WeakPolarHBondContact CG-ND2 3.46Å; L613-N617 WeakPolarHBondContact O-CB 3.37Å; L613-N617 PolarHBondContact O-N 3.29Å; L613-N617 PolarHBondContact O-ND2 2.67Å; L613-N617 PolarHBondContact O-OD1 2.98Å
614	H	84.7	Confident	86.5	Confident	9 Å²	9	41.6 Å²	41.6	4%	0.042	22%	0.221	C	C	.	.	H	α-helix	trans	-52.3	-49.6	179.7	164.9	66.3	0	0	0	112.3	R256 Q318 Y597 L606 Q610 M611 N617	R256-H614 PolarHBondContact NH2-ND1 3.18Å; R256-H614 PolarHBondContact NH2-O 3.3Å; Q318-H614 PolarHBondContact NE2-CE1 3.14Å; Q318-H614 PolarHBondContact NE2-ND1 3.08Å; Y597-H614 PolarHBondContact O-CE1 2.69Å; Y597-H614 PolarHBondContact O-NE2 2.87Å; L606-H614 HydrophobicContact CD1-CB 4.19Å; Q610-H614 WeakPolarHBondContact O-CB 3.48Å; Q610-H614 PolarHBondContact O-N 2.85Å; M611-H614 PolarHBondContact O-N 2.9Å; H614-N617 PolarHBondContact O-N 3.01Å
615	F	90	Very high	87	Confident	1 Å²	1	40.7 Å²	40.7	0%	0.004	22%	0.217	C	C	.	.	H	α-helix	trans	-72.9	-39.2	179.1	-78.9	-61.4	0	0	0	113	F535 F551 W555 I593 I594 V601 M611 L613 N617 L618	F535-F615 HydrophobicContact CZ-CE2 4.32Å; F535-F615 HydrophobicContact CZ-CZ 4.49Å; F551-F615 HydrophobicContact CB-CD2 4.06Å; F551-F615 AromaticContact CD2-CD2 3.43Å; F551-F615 HydrophobicContact CD2-CD2 3.43Å; F551-F615 VanDerWaalsContact CD2-CD2 3.43Å; F551-F615 AromaticContact CD2-CE2 3.67Å; F551-F615 HydrophobicContact CD2-CE2 3.67Å; F551-F615 HydrophobicContact CD2-CG 4.17Å; F551-F615 HydrophobicContact CE2-CD2 4.05Å; F551-F615 AromaticContact CE2-CE2 3.78Å; F551-F615 HydrophobicContact CE2-CE2 3.78Å; F551-F615 HydrophobicContact CE2-CZ 4.45Å; F551-F615 AromaticContact CG-CD2 3.86Å; F551-F615 HydrophobicContact CG-CD2 3.86Å; F551-F615 HydrophobicContact CG-CE2 4.29Å; F551-F615 HydrophobicContact CZ-CE2 4.48Å; W555-F615 AromaticContact CH2-CD1 3.73Å; W555-F615 HydrophobicContact CH2-CD1 3.73Å; W555-F615 AromaticContact CH2-CE1 3.93Å; W555-F615 HydrophobicContact CH2-CE1 3.93Å; W555-F615 HydrophobicContact CH2-CG 4.07Å; W555-F615 HydrophobicContact CH2-CZ 4.41Å; W555-F615 HydrophobicContact CZ2-CB 3.89Å; W555-F615 AromaticContact CZ2-CD1 3.62Å; W555-F615 HydrophobicContact CZ2-CD1 3.62Å; W555-F615 HydrophobicContact CZ2-CE1 4.29Å; W555-F615 AromaticContact CZ2-CG 3.78Å; W555-F615 HydrophobicContact CZ2-CG 3.78Å; I593-F615 HydrophobicContact CG2-CD1 4.37Å; I593-F615 HydrophobicContact CG2-CE1 4.2Å; I594-F615 HydrophobicContact CG1-CZ 4.18Å; V601-F615 HydrophobicContact CG2-CE2 4.15Å; V601-F615 HydrophobicContact CG2-CZ 4.43Å; M611-F615 WeakPolarHBondContact O-CD2 3.47Å; M611-F615 PolarHBondContact O-N 3.15Å; L613-F615 VanDerWaalsContact C-N 3.34Å; L613-F615 PolarHBondContact O-N 3.29Å; F615-N617 PolarHBondContact O-N 2.93Å; F615-L618 HydrophobicContact CD1-CD1 4.04Å; F615-L618 WeakPolarHBondContact O-CB 3.48Å; F615-L618 PolarHBondContact O-N 3.14Å
616	S	87.8	Confident	87.4	Confident	45 Å²	45	37.1 Å²	37.1	32%	0.315	20%	0.2	S	C	.	.	H	α-helix	trans	-58.4	-34.8	173.9	-63	0	0	0	0	112	L612 L613 L618 S619	L612-S616 VanDerWaalsContact O-CB 3.23Å; L612-S616 WeakPolarHBondContact O-CB 3.28Å; L612-S616 PolarHBondContact O-N 3.45Å; L612-S616 PolarHBondContact O-OG 2.94Å; L613-S616 PolarHBondContact O-N 3.45Å; S616-L618 PolarHBondContact O-N 3.09Å; S616-S619 VanDerWaalsContact O-CB 3.32Å; S616-S619 WeakPolarHBondContact O-CB 3.45Å; S616-S619 PolarHBondContact O-N 3.28Å
617	N	81.2	Confident	87.9	Confident	30 Å²	30	36.1 Å²	36.1	16%	0.16	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.3	5.5	176.8	-59.3	-29.2	0	0	0	114.2	R253 R256 Y278 L613 H614 F615	R253-N617 PolarHBondContact NH2-ND2 3.37Å; R256-N617 PolarHBondContact NH1-O 3.07Å; Y278-N617 PolarHBondContact OH-ND2 3.47Å; Y278-N617 VanDerWaalsContact OH-ND2 3.07Å; Y278-N617 PolarHBondContact OH-OD1 3.24Å; L613-N617 VanDerWaalsContact CD1-ND2 3.32Å; L613-N617 WeakPolarHBondContact CD1-ND2 3.25Å; L613-N617 WeakPolarHBondContact CG-ND2 3.46Å; L613-N617 WeakPolarHBondContact O-CB 3.37Å; L613-N617 PolarHBondContact O-N 3.29Å; L613-N617 PolarHBondContact O-ND2 2.67Å; L613-N617 PolarHBondContact O-OD1 2.98Å; H614-N617 PolarHBondContact O-N 3.01Å; F615-N617 PolarHBondContact O-N 2.93Å
618	L	84.9	Confident	88.1	Confident	4 Å²	4	34.6 Å²	34.6	2%	0.021	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.2	-11.8	173.3	-70.1	167.3	0	0	0	112.8	R256 F258 Y597 F615 S616 M620 H621 M622	R256-L618 VanDerWaalsContact NH1-CD2 3.29Å; F258-L618 HydrophobicContact CE1-CD2 4.16Å; F258-L618 HydrophobicContact CZ-CD2 3.86Å; Y597-L618 HydrophobicContact CD1-CD1 4.41Å; Y597-L618 HydrophobicContact CD1-CD2 4.34Å; Y597-L618 HydrophobicContact CG-CD1 4.09Å; F615-L618 HydrophobicContact CD1-CD1 4.04Å; F615-L618 WeakPolarHBondContact O-CB 3.48Å; F615-L618 PolarHBondContact O-N 3.14Å; S616-L618 PolarHBondContact O-N 3.09Å; L618-M620 PolarHBondContact O-N 3.17Å; L618-H621 PolarHBondContact O-N 3.39Å; L618-M622 HydrophobicContact CB-CE 4.43Å; L618-M622 HydrophobicContact CB-CG 3.87Å; L618-M622 HydrophobicContact CB-SD 4.03Å; L618-M622 WeakPolarHBondContact O-CG 3.37Å; L618-M622 PolarHBondContact O-N 2.75Å
619	S	86.4	Confident	88.3	Confident	27 Å²	27	33.9 Å²	33.9	19%	0.189	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-46.9	131.4	170.8	172.4	0	0	0	0	111.1	R562 S616 H621	R562-S619 PolarHBondContact O-OG 2.99Å; S616-S619 VanDerWaalsContact O-CB 3.32Å; S616-S619 WeakPolarHBondContact O-CB 3.45Å; S616-S619 PolarHBondContact O-N 3.28Å; S619-H621 PolarHBondContact O-CD2 3.05Å; S619-H621 PolarHBondContact O-N 3.27Å; S619-H621 VanDerWaalsContact O-N 3.14Å
620	M	84.9	Confident	88.6	Confident	85 Å²	85	29.5 Å²	29.5	42%	0.419	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	63.5	5.4	-176.6	-51.3	-58.1	175	0	0	116.3	E563 F564 L618	E563-M620 PolarHBondContact O-N 3.43Å; F564-M620 VanDerWaalsContact O-SD 3.38Å; L618-M620 PolarHBondContact O-N 3.17Å
621	H	80.7	Confident	89.1	Confident	55 Å²	55	25.3 Å²	25.3	26%	0.255	13%	0.133	S	C	.	.	T	Hydrogen-bonded Turn	trans	-119	-7.9	176.7	-60	-60.7	0	0	0	114.1	F258 Q268 I280 L618 S619	F258-H621 VanDerWaalsContact CD1-O 3.3Å; F258-H621 WeakPolarHBondContact CD1-O 3.34Å; F258-H621 HydrophobicContact CE1-CB 4.39Å; F258-H621 WeakPolarHBondContact CE1-O 3.5Å; F258-H621 HydrophobicContact CE2-CB 4.33Å; F258-H621 HydrophobicContact CZ-CB 4.08Å; Q268-H621 PolarHBondContact OE1-ND1 3.24Å; I280-H621 WeakPolarHBondContact CD1-CE1 3.4Å; L618-H621 PolarHBondContact O-N 3.39Å; S619-H621 PolarHBondContact O-CD2 3.05Å; S619-H621 PolarHBondContact O-N 3.27Å; S619-H621 VanDerWaalsContact O-N 3.14Å
