A0A077ZG42_TRITR Loading...

Polypeptide N-acetylgalactosaminyltransferase

AlphaFold DB , UniProt , Accession A0A077ZG42, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 679 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	46.3	Very low	58.5	Low	215 Å²	215	125.5 Å²	125.5	100%	1.059	64%	0.643	S	S	*	*				0	-54.7	0	-67.6	-151.9	-74.9	0	0	112.6	N3 G4 E5	M1-N3 VanDerWaalsContact C-N 3.34Å; M1-N3 PolarHBondContact O-N 3.45Å; M1-G4 PolarHBondContact O-N 3.36Å; M1-E5 PolarHBondContact O-N 2.85Å
2	R	50.7	Low	59	Low	212 Å²	212	131.4 Å²	131.4	80%	0.8	65%	0.651	S	S	*	*	H	α-helix	trans	-53.7	-37.4	179.9	-79.4	-175.6	-177.2	176.6	1	116.2
3	N	53.6	Low	59.6	Low	142 Å²	142	125.3 Å²	125.3	76%	0.759	63%	0.634	S	S	*	*	H	α-helix	trans	-71.1	-30.4	178.6	-71	3.5	0	0	0	113.4	M1 V6 E7	M1-N3 VanDerWaalsContact C-N 3.34Å; M1-N3 PolarHBondContact O-N 3.45Å; N3-V6 PolarHBondContact O-N 2.93Å; N3-E7 PolarHBondContact O-N 3.36Å
4	G	49.4	Very low	59.6	Low	36 Å²	36	122.4 Å²	122.4	37%	0.371	62%	0.617	S	S	.	*	H	α-helix	trans	-73.2	-29.5	178.9	0	0	0	0	0	113	M1 L8	M1-G4 PolarHBondContact O-N 3.36Å; G4-L8 WeakPolarHBondContact O-CB 3.5Å; G4-L8 PolarHBondContact O-N 3.3Å
5	E	59.5	Low	59.8	Low	131 Å²	131	120.4 Å²	120.4	61%	0.612	61%	0.613	S	S	*	*	H	α-helix	trans	-67.6	-38.1	174.3	-74	178.3	147.6	0	0	111.9	M1 L8 V9	M1-E5 PolarHBondContact O-N 2.85Å; E5-L8 PolarHBondContact O-N 2.78Å; E5-V9 VanDerWaalsContact O-CG2 3.29Å; E5-V9 WeakPolarHBondContact O-CG2 3.39Å; E5-V9 PolarHBondContact O-N 2.96Å
6	V	66.6	Low	60	Low	99 Å²	99	114.7 Å²	114.7	60%	0.6	59%	0.593	S	S	*	*	H	α-helix	trans	-66.4	-43.9	177.9	179.3	0	0	0	0	111.1	N3 V9 H10	N3-V6 PolarHBondContact O-N 2.93Å; V6-V9 PolarHBondContact O-N 3.32Å; V6-H10 PolarHBondContact O-N 3.04Å
7	E	60.8	Low	60	Low	143 Å²	143	117.2 Å²	117.2	67%	0.668	59%	0.593	S	S	*	*	H	α-helix	trans	-60.8	-45.8	174.6	-107.6	-177.1	161.2	0	0	111.7	N3 V9 H10 T11	N3-E7 PolarHBondContact O-N 3.36Å; E7-V9 VanDerWaalsContact C-N 3.31Å; E7-V9 PolarHBondContact O-N 3.48Å; E7-H10 PolarHBondContact O-N 3.27Å; E7-H10 VanDerWaalsContact O-N 3.11Å; E7-T11 PolarHBondContact O-N 3.34Å; E7-T11 PolarHBondContact O-OG1 3.33Å
8	L	61.2	Low	59.9	Low	112 Å²	112	119.6 Å²	119.6	59%	0.586	60%	0.595	S	S	*	*	H	α-helix	trans	-60.1	-38.4	177.8	-104.1	152.9	0	0	0	113.1	G4 E5 R12	G4-L8 WeakPolarHBondContact O-CB 3.5Å; G4-L8 PolarHBondContact O-N 3.3Å; E5-L8 PolarHBondContact O-N 2.78Å; L8-R12 WeakPolarHBondContact O-CB 3.39Å; L8-R12 PolarHBondContact O-N 3.03Å
9	V	68.5	Low	59.6	Low	104 Å²	104	116.2 Å²	116.2	63%	0.63	58%	0.584	S	S	*	*	H	α-helix	trans	-66.6	-42.3	174.8	171.2	0	0	0	0	110.7	E5 V6 E7 R12 A13	E5-V9 VanDerWaalsContact O-CG2 3.29Å; E5-V9 WeakPolarHBondContact O-CG2 3.39Å; E5-V9 PolarHBondContact O-N 2.96Å; V6-V9 PolarHBondContact O-N 3.32Å; E7-V9 VanDerWaalsContact C-N 3.31Å; E7-V9 PolarHBondContact O-N 3.48Å; V9-R12 PolarHBondContact O-N 2.9Å; V9-A13 WeakPolarHBondContact O-CB 3.36Å; V9-A13 PolarHBondContact O-N 3.47Å
10	H	65.7	Low	59.6	Low	110 Å²	110	115.8 Å²	115.8	51%	0.509	58%	0.583	S	S	.	*	H	α-helix	trans	-65.2	-44.7	178.5	-139.5	-78.2	0	0	0	111.7	V6 E7 R12 A13 E14	V6-H10 PolarHBondContact O-N 3.04Å; E7-H10 PolarHBondContact O-N 3.27Å; E7-H10 VanDerWaalsContact O-N 3.11Å; H10-R12 PolarHBondContact O-N 3.24Å; H10-A13 PolarHBondContact O-N 2.75Å; H10-E14 IonicContact ND1-OE1 3.79Å; H10-E14 PolarHBondContact O-N 2.93Å
11	T	61.5	Low	59.7	Low	77 Å²	77	113 Å²	113	47%	0.472	57%	0.574	S	S	.	*	H	α-helix	trans	-64.4	-40.7	176.5	-48.9	0	0	0	0	111.3	E7 A13 E14 V15	E7-T11 PolarHBondContact O-N 3.34Å; E7-T11 PolarHBondContact O-OG1 3.33Å; T11-A13 VanDerWaalsContact C-N 3.34Å; T11-A13 PolarHBondContact O-N 3.24Å; T11-E14 PolarHBondContact O-N 3.28Å; T11-V15 HydrophobicContact CG2-CG2 4.49Å; T11-V15 WeakPolarHBondContact O-CB 3.44Å; T11-V15 VanDerWaalsContact O-CG2 3.26Å; T11-V15 WeakPolarHBondContact O-CG2 3.37Å; T11-V15 PolarHBondContact O-N 2.88Å
12	R	64.7	Low	60.2	Low	196 Å²	196	107.9 Å²	107.9	74%	0.74	55%	0.551	S	S	*	*	H	α-helix	trans	-61.9	-40.3	172.9	-90.6	-176.9	171.5	172.9	-1.3	112.4	L8 V9 H10 G16	L8-R12 WeakPolarHBondContact O-CB 3.39Å; L8-R12 PolarHBondContact O-N 3.03Å; V9-R12 PolarHBondContact O-N 2.9Å; H10-R12 PolarHBondContact O-N 3.24Å; R12-G16 PolarHBondContact O-N 3.32Å
13	A	65.7	Low	60.8	Low	52 Å²	52	104.9 Å²	104.9	43%	0.43	54%	0.544	S	S	.	.	H	α-helix	trans	-67.9	-35.6	177.5	0	0	0	0	0	112.3	V9 H10 T11 R17	V9-A13 WeakPolarHBondContact O-CB 3.36Å; V9-A13 PolarHBondContact O-N 3.47Å; H10-A13 PolarHBondContact O-N 2.75Å; T11-A13 VanDerWaalsContact C-N 3.34Å; T11-A13 PolarHBondContact O-N 3.24Å; A13-R17 PolarHBondContact O-N 3.15Å; A13-R17 VanDerWaalsContact O-N 3.08Å
14	E	60.7	Low	61.1	Low	85 Å²	85	103.9 Å²	103.9	40%	0.397	53%	0.534	S	S	.	.	H	α-helix	trans	-69.2	-46.7	173.2	-78	-179.2	177.2	0	0	112.1	H10 T11 G16 R17 Y18	H10-E14 IonicContact ND1-OE1 3.79Å; H10-E14 PolarHBondContact O-N 2.93Å; T11-E14 PolarHBondContact O-N 3.28Å; E14-G16 VanDerWaalsContact C-N 3.26Å; E14-G16 PolarHBondContact O-N 3.11Å; E14-R17 WeakPolarHBondContact O-CB 3.37Å; E14-R17 PolarHBondContact O-N 3.39Å; E14-Y18 VanDerWaalsContact O-CD2 3.23Å; E14-Y18 WeakPolarHBondContact O-CD2 3.13Å; E14-Y18 PolarHBondContact O-N 3.19Å
15	V	62.3	Low	61.1	Low	92 Å²	92	104.7 Å²	104.7	56%	0.558	54%	0.537	S	S	*	.	H	α-helix	trans	-58.4	-40.2	174.3	172.8	0	0	0	0	110.9	T11 R17 Y18 S19	T11-V15 HydrophobicContact CG2-CG2 4.49Å; T11-V15 WeakPolarHBondContact O-CB 3.44Å; T11-V15 VanDerWaalsContact O-CG2 3.26Å; T11-V15 WeakPolarHBondContact O-CG2 3.37Å; T11-V15 PolarHBondContact O-N 2.88Å; V15-R17 PolarHBondContact O-N 2.89Å; V15-Y18 PolarHBondContact O-N 3.23Å; V15-S19 WeakPolarHBondContact O-CB 3.43Å; V15-S19 PolarHBondContact O-N 3.22Å
16	G	62.7	Low	60.9	Low	29 Å²	29	103.1 Å²	103.1	30%	0.299	53%	0.533	S	S	.	.	H	α-helix	trans	-60.3	-43.1	173.8	0	0	0	0	0	112.9	R12 E14 S19 L20	R12-G16 PolarHBondContact O-N 3.32Å; E14-G16 VanDerWaalsContact C-N 3.26Å; E14-G16 PolarHBondContact O-N 3.11Å; G16-S19 PolarHBondContact O-N 3.43Å; G16-S19 PolarHBondContact O-OG 2.66Å; G16-L20 PolarHBondContact O-N 2.95Å; G16-L20 VanDerWaalsContact O-N 3.08Å
17	R	60.8	Low	60.4	Low	157 Å²	157	105.4 Å²	105.4	59%	0.592	53%	0.531	S	S	*	.	H	α-helix	trans	-63.9	-43	175.7	-85.3	-174	-83.6	178.3	-3.4	112.5	A13 E14 V15 S19 L20 S21	A13-R17 PolarHBondContact O-N 3.15Å; A13-R17 VanDerWaalsContact O-N 3.08Å; E14-R17 WeakPolarHBondContact O-CB 3.37Å; E14-R17 PolarHBondContact O-N 3.39Å; V15-R17 PolarHBondContact O-N 2.89Å; R17-S19 VanDerWaalsContact C-N 3.32Å; R17-S19 PolarHBondContact O-N 3.42Å; R17-L20 PolarHBondContact O-N 3.44Å; R17-S21 PolarHBondContact O-N 2.89Å
18	Y	56.7	Low	59.7	Low	161 Å²	161	103.8 Å²	103.8	63%	0.631	53%	0.525	S	S	*	.	H	α-helix	trans	-65.7	-35	174.3	-78.1	-72	0	0	0	112.4	E14 V15 L20 S21 L22	E14-Y18 VanDerWaalsContact O-CD2 3.23Å; E14-Y18 WeakPolarHBondContact O-CD2 3.13Å; E14-Y18 PolarHBondContact O-N 3.19Å; V15-Y18 PolarHBondContact O-N 3.23Å; Y18-L20 VanDerWaalsContact C-N 3.33Å; Y18-L20 PolarHBondContact O-N 2.93Å; Y18-S21 PolarHBondContact O-N 2.94Å; Y18-S21 PolarHBondContact O-OG 3.36Å; Y18-L22 WeakPolarHBondContact O-CB 3.5Å; Y18-L22 VanDerWaalsContact O-CG 3.28Å; Y18-L22 WeakPolarHBondContact O-CG 3.47Å; Y18-L22 PolarHBondContact O-N 2.91Å
19	S	55.5	Low	58.9	Low	54 Å²	54	101.5 Å²	101.5	38%	0.378	52%	0.518	S	S	.	.	H	α-helix	trans	-64.9	-36.9	175.7	84.5	0	0	0	0	112.4	V15 G16 R17 K23	V15-S19 WeakPolarHBondContact O-CB 3.43Å; V15-S19 PolarHBondContact O-N 3.22Å; G16-S19 PolarHBondContact O-N 3.43Å; G16-S19 PolarHBondContact O-OG 2.66Å; R17-S19 VanDerWaalsContact C-N 3.32Å; R17-S19 PolarHBondContact O-N 3.42Å; S19-K23 WeakPolarHBondContact O-CG 3.45Å; S19-K23 PolarHBondContact O-N 3.24Å
20	L	59.2	Low	57.8	Low	109 Å²	109	102.3 Å²	102.3	57%	0.571	52%	0.515	S	S	*	.	H	α-helix	trans	-67.9	-45.1	174.2	-80.9	157.8	0	0	0	111	G16 R17 Y18 L22 K23 E24	G16-L20 PolarHBondContact O-N 2.95Å; G16-L20 VanDerWaalsContact O-N 3.08Å; R17-L20 PolarHBondContact O-N 3.44Å; Y18-L20 VanDerWaalsContact C-N 3.33Å; Y18-L20 PolarHBondContact O-N 2.93Å; L20-L22 VanDerWaalsContact C-N 3.29Å; L20-L22 PolarHBondContact O-N 3.44Å; L20-K23 PolarHBondContact O-N 2.91Å; L20-E24 PolarHBondContact O-N 3.32Å
21	S	60.8	Low	56.8	Low	56 Å²	56	101.6 Å²	101.6	39%	0.392	51%	0.512	S	S	.	.	H	α-helix	trans	-64.4	-34.9	177.7	77	0	0	0	0	112.3	R17 Y18 E24 A25	R17-S21 PolarHBondContact O-N 2.89Å; Y18-S21 PolarHBondContact O-N 2.94Å; Y18-S21 PolarHBondContact O-OG 3.36Å; S21-E24 PolarHBondContact O-N 3.43Å; S21-A25 VanDerWaalsContact O-CB 3.3Å; S21-A25 WeakPolarHBondContact O-CB 3.33Å; S21-A25 PolarHBondContact O-N 2.9Å
22	L	56.7	Low	55.9	Low	108 Å²	108	102.6 Å²	102.6	57%	0.565	51%	0.51	S	S	*	.	H	α-helix	trans	-66.7	-44.9	174.4	-75.7	168.4	0	0	0	111.3	Y18 L20 E24 A25 D26	Y18-L22 WeakPolarHBondContact O-CB 3.5Å; Y18-L22 VanDerWaalsContact O-CG 3.28Å; Y18-L22 WeakPolarHBondContact O-CG 3.47Å; Y18-L22 PolarHBondContact O-N 2.91Å; L20-L22 VanDerWaalsContact C-N 3.29Å; L20-L22 PolarHBondContact O-N 3.44Å; L22-E24 VanDerWaalsContact C-N 3.31Å; L22-E24 PolarHBondContact O-N 3.06Å; L22-A25 WeakPolarHBondContact O-CB 3.45Å; L22-A25 PolarHBondContact O-N 3.23Å; L22-D26 PolarHBondContact O-N 3.4Å
23	K	63.2	Low	54.9	Low	150 Å²	150	96.5 Å²	96.5	65%	0.652	49%	0.494	S	S	*	.	H	α-helix	trans	-61.7	-38.1	174.4	-76.7	-177	178.5	-175.7	0	112.6	S19 L20 R27	S19-K23 WeakPolarHBondContact O-CG 3.45Å; S19-K23 PolarHBondContact O-N 3.24Å; L20-K23 PolarHBondContact O-N 2.91Å; K23-R27 VanDerWaalsContact O-CB 3.32Å; K23-R27 WeakPolarHBondContact O-CB 3.42Å; K23-R27 PolarHBondContact O-N 2.87Å
24	E	60.4	Low	53.8	Low	120 Å²	120	99.9 Å²	99.9	56%	0.561	50%	0.499	S	S	*	.	H	α-helix	trans	-68.9	-38.9	173.6	-88.9	175.7	142.4	0	0	112.3	L20 S21 L22 R27 M28	L20-E24 PolarHBondContact O-N 3.32Å; S21-E24 PolarHBondContact O-N 3.43Å; L22-E24 VanDerWaalsContact C-N 3.31Å; L22-E24 PolarHBondContact O-N 3.06Å; E24-R27 PolarHBondContact O-N 3.38Å; E24-M28 VanDerWaalsContact O-CB 3.3Å; E24-M28 WeakPolarHBondContact O-CB 3.46Å; E24-M28 VanDerWaalsContact O-CG 3.24Å; E24-M28 WeakPolarHBondContact O-CG 3.29Å; E24-M28 PolarHBondContact O-N 3.23Å
25	A	49	Very low	52.7	Low	53 Å²	53	99.5 Å²	99.5	44%	0.438	50%	0.503	S	S	.	.	H	α-helix	trans	-63.1	-42.9	174.2	0	0	0	0	0	111.6	S21 L22 M28 S29	S21-A25 VanDerWaalsContact O-CB 3.3Å; S21-A25 WeakPolarHBondContact O-CB 3.33Å; S21-A25 PolarHBondContact O-N 2.9Å; L22-A25 WeakPolarHBondContact O-CB 3.45Å; L22-A25 PolarHBondContact O-N 3.23Å; A25-M28 PolarHBondContact O-N 2.93Å; A25-S29 VanDerWaalsContact O-CB 3.29Å; A25-S29 WeakPolarHBondContact O-CB 3.36Å; A25-S29 PolarHBondContact O-N 3.41Å
26	D	55.5	Low	51.5	Low	99 Å²	99	98.9 Å²	98.9	53%	0.529	50%	0.499	S	S	.	.	H	α-helix	trans	-64.2	-45.7	174.5	-75.1	-18.9	0	0	0	110.9	L22 M28 S29 E30	L22-D26 PolarHBondContact O-N 3.4Å; D26-M28 VanDerWaalsContact C-N 3.31Å; D26-M28 PolarHBondContact O-N 3.48Å; D26-S29 CarbonylContact O-C 3.55Å; D26-S29 WeakPolarHBondContact O-CB 3.31Å; D26-S29 PolarHBondContact O-N 3.02Å; D26-S29 VanDerWaalsContact O-N 3.14Å; D26-E30 WeakPolarHBondContact O-CG 3.33Å; D26-E30 PolarHBondContact O-N 3.48Å
27	R	56.8	Low	50.6	Low	146 Å²	146	102.1 Å²	102.1	55%	0.551	51%	0.506	S	S	*	.	H	α-helix	trans	-61.9	-38.5	176.1	-163.5	-175.9	83.9	122.4	0.3	112.3	K23 E24 Q31	K23-R27 VanDerWaalsContact O-CB 3.32Å; K23-R27 WeakPolarHBondContact O-CB 3.42Å; K23-R27 PolarHBondContact O-N 2.87Å; E24-R27 PolarHBondContact O-N 3.38Å; R27-Q31 WeakPolarHBondContact O-CB 3.47Å; R27-Q31 WeakPolarHBondContact O-CG 3.46Å; R27-Q31 PolarHBondContact O-N 2.8Å
28	M	46.3	Very low	49.6	Very low	110 Å²	110	98.7 Å²	98.7	54%	0.542	50%	0.5	S	S	.	.	H	α-helix	trans	-70.4	-36.6	175.1	-76.3	-177.1	65.6	0	0	111.8	E24 A25 D26 Q31 K32	E24-M28 VanDerWaalsContact O-CB 3.3Å; E24-M28 WeakPolarHBondContact O-CB 3.46Å; E24-M28 VanDerWaalsContact O-CG 3.24Å; E24-M28 WeakPolarHBondContact O-CG 3.29Å; E24-M28 PolarHBondContact O-N 3.23Å; A25-M28 PolarHBondContact O-N 2.93Å; D26-M28 VanDerWaalsContact C-N 3.31Å; D26-M28 PolarHBondContact O-N 3.48Å; M28-Q31 PolarHBondContact O-N 3.44Å; M28-K32 WeakPolarHBondContact O-CB 3.09Å; M28-K32 WeakPolarHBondContact O-CG 3.48Å; M28-K32 PolarHBondContact O-N 3.39Å
29	S	43.7	Very low	48.8	Very low	64 Å²	64	96 Å²	96	45%	0.448	50%	0.496	S	S	.	.	H	α-helix	trans	-62.6	-49.2	172.8	-175.2	0	0	0	0	110.4	A25 D26 Q31 K32 V33	A25-S29 VanDerWaalsContact O-CB 3.29Å; A25-S29 WeakPolarHBondContact O-CB 3.36Å; A25-S29 PolarHBondContact O-N 3.41Å; D26-S29 CarbonylContact O-C 3.55Å; D26-S29 WeakPolarHBondContact O-CB 3.31Å; D26-S29 PolarHBondContact O-N 3.02Å; D26-S29 VanDerWaalsContact O-N 3.14Å; S29-Q31 PolarHBondContact O-N 3.23Å; S29-K32 CarbonylContact O-C 3.6Å; S29-K32 WeakPolarHBondContact O-CB 3.18Å; S29-K32 PolarHBondContact O-N 2.89Å; S29-K32 VanDerWaalsContact O-N 3.1Å; S29-V33 WeakPolarHBondContact O-CG2 3.39Å; S29-V33 PolarHBondContact O-N 3.14Å
30	E	47	Very low	48.1	Very low	120 Å²	120	98.2 Å²	98.2	56%	0.561	50%	0.5	S	S	*	.	H	α-helix	trans	-61.1	-41.3	174.7	-73.7	179.4	178	0	0	112.3	D26 K32 K34	D26-E30 WeakPolarHBondContact O-CG 3.33Å; D26-E30 PolarHBondContact O-N 3.48Å; E30-K32 VanDerWaalsContact C-N 3.33Å; E30-K34 WeakPolarHBondContact O-CB 3.4Å; E30-K34 VanDerWaalsContact O-CG 3.3Å; E30-K34 WeakPolarHBondContact O-CG 3.29Å; E30-K34 PolarHBondContact O-N 2.99Å
31	Q	44.3	Very low	47.3	Very low	96 Å²	96	100.8 Å²	100.8	45%	0.449	50%	0.502	S	S	.	.	H	α-helix	trans	-65.3	-35.7	173.5	-82.7	-174.5	-28.5	0	0	112.3	R27 M28 S29 K34 T35	R27-Q31 WeakPolarHBondContact O-CB 3.47Å; R27-Q31 WeakPolarHBondContact O-CG 3.46Å; R27-Q31 PolarHBondContact O-N 2.8Å; M28-Q31 PolarHBondContact O-N 3.44Å; S29-Q31 PolarHBondContact O-N 3.23Å; Q31-K34 PolarHBondContact O-N 3.02Å; Q31-T35 WeakPolarHBondContact O-CB 3.28Å; Q31-T35 PolarHBondContact O-N 3.06Å; Q31-T35 PolarHBondContact O-OG1 2.97Å
32	K	41.6	Very low	46.5	Very low	97 Å²	97	101.1 Å²	101.1	42%	0.422	50%	0.502	S	S	.	.	H	α-helix	trans	-69.7	-45.8	175.6	-84.8	-175.4	174.7	-170.9	0	111.7	M28 S29 E30 K34 T35 V36 N531	M28-K32 WeakPolarHBondContact O-CB 3.09Å; M28-K32 WeakPolarHBondContact O-CG 3.48Å; M28-K32 PolarHBondContact O-N 3.39Å; S29-K32 CarbonylContact O-C 3.6Å; S29-K32 WeakPolarHBondContact O-CB 3.18Å; S29-K32 PolarHBondContact O-N 2.89Å; S29-K32 VanDerWaalsContact O-N 3.1Å; E30-K32 VanDerWaalsContact C-N 3.33Å; K32-K34 VanDerWaalsContact C-N 3.28Å; K32-K34 PolarHBondContact O-N 3.43Å; K32-T35 PolarHBondContact O-N 2.95Å; K32-V36 WeakPolarHBondContact O-CG2 3.14Å; K32-V36 PolarHBondContact O-N 3.11Å; K32-N531 PolarHBondContact NZ-OD1 3.32Å
33	V	43.3	Very low	45.8	Very low	68 Å²	68	100.3 Å²	100.3	41%	0.412	50%	0.498	S	S	.	.	H	α-helix	trans	-55.4	-48.8	171.6	171.6	0	0	0	0	108.6	S29 T35 V36 E37	S29-V33 WeakPolarHBondContact O-CG2 3.39Å; S29-V33 PolarHBondContact O-N 3.14Å; V33-T35 VanDerWaalsContact C-N 3.32Å; V33-T35 PolarHBondContact O-N 2.67Å; V33-V36 PolarHBondContact O-N 2.88Å; V33-E37 VanDerWaalsContact CG1-CD 3.49Å; V33-E37 HydrophobicContact CG1-CG 4.09Å; V33-E37 WeakPolarHBondContact CG1-OE1 3.4Å; V33-E37 WeakPolarHBondContact O-CB 3.27Å; V33-E37 WeakPolarHBondContact O-CG 3.4Å; V33-E37 PolarHBondContact O-N 2.86Å
34	K	42.6	Very low	45	Very low	124 Å²	124	100.2 Å²	100.2	54%	0.539	49%	0.494	S	S	.	.	H	α-helix	trans	-60.2	-35	173.6	-76.5	177.3	179.9	177.9	0	114.1	E30 Q31 K32 N38	E30-K34 WeakPolarHBondContact O-CB 3.4Å; E30-K34 VanDerWaalsContact O-CG 3.3Å; E30-K34 WeakPolarHBondContact O-CG 3.29Å; E30-K34 PolarHBondContact O-N 2.99Å; Q31-K34 PolarHBondContact O-N 3.02Å; K32-K34 VanDerWaalsContact C-N 3.28Å; K32-K34 PolarHBondContact O-N 3.43Å; K34-N38 WeakPolarHBondContact O-CA 3.06Å; K34-N38 WeakPolarHBondContact O-CB 3.24Å; K34-N38 PolarHBondContact O-N 2.95Å; K34-N38 PolarHBondContact O-ND2 3.36Å; K34-N38 VanDerWaalsContact O-ND2 3.14Å; K34-N38 PolarHBondContact O-OD1 2.89Å
35	T	38.5	Very low	44.4	Very low	77 Å²	77	97.7 Å²	97.7	47%	0.472	49%	0.486	S	S	.	.	H	α-helix	trans	-76.2	-40.2	-179.2	-53.3	0	0	0	0	111.6	Q31 K32 V33 N38 L39	Q31-T35 WeakPolarHBondContact O-CB 3.28Å; Q31-T35 PolarHBondContact O-N 3.06Å; Q31-T35 PolarHBondContact O-OG1 2.97Å; K32-T35 PolarHBondContact O-N 2.95Å; V33-T35 VanDerWaalsContact C-N 3.32Å; V33-T35 PolarHBondContact O-N 2.67Å; T35-N38 PolarHBondContact O-N 2.58Å; T35-L39 HydrophobicContact CG2-CD1 4.5Å; T35-L39 WeakPolarHBondContact O-CG 3.42Å; T35-L39 PolarHBondContact O-N 3.47Å
36	V	37.8	Very low	44.3	Very low	78 Å²	78	95.7 Å²	95.7	47%	0.473	47%	0.47	S	S	.	.	H	α-helix	trans	-67.9	-47.2	173.2	174.1	0	0	0	0	109.6	K32 V33 N38 L39 E40	K32-V36 WeakPolarHBondContact O-CG2 3.14Å; K32-V36 PolarHBondContact O-N 3.11Å; V33-V36 PolarHBondContact O-N 2.88Å; V36-N38 PolarHBondContact O-N 3.25Å; V36-L39 PolarHBondContact O-N 2.77Å; V36-L39 VanDerWaalsContact O-N 3.11Å; V36-E40 HydrophobicContact CG1-CG 4.29Å; V36-E40 WeakPolarHBondContact O-CB 3.46Å; V36-E40 WeakPolarHBondContact O-CG 3.48Å; V36-E40 PolarHBondContact O-N 3.33Å
37	E	43.2	Very low	44	Very low	97 Å²	97	95.8 Å²	95.8	45%	0.453	47%	0.471	S	S	.	.	H	α-helix	trans	-57.2	-38.6	171.5	-75	174.5	164.7	0	0	111	V33 R41	V33-E37 VanDerWaalsContact CG1-CD 3.49Å; V33-E37 HydrophobicContact CG1-CG 4.09Å; V33-E37 WeakPolarHBondContact CG1-OE1 3.4Å; V33-E37 WeakPolarHBondContact O-CB 3.27Å; V33-E37 WeakPolarHBondContact O-CG 3.4Å; V33-E37 PolarHBondContact O-N 2.86Å; E37-R41 WeakPolarHBondContact O-CA 3.45Å; E37-R41 WeakPolarHBondContact O-CB 3.47Å; E37-R41 PolarHBondContact O-N 3.04Å
38	N	40.1	Very low	43.9	Very low	86 Å²	86	93.8 Å²	93.8	46%	0.46	47%	0.467	S	S	.	.	H	α-helix	trans	-68.4	-41.4	175.3	-78	-18.4	0	0	0	111.8	K34 T35 V36 R41 T42	K34-N38 WeakPolarHBondContact O-CA 3.06Å; K34-N38 WeakPolarHBondContact O-CB 3.24Å; K34-N38 PolarHBondContact O-N 2.95Å; K34-N38 PolarHBondContact O-ND2 3.36Å; K34-N38 VanDerWaalsContact O-ND2 3.14Å; K34-N38 PolarHBondContact O-OD1 2.89Å; T35-N38 PolarHBondContact O-N 2.58Å; V36-N38 PolarHBondContact O-N 3.25Å; N38-R41 CarbonylContact O-C 3.5Å; N38-R41 PolarHBondContact O-N 2.9Å; N38-T42 WeakPolarHBondContact O-CB 3.3Å; N38-T42 PolarHBondContact O-N 3.14Å; N38-T42 PolarHBondContact O-OG1 2.78Å
39	L	38.9	Very low	44.2	Very low	105 Å²	105	90.5 Å²	90.5	55%	0.55	45%	0.451	S	S	.	.	H	α-helix	trans	-66.4	-49.8	176.2	-78.8	164.8	0	0	0	111	T35 V36 R41 T42 D43	T35-L39 HydrophobicContact CG2-CD1 4.5Å; T35-L39 WeakPolarHBondContact O-CG 3.42Å; T35-L39 PolarHBondContact O-N 3.47Å; V36-L39 PolarHBondContact O-N 2.77Å; V36-L39 VanDerWaalsContact O-N 3.11Å; L39-R41 PolarHBondContact O-N 3.31Å; L39-T42 CarbonylContact O-C 3.6Å; L39-T42 WeakPolarHBondContact O-CA 3.32Å; L39-T42 WeakPolarHBondContact O-CB 3.06Å; L39-T42 PolarHBondContact O-N 2.76Å; L39-D43 PolarHBondContact O-N 3.12Å
40	E	41.3	Very low	44.8	Very low	99 Å²	99	88.4 Å²	88.4	46%	0.463	43%	0.434	S	S	.	.	H	α-helix	trans	-60.9	-32.1	172.4	-70.7	-178.4	173.2	0	0	111.9	V36 R44	V36-E40 HydrophobicContact CG1-CG 4.29Å; V36-E40 WeakPolarHBondContact O-CB 3.46Å; V36-E40 WeakPolarHBondContact O-CG 3.48Å; V36-E40 PolarHBondContact O-N 3.33Å; E40-R44 WeakPolarHBondContact O-CB 3.37Å; E40-R44 WeakPolarHBondContact O-CG 3.33Å; E40-R44 PolarHBondContact O-N 3.34Å; E40-R44 PolarHBondContact O-NE 2.71Å; E40-R44 IonicContact OE2-NH2 2.63Å
41	R	43	Very low	45.3	Very low	163 Å²	163	84.9 Å²	84.9	62%	0.615	42%	0.419	S	S	*	.	H	α-helix	trans	-72.5	-34.5	171.8	-176.2	178.5	-175.1	-175.2	1.7	110.8	E37 N38 L39 V45	E37-R41 WeakPolarHBondContact O-CA 3.45Å; E37-R41 WeakPolarHBondContact O-CB 3.47Å; E37-R41 PolarHBondContact O-N 3.04Å; N38-R41 CarbonylContact O-C 3.5Å; N38-R41 PolarHBondContact O-N 2.9Å; L39-R41 PolarHBondContact O-N 3.31Å; R41-V45 HydrophobicContact CG-CG2 4.23Å; R41-V45 WeakPolarHBondContact O-CA 2.93Å; R41-V45 WeakPolarHBondContact O-CB 3.41Å; R41-V45 WeakPolarHBondContact O-CG2 3.38Å; R41-V45 PolarHBondContact O-N 2.94Å
42	T	42.7	Very low	46	Very low	64 Å²	64	84.3 Å²	84.3	39%	0.393	42%	0.419	S	S	.	.	H	α-helix	trans	-69.7	-43.7	177.1	-45.3	0	0	0	0	109.9	N38 L39 V45 A46	N38-T42 WeakPolarHBondContact O-CB 3.3Å; N38-T42 PolarHBondContact O-N 3.14Å; N38-T42 PolarHBondContact O-OG1 2.78Å; L39-T42 CarbonylContact O-C 3.6Å; L39-T42 WeakPolarHBondContact O-CA 3.32Å; L39-T42 WeakPolarHBondContact O-CB 3.06Å; L39-T42 PolarHBondContact O-N 2.76Å; T42-V45 PolarHBondContact O-N 2.74Å; T42-A46 WeakPolarHBondContact O-CB 3.42Å; T42-A46 PolarHBondContact O-N 2.8Å
43	D	42	Very low	46.9	Very low	91 Å²	91	82.2 Å²	82.2	49%	0.487	41%	0.41	S	S	.	.	H	α-helix	trans	-66.4	-46.4	175	-69	-14.1	0	0	0	110.5	L39 V45 A46 D47	L39-D43 PolarHBondContact O-N 3.12Å; D43-V45 VanDerWaalsContact C-N 3.29Å; D43-V45 PolarHBondContact O-N 3.32Å; D43-A46 CarbonylContact O-C 3.59Å; D43-A46 PolarHBondContact O-N 3.49Å; D43-A46 VanDerWaalsContact O-N 3.12Å; D43-D47 WeakPolarHBondContact O-CB 3.45Å; D43-D47 PolarHBondContact O-N 3.41Å
44	R	47.1	Very low	47.6	Very low	148 Å²	148	79 Å²	79	56%	0.558	39%	0.391	S	S	*	.	H	α-helix	trans	-61.2	-36.1	172.9	-78.1	-180	-69.5	-154.4	-3.8	112.8	E40 Q48	E40-R44 WeakPolarHBondContact O-CB 3.37Å; E40-R44 WeakPolarHBondContact O-CG 3.33Å; E40-R44 PolarHBondContact O-N 3.34Å; E40-R44 PolarHBondContact O-NE 2.71Å; E40-R44 IonicContact OE2-NH2 2.63Å; R44-Q48 WeakPolarHBondContact O-CB 3.34Å; R44-Q48 PolarHBondContact O-N 3.39Å
45	V	46.9	Very low	48.7	Very low	66 Å²	66	76.7 Å²	76.7	40%	0.4	39%	0.387	S	S	.	.	H	α-helix	trans	-68.5	-42.5	174.5	165.4	0	0	0	0	109.5	R41 T42 D43 Q48 M49	R41-V45 HydrophobicContact CG-CG2 4.23Å; R41-V45 WeakPolarHBondContact O-CA 2.93Å; R41-V45 WeakPolarHBondContact O-CB 3.41Å; R41-V45 WeakPolarHBondContact O-CG2 3.38Å; R41-V45 PolarHBondContact O-N 2.94Å; T42-V45 PolarHBondContact O-N 2.74Å; D43-V45 VanDerWaalsContact C-N 3.29Å; D43-V45 PolarHBondContact O-N 3.32Å; V45-Q48 PolarHBondContact O-N 3.34Å; V45-M49 HydrophobicContact CG1-CG 4.16Å; V45-M49 HydrophobicContact CG1-SD 3.92Å; V45-M49 WeakPolarHBondContact O-CB 3.14Å; V45-M49 WeakPolarHBondContact O-CG 3.5Å; V45-M49 PolarHBondContact O-N 3.37Å
46	A	46.6	Very low	49.8	Very low	12 Å²	12	75.5 Å²	75.5	10%	0.099	38%	0.381	C	S	.	.	H	α-helix	trans	-64	-42.8	176.6	0	0	0	0	0	112	T42 D43 M49 F50 M149	T42-A46 WeakPolarHBondContact O-CB 3.42Å; T42-A46 PolarHBondContact O-N 2.8Å; D43-A46 CarbonylContact O-C 3.59Å; D43-A46 PolarHBondContact O-N 3.49Å; D43-A46 VanDerWaalsContact O-N 3.12Å; A46-M49 PolarHBondContact O-N 3.12Å; A46-F50 WeakPolarHBondContact O-CB 2.92Å; A46-F50 PolarHBondContact O-N 2.84Å; A46-M149 HydrophobicContact CB-CE 4.46Å
47	D	49.9	Very low	50.8	Low	101 Å²	101	72.4 Å²	72.4	54%	0.54	36%	0.362	S	S	.	.	H	α-helix	trans	-66.8	-42.8	175	-72.8	-15.5	0	0	0	111.4	D43 M49 F50 N51	D43-D47 WeakPolarHBondContact O-CB 3.45Å; D43-D47 PolarHBondContact O-N 3.41Å; D47-M49 VanDerWaalsContact C-N 3.33Å; D47-F50 PolarHBondContact O-N 3.29Å; D47-N51 WeakPolarHBondContact O-CB 3.01Å; D47-N51 PolarHBondContact O-N 3.08Å; D47-N51 PolarHBondContact O-ND2 2.85Å; D47-N51 VanDerWaalsContact O-ND2 3.08Å
48	Q	54.8	Low	51.8	Low	103 Å²	103	70 Å²	70	48%	0.481	36%	0.364	S	S	.	.	H	α-helix	trans	-64.4	-41.5	175.5	-173.5	63.5	38.1	0	0	110.4	R44 V45 N51 D52	R44-Q48 WeakPolarHBondContact O-CB 3.34Å; R44-Q48 PolarHBondContact O-N 3.39Å; V45-Q48 PolarHBondContact O-N 3.34Å; Q48-N51 PolarHBondContact O-N 3.27Å; Q48-D52 PolarHBondContact NE2-OD1 2.81Å; Q48-D52 PolarHBondContact NE2-OD2 2.76Å; Q48-D52 VanDerWaalsContact O-CB 3.27Å; Q48-D52 WeakPolarHBondContact O-CB 3.41Å; Q48-D52 PolarHBondContact O-N 2.78Å
49	M	53.1	Low	52.9	Low	42 Å²	42	66.3 Å²	66.3	21%	0.207	34%	0.344	C	S	.	.	H	α-helix	trans	-64.8	-41.5	175	-77.3	-175.8	68.1	0	0	112.2	V45 A46 D47 N51 D52 F53 P142 I143 F146	V45-M49 HydrophobicContact CG1-CG 4.16Å; V45-M49 HydrophobicContact CG1-SD 3.92Å; V45-M49 WeakPolarHBondContact O-CB 3.14Å; V45-M49 WeakPolarHBondContact O-CG 3.5Å; V45-M49 PolarHBondContact O-N 3.37Å; A46-M49 PolarHBondContact O-N 3.12Å; D47-M49 VanDerWaalsContact C-N 3.33Å; M49-N51 VanDerWaalsContact C-N 3.34Å; M49-D52 PolarHBondContact O-N 2.02Å; M49-F53 WeakPolarHBondContact O-CB 3.37Å; M49-F53 PolarHBondContact O-N 2.74Å; M49-P142 VanDerWaalsContact CE-C 3.43Å; M49-P142 HydrophobicContact CE-CB 3.56Å; M49-P142 WeakPolarHBondContact CE-O 3.39Å; M49-P142 HydrophobicContact SD-CB 3.39Å; M49-P142 WeakPolarHBondContact SD-CB 3.41Å; M49-I143 HydrophobicContact CE-CG1 4.1Å; M49-F146 HydrophobicContact CE-CB 4.09Å
50	F	55.4	Low	54	Low	20 Å²	20	63.9 Å²	63.9	9%	0.088	34%	0.336	C	S	.	.	H	α-helix	trans	-58.3	-49.7	171.9	179.9	-93.2	0	0	0	110	A46 D47 F53 C54 F82 E83 C86 F146 I155 L157	A46-F50 WeakPolarHBondContact O-CB 2.92Å; A46-F50 PolarHBondContact O-N 2.84Å; D47-F50 PolarHBondContact O-N 3.29Å; F50-F53 PolarHBondContact O-N 2.82Å; F50-C54 WeakPolarHBondContact CE1-SG 2.97Å; F50-C54 WeakPolarHBondContact CZ-SG 3.36Å; F50-C54 WeakPolarHBondContact O-CB 3.38Å; F50-C54 PolarHBondContact O-N 3.41Å; F50-C54 PolarHBondContact O-SG 2.97Å; F50-F82 HydrophobicContact CD1-CE1 4.41Å; F50-F82 HydrophobicContact CE1-CD1 4.27Å; F50-F82 HydrophobicContact CE1-CE1 4.1Å; F50-E83 HydrophobicContact CE1-CG 3.95Å; F50-E83 HydrophobicContact CZ-CB 4.39Å; F50-E83 HydrophobicContact CZ-CG 4.23Å; F50-C86 HydrophobicContact CZ-CB 4.28Å; F50-F146 HydrophobicContact CB-CE2 3.75Å; F50-F146 HydrophobicContact CB-CZ 3.89Å; F50-F146 HydrophobicContact CD2-CE2 4.14Å; F50-F146 AromaticContact CD2-CZ 3.68Å; F50-F146 HydrophobicContact CD2-CZ 3.68Å; F50-F146 HydrophobicContact CG-CE2 4.46Å; F50-F146 HydrophobicContact CG-CZ 4.26Å; F50-I155 HydrophobicContact CD2-CG2 4.45Å; F50-L157 HydrophobicContact CD2-CD2 4.14Å; F50-L157 HydrophobicContact CE2-CD2 3.47Å; F50-L157 VanDerWaalsContact CE2-CD2 3.47Å; F50-L157 HydrophobicContact CZ-CD2 4.46Å
51	N	58.2	Low	54.6	Low	45 Å²	45	62.8 Å²	62.8	24%	0.241	33%	0.333	C	S	.	.	H	α-helix	trans	-62.8	-45.6	179.7	-72	-32.4	0	0	0	112.2	D47 Q48 M49 F53 C54 V55 F82	D47-N51 WeakPolarHBondContact O-CB 3.01Å; D47-N51 PolarHBondContact O-N 3.08Å; D47-N51 PolarHBondContact O-ND2 2.85Å; D47-N51 VanDerWaalsContact O-ND2 3.08Å; Q48-N51 PolarHBondContact O-N 3.27Å; M49-N51 VanDerWaalsContact C-N 3.34Å; N51-F53 VanDerWaalsContact C-N 3.35Å; N51-C54 PolarHBondContact O-N 2.57Å; N51-V55 WeakPolarHBondContact O-CB 3.47Å; N51-V55 VanDerWaalsContact O-CG2 3.23Å; N51-V55 WeakPolarHBondContact O-CG2 3.16Å; N51-V55 PolarHBondContact O-N 3.13Å; N51-F82 WeakPolarHBondContact OD1-CE1 3.39Å
52	D	59.7	Low	54.9	Low	84 Å²	84	56.9 Å²	56.9	45%	0.449	32%	0.315	S	S	.	.	H	α-helix	trans	-64.2	-42	179.3	-70.2	-15.5	0	0	0	110.5	Q48 M49 V55 S56	Q48-D52 PolarHBondContact NE2-OD1 2.81Å; Q48-D52 PolarHBondContact NE2-OD2 2.76Å; Q48-D52 VanDerWaalsContact O-CB 3.27Å; Q48-D52 WeakPolarHBondContact O-CB 3.41Å; Q48-D52 PolarHBondContact O-N 2.78Å; M49-D52 PolarHBondContact O-N 2.02Å; D52-V55 PolarHBondContact O-N 3.01Å; D52-S56 WeakPolarHBondContact O-CB 3.34Å; D52-S56 PolarHBondContact O-N 2.63Å
53	F	59.9	Low	55	Low	54 Å²	54	63.5 Å²	63.5	24%	0.237	33%	0.333	C	S	.	.	H	α-helix	trans	-62.3	-46.1	172.8	172	-103.4	0	0	0	112	M49 F50 N51 V55 S56 I57 V90	M49-F53 WeakPolarHBondContact O-CB 3.37Å; M49-F53 PolarHBondContact O-N 2.74Å; F50-F53 PolarHBondContact O-N 2.82Å; N51-F53 VanDerWaalsContact C-N 3.35Å; F53-V55 VanDerWaalsContact C-N 3.31Å; F53-V55 PolarHBondContact O-N 3.49Å; F53-S56 PolarHBondContact O-N 2.91Å; F53-S56 PolarHBondContact O-OG 2.71Å; F53-I57 HydrophobicContact CE1-CD1 4.23Å; F53-I57 HydrophobicContact CE2-CG2 4.13Å; F53-I57 HydrophobicContact CZ-CG2 4.21Å; F53-I57 WeakPolarHBondContact O-CG1 3.38Å; F53-I57 PolarHBondContact O-N 2.64Å; F53-V90 HydrophobicContact CE1-CG2 3.59Å; F53-V90 HydrophobicContact CZ-CG2 3.91Å
54	C	58.4	Low	54.9	Low	0 Å²	0	66.3 Å²	66.3	0%	0	34%	0.343	C	S	.	.	H	α-helix	trans	-63.4	-39.5	177.4	-69	0	0	0	0	111.7	F50 N51 I57 G58 V59 F82 C86	F50-C54 WeakPolarHBondContact CE1-SG 2.97Å; F50-C54 WeakPolarHBondContact CZ-SG 3.36Å; F50-C54 WeakPolarHBondContact O-CB 3.38Å; F50-C54 PolarHBondContact O-N 3.41Å; F50-C54 PolarHBondContact O-SG 2.97Å; N51-C54 PolarHBondContact O-N 2.57Å; C54-I57 WeakPolarHBondContact O-CG1 3.47Å; C54-G58 PolarHBondContact O-N 3.41Å; C54-V59 HydrophobicContact CB-CB 4.38Å; C54-V59 WeakPolarHBondContact O-CA 3.4Å; C54-V59 WeakPolarHBondContact O-CB 3.3Å; C54-V59 WeakPolarHBondContact O-CG2 3.06Å; C54-V59 PolarHBondContact O-N 3.21Å; C54-F82 HydrophobicContact CB-CE1 3.62Å; C54-F82 HydrophobicContact CB-CE2 4.19Å; C54-F82 HydrophobicContact CB-CZ 3.31Å; C54-C86 WeakPolarHBondContact CA-SG 3.4Å; C54-C86 HydrophobicContact CB-CB 3.69Å; C54-C86 WeakPolarHBondContact CB-SG 3.17Å; C54-C86 WeakPolarHBondContact SG-CB 3.02Å; C54-C86 CovalentContact SG-SG 2.02Å; C54-C86 PolarHBondContact SG-SG 2.75Å
55	V	65.3	Low	54.2	Low	75 Å²	75	66.1 Å²	66.1	46%	0.455	34%	0.344	S	S	.	.	H	α-helix	trans	-66.7	-40.3	174.4	170.2	0	0	0	0	111.1	N51 D52 F53 I57 G58 F82	N51-V55 WeakPolarHBondContact O-CB 3.47Å; N51-V55 VanDerWaalsContact O-CG2 3.23Å; N51-V55 WeakPolarHBondContact O-CG2 3.16Å; N51-V55 PolarHBondContact O-N 3.13Å; D52-V55 PolarHBondContact O-N 3.01Å; F53-V55 VanDerWaalsContact C-N 3.31Å; F53-V55 PolarHBondContact O-N 3.49Å; V55-I57 VanDerWaalsContact C-N 3.31Å; V55-I57 PolarHBondContact O-N 3.43Å; V55-G58 WeakPolarHBondContact O-CA 3.45Å; V55-G58 PolarHBondContact O-N 3.32Å; V55-F82 HydrophobicContact CG2-CZ 4.42Å
56	S	60.6	Low	53.8	Low	52 Å²	52	70.9 Å²	70.9	36%	0.364	36%	0.362	S	S	.	.	H	α-helix	trans	-64.8	-34.5	179.3	77.6	0	0	0	0	112.1	D52 F53 G58	D52-S56 WeakPolarHBondContact O-CB 3.34Å; D52-S56 PolarHBondContact O-N 2.63Å; F53-S56 PolarHBondContact O-N 2.91Å; F53-S56 PolarHBondContact O-OG 2.71Å; S56-G58 PolarHBondContact O-N 2.84Å
57	I	59.9	Low	53.5	Low	13 Å²	13	79.5 Å²	79.5	7%	0.067	40%	0.397	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.3	7	172.2	68.9	176.2	0	0	0	113.9	F53 C54 V55 V59 R89 V90 K93	F53-I57 HydrophobicContact CE1-CD1 4.23Å; F53-I57 HydrophobicContact CE2-CG2 4.13Å; F53-I57 HydrophobicContact CZ-CG2 4.21Å; F53-I57 WeakPolarHBondContact O-CG1 3.38Å; F53-I57 PolarHBondContact O-N 2.64Å; C54-I57 WeakPolarHBondContact O-CG1 3.47Å; V55-I57 VanDerWaalsContact C-N 3.31Å; V55-I57 PolarHBondContact O-N 3.43Å; I57-V59 HydrophobicContact CD1-CG2 4.19Å; I57-V59 HydrophobicContact CG1-CG2 3.91Å; I57-R89 HydrophobicContact CB-CG 4.43Å; I57-R89 HydrophobicContact CD1-CB 3.98Å; I57-R89 HydrophobicContact CD1-CG 4.17Å; I57-R89 HydrophobicContact CG1-CB 4.47Å; I57-R89 HydrophobicContact CG1-CG 4.21Å; I57-R89 WeakPolarHBondContact O-CG 3.41Å; I57-R89 PolarHBondContact O-NE 3.16Å; I57-V90 HydrophobicContact CD1-CG2 3.46Å; I57-V90 VanDerWaalsContact CD1-CG2 3.46Å; I57-K93 HydrophobicContact CB-CD 4.48Å
58	G	65	Low	52.8	Low	47 Å²	47	82.3 Å²	82.3	49%	0.485	41%	0.407	S	S	.	.	T	Hydrogen-bonded Turn	trans	87.2	20.7	172.4	0	0	0	0	0	114.9	C54 V55 S56 S60	C54-G58 PolarHBondContact O-N 3.41Å; V55-G58 WeakPolarHBondContact O-CA 3.45Å; V55-G58 PolarHBondContact O-N 3.32Å; S56-G58 PolarHBondContact O-N 2.84Å; G58-S60 PolarHBondContact O-N 3.01Å
59	V	62.3	Low	51.7	Low	9 Å²	9	85 Å²	85	6%	0.055	42%	0.419	C	S	.	.			trans	-86.8	108.4	174	-174.1	0	0	0	0	107.5	C54 I57 F82 L85 C86 R89	C54-V59 HydrophobicContact CB-CB 4.38Å; C54-V59 WeakPolarHBondContact O-CA 3.4Å; C54-V59 WeakPolarHBondContact O-CB 3.3Å; C54-V59 WeakPolarHBondContact O-CG2 3.06Å; C54-V59 PolarHBondContact O-N 3.21Å; I57-V59 HydrophobicContact CD1-CG2 4.19Å; I57-V59 HydrophobicContact CG1-CG2 3.91Å; V59-F82 HydrophobicContact CB-CE2 4.16Å; V59-F82 HydrophobicContact CG1-CD2 3.73Å; V59-F82 HydrophobicContact CG1-CE2 3.66Å; V59-L85 HydrophobicContact CG1-CB 3.81Å; V59-C86 HydrophobicContact CG1-CB 4.41Å; V59-C86 HydrophobicContact CG2-CB 4.12Å; V59-R89 HydrophobicContact CG2-CB 3.88Å; V59-R89 HydrophobicContact CG2-CG 4.17Å
60	S	62.8	Low	51	Low	53 Å²	53	88.7 Å²	88.7	37%	0.371	45%	0.446	S	S	.	.			trans	-70.5	134.3	177.1	49.1	0	0	0	0	110.4	G58 V62	G58-S60 PolarHBondContact O-N 3.01Å; S60-V62 PolarHBondContact O-N 3.31Å; S60-V62 VanDerWaalsContact O-N 3.12Å
61	N	53.9	Low	50	Low	76 Å²	76	93 Å²	93	41%	0.406	49%	0.486	S	S	.	.			trans	-59.2	118.4	179.6	-161.8	-30.7	0	0	0	109.3	R63 Q64 F82	N61-R63 PolarHBondContact O-N 3.42Å; N61-Q64 PolarHBondContact O-N 3.04Å; N61-F82 HydrophobicContact CB-CE2 4.37Å
62	V	49.2	Very low	48.8	Very low	40 Å²	40	95.5 Å²	95.5	24%	0.242	51%	0.512	C	S	.	.	G	3₁₀ helix	trans	-56.6	-17.8	-168	174.7	0	0	0	0	113	S60 Q64 Y65 F82 L85	S60-V62 PolarHBondContact O-N 3.31Å; S60-V62 VanDerWaalsContact O-N 3.12Å; V62-Q64 PolarHBondContact O-N 3.48Å; V62-Y65 PolarHBondContact O-N 2.83Å; V62-F82 HydrophobicContact CB-CB 4.44Å; V62-F82 HydrophobicContact CG2-CB 3.79Å; V62-F82 HydrophobicContact CG2-CD2 4.34Å; V62-L85 HydrophobicContact CG2-CD1 4.08Å
63	R	44.2	Very low	47.6	Very low	203 Å²	203	100.2 Å²	100.2	77%	0.766	53%	0.532	S	S	*	.	G	3₁₀ helix	trans	-53.2	-20.9	171	-78.4	-172.5	175.2	-178.6	1.9	114.8	N61	N61-R63 PolarHBondContact O-N 3.42Å
64	Q	39.1	Very low	46.2	Very low	150 Å²	150	105.4 Å²	105.4	70%	0.701	56%	0.562	S	S	*	*	G	3₁₀ helix	trans	-73.5	-28.3	171.9	-87.3	-172.4	-24.8	0	0	113.9	N61 V62	N61-Q64 PolarHBondContact O-N 3.04Å; V62-Q64 PolarHBondContact O-N 3.48Å
65	Y	33.8	Very low	44.8	Very low	144 Å²	144	116.7 Å²	116.7	57%	0.565	61%	0.606	S	S	*	*	G	3₁₀ helix	trans	-76.9	-27.4	-178.6	-77.6	-79.2	0	0	0	113.5	V62 K67 Q68	V62-Y65 PolarHBondContact O-N 2.83Å; Y65-K67 PolarHBondContact O-N 2.88Å; Y65-Q68 PolarHBondContact O-N 3.34Å
66	E	37.5	Very low	43.2	Very low	166 Å²	166	121 Å²	121	78%	0.776	62%	0.622	S	S	*	*	G	3₁₀ helix	trans	-67.6	-19.6	179.2	-70.5	-172.4	151.1	0	0	113.7	Q68	E66-Q68 VanDerWaalsContact C-N 3.33Å
67	K	40.9	Very low	42	Very low	193 Å²	193	129 Å²	129	84%	0.839	65%	0.645	S	S	*	*	G	3₁₀ helix	trans	-81.9	-8.9	178.9	-79.9	-173	177.4	179.2	0	114.3	Y65	Y65-K67 PolarHBondContact O-N 2.88Å
68	Q	35.7	Very low	41.4	Very low	160 Å²	160	132.1 Å²	132.1	75%	0.748	68%	0.68	S	S	*	*	S	Bend	trans	-135.5	76.2	-174.6	-65.8	-174.7	-2.3	0	0	110.6	Y65 E66	Y65-Q68 PolarHBondContact O-N 3.34Å; E66-Q68 VanDerWaalsContact C-N 3.33Å
69	E	31.2	Very low	40.5	Very low	159 Å²	159	137.4 Å²	137.4	74%	0.743	69%	0.69	S	S	*	*			trans	-178.7	140.1	137.4	-103.6	168.7	173.6	0	0	112.5	K79	E69-K79 IonicContact OE2-NZ 2.72Å
70	P	38.5	Very low	40	Very low	119 Å²	119	139.9 Å²	139.9	77%	0.773	71%	0.707	S	S	*	*			trans	-81.6	152.3	176.8	4.7	14.2	0	0	0	112.1	A72	P70-A72 PolarHBondContact O-N 2.97Å
71	A	34.6	Very low	39.8	Very low	111 Å²	111	140.1 Å²	140.1	92%	0.917	71%	0.706	S	S	*	*			trans	-42.7	112.2	-179.1	0	0	0	0	0	114.3
72	A	33.1	Very low	40	Very low	97 Å²	97	137 Å²	137	80%	0.802	69%	0.689	S	S	*	*			trans	-122	111.4	166	0	0	0	0	0	109.3	P70 N74	P70-A72 PolarHBondContact O-N 2.97Å; A72-N74 PolarHBondContact O-N 3.44Å
73	E	33.4	Very low	40.5	Very low	183 Å²	183	139.5 Å²	139.5	86%	0.855	70%	0.697	S	S	*	*			trans	-65.9	102.8	171.2	-67.1	174.3	150.5	0	0	109.5
74	N	31.3	Very low	41.1	Very low	163 Å²	163	132.1 Å²	132.1	87%	0.872	67%	0.672	S	S	*	*			trans	-172.1	91.2	148.9	-94.8	-31.2	0	0	0	108.8	A72 Q76	A72-N74 PolarHBondContact O-N 3.44Å; N74-Q76 PolarHBondContact O-N 3.42Å
75	Y	28.8	Very low	42.2	Very low	238 Å²	238	127.5 Å²	127.5	93%	0.933	65%	0.651	S	S	*	*			trans	-68.4	108.2	176.7	-90.9	-99.6	0	0	0	110.8
76	Q	32	Very low	43.6	Very low	166 Å²	166	120.7 Å²	120.7	78%	0.776	63%	0.625	S	S	*	*	S	Bend	trans	-151.4	119.1	152.7	-112.8	177.3	-5.6	0	0	108.8	N74	N74-Q76 PolarHBondContact O-N 3.42Å
77	Y	34.5	Very low	44.6	Very low	219 Å²	219	113 Å²	113	86%	0.859	59%	0.59	S	S	*	*	S	Bend	trans	67.4	109.9	-177.4	-56.9	-84.2	0	0	0	114.8
78	G	47.3	Very low	45.5	Very low	78 Å²	78	108 Å²	108	80%	0.804	57%	0.569	S	S	*	*	P	Polyproline II helix	trans	-59.8	138.8	174.7	0	0	0	0	0	110.8
79	K	46.8	Very low	46.8	Very low	158 Å²	158	106.2 Å²	106.2	69%	0.687	56%	0.556	S	S	*	*	P	Polyproline II helix	trans	-55.8	136.7	172.1	-72.3	-177.5	177.3	179.4	0	108.8	E69	E69-K79 IonicContact OE2-NZ 2.72Å
80	P	52.2	Low	48.1	Very low	62 Å²	62	99.9 Å²	99.9	40%	0.403	53%	0.528	S	S	.	.	P	Polyproline II helix	trans	-61.3	142.7	179.2	23.3	-31.5	0	0	0	111.2	E84 L85	P80-E84 VanDerWaalsContact CA-OE2 3.27Å; P80-E84 WeakPolarHBondContact CA-OE2 3.22Å; P80-E84 HydrophobicContact CB-CB 3.95Å; P80-L85 HydrophobicContact CB-CD2 4.34Å; P80-L85 HydrophobicContact CB-CG 4.2Å; P80-L85 HydrophobicContact CG-CD2 3.83Å; P80-L85 HydrophobicContact CG-CG 4.09Å
81	T	57.7	Low	48.9	Very low	57 Å²	57	96 Å²	96	35%	0.35	50%	0.504	S	S	.	.	P	Polyproline II helix	trans	-67.8	165.8	174.8	55.8	0	0	0	0	111.4	E83 E84 L85	T81-E83 WeakPolarHBondContact CB-OE2 3.17Å; T81-E83 PolarHBondContact O-N 3.34Å; T81-E84 PolarHBondContact N-OE2 3.03Å; T81-E84 PolarHBondContact O-N 3.08Å; T81-E84 WeakPolarHBondContact OG1-CB 3.39Å; T81-E84 VanDerWaalsContact OG1-CG 3.23Å; T81-E84 WeakPolarHBondContact OG1-CG 3.48Å; T81-E84 PolarHBondContact OG1-N 3.46Å; T81-E84 PolarHBondContact OG1-OE2 3.4Å; T81-L85 WeakPolarHBondContact O-CG 3.23Å; T81-L85 PolarHBondContact O-N 3.19Å
82	F	58.4	Low	50.1	Low	12 Å²	12	97.8 Å²	97.8	5%	0.053	49%	0.491	C	S	.	.	H	α-helix	trans	-59.1	-40	177.9	174.6	-103.6	0	0	0	111.2	F50 N51 C54 V55 V59 N61 V62 L85 C86	F50-F82 HydrophobicContact CD1-CE1 4.41Å; F50-F82 HydrophobicContact CE1-CD1 4.27Å; F50-F82 HydrophobicContact CE1-CE1 4.1Å; N51-F82 WeakPolarHBondContact OD1-CE1 3.39Å; C54-F82 HydrophobicContact CB-CE1 3.62Å; C54-F82 HydrophobicContact CB-CE2 4.19Å; C54-F82 HydrophobicContact CB-CZ 3.31Å; V55-F82 HydrophobicContact CG2-CZ 4.42Å; V59-F82 HydrophobicContact CB-CE2 4.16Å; V59-F82 HydrophobicContact CG1-CD2 3.73Å; V59-F82 HydrophobicContact CG1-CE2 3.66Å; N61-F82 HydrophobicContact CB-CE2 4.37Å; V62-F82 HydrophobicContact CB-CB 4.44Å; V62-F82 HydrophobicContact CG2-CB 3.79Å; V62-F82 HydrophobicContact CG2-CD2 4.34Å; F82-L85 PolarHBondContact O-N 2.95Å; F82-C86 VanDerWaalsContact O-CB 3.29Å; F82-C86 WeakPolarHBondContact O-CB 3.34Å; F82-C86 PolarHBondContact O-N 2.9Å
83	E	58.7	Low	51.1	Low	91 Å²	91	96.8 Å²	96.8	43%	0.425	47%	0.468	S	S	.	.	H	α-helix	trans	-64	-46.1	176.8	-61.3	77.8	-175.6	0	0	111	F50 T81 L85 C86 A87	F50-E83 HydrophobicContact CE1-CG 3.95Å; F50-E83 HydrophobicContact CZ-CB 4.39Å; F50-E83 HydrophobicContact CZ-CG 4.23Å; T81-E83 WeakPolarHBondContact CB-OE2 3.17Å; T81-E83 PolarHBondContact O-N 3.34Å; E83-L85 PolarHBondContact O-N 3.35Å; E83-C86 PolarHBondContact O-N 2.71Å; E83-A87 VanDerWaalsContact O-CB 3.28Å; E83-A87 WeakPolarHBondContact O-CB 3.44Å; E83-A87 PolarHBondContact O-N 3.06Å
84	E	58.2	Low	51.8	Low	48 Å²	48	90 Å²	90	22%	0.224	44%	0.439	C	S	.	.	H	α-helix	trans	-62.2	-42.8	176.6	-76.6	168	144.4	0	0	111.9	P80 T81 E88 K231	P80-E84 VanDerWaalsContact CA-OE2 3.27Å; P80-E84 WeakPolarHBondContact CA-OE2 3.22Å; P80-E84 HydrophobicContact CB-CB 3.95Å; T81-E84 PolarHBondContact N-OE2 3.03Å; T81-E84 PolarHBondContact O-N 3.08Å; T81-E84 WeakPolarHBondContact OG1-CB 3.39Å; T81-E84 VanDerWaalsContact OG1-CG 3.23Å; T81-E84 WeakPolarHBondContact OG1-CG 3.48Å; T81-E84 PolarHBondContact OG1-N 3.46Å; T81-E84 PolarHBondContact OG1-OE2 3.4Å; E84-E88 WeakPolarHBondContact O-CB 3.24Å; E84-E88 PolarHBondContact O-N 3.27Å; E84-K231 IonicContact OE1-NZ 2.79Å; E84-K231 PolarHBondContact OE1-NZ 2.87Å
85	L	62.7	Low	52.6	Low	53 Å²	53	84.9 Å²	84.9	28%	0.277	43%	0.425	S	S	.	.	H	α-helix	trans	-65.6	-40.7	175.8	-73.5	171.4	0	0	0	112.1	V59 V62 P80 T81 F82 E83 R89	V59-L85 HydrophobicContact CG1-CB 3.81Å; V62-L85 HydrophobicContact CG2-CD1 4.08Å; P80-L85 HydrophobicContact CB-CD2 4.34Å; P80-L85 HydrophobicContact CB-CG 4.2Å; P80-L85 HydrophobicContact CG-CD2 3.83Å; P80-L85 HydrophobicContact CG-CG 4.09Å; T81-L85 WeakPolarHBondContact O-CG 3.23Å; T81-L85 PolarHBondContact O-N 3.19Å; F82-L85 PolarHBondContact O-N 2.95Å; E83-L85 PolarHBondContact O-N 3.35Å; L85-R89 WeakPolarHBondContact O-CB 3.37Å; L85-R89 PolarHBondContact O-N 2.9Å