622	M	85.9	Confident	89.4	Confident	6 Å²	6	25.5 Å²	25.5	3%	0.03	13%	0.133	C	C	.	.	S	Bend	trans	-75.7	151.8	172	-65.6	178.5	-70	0	0	111.6	E563 F564 I593 Y597 L618	E563-M622 HydrophobicContact CB-CE 3.79Å; F564-M622 HydrophobicContact CD1-CB 4.07Å; F564-M622 HydrophobicContact CE1-CB 3.38Å; F564-M622 HydrophobicContact CE1-CE 4.42Å; F564-M622 HydrophobicContact CE2-CE 4.15Å; F564-M622 HydrophobicContact CZ-CB 3.91Å; F564-M622 HydrophobicContact CZ-CE 3.91Å; F564-M622 HydrophobicContact CZ-SD 4.23Å; I593-M622 HydrophobicContact CG1-SD 4.38Å; I593-M622 HydrophobicContact CG2-SD 3.64Å; Y597-M622 HydrophobicContact CD2-CG 3.88Å; Y597-M622 HydrophobicContact CD2-SD 3.83Å; Y597-M622 HydrophobicContact CE1-CG 4.29Å; Y597-M622 HydrophobicContact CE2-CB 3.84Å; Y597-M622 HydrophobicContact CE2-CG 3.57Å; Y597-M622 HydrophobicContact CE2-SD 3.95Å; Y597-M622 HydrophobicContact CG-CG 4.37Å; L618-M622 HydrophobicContact CB-CE 4.43Å; L618-M622 HydrophobicContact CB-CG 3.87Å; L618-M622 HydrophobicContact CB-SD 4.03Å; L618-M622 WeakPolarHBondContact O-CG 3.37Å; L618-M622 PolarHBondContact O-N 2.75Å
623	N	87.1	Confident	89.6	Confident	43 Å²	43	22 Å²	22	23%	0.23	12%	0.115	C	C	.	.			trans	-97.5	104.9	179.3	-178.8	-46	0	0	0	109.4	Y597 E625 L626 V627	Y597-N623 PolarHBondContact OH-N 3.27Å; N623-E625 VanDerWaalsContact C-N 3.34Å; N623-E625 PolarHBondContact O-N 3.48Å; N623-E625 PolarHBondContact OD1-N 3.3Å; N623-L626 HydrophobicContact CB-CB 3.91Å; N623-L626 WeakPolarHBondContact O-CB 3.39Å; N623-L626 PolarHBondContact O-N 3.05Å; N623-L626 VanDerWaalsContact O-N 3.17Å; N623-L626 WeakPolarHBondContact OD1-CB 3.39Å; N623-L626 PolarHBondContact OD1-N 3.42Å; N623-V627 WeakPolarHBondContact O-CG2 3.49Å; N623-V627 PolarHBondContact O-N 2.83Å
624	G	91.8	Very high	90.1	Very high	0 Å²	0	19 Å²	19	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-66.7	-31.8	-174	0	0	0	0	0	114.1	E568 M572 V627 L628	E568-G624 VanDerWaalsContact OE2-CA 3.28Å; E568-G624 WeakPolarHBondContact OE2-CA 3.38Å; E568-G624 PolarHBondContact OE2-N 3.38Å; M572-G624 VanDerWaalsContact CE-CA 3.42Å; G624-V627 PolarHBondContact O-N 2.93Å; G624-L628 WeakPolarHBondContact O-CB 3.31Å; G624-L628 WeakPolarHBondContact O-CG 3.5Å; G624-L628 PolarHBondContact O-N 3.38Å
625	E	90.1	Very high	90.6	Very high	54 Å²	54	18.7 Å²	18.7	25%	0.252	10%	0.098	S	C	.	.	H	α-helix	trans	-68.9	-32.6	173.7	176.9	61.3	-137.3	0	0	112	R571 N623 R629	R571-E625 IonicContact CZ-OE2 3.42Å; R571-E625 IonicContact NH1-OE2 2.68Å; R571-E625 PolarHBondContact NH1-OE2 3.36Å; R571-E625 IonicContact NH2-OE2 2.69Å; R571-E625 PolarHBondContact NH2-OE2 3.45Å; N623-E625 VanDerWaalsContact C-N 3.34Å; N623-E625 PolarHBondContact O-N 3.48Å; N623-E625 PolarHBondContact OD1-N 3.3Å; E625-R629 VanDerWaalsContact O-CG 3.31Å; E625-R629 WeakPolarHBondContact O-CG 3.35Å; E625-R629 PolarHBondContact O-N 3.11Å; E625-R629 PolarHBondContact O-NE 2.8Å; E625-R629 WeakPolarHBondContact OE1-CD 3.21Å; E625-R629 WeakPolarHBondContact OE1-CG 3.33Å; E625-R629 IonicContact OE1-NE 4Å; E625-R629 PolarHBondContact OE1-NE 3.18Å
626	L	91.4	Very high	90.7	Very high	4 Å²	4	21.5 Å²	21.5	2%	0.021	11%	0.109	C	C	.	.	H	α-helix	trans	-70.3	-45.2	172.4	-172.8	69.2	0	0	0	111.3	R323 L326 L596 N623 R629 K630	R323-L626 VanDerWaalsContact O-CD2 3.28Å; R323-L626 WeakPolarHBondContact O-CD2 3.23Å; L326-L626 HydrophobicContact CD1-CD1 4.43Å; L326-L626 HydrophobicContact CD2-CD1 3.99Å; L326-L626 HydrophobicContact CG-CD1 3.74Å; L596-L626 HydrophobicContact CD1-CB 4.46Å; L596-L626 HydrophobicContact CD1-CD2 4.08Å; L596-L626 HydrophobicContact CD1-CG 3.84Å; L596-L626 HydrophobicContact CD2-CD2 3.89Å; L596-L626 HydrophobicContact CD2-CG 4Å; N623-L626 HydrophobicContact CB-CB 3.91Å; N623-L626 WeakPolarHBondContact O-CB 3.39Å; N623-L626 PolarHBondContact O-N 3.05Å; N623-L626 VanDerWaalsContact O-N 3.17Å; N623-L626 WeakPolarHBondContact OD1-CB 3.39Å; N623-L626 PolarHBondContact OD1-N 3.42Å; L626-R629 PolarHBondContact O-N 3.17Å; L626-K630 WeakPolarHBondContact O-CB 3.27Å; L626-K630 PolarHBondContact O-N 2.96Å
627	V	95.8	Very high	90.9	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-60.5	-45.4	176.2	170.8	0	0	0	0	111.2	F564 M572 L589 A592 I593 L596 Y597 N623 G624 K630 A631	F564-V627 HydrophobicContact CE1-CB 4.46Å; F564-V627 HydrophobicContact CE1-CG2 4.02Å; F564-V627 HydrophobicContact CZ-CB 4.37Å; F564-V627 HydrophobicContact CZ-CG1 4.32Å; F564-V627 HydrophobicContact CZ-CG2 3.97Å; M572-V627 HydrophobicContact CE-CB 3.94Å; M572-V627 HydrophobicContact CE-CG1 3.8Å; L589-V627 HydrophobicContact CD2-CG1 3.97Å; A592-V627 HydrophobicContact CB-CG1 4.09Å; A592-V627 WeakPolarHBondContact CB-O 3.22Å; I593-V627 HydrophobicContact CD1-CG1 4.44Å; I593-V627 HydrophobicContact CG1-CG1 3.8Å; I593-V627 HydrophobicContact CG1-CG2 4Å; L596-V627 HydrophobicContact CD1-CB 4.4Å; L596-V627 HydrophobicContact CD1-CG2 3.75Å; Y597-V627 HydrophobicContact CE2-CG2 4.01Å; N623-V627 WeakPolarHBondContact O-CG2 3.49Å; N623-V627 PolarHBondContact O-N 2.83Å; G624-V627 PolarHBondContact O-N 2.93Å; V627-K630 PolarHBondContact O-N 3.11Å; V627-A631 WeakPolarHBondContact O-CB 3.48Å; V627-A631 PolarHBondContact O-N 3.44Å
628	L	95.6	Very high	91.4	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-58.2	-54.2	176.7	-88.6	163.9	0	0	0	112.3	R571 M572 A575 F585 L589 G624 K630 A631 R632	R571-L628 HydrophobicContact CB-CD1 4.14Å; M572-L628 HydrophobicContact CE-CG 4.49Å; M572-L628 HydrophobicContact CG-CD1 4.12Å; M572-L628 HydrophobicContact CG-CD2 4.19Å; M572-L628 HydrophobicContact CG-CG 3.98Å; A575-L628 HydrophobicContact CB-CD2 3.82Å; F585-L628 HydrophobicContact CE1-CD2 4.06Å; L589-L628 HydrophobicContact CD2-CD2 4.08Å; L589-L628 HydrophobicContact CD2-CG 4.4Å; G624-L628 WeakPolarHBondContact O-CB 3.31Å; G624-L628 WeakPolarHBondContact O-CG 3.5Å; G624-L628 PolarHBondContact O-N 3.38Å; L628-K630 VanDerWaalsContact C-N 3.27Å; L628-K630 PolarHBondContact O-N 3.18Å; L628-A631 PolarHBondContact O-N 3.29Å; L628-R632 WeakPolarHBondContact O-CG 3.46Å; L628-R632 PolarHBondContact O-N 3Å
629	R	94.3	Very high	91.5	Very high	15 Å²	15	21.8 Å²	21.8	6%	0.057	10%	0.104	C	C	.	.	H	α-helix	trans	-58.5	-39.6	178.4	-70	177.1	-71.9	152.8	-5.5	111.9	P324 L326 E335 E625 L626 S633	P324-R629 PolarHBondContact O-NH2 3.1Å; L326-R629 HydrophobicContact CD1-CB 3.92Å; E335-R629 HydrophobicContact CG-CG 4.04Å; E625-R629 VanDerWaalsContact O-CG 3.31Å; E625-R629 WeakPolarHBondContact O-CG 3.35Å; E625-R629 PolarHBondContact O-N 3.11Å; E625-R629 PolarHBondContact O-NE 2.8Å; E625-R629 WeakPolarHBondContact OE1-CD 3.21Å; E625-R629 WeakPolarHBondContact OE1-CG 3.33Å; E625-R629 IonicContact OE1-NE 4Å; E625-R629 PolarHBondContact OE1-NE 3.18Å; L626-R629 PolarHBondContact O-N 3.17Å; R629-S633 PolarHBondContact O-N 3.43Å; R629-S633 VanDerWaalsContact O-N 3.09Å
630	K	95.3	Very high	91.6	Very high	12 Å²	12	25.2 Å²	25.2	5%	0.052	12%	0.12	C	C	.	.	H	α-helix	trans	-67.3	-43	177	-171.7	59.8	171.8	-179.3	0	111.8	L326 E330 A592 V595 L596 L626 V627 L628 S633 L634	L326-K630 HydrophobicContact CD1-CB 3.91Å; L326-K630 HydrophobicContact CD1-CD 4.18Å; L326-K630 HydrophobicContact CD2-CD 4.07Å; E330-K630 IonicContact OE2-NZ 3.79Å; E330-K630 PolarHBondContact OE2-NZ 3.32Å; A592-K630 HydrophobicContact CB-CB 3.96Å; A592-K630 HydrophobicContact CB-CG 3.97Å; V595-K630 VanDerWaalsContact CG1-CE 3.46Å; L596-K630 HydrophobicContact CD1-CB 4.16Å; L596-K630 HydrophobicContact CD1-CG 4.44Å; L596-K630 HydrophobicContact CG-CG 4.35Å; L626-K630 WeakPolarHBondContact O-CB 3.27Å; L626-K630 PolarHBondContact O-N 2.96Å; V627-K630 PolarHBondContact O-N 3.11Å; L628-K630 VanDerWaalsContact C-N 3.27Å; L628-K630 PolarHBondContact O-N 3.18Å; K630-S633 WeakPolarHBondContact O-CB 3.49Å; K630-S633 PolarHBondContact O-N 3.31Å; K630-L634 HydrophobicContact CG-CD1 4.15Å; K630-L634 VanDerWaalsContact O-CG 3.29Å; K630-L634 WeakPolarHBondContact O-CG 3.25Å; K630-L634 PolarHBondContact O-N 3.28Å
631	A	97.5	Very high	91.8	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-62.4	-41.7	176.4	0	0	0	0	0	112.4	F585 F588 L589 A592 V627 L628 S633 L634 L635	F585-A631 HydrophobicContact CE2-CB 3.83Å; F585-A631 HydrophobicContact CZ-CB 3.67Å; F588-A631 HydrophobicContact CB-CB 4.15Å; F588-A631 WeakPolarHBondContact O-CB 3.46Å; L589-A631 HydrophobicContact CD2-CB 3.71Å; L589-A631 HydrophobicContact CG-CB 4.3Å; A592-A631 HydrophobicContact CB-CB 3.95Å; V627-A631 WeakPolarHBondContact O-CB 3.48Å; V627-A631 PolarHBondContact O-N 3.44Å; L628-A631 PolarHBondContact O-N 3.29Å; A631-S633 PolarHBondContact O-N 3.09Å; A631-L634 PolarHBondContact O-N 2.83Å; A631-L635 PolarHBondContact O-N 2.62Å
632	R	96.4	Very high	92	Very high	4 Å²	4	25.2 Å²	25.2	2%	0.015	13%	0.128	C	C	.	.	H	α-helix	trans	-59.9	-43.2	173	-66.8	172.6	-178	150.9	6.3	112	H332 E335 F367 F368 F585 L628 Y636	H332-R632 HydrophobicContact CB-CB 4.14Å; E335-R632 IonicContact OE1-CZ 3.2Å; E335-R632 IonicContact OE1-NH1 2.73Å; E335-R632 PolarHBondContact OE1-NH1 3.07Å; E335-R632 WeakPolarHBondContact OE2-CD 3.35Å; E335-R632 IonicContact OE2-NH1 2.61Å; F367-R632 HydrophobicContact CE1-CB 4.4Å; F367-R632 HydrophobicContact CE1-CG 3.7Å; F367-R632 HydrophobicContact CZ-CG 3.79Å; F367-R632 PolarHBondContact O-NE 3.02Å; F367-R632 PolarHBondContact O-NH2 3.41Å; F368-R632 HydrophobicContact CE1-CG 4.43Å; F368-R632 PolarHBondContact O-NH1 3.46Å; F368-R632 VanDerWaalsContact O-NH1 3.1Å; F368-R632 PolarHBondContact O-NH2 3.35Å; F585-R632 HydrophobicContact CE2-CG 4.45Å; F585-R632 HydrophobicContact CZ-CG 4.01Å; L628-R632 WeakPolarHBondContact O-CG 3.46Å; L628-R632 PolarHBondContact O-N 3Å; R632-Y636 PolarHBondContact O-N 2.79Å; R632-Y636 VanDerWaalsContact O-N 3.11Å
633	S	95.1	Very high	92	Very high	1 Å²	1	29.8 Å²	29.8	1%	0.007	14%	0.144	C	C	.	.	H	α-helix	trans	-64.5	-38.9	174.5	-172.8	0	0	0	0	112.6	E330 R629 K630 A631 Y636 Q637	E330-S633 VanDerWaalsContact C-OG 3.23Å; E330-S633 WeakPolarHBondContact O-CB 3.37Å; E330-S633 PolarHBondContact O-OG 2.79Å; R629-S633 PolarHBondContact O-N 3.43Å; R629-S633 VanDerWaalsContact O-N 3.09Å; K630-S633 WeakPolarHBondContact O-CB 3.49Å; K630-S633 PolarHBondContact O-N 3.31Å; A631-S633 PolarHBondContact O-N 3.09Å; S633-Y636 PolarHBondContact O-N 3.26Å; S633-Q637 WeakPolarHBondContact O-CB 3.3Å; S633-Q637 VanDerWaalsContact O-CG 3.27Å; S633-Q637 WeakPolarHBondContact O-CG 3.43Å; S633-Q637 PolarHBondContact O-N 2.93Å
634	L	95.8	Very high	92.2	Very high	5 Å²	5	27.8 Å²	27.8	3%	0.026	13%	0.134	C	C	.	.	H	α-helix	trans	-68.1	-43	178.5	-70.8	164.6	0	0	0	111.5	M531 F588 V591 A592 V595 K630 A631 Y636 Q637 F638	M531-L634 HydrophobicContact CE-CB 3.99Å; M531-L634 HydrophobicContact CE-CD2 3.51Å; M531-L634 HydrophobicContact CE-CG 4.37Å; M531-L634 WeakPolarHBondContact CE-O 3.37Å; M531-L634 HydrophobicContact SD-CD2 4.22Å; F588-L634 HydrophobicContact CD1-CB 4Å; V591-L634 HydrophobicContact CB-CD1 4.2Å; V591-L634 HydrophobicContact CG1-CD1 3.81Å; V591-L634 HydrophobicContact CG1-CD2 4.45Å; A592-L634 HydrophobicContact CB-CD1 3.97Å; V595-L634 HydrophobicContact CG2-CD1 4.22Å; K630-L634 HydrophobicContact CG-CD1 4.15Å; K630-L634 VanDerWaalsContact O-CG 3.29Å; K630-L634 WeakPolarHBondContact O-CG 3.25Å; K630-L634 PolarHBondContact O-N 3.28Å; A631-L634 PolarHBondContact O-N 2.83Å; L634-Y636 VanDerWaalsContact C-N 3.32Å; L634-Y636 PolarHBondContact O-N 3.39Å; L634-Q637 PolarHBondContact O-N 3.11Å; L634-F638 WeakPolarHBondContact O-CB 3.49Å; L634-F638 PolarHBondContact O-N 2.95Å
635	L	94.4	Very high	92.1	Very high	2 Å²	2	28.6 Å²	28.6	1%	0.01	14%	0.139	C	C	.	.	H	α-helix	trans	-59	-42.8	173.7	176.2	60.5	0	0	0	111.7	F367 Q581 T582 F585 F588 A631 F638 R639	F367-L635 HydrophobicContact CE2-CD2 4.48Å; F367-L635 HydrophobicContact CZ-CD2 3.94Å; Q581-L635 HydrophobicContact CB-CD2 4.45Å; T582-L635 HydrophobicContact CG2-CD1 3.66Å; T582-L635 HydrophobicContact CG2-CD2 4.02Å; F585-L635 HydrophobicContact CD2-CD2 4Å; F585-L635 HydrophobicContact CE2-CD2 4.35Å; F588-L635 HydrophobicContact CD1-CB 4.16Å; F588-L635 HydrophobicContact CD2-CD1 4.27Å; F588-L635 HydrophobicContact CE1-CB 4.4Å; F588-L635 HydrophobicContact CE1-CD1 4.37Å; F588-L635 HydrophobicContact CE2-CD1 3.84Å; F588-L635 HydrophobicContact CG-CB 4.25Å; F588-L635 HydrophobicContact CZ-CD1 3.89Å; A631-L635 PolarHBondContact O-N 2.62Å; L635-F638 PolarHBondContact O-N 2.94Å; L635-R639 HydrophobicContact CD1-CG 4.34Å; L635-R639 WeakPolarHBondContact O-CB 3.4Å; L635-R639 PolarHBondContact O-N 2.78Å