86	C	62.5	Low	53.3	Low	2 Å²	2	74.7 Å²	74.7	1%	0.014	39%	0.386	C	S	.	.	H	α-helix	trans	-62.4	-49.8	177.2	-178.1	0	0	0	0	110.9	F50 C54 V59 F82 E83 E88 R89 V90	F50-C86 HydrophobicContact CZ-CB 4.28Å; C54-C86 WeakPolarHBondContact CA-SG 3.4Å; C54-C86 HydrophobicContact CB-CB 3.69Å; C54-C86 WeakPolarHBondContact CB-SG 3.17Å; C54-C86 WeakPolarHBondContact SG-CB 3.02Å; C54-C86 CovalentContact SG-SG 2.02Å; C54-C86 PolarHBondContact SG-SG 2.75Å; V59-C86 HydrophobicContact CG1-CB 4.41Å; V59-C86 HydrophobicContact CG2-CB 4.12Å; F82-C86 VanDerWaalsContact O-CB 3.29Å; F82-C86 WeakPolarHBondContact O-CB 3.34Å; F82-C86 PolarHBondContact O-N 2.9Å; E83-C86 PolarHBondContact O-N 2.71Å; C86-E88 PolarHBondContact O-N 3.33Å; C86-R89 WeakPolarHBondContact O-CB 3.5Å; C86-R89 PolarHBondContact O-N 3.49Å; C86-R89 VanDerWaalsContact O-N 3.13Å; C86-V90 WeakPolarHBondContact O-CG2 3.28Å; C86-V90 PolarHBondContact O-N 2.9Å
87	A	58.2	Low	53.9	Low	4 Å²	4	74 Å²	74	3%	0.033	38%	0.383	C	S	.	.	H	α-helix	trans	-60	-47.2	178.9	0	0	0	0	0	110.9	E83 R89 V90 S91 W158	E83-A87 VanDerWaalsContact O-CB 3.28Å; E83-A87 WeakPolarHBondContact O-CB 3.44Å; E83-A87 PolarHBondContact O-N 3.06Å; A87-R89 VanDerWaalsContact C-N 3.28Å; A87-R89 PolarHBondContact O-N 3.08Å; A87-V90 WeakPolarHBondContact O-CB 3.44Å; A87-V90 PolarHBondContact O-N 3.35Å; A87-V90 VanDerWaalsContact O-N 3.11Å; A87-S91 PolarHBondContact O-N 3.24Å; A87-W158 HydrophobicContact CB-CD2 3.66Å; A87-W158 HydrophobicContact CB-CE3 3.26Å; A87-W158 HydrophobicContact CB-CH2 3.35Å; A87-W158 HydrophobicContact CB-CZ2 3.67Å; A87-W158 HydrophobicContact CB-CZ3 3.1Å; A87-W158 WeakPolarHBondContact O-CH2 3.46Å
88	E	60.4	Low	54.4	Low	87 Å²	87	69.1 Å²	69.1	41%	0.407	37%	0.369	S	S	.	.	H	α-helix	trans	-55.4	-41.4	174.9	-168.8	-169	163.3	0	0	112.5	E84 C86 S91 K92	E84-E88 WeakPolarHBondContact O-CB 3.24Å; E84-E88 PolarHBondContact O-N 3.27Å; C86-E88 PolarHBondContact O-N 3.33Å; E88-S91 PolarHBondContact O-N 3.47Å; E88-K92 WeakPolarHBondContact O-CG 3.3Å; E88-K92 PolarHBondContact O-N 3.37Å; E88-K92 VanDerWaalsContact OE1-CE 3.3Å; E88-K92 WeakPolarHBondContact OE1-CE 3.43Å; E88-K92 IonicContact OE1-NZ 3.24Å; E88-K92 PolarHBondContact OE1-NZ 3.01Å
89	R	62.6	Low	54.2	Low	123 Å²	123	73.2 Å²	73.2	46%	0.464	37%	0.367	S	S	.	.	H	α-helix	trans	-68.4	-40.6	178.2	-161.9	106.3	176.4	149.6	1.7	112.1	I57 V59 L85 C86 A87 K92 K93	I57-R89 HydrophobicContact CB-CG 4.43Å; I57-R89 HydrophobicContact CD1-CB 3.98Å; I57-R89 HydrophobicContact CD1-CG 4.17Å; I57-R89 HydrophobicContact CG1-CB 4.47Å; I57-R89 HydrophobicContact CG1-CG 4.21Å; I57-R89 WeakPolarHBondContact O-CG 3.41Å; I57-R89 PolarHBondContact O-NE 3.16Å; V59-R89 HydrophobicContact CG2-CB 3.88Å; V59-R89 HydrophobicContact CG2-CG 4.17Å; L85-R89 WeakPolarHBondContact O-CB 3.37Å; L85-R89 PolarHBondContact O-N 2.9Å; C86-R89 WeakPolarHBondContact O-CB 3.5Å; C86-R89 PolarHBondContact O-N 3.49Å; C86-R89 VanDerWaalsContact O-N 3.13Å; A87-R89 VanDerWaalsContact C-N 3.28Å; A87-R89 PolarHBondContact O-N 3.08Å; R89-K92 PolarHBondContact O-N 3.38Å; R89-K93 PolarHBondContact O-N 3.18Å
90	V	58.5	Low	53.8	Low	26 Å²	26	69.9 Å²	69.9	16%	0.158	35%	0.353	C	S	.	.	H	α-helix	trans	-58.5	-48.7	174.3	172.7	0	0	0	0	109.9	F53 I57 C86 A87 K92 K93 T94	F53-V90 HydrophobicContact CE1-CG2 3.59Å; F53-V90 HydrophobicContact CZ-CG2 3.91Å; I57-V90 HydrophobicContact CD1-CG2 3.46Å; I57-V90 VanDerWaalsContact CD1-CG2 3.46Å; C86-V90 WeakPolarHBondContact O-CG2 3.28Å; C86-V90 PolarHBondContact O-N 2.9Å; A87-V90 WeakPolarHBondContact O-CB 3.44Å; A87-V90 PolarHBondContact O-N 3.35Å; A87-V90 VanDerWaalsContact O-N 3.11Å; V90-K92 PolarHBondContact O-N 2.9Å; V90-K93 PolarHBondContact O-N 2.86Å; V90-T94 HydrophobicContact CG1-CG2 4.14Å; V90-T94 WeakPolarHBondContact O-CB 3.29Å; V90-T94 VanDerWaalsContact O-CG2 3.29Å; V90-T94 WeakPolarHBondContact O-CG2 3.47Å; V90-T94 PolarHBondContact O-N 3.49Å; V90-T94 PolarHBondContact O-OG1 2.9Å
91	S	54.4	Low	53.2	Low	38 Å²	38	67.4 Å²	67.4	27%	0.266	34%	0.337	S	S	.	.	H	α-helix	trans	-60.2	-44.9	177.9	-179.7	0	0	0	0	111.6	A87 E88 G95 L96	A87-S91 PolarHBondContact O-N 3.24Å; E88-S91 PolarHBondContact O-N 3.47Å; S91-G95 WeakPolarHBondContact O-CA 3.42Å; S91-G95 PolarHBondContact O-N 2.83Å; S91-L96 PolarHBondContact OG-O 3.36Å
92	K	60.6	Low	52.5	Low	149 Å²	149	66.1 Å²	66.1	65%	0.648	33%	0.328	S	S	*	.	H	α-helix	trans	-63.1	-42.4	176.9	-75.7	179.1	-173.5	166.2	0	114.2	E88 R89 V90	E88-K92 WeakPolarHBondContact O-CG 3.3Å; E88-K92 PolarHBondContact O-N 3.37Å; E88-K92 VanDerWaalsContact OE1-CE 3.3Å; E88-K92 WeakPolarHBondContact OE1-CE 3.43Å; E88-K92 IonicContact OE1-NZ 3.24Å; E88-K92 PolarHBondContact OE1-NZ 3.01Å; R89-K92 PolarHBondContact O-N 3.38Å; V90-K92 PolarHBondContact O-N 2.9Å
93	K	54.5	Low	51.6	Low	75 Å²	75	68.9 Å²	68.9	33%	0.326	35%	0.353	S	S	.	.	H	α-helix	trans	-73.4	-38.6	-179.3	-87.8	-156.6	179.6	-165.3	0	111.9	I57 R89 V90 E118	I57-K93 HydrophobicContact CB-CD 4.48Å; R89-K93 PolarHBondContact O-N 3.18Å; V90-K93 PolarHBondContact O-N 2.86Å; K93-E118 IonicContact NZ-OE1 3.3Å; K93-E118 PolarHBondContact NZ-OE1 2.81Å; K93-E118 IonicContact NZ-OE2 2.75Å; K93-E118 PolarHBondContact NZ-OE2 3.41Å
94	T	47.5	Very low	50.5	Low	41 Å²	41	66.3 Å²	66.3	25%	0.252	35%	0.351	S	S	.	.	H	α-helix	trans	-87.4	-20.4	-173.7	60.8	0	0	0	0	113.1	V90 L96 L114	V90-T94 HydrophobicContact CG1-CG2 4.14Å; V90-T94 WeakPolarHBondContact O-CB 3.29Å; V90-T94 VanDerWaalsContact O-CG2 3.29Å; V90-T94 WeakPolarHBondContact O-CG2 3.47Å; V90-T94 PolarHBondContact O-N 3.49Å; V90-T94 PolarHBondContact O-OG1 2.9Å; T94-L96 VanDerWaalsContact CB-CD1 3.5Å; T94-L96 HydrophobicContact CG2-CD1 3.97Å; T94-L96 PolarHBondContact O-N 3.14Å; T94-L96 VanDerWaalsContact OG1-CB 3.31Å; T94-L96 WeakPolarHBondContact OG1-CB 3.49Å; T94-L96 WeakPolarHBondContact OG1-CD1 3.35Å; T94-L96 WeakPolarHBondContact OG1-CG 3.3Å; T94-L96 PolarHBondContact OG1-N 2.79Å; T94-L114 HydrophobicContact CG2-CD1 3.68Å
95	G	47.1	Very low	49.5	Very low	55 Å²	55	71.1 Å²	71.1	57%	0.567	37%	0.374	S	S	*	.			trans	67	6.4	-168.2	0	0	0	0	0	113.2	S91 E97	S91-G95 WeakPolarHBondContact O-CA 3.42Å; S91-G95 PolarHBondContact O-N 2.83Å; G95-E97 PolarHBondContact O-N 3.37Å
96	L	43.6	Very low	48.3	Very low	24 Å²	24	70.2 Å²	70.2	13%	0.126	37%	0.369	C	S	.	.			trans	-77.1	120	179.9	-60.5	164.9	0	0	0	108.2	S91 T94 E100 V101	S91-L96 PolarHBondContact OG-O 3.36Å; T94-L96 VanDerWaalsContact CB-CD1 3.5Å; T94-L96 HydrophobicContact CG2-CD1 3.97Å; T94-L96 PolarHBondContact O-N 3.14Å; T94-L96 VanDerWaalsContact OG1-CB 3.31Å; T94-L96 WeakPolarHBondContact OG1-CB 3.49Å; T94-L96 WeakPolarHBondContact OG1-CD1 3.35Å; T94-L96 WeakPolarHBondContact OG1-CG 3.3Å; T94-L96 PolarHBondContact OG1-N 2.79Å; L96-E100 HydrophobicContact CB-CB 4.33Å; L96-E100 HydrophobicContact CD2-CB 3.88Å; L96-E100 WeakPolarHBondContact CD2-OE2 3.29Å; L96-V101 HydrophobicContact CB-CG2 3.37Å; L96-V101 HydrophobicContact CD1-CG2 3.79Å; L96-V101 HydrophobicContact CG-CG2 4.15Å
97	E	45.7	Very low	47.1	Very low	151 Å²	151	74.4 Å²	74.4	71%	0.706	40%	0.395	S	S	*	.			trans	-75	160.5	168.1	-65.5	-172.7	170.6	0	0	109.9	G95 E99 E100	G95-E97 PolarHBondContact O-N 3.37Å; E97-E99 PolarHBondContact O-N 2.82Å; E97-E100 PolarHBondContact O-N 3.38Å
98	E	45.1	Very low	46	Very low	118 Å²	118	78.4 Å²	78.4	55%	0.551	42%	0.415	S	S	*	.	H	α-helix	trans	-44.7	-41.1	-174.2	-171.3	176	177.3	0	0	113	D102	E98-D102 WeakPolarHBondContact O-CB 3.43Å
99	E	43.1	Very low	44.9	Very low	164 Å²	164	77.7 Å²	77.7	77%	0.766	42%	0.42	S	S	*	.	H	α-helix	trans	-70.6	-32.1	179.5	-67	-174.3	167.8	0	0	113.9	E97 A103	E97-E99 PolarHBondContact O-N 2.82Å; E99-A103 WeakPolarHBondContact O-CB 3.44Å; E99-A103 PolarHBondContact O-N 2.79Å
100	E	39	Very low	43.7	Very low	87 Å²	87	80 Å²	80	41%	0.407	43%	0.428	S	S	.	.	H	α-helix	trans	-78.3	-35.2	-172	-68.6	-169.2	151.2	0	0	113	L96 E97	L96-E100 HydrophobicContact CB-CB 4.33Å; L96-E100 HydrophobicContact CD2-CB 3.88Å; L96-E100 WeakPolarHBondContact CD2-OE2 3.29Å; E97-E100 PolarHBondContact O-N 3.38Å
101	V	39.5	Very low	42.7	Very low	10 Å²	10	81.3 Å²	81.3	6%	0.061	44%	0.437	C	S	.	.	H	α-helix	trans	-70.6	-41	173.5	-169.4	0	0	0	0	110.1	L96 L106	L96-V101 HydrophobicContact CB-CG2 3.37Å; L96-V101 HydrophobicContact CD1-CG2 3.79Å; L96-V101 HydrophobicContact CG-CG2 4.15Å; V101-L106 HydrophobicContact CG1-CD1 4.33Å
102	D	42.6	Very low	41.9	Very low	31 Å²	31	81.8 Å²	81.8	17%	0.166	44%	0.436	C	S	.	.	H	α-helix	trans	-82.3	-24.9	-173.6	-80.5	-3.5	0	0	0	113.9	E98 G104 K235	E98-D102 WeakPolarHBondContact O-CB 3.43Å; D102-G104 PolarHBondContact O-N 3.1Å; D102-G104 VanDerWaalsContact O-N 3.14Å; D102-K235 HydrophobicContact CB-CD 4.45Å; D102-K235 PolarHBondContact O-NZ 3.44Å
103	A	39.2	Very low	40.9	Very low	69 Å²	69	77.9 Å²	77.9	57%	0.57	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71	-1	177.1	0	0	0	0	0	114	E99 Q105	E99-A103 WeakPolarHBondContact O-CB 3.44Å; E99-A103 PolarHBondContact O-N 2.79Å; A103-Q105 HydrophobicContact CB-CG 4.44Å; A103-Q105 PolarHBondContact O-N 3.44Å
104	G	36.4	Very low	40.1	Very low	38 Å²	38	77.4 Å²	77.4	39%	0.392	43%	0.425	S	S	.	.	T	Hydrogen-bonded Turn	trans	64.3	23	-177.8	0	0	0	0	0	115.5	D102 L106	D102-G104 PolarHBondContact O-N 3.1Å; D102-G104 VanDerWaalsContact O-N 3.14Å; G104-L106 PolarHBondContact O-N 2.86Å; G104-L106 VanDerWaalsContact O-N 3.15Å
105	Q	36.2	Very low	39.6	Very low	149 Å²	149	79 Å²	79	70%	0.696	43%	0.432	S	S	*	.			trans	-75	14	167.5	-69.8	-168.9	-10	0	0	113.1	A103 T107	A103-Q105 HydrophobicContact CB-CG 4.44Å; A103-Q105 PolarHBondContact O-N 3.44Å; Q105-T107 VanDerWaalsContact C-N 3.34Å; Q105-T107 PolarHBondContact O-N 3.47Å
106	L	36.7	Very low	39	Very low	33 Å²	33	82.3 Å²	82.3	17%	0.173	44%	0.436	C	S	.	.			trans	-67.9	91.3	165.4	-71.3	159.9	0	0	0	109.3	V101 G104 L108 V111 L151	V101-L106 HydrophobicContact CG1-CD1 4.33Å; G104-L106 PolarHBondContact O-N 2.86Å; G104-L106 VanDerWaalsContact O-N 3.15Å; L106-L108 PolarHBondContact O-N 2.79Å; L106-V111 HydrophobicContact CD2-CG2 3.44Å; L106-V111 VanDerWaalsContact CD2-CG2 3.44Å; L106-L151 HydrophobicContact CB-CD1 4.39Å; L106-L151 HydrophobicContact CB-CD2 4.08Å; L106-L151 HydrophobicContact CD1-CD2 3.72Å; L106-L151 HydrophobicContact CD1-CG 3.96Å; L106-L151 HydrophobicContact CG-CD2 4.35Å
107	T	37.1	Very low	38.6	Very low	90 Å²	90	87 Å²	87	55%	0.552	46%	0.461	S	S	*	.			trans	-62.1	119.7	147.8	42	0	0	0	0	106.7	Q105 S109 R110	Q105-T107 VanDerWaalsContact C-N 3.34Å; Q105-T107 PolarHBondContact O-N 3.47Å; T107-S109 PolarHBondContact O-N 3.29Å; T107-R110 PolarHBondContact O-N 2.86Å
108	L	35.1	Very low	38.1	Very low	89 Å²	89	85.8 Å²	85.8	47%	0.466	46%	0.456	S	S	.	.	T	Hydrogen-bonded Turn	trans	-38.9	-30.7	177.8	-127.3	91.9	0	0	0	113.4	L106 R110 L112 A144	L106-L108 PolarHBondContact O-N 2.79Å; L108-R110 VanDerWaalsContact C-N 3.35Å; L108-R110 PolarHBondContact O-N 3.36Å; L108-L112 HydrophobicContact CB-CD1 4.48Å; L108-L112 HydrophobicContact CD2-CD1 3.96Å; L108-L112 HydrophobicContact CG-CD1 4.38Å; L108-L112 WeakPolarHBondContact O-CD1 3.14Å; L108-L112 WeakPolarHBondContact O-CG 3.35Å; L108-L112 PolarHBondContact O-N 2.82Å; L108-A144 HydrophobicContact CD2-CB 4.09Å
109	S	37.3	Very low	37.2	Very low	72 Å²	72	89 Å²	89	50%	0.503	46%	0.464	S	S	.	.	H	α-helix	trans	-56.8	-36.6	-179.9	70.5	0	0	0	0	114.8	T107 T113	T107-S109 PolarHBondContact O-N 3.29Å; S109-T113 WeakPolarHBondContact O-CG2 3.38Å; S109-T113 PolarHBondContact O-N 3.03Å; S109-T113 PolarHBondContact O-OG1 2.83Å
110	R	37.8	Very low	36.5	Very low	170 Å²	170	88.6 Å²	88.6	64%	0.642	46%	0.462	S	S	*	.	H	α-helix	trans	-78.1	-36	-172.1	-100.9	-177.2	172.2	-178.2	-3.4	114.1	T107 L108 T113	T107-R110 PolarHBondContact O-N 2.86Å; L108-R110 VanDerWaalsContact C-N 3.35Å; L108-R110 PolarHBondContact O-N 3.36Å; R110-T113 WeakPolarHBondContact CA-OG1 3.15Å; R110-T113 PolarHBondContact O-OG1 2.73Å
111	V	38.3	Very low	36	Very low	55 Å²	55	92.1 Å²	92.1	33%	0.333	48%	0.484	S	S	.	.	H	α-helix	trans	-71.8	-39.6	174.5	174.4	0	0	0	0	110.2	L106 T113 L114	L106-V111 HydrophobicContact CD2-CG2 3.44Å; L106-V111 VanDerWaalsContact CD2-CG2 3.44Å; V111-T113 PolarHBondContact O-N 3.11Å; V111-L114 PolarHBondContact O-N 2.78Å
112	L	37.2	Very low	35.4	Very low	47 Å²	47	95.9 Å²	95.9	25%	0.246	51%	0.507	C	S	.	.	H	α-helix	trans	-66	-34.2	176.7	-71.7	169.5	0	0	0	113	L108 L114 D115 L116 I143	L108-L112 HydrophobicContact CB-CD1 4.48Å; L108-L112 HydrophobicContact CD2-CD1 3.96Å; L108-L112 HydrophobicContact CG-CD1 4.38Å; L108-L112 WeakPolarHBondContact O-CD1 3.14Å; L108-L112 WeakPolarHBondContact O-CG 3.35Å; L108-L112 PolarHBondContact O-N 2.82Å; L112-L114 PolarHBondContact O-N 3.45Å; L112-D115 PolarHBondContact O-N 3.49Å; L112-L116 PolarHBondContact O-N 2.74Å; L112-I143 HydrophobicContact CD2-CB 4.36Å; L112-I143 HydrophobicContact CD2-CD1 4.24Å; L112-I143 HydrophobicContact CD2-CG2 3.78Å
113	T	39.5	Very low	34.5	Very low	67 Å²	67	100.3 Å²	100.3	41%	0.411	54%	0.535	S	S	.	.	H	α-helix	trans	-68.3	-19.5	177.6	40.3	0	0	0	0	114.6	S109 R110 V111	S109-T113 WeakPolarHBondContact O-CG2 3.38Å; S109-T113 PolarHBondContact O-N 3.03Å; S109-T113 PolarHBondContact O-OG1 2.83Å; R110-T113 WeakPolarHBondContact CA-OG1 3.15Å; R110-T113 PolarHBondContact O-OG1 2.73Å; V111-T113 PolarHBondContact O-N 3.11Å
114	L	38.7	Very low	33.8	Very low	65 Å²	65	106.1 Å²	106.1	34%	0.34	54%	0.543	S	S	.	.	H	α-helix	trans	-74.2	-27.8	176.9	-81.5	164.4	0	0	0	112.5	T94 V111 L112	T94-L114 HydrophobicContact CG2-CD1 3.68Å; V111-L114 PolarHBondContact O-N 2.78Å; L112-L114 PolarHBondContact O-N 3.45Å
115	D	36.7	Very low	33.3	Very low	76 Å²	76	111.6 Å²	111.6	41%	0.406	56%	0.564	S	S	.	*	H	α-helix	trans	-85.3	-26.7	179.3	-127.5	-5.1	0	0	0	112.5	L112	L112-D115 PolarHBondContact O-N 3.49Å
116	L	34.6	Very low	32.8	Very low	123 Å²	123	110.1 Å²	110.1	64%	0.644	57%	0.565	S	S	*	*	H	α-helix	trans	-79.1	-29.9	-178.7	-70.8	171.1	0	0	0	113.7	L112	L112-L116 PolarHBondContact O-N 2.74Å
117	N	35.2	Very low	32.2	Very low	123 Å²	123	115.7 Å²	115.7	66%	0.658	59%	0.594	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.1	-13.7	-174.6	-71	-6.4	0	0	0	114.3
118	E	35.1	Very low	31.8	Very low	125 Å²	125	115.8 Å²	115.8	58%	0.584	60%	0.599	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.1	3	175.3	-82.1	-178.8	-173.6	0	0	113	K93	K93-E118 IonicContact NZ-OE1 3.3Å; K93-E118 PolarHBondContact NZ-OE1 2.81Å; K93-E118 IonicContact NZ-OE2 2.75Å; K93-E118 PolarHBondContact NZ-OE2 3.41Å
119	Y	26.8	Very low	31.3	Very low	187 Å²	187	121.2 Å²	121.2	73%	0.733	62%	0.619	S	S	*	*	S	Bend	trans	-111.7	5.6	177.7	-100.4	-81.7	0	0	0	116
120	E	28	Very low	30.7	Very low	154 Å²	154	124.9 Å²	124.9	72%	0.72	63%	0.633	S	S	*	*	S	Bend	trans	-84.9	-7.3	176	-80.6	-167.9	158	0	0	115.1	T122	E120-T122 PolarHBondContact O-N 3.29Å
121	D	28.3	Very low	30.2	Very low	161 Å²	161	125.6 Å²	125.6	86%	0.861	64%	0.644	S	S	*	*			trans	-95.9	29.3	-176.6	-86.9	-17.8	0	0	0	115.1
122	T	27	Very low	29.6	Very low	90 Å²	90	129.2 Å²	129.2	55%	0.552	67%	0.666	S	S	*	*			trans	-122.4	65.8	160.2	45.3	0	0	0	0	110.5	E120 Y124	E120-T122 PolarHBondContact O-N 3.29Å; T122-Y124 HydrophobicContact CG2-CE2 4.27Å; T122-Y124 PolarHBondContact O-N 3.03Å
123	V	24.5	Very low	29.2	Very low	124 Å²	124	136.2 Å²	136.2	75%	0.752	70%	0.697	S	S	*	*			trans	-61.1	89.3	159.1	-178.6	0	0	0	0	107.5
124	Y	24.3	Very low	28.6	Very low	190 Å²	190	140.8 Å²	140.8	75%	0.745	71%	0.714	S	S	*	*			trans	-80.9	111.4	157.6	-78.3	-80.6	0	0	0	106.8	T122 V126	T122-Y124 HydrophobicContact CG2-CE2 4.27Å; T122-Y124 PolarHBondContact O-N 3.03Å; Y124-V126 PolarHBondContact O-N 2.88Å
125	D	25.7	Very low	28.1	Very low	154 Å²	154	145.9 Å²	145.9	82%	0.824	74%	0.736	S	S	*	*			trans	-51.4	102.2	162.4	-88.9	-35.5	0	0	0	108.6
126	V	25.5	Very low	27.6	Very low	118 Å²	118	149.1 Å²	149.1	72%	0.715	76%	0.758	S	S	*	*			trans	-134.3	84.8	164.7	-167.2	0	0	0	0	107.3	Y124	Y124-V126 PolarHBondContact O-N 2.88Å
127	D	24.5	Very low	27.5	Very low	149 Å²	149	150.6 Å²	150.6	80%	0.797	76%	0.762	S	S	*	*			trans	-52	135.2	159.1	-85.4	-40.3	0	0	0	109.7
128	S	27.8	Very low	27.4	Very low	92 Å²	92	150.2 Å²	150.2	64%	0.643	76%	0.764	S	S	*	*			trans	66.1	113.2	171.1	68.3	0	0	0	0	116.1
129	F	24.1	Very low	27.2	Very low	204 Å²	204	153 Å²	153	90%	0.895	78%	0.775	S	S	*	*				-174.4	129.2	115	-102.6	-78.5	0	0	0	109.2
130	D	24.5	Very low	27.5	Very low	148 Å²	148	149 Å²	149	79%	0.791	77%	0.766	S	S	*	*			trans	-63.1	151.2	-178.3	-62.5	-62.2	0	0	0	113.8
131	E	28	Very low	27.9	Very low	186 Å²	186	149.4 Å²	149.4	87%	0.869	77%	0.765	S	S	*	*			trans	51.4	90	152.8	-67.1	179.3	174.6	0	0	118.4
132	V	25.8	Very low	28.4	Very low	131 Å²	131	143.9 Å²	143.9	79%	0.794	74%	0.738	S	S	*	*			trans	-136.5	91.7	145.9	-171.9	0	0	0	0	108.7	E134	V132-E134 HydrophobicContact CG1-CB 4.37Å; V132-E134 PolarHBondContact O-N 3.29Å
133	E	28.7	Very low	29	Very low	193 Å²	193	142 Å²	142	90%	0.902	72%	0.724	S	S	*	*			trans	-76.6	102.9	157.1	-78.2	-175.1	154.8	0	0	107.4
134	E	27.2	Very low	29.8	Very low	164 Å²	164	137.4 Å²	137.4	77%	0.766	70%	0.699	S	S	*	*			trans	-157.2	111.5	161.7	-114.7	168.8	-161.3	0	0	112.2	V132	V132-E134 HydrophobicContact CG1-CB 4.37Å; V132-E134 PolarHBondContact O-N 3.29Å
135	E	28.3	Very low	30.7	Very low	171 Å²	171	132.4 Å²	132.4	80%	0.799	69%	0.685	S	S	*	*			trans	66.2	64.6	145	-61	-173.4	169.6	0	0	120.8	E137	E135-E137 PolarHBondContact O-N 2.89Å
136	T	26.4	Very low	31.6	Very low	144 Å²	144	126 Å²	126	88%	0.883	65%	0.65	S	S	*	*			trans	-86.8	74.4	153.4	50.2	0	0	0	0	111.2
137	E	32.7	Very low	32.5	Very low	155 Å²	155	121.3 Å²	121.3	72%	0.724	63%	0.625	S	S	*	*			trans	-137	9.4	173.2	-116.7	-167.7	-165.3	0	0	116.1	E135	E135-E137 PolarHBondContact O-N 2.89Å
138	V	32.4	Very low	33.5	Very low	115 Å²	115	118.7 Å²	118.7	70%	0.697	61%	0.608	S	S	*	*	S	Bend	trans	-103.4	-20.3	-176.2	-173.5	0	0	0	0	114.4
139	F	29.8	Very low	34.4	Very low	183 Å²	183	116 Å²	116	80%	0.803	59%	0.586	S	S	*	*	S	Bend	trans	-88.6	-16	-174.4	-88.7	-85.3	0	0	0	116.3	P142	F139-P142 WeakPolarHBondContact O-CD 3.14Å
140	D	34.5	Very low	35.4	Very low	104 Å²	104	107.3 Å²	107.3	56%	0.556	55%	0.549	S	S	*	.	H	α-helix	trans	-80.3	-29.3	-175.6	-77.9	-26.3	0	0	0	114.5	A144	D140-A144 PolarHBondContact O-N 3.49Å
141	K	36.8	Very low	36.3	Very low	161 Å²	161	102.5 Å²	102.5	70%	0.7	52%	0.522	S	S	*	.	H	α-helix	trans	-65	-42.2	-176.6	-74.9	175.1	-178.5	158	0	113.8	L145	K141-L145 WeakPolarHBondContact O-CB 3.44Å; K141-L145 PolarHBondContact O-N 3.45Å; K141-L145 VanDerWaalsContact O-N 3.11Å
142	P	37.4	Very low	37.3	Very low	46 Å²	46	100.2 Å²	100.2	30%	0.299	51%	0.51	S	S	.	.	H	α-helix	trans	-64.2	-43.5	179.1	-21	32.5	0	0	0	112.9	M49 F139 L145 F146	M49-P142 VanDerWaalsContact CE-C 3.43Å; M49-P142 HydrophobicContact CE-CB 3.56Å; M49-P142 WeakPolarHBondContact CE-O 3.39Å; M49-P142 HydrophobicContact SD-CB 3.39Å; M49-P142 WeakPolarHBondContact SD-CB 3.41Å; F139-P142 WeakPolarHBondContact O-CD 3.14Å; P142-L145 WeakPolarHBondContact O-CB 3.44Å; P142-L145 PolarHBondContact O-N 2.98Å; P142-F146 WeakPolarHBondContact O-CB 3.14Å; P142-F146 PolarHBondContact O-N 3.36Å
143	I	39.9	Very low	38.5	Very low	50 Å²	50	94.6 Å²	94.6	26%	0.256	48%	0.479	S	S	.	.	H	α-helix	trans	-67.5	-41.7	-176.8	-60.8	173.2	0	0	0	110.4	M49 L112 L145 F146 G147	M49-I143 HydrophobicContact CE-CG1 4.1Å; L112-I143 HydrophobicContact CD2-CB 4.36Å; L112-I143 HydrophobicContact CD2-CD1 4.24Å; L112-I143 HydrophobicContact CD2-CG2 3.78Å; I143-L145 VanDerWaalsContact C-N 3.31Å; I143-L145 PolarHBondContact O-N 3.12Å; I143-F146 PolarHBondContact O-N 2.72Å; I143-G147 PolarHBondContact O-N 3.25Å
144	A	41.5	Very low	39.5	Very low	27 Å²	27	92.2 Å²	92.2	22%	0.223	46%	0.461	C	S	.	.	H	α-helix	trans	-61.2	-39.6	174	0	0	0	0	0	112.2	L108 D140 Q148	L108-A144 HydrophobicContact CD2-CB 4.09Å; D140-A144 PolarHBondContact O-N 3.49Å; A144-Q148 WeakPolarHBondContact O-CB 3.21Å; A144-Q148 WeakPolarHBondContact O-CG 3.22Å; A144-Q148 PolarHBondContact O-N 3.32Å
145	L	42.6	Very low	40.8	Very low	86 Å²	86	86.2 Å²	86.2	45%	0.45	43%	0.434	S	S	.	.	H	α-helix	trans	-66.2	-44.5	176.7	-175.6	66.8	0	0	0	111.4	K141 P142 I143 Q148 M149	K141-L145 WeakPolarHBondContact O-CB 3.44Å; K141-L145 PolarHBondContact O-N 3.45Å; K141-L145 VanDerWaalsContact O-N 3.11Å; P142-L145 WeakPolarHBondContact O-CB 3.44Å; P142-L145 PolarHBondContact O-N 2.98Å; I143-L145 VanDerWaalsContact C-N 3.31Å; I143-L145 PolarHBondContact O-N 3.12Å; L145-Q148 WeakPolarHBondContact O-CB 3.29Å; L145-Q148 PolarHBondContact O-N 2.87Å; L145-M149 HydrophobicContact CG-SD 4.36Å; L145-M149 WeakPolarHBondContact O-CG 3.36Å; L145-M149 PolarHBondContact O-N 3.07Å
146	F	45.7	Very low	42.7	Very low	19 Å²	19	79.9 Å²	79.9	8%	0.083	41%	0.409	C	S	.	.	H	α-helix	trans	-61.4	-47.9	177	-177.7	-104	0	0	0	111.9	M49 F50 P142 I143 Q148 M149 I150 I155	M49-F146 HydrophobicContact CE-CB 4.09Å; F50-F146 HydrophobicContact CB-CE2 3.75Å; F50-F146 HydrophobicContact CB-CZ 3.89Å; F50-F146 HydrophobicContact CD2-CE2 4.14Å; F50-F146 AromaticContact CD2-CZ 3.68Å; F50-F146 HydrophobicContact CD2-CZ 3.68Å; F50-F146 HydrophobicContact CG-CE2 4.46Å; F50-F146 HydrophobicContact CG-CZ 4.26Å; P142-F146 WeakPolarHBondContact O-CB 3.14Å; P142-F146 PolarHBondContact O-N 3.36Å; I143-F146 PolarHBondContact O-N 2.72Å; F146-Q148 VanDerWaalsContact C-N 3.32Å; F146-Q148 PolarHBondContact O-N 2.9Å; F146-M149 WeakPolarHBondContact O-CB 3.38Å; F146-M149 PolarHBondContact O-N 3.49Å; F146-I150 HydrophobicContact CD1-CD1 3.7Å; F146-I150 HydrophobicContact CE1-CD1 3.32Å; F146-I150 HydrophobicContact CE1-CG1 4.39Å; F146-I150 HydrophobicContact CG-CD1 4.47Å; F146-I150 HydrophobicContact CZ-CD1 3.81Å; F146-I150 PolarHBondContact O-N 3.21Å; F146-I155 HydrophobicContact CD2-CD1 3.7Å; F146-I155 HydrophobicContact CE2-CD1 3.56Å; F146-I155 HydrophobicContact CZ-CD1 4.5Å
147	G	44.1	Very low	44.6	Very low	19 Å²	19	74.4 Å²	74.4	20%	0.196	37%	0.374	C	S	.	.	H	α-helix	trans	-57.5	-42.7	172.5	0	0	0	0	0	112.3	I143 M149 I150 L151	I143-G147 PolarHBondContact O-N 3.25Å; G147-M149 VanDerWaalsContact C-N 3.34Å; G147-M149 PolarHBondContact O-N 2.94Å; G147-I150 PolarHBondContact O-N 2.79Å; G147-L151 VanDerWaalsContact O-CB 3.28Å; G147-L151 WeakPolarHBondContact O-CB 3.4Å; G147-L151 WeakPolarHBondContact O-CD1 3.28Å; G147-L151 WeakPolarHBondContact O-CG 3.37Å; G147-L151 PolarHBondContact O-N 2.84Å
148	Q	44.4	Very low	46.7	Very low	94 Å²	94	69.6 Å²	69.6	44%	0.439	35%	0.349	S	S	.	.	H	α-helix	trans	-64.8	-33.7	174	-79.2	-172.2	10.9	0	0	113.5	A144 L145 F146 K152	A144-Q148 WeakPolarHBondContact O-CB 3.21Å; A144-Q148 WeakPolarHBondContact O-CG 3.22Å; A144-Q148 PolarHBondContact O-N 3.32Å; L145-Q148 WeakPolarHBondContact O-CB 3.29Å; L145-Q148 PolarHBondContact O-N 2.87Å; F146-Q148 VanDerWaalsContact C-N 3.32Å; F146-Q148 PolarHBondContact O-N 2.9Å; Q148-K152 VanDerWaalsContact O-CB 3.29Å; Q148-K152 WeakPolarHBondContact O-CB 3.26Å; Q148-K152 VanDerWaalsContact O-CG 3.24Å; Q148-K152 WeakPolarHBondContact O-CG 3.37Å; Q148-K152 PolarHBondContact O-N 3.38Å
149	M	47	Very low	49.3	Very low	36 Å²	36	68.7 Å²	68.7	18%	0.177	34%	0.337	C	S	.	.	H	α-helix	trans	-70.4	-41.4	177	-73.9	178.5	65.9	0	0	111.6	A46 L145 F146 G147 K152 G153 R154 I155	A46-M149 HydrophobicContact CB-CE 4.46Å; L145-M149 HydrophobicContact CG-SD 4.36Å; L145-M149 WeakPolarHBondContact O-CG 3.36Å; L145-M149 PolarHBondContact O-N 3.07Å; F146-M149 WeakPolarHBondContact O-CB 3.38Å; F146-M149 PolarHBondContact O-N 3.49Å; G147-M149 VanDerWaalsContact C-N 3.34Å; G147-M149 PolarHBondContact O-N 2.94Å; M149-K152 PolarHBondContact O-N 3.3Å; M149-G153 PolarHBondContact O-N 3.4Å; M149-R154 HydrophobicContact CB-CB 4.45Å; M149-R154 PolarHBondContact O-N 2.91Å; M149-I155 HydrophobicContact CB-CD1 3.88Å; M149-I155 HydrophobicContact CB-CG1 4.15Å; M149-I155 HydrophobicContact CE-CD1 4.21Å; M149-I155 HydrophobicContact CE-CG1 4.25Å
150	I	46.2	Very low	52.2	Low	22 Å²	22	63.1 Å²	63.1	11%	0.113	31%	0.313	C	S	.	.	H	α-helix	trans	-59.4	-51.7	170.5	-71	168.9	0	0	0	110.2	F146 G147 K152 G153 I155 L157	F146-I150 HydrophobicContact CD1-CD1 3.7Å; F146-I150 HydrophobicContact CE1-CD1 3.32Å; F146-I150 HydrophobicContact CE1-CG1 4.39Å; F146-I150 HydrophobicContact CG-CD1 4.47Å; F146-I150 HydrophobicContact CZ-CD1 3.81Å; F146-I150 PolarHBondContact O-N 3.21Å; G147-I150 PolarHBondContact O-N 2.79Å; I150-K152 PolarHBondContact O-N 3.38Å; I150-G153 WeakPolarHBondContact O-CA 3.44Å; I150-G153 PolarHBondContact O-N 3.28Å; I150-I155 HydrophobicContact CG1-CB 4.27Å; I150-I155 HydrophobicContact CG1-CD1 4.42Å; I150-L157 HydrophobicContact CB-CD1 4.31Å; I150-L157 HydrophobicContact CD1-CD1 4.02Å; I150-L157 HydrophobicContact CD1-CD2 4.3Å; I150-L157 HydrophobicContact CG1-CD1 3.96Å; I150-L157 HydrophobicContact CG1-CD2 4.35Å; I150-L157 HydrophobicContact CG1-CG 4.26Å; I150-L157 HydrophobicContact CG2-CD1 3.44Å; I150-L157 VanDerWaalsContact CG2-CD1 3.44Å; I150-L157 HydrophobicContact CG2-CG 4.39Å
151	L	43.5	Very low	55	Low	46 Å²	46	61.3 Å²	61.3	24%	0.241	30%	0.303	C	S	.	.	H	α-helix	trans	-57.8	-36.7	-179.9	-78	169.7	0	0	0	113.3	L106 G147 G153	L106-L151 HydrophobicContact CB-CD1 4.39Å; L106-L151 HydrophobicContact CB-CD2 4.08Å; L106-L151 HydrophobicContact CD1-CD2 3.72Å; L106-L151 HydrophobicContact CD1-CG 3.96Å; L106-L151 HydrophobicContact CG-CD2 4.35Å; G147-L151 VanDerWaalsContact O-CB 3.28Å; G147-L151 WeakPolarHBondContact O-CB 3.4Å; G147-L151 WeakPolarHBondContact O-CD1 3.28Å; G147-L151 WeakPolarHBondContact O-CG 3.37Å; G147-L151 PolarHBondContact O-N 2.84Å; L151-G153 PolarHBondContact O-N 2.86Å
152	K	49	Very low	57.9	Low	138 Å²	138	54.3 Å²	54.3	60%	0.6	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.8	4.6	175.8	-72.4	176.4	179	172.1	0	113.3	Q148 M149 I150 R154	Q148-K152 VanDerWaalsContact O-CB 3.29Å; Q148-K152 WeakPolarHBondContact O-CB 3.26Å; Q148-K152 VanDerWaalsContact O-CG 3.24Å; Q148-K152 WeakPolarHBondContact O-CG 3.37Å; Q148-K152 PolarHBondContact O-N 3.38Å; M149-K152 PolarHBondContact O-N 3.3Å; I150-K152 PolarHBondContact O-N 3.38Å; K152-R154 HydrophobicContact CB-CG 4.19Å; K152-R154 PolarHBondContact O-N 3.08Å
153	G	50.6	Low	60.7	Low	14 Å²	14	52.7 Å²	52.7	14%	0.144	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	64.5	16.6	-178.4	0	0	0	0	0	114.1	M149 I150 L151 I155 V353	M149-G153 PolarHBondContact O-N 3.4Å; I150-G153 WeakPolarHBondContact O-CA 3.44Å; I150-G153 PolarHBondContact O-N 3.28Å; L151-G153 PolarHBondContact O-N 2.86Å; G153-I155 VanDerWaalsContact C-N 3.32Å; G153-V353 WeakPolarHBondContact O-CG1 3.44Å
154	R	50.3	Low	63.3	Low	143 Å²	143	54.1 Å²	54.1	54%	0.54	27%	0.269	S	S	.	.			trans	-76.4	-23.4	-179.2	-68.2	-172.8	178.7	-171.6	-1.3	112.6	M149 K152	M149-R154 HydrophobicContact CB-CB 4.45Å; M149-R154 PolarHBondContact O-N 2.91Å; K152-R154 HydrophobicContact CB-CG 4.19Å; K152-R154 PolarHBondContact O-N 3.08Å
155	I	53.4	Low	65.9	Low	37 Å²	37	58.1 Å²	58.1	19%	0.19	28%	0.279	C	S	.	.	S	Bend	trans	-105.8	119.1	172.6	-64	174.9	0	0	0	107.1	F50 F146 M149 I150 G153 L157	F50-I155 HydrophobicContact CD2-CG2 4.45Å; F146-I155 HydrophobicContact CD2-CD1 3.7Å; F146-I155 HydrophobicContact CE2-CD1 3.56Å; F146-I155 HydrophobicContact CZ-CD1 4.5Å; M149-I155 HydrophobicContact CB-CD1 3.88Å; M149-I155 HydrophobicContact CB-CG1 4.15Å; M149-I155 HydrophobicContact CE-CD1 4.21Å; M149-I155 HydrophobicContact CE-CG1 4.25Å; I150-I155 HydrophobicContact CG1-CB 4.27Å; I150-I155 HydrophobicContact CG1-CD1 4.42Å; G153-I155 VanDerWaalsContact C-N 3.32Å; I155-L157 VanDerWaalsContact C-N 3.32Å; I155-L157 HydrophobicContact CG2-CD2 4.01Å; I155-L157 HydrophobicContact CG2-CG 4.37Å; I155-L157 PolarHBondContact O-N 2.89Å
156	C	67.6	Low	68.3	Low	39 Å²	39	62.7 Å²	62.7	26%	0.264	30%	0.295	S	S	.	.			trans	-78.4	77.1	-179.1	-161.5	0	0	0	0	110	W158 C233	C156-W158 VanDerWaalsContact C-N 3.26Å; C156-W158 PolarHBondContact O-N 3.01Å; C156-C233 HydrophobicContact CB-CB 4.2Å; C156-C233 WeakPolarHBondContact CB-SG 3.4Å; C156-C233 WeakPolarHBondContact SG-CA 3.24Å; C156-C233 WeakPolarHBondContact SG-CB 3.44Å; C156-C233 CovalentContact SG-SG 2.03Å; C156-C233 PolarHBondContact SG-SG 3.13Å
157	L	66.7	Low	70.6	Confident	29 Å²	29	66.2 Å²	66.2	15%	0.152	31%	0.308	C	S	.	.			trans	-64	-35	-178.9	-69.1	178.7	0	0	0	112.3	F50 I150 I155	F50-L157 HydrophobicContact CD2-CD2 4.14Å; F50-L157 HydrophobicContact CE2-CD2 3.47Å; F50-L157 VanDerWaalsContact CE2-CD2 3.47Å; F50-L157 HydrophobicContact CZ-CD2 4.46Å; I150-L157 HydrophobicContact CB-CD1 4.31Å; I150-L157 HydrophobicContact CD1-CD1 4.02Å; I150-L157 HydrophobicContact CD1-CD2 4.3Å; I150-L157 HydrophobicContact CG1-CD1 3.96Å; I150-L157 HydrophobicContact CG1-CD2 4.35Å; I150-L157 HydrophobicContact CG1-CG 4.26Å; I150-L157 HydrophobicContact CG2-CD1 3.44Å; I150-L157 VanDerWaalsContact CG2-CD1 3.44Å; I150-L157 HydrophobicContact CG2-CG 4.39Å; I155-L157 VanDerWaalsContact C-N 3.32Å; I155-L157 HydrophobicContact CG2-CD2 4.01Å; I155-L157 HydrophobicContact CG2-CG 4.37Å; I155-L157 PolarHBondContact O-N 2.89Å
158	W	78.2	Confident	72.9	Confident	54 Å²	54	66.4 Å²	66.4	21%	0.205	30%	0.303	C	S	.	.			trans	-126.6	137.3	-173.2	-49.4	102.1	0	0	0	110.7	A87 C156 C233 S234	A87-W158 HydrophobicContact CB-CD2 3.66Å; A87-W158 HydrophobicContact CB-CE3 3.26Å; A87-W158 HydrophobicContact CB-CH2 3.35Å; A87-W158 HydrophobicContact CB-CZ2 3.67Å; A87-W158 HydrophobicContact CB-CZ3 3.1Å; A87-W158 WeakPolarHBondContact O-CH2 3.46Å; C156-W158 VanDerWaalsContact C-N 3.26Å; C156-W158 PolarHBondContact O-N 3.01Å; W158-C233 WeakPolarHBondContact O-CA 3.48Å; W158-S234 PolarHBondContact O-N 2.75Å
159	Q	86.9	Confident	75.3	Confident	96 Å²	96	69.3 Å²	69.3	45%	0.449	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	128.2	176.2	-65.8	-167.3	-17.4	0	0	110.8	K231 Y232	Q159-K231 HydrophobicContact CB-CB 3.8Å; Q159-K231 HydrophobicContact CB-CD 4.07Å; Q159-Y232 CarbonylContact C-O 3.58Å; Q159-Y232 WeakPolarHBondContact CA-O 3.46Å
160	K	89	Confident	77.6	Confident	66 Å²	66	70.1 Å²	70.1	29%	0.287	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	139.3	176.7	175.2	172.2	174.4	176.4	0	110.3	W162 K231 Y232 E267	K160-W162 HydrophobicContact CD-CD2 4.05Å; K160-W162 HydrophobicContact CD-CE3 4.42Å; K160-W162 HydrophobicContact CD-CH2 4.32Å; K160-W162 HydrophobicContact CD-CZ2 3.94Å; K160-W162 HydrophobicContact CG-CD2 4.3Å; K160-W162 HydrophobicContact CG-CG 4.3Å; K160-W162 VanDerWaalsContact O-CD1 3.27Å; K160-W162 PolarHBondContact O-N 2.72Å; K160-K231 WeakPolarHBondContact O-CA 3.38Å; K160-Y232 PolarHBondContact N-O 3.11Å; K160-Y232 PolarHBondContact O-N 3.22Å; K160-Y232 VanDerWaalsContact O-N 3.07Å; K160-E267 IonicContact NZ-OE1 3.08Å; K160-E267 PolarHBondContact NZ-OE1 2.95Å; K160-E267 IonicContact NZ-OE2 2.77Å
161	D	95	Very high	79.9	Confident	65 Å²	65	69.2 Å²	69.2	35%	0.348	32%	0.323	S	S	.	.			trans	-79.1	113.3	161.6	-175.4	-13.9	0	0	0	108.4	H163 Y165	D161-H163 WeakPolarHBondContact OD1-CB 3.3Å; D161-H163 IonicContact OD1-CD2 2.65Å; D161-H163 PolarHBondContact OD1-CD2 3.38Å; D161-H163 IonicContact OD1-CG 3.89Å; D161-H163 PolarHBondContact OD1-N 3.44Å; D161-Y165 WeakPolarHBondContact OD2-CE2 3.26Å; D161-Y165 PolarHBondContact OD2-OH 3.03Å
162	W	96.4	Very high	82.3	Confident	15 Å²	15	73.9 Å²	73.9	6%	0.057	34%	0.343	C	S	.	.			trans	-93.3	4.2	-177.9	-72.5	90.4	0	0	0	114.2	K160 D164 C233 S234 L236 P265 E267 L268 N343 P346	K160-W162 HydrophobicContact CD-CD2 4.05Å; K160-W162 HydrophobicContact CD-CE3 4.42Å; K160-W162 HydrophobicContact CD-CH2 4.32Å; K160-W162 HydrophobicContact CD-CZ2 3.94Å; K160-W162 HydrophobicContact CG-CD2 4.3Å; K160-W162 HydrophobicContact CG-CG 4.3Å; K160-W162 VanDerWaalsContact O-CD1 3.27Å; K160-W162 PolarHBondContact O-N 2.72Å; W162-D164 PolarHBondContact O-N 2.92Å; W162-C233 WeakPolarHBondContact CZ2-O 3.48Å; W162-C233 PolarHBondContact NE1-O 2.94Å; W162-S234 VanDerWaalsContact CZ2-O 3.23Å; W162-S234 WeakPolarHBondContact CZ2-O 3.41Å; W162-L236 HydrophobicContact CD2-CD1 4.48Å; W162-L236 HydrophobicContact CZ2-CB 4.44Å; W162-L236 HydrophobicContact CZ2-CD1 3.77Å; W162-L236 HydrophobicContact CZ2-CG 4.1Å; W162-P265 HydrophobicContact CE3-CB 3.86Å; W162-P265 HydrophobicContact CE3-CG 3.69Å; W162-P265 HydrophobicContact CZ3-CB 3.67Å; W162-P265 HydrophobicContact CZ3-CG 3.99Å; W162-E267 HydrophobicContact CH2-CG 3.93Å; W162-E267 WeakPolarHBondContact CH2-OE1 3.17Å; W162-E267 HydrophobicContact CZ3-CG 3.73Å; W162-E267 WeakPolarHBondContact CZ3-OE1 3.3Å; W162-L268 HydrophobicContact CE3-CD1 4.09Å; W162-L268 HydrophobicContact CH2-CD1 3.76Å; W162-L268 HydrophobicContact CH2-CD2 3.69Å; W162-L268 HydrophobicContact CH2-CG 3.77Å; W162-L268 HydrophobicContact CZ2-CD1 4.31Å; W162-L268 HydrophobicContact CZ2-CD2 4.39Å; W162-L268 HydrophobicContact CZ3-CD1 3.64Å; W162-L268 HydrophobicContact CZ3-CD2 4.23Å; W162-L268 HydrophobicContact CZ3-CG 3.77Å; W162-N343 WeakPolarHBondContact CB-OD1 3.48Å; W162-P346 HydrophobicContact CB-CB 4.02Å; W162-P346 HydrophobicContact CB-CG 3.64Å; W162-P346 HydrophobicContact CD2-CB 4.3Å; W162-P346 HydrophobicContact CD2-CG 3.88Å; W162-P346 HydrophobicContact CE3-CG 4.15Å; W162-P346 HydrophobicContact CG-CB 3.86Å; W162-P346 HydrophobicContact CG-CG 3.7Å
163	H	95.9	Very high	84.5	Confident	12 Å²	12	71.3 Å²	71.3	6%	0.056	35%	0.347	C	S	.	.			trans	-70.1	124.6	176.5	-65.6	-76.3	0	0	0	110.7	D161 Y165 R223 C227 L228 N343	D161-H163 WeakPolarHBondContact OD1-CB 3.3Å; D161-H163 IonicContact OD1-CD2 2.65Å; D161-H163 PolarHBondContact OD1-CD2 3.38Å; D161-H163 IonicContact OD1-CG 3.89Å; D161-H163 PolarHBondContact OD1-N 3.44Å; H163-Y165 VanDerWaalsContact C-N 3.31Å; H163-Y165 HydrophobicContact CB-CD1 4.22Å; H163-Y165 HydrophobicContact CB-CD2 4.2Å; H163-Y165 HydrophobicContact CB-CE1 3.77Å; H163-Y165 HydrophobicContact CB-CE2 3.75Å; H163-Y165 HydrophobicContact CB-CG 4.42Å; H163-Y165 PolarHBondContact CD2-OH 3.13Å; H163-Y165 WeakPolarHBondContact O-CD2 3.37Å; H163-Y165 PolarHBondContact O-N 3.02Å; H163-R223 PolarHBondContact CE1-NH1 3.49Å; H163-R223 PolarHBondContact CE1-NH2 3.21Å; H163-R223 PolarHBondContact ND1-NH2 2.99Å; H163-C227 PolarHBondContact CE1-O 2.91Å; H163-C227 PolarHBondContact NE2-O 2.79Å; H163-C227 VanDerWaalsContact NE2-O 3.14Å; H163-L228 WeakPolarHBondContact NE2-CA 3.49Å; H163-L228 PolarHBondContact NE2-O 3.38Å; H163-N343 PolarHBondContact CE1-ND2 3.21Å; H163-N343 WeakPolarHBondContact ND1-CB 3.08Å; H163-N343 PolarHBondContact ND1-ND2 2.85Å; H163-N343 PolarHBondContact NE2-ND2 2.89Å
164	D	95.4	Very high	86.7	Confident	80 Å²	80	73.6 Å²	73.6	43%	0.428	35%	0.352	S	S	.	.			trans	-81.1	78	168.9	-173.6	-11.2	0	0	0	110.4	W162 K166 R167 Q168	W162-D164 PolarHBondContact O-N 2.92Å; D164-K166 PolarHBondContact O-N 2.84Å; D164-K166 PolarHBondContact OD1-N 2.94Å; D164-R167 HydrophobicContact CB-CB 4.02Å; D164-R167 PolarHBondContact O-N 3.1Å; D164-R167 WeakPolarHBondContact OD1-CB 2.87Å; D164-R167 PolarHBondContact OD1-N 3.29Å; D164-R167 WeakPolarHBondContact OD2-CB 3.12Å; D164-Q168 WeakPolarHBondContact O-CG 2.99Å; D164-Q168 PolarHBondContact O-N 2.92Å
165	Y	95.2	Very high	88.8	Confident	111 Å²	111	72 Å²	72	44%	0.435	36%	0.362	S	S	.	.	H	α-helix	trans	-61.6	-29.5	-179.7	-64	-68.2	0	0	0	113.2	D161 H163 K169	D161-Y165 WeakPolarHBondContact OD2-CE2 3.26Å; D161-Y165 PolarHBondContact OD2-OH 3.03Å; H163-Y165 VanDerWaalsContact C-N 3.31Å; H163-Y165 HydrophobicContact CB-CD1 4.22Å; H163-Y165 HydrophobicContact CB-CD2 4.2Å; H163-Y165 HydrophobicContact CB-CE1 3.77Å; H163-Y165 HydrophobicContact CB-CE2 3.75Å; H163-Y165 HydrophobicContact CB-CG 4.42Å; H163-Y165 PolarHBondContact CD2-OH 3.13Å; H163-Y165 WeakPolarHBondContact O-CD2 3.37Å; H163-Y165 PolarHBondContact O-N 3.02Å; Y165-K169 VanDerWaalsContact O-CB 3.32Å; Y165-K169 WeakPolarHBondContact O-CB 3.36Å; Y165-K169 PolarHBondContact O-N 3.27Å
166	K	94.3	Very high	90.8	Very high	182 Å²	182	72.9 Å²	72.9	79%	0.791	38%	0.381	S	S	*	.	H	α-helix	trans	-66.4	-45.8	177.4	-177	-178.5	176.7	-177.2	0	110.1	D164 A170	D164-K166 PolarHBondContact O-N 2.84Å; D164-K166 PolarHBondContact OD1-N 2.94Å; K166-A170 WeakPolarHBondContact O-CB 3.47Å; K166-A170 PolarHBondContact O-N 3.3Å
167	R	93	Very high	92.1	Very high	93 Å²	93	74.5 Å²	74.5	35%	0.351	39%	0.386	S	S	.	.	H	α-helix	trans	-64.7	-45.4	174.6	-177.7	70.4	65.7	172	5.5	111.7	D164 K169 A170 D171	D164-R167 HydrophobicContact CB-CB 4.02Å; D164-R167 PolarHBondContact O-N 3.1Å; D164-R167 WeakPolarHBondContact OD1-CB 2.87Å; D164-R167 PolarHBondContact OD1-N 3.29Å; D164-R167 WeakPolarHBondContact OD2-CB 3.12Å; R167-K169 VanDerWaalsContact C-N 3.35Å; R167-K169 PolarHBondContact O-N 3.43Å; R167-A170 WeakPolarHBondContact O-CB 3.5Å; R167-A170 PolarHBondContact O-N 2.97Å; R167-A170 VanDerWaalsContact O-N 3.12Å; R167-D171 WeakPolarHBondContact O-CB 3.21Å; R167-D171 PolarHBondContact O-N 3.21Å
168	Q	93.9	Very high	93.5	Very high	23 Å²	23	73.2 Å²	73.2	11%	0.107	38%	0.38	C	S	.	.	H	α-helix	trans	-57.3	-48.3	178.9	-71.1	170.4	18.6	0	0	111.2	D164 A170 D171 E172 Y342	D164-Q168 WeakPolarHBondContact O-CG 2.99Å; D164-Q168 PolarHBondContact O-N 2.92Å; Q168-A170 VanDerWaalsContact C-N 3.32Å; Q168-A170 PolarHBondContact O-N 2.93Å; Q168-D171 PolarHBondContact O-N 2.75Å; Q168-E172 WeakPolarHBondContact O-CG 3.23Å; Q168-E172 PolarHBondContact O-N 3.12Å; Q168-Y342 HydrophobicContact CG-CD1 3.72Å; Q168-Y342 HydrophobicContact CG-CD2 4.47Å; Q168-Y342 HydrophobicContact CG-CE1 3.95Å; Q168-Y342 HydrophobicContact CG-CG 4.02Å
169	K	94.3	Very high	94.4	Very high	154 Å²	154	71.2 Å²	71.2	67%	0.67	37%	0.373	S	S	*	.	H	α-helix	trans	-62.6	-36.6	175.8	-174.1	176.1	-178.3	177.2	0	113.1	Y165 R167 A173	Y165-K169 VanDerWaalsContact O-CB 3.32Å; Y165-K169 WeakPolarHBondContact O-CB 3.36Å; Y165-K169 PolarHBondContact O-N 3.27Å; R167-K169 VanDerWaalsContact C-N 3.35Å; R167-K169 PolarHBondContact O-N 3.43Å; K169-A173 PolarHBondContact O-N 3.36Å
170	A	95	Very high	94.9	Very high	54 Å²	54	68.9 Å²	68.9	45%	0.446	36%	0.362	S	S	.	.	H	α-helix	trans	-67.3	-41.2	174.9	0	0	0	0	0	111.5	K166 R167 Q168 A173 R174	K166-A170 WeakPolarHBondContact O-CB 3.47Å; K166-A170 PolarHBondContact O-N 3.3Å; R167-A170 WeakPolarHBondContact O-CB 3.5Å; R167-A170 PolarHBondContact O-N 2.97Å; R167-A170 VanDerWaalsContact O-N 3.12Å; Q168-A170 VanDerWaalsContact C-N 3.32Å; Q168-A170 PolarHBondContact O-N 2.93Å; A170-A173 PolarHBondContact O-N 3.32Å; A170-R174 WeakPolarHBondContact O-CG 2.99Å; A170-R174 PolarHBondContact O-N 3.04Å
171	D	95	Very high	95.2	Very high	3 Å²	3	65.9 Å²	65.9	2%	0.016	35%	0.35	C	S	.	.	H	α-helix	trans	-65.8	-37.5	177.3	-87	-3.8	0	0	0	111.6	R167 Q168 A173 R174 H180 Y216 R263 Y342	R167-D171 WeakPolarHBondContact O-CB 3.21Å; R167-D171 PolarHBondContact O-N 3.21Å; Q168-D171 PolarHBondContact O-N 2.75Å; D171-A173 VanDerWaalsContact C-N 3.25Å; D171-A173 PolarHBondContact O-N 2.86Å; D171-R174 WeakPolarHBondContact O-CB 2.91Å; D171-R174 PolarHBondContact O-N 3.22Å; D171-R174 VanDerWaalsContact O-N 3.13Å; D171-R174 WeakPolarHBondContact OD1-CD 3.14Å; D171-R174 IonicContact OD1-NH1 3.69Å; D171-R174 PolarHBondContact OD1-NH1 2.04Å; D171-H180 PolarHBondContact O-CE1 3.46Å; D171-Y216 PolarHBondContact OD2-OH 3.01Å; D171-R263 IonicContact OD2-NH2 3.2Å; D171-Y342 WeakPolarHBondContact CB-OH 3.34Å; D171-Y342 PolarHBondContact OD2-OH 2.56Å
172	E	93.5	Very high	95.3	Very high	143 Å²	143	68.1 Å²	68.1	67%	0.668	36%	0.358	S	S	*	.	H	α-helix	trans	-57.8	-35.1	172	-76.7	175.1	179.4	0	0	112.9	Q168 R174 H180	Q168-E172 WeakPolarHBondContact O-CG 3.23Å; Q168-E172 PolarHBondContact O-N 3.12Å; E172-R174 VanDerWaalsContact C-N 3.31Å; E172-R174 PolarHBondContact O-N 2.62Å; E172-H180 PolarHBondContact O-CE1 3.01Å
173	A	95.1	Very high	95.3	Very high	84 Å²	84	70.5 Å²	70.5	69%	0.694	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.5	-9.5	179.9	0	0	0	0	0	113.7	K169 A170 D171	K169-A173 PolarHBondContact O-N 3.36Å; A170-A173 PolarHBondContact O-N 3.32Å; D171-A173 VanDerWaalsContact C-N 3.25Å; D171-A173 PolarHBondContact O-N 2.86Å
174	R	95.6	Very high	95.3	Very high	63 Å²	63	72.1 Å²	72.1	24%	0.238	38%	0.381	C	S	.	.			trans	-72	146.9	-178.8	-67.7	174.7	63.9	168.5	3.5	111.2	A170 D171 E172 E179 H180 Y216	A170-R174 WeakPolarHBondContact O-CG 2.99Å; A170-R174 PolarHBondContact O-N 3.04Å; D171-R174 WeakPolarHBondContact O-CB 2.91Å; D171-R174 PolarHBondContact O-N 3.22Å; D171-R174 VanDerWaalsContact O-N 3.13Å; D171-R174 WeakPolarHBondContact OD1-CD 3.14Å; D171-R174 IonicContact OD1-NH1 3.69Å; D171-R174 PolarHBondContact OD1-NH1 2.04Å; E172-R174 VanDerWaalsContact C-N 3.31Å; E172-R174 PolarHBondContact O-N 2.62Å; R174-E179 HydrophobicContact CB-CG 4.4Å; R174-E179 IonicContact CZ-OE1 3.12Å; R174-E179 IonicContact CZ-OE2 2.85Å; R174-E179 VanDerWaalsContact CZ-OE2 3.3Å; R174-E179 IonicContact NE-OE1 3.39Å; R174-E179 PolarHBondContact NE-OE1 3.27Å; R174-E179 IonicContact NE-OE2 2.66Å; R174-E179 PolarHBondContact NE-OE2 2.92Å; R174-E179 IonicContact NH2-OE1 3.8Å; R174-E179 PolarHBondContact NH2-OE1 3.28Å; R174-E179 IonicContact NH2-OE2 3.74Å; R174-E179 PolarHBondContact NH2-OE2 3.19Å; R174-H180 PolarHBondContact O-NE2 3.46Å; R174-Y216 PolarHBondContact NH2-O 3.27Å