636	Y	91.9	Very high	91.9	Very high	60 Å²	60	26 Å²	26	24%	0.235	13%	0.127	C	C	.	.	H	α-helix	trans	-65.5	-43.6	176.1	173.5	-104.8	0	0	0	112.7	H332 P333 R632 S633 L634 F638 R639 L640	H332-Y636 AromaticContact CD2-CG 3.95Å; H332-Y636 AromaticContact NE2-CD2 3.86Å; P333-Y636 HydrophobicContact CG-CD1 4.22Å; P333-Y636 HydrophobicContact CG-CE1 3.58Å; P333-Y636 HydrophobicContact CG-CE2 3.93Å; P333-Y636 VanDerWaalsContact CG-CZ 3.41Å; R632-Y636 PolarHBondContact O-N 2.79Å; R632-Y636 VanDerWaalsContact O-N 3.11Å; S633-Y636 PolarHBondContact O-N 3.26Å; L634-Y636 VanDerWaalsContact C-N 3.32Å; L634-Y636 PolarHBondContact O-N 3.39Å; Y636-F638 VanDerWaalsContact C-N 3.33Å; Y636-F638 PolarHBondContact O-N 3.28Å; Y636-R639 PolarHBondContact O-N 2.88Å; Y636-L640 HydrophobicContact CD1-CD1 4.09Å; Y636-L640 HydrophobicContact CE1-CD1 3.48Å; Y636-L640 VanDerWaalsContact CE1-CD1 3.48Å; Y636-L640 HydrophobicContact CE1-CG 4.32Å; Y636-L640 HydrophobicContact CE2-CD1 4.18Å; Y636-L640 HydrophobicContact CE2-CD2 4.47Å; Y636-L640 HydrophobicContact CE2-CG 4.25Å; Y636-L640 WeakPolarHBondContact O-CG 3.24Å; Y636-L640 PolarHBondContact O-N 3.36Å
637	Q	91.8	Very high	91.8	Very high	73 Å²	73	26.9 Å²	26.9	34%	0.341	13%	0.133	S	C	.	.	H	α-helix	trans	-61.4	-40.8	174.4	-74.3	170	-2.7	0	0	111.8	M531 S633 L634 L640 L641	M531-Q637 HydrophobicContact CE-CB 4.14Å; S633-Q637 WeakPolarHBondContact O-CB 3.3Å; S633-Q637 VanDerWaalsContact O-CG 3.27Å; S633-Q637 WeakPolarHBondContact O-CG 3.43Å; S633-Q637 PolarHBondContact O-N 2.93Å; L634-Q637 PolarHBondContact O-N 3.11Å; Q637-L640 PolarHBondContact O-N 2.76Å; Q637-L641 PolarHBondContact O-N 2.96Å
638	F	92.4	Very high	91.5	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-63.2	-45.9	174.2	175	-102.9	0	0	0	112.2	L527 M531 F588 L634 L635 Y636 L640 L641 I644 L648 L651 C652	L527-F638 HydrophobicContact CD2-CD2 4.01Å; L527-F638 HydrophobicContact CD2-CE2 4.09Å; M531-F638 HydrophobicContact CE-CB 4.47Å; F588-F638 HydrophobicContact CE1-CB 3.77Å; F588-F638 HydrophobicContact CE1-CD1 4.23Å; F588-F638 HydrophobicContact CE1-CG 4Å; F588-F638 HydrophobicContact CZ-CB 4.12Å; F588-F638 AromaticContact CZ-CD1 3.68Å; F588-F638 HydrophobicContact CZ-CD1 3.68Å; F588-F638 HydrophobicContact CZ-CE1 4.22Å; F588-F638 AromaticContact CZ-CG 3.88Å; F588-F638 HydrophobicContact CZ-CG 3.88Å; L634-F638 WeakPolarHBondContact O-CB 3.49Å; L634-F638 PolarHBondContact O-N 2.95Å; L635-F638 PolarHBondContact O-N 2.94Å; Y636-F638 VanDerWaalsContact C-N 3.33Å; Y636-F638 PolarHBondContact O-N 3.28Å; F638-L640 PolarHBondContact O-N 3.34Å; F638-L641 HydrophobicContact CD2-CD1 3.88Å; F638-L641 HydrophobicContact CE2-CD1 4.49Å; F638-L641 WeakPolarHBondContact O-CB 3Å; F638-L641 WeakPolarHBondContact O-CG 3.43Å; F638-L641 PolarHBondContact O-N 2.95Å; F638-L641 VanDerWaalsContact O-N 3.1Å; F638-I644 HydrophobicContact CE2-CG2 3.87Å; F638-I644 HydrophobicContact CZ-CD1 4.35Å; F638-I644 HydrophobicContact CZ-CG2 4.19Å; F638-L648 HydrophobicContact CE2-CB 4.36Å; F638-L648 HydrophobicContact CE2-CD1 3.81Å; F638-L648 HydrophobicContact CZ-CB 4.21Å; F638-L648 HydrophobicContact CZ-CD1 4.4Å; F638-L651 HydrophobicContact CE1-CB 3.94Å; F638-L651 HydrophobicContact CZ-CB 4.06Å; F638-L651 HydrophobicContact CZ-CD2 4.32Å; F638-C652 VanDerWaalsContact CE1-SG 3.54Å
639	R	87.9	Confident	91.1	Very high	12 Å²	12	29.5 Å²	29.5	5%	0.045	15%	0.145	C	C	.	.	H	α-helix	trans	-66.7	-13.1	174.3	-77.7	-69.7	-166.6	175.3	0.1	114.1	Q581 L635 Y636 C652 K653	Q581-R639 PolarHBondContact O-NE 3.34Å; Q581-R639 PolarHBondContact O-NH2 3.05Å; L635-R639 HydrophobicContact CD1-CG 4.34Å; L635-R639 WeakPolarHBondContact O-CB 3.4Å; L635-R639 PolarHBondContact O-N 2.78Å; Y636-R639 PolarHBondContact O-N 2.88Å; R639-C652 PolarHBondContact NH1-O 3.18Å; R639-C652 VanDerWaalsContact NH1-O 3.09Å; R639-C652 VanDerWaalsContact NH2-C 3.33Å; R639-C652 PolarHBondContact NH2-O 3.45Å; R639-K653 PolarHBondContact NH2-O 3.46Å
640	L	87.5	Confident	90.8	Very high	99 Å²	99	29.5 Å²	29.5	52%	0.518	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93	-6.1	171.7	-75.1	-176.8	0	0	0	114.3	Y636 Q637 F638	Y636-L640 HydrophobicContact CD1-CD1 4.09Å; Y636-L640 HydrophobicContact CE1-CD1 3.48Å; Y636-L640 VanDerWaalsContact CE1-CD1 3.48Å; Y636-L640 HydrophobicContact CE1-CG 4.32Å; Y636-L640 HydrophobicContact CE2-CD1 4.18Å; Y636-L640 HydrophobicContact CE2-CD2 4.47Å; Y636-L640 HydrophobicContact CE2-CG 4.25Å; Y636-L640 WeakPolarHBondContact O-CG 3.24Å; Y636-L640 PolarHBondContact O-N 3.36Å; Q637-L640 PolarHBondContact O-N 2.76Å; F638-L640 PolarHBondContact O-N 3.34Å
641	L	88.6	Confident	90.5	Very high	54 Å²	54	28.9 Å²	28.9	28%	0.283	14%	0.144	S	C	.	.			trans	-63.6	134.3	178.6	-66.1	175.1	0	0	0	110.2	Q637 F638 R643 I644 P666	Q637-L641 PolarHBondContact O-N 2.96Å; F638-L641 HydrophobicContact CD2-CD1 3.88Å; F638-L641 HydrophobicContact CE2-CD1 4.49Å; F638-L641 WeakPolarHBondContact O-CB 3Å; F638-L641 WeakPolarHBondContact O-CG 3.43Å; F638-L641 PolarHBondContact O-N 2.95Å; F638-L641 VanDerWaalsContact O-N 3.1Å; L641-R643 PolarHBondContact O-N 2.89Å; L641-I644 HydrophobicContact CB-CG2 4.2Å; L641-I644 HydrophobicContact CD1-CG2 4.11Å; L641-P666 WeakPolarHBondContact O-CB 3.38Å
642	P	85.6	Confident	89.9	Confident	86 Å²	86	29.6 Å²	29.6	56%	0.558	15%	0.149	S	C	*	.	S	Bend	trans	-67.6	-27.2	177.4	27.8	-34.6	0	0	0	111.9	Y664 T667	P642-Y664 PolarHBondContact O-OH 3.47Å; P642-T667 PolarHBondContact O-N 2.81Å; P642-T667 PolarHBondContact O-OG1 2.83Å
643	R	86.1	Confident	89.1	Confident	101 Å²	101	34.5 Å²	34.5	38%	0.381	17%	0.17	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	143.8	-174.4	-48.1	177.4	82.1	-144.8	-3.2	109.4	L641 T667 E669	L641-R643 PolarHBondContact O-N 2.89Å; R643-T667 CarbonylContact C-O 3.54Å; R643-T667 WeakPolarHBondContact CA-O 3.18Å; R643-E669 HydrophobicContact CB-CG 3.99Å; R643-E669 WeakPolarHBondContact CB-OE1 3.39Å; R643-E669 WeakPolarHBondContact CD-OE1 3.47Å; R643-E669 IonicContact CZ-OE1 3.02Å; R643-E669 IonicContact CZ-OE2 2.96Å; R643-E669 IonicContact NE-OE1 3.97Å; R643-E669 PolarHBondContact NE-OE1 3.18Å; R643-E669 IonicContact NE-OE2 3.69Å; R643-E669 IonicContact NH1-OE1 2.7Å; R643-E669 PolarHBondContact NH1-OE1 2.97Å; R643-E669 IonicContact NH1-OE2 2.65Å; R643-E669 PolarHBondContact NH1-OE2 3.48Å; R643-E669 IonicContact NH2-OE1 2.96Å; R643-E669 IonicContact NH2-OE2 3.24Å; R643-E669 PolarHBondContact NH2-OE2 3.27Å
644	I	90.4	Very high	87.7	Confident	2 Å²	2	38.5 Å²	38.5	1%	0.01	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	152.2	174.3	61	167.4	0	0	0	111.4	F638 L641 C652 P666 T667 V668 E669	F638-I644 HydrophobicContact CE2-CG2 3.87Å; F638-I644 HydrophobicContact CZ-CD1 4.35Å; F638-I644 HydrophobicContact CZ-CG2 4.19Å; L641-I644 HydrophobicContact CB-CG2 4.2Å; L641-I644 HydrophobicContact CD1-CG2 4.11Å; I644-C652 HydrophobicContact CD1-CB 4.35Å; I644-P666 HydrophobicContact CB-CB 4.38Å; I644-P666 HydrophobicContact CB-CG 4.45Å; I644-P666 HydrophobicContact CD1-CB 4.41Å; I644-P666 HydrophobicContact CD1-CG 3.67Å; I644-P666 HydrophobicContact CG1-CB 3.97Å; I644-P666 HydrophobicContact CG1-CG 3.78Å; I644-P666 HydrophobicContact CG2-CB 3.8Å; I644-P666 HydrophobicContact CG2-CG 3.91Å; I644-T667 PolarHBondContact N-O 2.8Å; I644-V668 CarbonylContact O-C 3.54Å; I644-V668 WeakPolarHBondContact O-CA 3.34Å; I644-E669 PolarHBondContact O-N 2.82Å
645	P	89.5	Confident	86.1	Confident	16 Å²	16	38.9 Å²	38.9	10%	0.104	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.7	143.9	167.5	-23.7	35.9	0	0	0	112.2	L530 S647 L648	L530-P645 HydrophobicContact CD1-CG 3.97Å; L530-P645 HydrophobicContact CD2-CG 4.04Å; L530-P645 HydrophobicContact CG-CG 4.35Å; P645-S647 WeakPolarHBondContact CB-OG 3.23Å; P645-S647 PolarHBondContact O-N 2.7Å; P645-L648 PolarHBondContact O-N 3.32Å
646	C	87.5	Confident	84.3	Confident	0 Å²	0	40.4 Å²	40.4	0%	0	21%	0.21	C	C	.	.	G	3₁₀ helix	trans	-59.4	-28	173.6	61.2	0	0	0	0	113.6	L648 H649 V668 E669 S671 H674 C680 Y682	C646-L648 PolarHBondContact O-N 2.84Å; C646-H649 WeakPolarHBondContact O-CB 3.39Å; C646-H649 PolarHBondContact O-N 3.1Å; C646-V668 VanDerWaalsContact CA-CG1 3.49Å; C646-V668 HydrophobicContact CB-CG1 3.56Å; C646-E669 WeakPolarHBondContact CB-O 3.37Å; C646-E669 PolarHBondContact N-O 3.41Å; C646-S671 PolarHBondContact SG-N 3.14Å; C646-H674 VanDerWaalsContact SG-CE1 3.54Å; C646-C680 VanDerWaalsContact CB-SG 3.57Å; C646-Y682 HydrophobicContact CB-CD2 4.02Å; C646-Y682 WeakPolarHBondContact O-CD2 3.41Å
647	S	87.9	Confident	82.1	Confident	22 Å²	22	43.5 Å²	43.5	15%	0.154	24%	0.238	C	C	.	.	G	3₁₀ helix	trans	-59.7	-20	170	44.8	0	0	0	0	113.8	M522 Y523 E526 P645	M522-S647 WeakPolarHBondContact CE-O 3.38Å; Y523-S647 WeakPolarHBondContact CD1-O 3.48Å; Y523-S647 WeakPolarHBondContact CE1-O 3.14Å; E526-S647 PolarHBondContact OE2-OG 3.17Å; P645-S647 WeakPolarHBondContact CB-OG 3.23Å; P645-S647 PolarHBondContact O-N 2.7Å
648	L	90.9	Very high	79.9	Confident	0 Å²	0	43 Å²	43	0%	0	25%	0.252	C	S	.	.	G	3₁₀ helix	trans	-110.7	8.9	178	-62.3	-173.1	0	0	0	113.8	Y523 E526 L527 L530 F638 P645 C646 D650 L651	Y523-L648 HydrophobicContact CD1-CD2 4.04Å; E526-L648 HydrophobicContact CB-CD1 4.09Å; E526-L648 HydrophobicContact CB-CD2 3.64Å; E526-L648 HydrophobicContact CB-CG 3.88Å; L527-L648 HydrophobicContact CD2-CD1 3.99Å; L527-L648 HydrophobicContact CG-CD1 4.25Å; L527-L648 HydrophobicContact CG-CD2 4.41Å; L530-L648 HydrophobicContact CD1-CD1 3.51Å; F638-L648 HydrophobicContact CE2-CB 4.36Å; F638-L648 HydrophobicContact CE2-CD1 3.81Å; F638-L648 HydrophobicContact CZ-CB 4.21Å; F638-L648 HydrophobicContact CZ-CD1 4.4Å; P645-L648 PolarHBondContact O-N 3.32Å; C646-L648 PolarHBondContact O-N 2.84Å; L648-D650 PolarHBondContact O-N 2.85Å; L648-L651 HydrophobicContact CD2-CD1 4.26Å; L648-L651 HydrophobicContact CD2-CD2 4.09Å; L648-L651 PolarHBondContact O-N 2.79Å
649	H	87.3	Confident	78.1	Confident	55 Å²	55	43.8 Å²	43.8	26%	0.255	26%	0.256	S	S	.	.	G	3₁₀ helix	trans	-51.8	-41.3	-179.7	165.5	-93.9	0	0	0	112.8	C646 L651 C652 Y682	C646-H649 WeakPolarHBondContact O-CB 3.39Å; C646-H649 PolarHBondContact O-N 3.1Å; H649-L651 VanDerWaalsContact C-N 3.29Å; H649-L651 PolarHBondContact O-N 3.5Å; H649-C652 PolarHBondContact O-N 3.49Å; H649-Y682 HydrophobicContact CB-CD1 4.03Å; H649-Y682 HydrophobicContact CB-CG 3.97Å; H649-Y682 AromaticContact CG-CD1 3.73Å; H649-Y682 AromaticContact ND1-CD1 3.38Å; H649-Y682 WeakPolarHBondContact ND1-CD1 3.27Å
650	D	87.6	Confident	76.2	Confident	15 Å²	15	54.4 Å²	54.4	8%	0.08	30%	0.296	C	S	.	.	G	3₁₀ helix	trans	-67.1	-28.7	-174	-57.4	-43.8	0	0	0	113.3	Y523 Y584 L648 C652 K653	Y523-D650 HydrophobicContact CE1-CB 4.48Å; Y523-D650 PolarHBondContact OH-OD2 2.82Å; Y584-D650 HydrophobicContact CE2-CB 4.33Å; L648-D650 PolarHBondContact O-N 2.85Å; D650-C652 PolarHBondContact O-N 2.83Å; D650-C652 VanDerWaalsContact O-N 3.17Å; D650-K653 HydrophobicContact CB-CD 4.32Å; D650-K653 WeakPolarHBondContact O-CB 3.45Å; D650-K653 PolarHBondContact O-N 3.47Å; D650-K653 WeakPolarHBondContact OD1-CE 3.36Å; D650-K653 IonicContact OD1-NZ 2.81Å; D650-K653 PolarHBondContact OD1-NZ 3.21Å
651	L	89	Confident	74.7	Confident	0 Å²	0	51 Å²	51	0%	0	28%	0.279	C	S	.	.	G	3₁₀ helix	trans	-65	-18.8	175.5	-75.4	63.3	0	0	0	112.1	Y523 L527 T582 Y584 F588 F638 L648 H649	Y523-L651 HydrophobicContact CD1-CD1 3.6Å; Y523-L651 HydrophobicContact CD2-CD1 4.07Å; Y523-L651 HydrophobicContact CE1-CD1 3.92Å; Y523-L651 HydrophobicContact CE2-CD1 4.37Å; Y523-L651 HydrophobicContact CG-CD1 3.7Å; L527-L651 HydrophobicContact CD1-CD2 3.84Å; L527-L651 HydrophobicContact CD2-CD2 4Å; L527-L651 HydrophobicContact CG-CD2 4.07Å; T582-L651 WeakPolarHBondContact CB-O 3.34Å; T582-L651 PolarHBondContact OG1-O 3.43Å; Y584-L651 HydrophobicContact CD2-CD1 4.2Å; Y584-L651 HydrophobicContact CD2-CG 4.13Å; Y584-L651 HydrophobicContact CG-CD1 4.21Å; Y584-L651 HydrophobicContact CG-CG 4.09Å; F588-L651 HydrophobicContact CE2-CD2 4.23Å; F588-L651 HydrophobicContact CZ-CD2 4.27Å; F638-L651 HydrophobicContact CE1-CB 3.94Å; F638-L651 HydrophobicContact CZ-CB 4.06Å; F638-L651 HydrophobicContact CZ-CD2 4.32Å; L648-L651 HydrophobicContact CD2-CD1 4.26Å; L648-L651 HydrophobicContact CD2-CD2 4.09Å; L648-L651 PolarHBondContact O-N 2.79Å; H649-L651 VanDerWaalsContact C-N 3.29Å; H649-L651 PolarHBondContact O-N 3.5Å