175	S	95.6	Very high	95.4	Very high	109 Å²	109	73.9 Å²	73.9	76%	0.762	39%	0.389	S	S	*	.			trans	-140.4	149.3	174.5	60.5	0	0	0	0	109.6
176	G	95.6	Very high	95.4	Very high	56 Å²	56	70.3 Å²	70.3	58%	0.577	38%	0.378	S	S	*	.	S	Bend	trans	143.9	177.4	-173.8	0	0	0	0	0	112
177	I	95.3	Very high	95.4	Very high	72 Å²	72	64.2 Å²	64.2	37%	0.369	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.8	133	178.2	57.4	176.3	0	0	0	110.7	E179 Y184 L212 L213 P214	I177-E179 PolarHBondContact O-N 3.41Å; I177-E179 VanDerWaalsContact O-N 3.15Å; I177-Y184 HydrophobicContact CB-CD2 3.89Å; I177-Y184 HydrophobicContact CB-CE2 4.3Å; I177-Y184 HydrophobicContact CG2-CD2 3.66Å; I177-Y184 HydrophobicContact CG2-CE2 3.68Å; I177-L212 HydrophobicContact CD1-CB 4.3Å; I177-L212 WeakPolarHBondContact CD1-O 3.33Å; I177-L213 HydrophobicContact CB-CD2 4.04Å; I177-L213 HydrophobicContact CD1-CD2 4.32Å; I177-L213 HydrophobicContact CG1-CD2 4Å; I177-P214 WeakPolarHBondContact O-CD 3.13Å
178	G	95.3	Very high	95.5	Very high	3 Å²	3	67.8 Å²	67.8	3%	0.031	38%	0.379	C	S	.	.	T	Hydrogen-bonded Turn	trans	74.7	-11	179	0	0	0	0	0	116.3	G181 H182 R217	G178-G181 PolarHBondContact O-N 3.46Å; G178-H182 WeakPolarHBondContact CA-O 3.33Å; G178-R217 VanDerWaalsContact O-CD 3.3Å; G178-R217 WeakPolarHBondContact O-CD 3.09Å; G178-R217 PolarHBondContact O-NH1 2.88Å
179	E	97.2	Very high	95.4	Very high	11 Å²	11	74.6 Å²	74.6	5%	0.051	41%	0.41	C	S	.	.	G	3₁₀ helix	trans	-56	149.3	174.9	-61.7	-67.5	173.7	0	0	110.5	R174 I177 G181 H182 S218	R174-E179 HydrophobicContact CB-CG 4.4Å; R174-E179 IonicContact CZ-OE1 3.12Å; R174-E179 IonicContact CZ-OE2 2.85Å; R174-E179 VanDerWaalsContact CZ-OE2 3.3Å; R174-E179 IonicContact NE-OE1 3.39Å; R174-E179 PolarHBondContact NE-OE1 3.27Å; R174-E179 IonicContact NE-OE2 2.66Å; R174-E179 PolarHBondContact NE-OE2 2.92Å; R174-E179 IonicContact NH2-OE1 3.8Å; R174-E179 PolarHBondContact NH2-OE1 3.28Å; R174-E179 IonicContact NH2-OE2 3.74Å; R174-E179 PolarHBondContact NH2-OE2 3.19Å; I177-E179 PolarHBondContact O-N 3.41Å; I177-E179 VanDerWaalsContact O-N 3.15Å; E179-G181 PolarHBondContact O-N 3.04Å; E179-H182 WeakPolarHBondContact O-CB 3.19Å; E179-H182 PolarHBondContact O-CD2 3.47Å; E179-H182 PolarHBondContact O-N 3.24Å; E179-H182 VanDerWaalsContact O-N 3.12Å; E179-S218 WeakPolarHBondContact OE2-CB 3.47Å; E179-S218 PolarHBondContact OE2-N 3.1Å; E179-S218 PolarHBondContact OE2-OG 2.96Å
180	H	96.3	Very high	95.4	Very high	47 Å²	47	69 Å²	69	22%	0.218	39%	0.387	C	S	.	.	G	3₁₀ helix	trans	61.6	21.5	-174.4	-49.3	-69.5	0	0	0	114.1	D171 E172 R174 H182 S218 N220	D171-H180 PolarHBondContact O-CE1 3.46Å; E172-H180 PolarHBondContact O-CE1 3.01Å; R174-H180 PolarHBondContact O-NE2 3.46Å; H180-H182 PolarHBondContact O-N 3.38Å; H180-S218 PolarHBondContact N-O 3.38Å; H180-S218 PolarHBondContact N-OG 3.47Å; H180-S218 PolarHBondContact ND1-OG 2.84Å; H180-N220 WeakPolarHBondContact O-CB 3.44Å; H180-N220 PolarHBondContact O-N 2.85Å
181	G	95.5	Very high	95.4	Very high	3 Å²	3	68.9 Å²	68.9	3%	0.031	39%	0.386	C	S	.	.	G	3₁₀ helix	trans	66.2	18.7	-173.5	0	0	0	0	0	113.4	G178 E179 S218 A373 I374	G178-G181 PolarHBondContact O-N 3.46Å; E179-G181 PolarHBondContact O-N 3.04Å; G181-S218 PolarHBondContact N-O 2.72Å; G181-S218 VanDerWaalsContact N-O 3.15Å; G181-A373 CarbonylContact O-C 3.58Å; G181-A373 VanDerWaalsContact O-CA 3.28Å; G181-A373 WeakPolarHBondContact O-CA 3.35Å; G181-I374 PolarHBondContact O-N 3.49Å
182	H	97	Very high	95.3	Very high	113 Å²	113	75 Å²	75	52%	0.523	42%	0.419	S	S	.	.			trans	-70.6	152	179.9	-74	-31.2	0	0	0	112.8	G178 E179 H180	G178-H182 WeakPolarHBondContact CA-O 3.33Å; E179-H182 WeakPolarHBondContact O-CB 3.19Å; E179-H182 PolarHBondContact O-CD2 3.47Å; E179-H182 PolarHBondContact O-N 3.24Å; E179-H182 VanDerWaalsContact O-N 3.12Å; H180-H182 PolarHBondContact O-N 3.38Å
183	P	96.7	Very high	95.4	Very high	64 Å²	64	71.7 Å²	71.7	42%	0.416	41%	0.405	S	S	.	.			trans	-65	144.3	175.5	24.6	-32.1	0	0	0	111.4	I185 T371 A373	P183-I185 HydrophobicContact CB-CD1 3.91Å; P183-T371 HydrophobicContact CB-CG2 4.35Å; P183-A373 HydrophobicContact CB-CB 3.92Å; P183-A373 HydrophobicContact CG-CB 4.4Å
184	Y	96.8	Very high	95.4	Very high	47 Å²	47	73 Å²	73	18%	0.184	41%	0.407	C	S	.	.			trans	-104	114.3	158.1	-177	-111.6	0	0	0	109.8	I177 L186 Q190 V209 L212 L213 T371	I177-Y184 HydrophobicContact CB-CD2 3.89Å; I177-Y184 HydrophobicContact CB-CE2 4.3Å; I177-Y184 HydrophobicContact CG2-CD2 3.66Å; I177-Y184 HydrophobicContact CG2-CE2 3.68Å; Y184-L186 HydrophobicContact CD1-CD2 4.09Å; Y184-L186 HydrophobicContact CE1-CD2 3.68Å; Y184-Q190 PolarHBondContact OH-NE2 3.49Å; Y184-Q190 PolarHBondContact OH-OE1 2.82Å; Y184-V209 HydrophobicContact CD1-CG1 4.24Å; Y184-V209 HydrophobicContact CD1-CG2 4.28Å; Y184-L212 HydrophobicContact CD1-CD1 4.29Å; Y184-L212 HydrophobicContact CE1-CB 4.5Å; Y184-L212 HydrophobicContact CE1-CD1 3.48Å; Y184-L212 VanDerWaalsContact CE1-CD1 3.48Å; Y184-L213 HydrophobicContact CG-CD2 4.5Å; Y184-T371 PolarHBondContact N-O 2.05Å
185	I	96.4	Very high	95.4	Very high	116 Å²	116	74 Å²	74	60%	0.595	42%	0.416	S	S	*	.	P	Polyproline II helix	trans	-94.3	119.8	179	-50.7	-55.3	0	0	0	108.5	P183 T371	P183-I185 HydrophobicContact CB-CD1 3.91Å; I185-T371 HydrophobicContact CD1-CG2 3.41Å; I185-T371 VanDerWaalsContact CD1-CG2 3.41Å
186	L	95.2	Very high	95.4	Very high	37 Å²	37	69.7 Å²	69.7	19%	0.194	39%	0.385	C	S	.	.	P	Polyproline II helix	trans	-63.1	138.2	175.6	-63.3	-178.9	0	0	0	110.6	Y184 Q190 A191 V196 Y208 V209 L212	Y184-L186 HydrophobicContact CD1-CD2 4.09Å; Y184-L186 HydrophobicContact CE1-CD2 3.68Å; L186-Q190 HydrophobicContact CB-CB 4.1Å; L186-Q190 HydrophobicContact CD2-CB 4.13Å; L186-A191 HydrophobicContact CB-CB 4.3Å; L186-V196 HydrophobicContact CD1-CG1 4.02Å; L186-V196 HydrophobicContact CD1-CG2 4.16Å; L186-Y208 HydrophobicContact CD1-CD1 4.3Å; L186-Y208 HydrophobicContact CD2-CD1 3.86Å; L186-Y208 HydrophobicContact CD2-CE1 3.89Å; L186-V209 HydrophobicContact CD1-CG2 4.11Å; L186-V209 HydrophobicContact CD2-CG2 3.72Å; L186-V209 HydrophobicContact CG-CG2 3.85Å; L186-L212 HydrophobicContact CD2-CD1 4.39Å
187	S	95.7	Very high	95.2	Very high	54 Å²	54	70.7 Å²	70.7	38%	0.378	38%	0.377	S	S	.	.	P	Polyproline II helix	trans	-65.8	159	167.6	73.2	0	0	0	0	110.6	Q189 Q190 A191	S187-Q189 PolarHBondContact O-N 2.85Å; S187-Q189 VanDerWaalsContact O-N 3.16Å; S187-Q190 PolarHBondContact O-N 2.94Å; S187-Q190 WeakPolarHBondContact OG-CG 3.23Å; S187-Q190 PolarHBondContact OG-N 3.41Å; S187-Q190 PolarHBondContact OG-OE1 3.45Å; S187-A191 WeakPolarHBondContact O-CB 3.45Å; S187-A191 PolarHBondContact O-N 3.19Å
188	E	93.6	Very high	95.2	Very high	168 Å²	168	72.7 Å²	72.7	79%	0.785	38%	0.383	S	S	*	.	H	α-helix	trans	-55.4	-35.2	176.4	-68.9	-173.6	168.8	0	0	112.4	N192	E188-N192 PolarHBondContact O-N 3.28Å; E188-N192 PolarHBondContact O-ND2 3.49Å
189	Q	93.7	Very high	95.2	Very high	165 Å²	165	73.3 Å²	73.3	77%	0.771	39%	0.385	S	S	*	.	H	α-helix	trans	-66.1	-44.1	176.4	-67.3	178.6	0.9	0	0	111.8	S187	S187-Q189 PolarHBondContact O-N 2.85Å; S187-Q189 VanDerWaalsContact O-N 3.16Å
190	Q	94.4	Very high	95	Very high	38 Å²	38	73.6 Å²	73.6	18%	0.178	39%	0.386	C	S	.	.	H	α-helix	trans	-67.4	-43.7	177	-70.7	170.8	-46.6	0	0	111.6	Y184 L186 S187 N192 L193 V196 Y208	Y184-Q190 PolarHBondContact OH-NE2 3.49Å; Y184-Q190 PolarHBondContact OH-OE1 2.82Å; L186-Q190 HydrophobicContact CB-CB 4.1Å; L186-Q190 HydrophobicContact CD2-CB 4.13Å; S187-Q190 PolarHBondContact O-N 2.94Å; S187-Q190 WeakPolarHBondContact OG-CG 3.23Å; S187-Q190 PolarHBondContact OG-N 3.41Å; S187-Q190 PolarHBondContact OG-OE1 3.45Å; Q190-N192 PolarHBondContact O-N 2.03Å; Q190-L193 WeakPolarHBondContact O-CB 3.38Å; Q190-L193 WeakPolarHBondContact O-CG 3.26Å; Q190-L193 PolarHBondContact O-N 3.12Å; Q190-V196 WeakPolarHBondContact O-CG2 3.28Å; Q190-Y208 HydrophobicContact CB-CE1 4.47Å
191	A	93.1	Very high	94.8	Very high	51 Å²	51	77.8 Å²	77.8	42%	0.421	40%	0.4	S	S	.	.	H	α-helix	trans	-60.9	-27	-177.3	0	0	0	0	0	113.1	L186 S187	L186-A191 HydrophobicContact CB-CB 4.3Å; S187-A191 WeakPolarHBondContact O-CB 3.45Å; S187-A191 PolarHBondContact O-N 3.19Å
192	N	93.4	Very high	94.7	Very high	132 Å²	132	81.9 Å²	81.9	71%	0.706	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.9	-0.2	178.4	-72.3	-46.9	0	0	0	114.2	E188 Q190	E188-N192 PolarHBondContact O-N 3.28Å; E188-N192 PolarHBondContact O-ND2 3.49Å; Q190-N192 PolarHBondContact O-N 2.03Å
193	L	95.6	Very high	94.5	Very high	73 Å²	73	76.5 Å²	76.5	38%	0.382	39%	0.394	S	S	.	.			trans	-69.3	131.4	177.5	-67.3	172.8	0	0	0	110.6	Q190 L195 V196 Y208	Q190-L193 WeakPolarHBondContact O-CB 3.38Å; Q190-L193 WeakPolarHBondContact O-CG 3.26Å; Q190-L193 PolarHBondContact O-N 3.12Å; L193-L195 PolarHBondContact O-N 3.44Å; L193-V196 HydrophobicContact CB-CG2 4.19Å; L193-V196 WeakPolarHBondContact O-CB 3.47Å; L193-V196 PolarHBondContact O-N 2.98Å; L193-Y208 HydrophobicContact CD1-CE2 4.36Å
194	P	95.2	Very high	94.4	Very high	112 Å²	112	73.5 Å²	73.5	73%	0.727	37%	0.374	S	S	*	.	H	α-helix	trans	-56.2	-29	177.4	-27.2	34.7	0	0	0	114	V196 D197 K198	P194-V196 VanDerWaalsContact C-N 3.29Å; P194-V196 PolarHBondContact O-N 3.41Å; P194-D197 PolarHBondContact O-N 3.02Å; P194-K198 WeakPolarHBondContact O-CB 3.4Å; P194-K198 PolarHBondContact O-N 3.47Å
195	L	96.1	Very high	94.3	Very high	84 Å²	84	71.2 Å²	71.2	44%	0.44	37%	0.365	S	S	.	.	H	α-helix	trans	-62.8	-34.4	177.3	-176.7	62.1	0	0	0	112.5	L193 K198 L199 Y208	L193-L195 PolarHBondContact O-N 3.44Å; L195-K198 PolarHBondContact O-N 3.04Å; L195-L199 HydrophobicContact CD1-CD1 3.99Å; L195-L199 HydrophobicContact CD1-CG 3.96Å; L195-L199 HydrophobicContact CG-CD1 3.97Å; L195-L199 HydrophobicContact CG-CG 4.32Å; L195-L199 WeakPolarHBondContact O-CB 3.23Å; L195-L199 WeakPolarHBondContact O-CG 3.45Å; L195-L199 PolarHBondContact O-N 2.96Å; L195-Y208 HydrophobicContact CD2-CD2 3.93Å; L195-Y208 HydrophobicContact CD2-CE2 4.04Å; L195-Y208 HydrophobicContact CG-CD2 4.19Å
196	V	95	Very high	94.3	Very high	17 Å²	17	65.9 Å²	65.9	10%	0.103	34%	0.338	C	S	.	.	H	α-helix	trans	-63.6	-51.3	179.1	173.9	0	0	0	0	110.2	L186 Q190 L193 P194 K198 L199 Y200 Y208	L186-V196 HydrophobicContact CD1-CG1 4.02Å; L186-V196 HydrophobicContact CD1-CG2 4.16Å; Q190-V196 WeakPolarHBondContact O-CG2 3.28Å; L193-V196 HydrophobicContact CB-CG2 4.19Å; L193-V196 WeakPolarHBondContact O-CB 3.47Å; L193-V196 PolarHBondContact O-N 2.98Å; P194-V196 VanDerWaalsContact C-N 3.29Å; P194-V196 PolarHBondContact O-N 3.41Å; V196-K198 PolarHBondContact O-N 3.2Å; V196-L199 PolarHBondContact O-N 2.95Å; V196-Y200 WeakPolarHBondContact O-CB 3.27Å; V196-Y200 PolarHBondContact O-N 2.85Å; V196-Y208 HydrophobicContact CG2-CD1 3.72Å; V196-Y208 HydrophobicContact CG2-CD2 4.11Å; V196-Y208 HydrophobicContact CG2-CE1 4.17Å; V196-Y208 HydrophobicContact CG2-CG 3.68Å
197	D	92.3	Very high	94.4	Very high	77 Å²	77	64.1 Å²	64.1	41%	0.412	33%	0.329	S	S	.	.	H	α-helix	trans	-63.9	-41.5	178.5	-175	63	0	0	0	111.7	P194 Y200 R201	P194-D197 PolarHBondContact O-N 3.02Å; D197-Y200 PolarHBondContact O-N 2.91Å; D197-R201 WeakPolarHBondContact O-CG 3.31Å; D197-R201 PolarHBondContact O-N 3.32Å; D197-R201 IonicContact OD1-CZ 3.37Å; D197-R201 IonicContact OD1-NE 2.72Å; D197-R201 PolarHBondContact OD1-NE 2.95Å; D197-R201 IonicContact OD1-NH2 2.73Å; D197-R201 PolarHBondContact OD1-NH2 3.42Å; D197-R201 IonicContact OD2-CZ 3.67Å; D197-R201 IonicContact OD2-NE 3.73Å; D197-R201 PolarHBondContact OD2-NE 3.07Å; D197-R201 IonicContact OD2-NH2 3.95Å; D197-R201 PolarHBondContact OD2-NH2 3.33Å; D197-R201 VanDerWaalsContact OD2-NH2 3.12Å
198	K	94.6	Very high	94.5	Very high	114 Å²	114	63.4 Å²	63.4	50%	0.496	32%	0.318	S	S	.	.	H	α-helix	trans	-56.4	-57	176.2	-178.8	-171.4	169.1	-170.9	0	111.5	P194 L195 V196 Y200 R201 E202	P194-K198 WeakPolarHBondContact O-CB 3.4Å; P194-K198 PolarHBondContact O-N 3.47Å; L195-K198 PolarHBondContact O-N 3.04Å; V196-K198 PolarHBondContact O-N 3.2Å; K198-Y200 PolarHBondContact O-N 3.06Å; K198-R201 PolarHBondContact O-N 3.02Å; K198-E202 WeakPolarHBondContact CE-OE1 3.48Å; K198-E202 IonicContact NZ-OE1 3.53Å; K198-E202 WeakPolarHBondContact O-CG 3.35Å; K198-E202 PolarHBondContact O-N 3.49Å
199	L	95.1	Very high	94.7	Very high	16 Å²	16	55.4 Å²	55.4	8%	0.084	28%	0.281	C	S	.	.	H	α-helix	trans	-63.7	-32.4	-178.7	-70	177.6	0	0	0	111.6	L195 V196 N203	L195-L199 HydrophobicContact CD1-CD1 3.99Å; L195-L199 HydrophobicContact CD1-CG 3.96Å; L195-L199 HydrophobicContact CG-CD1 3.97Å; L195-L199 HydrophobicContact CG-CG 4.32Å; L195-L199 WeakPolarHBondContact O-CB 3.23Å; L195-L199 WeakPolarHBondContact O-CG 3.45Å; L195-L199 PolarHBondContact O-N 2.96Å; V196-L199 PolarHBondContact O-N 2.95Å; L199-N203 WeakPolarHBondContact O-CB 3.41Å; L199-N203 PolarHBondContact O-N 3.24Å; L199-N203 VanDerWaalsContact O-N 3.14Å; L199-N203 PolarHBondContact O-ND2 2.86Å
200	Y	94.3	Very high	94.9	Very high	17 Å²	17	47.5 Å²	47.5	7%	0.067	24%	0.244	C	C	.	.	H	α-helix	trans	-68.1	-43	176	-154.2	-71.1	0	0	0	112.3	V196 D197 K198 E202 N203 G204 Y205 D370 C470 K471 H472	V196-Y200 WeakPolarHBondContact O-CB 3.27Å; V196-Y200 PolarHBondContact O-N 2.85Å; D197-Y200 PolarHBondContact O-N 2.91Å; K198-Y200 PolarHBondContact O-N 3.06Å; Y200-E202 VanDerWaalsContact C-N 3.33Å; Y200-E202 PolarHBondContact O-N 3.31Å; Y200-N203 PolarHBondContact O-N 2.94Å; Y200-G204 VanDerWaalsContact O-CA 3.32Å; Y200-G204 WeakPolarHBondContact O-CA 3.35Å; Y200-G204 PolarHBondContact O-N 3.11Å; Y200-Y205 WeakPolarHBondContact CA-O 3.5Å; Y200-D370 WeakPolarHBondContact CE2-OD1 3.39Å; Y200-D370 PolarHBondContact OH-OD1 2.88Å; Y200-C470 WeakPolarHBondContact OH-CB 3.19Å; Y200-K471 HydrophobicContact CE1-CB 3.81Å; Y200-K471 HydrophobicContact CE1-CD 4.06Å; Y200-K471 HydrophobicContact CE1-CG 4.19Å; Y200-H472 AromaticContact CD1-CD2 3.94Å
201	R	92	Very high	95	Very high	136 Å²	136	49.7 Å²	49.7	51%	0.513	26%	0.257	S	S	.	.	H	α-helix	trans	-65.3	-37.3	176.8	-72.5	179.5	-165.2	-93.9	-8.4	112.5	D197 K198	D197-R201 WeakPolarHBondContact O-CG 3.31Å; D197-R201 PolarHBondContact O-N 3.32Å; D197-R201 IonicContact OD1-CZ 3.37Å; D197-R201 IonicContact OD1-NE 2.72Å; D197-R201 PolarHBondContact OD1-NE 2.95Å; D197-R201 IonicContact OD1-NH2 2.73Å; D197-R201 PolarHBondContact OD1-NH2 3.42Å; D197-R201 IonicContact OD2-CZ 3.67Å; D197-R201 IonicContact OD2-NE 3.73Å; D197-R201 PolarHBondContact OD2-NE 3.07Å; D197-R201 IonicContact OD2-NH2 3.95Å; D197-R201 PolarHBondContact OD2-NH2 3.33Å; D197-R201 VanDerWaalsContact OD2-NH2 3.12Å; K198-R201 PolarHBondContact O-N 3.02Å
202	E	92	Very high	95.2	Very high	88 Å²	88	50.2 Å²	50.2	41%	0.411	25%	0.252	S	S	.	.	H	α-helix	trans	-69.3	-34.4	179.4	-73.1	173.2	177.1	0	0	112.5	K198 Y200 P474	K198-E202 WeakPolarHBondContact CE-OE1 3.48Å; K198-E202 IonicContact NZ-OE1 3.53Å; K198-E202 WeakPolarHBondContact O-CG 3.35Å; K198-E202 PolarHBondContact O-N 3.49Å; Y200-E202 VanDerWaalsContact C-N 3.33Å; Y200-E202 PolarHBondContact O-N 3.31Å; E202-P474 WeakPolarHBondContact O-CG 3.43Å
203	N	93.5	Very high	95.4	Very high	1 Å²	1	44.2 Å²	44.2	1%	0.005	22%	0.22	C	C	.	.	H	α-helix	trans	-113	-21.2	-170.4	-59.2	-55	0	0	0	114.4	L199 Y200 Y205 H249 K281 R469	L199-N203 WeakPolarHBondContact O-CB 3.41Å; L199-N203 PolarHBondContact O-N 3.24Å; L199-N203 VanDerWaalsContact O-N 3.14Å; L199-N203 PolarHBondContact O-ND2 2.86Å; Y200-N203 PolarHBondContact O-N 2.94Å; N203-Y205 HydrophobicContact CB-CD1 4.41Å; N203-Y205 HydrophobicContact CB-CD2 4Å; N203-Y205 HydrophobicContact CB-CE1 4.12Å; N203-Y205 HydrophobicContact CB-CE2 3.63Å; N203-Y205 HydrophobicContact CB-CG 4.34Å; N203-Y205 WeakPolarHBondContact O-CD1 3.46Å; N203-Y205 PolarHBondContact O-N 2.77Å; N203-H249 PolarHBondContact ND2-ND1 2.99Å; N203-K281 PolarHBondContact OD1-NZ 2.95Å; N203-R469 VanDerWaalsContact O-CZ 3.26Å; N203-R469 PolarHBondContact O-NH1 3.48Å
204	G	93.8	Very high	95.4	Very high	0 Å²	0	43 Å²	43	0%	0	22%	0.216	C	C	.	.	S	Bend	trans	77.4	6.1	-174.2	0	0	0	0	0	115.3	Y200 R469 C470 H472	Y200-G204 VanDerWaalsContact O-CA 3.32Å; Y200-G204 WeakPolarHBondContact O-CA 3.35Å; Y200-G204 PolarHBondContact O-N 3.11Å; G204-R469 WeakPolarHBondContact O-CA 3.26Å; G204-C470 PolarHBondContact O-N 3.24Å; G204-H472 WeakPolarHBondContact CA-O 3.14Å
205	Y	95.7	Very high	95.5	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	19%	0.194	C	C	.	.	S	Bend	trans	-151	170	174.8	56.2	-110	0	0	0	108.5	Y200 N203 G207 E248 H249 V252 C369 F372 I467 R469	Y200-Y205 WeakPolarHBondContact CA-O 3.5Å; N203-Y205 HydrophobicContact CB-CD1 4.41Å; N203-Y205 HydrophobicContact CB-CD2 4Å; N203-Y205 HydrophobicContact CB-CE1 4.12Å; N203-Y205 HydrophobicContact CB-CE2 3.63Å; N203-Y205 HydrophobicContact CB-CG 4.34Å; N203-Y205 WeakPolarHBondContact O-CD1 3.46Å; N203-Y205 PolarHBondContact O-N 2.77Å; Y205-G207 PolarHBondContact O-N 3.3Å; Y205-E248 PolarHBondContact OH-OE1 3.34Å; Y205-H249 HydrophobicContact CE2-CB 4.16Å; Y205-H249 VanDerWaalsContact OH-CB 3.32Å; Y205-H249 WeakPolarHBondContact OH-CB 3.31Å; Y205-V252 HydrophobicContact CE2-CG2 3.67Å; Y205-C369 CarbonylContact C-O 3.47Å; Y205-C369 WeakPolarHBondContact CA-O 3.33Å; Y205-C369 WeakPolarHBondContact CB-O 3.45Å; Y205-F372 HydrophobicContact CD2-CE2 4.49Å; Y205-F372 HydrophobicContact CD2-CZ 4.22Å; Y205-I467 HydrophobicContact CD1-CB 4.49Å; Y205-I467 HydrophobicContact CD1-CG2 3.62Å; Y205-I467 HydrophobicContact CE1-CG2 4.42Å; Y205-I467 HydrophobicContact CG-CG2 3.77Å; Y205-R469 HydrophobicContact CD1-CG 4.11Å
206	S	96.4	Very high	95.5	Very high	4 Å²	4	37.4 Å²	37.4	3%	0.028	18%	0.179	C	C	.	.			trans	-75.5	85.4	-175.6	-170.4	0	0	0	0	113.1	Y208 V209 S210 C369 D370 F372	S206-Y208 PolarHBondContact O-N 3.33Å; S206-V209 PolarHBondContact O-N 2.94Å; S206-V209 WeakPolarHBondContact OG-CB 3.36Å; S206-V209 WeakPolarHBondContact OG-CG2 3.48Å; S206-V209 PolarHBondContact OG-N 2.65Å; S206-S210 PolarHBondContact O-N 3.02Å; S206-S210 VanDerWaalsContact O-N 3.15Å; S206-C369 WeakPolarHBondContact CB-O 3.41Å; S206-C369 PolarHBondContact N-O 3.16Å; S206-D370 WeakPolarHBondContact CB-O 3.46Å; S206-F372 WeakPolarHBondContact O-CE2 3.21Å
207	G	96.4	Very high	95.5	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-56	-36	171.4	0	0	0	0	0	112.3	Y205 V209 S210 D211 H249	Y205-G207 PolarHBondContact O-N 3.3Å; G207-V209 PolarHBondContact O-N 2.8Å; G207-S210 WeakPolarHBondContact O-CB 3.23Å; G207-S210 PolarHBondContact O-N 3.49Å; G207-S210 VanDerWaalsContact O-N 3.16Å; G207-D211 VanDerWaalsContact O-CG 3.22Å; G207-D211 PolarHBondContact O-N 3.2Å; G207-H249 PolarHBondContact O-NE2 3.11Å
208	Y	97.6	Very high	95.7	Very high	38 Å²	38	33 Å²	33	15%	0.149	15%	0.154	C	C	.	.	H	α-helix	trans	-61.6	-44.3	177.3	-173.2	-95.1	0	0	0	113	L186 Q190 L193 L195 V196 S206 S210 D211 L212	L186-Y208 HydrophobicContact CD1-CD1 4.3Å; L186-Y208 HydrophobicContact CD2-CD1 3.86Å; L186-Y208 HydrophobicContact CD2-CE1 3.89Å; Q190-Y208 HydrophobicContact CB-CE1 4.47Å; L193-Y208 HydrophobicContact CD1-CE2 4.36Å; L195-Y208 HydrophobicContact CD2-CD2 3.93Å; L195-Y208 HydrophobicContact CD2-CE2 4.04Å; L195-Y208 HydrophobicContact CG-CD2 4.19Å; V196-Y208 HydrophobicContact CG2-CD1 3.72Å; V196-Y208 HydrophobicContact CG2-CD2 4.11Å; V196-Y208 HydrophobicContact CG2-CE1 4.17Å; V196-Y208 HydrophobicContact CG2-CG 3.68Å; S206-Y208 PolarHBondContact O-N 3.33Å; Y208-S210 VanDerWaalsContact C-N 3.32Å; Y208-D211 PolarHBondContact O-N 2.88Å; Y208-L212 HydrophobicContact CD1-CD1 3.96Å; Y208-L212 HydrophobicContact CE1-CD1 3.48Å; Y208-L212 VanDerWaalsContact CE1-CD1 3.48Å; Y208-L212 HydrophobicContact CE1-CG 4.28Å; Y208-L212 WeakPolarHBondContact O-CG 3.2Å; Y208-L212 PolarHBondContact O-N 3.37Å
209	V	97.8	Very high	95.6	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-64.8	-41.4	175	168.9	0	0	0	0	109.9	Y184 L186 S206 G207 D211 L212 L213 F372	Y184-V209 HydrophobicContact CD1-CG1 4.24Å; Y184-V209 HydrophobicContact CD1-CG2 4.28Å; L186-V209 HydrophobicContact CD1-CG2 4.11Å; L186-V209 HydrophobicContact CD2-CG2 3.72Å; L186-V209 HydrophobicContact CG-CG2 3.85Å; S206-V209 PolarHBondContact O-N 2.94Å; S206-V209 WeakPolarHBondContact OG-CB 3.36Å; S206-V209 WeakPolarHBondContact OG-CG2 3.48Å; S206-V209 PolarHBondContact OG-N 2.65Å; G207-V209 PolarHBondContact O-N 2.8Å; V209-D211 VanDerWaalsContact C-N 3.28Å; V209-D211 PolarHBondContact O-N 2.79Å; V209-L212 PolarHBondContact O-N 3.3Å; V209-L212 VanDerWaalsContact O-N 3.15Å; V209-L213 HydrophobicContact CG1-CD1 4.16Å; V209-L213 HydrophobicContact CG1-CG 4.3Å; V209-L213 WeakPolarHBondContact O-CG 3.38Å; V209-L213 PolarHBondContact O-N 3.08Å; V209-L213 VanDerWaalsContact O-N 3.16Å; V209-F372 HydrophobicContact CB-CD2 4.17Å; V209-F372 HydrophobicContact CG1-CB 4.23Å; V209-F372 HydrophobicContact CG1-CD2 3.77Å; V209-F372 HydrophobicContact CG1-CG 4.24Å
210	S	97.8	Very high	95.4	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-58.9	-39.3	176.7	-148.1	0	0	0	0	113.1	S206 G207 Y208 L212 L213 S251 V252 R255 F372	S206-S210 PolarHBondContact O-N 3.02Å; S206-S210 VanDerWaalsContact O-N 3.15Å; G207-S210 WeakPolarHBondContact O-CB 3.23Å; G207-S210 PolarHBondContact O-N 3.49Å; G207-S210 VanDerWaalsContact O-N 3.16Å; Y208-S210 VanDerWaalsContact C-N 3.32Å; S210-L212 VanDerWaalsContact C-N 3.29Å; S210-L212 PolarHBondContact O-N 2.92Å; S210-L213 PolarHBondContact O-N 3.18Å; S210-S251 WeakPolarHBondContact CB-OG 3.4Å; S210-V252 WeakPolarHBondContact OG-CG2 3.42Å; S210-R255 PolarHBondContact O-NH2 2.63Å; S210-R255 PolarHBondContact OG-NE 2.86Å; S210-F372 VanDerWaalsContact CB-CZ 3.43Å; S210-F372 WeakPolarHBondContact OG-CE1 3.18Å; S210-F372 WeakPolarHBondContact OG-CZ 3.47Å
211	D	97.7	Very high	95.4	Very high	83 Å²	83	32.2 Å²	32.2	44%	0.444	16%	0.157	S	C	.	.	H	α-helix	trans	-68.6	-27.5	179.2	-65.8	-22.8	0	0	0	113	G207 Y208 V209 H249 S251	G207-D211 VanDerWaalsContact O-CG 3.22Å; G207-D211 PolarHBondContact O-N 3.2Å; Y208-D211 PolarHBondContact O-N 2.88Å; V209-D211 VanDerWaalsContact C-N 3.28Å; V209-D211 PolarHBondContact O-N 2.79Å; D211-H249 VanDerWaalsContact CG-NE2 3.27Å; D211-H249 IonicContact OD1-CD2 3.54Å; D211-H249 IonicContact OD1-CE1 3.91Å; D211-H249 IonicContact OD1-NE2 3.46Å; D211-H249 PolarHBondContact OD1-NE2 2.8Å; D211-H249 IonicContact OD2-CE1 3.63Å; D211-H249 IonicContact OD2-NE2 3.38Å; D211-H249 PolarHBondContact OD2-NE2 3.02Å; D211-H249 VanDerWaalsContact OD2-NE2 3.08Å; D211-S251 WeakPolarHBondContact OD1-CB 3.41Å; D211-S251 PolarHBondContact OD1-OG 3.48Å
212	L	97.1	Very high	95.4	Very high	63 Å²	63	27.3 Å²	27.3	33%	0.33	14%	0.142	S	C	.	.	H	α-helix	trans	-79.6	-29.1	175.8	-68.2	176.6	0	0	0	112.6	I177 Y184 L186 Y208 V209 S210	I177-L212 HydrophobicContact CD1-CB 4.3Å; I177-L212 WeakPolarHBondContact CD1-O 3.33Å; Y184-L212 HydrophobicContact CD1-CD1 4.29Å; Y184-L212 HydrophobicContact CE1-CB 4.5Å; Y184-L212 HydrophobicContact CE1-CD1 3.48Å; Y184-L212 VanDerWaalsContact CE1-CD1 3.48Å; L186-L212 HydrophobicContact CD2-CD1 4.39Å; Y208-L212 HydrophobicContact CD1-CD1 3.96Å; Y208-L212 HydrophobicContact CE1-CD1 3.48Å; Y208-L212 VanDerWaalsContact CE1-CD1 3.48Å; Y208-L212 HydrophobicContact CE1-CG 4.28Å; Y208-L212 WeakPolarHBondContact O-CG 3.2Å; Y208-L212 PolarHBondContact O-N 3.37Å; V209-L212 PolarHBondContact O-N 3.3Å; V209-L212 VanDerWaalsContact O-N 3.15Å; S210-L212 VanDerWaalsContact C-N 3.29Å; S210-L212 PolarHBondContact O-N 2.92Å
213	L	97.4	Very high	95.5	Very high	5 Å²	5	24 Å²	24	3%	0.026	13%	0.126	C	C	.	.	S	Bend	trans	-79.1	141.5	-176.8	-67.6	-174.4	0	0	0	112	I177 Y184 V209 S210 L215 R255 F372	I177-L213 HydrophobicContact CB-CD2 4.04Å; I177-L213 HydrophobicContact CD1-CD2 4.32Å; I177-L213 HydrophobicContact CG1-CD2 4Å; Y184-L213 HydrophobicContact CG-CD2 4.5Å; V209-L213 HydrophobicContact CG1-CD1 4.16Å; V209-L213 HydrophobicContact CG1-CG 4.3Å; V209-L213 WeakPolarHBondContact O-CG 3.38Å; V209-L213 PolarHBondContact O-N 3.08Å; V209-L213 VanDerWaalsContact O-N 3.16Å; S210-L213 PolarHBondContact O-N 3.18Å; L213-L215 PolarHBondContact O-N 3.45Å; L213-R255 PolarHBondContact O-NH2 3.42Å; L213-F372 HydrophobicContact CD1-CB 3.52Å; L213-F372 HydrophobicContact CD1-CD1 4.33Å; L213-F372 HydrophobicContact CD1-CG 4.05Å
214	P	96.5	Very high	95.4	Very high	48 Å²	48	25 Å²	25	31%	0.312	13%	0.132	S	C	.	.			trans	-53.6	130.3	174.3	-22.5	31.5	0	0	0	111.1	I177 Y216 R255	I177-P214 WeakPolarHBondContact O-CD 3.13Å; P214-Y216 PolarHBondContact O-N 3.11Å; P214-Y216 VanDerWaalsContact O-N 3.09Å; P214-R255 PolarHBondContact O-NH1 2.96Å
215	L	96.5	Very high	95.4	Very high	47 Å²	47	33.9 Å²	33.9	25%	0.246	17%	0.171	C	C	.	.	S	Bend	trans	-53.1	-34.8	-179.3	-65.8	177.9	0	0	0	112.5	L213 S251 L254 R255 Y258	L213-L215 PolarHBondContact O-N 3.45Å; L215-S251 WeakPolarHBondContact CD2-O 3.46Å; L215-L254 HydrophobicContact CD1-CB 4.21Å; L215-L254 HydrophobicContact CD1-CD1 4.03Å; L215-L254 HydrophobicContact CD2-CB 4.01Å; L215-R255 WeakPolarHBondContact O-CA 3.45Å; L215-Y258 HydrophobicContact CB-CD2 3.85Å; L215-Y258 HydrophobicContact CB-CE2 4.02Å; L215-Y258 HydrophobicContact CB-CG 4.34Å; L215-Y258 HydrophobicContact CD1-CD2 4.25Å; L215-Y258 HydrophobicContact CD1-CE2 3.66Å; L215-Y258 HydrophobicContact CG-CE2 4.48Å
216	Y	96	Very high	95.2	Very high	32 Å²	32	36 Å²	36	13%	0.125	19%	0.188	C	C	.	.	S	Bend	trans	-117.5	106.4	168.4	-177.4	-112.2	0	0	0	110.1	D171 R174 P214 Y262 R263	D171-Y216 PolarHBondContact OD2-OH 3.01Å; R174-Y216 PolarHBondContact NH2-O 3.27Å; P214-Y216 PolarHBondContact O-N 3.11Å; P214-Y216 VanDerWaalsContact O-N 3.09Å; Y216-Y262 HydrophobicContact CD2-CD2 4.41Å; Y216-Y262 HydrophobicContact CD2-CG 4.46Å; Y216-Y262 HydrophobicContact CE2-CG 4.39Å; Y216-Y262 HydrophobicContact CG-CD2 4.47Å; Y216-R263 HydrophobicContact CE2-CG 4.39Å
217	R	96	Very high	95.2	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	19%	0.187	C	C	.	.			trans	-111.3	156.1	175.1	67.5	-168	-174.4	143.1	-13.4	110.4	G178 R263 E339 F372	G178-R217 VanDerWaalsContact O-CD 3.3Å; G178-R217 WeakPolarHBondContact O-CD 3.09Å; G178-R217 PolarHBondContact O-NH1 2.88Å; R217-R263 PolarHBondContact O-NH2 2.78Å; R217-E339 IonicContact CZ-OE1 2.83Å; R217-E339 IonicContact CZ-OE2 3.78Å; R217-E339 IonicContact NE-OE1 3.53Å; R217-E339 PolarHBondContact NE-OE1 2.77Å; R217-E339 IonicContact NE-OE2 3.49Å; R217-E339 PolarHBondContact NE-OE2 3.21Å; R217-E339 IonicContact NH2-OE1 3.86Å; R217-E339 PolarHBondContact NH2-OE1 2.69Å; R217-E339 IonicContact NH2-OE2 3.22Å; R217-F372 PolarHBondContact NH1-O 3.39Å; R217-F372 PolarHBondContact NH2-O 3.44Å
218	S	96	Very high	95.1	Very high	0 Å²	0	39 Å²	39	0%	0	20%	0.204	C	C	.	.			trans	-65.5	153.1	167.7	65.7	0	0	0	0	110.8	E179 H180 G181	E179-S218 WeakPolarHBondContact OE2-CB 3.47Å; E179-S218 PolarHBondContact OE2-N 3.1Å; E179-S218 PolarHBondContact OE2-OG 2.96Å; H180-S218 PolarHBondContact N-O 3.38Å; H180-S218 PolarHBondContact N-OG 3.47Å; H180-S218 PolarHBondContact ND1-OG 2.84Å; G181-S218 PolarHBondContact N-O 2.72Å; G181-S218 VanDerWaalsContact N-O 3.15Å
219	T	92.5	Very high	94.8	Very high	7 Å²	7	45.2 Å²	45.2	4%	0.043	23%	0.234	C	C	.	.			trans	-120.1	152.3	176.9	55.3	0	0	0	0	109.5	Y342 I374	T219-Y342 VanDerWaalsContact O-CE2 3.26Å; T219-Y342 WeakPolarHBondContact O-CE2 3.49Å; T219-Y342 PolarHBondContact O-OH 2.66Å; T219-I374 HydrophobicContact CG2-CD1 3.7Å
220	N	91.4	Very high	94.6	Very high	58 Å²	58	48.5 Å²	48.5	31%	0.31	25%	0.249	S	C	.	.			trans	-69	146.6	165.9	52	-27.5	0	0	0	110.7	H180 V222 I374	H180-N220 WeakPolarHBondContact O-CB 3.44Å; H180-N220 PolarHBondContact O-N 2.85Å; N220-V222 HydrophobicContact CB-CG1 4.48Å; N220-V222 VanDerWaalsContact ND2-CG1 3.29Å; N220-V222 WeakPolarHBondContact ND2-CG1 3.4Å; N220-V222 PolarHBondContact O-N 2.87Å; N220-I374 PolarHBondContact ND2-O 3.36Å
221	D	93.9	Very high	94.4	Very high	66 Å²	66	52.8 Å²	52.8	35%	0.353	27%	0.267	S	S	.	.			trans	-85.6	104.9	169.4	-165.9	-8.3	0	0	0	109.5	R223 Y342	D221-R223 VanDerWaalsContact OD1-CB 3.28Å; D221-R223 WeakPolarHBondContact OD1-CB 3.43Å; D221-R223 WeakPolarHBondContact OD1-CG 3.15Å; D221-R223 IonicContact OD1-CZ 2.78Å; D221-R223 PolarHBondContact OD1-N 3.01Å; D221-R223 VanDerWaalsContact OD1-N 3.15Å; D221-R223 IonicContact OD1-NE 2.66Å; D221-R223 PolarHBondContact OD1-NE 3.26Å; D221-R223 IonicContact OD1-NH2 2.73Å; D221-R223 IonicContact OD2-CZ 3.99Å; D221-R223 IonicContact OD2-NE 2.77Å; D221-R223 PolarHBondContact OD2-NE 3.15Å; D221-R223 IonicContact OD2-NH2 3.13Å; D221-R223 PolarHBondContact OD2-NH2 3.31Å; D221-Y342 HydrophobicContact CB-CD2 3.92Å; D221-Y342 HydrophobicContact CB-CE2 4.24Å
222	V	92.3	Very high	94.2	Very high	34 Å²	34	49.8 Å²	49.8	21%	0.206	25%	0.25	C	C	.	.			trans	-95.2	1.1	-177.9	-57.4	0	0	0	0	113	N220 D365 H463	N220-V222 HydrophobicContact CB-CG1 4.48Å; N220-V222 VanDerWaalsContact ND2-CG1 3.29Å; N220-V222 WeakPolarHBondContact ND2-CG1 3.4Å; N220-V222 PolarHBondContact O-N 2.87Å; V222-D365 WeakPolarHBondContact CG2-OD2 3.16Å; V222-H463 WeakPolarHBondContact CG2-ND1 3.42Å
223	R	93.9	Very high	93.9	Very high	19 Å²	19	47 Å²	47	7%	0.072	24%	0.235	C	C	.	.	S	Bend	trans	-69.1	154.6	179.5	-62.9	174.4	-59.7	164.2	5.4	111	H163 D221 K225 C227 Y342 C461 H463	H163-R223 PolarHBondContact CE1-NH1 3.49Å; H163-R223 PolarHBondContact CE1-NH2 3.21Å; H163-R223 PolarHBondContact ND1-NH2 2.99Å; D221-R223 VanDerWaalsContact OD1-CB 3.28Å; D221-R223 WeakPolarHBondContact OD1-CB 3.43Å; D221-R223 WeakPolarHBondContact OD1-CG 3.15Å; D221-R223 IonicContact OD1-CZ 2.78Å; D221-R223 PolarHBondContact OD1-N 3.01Å; D221-R223 VanDerWaalsContact OD1-N 3.15Å; D221-R223 IonicContact OD1-NE 2.66Å; D221-R223 PolarHBondContact OD1-NE 3.26Å; D221-R223 IonicContact OD1-NH2 2.73Å; D221-R223 IonicContact OD2-CZ 3.99Å; D221-R223 IonicContact OD2-NE 2.77Å; D221-R223 PolarHBondContact OD2-NE 3.15Å; D221-R223 IonicContact OD2-NH2 3.13Å; D221-R223 PolarHBondContact OD2-NH2 3.31Å; R223-K225 PolarHBondContact O-N 2.77Å; R223-C227 HydrophobicContact CB-CB 4.19Å; R223-Y342 VanDerWaalsContact CZ-O 3.3Å; R223-Y342 PolarHBondContact NH1-O 3.15Å; R223-C461 WeakPolarHBondContact CD-O 3.33Å; R223-H463 HydrophobicContact CG-CB 4.49Å; R223-H463 VanDerWaalsContact CG-CD2 3.42Å; R223-H463 WeakPolarHBondContact CG-CD2 3.32Å
224	P	91.4	Very high	93.6	Very high	21 Å²	21	47.5 Å²	47.5	14%	0.136	24%	0.24	C	C	.	.			trans	-55.2	137.1	165.3	-22.9	32.8	0	0	0	111.2	A226 C227 P403 V405	P224-A226 PolarHBondContact O-N 3.05Å; P224-C227 VanDerWaalsContact O-CB 3.23Å; P224-C227 WeakPolarHBondContact O-CB 3.47Å; P224-C227 PolarHBondContact O-N 2.72Å; P224-P403 HydrophobicContact CB-CG 4.01Å; P224-P403 HydrophobicContact CG-CB 4.02Å; P224-P403 HydrophobicContact CG-CG 3.75Å; P224-V405 HydrophobicContact CB-CG2 3.98Å; P224-V405 HydrophobicContact CG-CG2 4.43Å
225	K	92.8	Very high	93.1	Very high	187 Å²	187	49.7 Å²	49.7	81%	0.813	24%	0.244	S	C	*	.	G	3₁₀ helix	trans	-54.2	-30.6	179.9	-69.7	-172.7	177	-176.2	0	113.8	R223 C227 L228	R223-K225 PolarHBondContact O-N 2.77Å; K225-C227 PolarHBondContact O-N 2.9Å; K225-L228 WeakPolarHBondContact O-CB 3.48Å; K225-L228 PolarHBondContact O-N 3.18Å; K225-L228 VanDerWaalsContact O-N 3.08Å
226	A	92.3	Very high	93.1	Very high	44 Å²	44	48.2 Å²	48.2	36%	0.364	24%	0.237	S	C	.	.	G	3₁₀ helix	trans	-62.4	-22	176.5	0	0	0	0	0	113.5	P224 L228 Q229 V405	P224-A226 PolarHBondContact O-N 3.05Å; A226-L228 PolarHBondContact O-N 2.91Å; A226-Q229 PolarHBondContact O-N 2.87Å; A226-V405 HydrophobicContact CB-CB 4.45Å; A226-V405 HydrophobicContact CB-CG1 3.88Å; A226-V405 HydrophobicContact CB-CG2 3.76Å
227	C	95.1	Very high	93.1	Very high	0 Å²	0	48 Å²	48	0%	0	24%	0.239	C	C	.	.	G	3₁₀ helix	trans	-65.7	-21.5	173.5	-66	0	0	0	0	113	H163 R223 P224 K225 Q229 K230 C461	H163-C227 PolarHBondContact CE1-O 2.91Å; H163-C227 PolarHBondContact NE2-O 2.79Å; H163-C227 VanDerWaalsContact NE2-O 3.14Å; R223-C227 HydrophobicContact CB-CB 4.19Å; P224-C227 VanDerWaalsContact O-CB 3.23Å; P224-C227 WeakPolarHBondContact O-CB 3.47Å; P224-C227 PolarHBondContact O-N 2.72Å; K225-C227 PolarHBondContact O-N 2.9Å; C227-Q229 PolarHBondContact O-N 2.65Å; C227-K230 PolarHBondContact O-N 2.74Å; C227-C461 VanDerWaalsContact CA-SG 3.56Å; C227-C461 HydrophobicContact CB-CB 3.72Å; C227-C461 WeakPolarHBondContact CB-SG 3.43Å; C227-C461 WeakPolarHBondContact SG-CA 3.31Å; C227-C461 WeakPolarHBondContact SG-CB 3.4Å; C227-C461 CovalentContact SG-SG 2.05Å; C227-C461 PolarHBondContact SG-SG 3.1Å
228	L	94	Very high	93.2	Very high	67 Å²	67	49.3 Å²	49.3	35%	0.351	25%	0.248	S	C	.	.	G	3₁₀ helix	trans	-68	-22.3	175.5	-62.7	173.5	0	0	0	112.6	H163 K225 A226	H163-L228 WeakPolarHBondContact NE2-CA 3.49Å; H163-L228 PolarHBondContact NE2-O 3.38Å; K225-L228 WeakPolarHBondContact O-CB 3.48Å; K225-L228 PolarHBondContact O-N 3.18Å; K225-L228 VanDerWaalsContact O-N 3.08Å; A226-L228 PolarHBondContact O-N 2.91Å
229	Q	92.8	Very high	93.3	Very high	169 Å²	169	49.3 Å²	49.3	79%	0.79	25%	0.248	S	C	*	.	G	3₁₀ helix	trans	-94.4	-3.6	-179.8	-62	177.3	-3.6	0	0	112.8	A226 C227	A226-Q229 PolarHBondContact O-N 2.87Å; C227-Q229 PolarHBondContact O-N 2.65Å
230	K	93.1	Very high	93.6	Very high	69 Å²	69	49 Å²	49	30%	0.3	25%	0.246	S	C	.	.			trans	-78.7	127.1	-178.9	-71	-68.2	-168.7	174.1	0	110.5	C227 Y232 N406	C227-K230 PolarHBondContact O-N 2.74Å; K230-Y232 HydrophobicContact CB-CE2 4.14Å; K230-Y232 WeakPolarHBondContact CB-OH 3.26Å; K230-N406 WeakPolarHBondContact CE-OD1 3.38Å; K230-N406 PolarHBondContact NZ-OD1 2.98Å
231	K	93.1	Very high	93.9	Very high	89 Å²	89	46.2 Å²	46.2	39%	0.387	23%	0.231	S	C	.	.			trans	-104.6	156.9	166.6	-54.3	-178.6	-172.5	175.8	0	109.7	E84 Q159 K160	E84-K231 IonicContact OE1-NZ 2.79Å; E84-K231 PolarHBondContact OE1-NZ 2.87Å; Q159-K231 HydrophobicContact CB-CB 3.8Å; Q159-K231 HydrophobicContact CB-CD 4.07Å; K160-K231 WeakPolarHBondContact O-CA 3.38Å
232	Y	93.9	Very high	94.2	Very high	20 Å²	20	43 Å²	43	8%	0.078	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	170.7	179.7	-54.2	-77.5	0	0	0	109.3	Q159 K160 K230 S234 P346 P347 Q350	Q159-Y232 CarbonylContact C-O 3.58Å; Q159-Y232 WeakPolarHBondContact CA-O 3.46Å; K160-Y232 PolarHBondContact N-O 3.11Å; K160-Y232 PolarHBondContact O-N 3.22Å; K160-Y232 VanDerWaalsContact O-N 3.07Å; K230-Y232 HydrophobicContact CB-CE2 4.14Å; K230-Y232 WeakPolarHBondContact CB-OH 3.26Å; Y232-S234 PolarHBondContact O-N 3.44Å; Y232-P346 HydrophobicContact CD2-CB 3.82Å; Y232-P346 HydrophobicContact CE2-CB 4.44Å; Y232-P346 HydrophobicContact CG-CB 4.17Å; Y232-P347 HydrophobicContact CE1-CB 4.02Å; Y232-P347 HydrophobicContact CE1-CG 4.33Å; Y232-P347 HydrophobicContact CE2-CB 4.45Å; Y232-P347 HydrophobicContact CE2-CG 3.87Å; Y232-P347 WeakPolarHBondContact OH-CG 3.35Å; Y232-Q350 HydrophobicContact CD1-CB 3.66Å; Y232-Q350 HydrophobicContact CD1-CG 3.91Å; Y232-Q350 HydrophobicContact CE1-CB 4.38Å
233	C	91.9	Very high	94.5	Very high	4 Å²	4	41.5 Å²	41.5	3%	0.027	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-53.7	140.8	179.3	-54.7	0	0	0	0	112.3	C156 W158 W162 K235 L236 Q350	C156-C233 HydrophobicContact CB-CB 4.2Å; C156-C233 WeakPolarHBondContact CB-SG 3.4Å; C156-C233 WeakPolarHBondContact SG-CA 3.24Å; C156-C233 WeakPolarHBondContact SG-CB 3.44Å; C156-C233 CovalentContact SG-SG 2.03Å; C156-C233 PolarHBondContact SG-SG 3.13Å; W158-C233 WeakPolarHBondContact O-CA 3.48Å; W162-C233 WeakPolarHBondContact CZ2-O 3.48Å; W162-C233 PolarHBondContact NE1-O 2.94Å; C233-K235 VanDerWaalsContact C-N 3.27Å; C233-K235 PolarHBondContact O-N 3.4Å; C233-L236 HydrophobicContact CB-CD2 3.95Å; C233-L236 HydrophobicContact CB-CG 4.45Å; C233-L236 WeakPolarHBondContact O-CG 3.46Å; C233-Q350 PolarHBondContact SG-NE2 3.34Å; C233-Q350 VanDerWaalsContact SG-NE2 3.41Å; C233-Q350 PolarHBondContact SG-OE1 2.93Å
234	S	89.8	Confident	94.7	Very high	17 Å²	17	40.9 Å²	40.9	12%	0.119	20%	0.203	C	C	.	.	S	Bend	trans	-61.6	-37.4	173.2	57.1	0	0	0	0	111.8	W158 W162 Y232	W158-S234 PolarHBondContact O-N 2.75Å; W162-S234 VanDerWaalsContact CZ2-O 3.23Å; W162-S234 WeakPolarHBondContact CZ2-O 3.41Å; Y232-S234 PolarHBondContact O-N 3.44Å
235	K	87.4	Confident	95	Very high	94 Å²	94	40.2 Å²	40.2	41%	0.409	20%	0.198	S	C	.	.	S	Bend	trans	-105	102.7	177.1	-167.3	174.1	-174.4	179.2	0	110.5	D102 C233	D102-K235 HydrophobicContact CB-CD 4.45Å; D102-K235 PolarHBondContact O-NZ 3.44Å; C233-K235 VanDerWaalsContact C-N 3.27Å; C233-K235 PolarHBondContact O-N 3.4Å
236	L	94.8	Very high	95.1	Very high	16 Å²	16	34.4 Å²	34.4	8%	0.084	17%	0.174	C	C	.	.			trans	-108.6	153.8	174	-67	171.7	0	0	0	110.1	W162 C233 L268 P346 L349 V353	W162-L236 HydrophobicContact CD2-CD1 4.48Å; W162-L236 HydrophobicContact CZ2-CB 4.44Å; W162-L236 HydrophobicContact CZ2-CD1 3.77Å; W162-L236 HydrophobicContact CZ2-CG 4.1Å; C233-L236 HydrophobicContact CB-CD2 3.95Å; C233-L236 HydrophobicContact CB-CG 4.45Å; C233-L236 WeakPolarHBondContact O-CG 3.46Å; L236-L268 HydrophobicContact CB-CD1 4.28Å; L236-L268 HydrophobicContact CB-CD2 3.65Å; L236-L268 HydrophobicContact CD1-CD1 4.02Å; L236-P346 HydrophobicContact CD1-CB 3.68Å; L236-P346 HydrophobicContact CD1-CG 4.32Å; L236-L349 HydrophobicContact CB-CB 4.47Å; L236-L349 HydrophobicContact CB-CD1 3.99Å; L236-L349 HydrophobicContact CD1-CB 4.44Å; L236-L349 HydrophobicContact CD1-CD1 4.41Å; L236-L349 HydrophobicContact CD2-CB 4.1Å; L236-V353 HydrophobicContact CD2-CG2 4Å
237	P	95.9	Very high	95.2	Very high	27 Å²	27	34.1 Å²	34.1	18%	0.175	17%	0.166	C	C	.	.			trans	-64.5	152.7	179.8	24.7	-34.1	0	0	0	112.2	D329 V330 L349 V353	P237-D329 HydrophobicContact CB-CB 3.77Å; P237-V330 HydrophobicContact CB-CG2 3.92Å; P237-V330 HydrophobicContact CG-CG2 3.62Å; P237-L349 HydrophobicContact CG-CB 4.36Å; P237-L349 HydrophobicContact CG-CD1 4.44Å; P237-L349 HydrophobicContact CG-CD2 4.47Å; P237-V353 VanDerWaalsContact CD-CG2 3.45Å; P237-V353 HydrophobicContact CG-CG2 4.13Å
238	S	98.1	Very high	95.2	Very high	27 Å²	27	34.4 Å²	34.4	19%	0.189	17%	0.168	C	C	.	.			trans	-67.3	151.1	172.7	64.7	0	0	0	0	111.2	L268 D329 V330	S238-L268 CarbonylContact C-O 3.54Å; S238-D329 PolarHBondContact N-OD2 3.38Å; S238-D329 PolarHBondContact O-N 3.1Å; S238-D329 VanDerWaalsContact OG-CG 3.23Å; S238-D329 PolarHBondContact OG-N 3.04Å; S238-D329 PolarHBondContact OG-OD2 2.96Å; S238-V330 PolarHBondContact O-N 2.81Å
239	V	98.8	Very high	95.4	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	129.3	-172.3	177.3	0	0	0	0	112	V241 L268 E270 E271 V330 V332 L345 L349	V239-V241 HydrophobicContact CG1-CG2 4.03Å; V239-L268 WeakPolarHBondContact CB-O 3.46Å; V239-L268 PolarHBondContact N-O 3.34Å; V239-E270 WeakPolarHBondContact O-CB 3.23Å; V239-E270 PolarHBondContact O-N 3.24Å; V239-E271 PolarHBondContact O-N 3.41Å; V239-V330 WeakPolarHBondContact CA-O 3.4Å; V239-V330 HydrophobicContact CG2-CB 4.3Å; V239-V332 HydrophobicContact CG1-CB 4.16Å; V239-V332 HydrophobicContact CG1-CG2 3.53Å; V239-L345 HydrophobicContact CB-CD2 4.23Å; V239-L345 HydrophobicContact CG1-CD1 4.16Å; V239-L345 HydrophobicContact CG1-CD2 4.42Å; V239-L345 HydrophobicContact CG2-CD1 4.1Å; V239-L345 HydrophobicContact CG2-CD2 4.06Å; V239-L345 HydrophobicContact CG2-CG 4.34Å; V239-L349 HydrophobicContact CG2-CD1 3.68Å; V239-L349 HydrophobicContact CG2-CD2 3.62Å; V239-L349 HydrophobicContact CG2-CG 4.24Å
240	S	98.8	Very high	95.7	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	122.6	160.8	-64.2	0	0	0	0	110.5	E271 N327 G328 V330 V332	S240-E271 WeakPolarHBondContact CA-O 3.47Å; S240-E271 VanDerWaalsContact OG-CG 3.26Å; S240-E271 WeakPolarHBondContact OG-CG 3.49Å; S240-E271 PolarHBondContact OG-OE1 2.99Å; S240-N327 PolarHBondContact OG-N 3.35Å; S240-G328 WeakPolarHBondContact OG-CA 3.41Å; S240-G328 PolarHBondContact OG-N 2.77Å; S240-V330 PolarHBondContact N-O 3.46Å; S240-V332 PolarHBondContact O-N 2.79Å
241	V	98.9	Very high	95.9	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	114.2	175	-174.4	0	0	0	0	109.2	V239 V243 V260 L269 E271 V272 V273 V332 M334 W344	V239-V241 HydrophobicContact CG1-CG2 4.03Å; V241-V243 HydrophobicContact CG1-CG2 3.88Å; V241-V260 HydrophobicContact CB-CG1 4.29Å; V241-V260 HydrophobicContact CG1-CG1 4.44Å; V241-V260 HydrophobicContact CG1-CG2 4.43Å; V241-V260 HydrophobicContact CG2-CG1 3.85Å; V241-L269 HydrophobicContact CG2-CD1 3.75Å; V241-E271 PolarHBondContact N-O 3.43Å; V241-V272 HydrophobicContact CB-CG2 4.46Å; V241-V272 CarbonylContact O-C 3.51Å; V241-V272 WeakPolarHBondContact O-CA 3.23Å; V241-V273 PolarHBondContact O-N 3.07Å; V241-V332 CarbonylContact C-O 3.46Å; V241-V332 WeakPolarHBondContact CA-O 3.34Å; V241-V332 HydrophobicContact CG2-CB 4.29Å; V241-M334 HydrophobicContact CG1-CB 4.42Å; V241-M334 HydrophobicContact CG1-CE 4.39Å; V241-W344 HydrophobicContact CG2-CH2 4.32Å
242	V	98.8	Very high	96.2	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	114	-179.9	-179.5	0	0	0	0	109.6	P244 V275 A326 V332 F333 M334	V242-P244 WeakPolarHBondContact O-CD 3.27Å; V242-V275 HydrophobicContact CG1-CG2 4.06Å; V242-A326 HydrophobicContact CG2-CB 4.46Å; V242-V332 PolarHBondContact N-O 2.75Å; V242-F333 HydrophobicContact CB-CD1 3.82Å; V242-F333 HydrophobicContact CB-CE1 3.97Å; V242-F333 HydrophobicContact CG1-CD1 3.96Å; V242-F333 HydrophobicContact CG1-CE1 3.96Å; V242-F333 HydrophobicContact CG2-CE1 4.27Å; V242-M334 PolarHBondContact O-N 3.25Å; V242-M334 VanDerWaalsContact O-N 3.16Å
243	V	98.7	Very high	96.4	Very high	1 Å²	1	17.6 Å²	17.6	1%	0.006	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	93.4	-175.8	-174.1	0	0	0	0	109.7	V241 L253 V272 V273 L274 V275 M334 A336	V241-V243 HydrophobicContact CG1-CG2 3.88Å; V243-L253 HydrophobicContact CG1-CD1 4.5Å; V243-V272 HydrophobicContact CG2-CG1 4.1Å; V243-V273 PolarHBondContact N-O 2.95Å; V243-L274 HydrophobicContact CB-CD2 3.75Å; V243-L274 HydrophobicContact CG1-CD2 4.09Å; V243-L274 HydrophobicContact CG2-CD2 4.3Å; V243-V275 PolarHBondContact O-N 2.95Å; V243-M334 WeakPolarHBondContact CA-O 3.48Å; V243-M334 HydrophobicContact CG2-CE 4.04Å; V243-A336 HydrophobicContact CG1-CB 3.75Å
244	P	97.9	Very high	96.7	Very high	7 Å²	7	17.7 Å²	17.7	5%	0.045	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	140	174	33.2	-37.7	0	0	0	111.1	V242 V275 L315 A318 R319 M334	V242-P244 WeakPolarHBondContact O-CD 3.27Å; P244-V275 CarbonylContact C-O 3.51Å; P244-V275 WeakPolarHBondContact CA-O 3.27Å; P244-L315 HydrophobicContact CB-CD1 3.89Å; P244-L315 HydrophobicContact CG-CD1 3.39Å; P244-A318 HydrophobicContact CB-CB 3.74Å; P244-R319 HydrophobicContact CB-CG 4.26Å; P244-R319 HydrophobicContact CG-CG 3.72Å; P244-M334 WeakPolarHBondContact CD-O 3.35Å
245	F	97.4	Very high	97.1	Very high	7 Å²	7	17.1 Å²	17.1	3%	0.031	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	150	175	72.1	-83.7	0	0	0	112.4	E248 L253 L274 V275 D276 D277 L284 L288 A336	F245-E248 HydrophobicContact CB-CB 4.12Å; F245-E248 HydrophobicContact CD2-CB 4.48Å; F245-L253 HydrophobicContact CB-CD1 4.4Å; F245-L253 HydrophobicContact CD1-CD1 4.21Å; F245-L253 HydrophobicContact CD1-CD2 4.33Å; F245-L253 HydrophobicContact CD2-CD2 4.06Å; F245-L253 HydrophobicContact CE1-CD2 4.28Å; F245-L253 HydrophobicContact CE2-CD2 3.98Å; F245-L253 HydrophobicContact CG-CD1 4.26Å; F245-L253 HydrophobicContact CG-CD2 4.22Å; F245-L253 HydrophobicContact CZ-CD2 4.07Å; F245-L274 HydrophobicContact CD1-CB 4.44Å; F245-L274 HydrophobicContact CE1-CB 3.89Å; F245-V275 WeakPolarHBondContact CD1-O 3.3Å; F245-V275 PolarHBondContact N-O 2.78Å; F245-D276 HydrophobicContact CE1-CB 3.74Å; F245-D276 HydrophobicContact CE2-CB 3.85Å; F245-D276 HydrophobicContact CZ-CB 3.35Å; F245-D277 PolarHBondContact O-N 3.34Å; F245-L284 HydrophobicContact CD2-CD1 4.12Å; F245-L284 HydrophobicContact CE2-CB 4.26Å; F245-L284 HydrophobicContact CE2-CD1 4.03Å; F245-L284 HydrophobicContact CE2-CD2 4.24Å; F245-L284 HydrophobicContact CE2-CG 4.42Å; F245-L288 HydrophobicContact CZ-CD2 4.01Å; F245-A336 HydrophobicContact CB-CB 3.62Å
246	H	95	Very high	97.6	Very high	64 Å²	64	12.7 Å²	12.7	30%	0.296	7%	0.069	S	C	.	.	S	Bend	trans	-143.8	116.4	170.8	174	75.3	0	0	0	108.3	E248 D277 A278 S279	H246-E248 PolarHBondContact O-N 3.27Å; H246-E248 VanDerWaalsContact O-N 3.16Å; H246-D277 HydrophobicContact CB-CB 4.33Å; H246-D277 PolarHBondContact ND1-O 2.97Å; H246-A278 PolarHBondContact CE1-O 3.4Å; H246-A278 VanDerWaalsContact CE1-O 3.26Å; H246-A278 PolarHBondContact ND1-O 3.47Å; H246-S279 WeakPolarHBondContact CA-OG 3.3Å
247	N	94.8	Very high	97.8	Very high	38 Å²	38	12 Å²	12	20%	0.203	7%	0.065	C	C	.	.	S	Bend	trans	53.5	32.8	-179.4	-74.9	-34.3	0	0	0	113.9	S279 T280 K281	N247-S279 PolarHBondContact N-OG 2.89Å; N247-T280 PolarHBondContact ND2-OG1 3.11Å; N247-T280 PolarHBondContact OD1-N 3.31Å; N247-T280 PolarHBondContact OD1-OG1 2.87Å; N247-T280 VanDerWaalsContact OD1-OG1 3.11Å; N247-K281 HydrophobicContact CB-CD 4.17Å; N247-K281 HydrophobicContact CB-CG 4.39Å; N247-K281 VanDerWaalsContact O-CE 3.31Å; N247-K281 WeakPolarHBondContact O-CE 3.39Å; N247-K281 PolarHBondContact O-NZ 3.21Å; N247-K281 PolarHBondContact OD1-N 2.74Å
248	E	96.4	Very high	97.9	Very high	6 Å²	6	11.7 Å²	11.7	3%	0.028	6%	0.061	C	C	.	.			trans	-65.5	151.1	174.9	-163.2	59.8	-92.7	0	0	111.3	Y205 F245 H246 L250 V252 L253 L284 A336 H337 R469	Y205-E248 PolarHBondContact OH-OE1 3.34Å; F245-E248 HydrophobicContact CB-CB 4.12Å; F245-E248 HydrophobicContact CD2-CB 4.48Å; H246-E248 PolarHBondContact O-N 3.27Å; H246-E248 VanDerWaalsContact O-N 3.16Å; E248-L250 PolarHBondContact O-N 2.79Å; E248-V252 HydrophobicContact CG-CG1 4.44Å; E248-L253 HydrophobicContact CB-CB 4.42Å; E248-L253 HydrophobicContact CG-CB 4.15Å; E248-L284 WeakPolarHBondContact O-CD1 3.41Å; E248-A336 HydrophobicContact CG-CB 4Å; E248-H337 IonicContact OE2-CE1 3.42Å; E248-H337 IonicContact OE2-CG 2.71Å; E248-H337 IonicContact OE2-ND1 3.68Å; E248-H337 PolarHBondContact OE2-ND1 3.07Å; E248-R469 IonicContact OE1-NH2 3.44Å
249	H	97.2	Very high	97.9	Very high	12 Å²	12	10.5 Å²	10.5	6%	0.056	5%	0.052	C	C	.	.			trans	-69.2	130.1	173.6	-164.5	64	0	0	0	110	N203 Y205 G207 D211 S251 V252 L253	N203-H249 PolarHBondContact ND2-ND1 2.99Å; Y205-H249 HydrophobicContact CE2-CB 4.16Å; Y205-H249 VanDerWaalsContact OH-CB 3.32Å; Y205-H249 WeakPolarHBondContact OH-CB 3.31Å; G207-H249 PolarHBondContact O-NE2 3.11Å; D211-H249 VanDerWaalsContact CG-NE2 3.27Å; D211-H249 IonicContact OD1-CD2 3.54Å; D211-H249 IonicContact OD1-CE1 3.91Å; D211-H249 IonicContact OD1-NE2 3.46Å; D211-H249 PolarHBondContact OD1-NE2 2.8Å; D211-H249 IonicContact OD2-CE1 3.63Å; D211-H249 IonicContact OD2-NE2 3.38Å; D211-H249 PolarHBondContact OD2-NE2 3.02Å; D211-H249 VanDerWaalsContact OD2-NE2 3.08Å; H249-S251 PolarHBondContact CD2-OG 3Å; H249-S251 PolarHBondContact NE2-OG 3.24Å; H249-S251 PolarHBondContact O-N 2.89Å; H249-V252 HydrophobicContact CB-CB 4.23Å; H249-V252 HydrophobicContact CB-CG2 4.13Å; H249-V252 WeakPolarHBondContact O-CB 3.47Å; H249-V252 PolarHBondContact O-N 3.37Å; H249-L253 PolarHBondContact O-N 2.73Å
250	L	98.2	Very high	97.9	Very high	37 Å²	37	10.5 Å²	10.5	19%	0.194	5%	0.052	C	C	.	.	H	α-helix	trans	-57.1	-46.7	-168.9	175.9	62.8	0	0	0	112.9	E248 V252 L253 L254 E283 L284 L288	E248-L250 PolarHBondContact O-N 2.79Å; L250-V252 VanDerWaalsContact C-N 3.26Å; L250-V252 PolarHBondContact O-N 2.91Å; L250-L253 PolarHBondContact O-N 3.4Å; L250-L254 HydrophobicContact CD1-CD1 3.9Å; L250-L254 HydrophobicContact CD1-CG 3.98Å; L250-L254 HydrophobicContact CG-CD1 3.92Å; L250-L254 HydrophobicContact CG-CG 4.39Å; L250-L254 WeakPolarHBondContact O-CB 3.36Å; L250-L254 WeakPolarHBondContact O-CG 3.41Å; L250-L254 PolarHBondContact O-N 3.41Å; L250-E283 HydrophobicContact CB-CB 4.49Å; L250-E283 HydrophobicContact CB-CG 3.99Å; L250-E283 HydrophobicContact CD2-CB 4.1Å; L250-E283 HydrophobicContact CD2-CG 4.5Å; L250-L284 HydrophobicContact CB-CD2 4.46Å; L250-L284 HydrophobicContact CD1-CD2 4.27Å; L250-L288 HydrophobicContact CD1-CB 4.2Å; L250-L288 HydrophobicContact CD1-CD1 3.93Å
251	S	98.2	Very high	97.8	Very high	11 Å²	11	11.7 Å²	11.7	8%	0.077	6%	0.059	C	C	.	.	H	α-helix	trans	-66.5	-28.1	-179.9	60	0	0	0	0	112.9	S210 D211 L215 H249 R255	S210-S251 WeakPolarHBondContact CB-OG 3.4Å; D211-S251 WeakPolarHBondContact OD1-CB 3.41Å; D211-S251 PolarHBondContact OD1-OG 3.48Å; L215-S251 WeakPolarHBondContact CD2-O 3.46Å; H249-S251 PolarHBondContact CD2-OG 3Å; H249-S251 PolarHBondContact NE2-OG 3.24Å; H249-S251 PolarHBondContact O-N 2.89Å; S251-R255 WeakPolarHBondContact O-CB 3.41Å; S251-R255 PolarHBondContact O-N 2.79Å
252	V	98.4	Very high	97.5	Very high	2 Å²	2	16.7 Å²	16.7	1%	0.012	8%	0.078	C	C	.	.	H	α-helix	trans	-72.5	-47.7	174.4	172	0	0	0	0	111	Y205 S210 E248 H249 L250 L254 R255 S256 H337 F372 I467	Y205-V252 HydrophobicContact CE2-CG2 3.67Å; S210-V252 WeakPolarHBondContact OG-CG2 3.42Å; E248-V252 HydrophobicContact CG-CG1 4.44Å; H249-V252 HydrophobicContact CB-CB 4.23Å; H249-V252 HydrophobicContact CB-CG2 4.13Å; H249-V252 WeakPolarHBondContact O-CB 3.47Å; H249-V252 PolarHBondContact O-N 3.37Å; L250-V252 VanDerWaalsContact C-N 3.26Å; L250-V252 PolarHBondContact O-N 2.91Å; V252-L254 VanDerWaalsContact C-N 3.34Å; V252-L254 PolarHBondContact O-N 3.38Å; V252-R255 WeakPolarHBondContact O-CB 3.19Å; V252-R255 PolarHBondContact O-N 2.94Å; V252-S256 PolarHBondContact O-N 2.84Å; V252-S256 PolarHBondContact O-OG 3.22Å; V252-H337 HydrophobicContact CG1-CB 3.48Å; V252-H337 VanDerWaalsContact CG1-CB 3.48Å; V252-F372 HydrophobicContact CG2-CE1 4.14Å; V252-F372 HydrophobicContact CG2-CZ 3.97Å; V252-I467 HydrophobicContact CG1-CD1 3.81Å; V252-I467 HydrophobicContact CG2-CD1 4.2Å
253	L	98.6	Very high	97.4	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-57.5	-49	175.4	173.9	63.6	0	0	0	110.9	V243 F245 E248 H249 L250 R255 S256 V257 L274 L284 L288 A336	V243-L253 HydrophobicContact CG1-CD1 4.5Å; F245-L253 HydrophobicContact CB-CD1 4.4Å; F245-L253 HydrophobicContact CD1-CD1 4.21Å; F245-L253 HydrophobicContact CD1-CD2 4.33Å; F245-L253 HydrophobicContact CD2-CD2 4.06Å; F245-L253 HydrophobicContact CE1-CD2 4.28Å; F245-L253 HydrophobicContact CE2-CD2 3.98Å; F245-L253 HydrophobicContact CG-CD1 4.26Å; F245-L253 HydrophobicContact CG-CD2 4.22Å; F245-L253 HydrophobicContact CZ-CD2 4.07Å; E248-L253 HydrophobicContact CB-CB 4.42Å; E248-L253 HydrophobicContact CG-CB 4.15Å; H249-L253 PolarHBondContact O-N 2.73Å; L250-L253 PolarHBondContact O-N 3.4Å; L253-R255 VanDerWaalsContact C-N 3.33Å; L253-R255 PolarHBondContact O-N 2.94Å; L253-S256 WeakPolarHBondContact O-CB 3.42Å; L253-S256 PolarHBondContact O-N 2.78Å; L253-V257 WeakPolarHBondContact O-CG2 3.47Å; L253-V257 PolarHBondContact O-N 3.13Å; L253-V257 VanDerWaalsContact O-N 3.1Å; L253-L274 HydrophobicContact CD1-CD2 4.06Å; L253-L284 HydrophobicContact CD2-CD2 3.92Å; L253-L288 HydrophobicContact CD2-CD1 4.29Å; L253-L288 HydrophobicContact CD2-CD2 3.89Å; L253-A336 HydrophobicContact CD1-CB 3.95Å
254	L	98.6	Very high	97.4	Very high	6 Å²	6	17.9 Å²	17.9	3%	0.031	8%	0.084	C	C	.	.	H	α-helix	trans	-60.5	-44.1	177.7	-72	175	0	0	0	110.7	L215 L250 V252 S256 V257 Y258 L288 L292	L215-L254 HydrophobicContact CD1-CB 4.21Å; L215-L254 HydrophobicContact CD1-CD1 4.03Å; L215-L254 HydrophobicContact CD2-CB 4.01Å; L250-L254 HydrophobicContact CD1-CD1 3.9Å; L250-L254 HydrophobicContact CD1-CG 3.98Å; L250-L254 HydrophobicContact CG-CD1 3.92Å; L250-L254 HydrophobicContact CG-CG 4.39Å; L250-L254 WeakPolarHBondContact O-CB 3.36Å; L250-L254 WeakPolarHBondContact O-CG 3.41Å; L250-L254 PolarHBondContact O-N 3.41Å; V252-L254 VanDerWaalsContact C-N 3.34Å; V252-L254 PolarHBondContact O-N 3.38Å; L254-S256 VanDerWaalsContact C-N 3.26Å; L254-S256 PolarHBondContact O-N 3.06Å; L254-V257 CarbonylContact O-C 3.57Å; L254-V257 WeakPolarHBondContact O-CA 3.42Å; L254-V257 WeakPolarHBondContact O-CB 3.42Å; L254-V257 PolarHBondContact O-N 2.99Å; L254-Y258 HydrophobicContact CB-CD2 4.26Å; L254-Y258 HydrophobicContact CB-CE2 4.36Å; L254-Y258 VanDerWaalsContact O-CD2 3.23Å; L254-Y258 WeakPolarHBondContact O-CD2 3.45Å; L254-Y258 PolarHBondContact O-N 3.28Å; L254-L288 HydrophobicContact CD2-CD1 3.88Å; L254-L292 HydrophobicContact CD2-CD2 4.41Å
255	R	97.8	Very high	97.3	Very high	4 Å²	4	18.8 Å²	18.8	2%	0.015	9%	0.09	C	C	.	.	H	α-helix	trans	-55.6	-40.3	176.4	179.5	-178.2	-48.6	-66.1	-8.8	112.7	S210 L213 P214 L215 S251 V252 L253 S259 E339	S210-R255 PolarHBondContact O-NH2 2.63Å; S210-R255 PolarHBondContact OG-NE 2.86Å; L213-R255 PolarHBondContact O-NH2 3.42Å; P214-R255 PolarHBondContact O-NH1 2.96Å; L215-R255 WeakPolarHBondContact O-CA 3.45Å; S251-R255 WeakPolarHBondContact O-CB 3.41Å; S251-R255 PolarHBondContact O-N 2.79Å; V252-R255 WeakPolarHBondContact O-CB 3.19Å; V252-R255 PolarHBondContact O-N 2.94Å; L253-R255 VanDerWaalsContact C-N 3.33Å; L253-R255 PolarHBondContact O-N 2.94Å; R255-S259 WeakPolarHBondContact O-CB 3.15Å; R255-S259 PolarHBondContact O-N 3.44Å; R255-S259 PolarHBondContact O-OG 2.81Å; R255-E339 WeakPolarHBondContact CD-OE1 3.41Å; R255-E339 HydrophobicContact CG-CG 3.67Å
256	S	98.5	Very high	97.1	Very high	1 Å²	1	24.6 Å²	24.6	1%	0.007	13%	0.126	C	C	.	.	H	α-helix	trans	-61	-49.1	171.8	-61.3	0	0	0	0	112.4	V252 L253 L254 S259 V260 A336 S338	V252-S256 PolarHBondContact O-N 2.84Å; V252-S256 PolarHBondContact O-OG 3.22Å; L253-S256 WeakPolarHBondContact O-CB 3.42Å; L253-S256 PolarHBondContact O-N 2.78Å; L254-S256 VanDerWaalsContact C-N 3.26Å; L254-S256 PolarHBondContact O-N 3.06Å; S256-S259 PolarHBondContact O-N 2.8Å; S256-S259 PolarHBondContact O-OG 2.99Å; S256-V260 WeakPolarHBondContact O-CG2 3.44Å; S256-V260 PolarHBondContact O-N 2.72Å; S256-V260 VanDerWaalsContact O-N 3.1Å; S256-A336 PolarHBondContact OG-O 3.23Å; S256-A336 VanDerWaalsContact OG-O 3.07Å; S256-S338 WeakPolarHBondContact CA-O 3.3Å; S256-S338 WeakPolarHBondContact CB-O 3.13Å; S256-S338 PolarHBondContact OG-N 3.29Å; S256-S338 PolarHBondContact OG-O 2.99Å
257	V	98.5	Very high	97.1	Very high	1 Å²	1	27.1 Å²	27.1	1%	0.006	14%	0.138	C	C	.	.	H	α-helix	trans	-57.9	-53.1	177.2	176	0	0	0	0	111.3	L253 L254 S259 V260 L261 L274 M297 V300	L253-V257 WeakPolarHBondContact O-CG2 3.47Å; L253-V257 PolarHBondContact O-N 3.13Å; L253-V257 VanDerWaalsContact O-N 3.1Å; L254-V257 CarbonylContact O-C 3.57Å; L254-V257 WeakPolarHBondContact O-CA 3.42Å; L254-V257 WeakPolarHBondContact O-CB 3.42Å; L254-V257 PolarHBondContact O-N 2.99Å; V257-S259 VanDerWaalsContact C-N 3.31Å; V257-S259 PolarHBondContact O-N 2.86Å; V257-V260 PolarHBondContact O-N 3.44Å; V257-V260 VanDerWaalsContact O-N 3.16Å; V257-L261 HydrophobicContact CG1-CD1 3.75Å; V257-L261 HydrophobicContact CG1-CG 4.12Å; V257-L261 WeakPolarHBondContact O-CG 3.41Å; V257-L261 PolarHBondContact O-N 2.78Å; V257-L274 HydrophobicContact CG2-CD1 3.79Å; V257-L274 HydrophobicContact CG2-CD2 3.7Å; V257-L274 HydrophobicContact CG2-CG 4.21Å; V257-M297 HydrophobicContact CG1-SD 4.14Å; V257-V300 HydrophobicContact CG1-CG1 4.23Å; V257-V300 HydrophobicContact CG1-CG2 3.72Å
258	Y	98	Very high	97.3	Very high	22 Å²	22	25.6 Å²	25.6	9%	0.086	13%	0.13	C	C	.	.	H	α-helix	trans	-57.6	-43.9	178.7	-85.8	-86.6	0	0	0	111.2	L215 L254 V260 L261 Y262 H291 N295 M297	L215-Y258 HydrophobicContact CB-CD2 3.85Å; L215-Y258 HydrophobicContact CB-CE2 4.02Å; L215-Y258 HydrophobicContact CB-CG 4.34Å; L215-Y258 HydrophobicContact CD1-CD2 4.25Å; L215-Y258 HydrophobicContact CD1-CE2 3.66Å; L215-Y258 HydrophobicContact CG-CE2 4.48Å; L254-Y258 HydrophobicContact CB-CD2 4.26Å; L254-Y258 HydrophobicContact CB-CE2 4.36Å; L254-Y258 VanDerWaalsContact O-CD2 3.23Å; L254-Y258 WeakPolarHBondContact O-CD2 3.45Å; L254-Y258 PolarHBondContact O-N 3.28Å; Y258-V260 VanDerWaalsContact C-N 3.32Å; Y258-V260 PolarHBondContact O-N 3.1Å; Y258-L261 PolarHBondContact O-N 2.78Å; Y258-Y262 AromaticContact CD1-CD2 3.83Å; Y258-Y262 HydrophobicContact CD1-CD2 3.83Å; Y258-Y262 AromaticContact CD1-CE2 3.37Å; Y258-Y262 HydrophobicContact CD1-CE2 3.37Å; Y258-Y262 AromaticContact CE1-CE2 3.83Å; Y258-Y262 HydrophobicContact CE1-CE2 3.83Å; Y258-Y262 HydrophobicContact CG-CE2 4.42Å; Y258-Y262 WeakPolarHBondContact O-CB 3.25Å; Y258-Y262 VanDerWaalsContact O-CD2 3.28Å; Y258-Y262 WeakPolarHBondContact O-CD2 3.03Å; Y258-Y262 PolarHBondContact O-N 3.48Å; Y258-H291 AromaticContact CE2-NE2 3.6Å; Y258-H291 AromaticContact CZ-NE2 3.76Å; Y258-H291 PolarHBondContact OH-NE2 3.29Å; Y258-N295 PolarHBondContact OH-OD1 3.01Å; Y258-M297 HydrophobicContact CD1-CE 4.12Å; Y258-M297 HydrophobicContact CD2-CE 4.1Å; Y258-M297 HydrophobicContact CE1-CE 3.48Å; Y258-M297 VanDerWaalsContact CE1-CE 3.48Å; Y258-M297 HydrophobicContact CE2-CE 3.48Å; Y258-M297 VanDerWaalsContact CE2-CE 3.48Å; Y258-M297 HydrophobicContact CG-CE 4.38Å; Y258-M297 VanDerWaalsContact OH-CE 3.25Å; Y258-M297 WeakPolarHBondContact OH-CE 3.21Å
259	S	97.8	Very high	97.4	Very high	1 Å²	1	25.9 Å²	25.9	1%	0.007	13%	0.132	C	C	.	.	H	α-helix	trans	-59.6	-43.3	178.6	77.4	0	0	0	0	111.9	R255 S256 V257 R263 E339 V340	R255-S259 WeakPolarHBondContact O-CB 3.15Å; R255-S259 PolarHBondContact O-N 3.44Å; R255-S259 PolarHBondContact O-OG 2.81Å; S256-S259 PolarHBondContact O-N 2.8Å; S256-S259 PolarHBondContact O-OG 2.99Å; V257-S259 VanDerWaalsContact C-N 3.31Å; V257-S259 PolarHBondContact O-N 2.86Å; S259-R263 VanDerWaalsContact O-CB 3.31Å; S259-R263 WeakPolarHBondContact O-CB 3.18Å; S259-R263 PolarHBondContact O-N 2.95Å; S259-R263 VanDerWaalsContact O-N 3.15Å; S259-E339 WeakPolarHBondContact OG-CA 3.48Å; S259-V340 VanDerWaalsContact C-CG2 3.48Å; S259-V340 WeakPolarHBondContact O-CG2 3.28Å; S259-V340 PolarHBondContact OG-N 3.4Å
260	V	98.4	Very high	97.4	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-66.5	-49.5	179	171.7	0	0	0	0	110.9	V241 S256 V257 Y258 Y262 S264 L269 V272 M334 V340 W344	V241-V260 HydrophobicContact CB-CG1 4.29Å; V241-V260 HydrophobicContact CG1-CG1 4.44Å; V241-V260 HydrophobicContact CG1-CG2 4.43Å; V241-V260 HydrophobicContact CG2-CG1 3.85Å; S256-V260 WeakPolarHBondContact O-CG2 3.44Å; S256-V260 PolarHBondContact O-N 2.72Å; S256-V260 VanDerWaalsContact O-N 3.1Å; V257-V260 PolarHBondContact O-N 3.44Å; V257-V260 VanDerWaalsContact O-N 3.16Å; Y258-V260 VanDerWaalsContact C-N 3.32Å; Y258-V260 PolarHBondContact O-N 3.1Å; V260-Y262 PolarHBondContact O-N 2.87Å; V260-S264 WeakPolarHBondContact O-CB 3.44Å; V260-S264 PolarHBondContact O-N 3.13Å; V260-S264 VanDerWaalsContact O-N 3.08Å; V260-S264 PolarHBondContact O-OG 2.73Å; V260-L269 HydrophobicContact CG1-CD1 4.12Å; V260-L269 HydrophobicContact CG1-CD2 4.05Å; V260-V272 HydrophobicContact CB-CG2 4.44Å; V260-V272 HydrophobicContact CG1-CG2 3.67Å; V260-M334 HydrophobicContact CG2-CE 3.5Å; V260-M334 HydrophobicContact CG2-SD 4.31Å; V260-V340 HydrophobicContact CG2-CG1 3.94Å; V260-V340 HydrophobicContact CG2-CG2 4.44Å; V260-W344 HydrophobicContact CG1-CZ2 4.45Å
261	L	96.6	Very high	97.4	Very high	26 Å²	26	29 Å²	29	14%	0.136	15%	0.145	C	C	.	.	H	α-helix	trans	-60.4	-42.7	-177.4	-69.6	-179.7	0	0	0	112.8	V257 Y258 L269 V272 M297 N299 V300	V257-L261 HydrophobicContact CG1-CD1 3.75Å; V257-L261 HydrophobicContact CG1-CG 4.12Å; V257-L261 WeakPolarHBondContact O-CG 3.41Å; V257-L261 PolarHBondContact O-N 2.78Å; Y258-L261 PolarHBondContact O-N 2.78Å; L261-L269 HydrophobicContact CD2-CD2 3.96Å; L261-V272 HydrophobicContact CD2-CG2 4.08Å; L261-M297 HydrophobicContact CD1-CE 4.23Å; L261-M297 HydrophobicContact CD1-CG 4.18Å; L261-M297 HydrophobicContact CD1-SD 3.9Å; L261-N299 WeakPolarHBondContact CD2-ND2 3.39Å; L261-N299 VanDerWaalsContact CD2-OD1 3.23Å; L261-N299 WeakPolarHBondContact CD2-OD1 3.46Å; L261-V300 HydrophobicContact CD1-CG2 3.79Å; L261-V300 HydrophobicContact CD2-CG2 3.92Å; L261-V300 HydrophobicContact CG-CG2 4.23Å
262	Y	94.4	Very high	97.4	Very high	104 Å²	104	28.5 Å²	28.5	41%	0.408	14%	0.141	S	C	.	.	H	α-helix	trans	-92.6	-14.6	-171.2	-73.8	-81.8	0	0	0	114.5	Y216 Y258 V260	Y216-Y262 HydrophobicContact CD2-CD2 4.41Å; Y216-Y262 HydrophobicContact CD2-CG 4.46Å; Y216-Y262 HydrophobicContact CE2-CG 4.39Å; Y216-Y262 HydrophobicContact CG-CD2 4.47Å; Y258-Y262 AromaticContact CD1-CD2 3.83Å; Y258-Y262 HydrophobicContact CD1-CD2 3.83Å; Y258-Y262 AromaticContact CD1-CE2 3.37Å; Y258-Y262 HydrophobicContact CD1-CE2 3.37Å; Y258-Y262 AromaticContact CE1-CE2 3.83Å; Y258-Y262 HydrophobicContact CE1-CE2 3.83Å; Y258-Y262 HydrophobicContact CG-CE2 4.42Å; Y258-Y262 WeakPolarHBondContact O-CB 3.25Å; Y258-Y262 VanDerWaalsContact O-CD2 3.28Å; Y258-Y262 WeakPolarHBondContact O-CD2 3.03Å; Y258-Y262 PolarHBondContact O-N 3.48Å; V260-Y262 PolarHBondContact O-N 2.87Å
263	R	95.9	Very high	97.4	Very high	19 Å²	19	28.4 Å²	28.4	7%	0.072	14%	0.141	C	C	.	.	H	α-helix	trans	-111.3	-8.1	177.8	-66.4	-175.8	175.2	105.5	18.2	114.9	D171 Y216 R217 S259 V340	D171-R263 IonicContact OD2-NH2 3.2Å; Y216-R263 HydrophobicContact CE2-CG 4.39Å; R217-R263 PolarHBondContact O-NH2 2.78Å; S259-R263 VanDerWaalsContact O-CB 3.31Å; S259-R263 WeakPolarHBondContact O-CB 3.18Å; S259-R263 PolarHBondContact O-N 2.95Å; S259-R263 VanDerWaalsContact O-N 3.15Å; R263-V340 HydrophobicContact CB-CG2 4Å; R263-V340 WeakPolarHBondContact CD-O 3.45Å; R263-V340 PolarHBondContact NH1-O 2.91Å
264	S	97.7	Very high	97.5	Very high	7 Å²	7	28.4 Å²	28.4	5%	0.049	14%	0.141	C	C	.	.	S	Bend	trans	-86.9	138.2	172.1	-51.4	0	0	0	0	109.7	V260 T266 W344	V260-S264 WeakPolarHBondContact O-CB 3.44Å; V260-S264 PolarHBondContact O-N 3.13Å; V260-S264 VanDerWaalsContact O-N 3.08Å; V260-S264 PolarHBondContact O-OG 2.73Å; S264-T266 PolarHBondContact O-N 3.1Å; S264-W344 WeakPolarHBondContact OG-CZ2 3.27Å; S264-W344 PolarHBondContact OG-NE1 2.98Å; S264-W344 VanDerWaalsContact OG-NE1 3.11Å
265	P	96.8	Very high	97.5	Very high	27 Å²	27	28.1 Å²	28.1	18%	0.175	14%	0.139	C	C	.	.			trans	-56.9	128.7	170.1	-23.7	34.5	0	0	0	110.3	W162 E267 L268 L269 P346	W162-P265 HydrophobicContact CE3-CB 3.86Å; W162-P265 HydrophobicContact CE3-CG 3.69Å; W162-P265 HydrophobicContact CZ3-CB 3.67Å; W162-P265 HydrophobicContact CZ3-CG 3.99Å; P265-E267 HydrophobicContact CB-CG 4.28Å; P265-E267 PolarHBondContact O-N 2.87Å; P265-L268 HydrophobicContact CB-CB 4.44Å; P265-L268 HydrophobicContact CB-CD1 4.14Å; P265-L268 HydrophobicContact CB-CG 4.1Å; P265-L268 HydrophobicContact CG-CD1 4.03Å; P265-L268 PolarHBondContact O-N 2.64Å; P265-L269 PolarHBondContact O-N 3.08Å; P265-L269 VanDerWaalsContact O-N 3.15Å; P265-P346 HydrophobicContact CG-CG 4.26Å
266	T	94.1	Very high	97.5	Very high	129 Å²	129	28.4 Å²	28.4	79%	0.791	14%	0.141	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.1	-28.9	-174.3	48.2	0	0	0	0	113	S264 L268	S264-T266 PolarHBondContact O-N 3.1Å; T266-L268 VanDerWaalsContact C-N 3.29Å; T266-L268 PolarHBondContact O-N 3.11Å
267	E	94.6	Very high	97.3	Very high	117 Å²	117	28.5 Å²	28.5	55%	0.547	14%	0.142	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.4	-16.3	176.3	63.8	-161.3	-128.7	0	0	114.1	K160 W162 P265	K160-E267 IonicContact NZ-OE1 3.08Å; K160-E267 PolarHBondContact NZ-OE1 2.95Å; K160-E267 IonicContact NZ-OE2 2.77Å; W162-E267 HydrophobicContact CH2-CG 3.93Å; W162-E267 WeakPolarHBondContact CH2-OE1 3.17Å; W162-E267 HydrophobicContact CZ3-CG 3.73Å; W162-E267 WeakPolarHBondContact CZ3-OE1 3.3Å; P265-E267 HydrophobicContact CB-CG 4.28Å; P265-E267 PolarHBondContact O-N 2.87Å
268	L	97.7	Very high	97.1	Very high	5 Å²	5	29.4 Å²	29.4	3%	0.026	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.4	-31.1	178.4	-59.1	-176.8	0	0	0	112.7	W162 L236 S238 V239 P265 T266 E270 L345 P346 L349	W162-L268 HydrophobicContact CE3-CD1 4.09Å; W162-L268 HydrophobicContact CH2-CD1 3.76Å; W162-L268 HydrophobicContact CH2-CD2 3.69Å; W162-L268 HydrophobicContact CH2-CG 3.77Å; W162-L268 HydrophobicContact CZ2-CD1 4.31Å; W162-L268 HydrophobicContact CZ2-CD2 4.39Å; W162-L268 HydrophobicContact CZ3-CD1 3.64Å; W162-L268 HydrophobicContact CZ3-CD2 4.23Å; W162-L268 HydrophobicContact CZ3-CG 3.77Å; L236-L268 HydrophobicContact CB-CD1 4.28Å; L236-L268 HydrophobicContact CB-CD2 3.65Å; L236-L268 HydrophobicContact CD1-CD1 4.02Å; S238-L268 CarbonylContact C-O 3.54Å; V239-L268 WeakPolarHBondContact CB-O 3.46Å; V239-L268 PolarHBondContact N-O 3.34Å; P265-L268 HydrophobicContact CB-CB 4.44Å; P265-L268 HydrophobicContact CB-CD1 4.14Å; P265-L268 HydrophobicContact CB-CG 4.1Å; P265-L268 HydrophobicContact CG-CD1 4.03Å; P265-L268 PolarHBondContact O-N 2.64Å; T266-L268 VanDerWaalsContact C-N 3.29Å; T266-L268 PolarHBondContact O-N 3.11Å; L268-E270 PolarHBondContact O-N 3.23Å; L268-L345 HydrophobicContact CB-CD2 4.06Å; L268-P346 HydrophobicContact CD1-CG 4.06Å; L268-L349 HydrophobicContact CD1-CD1 4.08Å
269	L	98.2	Very high	97	Very high	13 Å²	13	29.5 Å²	29.5	7%	0.068	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	101.2	-177.6	-177.7	65	0	0	0	110.7	V241 V260 L261 P265 V272	V241-L269 HydrophobicContact CG2-CD1 3.75Å; V260-L269 HydrophobicContact CG1-CD1 4.12Å; V260-L269 HydrophobicContact CG1-CD2 4.05Å; L261-L269 HydrophobicContact CD2-CD2 3.96Å; P265-L269 PolarHBondContact O-N 3.08Å; P265-L269 VanDerWaalsContact O-N 3.15Å; L269-V272 HydrophobicContact CD1-CG2 4.24Å; L269-V272 HydrophobicContact CD2-CG2 4.28Å
270	E	98.1	Very high	96.8	Very high	101 Å²	101	34.8 Å²	34.8	47%	0.472	19%	0.185	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	-51.7	174.1	-175.2	63.8	-161.8	0	0	110.3	V239 L268 N327	V239-E270 WeakPolarHBondContact O-CB 3.23Å; V239-E270 PolarHBondContact O-N 3.24Å; L268-E270 PolarHBondContact O-N 3.23Å; E270-N327 HydrophobicContact CG-CB 4.24Å
271	E	98.4	Very high	96.6	Very high	13 Å²	13	36.3 Å²	36.3	6%	0.061	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.9	162.4	-178	58.9	177.3	145	0	0	113.4	V239 S240 V241 V273 N299 R301 N327	V239-E271 PolarHBondContact O-N 3.41Å; S240-E271 WeakPolarHBondContact CA-O 3.47Å; S240-E271 VanDerWaalsContact OG-CG 3.26Å; S240-E271 WeakPolarHBondContact OG-CG 3.49Å; S240-E271 PolarHBondContact OG-OE1 2.99Å; V241-E271 PolarHBondContact N-O 3.43Å; E271-V273 HydrophobicContact CG-CG2 4.04Å; E271-V273 WeakPolarHBondContact OE2-CG2 3.31Å; E271-N299 CarbonylContact C-O 3.02Å; E271-N299 VanDerWaalsContact CA-O 3.27Å; E271-N299 WeakPolarHBondContact CA-O 3.47Å; E271-N299 WeakPolarHBondContact CB-O 3.45Å; E271-R301 IonicContact OE1-CZ 3.41Å; E271-R301 IonicContact OE1-NH2 3.76Å; E271-R301 PolarHBondContact OE1-NH2 2.84Å; E271-R301 IonicContact OE2-CZ 3.31Å; E271-R301 IonicContact OE2-NE 2.79Å; E271-R301 PolarHBondContact OE2-NE 3.32Å; E271-R301 IonicContact OE2-NH2 3.83Å; E271-R301 PolarHBondContact OE2-NH2 2.97Å; E271-N327 PolarHBondContact OE1-N 3.16Å; E271-N327 PolarHBondContact OE1-ND2 3.29Å
272	V	98.8	Very high	96.6	Very high	0 Å²	0	40 Å²	40	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	116.1	165.1	-174.6	0	0	0	0	108.7	V241 V243 V260 L261 L269 L274 N299 V300 R301	V241-V272 HydrophobicContact CB-CG2 4.46Å; V241-V272 CarbonylContact O-C 3.51Å; V241-V272 WeakPolarHBondContact O-CA 3.23Å; V243-V272 HydrophobicContact CG2-CG1 4.1Å; V260-V272 HydrophobicContact CB-CG2 4.44Å; V260-V272 HydrophobicContact CG1-CG2 3.67Å; L261-V272 HydrophobicContact CD2-CG2 4.08Å; L269-V272 HydrophobicContact CD1-CG2 4.24Å; L269-V272 HydrophobicContact CD2-CG2 4.28Å; V272-L274 HydrophobicContact CG1-CD2 4.05Å; V272-N299 PolarHBondContact N-O 3.18Å; V272-V300 HydrophobicContact CB-CG1 4.43Å; V272-V300 HydrophobicContact CB-CG2 4.25Å; V272-V300 WeakPolarHBondContact O-CA 3.22Å; V272-R301 PolarHBondContact O-N 3.06Å
273	V	98.8	Very high	96.7	Very high	0 Å²	0	38 Å²	38	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	100.7	177.4	-172.8	0	0	0	0	109.1	V241 V243 E271 V275 R301 L303 V325 A326	V241-V273 PolarHBondContact O-N 3.07Å; V243-V273 PolarHBondContact N-O 2.95Å; E271-V273 HydrophobicContact CG-CG2 4.04Å; E271-V273 WeakPolarHBondContact OE2-CG2 3.31Å; V273-V275 HydrophobicContact CG1-CG2 3.97Å; V273-V275 PolarHBondContact O-N 3.03Å; V273-R301 CarbonylContact C-O 3.56Å; V273-R301 WeakPolarHBondContact CA-O 3.35Å; V273-L303 HydrophobicContact CG1-CB 4.36Å; V273-V325 HydrophobicContact CG1-CG2 3.97Å; V273-A326 HydrophobicContact CG2-CB 4.43Å
274	L	98.8	Very high	96.8	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80	109.9	172.1	-63.5	-173	0	0	0	109.3	V243 F245 L253 V257 V272 L292 V300 R301 V302 L303	V243-L274 HydrophobicContact CB-CD2 3.75Å; V243-L274 HydrophobicContact CG1-CD2 4.09Å; V243-L274 HydrophobicContact CG2-CD2 4.3Å; F245-L274 HydrophobicContact CD1-CB 4.44Å; F245-L274 HydrophobicContact CE1-CB 3.89Å; L253-L274 HydrophobicContact CD1-CD2 4.06Å; V257-L274 HydrophobicContact CG2-CD1 3.79Å; V257-L274 HydrophobicContact CG2-CD2 3.7Å; V257-L274 HydrophobicContact CG2-CG 4.21Å; V272-L274 HydrophobicContact CG1-CD2 4.05Å; L274-L292 HydrophobicContact CD1-CD1 4.32Å; L274-V300 HydrophobicContact CD1-CG1 3.74Å; L274-V300 HydrophobicContact CG-CG1 3.86Å; L274-R301 PolarHBondContact N-O 3.46Å; L274-V302 HydrophobicContact CB-CG2 4.37Å; L274-V302 HydrophobicContact CD1-CG2 4.35Å; L274-V302 CarbonylContact O-C 3.45Å; L274-V302 WeakPolarHBondContact O-CA 3.26Å; L274-L303 PolarHBondContact O-N 2.79Å
275	V	98.6	Very high	96.7	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	102.6	-179.7	-169.5	0	0	0	0	109.8	V242 V243 P244 F245 V273 D277 L303 T305 A318	V242-V275 HydrophobicContact CG1-CG2 4.06Å; V243-V275 PolarHBondContact O-N 2.95Å; P244-V275 CarbonylContact C-O 3.51Å; P244-V275 WeakPolarHBondContact CA-O 3.27Å; F245-V275 WeakPolarHBondContact CD1-O 3.3Å; F245-V275 PolarHBondContact N-O 2.78Å; V273-V275 HydrophobicContact CG1-CG2 3.97Å; V273-V275 PolarHBondContact O-N 3.03Å; V275-D277 PolarHBondContact O-N 3.18Å; V275-L303 WeakPolarHBondContact CA-O 3.43Å; V275-L303 HydrophobicContact CG1-CD2 4.22Å; V275-L303 HydrophobicContact CG2-CD2 4.34Å; V275-T305 HydrophobicContact CG1-CG2 3.81Å; V275-A318 HydrophobicContact CB-CB 4.44Å; V275-A318 HydrophobicContact CG1-CB 3.93Å; V275-A318 WeakPolarHBondContact CG1-O 3.38Å
276	D	98.1	Very high	96.8	Very high	10 Å²	10	43.5 Å²	43.5	5%	0.053	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	111.9	173.8	-175.5	9.1	0	0	0	109.9	F245 A278 S279 L303 R304 T305	F245-D276 HydrophobicContact CE1-CB 3.74Å; F245-D276 HydrophobicContact CE2-CB 3.85Å; F245-D276 HydrophobicContact CZ-CB 3.35Å; D276-A278 PolarHBondContact O-N 2.91Å; D276-S279 WeakPolarHBondContact OD1-CA 3.2Å; D276-S279 WeakPolarHBondContact OD1-CB 3.39Å; D276-S279 PolarHBondContact OD1-N 2.89Å; D276-S279 PolarHBondContact OD1-OG 3.17Å; D276-L303 PolarHBondContact N-O 3.42Å; D276-R304 WeakPolarHBondContact OD2-CD 3.04Å; D276-R304 IonicContact OD2-CZ 4Å; D276-R304 IonicContact OD2-NE 3.94Å; D276-R304 IonicContact OD2-NH1 2.79Å; D276-R304 PolarHBondContact OD2-NH1 2.88Å; D276-T305 WeakPolarHBondContact O-CA 3.38Å; D276-T305 PolarHBondContact O-N 2.87Å; D276-T305 VanDerWaalsContact O-O 3.08Å; D276-T305 PolarHBondContact O-OG1 3.07Å
277	D	95.7	Very high	96.9	Very high	4 Å²	4	40.1 Å²	40.1	2%	0.021	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	71.7	176.1	-179.5	28.9	0	0	0	110.3	F245 H246 V275 S279 R312 E313 G314 A318	F245-D277 PolarHBondContact O-N 3.34Å; H246-D277 HydrophobicContact CB-CB 4.33Å; H246-D277 PolarHBondContact ND1-O 2.97Å; V275-D277 PolarHBondContact O-N 3.18Å; D277-S279 PolarHBondContact O-N 3.45Å; D277-R312 WeakPolarHBondContact O-CB 3.47Å; D277-R312 WeakPolarHBondContact OD1-CA 3.39Å; D277-R312 IonicContact OD2-NE 3.5Å; D277-E313 PolarHBondContact OD1-N 2.88Å; D277-G314 PolarHBondContact OD1-N 3.4Å; D277-G314 WeakPolarHBondContact OD2-CA 3.42Å; D277-G314 PolarHBondContact OD2-N 3.04Å; D277-A318 HydrophobicContact CB-CB 4.07Å
278	A	94.6	Very high	97.1	Very high	20 Å²	20	34.5 Å²	34.5	17%	0.165	19%	0.193	C	C	.	.	S	Bend	trans	52	50.5	178.4	0	0	0	0	0	114.4	H246 D276 T305 M306 R312	H246-A278 PolarHBondContact CE1-O 3.4Å; H246-A278 VanDerWaalsContact CE1-O 3.26Å; H246-A278 PolarHBondContact ND1-O 3.47Å; D276-A278 PolarHBondContact O-N 2.91Å; A278-T305 PolarHBondContact N-O 3.16Å; A278-M306 HydrophobicContact CB-CB 4.05Å; A278-R312 HydrophobicContact CB-CB 4.18Å
279	S	95.2	Very high	97.1	Very high	24 Å²	24	37.5 Å²	37.5	17%	0.168	21%	0.209	C	C	.	.			trans	-61.4	144.1	172.4	-64.2	0	0	0	0	112.3	H246 N247 D276 D277	H246-S279 WeakPolarHBondContact CA-OG 3.3Å; N247-S279 PolarHBondContact N-OG 2.89Å; D276-S279 WeakPolarHBondContact OD1-CA 3.2Å; D276-S279 WeakPolarHBondContact OD1-CB 3.39Å; D276-S279 PolarHBondContact OD1-N 2.89Å; D276-S279 PolarHBondContact OD1-OG 3.17Å; D277-S279 PolarHBondContact O-N 3.45Å
280	T	93.2	Very high	97.1	Very high	111 Å²	111	40.8 Å²	40.8	68%	0.681	22%	0.224	S	C	*	.			trans	-107.9	-13.6	179.8	54.6	0	0	0	0	113.2	N247 P282	N247-T280 PolarHBondContact ND2-OG1 3.11Å; N247-T280 PolarHBondContact OD1-N 3.31Å; N247-T280 PolarHBondContact OD1-OG1 2.87Å; N247-T280 VanDerWaalsContact OD1-OG1 3.11Å; T280-P282 WeakPolarHBondContact O-CD 3.23Å
281	K	94.7	Very high	97.1	Very high	32 Å²	32	37.9 Å²	37.9	14%	0.139	21%	0.21	C	C	.	.			trans	-65.9	119.3	175.6	-81.3	179.4	174.8	179.5	0	110.8	N203 N247 E283 L284	N203-K281 PolarHBondContact OD1-NZ 2.95Å; N247-K281 HydrophobicContact CB-CD 4.17Å; N247-K281 HydrophobicContact CB-CG 4.39Å; N247-K281 VanDerWaalsContact O-CE 3.31Å; N247-K281 WeakPolarHBondContact O-CE 3.39Å; N247-K281 PolarHBondContact O-NZ 3.21Å; N247-K281 PolarHBondContact OD1-N 2.74Å; K281-E283 HydrophobicContact CB-CG 4.42Å; K281-E283 WeakPolarHBondContact CD-OE1 3.35Å; K281-E283 PolarHBondContact O-N 3.25Å; K281-L284 HydrophobicContact CB-CB 4.48Å; K281-L284 HydrophobicContact CB-CD1 3.93Å; K281-L284 HydrophobicContact CB-CG 4.01Å; K281-L284 HydrophobicContact CD-CD1 4.28Å; K281-L284 PolarHBondContact O-N 3.44Å
282	P	96.6	Very high	97.1	Very high	104 Å²	104	37.8 Å²	37.8	68%	0.675	21%	0.21	S	C	*	.	G	3₁₀ helix	trans	-56.6	-35.4	-177.1	-27	35.3	0	0	0	114.2	T280 L284 G285 P287	T280-P282 WeakPolarHBondContact O-CD 3.23Å; P282-L284 PolarHBondContact O-N 3.21Å; P282-G285 PolarHBondContact O-N 2.87Å; P282-P287 VanDerWaalsContact O-CD 3.26Å; P282-P287 WeakPolarHBondContact O-CD 3.48Å
283	E	96.7	Very high	97	Very high	63 Å²	63	41.5 Å²	41.5	29%	0.294	24%	0.237	S	C	.	.	G	3₁₀ helix	trans	-65	-22.7	179.5	66.5	-87.9	-156.5	0	0	113.7	L250 K281 G285 L288	L250-E283 HydrophobicContact CB-CB 4.49Å; L250-E283 HydrophobicContact CB-CG 3.99Å; L250-E283 HydrophobicContact CD2-CB 4.1Å; L250-E283 HydrophobicContact CD2-CG 4.5Å; K281-E283 HydrophobicContact CB-CG 4.42Å; K281-E283 WeakPolarHBondContact CD-OE1 3.35Å; K281-E283 PolarHBondContact O-N 3.25Å; E283-G285 VanDerWaalsContact C-N 3.33Å; E283-L288 PolarHBondContact O-N 3.29Å
284	L	97.7	Very high	96.9	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	27%	0.269	C	S	.	.	G	3₁₀ helix	trans	-82.5	-12.9	175.1	-64.3	179.3	0	0	0	112.6	F245 E248 L250 L253 K281 P282 L288 R304	F245-L284 HydrophobicContact CD2-CD1 4.12Å; F245-L284 HydrophobicContact CE2-CB 4.26Å; F245-L284 HydrophobicContact CE2-CD1 4.03Å; F245-L284 HydrophobicContact CE2-CD2 4.24Å; F245-L284 HydrophobicContact CE2-CG 4.42Å; E248-L284 WeakPolarHBondContact O-CD1 3.41Å; L250-L284 HydrophobicContact CB-CD2 4.46Å; L250-L284 HydrophobicContact CD1-CD2 4.27Å; L253-L284 HydrophobicContact CD2-CD2 3.92Å; K281-L284 HydrophobicContact CB-CB 4.48Å; K281-L284 HydrophobicContact CB-CD1 3.93Å; K281-L284 HydrophobicContact CB-CG 4.01Å; K281-L284 HydrophobicContact CD-CD1 4.28Å; K281-L284 PolarHBondContact O-N 3.44Å; P282-L284 PolarHBondContact O-N 3.21Å; L284-L288 WeakPolarHBondContact O-CB 3.36Å; L284-L288 WeakPolarHBondContact O-CD2 3.47Å; L284-R304 PolarHBondContact O-NH1 2.79Å; L284-R304 PolarHBondContact O-NH2 3.25Å
285	G	96.6	Very high	96.8	Very high	22 Å²	22	51.9 Å²	51.9	23%	0.227	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.9	-119.1	175.4	0	0	0	0	0	111.6	P282 E283 L288 D289 R304	P282-G285 PolarHBondContact O-N 2.87Å; E283-G285 VanDerWaalsContact C-N 3.33Å; G285-L288 WeakPolarHBondContact O-CB 3.28Å; G285-L288 PolarHBondContact O-N 3.37Å; G285-L288 VanDerWaalsContact O-N 3.16Å; G285-D289 PolarHBondContact O-N 2.78Å; G285-R304 PolarHBondContact O-NH2 3.17Å
286	K	96.9	Very high	96.6	Very high	146 Å²	146	59.9 Å²	59.9	64%	0.635	32%	0.324	S	S	*	.	H	α-helix	trans	-53.6	-42.6	-177.2	-173.6	179.4	-177.5	-149.8	0	114.4	L288 D289 E290	K286-L288 VanDerWaalsContact C-N 3.31Å; K286-L288 PolarHBondContact O-N 3.49Å; K286-D289 PolarHBondContact O-N 3.2Å; K286-E290 WeakPolarHBondContact CE-OE1 3.42Å; K286-E290 HydrophobicContact CG-CG 4.18Å; K286-E290 IonicContact NZ-OE1 3.51Å; K286-E290 PolarHBondContact NZ-OE1 3.44Å; K286-E290 WeakPolarHBondContact O-CB 3.41Å; K286-E290 WeakPolarHBondContact O-CG 3.45Å; K286-E290 PolarHBondContact O-N 3.05Å
287	P	97.9	Very high	96.5	Very high	57 Å²	57	59.9 Å²	59.9	37%	0.37	32%	0.324	S	S	.	.	H	α-helix	trans	-62.5	-35.2	179.6	-26.2	38.8	0	0	0	113.7	P282 H291	P282-P287 VanDerWaalsContact O-CD 3.26Å; P282-P287 WeakPolarHBondContact O-CD 3.48Å; P287-H291 WeakPolarHBondContact O-CB 3.42Å; P287-H291 PolarHBondContact O-N 2.99Å
288	L	98.4	Very high	96.3	Very high	0 Å²	0	66.7 Å²	66.7	0%	0	36%	0.36	C	S	.	.	H	α-helix	trans	-63.3	-49.5	171.9	174.1	61.9	0	0	0	110.8	F245 L250 L253 L254 E283 L284 G285 K286 E290 H291 L292	F245-L288 HydrophobicContact CZ-CD2 4.01Å; L250-L288 HydrophobicContact CD1-CB 4.2Å; L250-L288 HydrophobicContact CD1-CD1 3.93Å; L253-L288 HydrophobicContact CD2-CD1 4.29Å; L253-L288 HydrophobicContact CD2-CD2 3.89Å; L254-L288 HydrophobicContact CD2-CD1 3.88Å; E283-L288 PolarHBondContact O-N 3.29Å; L284-L288 WeakPolarHBondContact O-CB 3.36Å; L284-L288 WeakPolarHBondContact O-CD2 3.47Å; G285-L288 WeakPolarHBondContact O-CB 3.28Å; G285-L288 PolarHBondContact O-N 3.37Å; G285-L288 VanDerWaalsContact O-N 3.16Å; K286-L288 VanDerWaalsContact C-N 3.31Å; K286-L288 PolarHBondContact O-N 3.49Å; L288-E290 VanDerWaalsContact C-N 3.31Å; L288-E290 PolarHBondContact O-N 3.42Å; L288-H291 WeakPolarHBondContact O-CB 3.2Å; L288-H291 PolarHBondContact O-N 2.65Å; L288-H291 VanDerWaalsContact O-N 3.13Å; L288-L292 HydrophobicContact CD1-CD1 4.25Å; L288-L292 HydrophobicContact CD1-CG 4.2Å; L288-L292 HydrophobicContact CG-CD1 4.31Å; L288-L292 WeakPolarHBondContact O-CG 3.48Å; L288-L292 PolarHBondContact O-N 3.46Å
289	D	97.7	Very high	96.2	Very high	68 Å²	68	68.7 Å²	68.7	36%	0.364	37%	0.368	S	S	.	.	H	α-helix	trans	-62.4	-39.9	-178.8	-56.8	-27.1	0	0	0	111.6	G285 K286 S293 R304	G285-D289 PolarHBondContact O-N 2.78Å; K286-D289 PolarHBondContact O-N 3.2Å; D289-S293 WeakPolarHBondContact O-CB 3.42Å; D289-S293 PolarHBondContact O-N 3.15Å; D289-S293 PolarHBondContact O-OG 3.31Å; D289-R304 IonicContact OD1-CZ 4Å; D289-R304 IonicContact OD1-NH2 3.69Å; D289-R304 PolarHBondContact OD1-NH2 3.27Å; D289-R304 IonicContact OD2-NH2 2.79Å; D289-R304 PolarHBondContact OD2-NH2 3.37Å
290	E	97.7	Very high	96.4	Very high	82 Å²	82	68.2 Å²	68.2	38%	0.383	36%	0.364	S	S	.	.	H	α-helix	trans	-63.9	-43	173.1	-74.4	177.7	157.9	0	0	111.3	K286 L288 L292 S293 M294	K286-E290 WeakPolarHBondContact CE-OE1 3.42Å; K286-E290 HydrophobicContact CG-CG 4.18Å; K286-E290 IonicContact NZ-OE1 3.51Å; K286-E290 PolarHBondContact NZ-OE1 3.44Å; K286-E290 WeakPolarHBondContact O-CB 3.41Å; K286-E290 WeakPolarHBondContact O-CG 3.45Å; K286-E290 PolarHBondContact O-N 3.05Å; L288-E290 VanDerWaalsContact C-N 3.31Å; L288-E290 PolarHBondContact O-N 3.42Å; E290-L292 PolarHBondContact O-N 3.34Å; E290-S293 WeakPolarHBondContact CA-OG 3.4Å; E290-S293 PolarHBondContact O-N 3.04Å; E290-S293 PolarHBondContact O-OG 2.81Å; E290-S293 VanDerWaalsContact O-OG 3.07Å; E290-M294 HydrophobicContact CB-CE 4.26Å; E290-M294 VanDerWaalsContact O-CB 3.26Å; E290-M294 WeakPolarHBondContact O-CB 3.45Å; E290-M294 WeakPolarHBondContact O-CE 3.35Å; E290-M294 WeakPolarHBondContact O-CG 3.4Å; E290-M294 PolarHBondContact O-N 2.94Å
291	H	97.9	Very high	96.6	Very high	39 Å²	39	67 Å²	67	18%	0.181	35%	0.347	C	S	.	.	H	α-helix	trans	-60.3	-47.5	177.2	-172.6	96.9	0	0	0	111.5	Y258 P287 L288 N295	Y258-H291 AromaticContact CE2-NE2 3.6Å; Y258-H291 AromaticContact CZ-NE2 3.76Å; Y258-H291 PolarHBondContact OH-NE2 3.29Å; P287-H291 WeakPolarHBondContact O-CB 3.42Å; P287-H291 PolarHBondContact O-N 2.99Å; L288-H291 WeakPolarHBondContact O-CB 3.2Å; L288-H291 PolarHBondContact O-N 2.65Å; L288-H291 VanDerWaalsContact O-N 3.13Å; H291-N295 PolarHBondContact NE2-ND2 2.92Å; H291-N295 WeakPolarHBondContact O-CB 3.47Å; H291-N295 PolarHBondContact O-N 3.14Å; H291-N295 VanDerWaalsContact O-N 3.12Å; H291-N295 PolarHBondContact O-ND2 3.02Å