652	C	84.7	Confident	73	Confident	15 Å²	15	54.5 Å²	54.5	10%	0.101	31%	0.307	C	S	.	.	G	3₁₀ helix	trans	-96.9	-4.9	178.5	-75.4	0	0	0	0	114.9	F638 R639 I644 H649 D650	F638-C652 VanDerWaalsContact CE1-SG 3.54Å; R639-C652 PolarHBondContact NH1-O 3.18Å; R639-C652 VanDerWaalsContact NH1-O 3.09Å; R639-C652 VanDerWaalsContact NH2-C 3.33Å; R639-C652 PolarHBondContact NH2-O 3.45Å; I644-C652 HydrophobicContact CD1-CB 4.35Å; H649-C652 PolarHBondContact O-N 3.49Å; D650-C652 PolarHBondContact O-N 2.83Å; D650-C652 VanDerWaalsContact O-N 3.17Å
653	K	78.5	Confident	71.8	Confident	106 Å²	106	54 Å²	54	46%	0.461	29%	0.294	S	S	.	.	S	Bend	trans	-58.4	157.8	173.5	-73.8	172	170.7	164.5	0	111.1	R639 D650	R639-K653 PolarHBondContact NH2-O 3.46Å; D650-K653 HydrophobicContact CB-CD 4.32Å; D650-K653 WeakPolarHBondContact O-CB 3.45Å; D650-K653 PolarHBondContact O-N 3.47Å; D650-K653 WeakPolarHBondContact OD1-CE 3.36Å; D650-K653 IonicContact OD1-NZ 2.81Å; D650-K653 PolarHBondContact OD1-NZ 3.21Å
654	L	66.4	Low	70.8	Confident	85 Å²	85	54.9 Å²	54.9	45%	0.445	30%	0.298	S	S	.	.			trans	-95.6	130.6	179.7	-67.8	168.2	0	0	0	109.7	G656 M659 D661	L654-G656 PolarHBondContact O-N 2.82Å; L654-M659 WeakPolarHBondContact CD1-O 3.48Å; L654-D661 HydrophobicContact CD2-CB 4.04Å
655	C	61.3	Low	69.8	Low	13 Å²	13	60.6 Å²	60.6	9%	0.088	33%	0.328	C	S	.	.	S	Bend	trans	-83.2	42.9	-163.8	-48	0	0	0	0	113.8	R363 H579 T582 D583 M659	R363-C655 PolarHBondContact NH1-O 3.46Å; H579-C655 HydrophobicContact CB-CB 3.91Å; H579-C655 VanDerWaalsContact O-CB 3.25Å; H579-C655 WeakPolarHBondContact O-CB 3.46Å; T582-C655 VanDerWaalsContact CA-SG 3.59Å; D583-C655 WeakPolarHBondContact OD1-CB 3.28Å; D583-C655 PolarHBondContact OD1-SG 2.93Å; D583-C655 PolarHBondContact OD2-SG 3.46Å; D583-C655 VanDerWaalsContact OD2-SG 3.36Å; C655-M659 HydrophobicContact CB-CE 4.24Å; C655-M659 HydrophobicContact CB-SD 3.73Å
656	G	57.5	Low	69.2	Low	34 Å²	34	60.1 Å²	60.1	35%	0.351	33%	0.325	S	S	.	.	S	Bend	trans	137	165.8	-179.9	0	0	0	0	0	114.2	L654	L654-G656 PolarHBondContact O-N 2.82Å
657	P	46	Very low	68.9	Low	126 Å²	126	63.2 Å²	63.2	82%	0.818	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.3	152.4	170.4	29.4	-35	0	0	0	111	M659	P657-M659 PolarHBondContact O-N 3.21Å
658	G	45	Very low	68.7	Low	62 Å²	62	63.3 Å²	63.3	64%	0.639	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.9	-10.2	176.4	0	0	0	0	0	116.2	W660	G658-W660 VanDerWaalsContact C-N 3.26Å; G658-W660 VanDerWaalsContact O-CD1 3.23Å; G658-W660 PolarHBondContact O-N 3.24Å
659	M	54.3	Low	68.4	Low	16 Å²	16	65.8 Å²	65.8	8%	0.079	36%	0.355	C	S	.	.			trans	-74.4	72.4	173.3	-72.7	-172.8	65.6	0	0	112.6	Y360 L654 C655 P657 D661	Y360-M659 HydrophobicContact CD2-CE 4.42Å; L654-M659 WeakPolarHBondContact CD1-O 3.48Å; C655-M659 HydrophobicContact CB-CE 4.24Å; C655-M659 HydrophobicContact CB-SD 3.73Å; P657-M659 PolarHBondContact O-N 3.21Å; M659-D661 VanDerWaalsContact C-N 3.27Å; M659-D661 PolarHBondContact O-N 3.41Å
660	W	48.8	Very low	68	Low	235 Å²	235	64.1 Å²	64.1	89%	0.89	35%	0.349	S	S	*	.			trans	-73.7	74.7	172.1	-62	91.8	0	0	0	111.3	G658 S662	G658-W660 VanDerWaalsContact C-N 3.26Å; G658-W660 VanDerWaalsContact O-CD1 3.23Å; G658-W660 PolarHBondContact O-N 3.24Å; W660-S662 PolarHBondContact O-N 3.04Å
661	D	55.6	Low	67.3	Low	29 Å²	29	66.8 Å²	66.8	16%	0.155	37%	0.369	C	S	.	.			trans	-73.9	107.7	170.2	-168	-2.6	0	0	0	110.1	Q581 L654 M659 R663	Q581-D661 PolarHBondContact NE2-OD2 3.36Å; L654-D661 HydrophobicContact CD2-CB 4.04Å; M659-D661 VanDerWaalsContact C-N 3.27Å; M659-D661 PolarHBondContact O-N 3.41Å; D661-R663 PolarHBondContact O-N 3.01Å; D661-R663 VanDerWaalsContact O-N 3.15Å; D661-R663 WeakPolarHBondContact OD1-CB 3.34Å; D661-R663 WeakPolarHBondContact OD1-CG 3.17Å; D661-R663 PolarHBondContact OD1-N 3.49Å; D661-R663 VanDerWaalsContact OD1-N 3.12Å; D661-R663 IonicContact OD1-NE 3.13Å
662	S	52.5	Low	66.2	Low	126 Å²	126	69.5 Å²	69.5	88%	0.881	40%	0.397	S	S	*	.			trans	-71.6	2.9	178	-51.7	0	0	0	0	114.2	W660	W660-S662 PolarHBondContact O-N 3.04Å
663	R	60.8	Low	65.2	Low	76 Å²	76	76.8 Å²	76.8	29%	0.287	43%	0.429	S	S	.	.	S	Bend	trans	-73.1	160.8	176.6	-68.2	-179.2	-149.9	-127.4	0.1	112	E334 Y580 Q581 D661 I665	E334-R663 IonicContact OE1-CZ 2.71Å; E334-R663 IonicContact OE1-NH2 3.78Å; E334-R663 PolarHBondContact OE1-NH2 2.93Å; Y580-R663 PolarHBondContact OH-NH2 3.32Å; Q581-R663 VanDerWaalsContact NE2-CD 3.3Å; Q581-R663 VanDerWaalsContact NE2-NE 3.1Å; D661-R663 PolarHBondContact O-N 3.01Å; D661-R663 VanDerWaalsContact O-N 3.15Å; D661-R663 WeakPolarHBondContact OD1-CB 3.34Å; D661-R663 WeakPolarHBondContact OD1-CG 3.17Å; D661-R663 PolarHBondContact OD1-N 3.49Å; D661-R663 VanDerWaalsContact OD1-N 3.12Å; D661-R663 IonicContact OD1-NE 3.13Å; R663-I665 PolarHBondContact O-N 3.45Å
664	Y	65.4	Low	64.8	Low	119 Å²	119	73.8 Å²	73.8	47%	0.467	42%	0.417	S	S	.	.	P	Polyproline II helix	trans	-59.8	128.3	179.4	-179.6	-102.1	0	0	0	111.8	P642 P666 T667	P642-Y664 PolarHBondContact O-OH 3.47Å; Y664-P666 HydrophobicContact CE1-CB 4.47Å; Y664-T667 PolarHBondContact OH-OG1 2.98Å
665	I	69.3	Low	64.3	Low	122 Å²	122	75.9 Å²	75.9	63%	0.626	44%	0.436	S	S	*	.	P	Polyproline II helix	trans	-89.2	123.2	169.7	-61	176	0	0	0	107.4	R663	R663-I665 PolarHBondContact O-N 3.45Å
666	P	76.6	Confident	64	Low	6 Å²	6	83 Å²	83	4%	0.039	47%	0.473	C	S	.	.	P	Polyproline II helix	trans	-66.9	146	-176.9	28	-36	0	0	0	112.5	L641 I644 Y664 V668	L641-P666 WeakPolarHBondContact O-CB 3.38Å; I644-P666 HydrophobicContact CB-CB 4.38Å; I644-P666 HydrophobicContact CB-CG 4.45Å; I644-P666 HydrophobicContact CD1-CB 4.41Å; I644-P666 HydrophobicContact CD1-CG 3.67Å; I644-P666 HydrophobicContact CG1-CB 3.97Å; I644-P666 HydrophobicContact CG1-CG 3.78Å; I644-P666 HydrophobicContact CG2-CB 3.8Å; I644-P666 HydrophobicContact CG2-CG 3.91Å; Y664-P666 HydrophobicContact CE1-CB 4.47Å; P666-V668 PolarHBondContact O-N 3.15Å
667	T	81.8	Confident	63.8	Low	66 Å²	66	84 Å²	84	41%	0.405	47%	0.474	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	128.4	175.7	-51.9	0	0	0	0	110	P642 R643 I644 Y664	P642-T667 PolarHBondContact O-N 2.81Å; P642-T667 PolarHBondContact O-OG1 2.83Å; R643-T667 CarbonylContact C-O 3.54Å; R643-T667 WeakPolarHBondContact CA-O 3.18Å; I644-T667 PolarHBondContact N-O 2.8Å; Y664-T667 PolarHBondContact OH-OG1 2.98Å