292	L	97.8	Very high	96.7	Very high	11 Å²	11	67.1 Å²	67.1	6%	0.058	35%	0.35	C	S	.	.	H	α-helix	trans	-62.7	-46.1	-179.9	-63.6	177.8	0	0	0	111.7	L254 L274 L288 E290 N295 K296 M297 V300 V302	L254-L292 HydrophobicContact CD2-CD2 4.41Å; L274-L292 HydrophobicContact CD1-CD1 4.32Å; L288-L292 HydrophobicContact CD1-CD1 4.25Å; L288-L292 HydrophobicContact CD1-CG 4.2Å; L288-L292 HydrophobicContact CG-CD1 4.31Å; L288-L292 WeakPolarHBondContact O-CG 3.48Å; L288-L292 PolarHBondContact O-N 3.46Å; E290-L292 PolarHBondContact O-N 3.34Å; L292-N295 PolarHBondContact O-N 3.45Å; L292-K296 PolarHBondContact O-N 2.87Å; L292-M297 HydrophobicContact CB-CB 4.43Å; L292-M297 HydrophobicContact CD2-CB 4.27Å; L292-M297 HydrophobicContact CD2-CG 4.46Å; L292-M297 HydrophobicContact CD2-SD 3.46Å; L292-M297 WeakPolarHBondContact CD2-SD 2.97Å; L292-M297 PolarHBondContact O-N 3.03Å; L292-V300 HydrophobicContact CD1-CG1 3.99Å; L292-V300 HydrophobicContact CD2-CB 4.34Å; L292-V300 HydrophobicContact CD2-CG1 3.99Å; L292-V302 HydrophobicContact CD1-CG2 3.38Å
293	S	96.8	Very high	96.8	Very high	79 Å²	79	64.2 Å²	64.2	55%	0.552	33%	0.329	S	S	*	.	H	α-helix	trans	-68.3	-44.2	-179.9	53.5	0	0	0	0	113	D289 E290 N295 K296	D289-S293 WeakPolarHBondContact O-CB 3.42Å; D289-S293 PolarHBondContact O-N 3.15Å; D289-S293 PolarHBondContact O-OG 3.31Å; E290-S293 WeakPolarHBondContact CA-OG 3.4Å; E290-S293 PolarHBondContact O-N 3.04Å; E290-S293 PolarHBondContact O-OG 2.81Å; E290-S293 VanDerWaalsContact O-OG 3.07Å; S293-N295 VanDerWaalsContact C-N 3.27Å; S293-N295 PolarHBondContact O-N 2.83Å; S293-K296 PolarHBondContact O-N 2.9Å; S293-K296 VanDerWaalsContact O-N 3.11Å
294	M	97.2	Very high	96.8	Very high	140 Å²	140	65.3 Å²	65.3	69%	0.69	33%	0.33	S	S	*	.	H	α-helix	trans	-63.6	-32.4	177.8	-72.3	-171.7	-60.8	0	0	112.7	E290 K296	E290-M294 HydrophobicContact CB-CE 4.26Å; E290-M294 VanDerWaalsContact O-CB 3.26Å; E290-M294 WeakPolarHBondContact O-CB 3.45Å; E290-M294 WeakPolarHBondContact O-CE 3.35Å; E290-M294 WeakPolarHBondContact O-CG 3.4Å; E290-M294 PolarHBondContact O-N 2.94Å; M294-K296 VanDerWaalsContact C-N 3.31Å
295	N	96.9	Very high	96.7	Very high	78 Å²	78	66 Å²	66	42%	0.417	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89	6.7	177.4	-70.7	-88.1	0	0	0	113.4	Y258 H291 L292 S293 M297	Y258-N295 PolarHBondContact OH-OD1 3.01Å; H291-N295 PolarHBondContact NE2-ND2 2.92Å; H291-N295 WeakPolarHBondContact O-CB 3.47Å; H291-N295 PolarHBondContact O-N 3.14Å; H291-N295 VanDerWaalsContact O-N 3.12Å; H291-N295 PolarHBondContact O-ND2 3.02Å; L292-N295 PolarHBondContact O-N 3.45Å; S293-N295 VanDerWaalsContact C-N 3.27Å; S293-N295 PolarHBondContact O-N 2.83Å; N295-M297 VanDerWaalsContact C-N 3.3Å; N295-M297 HydrophobicContact CB-CE 4.01Å; N295-M297 HydrophobicContact CB-CG 4.1Å; N295-M297 PolarHBondContact O-N 3.49Å
296	K	94.6	Very high	96.4	Very high	167 Å²	167	70.8 Å²	70.8	73%	0.726	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	54	43.7	179.2	-54.5	-177.5	-179.6	-177.1	0	113.1	L292 S293 M294 D298	L292-K296 PolarHBondContact O-N 2.87Å; S293-K296 PolarHBondContact O-N 2.9Å; S293-K296 VanDerWaalsContact O-N 3.11Å; M294-K296 VanDerWaalsContact C-N 3.31Å; K296-D298 PolarHBondContact O-N 2.74Å
297	M	95.3	Very high	95.8	Very high	10 Å²	10	64.3 Å²	64.3	5%	0.049	33%	0.328	C	S	.	.			trans	-84.1	60.7	177.4	-62.3	-170	173.7	0	0	110.9	V257 Y258 L261 L292 N295 N299 V300	V257-M297 HydrophobicContact CG1-SD 4.14Å; Y258-M297 HydrophobicContact CD1-CE 4.12Å; Y258-M297 HydrophobicContact CD2-CE 4.1Å; Y258-M297 HydrophobicContact CE1-CE 3.48Å; Y258-M297 VanDerWaalsContact CE1-CE 3.48Å; Y258-M297 HydrophobicContact CE2-CE 3.48Å; Y258-M297 VanDerWaalsContact CE2-CE 3.48Å; Y258-M297 HydrophobicContact CG-CE 4.38Å; Y258-M297 VanDerWaalsContact OH-CE 3.25Å; Y258-M297 WeakPolarHBondContact OH-CE 3.21Å; L261-M297 HydrophobicContact CD1-CE 4.23Å; L261-M297 HydrophobicContact CD1-CG 4.18Å; L261-M297 HydrophobicContact CD1-SD 3.9Å; L292-M297 HydrophobicContact CB-CB 4.43Å; L292-M297 HydrophobicContact CD2-CB 4.27Å; L292-M297 HydrophobicContact CD2-CG 4.46Å; L292-M297 HydrophobicContact CD2-SD 3.46Å; L292-M297 WeakPolarHBondContact CD2-SD 2.97Å; L292-M297 PolarHBondContact O-N 3.03Å; N295-M297 VanDerWaalsContact C-N 3.3Å; N295-M297 HydrophobicContact CB-CE 4.01Å; N295-M297 HydrophobicContact CB-CG 4.1Å; N295-M297 PolarHBondContact O-N 3.49Å; M297-N299 PolarHBondContact O-N 3.26Å; M297-V300 HydrophobicContact CB-CB 4.13Å; M297-V300 HydrophobicContact CB-CG2 3.87Å; M297-V300 PolarHBondContact O-N 3.2Å; M297-V300 HydrophobicContact SD-CG2 4.44Å
298	D	91.9	Very high	95	Very high	148 Å²	148	67.4 Å²	67.4	79%	0.791	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.5	-21	-170.3	-60.1	-30.5	0	0	0	113.3	K296 V300	K296-D298 PolarHBondContact O-N 2.74Å; D298-V300 VanDerWaalsContact C-N 3.32Å
299	N	93	Very high	94.2	Very high	61 Å²	61	72.8 Å²	72.8	33%	0.326	39%	0.387	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.2	5.1	174.3	65.5	-19.2	0	0	0	113.7	L261 E271 V272 M297	L261-N299 WeakPolarHBondContact CD2-ND2 3.39Å; L261-N299 VanDerWaalsContact CD2-OD1 3.23Å; L261-N299 WeakPolarHBondContact CD2-OD1 3.46Å; E271-N299 CarbonylContact C-O 3.02Å; E271-N299 VanDerWaalsContact CA-O 3.27Å; E271-N299 WeakPolarHBondContact CA-O 3.47Å; E271-N299 WeakPolarHBondContact CB-O 3.45Å; V272-N299 PolarHBondContact N-O 3.18Å; M297-N299 PolarHBondContact O-N 3.26Å
300	V	98.3	Very high	93.6	Very high	14 Å²	14	71.8 Å²	71.8	9%	0.085	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	118.4	174.3	-174.4	0	0	0	0	109.1	V257 L261 V272 L274 L292 M297 D298	V257-V300 HydrophobicContact CG1-CG1 4.23Å; V257-V300 HydrophobicContact CG1-CG2 3.72Å; L261-V300 HydrophobicContact CD1-CG2 3.79Å; L261-V300 HydrophobicContact CD2-CG2 3.92Å; L261-V300 HydrophobicContact CG-CG2 4.23Å; V272-V300 HydrophobicContact CB-CG1 4.43Å; V272-V300 HydrophobicContact CB-CG2 4.25Å; V272-V300 WeakPolarHBondContact O-CA 3.22Å; L274-V300 HydrophobicContact CD1-CG1 3.74Å; L274-V300 HydrophobicContact CG-CG1 3.86Å; L292-V300 HydrophobicContact CD1-CG1 3.99Å; L292-V300 HydrophobicContact CD2-CB 4.34Å; L292-V300 HydrophobicContact CD2-CG1 3.99Å; M297-V300 HydrophobicContact CB-CB 4.13Å; M297-V300 HydrophobicContact CB-CG2 3.87Å; M297-V300 PolarHBondContact O-N 3.2Å; M297-V300 HydrophobicContact SD-CG2 4.44Å; D298-V300 VanDerWaalsContact C-N 3.32Å
301	R	97	Very high	93	Very high	85 Å²	85	74.2 Å²	74.2	32%	0.321	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	128.7	-179.6	176.7	167.6	51.9	151.8	2.4	110.3	E271 V272 V273 L274 V325	E271-R301 IonicContact OE1-CZ 3.41Å; E271-R301 IonicContact OE1-NH2 3.76Å; E271-R301 PolarHBondContact OE1-NH2 2.84Å; E271-R301 IonicContact OE2-CZ 3.31Å; E271-R301 IonicContact OE2-NE 2.79Å; E271-R301 PolarHBondContact OE2-NE 3.32Å; E271-R301 IonicContact OE2-NH2 3.83Å; E271-R301 PolarHBondContact OE2-NH2 2.97Å; V272-R301 PolarHBondContact O-N 3.06Å; V273-R301 CarbonylContact C-O 3.56Å; V273-R301 WeakPolarHBondContact CA-O 3.35Å; L274-R301 PolarHBondContact N-O 3.46Å; R301-V325 PolarHBondContact NH1-O 3.42Å; R301-V325 PolarHBondContact NH2-O 2.8Å
302	V	98.4	Very high	92.7	Very high	35 Å²	35	75.5 Å²	75.5	21%	0.212	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	115.2	173.7	-168.9	0	0	0	0	109.9	L274 L292 R304	L274-V302 HydrophobicContact CB-CG2 4.37Å; L274-V302 HydrophobicContact CD1-CG2 4.35Å; L274-V302 CarbonylContact O-C 3.45Å; L274-V302 WeakPolarHBondContact O-CA 3.26Å; L292-V302 HydrophobicContact CD1-CG2 3.38Å; V302-R304 HydrophobicContact CG1-CG 4.43Å; V302-R304 VanDerWaalsContact CG1-NE 3.29Å
303	L	98.1	Very high	92.3	Very high	44 Å²	44	77.2 Å²	77.2	23%	0.23	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	107.4	171.9	-178.2	69	0	0	0	109	V273 L274 V275 D276 T305 N321 V325	V273-L303 HydrophobicContact CG1-CB 4.36Å; L274-L303 PolarHBondContact O-N 2.79Å; V275-L303 WeakPolarHBondContact CA-O 3.43Å; V275-L303 HydrophobicContact CG1-CD2 4.22Å; V275-L303 HydrophobicContact CG2-CD2 4.34Å; D276-L303 PolarHBondContact N-O 3.42Å; L303-T305 HydrophobicContact CD2-CG2 3.88Å; L303-T305 HydrophobicContact CG-CG2 3.78Å; L303-N321 HydrophobicContact CD2-CB 4.1Å; L303-V325 HydrophobicContact CD1-CG1 4.47Å; L303-V325 HydrophobicContact CD2-CG1 4.35Å; L303-V325 HydrophobicContact CD2-CG2 3.92Å
304	R	97.1	Very high	92.1	Very high	85 Å²	85	73.4 Å²	73.4	32%	0.321	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	116.7	175.7	-54.2	-62.7	-175.5	161.6	-4.8	109.8	D276 L284 G285 D289 V302	D276-R304 WeakPolarHBondContact OD2-CD 3.04Å; D276-R304 IonicContact OD2-CZ 4Å; D276-R304 IonicContact OD2-NE 3.94Å; D276-R304 IonicContact OD2-NH1 2.79Å; D276-R304 PolarHBondContact OD2-NH1 2.88Å; L284-R304 PolarHBondContact O-NH1 2.79Å; L284-R304 PolarHBondContact O-NH2 3.25Å; G285-R304 PolarHBondContact O-NH2 3.17Å; D289-R304 IonicContact OD1-CZ 4Å; D289-R304 IonicContact OD1-NH2 3.69Å; D289-R304 PolarHBondContact OD1-NH2 3.27Å; D289-R304 IonicContact OD2-NH2 2.79Å; D289-R304 PolarHBondContact OD2-NH2 3.37Å; V302-R304 HydrophobicContact CG1-CG 4.43Å; V302-R304 VanDerWaalsContact CG1-NE 3.29Å
305	T	94.6	Very high	92	Very high	15 Å²	15	68.7 Å²	68.7	9%	0.092	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	143.5	-179.2	63.1	0	0	0	0	110.7	V275 D276 A278 L303 N321	V275-T305 HydrophobicContact CG1-CG2 3.81Å; D276-T305 WeakPolarHBondContact O-CA 3.38Å; D276-T305 PolarHBondContact O-N 2.87Å; D276-T305 VanDerWaalsContact O-O 3.08Å; D276-T305 PolarHBondContact O-OG1 3.07Å; A278-T305 PolarHBondContact N-O 3.16Å; L303-T305 HydrophobicContact CD2-CG2 3.88Å; L303-T305 HydrophobicContact CG-CG2 3.78Å; T305-N321 HydrophobicContact CG2-CB 4Å
306	M	90.4	Very high	91.9	Very high	122 Å²	122	65 Å²	65	60%	0.601	34%	0.344	S	S	*	.			trans	-153.2	147	173.4	66.5	-173.4	80.7	0	0	109	A278	A278-M306 HydrophobicContact CB-CB 4.05Å
307	G	83.9	Confident	92	Very high	11 Å²	11	59.9 Å²	59.9	11%	0.113	32%	0.32	C	S	.	.			trans	-69.6	169.9	175.4	0	0	0	0	0	112.2	N309 G310 K311	G307-N309 PolarHBondContact O-N 2.83Å; G307-G310 PolarHBondContact O-N 2.92Å; G307-K311 WeakPolarHBondContact CA-O 3.37Å; G307-K311 PolarHBondContact N-O 3.48Å
308	A	82.2	Confident	92	Very high	122 Å²	122	59.4 Å²	59.4	100%	1.008	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.2	-21.4	-175.7	0	0	0	0	0	115
309	N	81.9	Confident	92.3	Very high	113 Å²	113	52.4 Å²	52.4	60%	0.604	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.7	13.6	177.1	62	-0.4	0	0	0	113.4	G307 K311	G307-N309 PolarHBondContact O-N 2.83Å; N309-K311 PolarHBondContact O-N 3.13Å; N309-K311 WeakPolarHBondContact OD1-CB 3.44Å; N309-K311 WeakPolarHBondContact OD1-CG 3.46Å; N309-K311 PolarHBondContact OD1-N 3.46Å
310	G	83.9	Confident	92.5	Very high	47 Å²	47	49.5 Å²	49.5	49%	0.485	27%	0.265	S	S	.	.	S	Bend	trans	71	9.6	-175.1	0	0	0	0	0	114.3	G307	G307-G310 PolarHBondContact O-N 2.92Å
311	K	86.2	Confident	92.5	Very high	133 Å²	133	50.3 Å²	50.3	58%	0.578	27%	0.268	S	S	*	.	S	Bend	trans	-98.6	162.3	177.9	-53.7	-171.5	-174.2	-173.8	0	111.2	G307 N309	G307-K311 WeakPolarHBondContact CA-O 3.37Å; G307-K311 PolarHBondContact N-O 3.48Å; N309-K311 PolarHBondContact O-N 3.13Å; N309-K311 WeakPolarHBondContact OD1-CB 3.44Å; N309-K311 WeakPolarHBondContact OD1-CG 3.46Å; N309-K311 PolarHBondContact OD1-N 3.46Å
312	R	90.6	Very high	92.6	Very high	65 Å²	65	46.2 Å²	46.2	25%	0.245	25%	0.253	C	S	.	.			trans	-57	140.5	174.9	65.4	176.2	-74	-99.2	3.3	112.9	D277 A278 I437	D277-R312 WeakPolarHBondContact O-CB 3.47Å; D277-R312 WeakPolarHBondContact OD1-CA 3.39Å; D277-R312 IonicContact OD2-NE 3.5Å; A278-R312 HydrophobicContact CB-CB 4.18Å; R312-I437 VanDerWaalsContact NH2-CG2 3.32Å
313	E	90.4	Very high	92.6	Very high	47 Å²	47	44.7 Å²	44.7	22%	0.22	24%	0.244	C	C	.	.			trans	-89.1	-30.2	178.6	-63.6	-161.1	103.1	0	0	112.5	D277 R317 N321	D277-E313 PolarHBondContact OD1-N 2.88Å; E313-R317 HydrophobicContact CB-CB 3.87Å; E313-R317 HydrophobicContact CB-CG 4.49Å; E313-N321 PolarHBondContact OE2-ND2 3.44Å
314	G	93	Very high	92.5	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	25%	0.252	C	S	.	.	B	Isolated β-bridge	trans	115.8	156.9	-177.6	0	0	0	0	0	114.7	D277 I316 R317 A318 I437	D277-G314 PolarHBondContact OD1-N 3.4Å; D277-G314 WeakPolarHBondContact OD2-CA 3.42Å; D277-G314 PolarHBondContact OD2-N 3.04Å; G314-I316 PolarHBondContact O-N 2.73Å; G314-R317 PolarHBondContact O-N 2.77Å; G314-A318 WeakPolarHBondContact O-CB 3.45Å; G314-A318 PolarHBondContact O-N 2.98Å; G314-I437 CarbonylContact C-O 3.56Å
315	L	93.8	Very high	92.6	Very high	41 Å²	41	45.1 Å²	45.1	22%	0.215	25%	0.25	C	S	.	.	H	α-helix	trans	-49	-46.1	177	175.4	67.3	0	0	0	111.8	P244 A318 R319 I437 W438	P244-L315 HydrophobicContact CB-CD1 3.89Å; P244-L315 HydrophobicContact CG-CD1 3.39Å; L315-A318 PolarHBondContact O-N 2.79Å; L315-R319 HydrophobicContact CD1-CG 4.47Å; L315-R319 WeakPolarHBondContact O-CG 3.21Å; L315-R319 PolarHBondContact O-N 3.12Å; L315-I437 VanDerWaalsContact CB-O 3.3Å; L315-I437 WeakPolarHBondContact CB-O 3.5Å; L315-I437 PolarHBondContact N-O 2.9Å; L315-W438 HydrophobicContact CB-CB 4.43Å; L315-W438 HydrophobicContact CD2-CB 4.27Å
316	I	95.5	Very high	92.7	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-62.8	-47.8	-174.9	-60.3	167.6	0	0	0	110.7	G314 R319 V320 Y431 L435 I437 E441	G314-I316 PolarHBondContact O-N 2.73Å; I316-R319 PolarHBondContact O-N 3.46Å; I316-V320 WeakPolarHBondContact O-CG2 3.47Å; I316-V320 PolarHBondContact O-N 3.36Å; I316-V320 VanDerWaalsContact O-N 3.1Å; I316-Y431 HydrophobicContact CG2-CD2 4.24Å; I316-Y431 HydrophobicContact CG2-CG 3.98Å; I316-L435 HydrophobicContact CD1-CB 3.47Å; I316-L435 VanDerWaalsContact CD1-CB 3.47Å; I316-L435 HydrophobicContact CD1-CD1 4.35Å; I316-L435 HydrophobicContact CG2-CB 4.29Å; I316-I437 PolarHBondContact N-O 2.84Å; I316-E441 HydrophobicContact CD1-CB 3.84Å; I316-E441 HydrophobicContact CD1-CG 4.31Å; I316-E441 HydrophobicContact CG1-CB 3.86Å; I316-E441 HydrophobicContact CG1-CG 3.98Å
317	R	95.8	Very high	93.1	Very high	59 Å²	59	43.4 Å²	43.4	22%	0.223	24%	0.244	C	C	.	.	H	α-helix	trans	-71	-37.4	178	-72.3	176.1	-178.1	154.3	-1.9	112.1	E313 G314 R319 V320 N321 E433 E434	E313-R317 HydrophobicContact CB-CB 3.87Å; E313-R317 HydrophobicContact CB-CG 4.49Å; G314-R317 PolarHBondContact O-N 2.77Å; R317-R319 VanDerWaalsContact C-N 3.31Å; R317-R319 PolarHBondContact O-N 3.28Å; R317-V320 CarbonylContact O-C 3.57Å; R317-V320 PolarHBondContact O-N 2.88Å; R317-V320 VanDerWaalsContact O-N 3.13Å; R317-N321 WeakPolarHBondContact O-CB 3.41Å; R317-N321 PolarHBondContact O-N 3.39Å; R317-N321 PolarHBondContact O-ND2 2.89Å; R317-E433 VanDerWaalsContact CZ-O 3.25Å; R317-E433 PolarHBondContact NE-O 2.67Å; R317-E433 PolarHBondContact NH2-O 2.69Å; R317-E434 IonicContact NH2-OE1 3.53Å
318	A	97	Very high	93.8	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-57.4	-45.3	173.6	0	0	0	0	0	111.3	P244 V275 D277 G314 L315 V320 N321 G322	P244-A318 HydrophobicContact CB-CB 3.74Å; V275-A318 HydrophobicContact CB-CB 4.44Å; V275-A318 HydrophobicContact CG1-CB 3.93Å; V275-A318 WeakPolarHBondContact CG1-O 3.38Å; D277-A318 HydrophobicContact CB-CB 4.07Å; G314-A318 WeakPolarHBondContact O-CB 3.45Å; G314-A318 PolarHBondContact O-N 2.98Å; L315-A318 PolarHBondContact O-N 2.79Å; A318-V320 PolarHBondContact O-N 3.2Å; A318-N321 PolarHBondContact O-N 2.87Å; A318-G322 PolarHBondContact O-N 2.7Å
319	R	97.7	Very high	94.5	Very high	1 Å²	1	40.8 Å²	40.8	0%	0.004	21%	0.21	C	C	.	.	H	α-helix	trans	-60.1	-46.1	173.5	-71.3	178	175.7	-147.3	-5.1	111.9	P244 L315 I316 R317 N321 G322 A323 F333 D335 G415 G416 Y431	P244-R319 HydrophobicContact CB-CG 4.26Å; P244-R319 HydrophobicContact CG-CG 3.72Å; L315-R319 HydrophobicContact CD1-CG 4.47Å; L315-R319 WeakPolarHBondContact O-CG 3.21Å; L315-R319 PolarHBondContact O-N 3.12Å; I316-R319 PolarHBondContact O-N 3.46Å; R317-R319 VanDerWaalsContact C-N 3.31Å; R317-R319 PolarHBondContact O-N 3.28Å; R319-N321 VanDerWaalsContact C-N 3.33Å; R319-N321 PolarHBondContact O-N 2.86Å; R319-G322 PolarHBondContact O-N 2.89Å; R319-A323 WeakPolarHBondContact O-CB 3.44Å; R319-A323 PolarHBondContact O-N 3.4Å; R319-F333 HydrophobicContact CB-CD1 3.81Å; R319-F333 HydrophobicContact CB-CE1 3.75Å; R319-F333 HydrophobicContact CG-CD1 3.83Å; R319-F333 HydrophobicContact CG-CE1 4.3Å; R319-F333 WeakPolarHBondContact O-CE1 3.35Å; R319-D335 IonicContact CZ-OD1 3.22Å; R319-D335 IonicContact NH2-OD1 3.16Å; R319-D335 PolarHBondContact NH2-OD1 2.89Å; R319-G415 PolarHBondContact NH1-O 3.33Å; R319-G416 PolarHBondContact NH2-O 3.09Å; R319-Y431 HydrophobicContact CB-CD2 4.5Å; R319-Y431 HydrophobicContact CB-CE2 4.26Å
320	V	97.7	Very high	95.3	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-61.3	-41.2	176.9	171.2	0	0	0	0	111.9	I316 R317 A318 A323 K324 R430 Y431 E433	I316-V320 WeakPolarHBondContact O-CG2 3.47Å; I316-V320 PolarHBondContact O-N 3.36Å; I316-V320 VanDerWaalsContact O-N 3.1Å; R317-V320 CarbonylContact O-C 3.57Å; R317-V320 PolarHBondContact O-N 2.88Å; R317-V320 VanDerWaalsContact O-N 3.13Å; A318-V320 PolarHBondContact O-N 3.2Å; V320-A323 PolarHBondContact O-N 3.2Å; V320-K324 HydrophobicContact CG1-CD 4.2Å; V320-K324 VanDerWaalsContact O-CG 3.31Å; V320-K324 WeakPolarHBondContact O-CG 3.41Å; V320-K324 PolarHBondContact O-N 3.41Å; V320-R430 HydrophobicContact CG2-CB 4.27Å; V320-Y431 HydrophobicContact CG2-CD2 4.14Å; V320-E433 HydrophobicContact CG1-CG 4.02Å; V320-E433 HydrophobicContact CG2-CG 4.41Å
321	N	97.6	Very high	96.1	Very high	31 Å²	31	33.3 Å²	33.3	17%	0.166	16%	0.159	C	C	.	.	H	α-helix	trans	-66.5	-42.4	179.1	-70.5	-20.3	0	0	0	111.5	L303 T305 E313 R317 A318 R319 K324	L303-N321 HydrophobicContact CD2-CB 4.1Å; T305-N321 HydrophobicContact CG2-CB 4Å; E313-N321 PolarHBondContact OE2-ND2 3.44Å; R317-N321 WeakPolarHBondContact O-CB 3.41Å; R317-N321 PolarHBondContact O-N 3.39Å; R317-N321 PolarHBondContact O-ND2 2.89Å; A318-N321 PolarHBondContact O-N 2.87Å; R319-N321 VanDerWaalsContact C-N 3.33Å; R319-N321 PolarHBondContact O-N 2.86Å; N321-K324 PolarHBondContact O-N 2.9Å
322	G	98.2	Very high	96.7	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-61.6	-44.7	172.2	0	0	0	0	0	112.5	A318 R319 K324 V325 A326	A318-G322 PolarHBondContact O-N 2.7Å; R319-G322 PolarHBondContact O-N 2.89Å; G322-K324 VanDerWaalsContact C-N 3.27Å; G322-K324 PolarHBondContact O-N 3.44Å; G322-V325 WeakPolarHBondContact O-CG2 3.43Å; G322-V325 PolarHBondContact O-N 3.16Å; G322-A326 WeakPolarHBondContact O-CB 3.25Å; G322-A326 PolarHBondContact O-N 3.29Å; G322-A326 VanDerWaalsContact O-N 3.08Å
323	A	98.2	Very high	97	Very high	2 Å²	2	24.1 Å²	24.1	2%	0.017	12%	0.121	C	C	.	.	H	α-helix	trans	-61.1	-32.8	177.3	0	0	0	0	0	113.6	R319 V320 V325 L331 F333 F425	R319-A323 WeakPolarHBondContact O-CB 3.44Å; R319-A323 PolarHBondContact O-N 3.4Å; V320-A323 PolarHBondContact O-N 3.2Å; A323-V325 VanDerWaalsContact C-N 3.31Å; A323-V325 PolarHBondContact O-N 2.93Å; A323-L331 HydrophobicContact CB-CD1 3.67Å; A323-F333 HydrophobicContact CB-CE1 4.21Å; A323-F333 HydrophobicContact CB-CZ 3.89Å; A323-F425 HydrophobicContact CB-CD1 4.07Å; A323-F425 HydrophobicContact CB-CE1 3.72Å
324	K	97.7	Very high	97.4	Very high	91 Å²	91	22 Å²	22	40%	0.396	11%	0.111	S	C	.	.	H	α-helix	trans	-68.5	-27.7	178.7	-77.9	167.9	-178.5	166.7	0	113.1	V320 N321 G322 E433	V320-K324 HydrophobicContact CG1-CD 4.2Å; V320-K324 VanDerWaalsContact O-CG 3.31Å; V320-K324 WeakPolarHBondContact O-CG 3.41Å; V320-K324 PolarHBondContact O-N 3.41Å; N321-K324 PolarHBondContact O-N 2.9Å; G322-K324 VanDerWaalsContact C-N 3.27Å; G322-K324 PolarHBondContact O-N 3.44Å; K324-E433 IonicContact NZ-OE2 2.64Å; K324-E433 PolarHBondContact NZ-OE2 2.86Å
325	V	97.8	Very high	97.6	Very high	47 Å²	47	23.1 Å²	23.1	29%	0.285	12%	0.117	S	C	.	.	H	α-helix	trans	-104.3	-15.3	-176	-57.1	0	0	0	0	113.5	V273 R301 L303 G322 A323	V273-V325 HydrophobicContact CG1-CG2 3.97Å; R301-V325 PolarHBondContact NH1-O 3.42Å; R301-V325 PolarHBondContact NH2-O 2.8Å; L303-V325 HydrophobicContact CD1-CG1 4.47Å; L303-V325 HydrophobicContact CD2-CG1 4.35Å; L303-V325 HydrophobicContact CD2-CG2 3.92Å; G322-V325 WeakPolarHBondContact O-CG2 3.43Å; G322-V325 PolarHBondContact O-N 3.16Å; A323-V325 VanDerWaalsContact C-N 3.31Å; A323-V325 PolarHBondContact O-N 2.93Å
326	A	98.3	Very high	97.8	Very high	6 Å²	6	21.2 Å²	21.2	5%	0.05	11%	0.107	C	C	.	.			trans	-64.7	139.6	-179.4	0	0	0	0	0	112.4	V242 V273 G322 L331	V242-A326 HydrophobicContact CG2-CB 4.46Å; V273-A326 HydrophobicContact CG2-CB 4.43Å; G322-A326 WeakPolarHBondContact O-CB 3.25Å; G322-A326 PolarHBondContact O-N 3.29Å; G322-A326 VanDerWaalsContact O-N 3.08Å; A326-L331 HydrophobicContact CB-CD2 3.48Å; A326-L331 VanDerWaalsContact CB-CD2 3.48Å
327	N	97.9	Very high	97.9	Very high	96 Å²	96	22.4 Å²	22.4	51%	0.513	11%	0.113	S	C	.	.			trans	-99.2	-23.1	-175.5	-64.1	-61.9	0	0	0	114.4	S240 E270 E271	S240-N327 PolarHBondContact OG-N 3.35Å; E270-N327 HydrophobicContact CG-CB 4.24Å; E271-N327 PolarHBondContact OE1-N 3.16Å; E271-N327 PolarHBondContact OE1-ND2 3.29Å
328	G	98.1	Very high	98	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	10%	0.103	C	C	.	.	S	Bend	trans	-62.2	153.5	-176	0	0	0	0	0	113.3	S240 V330 R422	S240-G328 WeakPolarHBondContact OG-CA 3.41Å; S240-G328 PolarHBondContact OG-N 2.77Å; G328-V330 VanDerWaalsContact C-N 3.31Å; G328-R422 VanDerWaalsContact O-CD 3.28Å; G328-R422 WeakPolarHBondContact O-CD 3.37Å; G328-R422 PolarHBondContact O-NE 3.18Å
329	D	98.2	Very high	98	Very high	78 Å²	78	19.9 Å²	19.9	42%	0.417	10%	0.104	S	C	.	.	S	Bend	trans	-66.2	-36.7	176.6	-60.9	-51.8	0	0	0	111.3	P237 S238 R422	P237-D329 HydrophobicContact CB-CB 3.77Å; S238-D329 PolarHBondContact N-OD2 3.38Å; S238-D329 PolarHBondContact O-N 3.1Å; S238-D329 VanDerWaalsContact OG-CG 3.23Å; S238-D329 PolarHBondContact OG-N 3.04Å; S238-D329 PolarHBondContact OG-OD2 2.96Å; D329-R422 VanDerWaalsContact O-CB 3.26Å; D329-R422 WeakPolarHBondContact O-CB 3.44Å; D329-R422 PolarHBondContact O-N 2.93Å
330	V	98.8	Very high	98.1	Very high	1 Å²	1	19.9 Å²	19.9	1%	0.006	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	136.5	175.3	173.5	0	0	0	0	110.3	P237 S238 V239 S240 G328 L349 I352 A419	P237-V330 HydrophobicContact CB-CG2 3.92Å; P237-V330 HydrophobicContact CG-CG2 3.62Å; S238-V330 PolarHBondContact O-N 2.81Å; V239-V330 WeakPolarHBondContact CA-O 3.4Å; V239-V330 HydrophobicContact CG2-CB 4.3Å; S240-V330 PolarHBondContact N-O 3.46Å; G328-V330 VanDerWaalsContact C-N 3.31Å; V330-L349 HydrophobicContact CB-CD2 4.04Å; V330-L349 HydrophobicContact CG1-CD2 3.71Å; V330-L349 HydrophobicContact CG2-CD2 4.21Å; V330-I352 HydrophobicContact CG1-CD1 4Å; V330-I352 HydrophobicContact CG2-CG2 4.06Å; V330-A419 HydrophobicContact CG1-CB 4Å
331	L	98.9	Very high	98	Very high	1 Å²	1	20.5 Å²	20.5	1%	0.005	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	128.5	172	-57.9	178.1	0	0	0	109.2	A323 A326 F333 A419 I420 R422 F425	A323-L331 HydrophobicContact CB-CD1 3.67Å; A326-L331 HydrophobicContact CB-CD2 3.48Å; A326-L331 VanDerWaalsContact CB-CD2 3.48Å; L331-F333 HydrophobicContact CB-CD2 4.48Å; L331-F333 HydrophobicContact CB-CE2 3.85Å; L331-F333 HydrophobicContact CB-CZ 4.23Å; L331-F333 HydrophobicContact CD1-CE2 4.21Å; L331-F333 HydrophobicContact CD1-CZ 3.98Å; L331-A419 CarbonylContact O-C 3.57Å; L331-A419 VanDerWaalsContact O-CA 3.25Å; L331-A419 WeakPolarHBondContact O-CA 3.23Å; L331-I420 HydrophobicContact CB-CG2 4.21Å; L331-I420 PolarHBondContact N-O 2.67Å; L331-I420 PolarHBondContact O-N 3.05Å; L331-R422 HydrophobicContact CD1-CB 4.33Å; L331-R422 HydrophobicContact CD1-CG 4.09Å; L331-R422 HydrophobicContact CD2-CB 4.4Å; L331-R422 HydrophobicContact CD2-CG 4.23Å; L331-R422 HydrophobicContact CG-CB 3.97Å; L331-R422 HydrophobicContact CG-CG 4.09Å; L331-F425 HydrophobicContact CD1-CB 4.5Å; L331-F425 HydrophobicContact CD1-CD1 3.83Å; L331-F425 HydrophobicContact CD1-CG 4.49Å
332	V	98.9	Very high	98	Very high	5 Å²	5	20.1 Å²	20.1	3%	0.03	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	114.5	168.8	177	0	0	0	0	108.8	V239 S240 V241 V242 W344 L345 F418 A419	V239-V332 HydrophobicContact CG1-CB 4.16Å; V239-V332 HydrophobicContact CG1-CG2 3.53Å; S240-V332 PolarHBondContact O-N 2.79Å; V241-V332 CarbonylContact C-O 3.46Å; V241-V332 WeakPolarHBondContact CA-O 3.34Å; V241-V332 HydrophobicContact CG2-CB 4.29Å; V242-V332 PolarHBondContact N-O 2.75Å; V332-W344 HydrophobicContact CG1-CH2 3.97Å; V332-W344 HydrophobicContact CG1-CZ3 3.93Å; V332-L345 HydrophobicContact CG2-CD1 4.04Å; V332-F418 CarbonylContact C-O 3.2Å; V332-F418 WeakPolarHBondContact CA-O 3.47Å; V332-A419 HydrophobicContact CG2-CB 3.77Å
333	F	98.7	Very high	97.9	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	131.8	173.8	-63	-85	0	0	0	109.7	V242 R319 A323 L331 Y417 F418 I420 F425	V242-F333 HydrophobicContact CB-CD1 3.82Å; V242-F333 HydrophobicContact CB-CE1 3.97Å; V242-F333 HydrophobicContact CG1-CD1 3.96Å; V242-F333 HydrophobicContact CG1-CE1 3.96Å; V242-F333 HydrophobicContact CG2-CE1 4.27Å; R319-F333 HydrophobicContact CB-CD1 3.81Å; R319-F333 HydrophobicContact CB-CE1 3.75Å; R319-F333 HydrophobicContact CG-CD1 3.83Å; R319-F333 HydrophobicContact CG-CE1 4.3Å; R319-F333 WeakPolarHBondContact O-CE1 3.35Å; A323-F333 HydrophobicContact CB-CE1 4.21Å; A323-F333 HydrophobicContact CB-CZ 3.89Å; L331-F333 HydrophobicContact CB-CD2 4.48Å; L331-F333 HydrophobicContact CB-CE2 3.85Å; L331-F333 HydrophobicContact CB-CZ 4.23Å; L331-F333 HydrophobicContact CD1-CE2 4.21Å; L331-F333 HydrophobicContact CD1-CZ 3.98Å; F333-Y417 WeakPolarHBondContact O-CA 3.43Å; F333-F418 HydrophobicContact CB-CD1 4.19Å; F333-F418 HydrophobicContact CB-CE1 3.79Å; F333-F418 HydrophobicContact CB-CZ 4.05Å; F333-F418 HydrophobicContact CD2-CD1 4.49Å; F333-F418 AromaticContact CD2-CD2 3.98Å; F333-F418 HydrophobicContact CD2-CD2 3.98Å; F333-F418 AromaticContact CD2-CE1 3.84Å; F333-F418 HydrophobicContact CD2-CE1 3.84Å; F333-F418 AromaticContact CD2-CE2 3.27Å; F333-F418 HydrophobicContact CD2-CE2 3.27Å; F333-F418 AromaticContact CD2-CZ 3.17Å; F333-F418 HydrophobicContact CD2-CZ 3.17Å; F333-F418 AromaticContact CE2-CE2 3.67Å; F333-F418 HydrophobicContact CE2-CE2 3.67Å; F333-F418 AromaticContact CE2-CZ 3.72Å; F333-F418 HydrophobicContact CE2-CZ 3.72Å; F333-F418 HydrophobicContact CG-CE1 4.02Å; F333-F418 HydrophobicContact CG-CE2 4.25Å; F333-F418 AromaticContact CG-CZ 3.75Å; F333-F418 HydrophobicContact CG-CZ 3.75Å; F333-F418 PolarHBondContact N-O 2.96Å; F333-F418 PolarHBondContact O-N 3.19Å; F333-I420 HydrophobicContact CD2-CG2 4.48Å; F333-I420 HydrophobicContact CE2-CG2 3.96Å; F333-F425 HydrophobicContact CE2-CE1 4.34Å; F333-F425 HydrophobicContact CE2-CZ 4.4Å; F333-F425 HydrophobicContact CZ-CD1 4.24Å; F333-F425 AromaticContact CZ-CE1 3.76Å; F333-F425 HydrophobicContact CZ-CE1 3.76Å; F333-F425 HydrophobicContact CZ-CZ 4.02Å
334	M	98	Very high	97.9	Very high	2 Å²	2	20.5 Å²	20.5	1%	0.01	11%	0.109	C	C	.	.			trans	-146.2	139	-177.8	-171.5	179.8	65.7	0	0	110.5	V241 V242 V243 P244 V260 V340 Y417 V464	V241-M334 HydrophobicContact CG1-CB 4.42Å; V241-M334 HydrophobicContact CG1-CE 4.39Å; V242-M334 PolarHBondContact O-N 3.25Å; V242-M334 VanDerWaalsContact O-N 3.16Å; V243-M334 WeakPolarHBondContact CA-O 3.48Å; V243-M334 HydrophobicContact CG2-CE 4.04Å; P244-M334 WeakPolarHBondContact CD-O 3.35Å; V260-M334 HydrophobicContact CG2-CE 3.5Å; V260-M334 HydrophobicContact CG2-SD 4.31Å; M334-V340 HydrophobicContact SD-CG1 3.73Å; M334-Y417 HydrophobicContact CB-CD1 4.3Å; M334-Y417 HydrophobicContact CB-CE1 4.41Å; M334-Y417 HydrophobicContact CG-CD1 3.63Å; M334-Y417 HydrophobicContact CG-CE1 3.41Å; M334-Y417 VanDerWaalsContact CG-CE1 3.41Å; M334-Y417 HydrophobicContact SD-CE1 4.45Å; M334-V464 HydrophobicContact CG-CG1 4.33Å; M334-V464 HydrophobicContact SD-CG1 3.86Å
335	D	97.5	Very high	97.9	Very high	24 Å²	24	16.1 Å²	16.1	13%	0.128	9%	0.09	C	C	.	.			trans	-72	151.2	174.9	-65.4	-26.6	0	0	0	112	R319 H337 S338	R319-D335 IonicContact CZ-OD1 3.22Å; R319-D335 IonicContact NH2-OD1 3.16Å; R319-D335 PolarHBondContact NH2-OD1 2.89Å; D335-H337 PolarHBondContact O-N 3.46Å; D335-H337 VanDerWaalsContact O-N 3.09Å; D335-S338 WeakPolarHBondContact O-CB 3.42Å; D335-S338 PolarHBondContact O-OG 3.39Å
336	A	97.6	Very high	98	Very high	1 Å²	1	13.9 Å²	13.9	1%	0.008	8%	0.076	C	C	.	.	S	Bend	trans	-73.2	2.4	-171	0	0	0	0	0	116.3	V243 F245 E248 L253 S256	V243-A336 HydrophobicContact CG1-CB 3.75Å; F245-A336 HydrophobicContact CB-CB 3.62Å; E248-A336 HydrophobicContact CG-CB 4Å; L253-A336 HydrophobicContact CD1-CB 3.95Å; S256-A336 PolarHBondContact OG-O 3.23Å; S256-A336 VanDerWaalsContact OG-O 3.07Å
337	H	97.4	Very high	97.9	Very high	25 Å²	25	13.7 Å²	13.7	12%	0.116	8%	0.075	C	C	.	.	S	Bend	trans	-123.9	58.7	-179.8	39.7	-90.7	0	0	0	110.6	E248 V252 D335 H466 I467	E248-H337 IonicContact OE2-CE1 3.42Å; E248-H337 IonicContact OE2-CG 2.71Å; E248-H337 IonicContact OE2-ND1 3.68Å; E248-H337 PolarHBondContact OE2-ND1 3.07Å; V252-H337 HydrophobicContact CG1-CB 3.48Å; V252-H337 VanDerWaalsContact CG1-CB 3.48Å; D335-H337 PolarHBondContact O-N 3.46Å; D335-H337 VanDerWaalsContact O-N 3.09Å; H337-H466 AromaticContact CD2-CD2 3.31Å; H337-H466 PolarHBondContact CD2-CD2 3.03Å; H337-H466 AromaticContact CD2-NE2 3.25Å; H337-H466 PolarHBondContact CD2-NE2 3.3Å; H337-H466 AromaticContact NE2-CD2 3.61Å; H337-H466 AromaticContact NE2-NE2 3.12Å; H337-H466 PolarHBondContact NE2-NE2 2.55Å; H337-H466 VanDerWaalsContact NE2-NE2 3.12Å; H337-I467 HydrophobicContact CB-CB 4.22Å; H337-I467 HydrophobicContact CB-CD1 4Å; H337-I467 HydrophobicContact CB-CG1 4.25Å; H337-I467 PolarHBondContact O-N 3.42Å
338	S	98	Very high	98	Very high	2 Å²	2	9.1 Å²	9.1	1%	0.014	5%	0.05	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	157.7	-172	-49	0	0	0	0	113.4	S256 D335 Y417 A465	S256-S338 WeakPolarHBondContact CA-O 3.3Å; S256-S338 WeakPolarHBondContact CB-O 3.13Å; S256-S338 PolarHBondContact OG-N 3.29Å; S256-S338 PolarHBondContact OG-O 2.99Å; D335-S338 WeakPolarHBondContact O-CB 3.42Å; D335-S338 PolarHBondContact O-OG 3.39Å; S338-Y417 VanDerWaalsContact OG-CE1 3.26Å; S338-Y417 WeakPolarHBondContact OG-CE1 3.5Å; S338-Y417 PolarHBondContact OG-OH 3.03Å; S338-A465 CarbonylContact C-O 3.51Å; S338-A465 WeakPolarHBondContact CA-O 3.47Å; S338-A465 WeakPolarHBondContact CB-O 3.33Å
339	E	98.2	Very high	98	Very high	4 Å²	4	9.1 Å²	9.1	2%	0.019	5%	0.05	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	122.4	166.9	-72.1	179.2	-99	0	0	108.8	R217 R255 S259 I367 I374 A465	R217-E339 IonicContact CZ-OE1 2.83Å; R217-E339 IonicContact CZ-OE2 3.78Å; R217-E339 IonicContact NE-OE1 3.53Å; R217-E339 PolarHBondContact NE-OE1 2.77Å; R217-E339 IonicContact NE-OE2 3.49Å; R217-E339 PolarHBondContact NE-OE2 3.21Å; R217-E339 IonicContact NH2-OE1 3.86Å; R217-E339 PolarHBondContact NH2-OE1 2.69Å; R217-E339 IonicContact NH2-OE2 3.22Å; R255-E339 WeakPolarHBondContact CD-OE1 3.41Å; R255-E339 HydrophobicContact CG-CG 3.67Å; S259-E339 WeakPolarHBondContact OG-CA 3.48Å; E339-I367 HydrophobicContact CB-CD1 4.09Å; E339-I367 HydrophobicContact CG-CD1 4.01Å; E339-I374 HydrophobicContact CB-CD1 4.42Å; E339-A465 PolarHBondContact N-O 2.86Å; E339-A465 PolarHBondContact O-N 2.97Å
340	V	98.3	Very high	97.9	Very high	1 Å²	1	6.6 Å²	6.6	1%	0.006	4%	0.036	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	147.8	177.9	-56.2	0	0	0	0	111.7	S259 V260 R263 M334 W344 V464	S259-V340 VanDerWaalsContact C-CG2 3.48Å; S259-V340 WeakPolarHBondContact O-CG2 3.28Å; S259-V340 PolarHBondContact OG-N 3.4Å; V260-V340 HydrophobicContact CG2-CG1 3.94Å; V260-V340 HydrophobicContact CG2-CG2 4.44Å; R263-V340 HydrophobicContact CB-CG2 4Å; R263-V340 WeakPolarHBondContact CD-O 3.45Å; R263-V340 PolarHBondContact NH1-O 2.91Å; M334-V340 HydrophobicContact SD-CG1 3.73Å; V340-W344 HydrophobicContact CB-CB 4.48Å; V340-W344 HydrophobicContact CB-CD2 3.7Å; V340-W344 HydrophobicContact CB-CE3 4.29Å; V340-W344 HydrophobicContact CB-CG 3.74Å; V340-W344 HydrophobicContact CB-CZ2 4.41Å; V340-W344 HydrophobicContact CG1-CD2 3.8Å; V340-W344 HydrophobicContact CG1-CE3 3.97Å; V340-W344 HydrophobicContact CG1-CG 4.39Å; V340-W344 HydrophobicContact CG1-CH2 4.07Å; V340-W344 HydrophobicContact CG1-CZ2 3.92Å; V340-W344 HydrophobicContact CG1-CZ3 4.1Å; V340-W344 HydrophobicContact CG2-CD2 4.25Å; V340-W344 HydrophobicContact CG2-CG 4.18Å; V340-W344 HydrophobicContact CG2-CZ2 4.46Å; V340-V464 HydrophobicContact CG1-CG1 4.2Å; V340-V464 HydrophobicContact CG1-CG2 4.09Å
341	G	96.8	Very high	97.7	Very high	14 Å²	14	6.8 Å²	6.8	14%	0.144	4%	0.037	C	C	.	.			trans	-87.1	-175.8	178.6	0	0	0	0	0	114.4	W344 H463	G341-W344 WeakPolarHBondContact O-CB 3.4Å; G341-H463 PolarHBondContact N-O 2.83Å
342	Y	96.3	Very high	97.6	Very high	22 Å²	22	7 Å²	7	9%	0.086	4%	0.038	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.3	138.5	177.4	-60.7	-62.9	0	0	0	112.1	Q168 D171 T219 D221 R223 W344	Q168-Y342 HydrophobicContact CG-CD1 3.72Å; Q168-Y342 HydrophobicContact CG-CD2 4.47Å; Q168-Y342 HydrophobicContact CG-CE1 3.95Å; Q168-Y342 HydrophobicContact CG-CG 4.02Å; D171-Y342 WeakPolarHBondContact CB-OH 3.34Å; D171-Y342 PolarHBondContact OD2-OH 2.56Å; T219-Y342 VanDerWaalsContact O-CE2 3.26Å; T219-Y342 WeakPolarHBondContact O-CE2 3.49Å; T219-Y342 PolarHBondContact O-OH 2.66Å; D221-Y342 HydrophobicContact CB-CD2 3.92Å; D221-Y342 HydrophobicContact CB-CE2 4.24Å; R223-Y342 VanDerWaalsContact CZ-O 3.3Å; R223-Y342 PolarHBondContact NH1-O 3.15Å; Y342-W344 PolarHBondContact O-N 2.87Å
343	N	96.7	Very high	97.2	Very high	9 Å²	9	8 Å²	8	5%	0.048	4%	0.044	C	C	.	.	T	Hydrogen-bonded Turn	trans	47	39.7	177.2	-171	20	0	0	0	111.8	W162 H163 P346 P347	W162-N343 WeakPolarHBondContact CB-OD1 3.48Å; H163-N343 PolarHBondContact CE1-ND2 3.21Å; H163-N343 WeakPolarHBondContact ND1-CB 3.08Å; H163-N343 PolarHBondContact ND1-ND2 2.85Å; H163-N343 PolarHBondContact NE2-ND2 2.89Å; N343-P346 VanDerWaalsContact OD1-CD 3.3Å; N343-P346 WeakPolarHBondContact OD1-CD 3.08Å; N343-P346 VanDerWaalsContact OD1-CG 3.23Å; N343-P346 WeakPolarHBondContact OD1-CG 3.45Å; N343-P347 WeakPolarHBondContact O-CD 3.31Å; N343-P347 WeakPolarHBondContact O-CG 3.21Å
344	W	98.1	Very high	96.6	Very high	1 Å²	1	13.5 Å²	13.5	0%	0.004	7%	0.07	C	C	.	.			trans	-74	-31.6	-173.8	73.4	-75.8	0	0	0	112.2	V241 V260 S264 V332 V340 G341 Y342 L348 S462 V464	V241-W344 HydrophobicContact CG2-CH2 4.32Å; V260-W344 HydrophobicContact CG1-CZ2 4.45Å; S264-W344 WeakPolarHBondContact OG-CZ2 3.27Å; S264-W344 PolarHBondContact OG-NE1 2.98Å; S264-W344 VanDerWaalsContact OG-NE1 3.11Å; V332-W344 HydrophobicContact CG1-CH2 3.97Å; V332-W344 HydrophobicContact CG1-CZ3 3.93Å; V340-W344 HydrophobicContact CB-CB 4.48Å; V340-W344 HydrophobicContact CB-CD2 3.7Å; V340-W344 HydrophobicContact CB-CE3 4.29Å; V340-W344 HydrophobicContact CB-CG 3.74Å; V340-W344 HydrophobicContact CB-CZ2 4.41Å; V340-W344 HydrophobicContact CG1-CD2 3.8Å; V340-W344 HydrophobicContact CG1-CE3 3.97Å; V340-W344 HydrophobicContact CG1-CG 4.39Å; V340-W344 HydrophobicContact CG1-CH2 4.07Å; V340-W344 HydrophobicContact CG1-CZ2 3.92Å; V340-W344 HydrophobicContact CG1-CZ3 4.1Å; V340-W344 HydrophobicContact CG2-CD2 4.25Å; V340-W344 HydrophobicContact CG2-CG 4.18Å; V340-W344 HydrophobicContact CG2-CZ2 4.46Å; G341-W344 WeakPolarHBondContact O-CB 3.4Å; Y342-W344 PolarHBondContact O-N 2.87Å; W344-L348 HydrophobicContact CE3-CD1 3.89Å; W344-L348 HydrophobicContact CZ3-CD1 3.94Å; W344-S462 WeakPolarHBondContact O-CB 3.4Å; W344-S462 PolarHBondContact O-OG 3.03Å; W344-V464 HydrophobicContact CE3-CG2 3.86Å; W344-V464 HydrophobicContact CZ3-CG2 4.27Å
345	L	98.4	Very high	96.4	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-81	-51.3	-169.6	-172.8	60.2	0	0	0	113.5	V239 L268 V332 P347 L348 L349	V239-L345 HydrophobicContact CB-CD2 4.23Å; V239-L345 HydrophobicContact CG1-CD1 4.16Å; V239-L345 HydrophobicContact CG1-CD2 4.42Å; V239-L345 HydrophobicContact CG2-CD1 4.1Å; V239-L345 HydrophobicContact CG2-CD2 4.06Å; V239-L345 HydrophobicContact CG2-CG 4.34Å; L268-L345 HydrophobicContact CB-CD2 4.06Å; V332-L345 HydrophobicContact CG2-CD1 4.04Å; L345-P347 VanDerWaalsContact C-CD 3.43Å; L345-L348 WeakPolarHBondContact O-CB 3.46Å; L345-L348 PolarHBondContact O-N 3.4Å; L345-L349 HydrophobicContact CD1-CD2 4.32Å; L345-L349 HydrophobicContact CD1-CG 4.35Å; L345-L349 HydrophobicContact CG-CD1 4.11Å; L345-L349 HydrophobicContact CG-CG 4.36Å; L345-L349 PolarHBondContact O-N 3.44Å
346	P	98.1	Very high	96.3	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-53.7	-41.6	-178.7	-27.9	38.5	0	0	0	115.6	W162 Y232 L236 P265 L268 N343 L348 L349 Q350	W162-P346 HydrophobicContact CB-CB 4.02Å; W162-P346 HydrophobicContact CB-CG 3.64Å; W162-P346 HydrophobicContact CD2-CB 4.3Å; W162-P346 HydrophobicContact CD2-CG 3.88Å; W162-P346 HydrophobicContact CE3-CG 4.15Å; W162-P346 HydrophobicContact CG-CB 3.86Å; W162-P346 HydrophobicContact CG-CG 3.7Å; Y232-P346 HydrophobicContact CD2-CB 3.82Å; Y232-P346 HydrophobicContact CE2-CB 4.44Å; Y232-P346 HydrophobicContact CG-CB 4.17Å; L236-P346 HydrophobicContact CD1-CB 3.68Å; L236-P346 HydrophobicContact CD1-CG 4.32Å; P265-P346 HydrophobicContact CG-CG 4.26Å; L268-P346 HydrophobicContact CD1-CG 4.06Å; N343-P346 VanDerWaalsContact OD1-CD 3.3Å; N343-P346 WeakPolarHBondContact OD1-CD 3.08Å; N343-P346 VanDerWaalsContact OD1-CG 3.23Å; N343-P346 WeakPolarHBondContact OD1-CG 3.45Å; P346-L348 PolarHBondContact O-N 3.39Å; P346-L349 PolarHBondContact O-N 2.87Å; P346-L349 VanDerWaalsContact O-N 3.13Å; P346-Q350 PolarHBondContact O-N 3.32Å; P346-Q350 VanDerWaalsContact O-N 3.11Å
347	P	98.2	Very high	96.3	Very high	2 Å²	2	21.3 Å²	21.3	1%	0.013	10%	0.102	C	C	.	.	H	α-helix	trans	-60.4	-30.5	175.4	-16.4	25.3	0	0	0	113.8	Y232 N343 L345 P351 V459 C461	Y232-P347 HydrophobicContact CE1-CB 4.02Å; Y232-P347 HydrophobicContact CE1-CG 4.33Å; Y232-P347 HydrophobicContact CE2-CB 4.45Å; Y232-P347 HydrophobicContact CE2-CG 3.87Å; Y232-P347 WeakPolarHBondContact OH-CG 3.35Å; N343-P347 WeakPolarHBondContact O-CD 3.31Å; N343-P347 WeakPolarHBondContact O-CG 3.21Å; L345-P347 VanDerWaalsContact C-CD 3.43Å; P347-P351 VanDerWaalsContact O-CD 3.24Å; P347-P351 WeakPolarHBondContact O-CD 3.3Å; P347-V459 HydrophobicContact CB-CG1 3.6Å; P347-V459 WeakPolarHBondContact O-CG1 3.17Å; P347-C461 HydrophobicContact CB-CB 4.24Å; P347-C461 HydrophobicContact CG-CB 4.25Å
348	L	98.2	Very high	96.3	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-73.6	-32.5	177.3	-66.6	174.2	0	0	0	112.3	W344 L345 P346 T360 P362 A419 V459 S462	W344-L348 HydrophobicContact CE3-CD1 3.89Å; W344-L348 HydrophobicContact CZ3-CD1 3.94Å; L345-L348 WeakPolarHBondContact O-CB 3.46Å; L345-L348 PolarHBondContact O-N 3.4Å; P346-L348 PolarHBondContact O-N 3.39Å; L348-T360 WeakPolarHBondContact O-CG2 3.21Å; L348-T360 PolarHBondContact O-OG1 3.5Å; L348-P362 HydrophobicContact CD1-CB 4.5Å; L348-P362 HydrophobicContact CD2-CB 4.17Å; L348-A419 HydrophobicContact CB-CB 4.2Å; L348-V459 HydrophobicContact CD2-CB 4.09Å; L348-V459 HydrophobicContact CD2-CG2 4.16Å; L348-S462 WeakPolarHBondContact CD1-OG 3.31Å; L348-S462 VanDerWaalsContact CG-OG 3.3Å; L348-S462 WeakPolarHBondContact CG-OG 3.47Å
349	L	98.4	Very high	96.4	Very high	0 Å²	0	20 Å²	20	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-82.6	-35.4	-174.8	-57	-177.3	0	0	0	112.4	L236 P237 V239 L268 V330 L345 P346 I352 V353	L236-L349 HydrophobicContact CB-CB 4.47Å; L236-L349 HydrophobicContact CB-CD1 3.99Å; L236-L349 HydrophobicContact CD1-CB 4.44Å; L236-L349 HydrophobicContact CD1-CD1 4.41Å; L236-L349 HydrophobicContact CD2-CB 4.1Å; P237-L349 HydrophobicContact CG-CB 4.36Å; P237-L349 HydrophobicContact CG-CD1 4.44Å; P237-L349 HydrophobicContact CG-CD2 4.47Å; V239-L349 HydrophobicContact CG2-CD1 3.68Å; V239-L349 HydrophobicContact CG2-CD2 3.62Å; V239-L349 HydrophobicContact CG2-CG 4.24Å; L268-L349 HydrophobicContact CD1-CD1 4.08Å; V330-L349 HydrophobicContact CB-CD2 4.04Å; V330-L349 HydrophobicContact CG1-CD2 3.71Å; V330-L349 HydrophobicContact CG2-CD2 4.21Å; L345-L349 HydrophobicContact CD1-CD2 4.32Å; L345-L349 HydrophobicContact CD1-CG 4.35Å; L345-L349 HydrophobicContact CG-CD1 4.11Å; L345-L349 HydrophobicContact CG-CG 4.36Å; L345-L349 PolarHBondContact O-N 3.44Å; P346-L349 PolarHBondContact O-N 2.87Å; P346-L349 VanDerWaalsContact O-N 3.13Å; L349-I352 WeakPolarHBondContact O-CA 3.37Å; L349-I352 WeakPolarHBondContact O-CB 3.49Å; L349-I352 PolarHBondContact O-N 3.1Å; L349-V353 PolarHBondContact O-N 3.28Å
350	Q	95.7	Very high	96.4	Very high	24 Å²	24	19.9 Å²	19.9	11%	0.112	10%	0.095	C	C	.	.	H	α-helix	trans	-50	-50.7	-176.9	176.8	69.4	43.1	0	0	113.2	Y232 C233 P346 I352 V353 E354	Y232-Q350 HydrophobicContact CD1-CB 3.66Å; Y232-Q350 HydrophobicContact CD1-CG 3.91Å; Y232-Q350 HydrophobicContact CE1-CB 4.38Å; C233-Q350 PolarHBondContact SG-NE2 3.34Å; C233-Q350 VanDerWaalsContact SG-NE2 3.41Å; C233-Q350 PolarHBondContact SG-OE1 2.93Å; P346-Q350 PolarHBondContact O-N 3.32Å; P346-Q350 VanDerWaalsContact O-N 3.11Å; Q350-I352 PolarHBondContact O-N 2.95Å; Q350-V353 PolarHBondContact O-N 3.05Å; Q350-E354 PolarHBondContact NE2-OE1 3.42Å; Q350-E354 PolarHBondContact O-N 3.21Å
351	P	95.8	Very high	96.4	Very high	6 Å²	6	20.1 Å²	20.1	4%	0.039	10%	0.097	C	C	.	.	H	α-helix	trans	-69.9	-19.1	-179.6	-18.6	33.8	0	0	0	114.2	P347 N355 T358 T360 P407 L457	P347-P351 VanDerWaalsContact O-CD 3.24Å; P347-P351 WeakPolarHBondContact O-CD 3.3Å; P351-N355 PolarHBondContact O-N 3.34Å; P351-T358 HydrophobicContact CB-CG2 4.07Å; P351-T358 PolarHBondContact O-OG1 3.05Å; P351-T360 HydrophobicContact CB-CG2 3.81Å; P351-T360 HydrophobicContact CG-CG2 3.84Å; P351-P407 HydrophobicContact CG-CG 4.31Å; P351-L457 HydrophobicContact CB-CD1 3.75Å; P351-L457 HydrophobicContact CG-CD1 4.33Å
352	I	96.1	Very high	96.5	Very high	5 Å²	5	19.9 Å²	19.9	3%	0.026	9%	0.093	C	C	.	.	H	α-helix	trans	-79.5	-35.6	176.8	-58.9	178.4	0	0	0	110.2	V330 L349 Q350 E354 N355 R356 T360 A419 D421	V330-I352 HydrophobicContact CG1-CD1 4Å; V330-I352 HydrophobicContact CG2-CG2 4.06Å; L349-I352 WeakPolarHBondContact O-CA 3.37Å; L349-I352 WeakPolarHBondContact O-CB 3.49Å; L349-I352 PolarHBondContact O-N 3.1Å; Q350-I352 PolarHBondContact O-N 2.95Å; I352-E354 VanDerWaalsContact C-N 3.35Å; I352-N355 CarbonylContact O-C 3.58Å; I352-N355 PolarHBondContact O-N 3.22Å; I352-R356 VanDerWaalsContact O-CA 3.26Å; I352-R356 WeakPolarHBondContact O-CA 3.5Å; I352-R356 PolarHBondContact O-N 2.61Å; I352-T360 HydrophobicContact CG1-CG2 4.11Å; I352-A419 HydrophobicContact CD1-CB 3.81Å; I352-D421 HydrophobicContact CG2-CB 4.01Å
353	V	90	Very high	96.5	Very high	26 Å²	26	19.9 Å²	19.9	16%	0.158	9%	0.093	C	C	.	.	H	α-helix	trans	-61	-46.4	172.3	174.2	0	0	0	0	110.6	G153 L236 P237 L349 Q350 N355	G153-V353 WeakPolarHBondContact O-CG1 3.44Å; L236-V353 HydrophobicContact CD2-CG2 4Å; P237-V353 VanDerWaalsContact CD-CG2 3.45Å; P237-V353 HydrophobicContact CG-CG2 4.13Å; L349-V353 PolarHBondContact O-N 3.28Å; Q350-V353 PolarHBondContact O-N 3.05Å; V353-N355 VanDerWaalsContact C-N 3.34Å; V353-N355 PolarHBondContact O-N 3.45Å
354	E	87.9	Confident	96.4	Very high	116 Å²	116	20.8 Å²	20.8	54%	0.542	10%	0.098	S	C	.	.	H	α-helix	trans	-61.6	-41.7	177.7	-68	164.2	-165.8	0	0	112	Q350 I352 R455	Q350-E354 PolarHBondContact NE2-OE1 3.42Å; Q350-E354 PolarHBondContact O-N 3.21Å; I352-E354 VanDerWaalsContact C-N 3.35Å; E354-R455 IonicContact OE2-NH2 3.02Å
355	N	92.1	Very high	96.3	Very high	64 Å²	64	21 Å²	21	34%	0.342	10%	0.099	S	C	.	.			trans	-149.3	108.2	174.7	179.4	-7.7	0	0	0	110.3	P351 I352 V353 R357 T358	P351-N355 PolarHBondContact O-N 3.34Å; I352-N355 CarbonylContact O-C 3.58Å; I352-N355 PolarHBondContact O-N 3.22Å; V353-N355 VanDerWaalsContact C-N 3.34Å; V353-N355 PolarHBondContact O-N 3.45Å; N355-R357 PolarHBondContact O-N 2.8Å; N355-R357 WeakPolarHBondContact OD1-CB 3.33Å; N355-R357 PolarHBondContact OD1-N 2.78Å; N355-T358 WeakPolarHBondContact O-CB 3.15Å; N355-T358 PolarHBondContact O-N 2.83Å; N355-T358 PolarHBondContact O-OG1 3.28Å
356	R	95.9	Very high	96.2	Very high	60 Å²	60	21.8 Å²	21.8	23%	0.226	10%	0.104	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-16.9	-179.1	75.4	168.3	-156	89.9	6.7	114.6	I352 T358 D421 S423 W424 E427	I352-R356 VanDerWaalsContact O-CA 3.26Å; I352-R356 WeakPolarHBondContact O-CA 3.5Å; I352-R356 PolarHBondContact O-N 2.61Å; R356-T358 PolarHBondContact O-N 3.12Å; R356-D421 HydrophobicContact CB-CB 4.13Å; R356-D421 IonicContact NH1-OD1 3.84Å; R356-D421 PolarHBondContact NH1-OD1 3.28Å; R356-D421 VanDerWaalsContact O-CB 3.3Å; R356-D421 WeakPolarHBondContact O-CB 3.47Å; R356-S423 PolarHBondContact NH1-OG 3.36Å; R356-W424 VanDerWaalsContact NH1-CA 3.31Å; R356-W424 VanDerWaalsContact NH1-CB 3.35Å; R356-W424 VanDerWaalsContact NH1-N 3.18Å; R356-E427 IonicContact CZ-OE1 3.61Å; R356-E427 VanDerWaalsContact CZ-OE1 3.31Å; R356-E427 IonicContact CZ-OE2 3.2Å; R356-E427 IonicContact NH1-OE1 3.71Å; R356-E427 PolarHBondContact NH1-OE1 2.72Å; R356-E427 IonicContact NH2-OE1 3.96Å; R356-E427 PolarHBondContact NH2-OE1 3.19Å; R356-E427 IonicContact NH2-OE2 3.33Å; R356-E427 PolarHBondContact NH2-OE2 3.46Å
357	R	97.2	Very high	96.2	Very high	67 Å²	67	21.9 Å²	21.9	25%	0.253	10%	0.104	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.8	8.7	175.2	-60.8	-176.2	169.4	-124.2	-9.4	113.1	N355 W424 E427 C452 G454 R455	N355-R357 PolarHBondContact O-N 2.8Å; N355-R357 WeakPolarHBondContact OD1-CB 3.33Å; N355-R357 PolarHBondContact OD1-N 2.78Å; R357-W424 HydrophobicContact CB-CD2 4.34Å; R357-W424 HydrophobicContact CB-CZ2 4.24Å; R357-W424 HydrophobicContact CG-CD2 3.98Å; R357-W424 HydrophobicContact CG-CE3 4.18Å; R357-W424 HydrophobicContact CG-CG 4.48Å; R357-W424 HydrophobicContact CG-CH2 4.46Å; R357-W424 HydrophobicContact CG-CZ2 4.22Å; R357-W424 HydrophobicContact CG-CZ3 4.44Å; R357-W424 VanDerWaalsContact NH1-CH2 3.27Å; R357-W424 PolarHBondContact O-NE1 3.27Å; R357-E427 IonicContact NH2-OE2 3.03Å; R357-C452 PolarHBondContact NH1-O 3.44Å; R357-G454 WeakPolarHBondContact O-CA 3.44Å; R357-R455 PolarHBondContact O-N 2.58Å
358	T	98.3	Very high	96.1	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	136.3	174.5	-54.9	0	0	0	0	110.3	P351 N355 R356 T360 R455 L457	P351-T358 HydrophobicContact CB-CG2 4.07Å; P351-T358 PolarHBondContact O-OG1 3.05Å; N355-T358 WeakPolarHBondContact O-CB 3.15Å; N355-T358 PolarHBondContact O-N 2.83Å; N355-T358 PolarHBondContact O-OG1 3.28Å; R356-T358 PolarHBondContact O-N 3.12Å; T358-T360 HydrophobicContact CG2-CG2 3.91Å; T358-R455 WeakPolarHBondContact CA-O 3.39Å; T358-R455 HydrophobicContact CG2-CG 4Å; T358-R455 PolarHBondContact OG1-NE 2.86Å; T358-L457 HydrophobicContact CG2-CD1 3.77Å; T358-L457 HydrophobicContact CG2-CG 3.97Å
359	V	98.8	Very high	96	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	131.3	164.1	178	0	0	0	0	107.7	F418 A419 I420 V449 R455 I456 L457	V359-F418 HydrophobicContact CG1-CB 3.82Å; V359-F418 HydrophobicContact CG1-CD2 3.78Å; V359-F418 HydrophobicContact CG1-CG 4.12Å; V359-A419 WeakPolarHBondContact CA-O 3.43Å; V359-I420 HydrophobicContact CG2-CB 4.23Å; V359-I420 HydrophobicContact CG2-CD1 3.59Å; V359-I420 HydrophobicContact CG2-CG1 3.84Å; V359-V449 HydrophobicContact CG2-CG1 4.13Å; V359-V449 HydrophobicContact CG2-CG2 3.67Å; V359-R455 PolarHBondContact N-O 3.07Å; V359-I456 HydrophobicContact CB-CG1 4.29Å; V359-I456 CarbonylContact O-C 3.44Å; V359-I456 VanDerWaalsContact O-CA 3.31Å; V359-I456 WeakPolarHBondContact O-CA 3.26Å; V359-L457 PolarHBondContact O-N 2.97Å
360	T	98.8	Very high	95.8	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	139.2	178.5	55.6	0	0	0	0	111	L348 P351 I352 T358 F418 A419 L457 V459	L348-T360 WeakPolarHBondContact O-CG2 3.21Å; L348-T360 PolarHBondContact O-OG1 3.5Å; P351-T360 HydrophobicContact CB-CG2 3.81Å; P351-T360 HydrophobicContact CG-CG2 3.84Å; I352-T360 HydrophobicContact CG1-CG2 4.11Å; T358-T360 HydrophobicContact CG2-CG2 3.91Å; T360-F418 CarbonylContact O-C 3.28Å; T360-F418 WeakPolarHBondContact O-CA 3.46Å; T360-F418 WeakPolarHBondContact O-CB 3.42Å; T360-A419 PolarHBondContact N-O 2.85Å; T360-A419 PolarHBondContact O-N 2.64Å; T360-A419 WeakPolarHBondContact OG1-CB 3.33Å; T360-L457 CarbonylContact C-O 3.59Å; T360-L457 VanDerWaalsContact CA-O 3.27Å; T360-L457 WeakPolarHBondContact CA-O 3.21Å; T360-L457 HydrophobicContact CG2-CB 4.46Å; T360-V459 HydrophobicContact CG2-CG2 3.99Å
361	C	98.6	Very high	95.9	Very high	7 Å²	7	26.4 Å²	26.4	5%	0.047	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	132.5	177.8	-57.7	0	0	0	0	109.2	L457 D458 V459	C361-L457 PolarHBondContact N-O 2.71Å; C361-D458 WeakPolarHBondContact CB-OD1 3.44Å; C361-D458 CarbonylContact O-C 3.56Å; C361-D458 WeakPolarHBondContact O-CA 3.41Å; C361-V459 PolarHBondContact O-N 3.49Å
362	P	98	Very high	95.9	Very high	8 Å²	8	26.1 Å²	26.1	5%	0.052	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	164.7	172.5	32.4	-35.2	0	0	0	110.7	L348 I364 Y417 S462 V464	L348-P362 HydrophobicContact CD1-CB 4.5Å; L348-P362 HydrophobicContact CD2-CB 4.17Å; P362-I364 PolarHBondContact O-N 3.25Å; P362-Y417 HydrophobicContact CG-CG 4.5Å; P362-S462 WeakPolarHBondContact CB-OG 3.28Å; P362-V464 HydrophobicContact CB-CB 4.46Å; P362-V464 HydrophobicContact CB-CG2 3.87Å; P362-V464 HydrophobicContact CG-CB 4.2Å; P362-V464 HydrophobicContact CG-CG2 3.74Å
363	F	96.3	Very high	96	Very high	22 Å²	22	26.8 Å²	26.8	10%	0.096	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	130.4	161.8	-87.9	31	0	0	0	109.5	G380 P404 F408 D458 P460 S462 H463 V464	F363-G380 VanDerWaalsContact CZ-CA 3.49Å; F363-P404 HydrophobicContact CE2-CG 4.4Å; F363-P404 HydrophobicContact CZ-CG 3.82Å; F363-F408 AromaticContact CE1-CE1 3.77Å; F363-F408 HydrophobicContact CE1-CE1 3.77Å; F363-F408 AromaticContact CE1-CZ 3.98Å; F363-F408 HydrophobicContact CE1-CZ 3.98Å; F363-F408 AromaticContact CZ-CE1 3.87Å; F363-F408 HydrophobicContact CZ-CE1 3.87Å; F363-F408 HydrophobicContact CZ-CZ 4.22Å; F363-D458 HydrophobicContact CE1-CB 4.24Å; F363-P460 HydrophobicContact CD1-CB 4.4Å; F363-P460 HydrophobicContact CE1-CB 3.92Å; F363-P460 HydrophobicContact CE1-CG 3.77Å; F363-P460 HydrophobicContact CE2-CB 4.17Å; F363-P460 HydrophobicContact CZ-CB 3.8Å; F363-P460 HydrophobicContact CZ-CG 3.81Å; F363-S462 PolarHBondContact N-O 3.11Å; F363-H463 WeakPolarHBondContact O-CA 3.31Å; F363-V464 PolarHBondContact O-N 2.51Å
364	I	96.2	Very high	96.3	Very high	28 Å²	28	26.2 Å²	26.2	14%	0.144	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	105.3	-178.1	-53.3	167.7	0	0	0	108.1	P362 Q377 A414 Y417 V464 H466 Y468	P362-I364 PolarHBondContact O-N 3.25Å; I364-Q377 WeakPolarHBondContact O-CB 3.43Å; I364-A414 HydrophobicContact CD1-CB 4.07Å; I364-Y417 HydrophobicContact CD1-CD2 3.55Å; I364-Y417 HydrophobicContact CD1-CE2 4.24Å; I364-Y417 HydrophobicContact CD1-CG 4.36Å; I364-Y417 HydrophobicContact CG1-CD2 3.76Å; I364-Y417 HydrophobicContact CG1-CE2 4.39Å; I364-Y417 HydrophobicContact CG1-CG 4.25Å; I364-Y417 HydrophobicContact CG2-CD2 4.28Å; I364-Y417 HydrophobicContact CG2-CE2 4.05Å; I364-V464 CarbonylContact C-O 3.59Å; I364-V464 VanDerWaalsContact CA-O 3.3Å; I364-V464 WeakPolarHBondContact CA-O 3.5Å; I364-H466 HydrophobicContact CG2-CB 3.66Å; I364-Y468 HydrophobicContact CG2-CE2 4.44Å; I364-Y468 WeakPolarHBondContact CG2-OH 3.17Å
365	D	96.3	Very high	96.6	Very high	7 Å²	7	25.7 Å²	25.7	4%	0.037	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	168.6	174.9	-61.2	-46.3	0	0	0	110.9	V222 P376 H463 V464 A465 H466	V222-D365 WeakPolarHBondContact CG2-OD2 3.16Å; D365-P376 WeakPolarHBondContact OD1-CA 3.4Å; D365-H463 VanDerWaalsContact CG-ND1 3.33Å; D365-H463 IonicContact OD1-CE1 3.76Å; D365-H463 IonicContact OD1-ND1 2.67Å; D365-H463 PolarHBondContact OD1-ND1 3.48Å; D365-H463 VanDerWaalsContact OD1-ND1 3.15Å; D365-H463 WeakPolarHBondContact OD2-CB 3.25Å; D365-H463 IonicContact OD2-CE1 2.76Å; D365-H463 IonicContact OD2-CG 3.91Å; D365-H463 IonicContact OD2-ND1 3.94Å; D365-H463 PolarHBondContact OD2-ND1 3.45Å; D365-V464 PolarHBondContact N-O 3.34Å; D365-A465 HydrophobicContact CB-CB 3.91Å; D365-A465 WeakPolarHBondContact O-CA 3.07Å; D365-H466 PolarHBondContact O-N 2.93Å
366	V	96.3	Very high	96.7	Very high	15 Å²	15	25.9 Å²	25.9	9%	0.091	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	120.5	-178.4	-172.2	0	0	0	0	110.4	I374 R375 Q377 Y468	V366-I374 WeakPolarHBondContact O-CA 3.4Å; V366-R375 HydrophobicContact CB-CG 4.21Å; V366-R375 VanDerWaalsContact CG1-NH2 3.34Å; V366-R375 PolarHBondContact N-O 3.39Å; V366-R375 PolarHBondContact O-N 3.39Å; V366-R375 PolarHBondContact O-NH1 3.33Å; V366-Q377 HydrophobicContact CG2-CB 3.82Å; V366-Q377 HydrophobicContact CG2-CG 3.96Å; V366-Y468 HydrophobicContact CB-CD2 4.42Å; V366-Y468 HydrophobicContact CG1-CD2 3.9Å; V366-Y468 HydrophobicContact CG1-CE2 4.48Å; V366-Y468 HydrophobicContact CG2-CD2 4.16Å; V366-Y468 HydrophobicContact CG2-CE2 3.96Å
367	I	97.5	Very high	96.3	Very high	2 Å²	2	28 Å²	28	1%	0.01	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	118.7	158.6	-52.8	175.6	0	0	0	107	E339 C369 F372 A373 I374 A465 H466 I467	E339-I367 HydrophobicContact CB-CD1 4.09Å; E339-I367 HydrophobicContact CG-CD1 4.01Å; I367-C369 PolarHBondContact O-N 3.41Å; I367-F372 HydrophobicContact CG2-CB 4.21Å; I367-F372 HydrophobicContact CG2-CD1 3.84Å; I367-F372 HydrophobicContact CG2-CE1 4.45Å; I367-F372 HydrophobicContact CG2-CG 4.11Å; I367-A373 CarbonylContact C-O 3.55Å; I367-A373 WeakPolarHBondContact CA-O 3.32Å; I367-I374 HydrophobicContact CG1-CG1 4.24Å; I367-A465 HydrophobicContact CD1-CB 3.94Å; I367-A465 HydrophobicContact CG1-CB 3.5Å; I367-H466 PolarHBondContact N-O 3.35Å; I367-I467 HydrophobicContact CB-CB 4.46Å; I367-I467 HydrophobicContact CB-CG1 3.71Å; I367-I467 HydrophobicContact CD1-CG1 3.95Å; I367-I467 HydrophobicContact CG1-CG1 4.37Å; I367-I467 HydrophobicContact CG2-CD1 4.47Å; I367-I467 HydrophobicContact CG2-CG1 3.76Å
368	D	96.1	Very high	95.7	Very high	35 Å²	35	26.8 Å²	26.8	19%	0.187	15%	0.149	C	C	.	.			trans	-63.2	128.3	178.8	-173	-102.7	0	0	0	111.8	D370 T371 F372 A373 R375	D368-D370 VanDerWaalsContact C-N 3.26Å; D368-D370 PolarHBondContact O-N 2.76Å; D368-D370 PolarHBondContact OD1-N 3.08Å; D368-D370 VanDerWaalsContact OD1-N 3.14Å; D368-T371 WeakPolarHBondContact CB-OG1 3.38Å; D368-T371 PolarHBondContact OD1-N 3.14Å; D368-T371 PolarHBondContact OD1-OG1 2.94Å; D368-F372 WeakPolarHBondContact O-CA 3.48Å; D368-F372 PolarHBondContact O-N 2.89Å; D368-A373 HydrophobicContact CB-CB 4.16Å; D368-A373 PolarHBondContact N-O 3.14Å; D368-R375 IonicContact OD2-NH2 3.79Å
369	C	95.6	Very high	95.1	Very high	3 Å²	3	31.2 Å²	31.2	2%	0.02	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66	-23.9	-175.5	59.3	0	0	0	0	114.2	Y205 S206 I367 Y468 C470	Y205-C369 CarbonylContact C-O 3.47Å; Y205-C369 WeakPolarHBondContact CA-O 3.33Å; Y205-C369 WeakPolarHBondContact CB-O 3.45Å; S206-C369 WeakPolarHBondContact CB-O 3.41Å; S206-C369 PolarHBondContact N-O 3.16Å; I367-C369 PolarHBondContact O-N 3.41Å; C369-Y468 WeakPolarHBondContact CB-O 3.16Å; C369-C470 HydrophobicContact CB-CB 3.8Å; C369-C470 WeakPolarHBondContact CB-SG 3.44Å; C369-C470 WeakPolarHBondContact SG-CB 3.39Å; C369-C470 CovalentContact SG-SG 2Å; C369-C470 PolarHBondContact SG-SG 2.85Å
370	D	95.1	Very high	94.6	Very high	58 Å²	58	32.4 Å²	32.4	31%	0.31	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.1	-43.2	-177.9	-74.6	-13.1	0	0	0	110.3	Y200 S206 D368 K471	Y200-D370 WeakPolarHBondContact CE2-OD1 3.39Å; Y200-D370 PolarHBondContact OH-OD1 2.88Å; S206-D370 WeakPolarHBondContact CB-O 3.46Å; D368-D370 VanDerWaalsContact C-N 3.26Å; D368-D370 PolarHBondContact O-N 2.76Å; D368-D370 PolarHBondContact OD1-N 3.08Å; D368-D370 VanDerWaalsContact OD1-N 3.14Å; D370-K471 IonicContact OD1-NZ 3.87Å; D370-K471 PolarHBondContact OD1-NZ 2.72Å; D370-K471 VanDerWaalsContact OD1-NZ 3.09Å; D370-K471 IonicContact OD2-NZ 3.01Å; D370-K471 PolarHBondContact OD2-NZ 2.66Å
371	T	96.3	Very high	94.3	Very high	26 Å²	26	33.7 Å²	33.7	16%	0.16	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-115.3	-8.7	-166.7	64.9	0	0	0	0	114.9	P183 Y184 I185 D368 A373	P183-T371 HydrophobicContact CB-CG2 4.35Å; Y184-T371 PolarHBondContact N-O 2.05Å; I185-T371 HydrophobicContact CD1-CG2 3.41Å; I185-T371 VanDerWaalsContact CD1-CG2 3.41Å; D368-T371 WeakPolarHBondContact CB-OG1 3.38Å; D368-T371 PolarHBondContact OD1-N 3.14Å; D368-T371 PolarHBondContact OD1-OG1 2.94Å; T371-A373 PolarHBondContact O-N 3.08Å; T371-A373 PolarHBondContact OG1-N 3.31Å
372	F	97.2	Very high	94.1	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	20%	0.195	C	C	.	.			trans	60	20.4	-174	-81.4	-113.4	0	0	0	114.5	Y205 S206 V209 S210 L213 R217 V252 I367 D368 I467	Y205-F372 HydrophobicContact CD2-CE2 4.49Å; Y205-F372 HydrophobicContact CD2-CZ 4.22Å; S206-F372 WeakPolarHBondContact O-CE2 3.21Å; V209-F372 HydrophobicContact CB-CD2 4.17Å; V209-F372 HydrophobicContact CG1-CB 4.23Å; V209-F372 HydrophobicContact CG1-CD2 3.77Å; V209-F372 HydrophobicContact CG1-CG 4.24Å; S210-F372 VanDerWaalsContact CB-CZ 3.43Å; S210-F372 WeakPolarHBondContact OG-CE1 3.18Å; S210-F372 WeakPolarHBondContact OG-CZ 3.47Å; L213-F372 HydrophobicContact CD1-CB 3.52Å; L213-F372 HydrophobicContact CD1-CD1 4.33Å; L213-F372 HydrophobicContact CD1-CG 4.05Å; R217-F372 PolarHBondContact NH1-O 3.39Å; R217-F372 PolarHBondContact NH2-O 3.44Å; V252-F372 HydrophobicContact CG2-CE1 4.14Å; V252-F372 HydrophobicContact CG2-CZ 3.97Å; I367-F372 HydrophobicContact CG2-CB 4.21Å; I367-F372 HydrophobicContact CG2-CD1 3.84Å; I367-F372 HydrophobicContact CG2-CE1 4.45Å; I367-F372 HydrophobicContact CG2-CG 4.11Å; D368-F372 WeakPolarHBondContact O-CA 3.48Å; D368-F372 PolarHBondContact O-N 2.89Å; F372-I467 HydrophobicContact CD1-CD1 4.47Å; F372-I467 HydrophobicContact CE1-CD1 3.56Å; F372-I467 HydrophobicContact CZ-CD1 3.67Å
373	A	97	Very high	94	Very high	19 Å²	19	33.3 Å²	33.3	16%	0.157	19%	0.192	C	C	.	.			trans	-65.8	136.6	172	0	0	0	0	0	111.7	G181 P183 I367 D368 T371	G181-A373 CarbonylContact O-C 3.58Å; G181-A373 VanDerWaalsContact O-CA 3.28Å; G181-A373 WeakPolarHBondContact O-CA 3.35Å; P183-A373 HydrophobicContact CB-CB 3.92Å; P183-A373 HydrophobicContact CG-CB 4.4Å; I367-A373 CarbonylContact C-O 3.55Å; I367-A373 WeakPolarHBondContact CA-O 3.32Å; D368-A373 HydrophobicContact CB-CB 4.16Å; D368-A373 PolarHBondContact N-O 3.14Å; T371-A373 PolarHBondContact O-N 3.08Å; T371-A373 PolarHBondContact OG1-N 3.31Å
374	I	97	Very high	93.9	Very high	14 Å²	14	32.3 Å²	32.3	7%	0.072	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	126.9	175.4	-56.7	-175.1	0	0	0	109.7	G181 T219 N220 E339 V366 I367 A465	G181-I374 PolarHBondContact O-N 3.49Å; T219-I374 HydrophobicContact CG2-CD1 3.7Å; N220-I374 PolarHBondContact ND2-O 3.36Å; E339-I374 HydrophobicContact CB-CD1 4.42Å; V366-I374 WeakPolarHBondContact O-CA 3.4Å; I367-I374 HydrophobicContact CG1-CG1 4.24Å; I374-A465 HydrophobicContact CD1-CB 4.26Å; I374-A465 HydrophobicContact CG1-CB 4.46Å; I374-A465 HydrophobicContact CG2-CB 3.84Å
375	R	95.2	Very high	93.9	Very high	105 Å²	105	31 Å²	31	40%	0.396	18%	0.181	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	153	175.6	73.8	-164.4	172.6	-70.9	11.8	111.3	V366 D368	V366-R375 HydrophobicContact CB-CG 4.21Å; V366-R375 VanDerWaalsContact CG1-NH2 3.34Å; V366-R375 PolarHBondContact N-O 3.39Å; V366-R375 PolarHBondContact O-N 3.39Å; V366-R375 PolarHBondContact O-NH1 3.33Å; D368-R375 IonicContact OD2-NH2 3.79Å
376	P	93.3	Very high	93.6	Very high	67 Å²	67	31.4 Å²	31.4	44%	0.435	18%	0.184	S	C	.	.			trans	-63.2	141.9	174.2	27.2	-34.5	0	0	0	111.5	D365	D365-P376 WeakPolarHBondContact OD1-CA 3.4Å
377	Q	86.8	Confident	93.5	Very high	104 Å²	104	31.3 Å²	31.3	49%	0.486	18%	0.182	S	C	.	.			trans	-76.1	-28.7	175.4	-170.5	172.3	60.9	0	0	112.2	I364 V366 Y468	I364-Q377 WeakPolarHBondContact O-CB 3.43Å; V366-Q377 HydrophobicContact CG2-CB 3.82Å; V366-Q377 HydrophobicContact CG2-CG 3.96Å; Q377-Y468 PolarHBondContact NE2-OH 3.29Å
378	G	85.6	Confident	93.2	Very high	42 Å²	42	35.6 Å²	35.6	43%	0.433	20%	0.197	S	C	.	.			trans	170.1	-171.3	178.9	0	0	0	0	0	112.3	G380	G378-G380 VanDerWaalsContact C-N 3.32Å; G378-G380 PolarHBondContact O-N 3.16Å
379	N	85.5	Confident	93	Very high	94 Å²	94	34 Å²	34	50%	0.503	19%	0.189	S	C	.	.	S	Bend	trans	-94.9	29.4	-177.5	-64.9	-23.8	0	0	0	113.1	M402 P403 P404	N379-M402 HydrophobicContact CB-CE 3.52Å; N379-M402 WeakPolarHBondContact O-CE 3.38Å; N379-P403 HydrophobicContact CB-CB 4.32Å; N379-P404 WeakPolarHBondContact O-CD 3.49Å
380	G	87.8	Confident	92.8	Very high	25 Å²	25	39.8 Å²	39.8	26%	0.258	21%	0.211	S	C	.	.			trans	86.5	146.9	-176.2	0	0	0	0	0	114.6	F363 G378	F363-G380 VanDerWaalsContact CZ-CA 3.49Å; G378-G380 VanDerWaalsContact C-N 3.32Å; G378-G380 PolarHBondContact O-N 3.16Å
381	A	91.9	Very high	92.7	Very high	26 Å²	26	40.3 Å²	40.3	22%	0.215	21%	0.209	C	C	.	.			trans	-151.3	160.1	174.8	0	0	0	0	0	108.7	N393 V394	A381-N393 HydrophobicContact CB-CB 3.88Å; A381-V394 WeakPolarHBondContact CA-O 3.14Å; A381-V394 WeakPolarHBondContact CB-O 3.36Å
382	R	94.7	Very high	92.4	Very high	7 Å²	7	40.7 Å²	40.7	3%	0.026	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	140.9	168.1	-62.6	-171.7	-54.9	131.2	8.4	109.4	V394 L396 F408 E409 D543	R382-V394 HydrophobicContact CB-CG2 4.16Å; R382-V394 PolarHBondContact N-O 3.06Å; R382-V394 WeakPolarHBondContact O-CG2 3.48Å; R382-V394 PolarHBondContact O-N 3.15Å; R382-L396 HydrophobicContact CG-CD2 3.92Å; R382-F408 HydrophobicContact CG-CD2 4.27Å; R382-F408 HydrophobicContact CG-CE2 4.17Å; R382-E409 VanDerWaalsContact CD-O 3.3Å; R382-E409 WeakPolarHBondContact CD-O 3.5Å; R382-D543 IonicContact CZ-OD1 3.68Å; R382-D543 IonicContact CZ-OD2 3.93Å; R382-D543 IonicContact NH1-OD1 2.99Å; R382-D543 IonicContact NH2-OD1 3.34Å; R382-D543 PolarHBondContact NH2-OD1 2.86Å; R382-D543 IonicContact NH2-OD2 3.21Å; R382-D543 PolarHBondContact NH2-OD2 3.24Å
383	G	95.8	Very high	92.1	Very high	0 Å²	0	44 Å²	44	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	148.6	174.6	0	0	0	0	0	112.9	Y391 N410 V412	G383-Y391 WeakPolarHBondContact CA-OH 3.23Å; G383-N410 WeakPolarHBondContact CA-OD1 3.38Å; G383-N410 PolarHBondContact N-OD1 3.45Å; G383-V412 VanDerWaalsContact CA-O 3.25Å; G383-V412 WeakPolarHBondContact CA-O 3.49Å; G383-V412 PolarHBondContact O-N 3.1Å
384	M	95.4	Very high	91.8	Very high	1 Å²	1	43.3 Å²	43.3	1%	0.005	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.4	-175.9	-177.4	-172.2	172.6	49.1	0	0	108.3	Y391 K392 V394 M541 Q544 Y547 Y548	M384-Y391 WeakPolarHBondContact O-CA 3.06Å; M384-K392 PolarHBondContact N-O 3.21Å; M384-K392 PolarHBondContact O-N 3.4Å; M384-V394 HydrophobicContact CB-CG2 4.31Å; M384-V394 HydrophobicContact CE-CB 4.08Å; M384-V394 HydrophobicContact CE-CG1 3.14Å; M384-V394 HydrophobicContact CE-CG2 3.82Å; M384-V394 HydrophobicContact SD-CG2 4.45Å; M384-M541 HydrophobicContact CB-SD 4.44Å; M384-M541 HydrophobicContact CG-CG 4.34Å; M384-M541 HydrophobicContact CG-SD 3.75Å; M384-Q544 PolarHBondContact SD-OE1 3.03Å; M384-Y547 HydrophobicContact CE-CG 4.33Å; M384-Y548 HydrophobicContact CE-CD2 3.08Å; M384-Y548 HydrophobicContact CE-CE2 3.15Å; M384-Y548 HydrophobicContact CE-CG 4.34Å; M384-Y548 HydrophobicContact SD-CD2 4.04Å
385	F	94.9	Very high	91.5	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	156.6	171.6	57.2	-84.9	0	0	0	112.2	W387 F389 Y390 V412 Y443 F447 M496 F533 M541 Q544	F385-W387 HydrophobicContact CE2-CE3 4.37Å; F385-W387 HydrophobicContact CE2-CZ3 4.33Å; F385-F389 AromaticContact CD2-CD1 3.87Å; F385-F389 HydrophobicContact CD2-CD1 3.87Å; F385-F389 HydrophobicContact CD2-CE1 4.08Å; F385-F389 HydrophobicContact CE2-CD1 4.34Å; F385-F389 HydrophobicContact CE2-CE1 4.13Å; F385-F389 HydrophobicContact CG-CD1 4.33Å; F385-Y390 CarbonylContact C-O 3.54Å; F385-Y390 WeakPolarHBondContact CA-O 3.04Å; F385-V412 HydrophobicContact CD1-CG2 4.14Å; F385-V412 HydrophobicContact CE1-CG2 4.45Å; F385-Y443 HydrophobicContact CB-CE1 3.77Å; F385-Y443 HydrophobicContact CD1-CD1 4.34Å; F385-Y443 HydrophobicContact CD1-CE1 4.27Å; F385-Y443 HydrophobicContact CG-CE1 4.3Å; F385-F447 HydrophobicContact CD1-CE1 4.38Å; F385-F447 HydrophobicContact CD1-CZ 4.13Å; F385-F447 AromaticContact CE1-CE1 3.71Å; F385-F447 HydrophobicContact CE1-CE1 3.71Å; F385-F447 AromaticContact CE1-CZ 3.53Å; F385-F447 HydrophobicContact CE1-CZ 3.53Å; F385-F447 HydrophobicContact CZ-CE1 4.48Å; F385-F447 HydrophobicContact CZ-CZ 4.03Å; F385-M496 HydrophobicContact CE2-CE 4.37Å; F385-F533 AromaticContact CZ-CZ 3.93Å; F385-F533 HydrophobicContact CZ-CZ 3.93Å; F385-M541 HydrophobicContact CD1-CE 4.28Å; F385-M541 HydrophobicContact CD1-SD 4.45Å; F385-M541 HydrophobicContact CE1-CE 3.37Å; F385-M541 HydrophobicContact CE1-SD 3.97Å; F385-M541 HydrophobicContact CZ-CE 3.57Å; F385-Q544 PolarHBondContact O-NE2 3.2Å
386	D	91.7	Very high	91.3	Very high	17 Å²	17	40.4 Å²	40.4	9%	0.091	22%	0.215	C	C	.	.			trans	-85.5	166	160.4	69.7	18.1	0	0	0	111.2	R388 F389 Y390 K392 Y548	D386-R388 PolarHBondContact O-N 3.06Å; D386-R388 WeakPolarHBondContact OD1-CA 3.46Å; D386-R388 WeakPolarHBondContact OD1-CB 3.49Å; D386-R388 PolarHBondContact OD1-N 3.29Å; D386-F389 PolarHBondContact O-N 3.06Å; D386-F389 PolarHBondContact OD1-N 3.21Å; D386-Y390 PolarHBondContact N-O 2.71Å; D386-Y390 WeakPolarHBondContact OD1-CB 3.45Å; D386-Y390 PolarHBondContact OD1-N 3.37Å; D386-K392 HydrophobicContact CB-CG 4.36Å; D386-K392 WeakPolarHBondContact OD2-CE 3.21Å; D386-K392 IonicContact OD2-NZ 3.34Å; D386-Y548 HydrophobicContact CB-CD1 3.41Å; D386-Y548 VanDerWaalsContact CB-CD1 3.41Å; D386-Y548 HydrophobicContact CB-CE1 3.98Å; D386-Y548 HydrophobicContact CB-CG 4.16Å
387	W	92.3	Very high	91.1	Very high	13 Å²	13	42.1 Å²	42.1	5%	0.049	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.6	16.7	-180	-62.4	100.1	0	0	0	114.5	F385 M496 F499 Y502 L503 R506 Q544 Y548 P549 A550	F385-W387 HydrophobicContact CE2-CE3 4.37Å; F385-W387 HydrophobicContact CE2-CZ3 4.33Å; W387-M496 HydrophobicContact CE3-CE 4.38Å; W387-M496 HydrophobicContact CZ3-CE 3.82Å; W387-F499 HydrophobicContact CH2-CB 4.13Å; W387-F499 AromaticContact CH2-CD1 3.73Å; W387-F499 HydrophobicContact CH2-CD1 3.73Å; W387-F499 HydrophobicContact CH2-CG 4.4Å; W387-F499 HydrophobicContact CZ3-CB 4.07Å; W387-F499 HydrophobicContact CZ3-CD1 4.47Å; W387-Y502 HydrophobicContact CE3-CD2 4.28Å; W387-Y502 HydrophobicContact CE3-CG 4.23Å; W387-Y502 AromaticContact CH2-CD2 3.96Å; W387-Y502 HydrophobicContact CH2-CD2 3.96Å; W387-Y502 HydrophobicContact CZ2-CD2 4.42Å; W387-Y502 AromaticContact CZ3-CD2 3.87Å; W387-Y502 HydrophobicContact CZ3-CD2 3.87Å; W387-Y502 HydrophobicContact CZ3-CG 4.29Å; W387-L503 WeakPolarHBondContact O-CA 3.19Å; W387-L503 WeakPolarHBondContact O-CD1 3.39Å; W387-R506 HydrophobicContact CB-CG 4.08Å; W387-R506 VanDerWaalsContact O-CB 3.3Å; W387-R506 WeakPolarHBondContact O-CB 3.21Å; W387-R506 WeakPolarHBondContact O-CG 3.22Å; W387-Q544 HydrophobicContact CZ2-CG 4.2Å; W387-Y548 PolarHBondContact NE1-O 3.19Å; W387-P549 VanDerWaalsContact NE1-C 3.33Å; W387-P549 PolarHBondContact NE1-O 2.79Å; W387-A550 HydrophobicContact CZ2-CB 3.89Å; W387-A550 VanDerWaalsContact NE1-N 3.19Å
388	R	91.2	Very high	90.9	Very high	91 Å²	91	41.5 Å²	41.5	34%	0.343	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-108.1	5.2	163.9	-69.5	179.2	179.6	92.3	-2.2	112.8	D386 Y390 R506 N507	D386-R388 PolarHBondContact O-N 3.06Å; D386-R388 WeakPolarHBondContact OD1-CA 3.46Å; D386-R388 WeakPolarHBondContact OD1-CB 3.49Å; D386-R388 PolarHBondContact OD1-N 3.29Å; R388-Y390 VanDerWaalsContact C-N 3.3Å; R388-Y390 HydrophobicContact CB-CD2 3.94Å; R388-Y390 HydrophobicContact CB-CE2 3.95Å; R388-Y390 HydrophobicContact CB-CG 4.44Å; R388-R506 HydrophobicContact CG-CB 3.74Å; R388-R506 HydrophobicContact CG-CG 4.37Å; R388-N507 PolarHBondContact O-ND2 3.17Å
389	F	92.8	Very high	90.4	Very high	1 Å²	1	46 Å²	46	0%	0.004	23%	0.228	C	C	.	.	S	Bend	trans	61.5	35.9	-171.3	-89.5	9.8	0	0	0	113	F385 D386 Y443 F447 Y488 V491 M496 L503	F385-F389 AromaticContact CD2-CD1 3.87Å; F385-F389 HydrophobicContact CD2-CD1 3.87Å; F385-F389 HydrophobicContact CD2-CE1 4.08Å; F385-F389 HydrophobicContact CE2-CD1 4.34Å; F385-F389 HydrophobicContact CE2-CE1 4.13Å; F385-F389 HydrophobicContact CG-CD1 4.33Å; D386-F389 PolarHBondContact O-N 3.06Å; D386-F389 PolarHBondContact OD1-N 3.21Å; F389-Y443 HydrophobicContact CB-CE2 4.01Å; F389-Y443 AromaticContact CD2-CD2 3.96Å; F389-Y443 HydrophobicContact CD2-CD2 3.96Å; F389-Y443 HydrophobicContact CD2-CE2 4.22Å; F389-Y443 HydrophobicContact CE2-CD2 4.22Å; F389-Y443 HydrophobicContact CG-CD2 4.19Å; F389-Y443 HydrophobicContact CG-CE2 4.09Å; F389-Y443 PolarHBondContact O-OH 3.24Å; F389-F447 HydrophobicContact CE1-CE2 4.47Å; F389-F447 HydrophobicContact CZ-CE2 4.11Å; F389-Y488 HydrophobicContact CB-CD2 3.86Å; F389-Y488 HydrophobicContact CB-CE1 4.42Å; F389-Y488 HydrophobicContact CB-CE2 3.74Å; F389-Y488 HydrophobicContact CB-CG 4.24Å; F389-Y488 AromaticContact CD2-CD1 3.7Å; F389-Y488 HydrophobicContact CD2-CD1 3.7Å; F389-Y488 HydrophobicContact CD2-CD2 4.02Å; F389-Y488 HydrophobicContact CD2-CE1 4.26Å; F389-Y488 AromaticContact CD2-CG 3.55Å; F389-Y488 HydrophobicContact CD2-CG 3.55Å; F389-Y488 HydrophobicContact CE2-CD1 4.44Å; F389-Y488 HydrophobicContact CE2-CG 4.4Å; F389-Y488 HydrophobicContact CG-CD2 4.47Å; F389-Y488 HydrophobicContact CG-CG 4.42Å; F389-Y488 PolarHBondContact O-OH 3.26Å; F389-V491 HydrophobicContact CE2-CB 4.23Å; F389-V491 HydrophobicContact CE2-CG1 4.14Å; F389-V491 HydrophobicContact CZ-CG1 4.17Å; F389-M496 HydrophobicContact CE1-CE 3.8Å; F389-M496 HydrophobicContact CE1-SD 3.44Å; F389-M496 WeakPolarHBondContact CE1-SD 3.1Å; F389-M496 HydrophobicContact CE2-SD 4.3Å; F389-M496 HydrophobicContact CZ-CE 4.21Å; F389-M496 HydrophobicContact CZ-CG 4.36Å; F389-M496 HydrophobicContact CZ-SD 3.21Å; F389-M496 WeakPolarHBondContact CZ-SD 3.42Å; F389-L503 HydrophobicContact CB-CD1 4.05Å; F389-L503 HydrophobicContact CD1-CD1 3.97Å; F389-L503 HydrophobicContact CD1-CD2 4.2Å; F389-L503 HydrophobicContact CD2-CD1 4.43Å; F389-L503 HydrophobicContact CD2-CD2 3.89Å; F389-L503 HydrophobicContact CE1-CD2 4.18Å; F389-L503 HydrophobicContact CE2-CD2 3.84Å; F389-L503 HydrophobicContact CG-CD1 3.87Å; F389-L503 HydrophobicContact CG-CD2 4.08Å; F389-L503 HydrophobicContact CZ-CD2 4.02Å
390	Y	90.9	Very high	89.5	Confident	125 Å²	125	47.2 Å²	47.2	49%	0.49	24%	0.239	S	C	.	.			trans	-91.6	131.7	162.8	-58.9	-37	0	0	0	110	F385 D386 R388	F385-Y390 CarbonylContact C-O 3.54Å; F385-Y390 WeakPolarHBondContact CA-O 3.04Å; D386-Y390 PolarHBondContact N-O 2.71Å; D386-Y390 WeakPolarHBondContact OD1-CB 3.45Å; D386-Y390 PolarHBondContact OD1-N 3.37Å; R388-Y390 VanDerWaalsContact C-N 3.3Å; R388-Y390 HydrophobicContact CB-CD2 3.94Å; R388-Y390 HydrophobicContact CB-CE2 3.95Å; R388-Y390 HydrophobicContact CB-CG 4.44Å
391	Y	93	Very high	88.7	Confident	70 Å²	70	51.4 Å²	51.4	28%	0.275	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	138	177.8	-175.8	-90.6	0	0	0	110.4	G383 M384 N393 V412 Y443	G383-Y391 WeakPolarHBondContact CA-OH 3.23Å; M384-Y391 WeakPolarHBondContact O-CA 3.06Å; Y391-N393 VanDerWaalsContact CE1-OD1 3.22Å; Y391-N393 WeakPolarHBondContact CE1-OD1 3.38Å; Y391-V412 HydrophobicContact CD2-CG1 4.18Å; Y391-V412 HydrophobicContact CE2-CB 4.43Å; Y391-V412 HydrophobicContact CE2-CG1 4.05Å; Y391-V412 WeakPolarHBondContact CE2-O 3Å; Y391-V412 PolarHBondContact OH-O 3.42Å; Y391-Y443 WeakPolarHBondContact CA-OH 3.34Å; Y391-Y443 PolarHBondContact N-OH 3.3Å
392	K	91.2	Very high	88	Confident	33 Å²	33	54.5 Å²	54.5	14%	0.143	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	137.5	-176.8	-59.7	-66.1	179.2	-176.6	0	110	M384 D386 Y548	M384-K392 PolarHBondContact N-O 3.21Å; M384-K392 PolarHBondContact O-N 3.4Å; D386-K392 HydrophobicContact CB-CG 4.36Å; D386-K392 WeakPolarHBondContact OD2-CE 3.21Å; D386-K392 IonicContact OD2-NZ 3.34Å; K392-Y548 HydrophobicContact CB-CE1 4.28Å; K392-Y548 HydrophobicContact CB-CE2 3.79Å; K392-Y548 WeakPolarHBondContact CB-OH 3.33Å; K392-Y548 HydrophobicContact CD-CE1 3.82Å; K392-Y548 WeakPolarHBondContact CD-OH 3.01Å; K392-Y548 HydrophobicContact CG-CD1 4.32Å; K392-Y548 HydrophobicContact CG-CE1 3.59Å; K392-Y548 HydrophobicContact CG-CE2 4.01Å; K392-Y548 VanDerWaalsContact CG-CZ 3.41Å; K392-Y548 WeakPolarHBondContact CG-OH 3.49Å
393	N	90.8	Very high	87.5	Confident	70 Å²	70	56.8 Å²	56.8	37%	0.374	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	131.9	171.2	-74.7	-29.1	0	0	0	110.2	A381 Y391	A381-N393 HydrophobicContact CB-CB 3.88Å; Y391-N393 VanDerWaalsContact CE1-OD1 3.22Å; Y391-N393 WeakPolarHBondContact CE1-OD1 3.38Å
394	V	90.9	Very high	87.2	Confident	5 Å²	5	57.3 Å²	57.3	3%	0.03	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	157.5	170.3	-80	0	0	0	0	112.2	A381 R382 M384 Y547 Y548	A381-V394 WeakPolarHBondContact CA-O 3.14Å; A381-V394 WeakPolarHBondContact CB-O 3.36Å; R382-V394 HydrophobicContact CB-CG2 4.16Å; R382-V394 PolarHBondContact N-O 3.06Å; R382-V394 WeakPolarHBondContact O-CG2 3.48Å; R382-V394 PolarHBondContact O-N 3.15Å; M384-V394 HydrophobicContact CB-CG2 4.31Å; M384-V394 HydrophobicContact CE-CB 4.08Å; M384-V394 HydrophobicContact CE-CG1 3.14Å; M384-V394 HydrophobicContact CE-CG2 3.82Å; M384-V394 HydrophobicContact SD-CG2 4.45Å; V394-Y547 HydrophobicContact CB-CD2 4.43Å; V394-Y547 HydrophobicContact CB-CE2 4.44Å; V394-Y547 HydrophobicContact CG1-CD1 3.73Å; V394-Y547 HydrophobicContact CG1-CD2 3.87Å; V394-Y547 HydrophobicContact CG1-CE1 4.11Å; V394-Y547 HydrophobicContact CG1-CE2 4.27Å; V394-Y547 HydrophobicContact CG1-CG 3.6Å; V394-Y548 HydrophobicContact CG1-CE2 4.27Å
395	P	89.5	Confident	87	Confident	44 Å²	44	58.5 Å²	58.5	29%	0.286	29%	0.289	S	S	.	.			trans	-58.2	151.8	179.6	-24	34.6	0	0	0	113.1
396	L	91.7	Very high	86.9	Confident	14 Å²	14	62.1 Å²	62.1	7%	0.073	31%	0.308	C	S	.	.			trans	-59.9	148	168.5	-54.4	-175.7	0	0	0	110.7	R382 M402 P404 F408	R382-L396 HydrophobicContact CG-CD2 3.92Å; L396-M402 HydrophobicContact CD1-SD 3.78Å; L396-P404 HydrophobicContact CD1-CB 4.11Å; L396-P404 HydrophobicContact CD1-CG 3.77Å; L396-F408 HydrophobicContact CD1-CD1 4.46Å; L396-F408 HydrophobicContact CD1-CE1 4.2Å; L396-F408 HydrophobicContact CD1-CZ 4.43Å; L396-F408 HydrophobicContact CD2-CD1 4.43Å; L396-F408 HydrophobicContact CD2-CD2 3.78Å; L396-F408 HydrophobicContact CD2-CE1 4.03Å; L396-F408 HydrophobicContact CD2-CE2 3.34Å; L396-F408 HydrophobicContact CD2-CG 4.31Å; L396-F408 HydrophobicContact CD2-CZ 3.49Å; L396-F408 VanDerWaalsContact CD2-CZ 3.49Å
397	L	88.4	Confident	87	Confident	103 Å²	103	64.1 Å²	64.1	54%	0.539	32%	0.322	S	S	.	.	S	Bend	trans	-65.6	-47.2	177.1	-65.6	176.4	0	0	0	111	F542	L397-F542 HydrophobicContact CD1-CE1 4.04Å; L397-F542 HydrophobicContact CD1-CZ 3.76Å; L397-F542 HydrophobicContact CD2-CE2 4.2Å; L397-F542 HydrophobicContact CD2-CZ 3.63Å; L397-F542 HydrophobicContact CG-CZ 4.36Å
398	N	83	Confident	87.2	Confident	91 Å²	91	65 Å²	65	49%	0.487	33%	0.327	S	S	.	.			trans	-92.8	113.2	174	-172	2.6	0	0	0	110.5	T400	N398-T400 PolarHBondContact OD1-N 2.57Å; N398-T400 VanDerWaalsContact OD1-N 3.1Å; N398-T400 PolarHBondContact OD1-OG1 2.92Å
399	K	74.6	Confident	87.4	Confident	137 Å²	137	65.5 Å²	65.5	60%	0.596	33%	0.333	S	S	*	.			trans	-100.7	-2.6	180	-62.4	-175.5	-179.7	-176.6	0	114	Q401	K399-Q401 VanDerWaalsContact C-N 3.31Å; K399-Q401 PolarHBondContact O-N 2.88Å
400	T	66.9	Low	87.6	Confident	118 Å²	118	65.5 Å²	65.5	72%	0.724	33%	0.333	S	S	*	.	S	Bend	trans	-77.7	-17.3	-173.1	61.2	0	0	0	0	113.2	N398	N398-T400 PolarHBondContact OD1-N 2.57Å; N398-T400 VanDerWaalsContact OD1-N 3.1Å; N398-T400 PolarHBondContact OD1-OG1 2.92Å
401	Q	70.2	Confident	87.9	Confident	114 Å²	114	59.7 Å²	59.7	53%	0.533	31%	0.31	S	S	.	.	S	Bend	trans	-122.9	86.6	178.6	-65.1	-179.8	2.5	0	0	109.9	K399 P403 P404	K399-Q401 VanDerWaalsContact C-N 3.31Å; K399-Q401 PolarHBondContact O-N 2.88Å; Q401-P403 CarbonylContact O-C 3.54Å; Q401-P404 WeakPolarHBondContact O-CA 3.3Å
402	M	79	Confident	88.2	Confident	91 Å²	91	56.4 Å²	56.4	45%	0.448	30%	0.297	S	S	.	.	S	Bend	trans	-120.6	130.9	178.1	-68.4	-68.6	-73.8	0	0	110.1	N379 L396	N379-M402 HydrophobicContact CB-CE 3.52Å; N379-M402 WeakPolarHBondContact O-CE 3.38Å; L396-M402 HydrophobicContact CD1-SD 3.78Å
403	P	83.1	Confident	88.4	Confident	54 Å²	54	54.9 Å²	54.9	35%	0.351	29%	0.291	S	S	.	.	S	Bend	cis	-65.8	149	-6.4	30.6	-35.8	0	0	0	111.5	P224 N379 Q401	P224-P403 HydrophobicContact CB-CG 4.01Å; P224-P403 HydrophobicContact CG-CB 4.02Å; P224-P403 HydrophobicContact CG-CG 3.75Å; N379-P403 HydrophobicContact CB-CB 4.32Å; Q401-P403 CarbonylContact O-C 3.54Å
404	P	88.9	Confident	88.5	Confident	11 Å²	11	53.9 Å²	53.9	7%	0.071	29%	0.293	C	S	.	.			trans	-64.1	148.5	175.7	32	-37.6	0	0	0	109.4	F363 N379 L396 Q401 F408 P460	F363-P404 HydrophobicContact CE2-CG 4.4Å; F363-P404 HydrophobicContact CZ-CG 3.82Å; N379-P404 WeakPolarHBondContact O-CD 3.49Å; L396-P404 HydrophobicContact CD1-CB 4.11Å; L396-P404 HydrophobicContact CD1-CG 3.77Å; Q401-P404 WeakPolarHBondContact O-CA 3.3Å; P404-F408 HydrophobicContact CB-CD1 4.22Å; P404-F408 HydrophobicContact CB-CE1 4.32Å; P404-F408 HydrophobicContact CG-CD1 4.32Å; P404-F408 HydrophobicContact CG-CE1 3.91Å; P404-P460 HydrophobicContact CB-CG 3.87Å; P404-P460 HydrophobicContact CG-CB 4.18Å; P404-P460 HydrophobicContact CG-CG 3.77Å; P404-P460 WeakPolarHBondContact O-CB 3.07Å
405	V	91.5	Very high	88.4	Confident	27 Å²	27	53.8 Å²	53.8	16%	0.164	29%	0.292	C	S	.	.			trans	-117.6	-37.2	177.3	-177.9	0	0	0	0	110.1	P224 A226 C461	P224-V405 HydrophobicContact CB-CG2 3.98Å; P224-V405 HydrophobicContact CG-CG2 4.43Å; A226-V405 HydrophobicContact CB-CB 4.45Å; A226-V405 HydrophobicContact CB-CG1 3.88Å; A226-V405 HydrophobicContact CB-CG2 3.76Å; V405-C461 PolarHBondContact O-SG 3.47Å; V405-C461 VanDerWaalsContact O-SG 3.39Å
406	N	92.7	Very high	88.5	Confident	76 Å²	76	52.2 Å²	52.2	41%	0.406	28%	0.284	S	S	.	.	S	Bend	trans	-84	148.6	177.4	-62.1	-36.4	0	0	0	110.6	K230 P460	K230-N406 WeakPolarHBondContact CE-OD1 3.38Å; K230-N406 PolarHBondContact NZ-OD1 2.98Å; N406-P460 WeakPolarHBondContact O-CD 3.43Å; N406-P460 WeakPolarHBondContact O-CG 3.26Å
407	P	95.2	Very high	88.8	Confident	58 Å²	58	52 Å²	52	38%	0.377	28%	0.283	S	S	.	.			trans	-54.2	147.7	171.7	-24.8	34.1	0	0	0	112.5	P351 L457 D458 V459	P351-P407 HydrophobicContact CG-CG 4.31Å; P407-L457 HydrophobicContact CB-CB 4.26Å; P407-L457 HydrophobicContact CB-CD1 4.17Å; P407-D458 WeakPolarHBondContact CA-O 3.04Å; P407-V459 HydrophobicContact CB-CG2 4.34Å; P407-V459 HydrophobicContact CG-CG1 4.4Å; P407-V459 HydrophobicContact CG-CG2 4.31Å
408	F	94.9	Very high	89.3	Confident	33 Å²	33	47.1 Å²	47.1	15%	0.145	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	153.4	177.2	62.1	-96.2	0	0	0	111.5	F363 R382 L396 P404 L457 D458 P460	F363-F408 AromaticContact CE1-CE1 3.77Å; F363-F408 HydrophobicContact CE1-CE1 3.77Å; F363-F408 AromaticContact CE1-CZ 3.98Å; F363-F408 HydrophobicContact CE1-CZ 3.98Å; F363-F408 AromaticContact CZ-CE1 3.87Å; F363-F408 HydrophobicContact CZ-CE1 3.87Å; F363-F408 HydrophobicContact CZ-CZ 4.22Å; R382-F408 HydrophobicContact CG-CD2 4.27Å; R382-F408 HydrophobicContact CG-CE2 4.17Å; L396-F408 HydrophobicContact CD1-CD1 4.46Å; L396-F408 HydrophobicContact CD1-CE1 4.2Å; L396-F408 HydrophobicContact CD1-CZ 4.43Å; L396-F408 HydrophobicContact CD2-CD1 4.43Å; L396-F408 HydrophobicContact CD2-CD2 3.78Å; L396-F408 HydrophobicContact CD2-CE1 4.03Å; L396-F408 HydrophobicContact CD2-CE2 3.34Å; L396-F408 HydrophobicContact CD2-CG 4.31Å; L396-F408 HydrophobicContact CD2-CZ 3.49Å; L396-F408 VanDerWaalsContact CD2-CZ 3.49Å; P404-F408 HydrophobicContact CB-CD1 4.22Å; P404-F408 HydrophobicContact CB-CE1 4.32Å; P404-F408 HydrophobicContact CG-CD1 4.32Å; P404-F408 HydrophobicContact CG-CE1 3.91Å; F408-L457 CarbonylContact O-C 3.51Å; F408-L457 VanDerWaalsContact O-CA 3.28Å; F408-L457 WeakPolarHBondContact O-CA 3.37Å; F408-D458 HydrophobicContact CD2-CB 4.31Å; F408-D458 HydrophobicContact CE1-CB 3.98Å; F408-D458 HydrophobicContact CE2-CB 3.66Å; F408-D458 HydrophobicContact CZ-CB 3.47Å; F408-D458 VanDerWaalsContact CZ-CB 3.47Å; F408-D458 PolarHBondContact N-O 3.35Å; F408-D458 VanDerWaalsContact N-O 3.08Å; F408-D458 PolarHBondContact O-N 3.34Å; F408-P460 HydrophobicContact CD1-CG 4.12Å; F408-P460 HydrophobicContact CE1-CG 3.94Å
409	E	96.1	Very high	90.1	Very high	101 Å²	101	42.8 Å²	42.8	47%	0.472	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	133.9	-178.1	-63.8	-172.6	150.9	0	0	112.7	R382 W450 I456 L457	R382-E409 VanDerWaalsContact CD-O 3.3Å; R382-E409 WeakPolarHBondContact CD-O 3.5Å; E409-W450 HydrophobicContact CB-CH2 4.08Å; E409-W450 HydrophobicContact CB-CZ2 4.24Å; E409-W450 HydrophobicContact CG-CH2 4.01Å; E409-I456 WeakPolarHBondContact CA-O 3.38Å; E409-L457 HydrophobicContact CB-CD2 4.45Å; E409-L457 HydrophobicContact CG-CD2 3.78Å