668	V	83.9	Confident	64.3	Low	23 Å²	23	87.3 Å²	87.3	14%	0.139	48%	0.484	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	131.1	179.5	-174.3	0	0	0	0	111	I644 C646 P666 G684 T685	I644-V668 CarbonylContact O-C 3.54Å; I644-V668 WeakPolarHBondContact O-CA 3.34Å; C646-V668 VanDerWaalsContact CA-CG1 3.49Å; C646-V668 HydrophobicContact CB-CG1 3.56Å; P666-V668 PolarHBondContact O-N 3.15Å; V668-G684 VanDerWaalsContact O-CA 3.24Å; V668-G684 WeakPolarHBondContact O-CA 3.41Å; V668-T685 PolarHBondContact O-N 2.88Å
669	E	83.6	Confident	65.1	Low	53 Å²	53	88.6 Å²	88.6	25%	0.248	48%	0.483	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	129.7	169.5	-56.7	-156.6	-134.5	0	0	110.6	R643 I644 C646	R643-E669 HydrophobicContact CB-CG 3.99Å; R643-E669 WeakPolarHBondContact CB-OE1 3.39Å; R643-E669 WeakPolarHBondContact CD-OE1 3.47Å; R643-E669 IonicContact CZ-OE1 3.02Å; R643-E669 IonicContact CZ-OE2 2.96Å; R643-E669 IonicContact NE-OE1 3.97Å; R643-E669 PolarHBondContact NE-OE1 3.18Å; R643-E669 IonicContact NE-OE2 3.69Å; R643-E669 IonicContact NH1-OE1 2.7Å; R643-E669 PolarHBondContact NH1-OE1 2.97Å; R643-E669 IonicContact NH1-OE2 2.65Å; R643-E669 PolarHBondContact NH1-OE2 3.48Å; R643-E669 IonicContact NH2-OE1 2.96Å; R643-E669 IonicContact NH2-OE2 3.24Å; R643-E669 PolarHBondContact NH2-OE2 3.27Å; I644-E669 PolarHBondContact O-N 2.82Å; C646-E669 WeakPolarHBondContact CB-O 3.37Å; C646-E669 PolarHBondContact N-O 3.41Å
670	C	80.3	Confident	66	Low	19 Å²	19	88.5 Å²	88.5	13%	0.128	48%	0.484	C	S	.	.			trans	-79.8	128.3	174.5	-174.1	0	0	0	0	110.8	G672 C680 G684 T685	C670-G672 VanDerWaalsContact C-N 3.31Å; C670-G672 PolarHBondContact SG-N 3.22Å; C670-C680 HydrophobicContact CB-CB 3.84Å; C670-G684 WeakPolarHBondContact CB-O 3.36Å; C670-T685 PolarHBondContact N-O 3.27Å
671	S	71.6	Confident	66.9	Low	71 Å²	71	81.4 Å²	81.4	50%	0.497	47%	0.468	S	S	.	.			trans	-74.3	-22.1	169.6	58.7	0	0	0	0	113.1	C646 E673	C646-S671 PolarHBondContact SG-N 3.14Å; S671-E673 VanDerWaalsContact C-N 3.3Å
672	G	66	Low	67.6	Low	57 Å²	57	84.2 Å²	84.2	59%	0.588	48%	0.477	S	S	*	.	S	Bend	trans	86.9	-10.6	-175.2	0	0	0	0	0	114.5	C670 H674	C670-G672 VanDerWaalsContact C-N 3.31Å; C670-G672 PolarHBondContact SG-N 3.22Å; G672-H674 PolarHBondContact O-N 2.59Å; G672-H674 VanDerWaalsContact O-N 3.16Å
673	E	65.1	Low	67.9	Low	169 Å²	169	81.4 Å²	81.4	79%	0.79	47%	0.468	S	S	*	.			trans	-89.3	77.8	-176.5	-64.9	-177.9	167.2	0	0	111.1	S671	S671-E673 VanDerWaalsContact C-N 3.3Å
674	H	69.1	Low	68	Low	42 Å²	42	78.2 Å²	78.2	19%	0.194	46%	0.46	C	S	.	.			trans	-131.1	122.9	178.9	-59	-26.7	0	0	0	110	C646 G672 D676 S677 C680 P681	C646-H674 VanDerWaalsContact SG-CE1 3.54Å; G672-H674 PolarHBondContact O-N 2.59Å; G672-H674 VanDerWaalsContact O-N 3.16Å; H674-D676 PolarHBondContact O-N 3.17Å; H674-S677 VanDerWaalsContact CB-OG 3.29Å; H674-S677 WeakPolarHBondContact CB-OG 3.5Å; H674-C680 PolarHBondContact NE2-SG 3.01Å; H674-C680 VanDerWaalsContact NE2-SG 3.42Å; H674-P681 WeakPolarHBondContact CD2-CD 3.31Å
675	P	55.4	Low	67.9	Low	130 Å²	130	76.4 Å²	76.4	84%	0.844	46%	0.461	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.8	-34.7	-167.6	-31	36.8	0	0	0	117.1
676	D	55.3	Low	67.3	Low	163 Å²	163	75.1 Å²	75.1	87%	0.872	46%	0.463	S	S	*	.	T	Hydrogen-bonded Turn	trans	-137	18.1	-166.1	-74	-75	0	0	0	114.7	H674	H674-D676 PolarHBondContact O-N 3.17Å
677	S	53.6	Low	66.1	Low	53 Å²	53	78.9 Å²	78.9	37%	0.371	49%	0.485	S	S	.	.			trans	-128.5	123.2	-171.3	66.8	0	0	0	0	115.6	H674 S679	H674-S677 VanDerWaalsContact CB-OG 3.29Å; H674-S677 WeakPolarHBondContact CB-OG 3.5Å; S677-S679 VanDerWaalsContact CB-O 3.28Å; S677-S679 WeakPolarHBondContact CB-O 3.12Å; S677-S679 PolarHBondContact O-N 3.22Å; S677-S679 VanDerWaalsContact O-N 3.12Å; S677-S679 PolarHBondContact OG-O 3.03Å
678	L	57	Low	63.9	Low	196 Å²	196	81.5 Å²	81.5	100%	1.026	50%	0.504	S	S	*	.	S	Bend	trans	-65.6	-6.8	173.4	-73.9	165.8	0	0	0	114.4
679	S	61.3	Low	61.6	Low	89 Å²	89	88.9 Å²	88.9	62%	0.622	54%	0.537	S	S	*	.	S	Bend	trans	-146.2	164.4	179	56.3	0	0	0	0	110	S677	S677-S679 VanDerWaalsContact CB-O 3.28Å; S677-S679 WeakPolarHBondContact CB-O 3.12Å; S677-S679 PolarHBondContact O-N 3.22Å; S677-S679 VanDerWaalsContact O-N 3.12Å; S677-S679 PolarHBondContact OG-O 3.03Å
680	C	72.7	Confident	59.2	Low	15 Å²	15	92.5 Å²	92.5	10%	0.101	57%	0.565	C	S	.	*			trans	-70.9	124.9	177	-170.2	0	0	0	0	110.8	C646 C670 H674 Y682 G683 G684	C646-C680 VanDerWaalsContact CB-SG 3.57Å; C670-C680 HydrophobicContact CB-CB 3.84Å; H674-C680 PolarHBondContact NE2-SG 3.01Å; H674-C680 VanDerWaalsContact NE2-SG 3.42Å; C680-Y682 PolarHBondContact O-N 3.21Å; C680-G683 PolarHBondContact O-N 3.35Å; C680-G683 VanDerWaalsContact O-N 3.1Å; C680-G684 WeakPolarHBondContact CB-O 3.22Å
681	P	68.5	Low	56.8	Low	86 Å²	86	97.2 Å²	97.2	56%	0.558	60%	0.598	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66	-18.9	176.7	27.8	-33.4	0	0	0	112.6	H674	H674-P681 WeakPolarHBondContact CD2-CD 3.31Å
682	Y	68.9	Low	54.8	Low	87 Å²	87	99 Å²	99	34%	0.341	61%	0.61	S	S	.	*	T	Hydrogen-bonded Turn	trans	-98.4	17.6	176.5	-50.9	-66.7	0	0	0	113.1	C646 H649 C680 G684	C646-Y682 HydrophobicContact CB-CD2 4.02Å; C646-Y682 WeakPolarHBondContact O-CD2 3.41Å; H649-Y682 HydrophobicContact CB-CD1 4.03Å; H649-Y682 HydrophobicContact CB-CG 3.97Å; H649-Y682 AromaticContact CG-CD1 3.73Å; H649-Y682 AromaticContact ND1-CD1 3.38Å; H649-Y682 WeakPolarHBondContact ND1-CD1 3.27Å; C680-Y682 PolarHBondContact O-N 3.21Å; Y682-G684 PolarHBondContact O-N 3.44Å; Y682-G684 VanDerWaalsContact O-N 3.09Å
683	G	59.4	Low	53.3	Low	67 Å²	67	102.2 Å²	102.2	69%	0.691	62%	0.621	S	S	*	*			trans	68.8	5.9	176.4	0	0	0	0	0	115.6	C680	C680-G683 PolarHBondContact O-N 3.35Å; C680-G683 VanDerWaalsContact O-N 3.1Å
684	G	64.2	Low	51.8	Low	10 Å²	10	100 Å²	100	10%	0.103	62%	0.624	C	S	.	*	P	Polyproline II helix	trans	-63.5	135.2	-176.8	0	0	0	0	0	113.3	V668 C670 C680 Y682	V668-G684 VanDerWaalsContact O-CA 3.24Å; V668-G684 WeakPolarHBondContact O-CA 3.41Å; C670-G684 WeakPolarHBondContact CB-O 3.36Å; C680-G684 WeakPolarHBondContact CB-O 3.22Å; Y682-G684 PolarHBondContact O-N 3.44Å; Y682-G684 VanDerWaalsContact O-N 3.09Å