410	N	96.6	Very high	91.2	Very high	1 Å²	1	36.3 Å²	36.3	1%	0.005	21%	0.206	C	C	.	.			trans	-121.2	116.6	178.3	-171.7	2	0	0	0	110.4	G383 V412 W450 I456 D458	G383-N410 WeakPolarHBondContact CA-OD1 3.38Å; G383-N410 PolarHBondContact N-OD1 3.45Å; N410-V412 VanDerWaalsContact C-N 3.32Å; N410-V412 PolarHBondContact ND2-O 2.88Å; N410-V412 PolarHBondContact O-N 3.21Å; N410-V412 PolarHBondContact OD1-N 3.44Å; N410-V412 PolarHBondContact OD1-O 3.26Å; N410-V412 VanDerWaalsContact OD1-O 3.08Å; N410-W450 PolarHBondContact O-NE1 3.49Å; N410-I456 HydrophobicContact CB-CG2 4.33Å; N410-I456 PolarHBondContact N-O 3.03Å; N410-I456 WeakPolarHBondContact O-CB 3.28Å; N410-D458 VanDerWaalsContact ND2-CG 3.34Å; N410-D458 PolarHBondContact ND2-OD1 3.21Å; N410-D458 PolarHBondContact ND2-OD2 2.93Å; N410-D458 VanDerWaalsContact ND2-OD2 3.16Å
411	P	98.1	Very high	92.7	Very high	3 Å²	3	31.9 Å²	31.9	2%	0.019	18%	0.177	C	C	.	.	S	Bend	trans	-62.3	-36.8	-179.6	-24.9	35.1	0	0	0	113.7	W450 F536 V540 M541	P411-W450 PolarHBondContact O-NE1 2.9Å; P411-F536 HydrophobicContact CB-CZ 4.22Å; P411-V540 HydrophobicContact CB-CG1 4.02Å; P411-V540 HydrophobicContact CG-CG1 4.24Å; P411-M541 HydrophobicContact CB-CB 4.2Å; P411-M541 HydrophobicContact CB-CG 3.93Å; P411-M541 HydrophobicContact CB-SD 3.98Å; P411-M541 HydrophobicContact CG-CG 4.25Å
412	V	98.2	Very high	94.1	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	17%	0.166	C	C	.	.	S	Bend	trans	-140.6	117.8	-177.2	-176.2	0	0	0	0	109.5	G383 F385 Y391 N410 Y443 S446 F447 M541	G383-V412 VanDerWaalsContact CA-O 3.25Å; G383-V412 WeakPolarHBondContact CA-O 3.49Å; G383-V412 PolarHBondContact O-N 3.1Å; F385-V412 HydrophobicContact CD1-CG2 4.14Å; F385-V412 HydrophobicContact CE1-CG2 4.45Å; Y391-V412 HydrophobicContact CD2-CG1 4.18Å; Y391-V412 HydrophobicContact CE2-CB 4.43Å; Y391-V412 HydrophobicContact CE2-CG1 4.05Å; Y391-V412 WeakPolarHBondContact CE2-O 3Å; Y391-V412 PolarHBondContact OH-O 3.42Å; N410-V412 VanDerWaalsContact C-N 3.32Å; N410-V412 PolarHBondContact ND2-O 2.88Å; N410-V412 PolarHBondContact O-N 3.21Å; N410-V412 PolarHBondContact OD1-N 3.44Å; N410-V412 PolarHBondContact OD1-O 3.26Å; N410-V412 VanDerWaalsContact OD1-O 3.08Å; V412-Y443 HydrophobicContact CG1-CD1 3.69Å; V412-Y443 HydrophobicContact CG1-CE1 3.86Å; V412-S446 WeakPolarHBondContact CA-OG 3.46Å; V412-F447 HydrophobicContact CG2-CE1 4.25Å; V412-M541 HydrophobicContact CG2-SD 4.32Å
413	M	96.8	Very high	95	Very high	1 Å²	1	28 Å²	28	1%	0.005	16%	0.161	C	C	.	.			trans	-74.6	159.2	174.8	58.6	175.7	163.1	0	0	112.1	G415 F418 L445 S446 I456	M413-G415 PolarHBondContact O-N 2.81Å; M413-F418 HydrophobicContact SD-CB 4.3Å; M413-F418 HydrophobicContact SD-CD1 4.04Å; M413-F418 HydrophobicContact SD-CG 4.14Å; M413-L445 HydrophobicContact CE-CB 3.51Å; M413-L445 HydrophobicContact CE-CD2 3.6Å; M413-L445 HydrophobicContact CE-CG 3.46Å; M413-L445 VanDerWaalsContact CE-CG 3.46Å; M413-S446 WeakPolarHBondContact CG-OG 3.24Å; M413-S446 PolarHBondContact N-OG 3.39Å; M413-S446 VanDerWaalsContact N-OG 3.12Å; M413-I456 HydrophobicContact CB-CG2 4.35Å
414	A	92.7	Very high	95.7	Very high	50 Å²	50	25.5 Å²	25.5	41%	0.413	14%	0.144	S	C	.	.			trans	-67.8	-23.2	173.8	0	0	0	0	0	113.1	I364 G416	I364-A414 HydrophobicContact CD1-CB 4.07Å; A414-G416 PolarHBondContact O-N 2.85Å
415	G	89.2	Confident	96.1	Very high	2 Å²	2	25 Å²	25	2%	0.021	14%	0.14	C	C	.	.	S	Bend	trans	94.3	-28.1	175	0	0	0	0	0	114.9	R319 M413 Y417	R319-G415 PolarHBondContact NH1-O 3.33Å; M413-G415 PolarHBondContact O-N 2.81Å; G415-Y417 PolarHBondContact O-N 3.07Å
416	G	91.4	Very high	96.4	Very high	12 Å²	12	27.4 Å²	27.4	12%	0.124	15%	0.15	C	C	.	.	S	Bend	trans	-65.8	-34.3	-177	0	0	0	0	0	114.7	R319 A414	R319-G416 PolarHBondContact NH2-O 3.09Å; A414-G416 PolarHBondContact O-N 2.85Å
417	Y	97.8	Very high	96.7	Very high	9 Å²	9	27.1 Å²	27.1	4%	0.035	15%	0.147	C	C	.	.	S	Bend	trans	-140	115.6	-166.4	-57.9	-93.2	0	0	0	111.1	F333 M334 S338 P362 I364 G415 V464 H466	F333-Y417 WeakPolarHBondContact O-CA 3.43Å; M334-Y417 HydrophobicContact CB-CD1 4.3Å; M334-Y417 HydrophobicContact CB-CE1 4.41Å; M334-Y417 HydrophobicContact CG-CD1 3.63Å; M334-Y417 HydrophobicContact CG-CE1 3.41Å; M334-Y417 VanDerWaalsContact CG-CE1 3.41Å; M334-Y417 HydrophobicContact SD-CE1 4.45Å; S338-Y417 VanDerWaalsContact OG-CE1 3.26Å; S338-Y417 WeakPolarHBondContact OG-CE1 3.5Å; S338-Y417 PolarHBondContact OG-OH 3.03Å; P362-Y417 HydrophobicContact CG-CG 4.5Å; I364-Y417 HydrophobicContact CD1-CD2 3.55Å; I364-Y417 HydrophobicContact CD1-CE2 4.24Å; I364-Y417 HydrophobicContact CD1-CG 4.36Å; I364-Y417 HydrophobicContact CG1-CD2 3.76Å; I364-Y417 HydrophobicContact CG1-CE2 4.39Å; I364-Y417 HydrophobicContact CG1-CG 4.25Å; I364-Y417 HydrophobicContact CG2-CD2 4.28Å; I364-Y417 HydrophobicContact CG2-CE2 4.05Å; G415-Y417 PolarHBondContact O-N 3.07Å; Y417-V464 HydrophobicContact CD1-CB 4.15Å; Y417-V464 HydrophobicContact CD1-CG1 3.69Å; Y417-V464 HydrophobicContact CE1-CB 4.35Å; Y417-V464 HydrophobicContact CE1-CG1 3.5Å; Y417-H466 HydrophobicContact CE2-CB 4.09Å; Y417-H466 AromaticContact CZ-CD2 3.89Å; Y417-H466 WeakPolarHBondContact OH-CB 3.4Å; Y417-H466 PolarHBondContact OH-CD2 3.42Å; Y417-H466 VanDerWaalsContact OH-CG 3.26Å
418	F	98.7	Very high	96.8	Very high	1 Å²	1	24.4 Å²	24.4	0%	0.004	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.3	154.7	172.8	64.2	-81.8	0	0	0	112.5	V332 F333 V359 T360 M413 I420 Y431 L445	V332-F418 CarbonylContact C-O 3.2Å; V332-F418 WeakPolarHBondContact CA-O 3.47Å; F333-F418 HydrophobicContact CB-CD1 4.19Å; F333-F418 HydrophobicContact CB-CE1 3.79Å; F333-F418 HydrophobicContact CB-CZ 4.05Å; F333-F418 HydrophobicContact CD2-CD1 4.49Å; F333-F418 AromaticContact CD2-CD2 3.98Å; F333-F418 HydrophobicContact CD2-CD2 3.98Å; F333-F418 AromaticContact CD2-CE1 3.84Å; F333-F418 HydrophobicContact CD2-CE1 3.84Å; F333-F418 AromaticContact CD2-CE2 3.27Å; F333-F418 HydrophobicContact CD2-CE2 3.27Å; F333-F418 AromaticContact CD2-CZ 3.17Å; F333-F418 HydrophobicContact CD2-CZ 3.17Å; F333-F418 AromaticContact CE2-CE2 3.67Å; F333-F418 HydrophobicContact CE2-CE2 3.67Å; F333-F418 AromaticContact CE2-CZ 3.72Å; F333-F418 HydrophobicContact CE2-CZ 3.72Å; F333-F418 HydrophobicContact CG-CE1 4.02Å; F333-F418 HydrophobicContact CG-CE2 4.25Å; F333-F418 AromaticContact CG-CZ 3.75Å; F333-F418 HydrophobicContact CG-CZ 3.75Å; F333-F418 PolarHBondContact N-O 2.96Å; F333-F418 PolarHBondContact O-N 3.19Å; V359-F418 HydrophobicContact CG1-CB 3.82Å; V359-F418 HydrophobicContact CG1-CD2 3.78Å; V359-F418 HydrophobicContact CG1-CG 4.12Å; T360-F418 CarbonylContact O-C 3.28Å; T360-F418 WeakPolarHBondContact O-CA 3.46Å; T360-F418 WeakPolarHBondContact O-CB 3.42Å; M413-F418 HydrophobicContact SD-CB 4.3Å; M413-F418 HydrophobicContact SD-CD1 4.04Å; M413-F418 HydrophobicContact SD-CG 4.14Å; F418-I420 HydrophobicContact CD2-CB 4.25Å; F418-I420 HydrophobicContact CD2-CG2 4.14Å; F418-I420 HydrophobicContact CE2-CB 4.32Å; F418-I420 HydrophobicContact CE2-CG2 3.82Å; F418-Y431 WeakPolarHBondContact CE1-OH 3.11Å; F418-Y431 HydrophobicContact CZ-CE2 4.29Å; F418-Y431 AromaticContact CZ-CZ 3.94Å; F418-Y431 WeakPolarHBondContact CZ-OH 3.2Å; F418-L445 HydrophobicContact CE1-CD2 4.42Å; F418-L445 HydrophobicContact CE2-CD2 3.77Å; F418-L445 HydrophobicContact CZ-CD2 3.65Å
419	A	98.9	Very high	96.9	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	141.4	168.6	0	0	0	0	0	110.6	V330 L331 V332 L348 I352 V359 T360	V330-A419 HydrophobicContact CG1-CB 4Å; L331-A419 CarbonylContact O-C 3.57Å; L331-A419 VanDerWaalsContact O-CA 3.25Å; L331-A419 WeakPolarHBondContact O-CA 3.23Å; V332-A419 HydrophobicContact CG2-CB 3.77Å; L348-A419 HydrophobicContact CB-CB 4.2Å; I352-A419 HydrophobicContact CD1-CB 3.81Å; V359-A419 WeakPolarHBondContact CA-O 3.43Å; T360-A419 PolarHBondContact N-O 2.85Å; T360-A419 PolarHBondContact O-N 2.64Å; T360-A419 WeakPolarHBondContact OG1-CB 3.33Å
420	I	98.8	Very high	96.9	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	139.9	179.2	-171.1	169.5	0	0	0	110.5	L331 F333 V359 F418 R422 F425 L428	L331-I420 HydrophobicContact CB-CG2 4.21Å; L331-I420 PolarHBondContact N-O 2.67Å; L331-I420 PolarHBondContact O-N 3.05Å; F333-I420 HydrophobicContact CD2-CG2 4.48Å; F333-I420 HydrophobicContact CE2-CG2 3.96Å; V359-I420 HydrophobicContact CG2-CB 4.23Å; V359-I420 HydrophobicContact CG2-CD1 3.59Å; V359-I420 HydrophobicContact CG2-CG1 3.84Å; F418-I420 HydrophobicContact CD2-CB 4.25Å; F418-I420 HydrophobicContact CD2-CG2 4.14Å; F418-I420 HydrophobicContact CE2-CB 4.32Å; F418-I420 HydrophobicContact CE2-CG2 3.82Å; I420-R422 PolarHBondContact O-N 3.48Å; I420-F425 HydrophobicContact CD1-CB 3.95Å; I420-F425 HydrophobicContact CD1-CD2 3.99Å; I420-F425 HydrophobicContact CD1-CG 4.42Å; I420-F425 HydrophobicContact CG1-CB 4.28Å; I420-F425 HydrophobicContact CG2-CB 4.01Å; I420-F425 HydrophobicContact CG2-CD2 4.38Å; I420-F425 HydrophobicContact CG2-CG 4.26Å; I420-L428 HydrophobicContact CD1-CD1 4.42Å
421	D	98.7	Very high	97	Very high	25 Å²	25	21.2 Å²	21.2	13%	0.134	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-54.3	128	169.2	173.4	-99	0	0	0	110.3	I352 R356 S423 W424 F425	I352-D421 HydrophobicContact CG2-CB 4.01Å; R356-D421 HydrophobicContact CB-CB 4.13Å; R356-D421 IonicContact NH1-OD1 3.84Å; R356-D421 PolarHBondContact NH1-OD1 3.28Å; R356-D421 VanDerWaalsContact O-CB 3.3Å; R356-D421 WeakPolarHBondContact O-CB 3.47Å; D421-S423 VanDerWaalsContact C-N 3.32Å; D421-S423 PolarHBondContact O-N 3.21Å; D421-S423 WeakPolarHBondContact OD1-CB 3.3Å; D421-S423 PolarHBondContact OD1-N 3.14Å; D421-S423 PolarHBondContact OD1-OG 2.94Å; D421-W424 HydrophobicContact CB-CB 3.88Å; D421-W424 WeakPolarHBondContact O-CB 3.32Å; D421-W424 PolarHBondContact O-N 2.92Å; D421-W424 VanDerWaalsContact O-N 3.12Å; D421-W424 WeakPolarHBondContact OD1-CB 3.13Å; D421-W424 PolarHBondContact OD1-N 2.86Å; D421-F425 PolarHBondContact O-N 3.19Å
422	R	98.6	Very high	96.9	Very high	77 Å²	77	21.4 Å²	21.4	29%	0.291	12%	0.117	S	C	.	.	H	α-helix	trans	-59.5	-45.2	-174.6	-178.3	170.3	60.3	84.7	-1.7	111.2	G328 D329 L331 I420 W424 F425 E426	G328-R422 VanDerWaalsContact O-CD 3.28Å; G328-R422 WeakPolarHBondContact O-CD 3.37Å; G328-R422 PolarHBondContact O-NE 3.18Å; D329-R422 VanDerWaalsContact O-CB 3.26Å; D329-R422 WeakPolarHBondContact O-CB 3.44Å; D329-R422 PolarHBondContact O-N 2.93Å; L331-R422 HydrophobicContact CD1-CB 4.33Å; L331-R422 HydrophobicContact CD1-CG 4.09Å; L331-R422 HydrophobicContact CD2-CB 4.4Å; L331-R422 HydrophobicContact CD2-CG 4.23Å; L331-R422 HydrophobicContact CG-CB 3.97Å; L331-R422 HydrophobicContact CG-CG 4.09Å; I420-R422 PolarHBondContact O-N 3.48Å; R422-W424 VanDerWaalsContact C-N 3.29Å; R422-W424 PolarHBondContact O-N 3.2Å; R422-F425 PolarHBondContact O-N 3.09Å; R422-E426 WeakPolarHBondContact O-CG 3.35Å; R422-E426 PolarHBondContact O-N 2.73Å; R422-E426 VanDerWaalsContact O-N 3.08Å
423	S	97.7	Very high	96.8	Very high	48 Å²	48	23.7 Å²	23.7	34%	0.336	13%	0.128	S	C	.	.	H	α-helix	trans	-65.2	-34.7	179.4	78.8	0	0	0	0	112	R356 D421 E426 E427	R356-S423 PolarHBondContact NH1-OG 3.36Å; D421-S423 VanDerWaalsContact C-N 3.32Å; D421-S423 PolarHBondContact O-N 3.21Å; D421-S423 WeakPolarHBondContact OD1-CB 3.3Å; D421-S423 PolarHBondContact OD1-N 3.14Å; D421-S423 PolarHBondContact OD1-OG 2.94Å; S423-E426 PolarHBondContact O-N 2.67Å; S423-E427 WeakPolarHBondContact O-CG 3.19Å; S423-E427 PolarHBondContact O-N 2.88Å
424	W	98.1	Very high	96.7	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-67	-44.7	174.9	-176.2	-137.9	0	0	0	112	R356 R357 D421 R422 E426 E427 L428 C452	R356-W424 VanDerWaalsContact NH1-CA 3.31Å; R356-W424 VanDerWaalsContact NH1-CB 3.35Å; R356-W424 VanDerWaalsContact NH1-N 3.18Å; R357-W424 HydrophobicContact CB-CD2 4.34Å; R357-W424 HydrophobicContact CB-CZ2 4.24Å; R357-W424 HydrophobicContact CG-CD2 3.98Å; R357-W424 HydrophobicContact CG-CE3 4.18Å; R357-W424 HydrophobicContact CG-CG 4.48Å; R357-W424 HydrophobicContact CG-CH2 4.46Å; R357-W424 HydrophobicContact CG-CZ2 4.22Å; R357-W424 HydrophobicContact CG-CZ3 4.44Å; R357-W424 VanDerWaalsContact NH1-CH2 3.27Å; R357-W424 PolarHBondContact O-NE1 3.27Å; D421-W424 HydrophobicContact CB-CB 3.88Å; D421-W424 WeakPolarHBondContact O-CB 3.32Å; D421-W424 PolarHBondContact O-N 2.92Å; D421-W424 VanDerWaalsContact O-N 3.12Å; D421-W424 WeakPolarHBondContact OD1-CB 3.13Å; D421-W424 PolarHBondContact OD1-N 2.86Å; R422-W424 VanDerWaalsContact C-N 3.29Å; R422-W424 PolarHBondContact O-N 3.2Å; W424-E426 PolarHBondContact O-N 2.86Å; W424-E427 HydrophobicContact CE3-CB 3.83Å; W424-E427 HydrophobicContact CZ3-CB 4.05Å; W424-E427 PolarHBondContact O-N 3.19Å; W424-L428 HydrophobicContact CD2-CD1 4.23Å; W424-L428 HydrophobicContact CD2-CD2 4.47Å; W424-L428 HydrophobicContact CD2-CG 3.96Å; W424-L428 HydrophobicContact CE3-CD2 4.43Å; W424-L428 HydrophobicContact CE3-CG 4.17Å; W424-L428 HydrophobicContact CH2-CD2 3.34Å; W424-L428 HydrophobicContact CH2-CG 3.91Å; W424-L428 HydrophobicContact CZ2-CD1 3.92Å; W424-L428 HydrophobicContact CZ2-CD2 3.41Å; W424-L428 VanDerWaalsContact CZ2-CD2 3.41Å; W424-L428 HydrophobicContact CZ2-CG 3.73Å; W424-L428 HydrophobicContact CZ3-CD2 3.9Å; W424-L428 HydrophobicContact CZ3-CG 4.13Å; W424-L428 WeakPolarHBondContact O-CB 3.36Å; W424-L428 WeakPolarHBondContact O-CG 3.39Å; W424-L428 PolarHBondContact O-N 3.46Å; W424-C452 HydrophobicContact CH2-CB 4.38Å; W424-C452 WeakPolarHBondContact CH2-O 3.33Å
425	F	98.5	Very high	96.8	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-58.3	-38.4	175.3	-171.7	-124	0	0	0	111.7	A323 L331 F333 I420 D421 R422 R430 Y431 L445	A323-F425 HydrophobicContact CB-CD1 4.07Å; A323-F425 HydrophobicContact CB-CE1 3.72Å; L331-F425 HydrophobicContact CD1-CB 4.5Å; L331-F425 HydrophobicContact CD1-CD1 3.83Å; L331-F425 HydrophobicContact CD1-CG 4.49Å; F333-F425 HydrophobicContact CE2-CE1 4.34Å; F333-F425 HydrophobicContact CE2-CZ 4.4Å; F333-F425 HydrophobicContact CZ-CD1 4.24Å; F333-F425 AromaticContact CZ-CE1 3.76Å; F333-F425 HydrophobicContact CZ-CE1 3.76Å; F333-F425 HydrophobicContact CZ-CZ 4.02Å; I420-F425 HydrophobicContact CD1-CB 3.95Å; I420-F425 HydrophobicContact CD1-CD2 3.99Å; I420-F425 HydrophobicContact CD1-CG 4.42Å; I420-F425 HydrophobicContact CG1-CB 4.28Å; I420-F425 HydrophobicContact CG2-CB 4.01Å; I420-F425 HydrophobicContact CG2-CD2 4.38Å; I420-F425 HydrophobicContact CG2-CG 4.26Å; D421-F425 PolarHBondContact O-N 3.19Å; R422-F425 PolarHBondContact O-N 3.09Å; F425-R430 HydrophobicContact CD1-CB 4.15Å; F425-R430 HydrophobicContact CD1-CG 3.81Å; F425-R430 HydrophobicContact CE1-CB 3.63Å; F425-R430 HydrophobicContact CE1-CG 3.7Å; F425-R430 HydrophobicContact CE2-CB 4.18Å; F425-R430 HydrophobicContact CG-CG 4.44Å; F425-R430 HydrophobicContact CZ-CB 3.66Å; F425-R430 HydrophobicContact CZ-CG 4.24Å; F425-R430 VanDerWaalsContact O-CA 3.31Å; F425-R430 WeakPolarHBondContact O-CA 3.5Å; F425-R430 PolarHBondContact O-N 3.49Å; F425-Y431 HydrophobicContact CE2-CD2 4.33Å; F425-Y431 HydrophobicContact CE2-CE2 4.44Å; F425-Y431 AromaticContact CZ-CD2 3.88Å; F425-Y431 HydrophobicContact CZ-CD2 3.88Å; F425-Y431 HydrophobicContact CZ-CE2 4.18Å; F425-Y431 HydrophobicContact CZ-CG 4.45Å; F425-L445 HydrophobicContact CE2-CD2 4.18Å
426	E	97.6	Very high	96.9	Very high	78 Å²	78	27 Å²	27	36%	0.364	14%	0.135	S	C	.	.	H	α-helix	trans	-70	-42.3	175.3	-67.9	-171.2	151.7	0	0	113.6	R422 S423 W424 L428 G429 R430	R422-E426 WeakPolarHBondContact O-CG 3.35Å; R422-E426 PolarHBondContact O-N 2.73Å; R422-E426 VanDerWaalsContact O-N 3.08Å; S423-E426 PolarHBondContact O-N 2.67Å; W424-E426 PolarHBondContact O-N 2.86Å; E426-L428 VanDerWaalsContact C-N 3.26Å; E426-L428 PolarHBondContact O-N 2.64Å; E426-G429 WeakPolarHBondContact O-CA 3.45Å; E426-G429 PolarHBondContact O-N 3.28Å; E426-R430 IonicContact OE1-CZ 3.58Å; E426-R430 IonicContact OE1-NH2 2.71Å; E426-R430 PolarHBondContact OE1-NH2 2.95Å
427	E	97.4	Very high	96.9	Very high	71 Å²	71	26.9 Å²	26.9	33%	0.332	13%	0.131	S	C	.	.	H	α-helix	trans	-60.9	-36.8	175.7	-78.9	174.6	-144.6	0	0	112.4	R356 R357 S423 W424 G429	R356-E427 IonicContact CZ-OE1 3.61Å; R356-E427 VanDerWaalsContact CZ-OE1 3.31Å; R356-E427 IonicContact CZ-OE2 3.2Å; R356-E427 IonicContact NH1-OE1 3.71Å; R356-E427 PolarHBondContact NH1-OE1 2.72Å; R356-E427 IonicContact NH2-OE1 3.96Å; R356-E427 PolarHBondContact NH2-OE1 3.19Å; R356-E427 IonicContact NH2-OE2 3.33Å; R356-E427 PolarHBondContact NH2-OE2 3.46Å; R357-E427 IonicContact NH2-OE2 3.03Å; S423-E427 WeakPolarHBondContact O-CG 3.19Å; S423-E427 PolarHBondContact O-N 2.88Å; W424-E427 HydrophobicContact CE3-CB 3.83Å; W424-E427 HydrophobicContact CZ3-CB 4.05Å; W424-E427 PolarHBondContact O-N 3.19Å; E427-G429 PolarHBondContact O-N 3.37Å
428	L	97.9	Very high	96.6	Very high	0 Å²	0	31 Å²	31	0%	0	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-5.5	171.2	-74.6	-172.1	0	0	0	113.3	I420 W424 E426 R430 L445 K448 V449 C452 L528	I420-L428 HydrophobicContact CD1-CD1 4.42Å; W424-L428 HydrophobicContact CD2-CD1 4.23Å; W424-L428 HydrophobicContact CD2-CD2 4.47Å; W424-L428 HydrophobicContact CD2-CG 3.96Å; W424-L428 HydrophobicContact CE3-CD2 4.43Å; W424-L428 HydrophobicContact CE3-CG 4.17Å; W424-L428 HydrophobicContact CH2-CD2 3.34Å; W424-L428 HydrophobicContact CH2-CG 3.91Å; W424-L428 HydrophobicContact CZ2-CD1 3.92Å; W424-L428 HydrophobicContact CZ2-CD2 3.41Å; W424-L428 VanDerWaalsContact CZ2-CD2 3.41Å; W424-L428 HydrophobicContact CZ2-CG 3.73Å; W424-L428 HydrophobicContact CZ3-CD2 3.9Å; W424-L428 HydrophobicContact CZ3-CG 4.13Å; W424-L428 WeakPolarHBondContact O-CB 3.36Å; W424-L428 WeakPolarHBondContact O-CG 3.39Å; W424-L428 PolarHBondContact O-N 3.46Å; E426-L428 VanDerWaalsContact C-N 3.26Å; E426-L428 PolarHBondContact O-N 2.64Å; L428-R430 VanDerWaalsContact C-N 3.25Å; L428-R430 PolarHBondContact O-N 2.81Å; L428-L445 HydrophobicContact CD1-CD1 4.03Å; L428-K448 HydrophobicContact CB-CD 3.66Å; L428-K448 HydrophobicContact CB-CG 4.36Å; L428-K448 HydrophobicContact CD1-CD 4.24Å; L428-K448 HydrophobicContact CD1-CG 4.3Å; L428-K448 HydrophobicContact CD2-CD 3.96Å; L428-K448 HydrophobicContact CD2-CG 3.69Å; L428-K448 HydrophobicContact CG-CD 4.15Å; L428-K448 HydrophobicContact CG-CG 4.32Å; L428-K448 VanDerWaalsContact O-CD 3.23Å; L428-K448 WeakPolarHBondContact O-CD 3.25Å; L428-K448 PolarHBondContact O-NZ 2.8Å; L428-V449 HydrophobicContact CD1-CG2 3.82Å; L428-C452 HydrophobicContact CD2-CB 4.04Å; L428-L528 HydrophobicContact CD2-CD1 3.83Å
429	G	96.7	Very high	96.2	Very high	17 Å²	17	31.1 Å²	31.1	18%	0.175	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	69.9	23.6	-175	0	0	0	0	0	113.2	E426 E427	E426-G429 WeakPolarHBondContact O-CA 3.45Å; E426-G429 PolarHBondContact O-N 3.28Å; E427-G429 PolarHBondContact O-N 3.37Å
430	R	97.4	Very high	96.1	Very high	52 Å²	52	31.1 Å²	31.1	20%	0.196	15%	0.149	C	C	.	.	S	Bend	trans	59.7	-153.2	-179.3	-52	-178.7	-178.2	123.1	-3.7	111.5	V320 F425 E426 L428 K448	V320-R430 HydrophobicContact CG2-CB 4.27Å; F425-R430 HydrophobicContact CD1-CB 4.15Å; F425-R430 HydrophobicContact CD1-CG 3.81Å; F425-R430 HydrophobicContact CE1-CB 3.63Å; F425-R430 HydrophobicContact CE1-CG 3.7Å; F425-R430 HydrophobicContact CE2-CB 4.18Å; F425-R430 HydrophobicContact CG-CG 4.44Å; F425-R430 HydrophobicContact CZ-CB 3.66Å; F425-R430 HydrophobicContact CZ-CG 4.24Å; F425-R430 VanDerWaalsContact O-CA 3.31Å; F425-R430 WeakPolarHBondContact O-CA 3.5Å; F425-R430 PolarHBondContact O-N 3.49Å; E426-R430 IonicContact OE1-CZ 3.58Å; E426-R430 IonicContact OE1-NH2 2.71Å; E426-R430 PolarHBondContact OE1-NH2 2.95Å; L428-R430 VanDerWaalsContact C-N 3.25Å; L428-R430 PolarHBondContact O-N 2.81Å; R430-K448 PolarHBondContact O-NZ 2.9Å
431	Y	97.5	Very high	96	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	15%	0.152	C	C	.	.	S	Bend	trans	-71.6	156.5	163.9	-70.7	-63.9	0	0	0	110.9	I316 R319 V320 F418 F425 E433 E441 E444 L445	I316-Y431 HydrophobicContact CG2-CD2 4.24Å; I316-Y431 HydrophobicContact CG2-CG 3.98Å; R319-Y431 HydrophobicContact CB-CD2 4.5Å; R319-Y431 HydrophobicContact CB-CE2 4.26Å; V320-Y431 HydrophobicContact CG2-CD2 4.14Å; F418-Y431 WeakPolarHBondContact CE1-OH 3.11Å; F418-Y431 HydrophobicContact CZ-CE2 4.29Å; F418-Y431 AromaticContact CZ-CZ 3.94Å; F418-Y431 WeakPolarHBondContact CZ-OH 3.2Å; F425-Y431 HydrophobicContact CE2-CD2 4.33Å; F425-Y431 HydrophobicContact CE2-CE2 4.44Å; F425-Y431 AromaticContact CZ-CD2 3.88Å; F425-Y431 HydrophobicContact CZ-CD2 3.88Å; F425-Y431 HydrophobicContact CZ-CE2 4.18Å; F425-Y431 HydrophobicContact CZ-CG 4.45Å; Y431-E433 PolarHBondContact O-N 3.3Å; Y431-E441 HydrophobicContact CD1-CB 3.83Å; Y431-E441 HydrophobicContact CE1-CB 3.7Å; Y431-E441 HydrophobicContact CE1-CG 4.05Å; Y431-E444 WeakPolarHBondContact CA-OE2 3.08Å; Y431-E444 WeakPolarHBondContact CD1-OE2 3.38Å; Y431-L445 HydrophobicContact CD1-CB 4.13Å; Y431-L445 HydrophobicContact CD1-CD2 4.34Å; Y431-L445 HydrophobicContact CE1-CB 3.61Å; Y431-L445 HydrophobicContact CE1-CD2 3.55Å; Y431-L445 HydrophobicContact CE1-CG 4.2Å
432	D	97.6	Very high	95.9	Very high	6 Å²	6	31.7 Å²	31.7	3%	0.032	15%	0.151	C	C	.	.			trans	-63.6	103.6	164.6	-178.6	19.9	0	0	0	110.2	E434 L435 E444 R490 Q521	D432-E434 PolarHBondContact O-N 2.88Å; D432-E434 PolarHBondContact OD1-N 3.17Å; D432-L435 HydrophobicContact CB-CD1 4.02Å; D432-L435 HydrophobicContact CB-CG 3.88Å; D432-L435 WeakPolarHBondContact O-CB 3.26Å; D432-L435 WeakPolarHBondContact O-CG 3.43Å; D432-L435 PolarHBondContact O-N 2.84Å; D432-E444 VanDerWaalsContact N-CD 3.35Å; D432-E444 PolarHBondContact N-OE1 2.93Å; D432-E444 VanDerWaalsContact N-OE1 3.1Å; D432-E444 PolarHBondContact N-OE2 3.15Å; D432-R490 IonicContact OD1-CZ 3.21Å; D432-R490 IonicContact OD1-NH2 2.91Å; D432-R490 PolarHBondContact OD1-NH2 3.43Å; D432-R490 VanDerWaalsContact OD1-NH2 3.13Å; D432-R490 IonicContact OD2-CZ 3.5Å; D432-R490 IonicContact OD2-NE 2.79Å; D432-R490 PolarHBondContact OD2-NE 2.84Å; D432-R490 IonicContact OD2-NH2 3.83Å; D432-R490 PolarHBondContact OD2-NH2 2.82Å; D432-Q521 HydrophobicContact CB-CG 4.06Å; D432-Q521 VanDerWaalsContact CG-NE2 3.29Å; D432-Q521 PolarHBondContact OD1-NE2 3.48Å
433	E	94.1	Very high	95.9	Very high	48 Å²	48	28 Å²	28	22%	0.224	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-11.4	-179.3	-69.1	174	-92.5	0	0	113	R317 V320 K324 Y431 K520	R317-E433 VanDerWaalsContact CZ-O 3.25Å; R317-E433 PolarHBondContact NE-O 2.67Å; R317-E433 PolarHBondContact NH2-O 2.69Å; V320-E433 HydrophobicContact CG1-CG 4.02Å; V320-E433 HydrophobicContact CG2-CG 4.41Å; K324-E433 IonicContact NZ-OE2 2.64Å; K324-E433 PolarHBondContact NZ-OE2 2.86Å; Y431-E433 PolarHBondContact O-N 3.3Å; E433-K520 IonicContact OE1-NZ 3.04Å; E433-K520 PolarHBondContact OE1-NZ 3.15Å
434	E	95	Very high	95.9	Very high	85 Å²	85	25.9 Å²	25.9	40%	0.397	12%	0.121	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.4	-8.7	172.2	-72.9	-59.9	123.2	0	0	113.9	R317 D432 M436 R486 R490	R317-E434 IonicContact NH2-OE1 3.53Å; D432-E434 PolarHBondContact O-N 2.88Å; D432-E434 PolarHBondContact OD1-N 3.17Å; E434-M436 PolarHBondContact O-N 2.8Å; E434-R486 PolarHBondContact O-NH1 3.02Å; E434-R486 IonicContact OE2-NH2 3.6Å; E434-R486 PolarHBondContact OE2-NH2 3.39Å; E434-R490 VanDerWaalsContact CB-NH2 3.33Å
435	L	95	Very high	95.9	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	12%	0.121	C	C	.	.	S	Bend	trans	-67.7	127.6	167.8	-62.1	172.9	0	0	0	109	I316 D432 E441 E444 N487 R490 V491	I316-L435 HydrophobicContact CD1-CB 3.47Å; I316-L435 VanDerWaalsContact CD1-CB 3.47Å; I316-L435 HydrophobicContact CD1-CD1 4.35Å; I316-L435 HydrophobicContact CG2-CB 4.29Å; D432-L435 HydrophobicContact CB-CD1 4.02Å; D432-L435 HydrophobicContact CB-CG 3.88Å; D432-L435 WeakPolarHBondContact O-CB 3.26Å; D432-L435 WeakPolarHBondContact O-CG 3.43Å; D432-L435 PolarHBondContact O-N 2.84Å; L435-E441 HydrophobicContact CD1-CB 4.23Å; L435-E444 HydrophobicContact CD1-CB 4.16Å; L435-E444 HydrophobicContact CD1-CG 4.27Å; L435-N487 WeakPolarHBondContact CA-OD1 3.38Å; L435-N487 HydrophobicContact CD2-CB 3.72Å; L435-R490 HydrophobicContact CD2-CB 4.12Å; L435-V491 HydrophobicContact CD2-CG2 4.32Å
436	M	92.1	Very high	95.9	Very high	39 Å²	39	25.9 Å²	25.9	19%	0.192	12%	0.121	C	C	.	.			trans	-95.3	137.6	-171.7	-60.5	-169	-60.8	0	0	110.3	E434 W438 I480 F483 N487	E434-M436 PolarHBondContact O-N 2.8Å; M436-W438 PolarHBondContact O-N 3.43Å; M436-I480 HydrophobicContact CB-CD1 4.1Å; M436-I480 HydrophobicContact CE-CD1 4.16Å; M436-I480 HydrophobicContact SD-CD1 4.12Å; M436-F483 HydrophobicContact CB-CB 4.09Å; M436-F483 HydrophobicContact CE-CB 3.41Å; M436-F483 VanDerWaalsContact CE-CB 3.41Å; M436-F483 WeakPolarHBondContact O-CD2 3.48Å; M436-N487 PolarHBondContact N-OD1 3.49Å; M436-N487 PolarHBondContact O-ND2 3.12Å
437	I	90.8	Very high	96	Very high	9 Å²	9	22.1 Å²	22.1	5%	0.046	10%	0.104	C	C	.	.	B	Isolated β-bridge	trans	62.4	-90.6	168.5	-56.8	-38.2	0	0	0	113.4	R312 G314 L315 I316 P478 I480 F483	R312-I437 VanDerWaalsContact NH2-CG2 3.32Å; G314-I437 CarbonylContact C-O 3.56Å; L315-I437 VanDerWaalsContact CB-O 3.3Å; L315-I437 WeakPolarHBondContact CB-O 3.5Å; L315-I437 PolarHBondContact N-O 2.9Å; I316-I437 PolarHBondContact N-O 2.84Å; I437-P478 HydrophobicContact CG1-CB 4.14Å; I437-P478 HydrophobicContact CG1-CG 4.25Å; I437-I480 HydrophobicContact CD1-CD1 4.38Å; I437-I480 HydrophobicContact CG1-CD1 3.69Å; I437-F483 HydrophobicContact CB-CD2 3.99Å; I437-F483 HydrophobicContact CB-CE2 3.73Å; I437-F483 HydrophobicContact CB-CZ 4.09Å; I437-F483 HydrophobicContact CG2-CE2 3.78Å; I437-F483 HydrophobicContact CG2-CZ 3.77Å
438	W	91.4	Very high	96	Very high	94 Å²	94	18.8 Å²	18.8	36%	0.356	9%	0.088	S	C	.	.	S	Bend	trans	-155.3	164.1	179.8	57.2	-106.6	0	0	0	109.9	L315 M436 F475 F483 L484 N487	L315-W438 HydrophobicContact CB-CB 4.43Å; L315-W438 HydrophobicContact CD2-CB 4.27Å; M436-W438 PolarHBondContact O-N 3.43Å; W438-F475 HydrophobicContact CZ2-CD2 4.4Å; W438-F483 HydrophobicContact CD2-CE2 4.37Å; W438-F483 HydrophobicContact CZ2-CZ 4.22Å; W438-F483 WeakPolarHBondContact O-CE2 3.23Å; W438-L484 HydrophobicContact CZ3-CD1 4.26Å; W438-L484 HydrophobicContact CZ3-CD2 4.48Å; W438-N487 PolarHBondContact O-ND2 3.2Å
439	G	91.6	Very high	96	Very high	5 Å²	5	18.8 Å²	18.8	5%	0.052	9%	0.088	C	C	.	.	S	Bend	trans	88.6	129.7	177.9	0	0	0	0	0	112.7	E441 N487	G439-E441 WeakPolarHBondContact CA-OE2 3.09Å; G439-E441 PolarHBondContact N-OE2 3.23Å; G439-N487 WeakPolarHBondContact O-CB 3.3Å; G439-N487 PolarHBondContact O-ND2 3.5Å
440	G	95.2	Very high	96.1	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	8%	0.082	C	C	.	.	S	Bend	trans	100.4	-29.2	-180	0	0	0	0	0	112.8	Q442 Y443 E444	G440-Q442 VanDerWaalsContact C-N 3.28Å; G440-Q442 PolarHBondContact O-N 3.4Å; G440-Y443 WeakPolarHBondContact O-CB 3.43Å; G440-Y443 PolarHBondContact O-N 2.64Å; G440-Y443 VanDerWaalsContact O-N 3.1Å; G440-E444 PolarHBondContact O-N 2.99Å
441	E	96.6	Very high	96.2	Very high	15 Å²	15	16.1 Å²	16.1	7%	0.07	7%	0.073	C	C	.	.	H	α-helix	trans	-62.7	-33	-178	76.9	-71.1	172.7	0	0	113.1	I316 Y431 L435 G439 Y443 E444 L445	I316-E441 HydrophobicContact CD1-CB 3.84Å; I316-E441 HydrophobicContact CD1-CG 4.31Å; I316-E441 HydrophobicContact CG1-CB 3.86Å; I316-E441 HydrophobicContact CG1-CG 3.98Å; Y431-E441 HydrophobicContact CD1-CB 3.83Å; Y431-E441 HydrophobicContact CE1-CB 3.7Å; Y431-E441 HydrophobicContact CE1-CG 4.05Å; L435-E441 HydrophobicContact CD1-CB 4.23Å; G439-E441 WeakPolarHBondContact CA-OE2 3.09Å; G439-E441 PolarHBondContact N-OE2 3.23Å; E441-Y443 VanDerWaalsContact C-N 3.32Å; E441-E444 PolarHBondContact O-N 2.88Å; E441-L445 WeakPolarHBondContact O-CB 3.26Å; E441-L445 PolarHBondContact O-N 3.33Å
442	Q	96.8	Very high	96.2	Very high	21 Å²	21	16.1 Å²	16.1	10%	0.098	7%	0.073	C	C	.	.	H	α-helix	trans	-66.5	-38	176.5	79	-76.5	32.8	0	0	111.1	G440 S446	G440-Q442 VanDerWaalsContact C-N 3.28Å; G440-Q442 PolarHBondContact O-N 3.4Å; Q442-S446 WeakPolarHBondContact O-CB 3.47Å; Q442-S446 PolarHBondContact O-N 2.96Å; Q442-S446 VanDerWaalsContact O-N 3.11Å; Q442-S446 PolarHBondContact O-OG 2.96Å
443	Y	98.4	Very high	96.2	Very high	1 Å²	1	19.7 Å²	19.7	0%	0.004	9%	0.089	C	C	.	.	H	α-helix	trans	-72.7	-45.9	174.4	-57.3	-54.6	0	0	0	110.9	F385 F389 Y391 V412 G440 E441 L445 S446 F447 Y488	F385-Y443 HydrophobicContact CB-CE1 3.77Å; F385-Y443 HydrophobicContact CD1-CD1 4.34Å; F385-Y443 HydrophobicContact CD1-CE1 4.27Å; F385-Y443 HydrophobicContact CG-CE1 4.3Å; F389-Y443 HydrophobicContact CB-CE2 4.01Å; F389-Y443 AromaticContact CD2-CD2 3.96Å; F389-Y443 HydrophobicContact CD2-CD2 3.96Å; F389-Y443 HydrophobicContact CD2-CE2 4.22Å; F389-Y443 HydrophobicContact CE2-CD2 4.22Å; F389-Y443 HydrophobicContact CG-CD2 4.19Å; F389-Y443 HydrophobicContact CG-CE2 4.09Å; F389-Y443 PolarHBondContact O-OH 3.24Å; Y391-Y443 WeakPolarHBondContact CA-OH 3.34Å; Y391-Y443 PolarHBondContact N-OH 3.3Å; V412-Y443 HydrophobicContact CG1-CD1 3.69Å; V412-Y443 HydrophobicContact CG1-CE1 3.86Å; G440-Y443 WeakPolarHBondContact O-CB 3.43Å; G440-Y443 PolarHBondContact O-N 2.64Å; G440-Y443 VanDerWaalsContact O-N 3.1Å; E441-Y443 VanDerWaalsContact C-N 3.32Å; Y443-L445 PolarHBondContact O-N 3.12Å; Y443-S446 PolarHBondContact O-N 3.44Å; Y443-F447 HydrophobicContact CD1-CZ 4.4Å; Y443-F447 VanDerWaalsContact O-CB 3.3Å; Y443-F447 WeakPolarHBondContact O-CB 3.4Å; Y443-F447 VanDerWaalsContact O-CD2 3.28Å; Y443-F447 WeakPolarHBondContact O-CD2 3.45Å; Y443-F447 WeakPolarHBondContact O-CG 3.37Å; Y443-F447 PolarHBondContact O-N 3.49Å; Y443-Y488 HydrophobicContact CD2-CE1 4.41Å; Y443-Y488 HydrophobicContact CE2-CE1 4.19Å
444	E	98.4	Very high	96.4	Very high	2 Å²	2	17.9 Å²	17.9	1%	0.009	8%	0.083	C	C	.	.	H	α-helix	trans	-53.9	-55.6	179.3	-166.8	-128.4	161.6	0	0	111.2	Y431 D432 L435 G440 E441 K448 V491	Y431-E444 WeakPolarHBondContact CA-OE2 3.08Å; Y431-E444 WeakPolarHBondContact CD1-OE2 3.38Å; D432-E444 VanDerWaalsContact N-CD 3.35Å; D432-E444 PolarHBondContact N-OE1 2.93Å; D432-E444 VanDerWaalsContact N-OE1 3.1Å; D432-E444 PolarHBondContact N-OE2 3.15Å; L435-E444 HydrophobicContact CD1-CB 4.16Å; L435-E444 HydrophobicContact CD1-CG 4.27Å; G440-E444 PolarHBondContact O-N 2.99Å; E441-E444 PolarHBondContact O-N 2.88Å; E444-K448 WeakPolarHBondContact O-CB 3.3Å; E444-K448 PolarHBondContact O-N 3.28Å; E444-K448 WeakPolarHBondContact OE1-CE 3.19Å; E444-K448 IonicContact OE1-NZ 2.62Å; E444-K448 PolarHBondContact OE1-NZ 3.15Å; E444-V491 HydrophobicContact CB-CG2 3.78Å; E444-V491 HydrophobicContact CG-CG2 4.27Å
445	L	98.3	Very high	96.5	Very high	0 Å²	0	17 Å²	17	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-71.4	-35.2	-177.3	-176.5	55.7	0	0	0	111.4	M413 F418 F425 L428 Y431 E441 Y443 K448 V449	M413-L445 HydrophobicContact CE-CB 3.51Å; M413-L445 HydrophobicContact CE-CD2 3.6Å; M413-L445 HydrophobicContact CE-CG 3.46Å; M413-L445 VanDerWaalsContact CE-CG 3.46Å; F418-L445 HydrophobicContact CE1-CD2 4.42Å; F418-L445 HydrophobicContact CE2-CD2 3.77Å; F418-L445 HydrophobicContact CZ-CD2 3.65Å; F425-L445 HydrophobicContact CE2-CD2 4.18Å; L428-L445 HydrophobicContact CD1-CD1 4.03Å; Y431-L445 HydrophobicContact CD1-CB 4.13Å; Y431-L445 HydrophobicContact CD1-CD2 4.34Å; Y431-L445 HydrophobicContact CE1-CB 3.61Å; Y431-L445 HydrophobicContact CE1-CD2 3.55Å; Y431-L445 HydrophobicContact CE1-CG 4.2Å; E441-L445 WeakPolarHBondContact O-CB 3.26Å; E441-L445 PolarHBondContact O-N 3.33Å; Y443-L445 PolarHBondContact O-N 3.12Å; L445-K448 PolarHBondContact O-N 3.15Å; L445-V449 HydrophobicContact CD1-CG2 3.88Å; L445-V449 HydrophobicContact CG-CG2 4.3Å; L445-V449 WeakPolarHBondContact O-CB 3.41Å; L445-V449 VanDerWaalsContact O-CG2 3.23Å; L445-V449 WeakPolarHBondContact O-CG2 3.41Å; L445-V449 PolarHBondContact O-N 3.17Å
446	S	98.7	Very high	96.7	Very high	0 Å²	0	17 Å²	17	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-61.9	-48.9	176.1	-62.2	0	0	0	0	112.1	V412 M413 Q442 Y443 K448 V449 W450	V412-S446 WeakPolarHBondContact CA-OG 3.46Å; M413-S446 WeakPolarHBondContact CG-OG 3.24Å; M413-S446 PolarHBondContact N-OG 3.39Å; M413-S446 VanDerWaalsContact N-OG 3.12Å; Q442-S446 WeakPolarHBondContact O-CB 3.47Å; Q442-S446 PolarHBondContact O-N 2.96Å; Q442-S446 VanDerWaalsContact O-N 3.11Å; Q442-S446 PolarHBondContact O-OG 2.96Å; Y443-S446 PolarHBondContact O-N 3.44Å; S446-K448 VanDerWaalsContact C-N 3.33Å; S446-K448 PolarHBondContact O-N 3.27Å; S446-V449 PolarHBondContact O-N 2.83Å; S446-W450 VanDerWaalsContact O-CD1 3.29Å; S446-W450 PolarHBondContact O-N 3.08Å
447	F	98.7	Very high	97	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-64	-41.8	179	-64.3	-14.6	0	0	0	111.4	F385 F389 V412 Y443 Q451 V491 W495 M496 F533 F536	F385-F447 HydrophobicContact CD1-CE1 4.38Å; F385-F447 HydrophobicContact CD1-CZ 4.13Å; F385-F447 AromaticContact CE1-CE1 3.71Å; F385-F447 HydrophobicContact CE1-CE1 3.71Å; F385-F447 AromaticContact CE1-CZ 3.53Å; F385-F447 HydrophobicContact CE1-CZ 3.53Å; F385-F447 HydrophobicContact CZ-CE1 4.48Å; F385-F447 HydrophobicContact CZ-CZ 4.03Å; F389-F447 HydrophobicContact CE1-CE2 4.47Å; F389-F447 HydrophobicContact CZ-CE2 4.11Å; V412-F447 HydrophobicContact CG2-CE1 4.25Å; Y443-F447 HydrophobicContact CD1-CZ 4.4Å; Y443-F447 VanDerWaalsContact O-CB 3.3Å; Y443-F447 WeakPolarHBondContact O-CB 3.4Å; Y443-F447 VanDerWaalsContact O-CD2 3.28Å; Y443-F447 WeakPolarHBondContact O-CD2 3.45Å; Y443-F447 WeakPolarHBondContact O-CG 3.37Å; Y443-F447 PolarHBondContact O-N 3.49Å; F447-Q451 WeakPolarHBondContact O-CB 3.47Å; F447-Q451 VanDerWaalsContact O-CG 3.27Å; F447-Q451 WeakPolarHBondContact O-CG 3.49Å; F447-Q451 PolarHBondContact O-N 2.79Å; F447-V491 HydrophobicContact CD2-CG1 3.85Å; F447-V491 HydrophobicContact CE2-CG1 3.89Å; F447-W495 HydrophobicContact CB-CB 4Å; F447-W495 HydrophobicContact CB-CG 4.34Å; F447-W495 HydrophobicContact CD2-CB 3.88Å; F447-W495 HydrophobicContact CG-CB 4.42Å; F447-M496 HydrophobicContact CE2-CG 4.08Å; F447-F533 AromaticContact CD1-CE2 3.98Å; F447-F533 HydrophobicContact CD1-CE2 3.98Å; F447-F533 HydrophobicContact CD2-CE2 4.07Å; F447-F533 AromaticContact CE1-CE2 3.89Å; F447-F533 HydrophobicContact CE1-CE2 3.89Å; F447-F533 HydrophobicContact CE1-CZ 4.36Å; F447-F533 AromaticContact CE2-CE2 3.96Å; F447-F533 HydrophobicContact CE2-CE2 3.96Å; F447-F533 HydrophobicContact CE2-CZ 4.48Å; F447-F533 HydrophobicContact CG-CE2 4.09Å; F447-F533 AromaticContact CZ-CE2 3.88Å; F447-F533 HydrophobicContact CZ-CE2 3.88Å; F447-F533 HydrophobicContact CZ-CZ 4.16Å; F447-F536 HydrophobicContact CD1-CD1 4.45Å; F447-F536 AromaticContact CD1-CE1 3.86Å; F447-F536 HydrophobicContact CD1-CE1 3.86Å; F447-F536 HydrophobicContact CD1-CZ 4.01Å; F447-F536 AromaticContact CE1-CE1 3.79Å; F447-F536 HydrophobicContact CE1-CE1 3.79Å; F447-F536 HydrophobicContact CE1-CZ 4.12Å
448	K	97.9	Very high	97.3	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-60.9	-50.2	177.6	-177.1	-179.2	-57.8	-176.9	0	111.8	L428 R430 E444 L445 S446 C452 W495	L428-K448 HydrophobicContact CB-CD 3.66Å; L428-K448 HydrophobicContact CB-CG 4.36Å; L428-K448 HydrophobicContact CD1-CD 4.24Å; L428-K448 HydrophobicContact CD1-CG 4.3Å; L428-K448 HydrophobicContact CD2-CD 3.96Å; L428-K448 HydrophobicContact CD2-CG 3.69Å; L428-K448 HydrophobicContact CG-CD 4.15Å; L428-K448 HydrophobicContact CG-CG 4.32Å; L428-K448 VanDerWaalsContact O-CD 3.23Å; L428-K448 WeakPolarHBondContact O-CD 3.25Å; L428-K448 PolarHBondContact O-NZ 2.8Å; R430-K448 PolarHBondContact O-NZ 2.9Å; E444-K448 WeakPolarHBondContact O-CB 3.3Å; E444-K448 PolarHBondContact O-N 3.28Å; E444-K448 WeakPolarHBondContact OE1-CE 3.19Å; E444-K448 IonicContact OE1-NZ 2.62Å; E444-K448 PolarHBondContact OE1-NZ 3.15Å; L445-K448 PolarHBondContact O-N 3.15Å; S446-K448 VanDerWaalsContact C-N 3.33Å; S446-K448 PolarHBondContact O-N 3.27Å; K448-C452 WeakPolarHBondContact O-CB 3.44Å; K448-C452 PolarHBondContact O-N 3.31Å; K448-C452 PolarHBondContact O-SG 3.06Å; K448-W495 HydrophobicContact CB-CH2 3.93Å; K448-W495 HydrophobicContact CB-CZ2 4.05Å; K448-W495 HydrophobicContact CB-CZ3 4.15Å; K448-W495 HydrophobicContact CD-CH2 4.3Å; K448-W495 HydrophobicContact CD-CZ2 4.22Å; K448-W495 VanDerWaalsContact CE-CZ2 3.42Å; K448-W495 HydrophobicContact CG-CH2 3.66Å; K448-W495 HydrophobicContact CG-CZ2 3.98Å; K448-W495 HydrophobicContact CG-CZ3 4.23Å
449	V	98.6	Very high	97.6	Very high	0 Å²	0	11.9 Å²	11.9	0%	0	6%	0.057	C	C	.	.	H	α-helix	trans	-58.1	-54	180	170.1	0	0	0	0	110.5	V359 L428 L445 S446 C452 G454 R455 I456	V359-V449 HydrophobicContact CG2-CG1 4.13Å; V359-V449 HydrophobicContact CG2-CG2 3.67Å; L428-V449 HydrophobicContact CD1-CG2 3.82Å; L445-V449 HydrophobicContact CD1-CG2 3.88Å; L445-V449 HydrophobicContact CG-CG2 4.3Å; L445-V449 WeakPolarHBondContact O-CB 3.41Å; L445-V449 VanDerWaalsContact O-CG2 3.23Å; L445-V449 WeakPolarHBondContact O-CG2 3.41Å; L445-V449 PolarHBondContact O-N 3.17Å; S446-V449 PolarHBondContact O-N 2.83Å; V449-C452 PolarHBondContact O-N 2.85Å; V449-G454 CarbonylContact O-C 3.58Å; V449-G454 VanDerWaalsContact O-CA 3.26Å; V449-G454 WeakPolarHBondContact O-CA 3.42Å; V449-G454 PolarHBondContact O-N 3.33Å; V449-R455 WeakPolarHBondContact CG1-O 3.42Å; V449-I456 HydrophobicContact CB-CD1 4.28Å; V449-I456 HydrophobicContact CB-CG1 4.1Å; V449-I456 HydrophobicContact CG1-CD1 4.38Å; V449-I456 HydrophobicContact CG1-CG1 3.68Å
450	W	98.6	Very high	97.8	Very high	13 Å²	13	11.6 Å²	11.6	5%	0.049	5%	0.054	C	C	.	.	H	α-helix	trans	-66	-46.6	-177.6	-77.2	115.2	0	0	0	113.3	E409 N410 P411 S446 C452 R455 I456 W535 F536 V540	E409-W450 HydrophobicContact CB-CH2 4.08Å; E409-W450 HydrophobicContact CB-CZ2 4.24Å; E409-W450 HydrophobicContact CG-CH2 4.01Å; N410-W450 PolarHBondContact O-NE1 3.49Å; P411-W450 PolarHBondContact O-NE1 2.9Å; S446-W450 VanDerWaalsContact O-CD1 3.29Å; S446-W450 PolarHBondContact O-N 3.08Å; W450-C452 VanDerWaalsContact C-N 3.29Å; W450-C452 PolarHBondContact O-N 2.94Å; W450-R455 HydrophobicContact CE3-CB 4.28Å; W450-R455 HydrophobicContact CH2-CB 3.63Å; W450-R455 HydrophobicContact CZ2-CB 4.31Å; W450-R455 HydrophobicContact CZ3-CB 3.61Å; W450-I456 HydrophobicContact CZ2-CB 4.27Å; W450-I456 VanDerWaalsContact CZ2-N 3.34Å; W450-W535 WeakPolarHBondContact O-CZ3 3.37Å; W450-F536 HydrophobicContact CB-CD2 3.62Å; W450-F536 HydrophobicContact CB-CE2 3.8Å; W450-F536 AromaticContact CD1-CE2 3.62Å; W450-F536 HydrophobicContact CG-CD2 4.05Å; W450-F536 AromaticContact CG-CE2 3.77Å; W450-F536 HydrophobicContact CG-CE2 3.77Å; W450-V540 HydrophobicContact CB-CG2 4.4Å; W450-V540 HydrophobicContact CD2-CB 4.39Å; W450-V540 HydrophobicContact CD2-CG1 3.65Å; W450-V540 HydrophobicContact CD2-CG2 3.85Å; W450-V540 HydrophobicContact CE3-CB 4.49Å; W450-V540 HydrophobicContact CE3-CG1 4.05Å; W450-V540 HydrophobicContact CE3-CG2 3.57Å; W450-V540 HydrophobicContact CG-CG1 4.05Å; W450-V540 HydrophobicContact CG-CG2 4.24Å; W450-V540 HydrophobicContact CH2-CG1 4.25Å; W450-V540 HydrophobicContact CZ2-CG1 3.9Å; W450-V540 HydrophobicContact CZ3-CG1 4.32Å; W450-V540 HydrophobicContact CZ3-CG2 4.07Å
451	Q	98.7	Very high	97.9	Very high	0 Å²	0	11.7 Å²	11.7	0%	0	6%	0.055	C	C	.	.	H	α-helix	trans	-68.4	-30.3	-179.2	-70.6	178.8	63	0	0	111.7	F447 H453 W495 R525 C530 N531 F536	F447-Q451 WeakPolarHBondContact O-CB 3.47Å; F447-Q451 VanDerWaalsContact O-CG 3.27Å; F447-Q451 WeakPolarHBondContact O-CG 3.49Å; F447-Q451 PolarHBondContact O-N 2.79Å; Q451-H453 VanDerWaalsContact C-N 3.32Å; Q451-H453 PolarHBondContact O-N 2.68Å; Q451-W495 PolarHBondContact NE2-O 3.42Å; Q451-R525 VanDerWaalsContact OE1-NH2 3.09Å; Q451-C530 HydrophobicContact CB-CB 4.11Å; Q451-C530 CarbonylContact O-C 3.2Å; Q451-C530 WeakPolarHBondContact O-CA 3.47Å; Q451-C530 WeakPolarHBondContact O-CB 2.88Å; Q451-N531 PolarHBondContact O-N 2.98Å; Q451-N531 PolarHBondContact OE1-O 3.22Å; Q451-F536 HydrophobicContact CG-CB 4.14Å
452	C	98.2	Very high	97.9	Very high	0 Å²	0	11 Å²	11	0%	0	5%	0.051	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.8	33.5	-177.7	-51.1	0	0	0	0	113.1	R357 W424 L428 K448 V449 W450 G454 L528 C530	R357-C452 PolarHBondContact NH1-O 3.44Å; W424-C452 HydrophobicContact CH2-CB 4.38Å; W424-C452 WeakPolarHBondContact CH2-O 3.33Å; L428-C452 HydrophobicContact CD2-CB 4.04Å; K448-C452 WeakPolarHBondContact O-CB 3.44Å; K448-C452 PolarHBondContact O-N 3.31Å; K448-C452 PolarHBondContact O-SG 3.06Å; V449-C452 PolarHBondContact O-N 2.85Å; W450-C452 VanDerWaalsContact C-N 3.29Å; W450-C452 PolarHBondContact O-N 2.94Å; C452-G454 PolarHBondContact O-N 3.01Å; C452-L528 HydrophobicContact CB-CB 4.37Å; C452-L528 HydrophobicContact CB-CD1 4.17Å; C452-C530 HydrophobicContact CB-CB 4.06Å; C452-C530 WeakPolarHBondContact CB-SG 3.39Å; C452-C530 WeakPolarHBondContact SG-CB 3.4Å; C452-C530 CovalentContact SG-SG 2.04Å; C452-C530 PolarHBondContact SG-SG 3.32Å