685	T	62.6	Low	50	Low	80 Å²	80	106.4 Å²	106.4	49%	0.491	66%	0.659	S	S	.	*	B	Isolated β-bridge	trans	-73	136.2	172.5	52.2	0	0	0	0	109.9	V668 C670	V668-T685 PolarHBondContact O-N 2.88Å; C670-T685 PolarHBondContact N-O 3.27Å
686	S	57.2	Low	48.8	Very low	95 Å²	95	105.2 Å²	105.2	66%	0.664	65%	0.654	S	S	*	*	P	Polyproline II helix	trans	-75.1	138	168.1	44.7	0	0	0	0	109.9
687	T	49.7	Very low	47.6	Very low	85 Å²	85	102.8 Å²	102.8	52%	0.521	65%	0.649	S	S	.	*	P	Polyproline II helix	trans	-72.5	127.9	169.4	36.6	0	0	0	0	109.3	Q689	T687-Q689 PolarHBondContact O-N 3.46Å
688	P	36.6	Very low	46.5	Very low	122 Å²	122	105.5 Å²	105.5	79%	0.792	67%	0.669	S	S	*	*			trans	-69.5	115.8	178.1	27.2	-32.8	0	0	0	109.6
689	Q	35.6	Very low	46	Very low	178 Å²	178	101.5 Å²	101.5	83%	0.832	65%	0.654	S	S	*	*			trans	-62.2	138.8	171.2	-72.9	-170.4	-13.8	0	0	110.1	T687 S691	T687-Q689 PolarHBondContact O-N 3.46Å; Q689-S691 PolarHBondContact O-N 3.11Å; Q689-S691 VanDerWaalsContact O-N 3.12Å
690	P	32.2	Very low	44.4	Very low	128 Å²	128	104.3 Å²	104.3	83%	0.831	66%	0.662	S	S	*	*			trans	-66.5	112.6	173.3	27.6	-33	0	0	0	109.5	S692	P690-S692 PolarHBondContact O-N 3.03Å
691	S	31.2	Very low	42.4	Very low	118 Å²	118	111.7 Å²	111.7	83%	0.825	70%	0.695	S	S	*	*			trans	-63	114.7	-176.9	56.3	0	0	0	0	111.8	Q689	Q689-S691 PolarHBondContact O-N 3.11Å; Q689-S691 VanDerWaalsContact O-N 3.12Å
692	S	29	Very low	40.4	Very low	108 Å²	108	113.9 Å²	113.9	76%	0.755	71%	0.707	S	S	*	*	P	Polyproline II helix	trans	-68.8	144.9	167.1	48.2	0	0	0	0	110.6	P690	P690-S692 PolarHBondContact O-N 3.03Å
693	P	33.8	Very low	39.4	Very low	126 Å²	126	115 Å²	115	82%	0.818	72%	0.724	S	S	*	*	P	Polyproline II helix	trans	-73.7	132.4	-171.4	28.4	-34.6	0	0	0	112.2	L695	P693-L695 PolarHBondContact O-N 3.21Å
694	S	34	Very low	37.9	Very low	121 Å²	121	118.7 Å²	118.7	85%	0.846	73%	0.734	S	S	*	*	P	Polyproline II helix	trans	-69.5	126.3	176.4	56.7	0	0	0	0	112.2
695	L	30.8	Very low	36.8	Very low	178 Å²	178	123.6 Å²	123.6	93%	0.932	76%	0.764	S	S	*	*	P	Polyproline II helix	trans	-99.4	130.3	164	-89.1	163.6	0	0	0	110.4	P693	P693-L695 PolarHBondContact O-N 3.21Å
696	S	30.6	Very low	35.2	Very low	105 Å²	105	127.8 Å²	127.8	73%	0.734	78%	0.783	S	S	*	*	P	Polyproline II helix	trans	-96.9	172.4	-172	56.1	0	0	0	0	113.7
697	S	30.1	Very low	33.8	Very low	111 Å²	111	126.8 Å²	126.8	78%	0.776	79%	0.788	S	S	*	*			trans	87.6	143.3	174.8	82.9	0	0	0	0	115.4
698	S	30.7	Very low	33.1	Very low	111 Å²	111	132.4 Å²	132.4	78%	0.776	81%	0.806	S	S	*	*			cis	-157.2	165.8	-13	-111	0	0	0	0	110.9
699	P	46.7	Very low	32.8	Very low	111 Å²	111	138.7 Å²	138.7	72%	0.721	81%	0.814	S	S	*	*			trans	-93.7	164	-161.9	37.1	-37.5	0	0	0	115
700	N	28.5	Very low	32.4	Very low	148 Å²	148	133.7 Å²	133.7	79%	0.791	81%	0.809	S	S	*	*			trans	-165.3	161.5	137.4	-113.4	-27.8	0	0	0	115.7
701	H	29.2	Very low	32.5	Very low	171 Å²	171	133.5 Å²	133.5	79%	0.792	81%	0.811	S	S	*	*			trans	69	104.8	167.6	-69.1	-64.2	0	0	0	121.7
702	T	27.6	Very low	32.3	Very low	131 Å²	131	137.8 Å²	137.8	80%	0.804	82%	0.815	S	S	*	*			trans	-96.5	-173.5	153.1	53.1	0	0	0	0	109.8
703	P	48.9	Very low	32.4	Very low	110 Å²	110	142.2 Å²	142.2	71%	0.714	82%	0.821	S	S	*	*				-130.6	178.6	-64.7	39.4	-24.6	0	0	0	112.6
704	T	27.2	Very low	32.1	Very low	145 Å²	145	147.6 Å²	147.6	89%	0.89	83%	0.825	S	S	*	*			trans	-172.2	165.2	145	16.9	0	0	0	0	111.6
705	P	41.1	Very low	31.7	Very low	113 Å²	113	148.6 Å²	148.6	73%	0.734	82%	0.82	S	S	*	*			trans	-120.9	-167.2	-157.7	45.5	-35.8	0	0	0	117
706	D	28.3	Very low	31.5	Very low	168 Å²	168	148.3 Å²	148.3	90%	0.898	82%	0.818	S	S	*	*			trans	84	137.9	164.8	-90.3	-44.2	0	0	0	120.7
707	G	27.4	Very low	31.3	Very low	75 Å²	75	152.4 Å²	152.4	77%	0.773	82%	0.823	S	S	*	*			trans	151.6	79.7	173.4	0	0	0	0	0	116.9
708	K	35	Very low	31.1	Very low	203 Å²	203	153.4 Å²	153.4	88%	0.883	83%	0.825	S	S	*	*			trans	-74.3	125.8	174.4	-71.2	177.6	179.6	172.9	0	113.4
709	R	30.4	Very low	30.9	Very low	254 Å²	254	158.3 Å²	158.3	96%	0.958	83%	0.832	S	S	*	*			trans	179.9	154.9	146.1	-95.5	151.7	-161.2	-147.9	5.6	107.4
710	G	27.3	Very low	29.9	Very low	72 Å²	72	164.2 Å²	164.2	74%	0.742	84%	0.84	S	S	*	*			cis	151.5	111	3.3	0	0	0	0	0	108.4
711	S	35.2	Very low	29.8	Very low	124 Å²	124	166.8 Å²	166.8	87%	0.867	84%	0.844	S	S	*	*			trans	-64.5	144.6	-162.7	-35.4	0	0	0	0	114.9
712	K	27.7	Very low	30	Very low	209 Å²	209	167.8 Å²	167.8	91%	0.909	85%	0.849	S	S	*	*			trans	-160.2	140.3	151.2	-114.9	165.8	-173	-177.5	0	112.5
713	K	29.9	Very low	30.8	Very low	201 Å²	201	171 Å²	171	87%	0.874	88%	0.878	S	S	*	*			trans	-66.4	163.9	165.1	-65.2	-176.7	175.3	-173.4	0	109.9
714	R	26.9	Very low	29.9	Very low	239 Å²	239	174.1 Å²	174.1	90%	0.902	89%	0.886	S	S	*	*			trans	-142.7	145.8	164.8	-140	174.5	-171.9	174.8	0.7	110.1
715	D	25.6	Very low	30	Very low	142 Å²	142	175.6 Å²	175.6	76%	0.759	89%	0.886	S	S	*	*	P	Polyproline II helix	trans	-91.5	155.5	-160.1	-42.4	-88.5	0	0	0	112.8
716	I	26.7	Very low	29.4	Very low	172 Å²	172	179.1 Å²	179.1	88%	0.882	89%	0.894	S	S	*	*	P	Polyproline II helix	trans	-96.4	139.7	171.7	-66.7	177.2	0	0	0	108.9
717	F	27.3	Very low	29.5	Very low	191 Å²	191	179.8 Å²	179.8	84%	0.838	89%	0.894	S	S	*	*	P	Polyproline II helix	trans	-79.4	138.5	-170	-89.4	-107.9	0	0	0	113.5
718	T	25.1	Very low	29.6	Very low	132 Å²	132	186.3 Å²	186.3	81%	0.81	90%	0.901	S	S	*	*	P	Polyproline II helix	trans	-80.6	135.7	163.6	44.8	0	0	0	0	110.8
719	F	26	Very low	29.3	Very low	214 Å²	214	185.2 Å²	185.2	94%	0.939	90%	0.902	S	S	*	*	P	Polyproline II helix	trans	-93.5	154.4	166.5	-101.5	-91.7	0	0	0	111.7
720	R	25.8	Very low	29.2	Very low	234 Å²	234	180.3 Å²	180.3	88%	0.883	90%	0.898	S	S	*	*			trans	-118	126.4	-159.2	-167.5	179.8	-171.4	171.6	2.6	110.3
721	K	27.9	Very low	29.3	Very low	203 Å²	203	188.6 Å²	188.6	88%	0.883	91%	0.91	S	S	*	*			trans	-59.6	144.2	167.9	-74.9	-174.2	174.4	-177.5	0	110.2
722	Q	32.1	Very low	28.8	Very low	191 Å²	191	194 Å²	194	89%	0.893	91%	0.914	S	S	*	*			trans	-97.7	162.4	158.1	-72.1	-171.6	-14.7	0	0	109.7
723	S	44.8	Very low	28.9	Very low	200 Å²	200	192.6 Å²	192.6	100%	1.399	92%	0.915	S	S	*	*			trans	-78.4	0	-164.2	-48.2	0	0	0	0	114.6

Retrieved 723 of 723 residues in 931.6 ms (Link to these results)

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