453	H	97.5	Very high	98	Very high	82 Å²	82	10.4 Å²	10.4	38%	0.38	5%	0.049	S	C	.	.	T	Hydrogen-bonded Turn	trans	69.8	26.4	169.4	-36.7	-71.1	0	0	0	114.7	Q451 L528 K529 N531	Q451-H453 VanDerWaalsContact C-N 3.32Å; Q451-H453 PolarHBondContact O-N 2.68Å; H453-L528 PolarHBondContact NE2-O 3.12Å; H453-K529 PolarHBondContact CE1-O 3.45Å; H453-K529 PolarHBondContact NE2-O 2.79Å; H453-N531 PolarHBondContact ND1-ND2 2.85Å
454	G	98.1	Very high	97.9	Very high	9 Å²	9	10.4 Å²	10.4	9%	0.093	5%	0.049	C	C	.	.			trans	-105	-173.7	166.1	0	0	0	0	0	111.9	R357 V449 C452	R357-G454 WeakPolarHBondContact O-CA 3.44Å; V449-G454 CarbonylContact O-C 3.58Å; V449-G454 VanDerWaalsContact O-CA 3.26Å; V449-G454 WeakPolarHBondContact O-CA 3.42Å; V449-G454 PolarHBondContact O-N 3.33Å; C452-G454 PolarHBondContact O-N 3.01Å
455	R	97.8	Very high	97.9	Very high	68 Å²	68	10.4 Å²	10.4	26%	0.257	5%	0.049	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-145	158.3	176.7	65.2	179.8	-178.3	173.5	2.4	110.9	E354 R357 T358 V359 V449 W450	E354-R455 IonicContact OE2-NH2 3.02Å; R357-R455 PolarHBondContact O-N 2.58Å; T358-R455 WeakPolarHBondContact CA-O 3.39Å; T358-R455 HydrophobicContact CG2-CG 4Å; T358-R455 PolarHBondContact OG1-NE 2.86Å; V359-R455 PolarHBondContact N-O 3.07Å; V449-R455 WeakPolarHBondContact CG1-O 3.42Å; W450-R455 HydrophobicContact CE3-CB 4.28Å; W450-R455 HydrophobicContact CH2-CB 3.63Å; W450-R455 HydrophobicContact CZ2-CB 4.31Å; W450-R455 HydrophobicContact CZ3-CB 3.61Å
456	I	98.8	Very high	97.9	Very high	0 Å²	0	11.5 Å²	11.5	0%	0	5%	0.054	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	128.5	176.8	-53.5	171.6	0	0	0	108.6	V359 E409 N410 M413 V449 W450	V359-I456 HydrophobicContact CB-CG1 4.29Å; V359-I456 CarbonylContact O-C 3.44Å; V359-I456 VanDerWaalsContact O-CA 3.31Å; V359-I456 WeakPolarHBondContact O-CA 3.26Å; E409-I456 WeakPolarHBondContact CA-O 3.38Å; N410-I456 HydrophobicContact CB-CG2 4.33Å; N410-I456 PolarHBondContact N-O 3.03Å; N410-I456 WeakPolarHBondContact O-CB 3.28Å; M413-I456 HydrophobicContact CB-CG2 4.35Å; V449-I456 HydrophobicContact CB-CD1 4.28Å; V449-I456 HydrophobicContact CB-CG1 4.1Å; V449-I456 HydrophobicContact CG1-CD1 4.38Å; V449-I456 HydrophobicContact CG1-CG1 3.68Å; W450-I456 HydrophobicContact CZ2-CB 4.27Å; W450-I456 VanDerWaalsContact CZ2-N 3.34Å
457	L	98.1	Very high	97.8	Very high	11 Å²	11	11.6 Å²	11.6	6%	0.058	6%	0.055	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	131	179.6	-58.6	178.9	0	0	0	110.5	P351 T358 V359 T360 C361 P407 F408 E409	P351-L457 HydrophobicContact CB-CD1 3.75Å; P351-L457 HydrophobicContact CG-CD1 4.33Å; T358-L457 HydrophobicContact CG2-CD1 3.77Å; T358-L457 HydrophobicContact CG2-CG 3.97Å; V359-L457 PolarHBondContact O-N 2.97Å; T360-L457 CarbonylContact C-O 3.59Å; T360-L457 VanDerWaalsContact CA-O 3.27Å; T360-L457 WeakPolarHBondContact CA-O 3.21Å; T360-L457 HydrophobicContact CG2-CB 4.46Å; C361-L457 PolarHBondContact N-O 2.71Å; P407-L457 HydrophobicContact CB-CB 4.26Å; P407-L457 HydrophobicContact CB-CD1 4.17Å; F408-L457 CarbonylContact O-C 3.51Å; F408-L457 VanDerWaalsContact O-CA 3.28Å; F408-L457 WeakPolarHBondContact O-CA 3.37Å; E409-L457 HydrophobicContact CB-CD2 4.45Å; E409-L457 HydrophobicContact CG-CD2 3.78Å
458	D	97.4	Very high	97.3	Very high	18 Å²	18	15.4 Å²	15.4	10%	0.096	7%	0.07	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	138.8	160.5	-73.4	0.9	0	0	0	108.4	C361 F363 P407 F408 N410 P460	C361-D458 WeakPolarHBondContact CB-OD1 3.44Å; C361-D458 CarbonylContact O-C 3.56Å; C361-D458 WeakPolarHBondContact O-CA 3.41Å; F363-D458 HydrophobicContact CE1-CB 4.24Å; P407-D458 WeakPolarHBondContact CA-O 3.04Å; F408-D458 HydrophobicContact CD2-CB 4.31Å; F408-D458 HydrophobicContact CE1-CB 3.98Å; F408-D458 HydrophobicContact CE2-CB 3.66Å; F408-D458 HydrophobicContact CZ-CB 3.47Å; F408-D458 VanDerWaalsContact CZ-CB 3.47Å; F408-D458 PolarHBondContact N-O 3.35Å; F408-D458 VanDerWaalsContact N-O 3.08Å; F408-D458 PolarHBondContact O-N 3.34Å; N410-D458 VanDerWaalsContact ND2-CG 3.34Å; N410-D458 PolarHBondContact ND2-OD1 3.21Å; N410-D458 PolarHBondContact ND2-OD2 2.93Å; N410-D458 VanDerWaalsContact ND2-OD2 3.16Å; D458-P460 WeakPolarHBondContact O-CD 3.27Å
459	V	97.1	Very high	96.8	Very high	4 Å²	4	18.3 Å²	18.3	2%	0.024	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	97.5	-172.6	-178.6	0	0	0	0	110	P347 L348 T360 C361 P407 C461 S462	P347-V459 HydrophobicContact CB-CG1 3.6Å; P347-V459 WeakPolarHBondContact O-CG1 3.17Å; L348-V459 HydrophobicContact CD2-CB 4.09Å; L348-V459 HydrophobicContact CD2-CG2 4.16Å; T360-V459 HydrophobicContact CG2-CG2 3.99Å; C361-V459 PolarHBondContact O-N 3.49Å; P407-V459 HydrophobicContact CB-CG2 4.34Å; P407-V459 HydrophobicContact CG-CG1 4.4Å; P407-V459 HydrophobicContact CG-CG2 4.31Å; V459-C461 PolarHBondContact O-N 2.84Å; V459-C461 VanDerWaalsContact O-N 3.14Å; V459-S462 PolarHBondContact O-N 3.02Å; V459-S462 VanDerWaalsContact O-O 3.13Å
460	P	95.9	Very high	96.2	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.2	-15.7	-173.3	-22.7	32.8	0	0	0	116.3	F363 P404 N406 F408 D458 H463	F363-P460 HydrophobicContact CD1-CB 4.4Å; F363-P460 HydrophobicContact CE1-CB 3.92Å; F363-P460 HydrophobicContact CE1-CG 3.77Å; F363-P460 HydrophobicContact CE2-CB 4.17Å; F363-P460 HydrophobicContact CZ-CB 3.8Å; F363-P460 HydrophobicContact CZ-CG 3.81Å; P404-P460 HydrophobicContact CB-CG 3.87Å; P404-P460 HydrophobicContact CG-CB 4.18Å; P404-P460 HydrophobicContact CG-CG 3.77Å; P404-P460 WeakPolarHBondContact O-CB 3.07Å; N406-P460 WeakPolarHBondContact O-CD 3.43Å; N406-P460 WeakPolarHBondContact O-CG 3.26Å; F408-P460 HydrophobicContact CD1-CG 4.12Å; F408-P460 HydrophobicContact CE1-CG 3.94Å; D458-P460 WeakPolarHBondContact O-CD 3.27Å; P460-H463 PolarHBondContact O-CD2 3.04Å; P460-H463 VanDerWaalsContact O-CD2 3.27Å; P460-H463 PolarHBondContact O-NE2 3.16Å
461	C	96.8	Very high	95	Very high	2 Å²	2	27.2 Å²	27.2	1%	0.014	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	-4.7	175.6	-66.2	0	0	0	0	113.3	R223 C227 P347 V405 V459	R223-C461 WeakPolarHBondContact CD-O 3.33Å; C227-C461 VanDerWaalsContact CA-SG 3.56Å; C227-C461 HydrophobicContact CB-CB 3.72Å; C227-C461 WeakPolarHBondContact CB-SG 3.43Å; C227-C461 WeakPolarHBondContact SG-CA 3.31Å; C227-C461 WeakPolarHBondContact SG-CB 3.4Å; C227-C461 CovalentContact SG-SG 2.05Å; C227-C461 PolarHBondContact SG-SG 3.1Å; P347-C461 HydrophobicContact CB-CB 4.24Å; P347-C461 HydrophobicContact CG-CB 4.25Å; V405-C461 PolarHBondContact O-SG 3.47Å; V405-C461 VanDerWaalsContact O-SG 3.39Å; V459-C461 PolarHBondContact O-N 2.84Å; V459-C461 VanDerWaalsContact O-N 3.14Å
462	S	97.8	Very high	93.8	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	128.2	171.2	-177.8	0	0	0	0	109.7	W344 L348 P362 F363 V459	W344-S462 WeakPolarHBondContact O-CB 3.4Å; W344-S462 PolarHBondContact O-OG 3.03Å; L348-S462 WeakPolarHBondContact CD1-OG 3.31Å; L348-S462 VanDerWaalsContact CG-OG 3.3Å; L348-S462 WeakPolarHBondContact CG-OG 3.47Å; P362-S462 WeakPolarHBondContact CB-OG 3.28Å; F363-S462 PolarHBondContact N-O 3.11Å; V459-S462 PolarHBondContact O-N 3.02Å; V459-S462 VanDerWaalsContact O-O 3.13Å
463	H	97.6	Very high	92.6	Very high	8 Å²	8	35.6 Å²	35.6	4%	0.037	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	132.4	-175.3	-83.5	-111.5	0	0	0	110.9	V222 R223 G341 F363 D365 P460	V222-H463 WeakPolarHBondContact CG2-ND1 3.42Å; R223-H463 HydrophobicContact CG-CB 4.49Å; R223-H463 VanDerWaalsContact CG-CD2 3.42Å; R223-H463 WeakPolarHBondContact CG-CD2 3.32Å; G341-H463 PolarHBondContact N-O 2.83Å; F363-H463 WeakPolarHBondContact O-CA 3.31Å; D365-H463 VanDerWaalsContact CG-ND1 3.33Å; D365-H463 IonicContact OD1-CE1 3.76Å; D365-H463 IonicContact OD1-ND1 2.67Å; D365-H463 PolarHBondContact OD1-ND1 3.48Å; D365-H463 VanDerWaalsContact OD1-ND1 3.15Å; D365-H463 WeakPolarHBondContact OD2-CB 3.25Å; D365-H463 IonicContact OD2-CE1 2.76Å; D365-H463 IonicContact OD2-CG 3.91Å; D365-H463 IonicContact OD2-ND1 3.94Å; D365-H463 PolarHBondContact OD2-ND1 3.45Å; P460-H463 PolarHBondContact O-CD2 3.04Å; P460-H463 VanDerWaalsContact O-CD2 3.27Å; P460-H463 PolarHBondContact O-NE2 3.16Å
464	V	98	Very high	91.3	Very high	1 Å²	1	34 Å²	34	1%	0.006	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	120.5	174.6	-177.3	0	0	0	0	108.1	M334 V340 W344 P362 F363 I364 D365 Y417	M334-V464 HydrophobicContact CG-CG1 4.33Å; M334-V464 HydrophobicContact SD-CG1 3.86Å; V340-V464 HydrophobicContact CG1-CG1 4.2Å; V340-V464 HydrophobicContact CG1-CG2 4.09Å; W344-V464 HydrophobicContact CE3-CG2 3.86Å; W344-V464 HydrophobicContact CZ3-CG2 4.27Å; P362-V464 HydrophobicContact CB-CB 4.46Å; P362-V464 HydrophobicContact CB-CG2 3.87Å; P362-V464 HydrophobicContact CG-CB 4.2Å; P362-V464 HydrophobicContact CG-CG2 3.74Å; F363-V464 PolarHBondContact O-N 2.51Å; I364-V464 CarbonylContact C-O 3.59Å; I364-V464 VanDerWaalsContact CA-O 3.3Å; I364-V464 WeakPolarHBondContact CA-O 3.5Å; D365-V464 PolarHBondContact N-O 3.34Å; Y417-V464 HydrophobicContact CD1-CB 4.15Å; Y417-V464 HydrophobicContact CD1-CG1 3.69Å; Y417-V464 HydrophobicContact CE1-CB 4.35Å; Y417-V464 HydrophobicContact CE1-CG1 3.5Å
465	A	98.1	Very high	89.8	Confident	3 Å²	3	39.2 Å²	39.2	3%	0.025	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85	137.8	178.4	0	0	0	0	0	110.5	S338 E339 D365 I367 I374	S338-A465 CarbonylContact C-O 3.51Å; S338-A465 WeakPolarHBondContact CA-O 3.47Å; S338-A465 WeakPolarHBondContact CB-O 3.33Å; E339-A465 PolarHBondContact N-O 2.86Å; E339-A465 PolarHBondContact O-N 2.97Å; D365-A465 HydrophobicContact CB-CB 3.91Å; D365-A465 WeakPolarHBondContact O-CA 3.07Å; I367-A465 HydrophobicContact CD1-CB 3.94Å; I367-A465 HydrophobicContact CG1-CB 3.5Å; I374-A465 HydrophobicContact CD1-CB 4.26Å; I374-A465 HydrophobicContact CG1-CB 4.46Å; I374-A465 HydrophobicContact CG2-CB 3.84Å
466	H	97.5	Very high	88.3	Confident	22 Å²	22	40 Å²	40	10%	0.102	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	139.8	-176	168.6	-105.9	0	0	0	111.6	H337 I364 D365 I367 Y417 Y468	H337-H466 AromaticContact CD2-CD2 3.31Å; H337-H466 PolarHBondContact CD2-CD2 3.03Å; H337-H466 AromaticContact CD2-NE2 3.25Å; H337-H466 PolarHBondContact CD2-NE2 3.3Å; H337-H466 AromaticContact NE2-CD2 3.61Å; H337-H466 AromaticContact NE2-NE2 3.12Å; H337-H466 PolarHBondContact NE2-NE2 2.55Å; H337-H466 VanDerWaalsContact NE2-NE2 3.12Å; I364-H466 HydrophobicContact CG2-CB 3.66Å; D365-H466 PolarHBondContact O-N 2.93Å; I367-H466 PolarHBondContact N-O 3.35Å; Y417-H466 HydrophobicContact CE2-CB 4.09Å; Y417-H466 AromaticContact CZ-CD2 3.89Å; Y417-H466 WeakPolarHBondContact OH-CB 3.4Å; Y417-H466 PolarHBondContact OH-CD2 3.42Å; Y417-H466 VanDerWaalsContact OH-CG 3.26Å; H466-Y468 HydrophobicContact CB-CE2 4.18Å; H466-Y468 AromaticContact CE1-CD1 3.63Å; H466-Y468 AromaticContact CE1-CE1 3.73Å; H466-Y468 AromaticContact CE1-CG 3.83Å; H466-Y468 AromaticContact ND1-CD1 3.58Å; H466-Y468 AromaticContact ND1-CD2 3.3Å; H466-Y468 VanDerWaalsContact ND1-CD2 3.3Å; H466-Y468 WeakPolarHBondContact ND1-CD2 3.5Å; H466-Y468 AromaticContact ND1-CE1 3.46Å; H466-Y468 WeakPolarHBondContact ND1-CE1 3.2Å; H466-Y468 AromaticContact ND1-CE2 3.22Å; H466-Y468 WeakPolarHBondContact ND1-CE2 3.41Å; H466-Y468 AromaticContact ND1-CG 3.53Å; H466-Y468 AromaticContact ND1-CZ 3.3Å; H466-Y468 VanDerWaalsContact ND1-CZ 3.3Å; H466-Y468 PolarHBondContact O-N 3.11Å
467	I	96.6	Very high	87.2	Confident	2 Å²	2	46.1 Å²	46.1	1%	0.01	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	111.1	171.8	-54.3	176.1	0	0	0	110.3	Y205 V252 H337 I367 F372	Y205-I467 HydrophobicContact CD1-CB 4.49Å; Y205-I467 HydrophobicContact CD1-CG2 3.62Å; Y205-I467 HydrophobicContact CE1-CG2 4.42Å; Y205-I467 HydrophobicContact CG-CG2 3.77Å; V252-I467 HydrophobicContact CG1-CD1 3.81Å; V252-I467 HydrophobicContact CG2-CD1 4.2Å; H337-I467 HydrophobicContact CB-CB 4.22Å; H337-I467 HydrophobicContact CB-CD1 4Å; H337-I467 HydrophobicContact CB-CG1 4.25Å; H337-I467 PolarHBondContact O-N 3.42Å; I367-I467 HydrophobicContact CB-CB 4.46Å; I367-I467 HydrophobicContact CB-CG1 3.71Å; I367-I467 HydrophobicContact CD1-CG1 3.95Å; I367-I467 HydrophobicContact CG1-CG1 4.37Å; I367-I467 HydrophobicContact CG2-CD1 4.47Å; I367-I467 HydrophobicContact CG2-CG1 3.76Å; F372-I467 HydrophobicContact CD1-CD1 4.47Å; F372-I467 HydrophobicContact CE1-CD1 3.56Å; F372-I467 HydrophobicContact CZ-CD1 3.67Å
468	Y	87.6	Confident	86	Confident	81 Å²	81	47.5 Å²	47.5	32%	0.318	25%	0.249	S	C	.	.			trans	-86.7	116.6	169.1	-67.6	-91.5	0	0	0	110.3	I364 V366 C369 Q377 H466 C470	I364-Y468 HydrophobicContact CG2-CE2 4.44Å; I364-Y468 WeakPolarHBondContact CG2-OH 3.17Å; V366-Y468 HydrophobicContact CB-CD2 4.42Å; V366-Y468 HydrophobicContact CG1-CD2 3.9Å; V366-Y468 HydrophobicContact CG1-CE2 4.48Å; V366-Y468 HydrophobicContact CG2-CD2 4.16Å; V366-Y468 HydrophobicContact CG2-CE2 3.96Å; C369-Y468 WeakPolarHBondContact CB-O 3.16Å; Q377-Y468 PolarHBondContact NE2-OH 3.29Å; H466-Y468 HydrophobicContact CB-CE2 4.18Å; H466-Y468 AromaticContact CE1-CD1 3.63Å; H466-Y468 AromaticContact CE1-CE1 3.73Å; H466-Y468 AromaticContact CE1-CG 3.83Å; H466-Y468 AromaticContact ND1-CD1 3.58Å; H466-Y468 AromaticContact ND1-CD2 3.3Å; H466-Y468 VanDerWaalsContact ND1-CD2 3.3Å; H466-Y468 WeakPolarHBondContact ND1-CD2 3.5Å; H466-Y468 AromaticContact ND1-CE1 3.46Å; H466-Y468 WeakPolarHBondContact ND1-CE1 3.2Å; H466-Y468 AromaticContact ND1-CE2 3.22Å; H466-Y468 WeakPolarHBondContact ND1-CE2 3.41Å; H466-Y468 AromaticContact ND1-CG 3.53Å; H466-Y468 AromaticContact ND1-CZ 3.3Å; H466-Y468 VanDerWaalsContact ND1-CZ 3.3Å; H466-Y468 PolarHBondContact O-N 3.11Å; Y468-C470 PolarHBondContact O-SG 2.97Å
469	R	88	Confident	85.1	Confident	61 Å²	61	49.7 Å²	49.7	23%	0.23	28%	0.276	C	S	.	.			trans	-60	140.5	178	-62	179.2	-171.9	-128.3	2.7	111.1	N203 G204 Y205 E248	N203-R469 VanDerWaalsContact O-CZ 3.26Å; N203-R469 PolarHBondContact O-NH1 3.48Å; G204-R469 WeakPolarHBondContact O-CA 3.26Å; Y205-R469 HydrophobicContact CD1-CG 4.11Å; E248-R469 IonicContact OE1-NH2 3.44Å
470	C	85.4	Confident	84.4	Confident	66 Å²	66	53.3 Å²	53.3	45%	0.446	30%	0.295	S	S	.	.			trans	-110.5	-76.9	-166.8	-75.1	0	0	0	0	115	Y200 G204 C369 Y468	Y200-C470 WeakPolarHBondContact OH-CB 3.19Å; G204-C470 PolarHBondContact O-N 3.24Å; C369-C470 HydrophobicContact CB-CB 3.8Å; C369-C470 WeakPolarHBondContact CB-SG 3.44Å; C369-C470 WeakPolarHBondContact SG-CB 3.39Å; C369-C470 CovalentContact SG-SG 2Å; C369-C470 PolarHBondContact SG-SG 2.85Å; Y468-C470 PolarHBondContact O-SG 2.97Å
471	K	75	Confident	83.9	Confident	133 Å²	133	55.9 Å²	55.9	58%	0.578	32%	0.321	S	S	*	.	S	Bend	trans	-91.2	-34	-168.5	-60.3	164.9	-174.9	133.4	0	113.2	Y200 D370	Y200-K471 HydrophobicContact CE1-CB 3.81Å; Y200-K471 HydrophobicContact CE1-CD 4.06Å; Y200-K471 HydrophobicContact CE1-CG 4.19Å; D370-K471 IonicContact OD1-NZ 3.87Å; D370-K471 PolarHBondContact OD1-NZ 2.72Å; D370-K471 VanDerWaalsContact OD1-NZ 3.09Å; D370-K471 IonicContact OD2-NZ 3.01Å; D370-K471 PolarHBondContact OD2-NZ 2.66Å
472	H	72.1	Confident	83.5	Confident	68 Å²	68	60.6 Å²	60.6	32%	0.315	35%	0.346	S	S	.	.			trans	-122.4	128.6	178.3	-61	-51.4	0	0	0	107.7	Y200 G204 P474	Y200-H472 AromaticContact CD1-CD2 3.94Å; G204-H472 WeakPolarHBondContact CA-O 3.14Å; H472-P474 VanDerWaalsContact C-CD 3.49Å; H472-P474 WeakPolarHBondContact O-CD 3.3Å
473	I	74.1	Confident	83.2	Confident	109 Å²	109	61.6 Å²	61.6	56%	0.559	35%	0.351	S	S	*	.			trans	-110.2	86.2	174.8	-56.6	178.2	0	0	0	105.9	F475	I473-F475 HydrophobicContact CG2-CD2 3.16Å; I473-F475 HydrophobicContact CG2-CE2 3.16Å; I473-F475 HydrophobicContact CG2-CG 4.03Å; I473-F475 HydrophobicContact CG2-CZ 4.06Å; I473-F475 PolarHBondContact O-N 3.4Å
474	P	68.7	Low	83	Confident	47 Å²	47	63.2 Å²	63.2	31%	0.305	36%	0.36	S	S	.	.			trans	-80.5	52.8	-171.8	35.8	-38	0	0	0	111.1	E202 H472 A476	E202-P474 WeakPolarHBondContact O-CG 3.43Å; H472-P474 VanDerWaalsContact C-CD 3.49Å; H472-P474 WeakPolarHBondContact O-CD 3.3Å; P474-A476 PolarHBondContact O-N 2.76Å
475	F	67.5	Low	82.8	Confident	119 Å²	119	64.1 Å²	64.1	52%	0.522	37%	0.366	S	S	.	.			trans	-78.5	98.4	165.1	-61.6	-48.3	0	0	0	107.2	W438 I473 D477	W438-F475 HydrophobicContact CZ2-CD2 4.4Å; I473-F475 HydrophobicContact CG2-CD2 3.16Å; I473-F475 HydrophobicContact CG2-CE2 3.16Å; I473-F475 HydrophobicContact CG2-CG 4.03Å; I473-F475 HydrophobicContact CG2-CZ 4.06Å; I473-F475 PolarHBondContact O-N 3.4Å; F475-D477 PolarHBondContact O-N 3.37Å
476	A	67.2	Low	82.7	Confident	84 Å²	84	65.6 Å²	65.6	69%	0.694	37%	0.371	S	S	*	.			trans	-53.7	133.5	170.9	0	0	0	0	0	109	P474 P478	P474-A476 PolarHBondContact O-N 2.76Å; A476-P478 VanDerWaalsContact O-CD 3.25Å; A476-P478 WeakPolarHBondContact O-CD 3.47Å; A476-P478 VanDerWaalsContact O-N 3.08Å
477	D	74.4	Confident	82.6	Confident	129 Å²	129	64.5 Å²	64.5	69%	0.69	37%	0.366	S	S	*	.			trans	-55.4	117.4	172.4	180	-6.3	0	0	0	107.7	F475 G479	F475-D477 PolarHBondContact O-N 3.37Å; D477-G479 PolarHBondContact O-N 2.95Å; D477-G479 PolarHBondContact OD1-N 3.34Å
478	P	73.7	Confident	82.7	Confident	40 Å²	40	65.4 Å²	65.4	26%	0.26	37%	0.369	S	S	.	.			trans	-64.8	-8.3	180	25.1	-32.1	0	0	0	113	I437 A476 I480 F483	I437-P478 HydrophobicContact CG1-CB 4.14Å; I437-P478 HydrophobicContact CG1-CG 4.25Å; A476-P478 VanDerWaalsContact O-CD 3.25Å; A476-P478 WeakPolarHBondContact O-CD 3.47Å; A476-P478 VanDerWaalsContact O-N 3.08Å; P478-I480 VanDerWaalsContact C-N 3.3Å; P478-I480 HydrophobicContact CB-CD1 4.23Å; P478-I480 HydrophobicContact CB-CG1 3.94Å; P478-I480 HydrophobicContact CG-CD1 4.18Å; P478-I480 HydrophobicContact CG-CG1 3.75Å; P478-I480 PolarHBondContact O-N 2.72Å; P478-F483 HydrophobicContact CG-CD1 3.77Å; P478-F483 HydrophobicContact CG-CE1 3.44Å; P478-F483 VanDerWaalsContact CG-CE1 3.44Å; P478-F483 HydrophobicContact CG-CZ 4.33Å
479	G	78.1	Confident	83.1	Confident	65 Å²	65	63 Å²	63	67%	0.67	36%	0.36	S	S	*	.	S	Bend	trans	73.5	23.6	177.3	0	0	0	0	0	112.9	D477	D477-G479 PolarHBondContact O-N 2.95Å; D477-G479 PolarHBondContact OD1-N 3.34Å
480	I	81.6	Confident	83.6	Confident	80 Å²	80	60.2 Å²	60.2	41%	0.41	35%	0.35	S	S	.	.	S	Bend	trans	-116.7	12.5	-177.4	62.2	171.6	0	0	0	113	M436 I437 P478 F483	M436-I480 HydrophobicContact CB-CD1 4.1Å; M436-I480 HydrophobicContact CE-CD1 4.16Å; M436-I480 HydrophobicContact SD-CD1 4.12Å; I437-I480 HydrophobicContact CD1-CD1 4.38Å; I437-I480 HydrophobicContact CG1-CD1 3.69Å; P478-I480 VanDerWaalsContact C-N 3.3Å; P478-I480 HydrophobicContact CB-CD1 4.23Å; P478-I480 HydrophobicContact CB-CG1 3.94Å; P478-I480 HydrophobicContact CG-CD1 4.18Å; P478-I480 HydrophobicContact CG-CG1 3.75Å; P478-I480 PolarHBondContact O-N 2.72Å; I480-F483 HydrophobicContact CD1-CB 3.73Å; I480-F483 HydrophobicContact CD1-CD1 4Å; I480-F483 HydrophobicContact CD1-CG 3.99Å; I480-F483 HydrophobicContact CG1-CB 4.1Å; I480-F483 HydrophobicContact CG1-CD1 3.92Å; I480-F483 HydrophobicContact CG1-CG 4.33Å
481	G	86	Confident	84.2	Confident	54 Å²	54	57.2 Å²	57.2	56%	0.557	33%	0.329	S	S	*	.			trans	72.8	-154.1	179.2	0	0	0	0	0	113.7	F483	G481-F483 WeakPolarHBondContact O-CD1 3.38Å; G481-F483 PolarHBondContact O-N 2.61Å
482	D	89	Confident	85.3	Confident	101 Å²	101	50.9 Å²	50.9	54%	0.54	30%	0.302	S	S	.	.	S	Bend	trans	-76.5	69.8	-177.5	-174.1	5.8	0	0	0	112.1	L484 S485 R486	D482-L484 PolarHBondContact O-N 3.03Å; D482-S485 VanDerWaalsContact CG-CB 3.46Å; D482-S485 WeakPolarHBondContact OD1-CB 3.46Å; D482-S485 PolarHBondContact OD1-N 3.12Å; D482-S485 PolarHBondContact OD1-OG 3.31Å; D482-S485 WeakPolarHBondContact OD2-CB 3.4Å; D482-S485 PolarHBondContact OD2-OG 3.01Å; D482-R486 PolarHBondContact O-N 3.26Å
483	F	91.6	Very high	86.6	Confident	20 Å²	20	50.1 Å²	50.1	9%	0.088	30%	0.298	C	S	.	.	H	α-helix	trans	-66.4	-28.1	177.9	67.8	-93.7	0	0	0	112.6	M436 I437 W438 P478 I480 G481 R486 N487	M436-F483 HydrophobicContact CB-CB 4.09Å; M436-F483 HydrophobicContact CE-CB 3.41Å; M436-F483 VanDerWaalsContact CE-CB 3.41Å; M436-F483 WeakPolarHBondContact O-CD2 3.48Å; I437-F483 HydrophobicContact CB-CD2 3.99Å; I437-F483 HydrophobicContact CB-CE2 3.73Å; I437-F483 HydrophobicContact CB-CZ 4.09Å; I437-F483 HydrophobicContact CG2-CE2 3.78Å; I437-F483 HydrophobicContact CG2-CZ 3.77Å; W438-F483 HydrophobicContact CD2-CE2 4.37Å; W438-F483 HydrophobicContact CZ2-CZ 4.22Å; W438-F483 WeakPolarHBondContact O-CE2 3.23Å; P478-F483 HydrophobicContact CG-CD1 3.77Å; P478-F483 HydrophobicContact CG-CE1 3.44Å; P478-F483 VanDerWaalsContact CG-CE1 3.44Å; P478-F483 HydrophobicContact CG-CZ 4.33Å; I480-F483 HydrophobicContact CD1-CB 3.73Å; I480-F483 HydrophobicContact CD1-CD1 4Å; I480-F483 HydrophobicContact CD1-CG 3.99Å; I480-F483 HydrophobicContact CG1-CB 4.1Å; I480-F483 HydrophobicContact CG1-CD1 3.92Å; I480-F483 HydrophobicContact CG1-CG 4.33Å; G481-F483 WeakPolarHBondContact O-CD1 3.38Å; G481-F483 PolarHBondContact O-N 2.61Å; F483-R486 WeakPolarHBondContact O-CB 3.22Å; F483-R486 PolarHBondContact O-N 3.19Å; F483-N487 VanDerWaalsContact O-CG 3.27Å; F483-N487 PolarHBondContact O-N 3.02Å; F483-N487 PolarHBondContact O-OD1 3.13Å
484	L	91.9	Very high	87.7	Confident	43 Å²	43	45 Å²	45	23%	0.225	27%	0.272	C	S	.	.	H	α-helix	trans	-67.6	-46	-178.4	-172.4	63.5	0	0	0	111.1	W438 D482 R486 N487 Y488	W438-L484 HydrophobicContact CZ3-CD1 4.26Å; W438-L484 HydrophobicContact CZ3-CD2 4.48Å; D482-L484 PolarHBondContact O-N 3.03Å; L484-R486 VanDerWaalsContact C-N 3.26Å; L484-R486 PolarHBondContact O-N 3.3Å; L484-N487 PolarHBondContact O-N 2.74Å; L484-Y488 HydrophobicContact CD1-CD1 4.2Å; L484-Y488 HydrophobicContact CD1-CE1 3.55Å; L484-Y488 HydrophobicContact CD1-CE2 4.2Å; L484-Y488 HydrophobicContact CD2-CE2 4.14Å; L484-Y488 HydrophobicContact CG-CD2 4.3Å; L484-Y488 HydrophobicContact CG-CE1 4.09Å; L484-Y488 HydrophobicContact CG-CE2 3.84Å; L484-Y488 WeakPolarHBondContact O-CB 3.22Å; L484-Y488 VanDerWaalsContact O-CG 3.31Å; L484-Y488 PolarHBondContact O-N 3.09Å
485	S	94.5	Very high	89.1	Confident	20 Å²	20	42.9 Å²	42.9	14%	0.14	26%	0.258	C	S	.	.	H	α-helix	trans	-60.9	-36.4	173.4	-69.6	0	0	0	0	112.2	D482 K489	D482-S485 VanDerWaalsContact CG-CB 3.46Å; D482-S485 WeakPolarHBondContact OD1-CB 3.46Å; D482-S485 PolarHBondContact OD1-N 3.12Å; D482-S485 PolarHBondContact OD1-OG 3.31Å; D482-S485 WeakPolarHBondContact OD2-CB 3.4Å; D482-S485 PolarHBondContact OD2-OG 3.01Å; S485-K489 WeakPolarHBondContact O-CB 3.3Å; S485-K489 PolarHBondContact O-N 3.25Å
486	R	95.4	Very high	90.6	Very high	33 Å²	33	37.2 Å²	37.2	13%	0.125	23%	0.233	C	C	.	.	H	α-helix	trans	-63.4	-48	173.9	179.6	173.8	172.2	-79.1	7.7	111.1	E434 D482 F483 L484 Y488 K489 R490 V513 D514	E434-R486 PolarHBondContact O-NH1 3.02Å; E434-R486 IonicContact OE2-NH2 3.6Å; E434-R486 PolarHBondContact OE2-NH2 3.39Å; D482-R486 PolarHBondContact O-N 3.26Å; F483-R486 WeakPolarHBondContact O-CB 3.22Å; F483-R486 PolarHBondContact O-N 3.19Å; L484-R486 VanDerWaalsContact C-N 3.26Å; L484-R486 PolarHBondContact O-N 3.3Å; R486-Y488 PolarHBondContact O-N 2.75Å; R486-K489 PolarHBondContact O-N 3.15Å; R486-R490 WeakPolarHBondContact O-CG 3.46Å; R486-R490 PolarHBondContact O-N 2.85Å; R486-V513 HydrophobicContact CB-CG1 3.79Å; R486-V513 HydrophobicContact CG-CG1 4.4Å; R486-D514 WeakPolarHBondContact CD-O 3.45Å; R486-D514 WeakPolarHBondContact CG-O 3.19Å
487	N	96.7	Very high	92.1	Very high	0 Å²	0	35 Å²	35	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-58.1	-48.5	178.2	-70.9	-2.4	0	0	0	111.3	L435 M436 W438 G439 F483 L484 K489 R490 V491	L435-N487 WeakPolarHBondContact CA-OD1 3.38Å; L435-N487 HydrophobicContact CD2-CB 3.72Å; M436-N487 PolarHBondContact N-OD1 3.49Å; M436-N487 PolarHBondContact O-ND2 3.12Å; W438-N487 PolarHBondContact O-ND2 3.2Å; G439-N487 WeakPolarHBondContact O-CB 3.3Å; G439-N487 PolarHBondContact O-ND2 3.5Å; F483-N487 VanDerWaalsContact O-CG 3.27Å; F483-N487 PolarHBondContact O-N 3.02Å; F483-N487 PolarHBondContact O-OD1 3.13Å; L484-N487 PolarHBondContact O-N 2.74Å; N487-K489 VanDerWaalsContact C-N 3.32Å; N487-K489 PolarHBondContact O-N 3.03Å; N487-R490 PolarHBondContact O-N 2.85Å; N487-V491 WeakPolarHBondContact O-CG2 3.5Å; N487-V491 PolarHBondContact O-N 2.99Å
488	Y	97.4	Very high	93.2	Very high	21 Å²	21	33.9 Å²	33.9	8%	0.082	20%	0.2	C	C	.	.	H	α-helix	trans	-59.8	-41.9	177.4	-69.1	-6.5	0	0	0	112.2	F389 Y443 L484 R486 V491 A492 M510	F389-Y488 HydrophobicContact CB-CD2 3.86Å; F389-Y488 HydrophobicContact CB-CE1 4.42Å; F389-Y488 HydrophobicContact CB-CE2 3.74Å; F389-Y488 HydrophobicContact CB-CG 4.24Å; F389-Y488 AromaticContact CD2-CD1 3.7Å; F389-Y488 HydrophobicContact CD2-CD1 3.7Å; F389-Y488 HydrophobicContact CD2-CD2 4.02Å; F389-Y488 HydrophobicContact CD2-CE1 4.26Å; F389-Y488 AromaticContact CD2-CG 3.55Å; F389-Y488 HydrophobicContact CD2-CG 3.55Å; F389-Y488 HydrophobicContact CE2-CD1 4.44Å; F389-Y488 HydrophobicContact CE2-CG 4.4Å; F389-Y488 HydrophobicContact CG-CD2 4.47Å; F389-Y488 HydrophobicContact CG-CG 4.42Å; F389-Y488 PolarHBondContact O-OH 3.26Å; Y443-Y488 HydrophobicContact CD2-CE1 4.41Å; Y443-Y488 HydrophobicContact CE2-CE1 4.19Å; L484-Y488 HydrophobicContact CD1-CD1 4.2Å; L484-Y488 HydrophobicContact CD1-CE1 3.55Å; L484-Y488 HydrophobicContact CD1-CE2 4.2Å; L484-Y488 HydrophobicContact CD2-CE2 4.14Å; L484-Y488 HydrophobicContact CG-CD2 4.3Å; L484-Y488 HydrophobicContact CG-CE1 4.09Å; L484-Y488 HydrophobicContact CG-CE2 3.84Å; L484-Y488 WeakPolarHBondContact O-CB 3.22Å; L484-Y488 VanDerWaalsContact O-CG 3.31Å; L484-Y488 PolarHBondContact O-N 3.09Å; R486-Y488 PolarHBondContact O-N 2.75Å; Y488-V491 PolarHBondContact O-N 3.48Å; Y488-A492 VanDerWaalsContact O-CB 3.3Å; Y488-A492 WeakPolarHBondContact O-CB 3.22Å; Y488-A492 PolarHBondContact O-N 3.43Å; Y488-M510 HydrophobicContact CD2-CE 3.81Å; Y488-M510 HydrophobicContact CG-CE 4.28Å
489	K	97.5	Very high	94.3	Very high	29 Å²	29	33.7 Å²	33.7	13%	0.126	20%	0.196	C	C	.	.	H	α-helix	trans	-61	-46.4	174.7	-173.5	173.1	-175.8	170.3	0	112	S485 R486 N487 V491 A492 E493 Y504 M510 R511 V513 A515	S485-K489 WeakPolarHBondContact O-CB 3.3Å; S485-K489 PolarHBondContact O-N 3.25Å; R486-K489 PolarHBondContact O-N 3.15Å; N487-K489 VanDerWaalsContact C-N 3.32Å; N487-K489 PolarHBondContact O-N 3.03Å; K489-V491 VanDerWaalsContact C-N 3.32Å; K489-V491 PolarHBondContact O-N 2.99Å; K489-A492 PolarHBondContact O-N 3.33Å; K489-E493 HydrophobicContact CG-CG 3.99Å; K489-E493 WeakPolarHBondContact O-CB 3.2Å; K489-E493 VanDerWaalsContact O-CG 3.31Å; K489-E493 WeakPolarHBondContact O-CG 3.33Å; K489-E493 PolarHBondContact O-N 3.47Å; K489-Y504 HydrophobicContact CG-CE1 4.49Å; K489-Y504 WeakPolarHBondContact CG-OH 3.38Å; K489-M510 HydrophobicContact CB-CG 4.13Å; K489-R511 PolarHBondContact NZ-O 3.31Å; K489-V513 HydrophobicContact CD-CB 4.34Å; K489-V513 WeakPolarHBondContact CD-O 3.42Å; K489-V513 WeakPolarHBondContact CE-O 3.45Å; K489-V513 PolarHBondContact NZ-O 2.99Å; K489-A515 HydrophobicContact CD-CB 4.08Å; K489-A515 HydrophobicContact CG-CB 4.13Å
490	R	97.9	Very high	95.2	Very high	4 Å²	4	32.8 Å²	32.8	2%	0.015	17%	0.173	C	C	.	.	H	α-helix	trans	-57.9	-45.5	178.3	-68.3	-175.6	64.2	81	3.7	111.5	D432 E434 L435 R486 N487 V494 A515 D517 L518	D432-R490 IonicContact OD1-CZ 3.21Å; D432-R490 IonicContact OD1-NH2 2.91Å; D432-R490 PolarHBondContact OD1-NH2 3.43Å; D432-R490 VanDerWaalsContact OD1-NH2 3.13Å; D432-R490 IonicContact OD2-CZ 3.5Å; D432-R490 IonicContact OD2-NE 2.79Å; D432-R490 PolarHBondContact OD2-NE 2.84Å; D432-R490 IonicContact OD2-NH2 3.83Å; D432-R490 PolarHBondContact OD2-NH2 2.82Å; E434-R490 VanDerWaalsContact CB-NH2 3.33Å; L435-R490 HydrophobicContact CD2-CB 4.12Å; R486-R490 WeakPolarHBondContact O-CG 3.46Å; R486-R490 PolarHBondContact O-N 2.85Å; N487-R490 PolarHBondContact O-N 2.85Å; R490-V494 VanDerWaalsContact O-CG2 3.3Å; R490-V494 WeakPolarHBondContact O-CG2 3.29Å; R490-V494 PolarHBondContact O-N 3.49Å; R490-A515 WeakPolarHBondContact CD-O 3.41Å; R490-A515 HydrophobicContact CG-CB 4.13Å; R490-A515 WeakPolarHBondContact CG-O 3.42Å; R490-A515 PolarHBondContact NH1-O 3.32Å; R490-D517 PolarHBondContact NH1-O 3.28Å; R490-D517 PolarHBondContact NH2-O 3.15Å; R490-L518 HydrophobicContact CB-CD2 4.07Å; R490-L518 HydrophobicContact CG-CD2 3.96Å
491	V	98.3	Very high	95.9	Very high	2 Å²	2	32.2 Å²	32.2	1%	0.012	17%	0.169	C	C	.	.	H	α-helix	trans	-62	-47.5	176	177.4	0	0	0	0	111.1	F389 L435 E444 F447 N487 Y488 K489 V494 W495	F389-V491 HydrophobicContact CE2-CB 4.23Å; F389-V491 HydrophobicContact CE2-CG1 4.14Å; F389-V491 HydrophobicContact CZ-CG1 4.17Å; L435-V491 HydrophobicContact CD2-CG2 4.32Å; E444-V491 HydrophobicContact CB-CG2 3.78Å; E444-V491 HydrophobicContact CG-CG2 4.27Å; F447-V491 HydrophobicContact CD2-CG1 3.85Å; F447-V491 HydrophobicContact CE2-CG1 3.89Å; N487-V491 WeakPolarHBondContact O-CG2 3.5Å; N487-V491 PolarHBondContact O-N 2.99Å; Y488-V491 PolarHBondContact O-N 3.48Å; K489-V491 VanDerWaalsContact C-N 3.32Å; K489-V491 PolarHBondContact O-N 2.99Å; V491-V494 PolarHBondContact O-N 3.28Å; V491-W495 WeakPolarHBondContact O-CB 3.19Å; V491-W495 PolarHBondContact O-N 3.12Å
492	A	98.2	Very high	96.3	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-64.2	-44.4	-177.3	0	0	0	0	0	112.7	Y488 K489 V494 M496 K500 L503	Y488-A492 VanDerWaalsContact O-CB 3.3Å; Y488-A492 WeakPolarHBondContact O-CB 3.22Å; Y488-A492 PolarHBondContact O-N 3.43Å; K489-A492 PolarHBondContact O-N 3.33Å; A492-V494 VanDerWaalsContact C-N 3.32Å; A492-V494 PolarHBondContact O-N 3.22Å; A492-M496 HydrophobicContact CB-CG 4.43Å; A492-M496 HydrophobicContact CB-SD 3.69Å; A492-M496 WeakPolarHBondContact O-CB 3.46Å; A492-M496 PolarHBondContact O-N 3.48Å; A492-K500 HydrophobicContact CB-CB 3.87Å; A492-L503 HydrophobicContact CB-CD2 3.79Å
493	E	98	Very high	96.5	Very high	53 Å²	53	28.7 Å²	28.7	25%	0.248	13%	0.132	C	C	.	.	H	α-helix	trans	-64.7	-34.9	179.4	-71.5	-61.2	155.2	0	0	112.9	K489 K500 Y504 L518	K489-E493 HydrophobicContact CG-CG 3.99Å; K489-E493 WeakPolarHBondContact O-CB 3.2Å; K489-E493 VanDerWaalsContact O-CG 3.31Å; K489-E493 WeakPolarHBondContact O-CG 3.33Å; K489-E493 PolarHBondContact O-N 3.47Å; E493-K500 IonicContact OE1-NZ 3.97Å; E493-K500 IonicContact OE2-NZ 3.92Å; E493-K500 PolarHBondContact OE2-NZ 2.91Å; E493-Y504 VanDerWaalsContact CD-OH 3.31Å; E493-Y504 WeakPolarHBondContact CG-OH 3.4Å; E493-Y504 WeakPolarHBondContact OE1-CE2 3.18Å; E493-Y504 PolarHBondContact OE1-OH 3.44Å; E493-L518 HydrophobicContact CB-CD1 3.49Å; E493-L518 VanDerWaalsContact CB-CD1 3.49Å; E493-L518 HydrophobicContact CG-CD1 4.14Å
494	V	98.4	Very high	96.7	Very high	1 Å²	1	28 Å²	28	1%	0.006	13%	0.128	C	C	.	.	H	α-helix	trans	-87.8	-41.4	-177.4	178.3	0	0	0	0	112.2	R490 V491 A492 L518 Q521 L522 R525	R490-V494 VanDerWaalsContact O-CG2 3.3Å; R490-V494 WeakPolarHBondContact O-CG2 3.29Å; R490-V494 PolarHBondContact O-N 3.49Å; V491-V494 PolarHBondContact O-N 3.28Å; A492-V494 VanDerWaalsContact C-N 3.32Å; A492-V494 PolarHBondContact O-N 3.22Å; V494-L518 HydrophobicContact CG2-CB 4.21Å; V494-L518 HydrophobicContact CG2-CD1 4.29Å; V494-L518 HydrophobicContact CG2-CD2 3.94Å; V494-L518 HydrophobicContact CG2-CG 4.38Å; V494-Q521 HydrophobicContact CB-CB 4.42Å; V494-Q521 HydrophobicContact CG1-CB 3.79Å; V494-Q521 HydrophobicContact CG2-CB 3.81Å; V494-L522 HydrophobicContact CG1-CD2 4.35Å; V494-L522 HydrophobicContact CG2-CD2 4.46Å; V494-R525 WeakPolarHBondContact O-CD 3.44Å; V494-R525 PolarHBondContact O-NH1 2.94Å
495	W	98.5	Very high	96.7	Very high	2 Å²	2	31.7 Å²	31.7	1%	0.008	14%	0.144	C	C	.	.	H	α-helix	trans	-115.8	-12.1	-161.8	-62.1	104.9	0	0	0	115.2	F447 K448 Q451 V491 R525 F533	F447-W495 HydrophobicContact CB-CB 4Å; F447-W495 HydrophobicContact CB-CG 4.34Å; F447-W495 HydrophobicContact CD2-CB 3.88Å; F447-W495 HydrophobicContact CG-CB 4.42Å; K448-W495 HydrophobicContact CB-CH2 3.93Å; K448-W495 HydrophobicContact CB-CZ2 4.05Å; K448-W495 HydrophobicContact CB-CZ3 4.15Å; K448-W495 HydrophobicContact CD-CH2 4.3Å; K448-W495 HydrophobicContact CD-CZ2 4.22Å; K448-W495 VanDerWaalsContact CE-CZ2 3.42Å; K448-W495 HydrophobicContact CG-CH2 3.66Å; K448-W495 HydrophobicContact CG-CZ2 3.98Å; K448-W495 HydrophobicContact CG-CZ3 4.23Å; Q451-W495 PolarHBondContact NE2-O 3.42Å; V491-W495 WeakPolarHBondContact O-CB 3.19Å; V491-W495 PolarHBondContact O-N 3.12Å; W495-R525 HydrophobicContact CE3-CG 4.4Å; W495-R525 HydrophobicContact CH2-CB 4.05Å; W495-R525 HydrophobicContact CH2-CG 4.22Å; W495-R525 HydrophobicContact CZ3-CB 4.19Å; W495-R525 HydrophobicContact CZ3-CG 3.83Å; W495-F533 WeakPolarHBondContact O-CB 3.48Å; W495-F533 WeakPolarHBondContact O-CD2 3.48Å
496	M	98.3	Very high	96.4	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	15%	0.152	C	C	.	.			trans	-104.4	-3.4	-175.3	-64.6	-179.6	75.9	0	0	115.3	F385 W387 F389 F447 A492 E498 F499 K500 L503 F533	F385-M496 HydrophobicContact CE2-CE 4.37Å; W387-M496 HydrophobicContact CE3-CE 4.38Å; W387-M496 HydrophobicContact CZ3-CE 3.82Å; F389-M496 HydrophobicContact CE1-CE 3.8Å; F389-M496 HydrophobicContact CE1-SD 3.44Å; F389-M496 WeakPolarHBondContact CE1-SD 3.1Å; F389-M496 HydrophobicContact CE2-SD 4.3Å; F389-M496 HydrophobicContact CZ-CE 4.21Å; F389-M496 HydrophobicContact CZ-CG 4.36Å; F389-M496 HydrophobicContact CZ-SD 3.21Å; F389-M496 WeakPolarHBondContact CZ-SD 3.42Å; F447-M496 HydrophobicContact CE2-CG 4.08Å; A492-M496 HydrophobicContact CB-CG 4.43Å; A492-M496 HydrophobicContact CB-SD 3.69Å; A492-M496 WeakPolarHBondContact O-CB 3.46Å; A492-M496 PolarHBondContact O-N 3.48Å; M496-E498 PolarHBondContact O-N 3.42Å; M496-F499 HydrophobicContact CE-CB 4.46Å; M496-F499 WeakPolarHBondContact O-CB 3.5Å; M496-F499 PolarHBondContact O-N 2.87Å; M496-K500 HydrophobicContact CB-CB 4.15Å; M496-L503 HydrophobicContact SD-CD2 4.36Å; M496-F533 HydrophobicContact CB-CD1 4.41Å; M496-F533 HydrophobicContact CB-CD2 4.5Å; M496-F533 HydrophobicContact CB-CE1 4.5Å; M496-F533 HydrophobicContact CB-CG 4.38Å; M496-F533 HydrophobicContact CE-CE1 4.27Å; M496-F533 HydrophobicContact CE-CZ 4.22Å; M496-F533 HydrophobicContact CG-CD2 4.37Å; M496-F533 HydrophobicContact CG-CE1 4.43Å; M496-F533 HydrophobicContact CG-CE2 4.04Å; M496-F533 HydrophobicContact CG-CZ 4.07Å
497	D	98.2	Very high	96	Very high	39 Å²	39	35 Å²	35	21%	0.209	16%	0.157	C	C	.	.	G	3₁₀ helix	trans	49.2	-126.4	-178.7	-58.3	-38.1	0	0	0	112.4	F499 K500 R525 S532 F533	D497-F499 VanDerWaalsContact C-N 3.29Å; D497-F499 PolarHBondContact O-N 3.01Å; D497-K500 VanDerWaalsContact O-CD 3.26Å; D497-K500 WeakPolarHBondContact O-CD 3.33Å; D497-K500 WeakPolarHBondContact O-CE 3.38Å; D497-K500 WeakPolarHBondContact O-CG 3.21Å; D497-R525 IonicContact OD1-CZ 3.75Å; D497-R525 IonicContact OD1-NH1 2.94Å; D497-R525 PolarHBondContact OD1-NH1 3.26Å; D497-R525 IonicContact OD1-NH2 3.98Å; D497-R525 PolarHBondContact OD1-NH2 2.82Å; D497-R525 IonicContact OD2-CZ 2.8Å; D497-R525 IonicContact OD2-NH1 2.65Å; D497-R525 IonicContact OD2-NH2 3.17Å; D497-R525 PolarHBondContact OD2-NH2 3.3Å; D497-S532 WeakPolarHBondContact OD2-CA 3.46Å; D497-S532 WeakPolarHBondContact OD2-CB 3.32Å; D497-F533 HydrophobicContact CB-CB 4.28Å; D497-F533 PolarHBondContact OD2-N 2.75Å
498	E	97.1	Very high	95.7	Very high	105 Å²	105	39.1 Å²	39.1	49%	0.491	18%	0.184	S	C	.	.	G	3₁₀ helix	trans	-69.4	-22	177.3	66.7	-86.4	-158.9	0	0	113.9	M496 K500 E501	M496-E498 PolarHBondContact O-N 3.42Å; E498-K500 PolarHBondContact O-N 2.96Å; E498-E501 WeakPolarHBondContact O-CB 3.49Å; E498-E501 WeakPolarHBondContact O-CG 3.17Å; E498-E501 PolarHBondContact O-N 3Å
499	F	97.2	Very high	95.4	Very high	36 Å²	36	47 Å²	47	16%	0.158	22%	0.219	C	C	.	.	G	3₁₀ helix	trans	-74.1	-14.2	-175.2	-68.3	-100.6	0	0	0	113	W387 M496 D497 E501 Y502 F533 K534 M537	W387-F499 HydrophobicContact CH2-CB 4.13Å; W387-F499 AromaticContact CH2-CD1 3.73Å; W387-F499 HydrophobicContact CH2-CD1 3.73Å; W387-F499 HydrophobicContact CH2-CG 4.4Å; W387-F499 HydrophobicContact CZ3-CB 4.07Å; W387-F499 HydrophobicContact CZ3-CD1 4.47Å; M496-F499 HydrophobicContact CE-CB 4.46Å; M496-F499 WeakPolarHBondContact O-CB 3.5Å; M496-F499 PolarHBondContact O-N 2.87Å; D497-F499 VanDerWaalsContact C-N 3.29Å; D497-F499 PolarHBondContact O-N 3.01Å; F499-E501 PolarHBondContact O-N 3.44Å; F499-E501 VanDerWaalsContact O-N 3.15Å; F499-Y502 HydrophobicContact CB-CD2 4.27Å; F499-Y502 HydrophobicContact CD1-CD2 4.03Å; F499-Y502 AromaticContact CD1-CE2 3.79Å; F499-Y502 HydrophobicContact CD1-CE2 3.79Å; F499-Y502 HydrophobicContact CE1-CE2 4.38Å; F499-Y502 HydrophobicContact CG-CE2 4.44Å; F499-Y502 PolarHBondContact O-N 3.47Å; F499-F533 HydrophobicContact CB-CD1 3.63Å; F499-F533 HydrophobicContact CB-CE1 3.77Å; F499-F533 HydrophobicContact CD1-CD1 4.43Å; F499-F533 HydrophobicContact CD1-CE1 4.49Å; F499-F533 AromaticContact CD2-CD1 3.61Å; F499-F533 HydrophobicContact CD2-CD1 3.61Å; F499-F533 HydrophobicContact CD2-CE1 4.41Å; F499-F533 HydrophobicContact CE2-CD1 4.36Å; F499-F533 AromaticContact CG-CD1 3.64Å; F499-F533 HydrophobicContact CG-CD1 3.64Å; F499-F533 AromaticContact CG-CE1 4Å; F499-F533 HydrophobicContact CG-CE1 4Å; F499-K534 HydrophobicContact CE2-CB 3.92Å; F499-K534 HydrophobicContact CE2-CG 4.38Å; F499-K534 HydrophobicContact CZ-CB 4.45Å; F499-K534 HydrophobicContact CZ-CG 4.47Å; F499-M537 HydrophobicContact CD1-CG 4.45Å; F499-M537 HydrophobicContact CE1-CG 4.15Å; F499-M537 HydrophobicContact CZ-CG 4.23Å
500	K	97	Very high	95.1	Very high	45 Å²	45	45.7 Å²	45.7	20%	0.196	21%	0.213	C	C	.	.	H	α-helix	trans	-57.1	-25.7	171.2	70.2	-168.1	173.3	-176.9	0	112.7	A492 E493 M496 D497 E498 Y502 L503 Y504	A492-K500 HydrophobicContact CB-CB 3.87Å; E493-K500 IonicContact OE1-NZ 3.97Å; E493-K500 IonicContact OE2-NZ 3.92Å; E493-K500 PolarHBondContact OE2-NZ 2.91Å; M496-K500 HydrophobicContact CB-CB 4.15Å; D497-K500 VanDerWaalsContact O-CD 3.26Å; D497-K500 WeakPolarHBondContact O-CD 3.33Å; D497-K500 WeakPolarHBondContact O-CE 3.38Å; D497-K500 WeakPolarHBondContact O-CG 3.21Å; E498-K500 PolarHBondContact O-N 2.96Å; K500-Y502 VanDerWaalsContact C-N 3.27Å; K500-Y502 PolarHBondContact O-N 2.83Å; K500-L503 WeakPolarHBondContact O-CB 3.47Å; K500-L503 PolarHBondContact O-N 2.85Å; K500-L503 VanDerWaalsContact O-N 3.12Å; K500-Y504 HydrophobicContact CB-CE2 4.11Å; K500-Y504 HydrophobicContact CD-CE2 4.07Å; K500-Y504 HydrophobicContact CG-CD2 4.33Å; K500-Y504 HydrophobicContact CG-CE2 3.84Å; K500-Y504 WeakPolarHBondContact O-CD2 3.49Å; K500-Y504 PolarHBondContact O-N 2.73Å
501	E	96.2	Very high	94.8	Very high	68 Å²	68	50.4 Å²	50.4	32%	0.318	23%	0.231	S	C	.	.	H	α-helix	trans	-60.5	-36.9	178.7	-67.4	-63.2	124.5	0	0	112	E498 F499 Y504 Q505 R511	E498-E501 WeakPolarHBondContact O-CB 3.49Å; E498-E501 WeakPolarHBondContact O-CG 3.17Å; E498-E501 PolarHBondContact O-N 3Å; F499-E501 PolarHBondContact O-N 3.44Å; F499-E501 VanDerWaalsContact O-N 3.15Å; E501-Y504 PolarHBondContact O-N 2.74Å; E501-Q505 VanDerWaalsContact O-CG 3.24Å; E501-Q505 WeakPolarHBondContact O-CG 3.37Å; E501-Q505 PolarHBondContact O-N 3.4Å; E501-R511 IonicContact OE1-CZ 3.63Å; E501-R511 IonicContact OE1-NH1 2.89Å; E501-R511 PolarHBondContact OE1-NH1 2.82Å; E501-R511 IonicContact OE1-NH2 3.6Å; E501-R511 PolarHBondContact OE1-NH2 3.42Å; E501-R511 IonicContact OE2-CZ 3.82Å; E501-R511 IonicContact OE2-NH1 2.79Å; E501-R511 IonicContact OE2-NH2 3.42Å; E501-R511 PolarHBondContact OE2-NH2 3.48Å
502	Y	94.4	Very high	94.5	Very high	82 Å²	82	58.1 Å²	58.1	32%	0.322	27%	0.267	S	S	.	.	H	α-helix	trans	-67.1	-37.9	176	-59.8	-60.9	0	0	0	112.2	W387 F499 K500 Q505 R506 A550	W387-Y502 HydrophobicContact CE3-CD2 4.28Å; W387-Y502 HydrophobicContact CE3-CG 4.23Å; W387-Y502 AromaticContact CH2-CD2 3.96Å; W387-Y502 HydrophobicContact CH2-CD2 3.96Å; W387-Y502 HydrophobicContact CZ2-CD2 4.42Å; W387-Y502 AromaticContact CZ3-CD2 3.87Å; W387-Y502 HydrophobicContact CZ3-CD2 3.87Å; W387-Y502 HydrophobicContact CZ3-CG 4.29Å; F499-Y502 HydrophobicContact CB-CD2 4.27Å; F499-Y502 HydrophobicContact CD1-CD2 4.03Å; F499-Y502 AromaticContact CD1-CE2 3.79Å; F499-Y502 HydrophobicContact CD1-CE2 3.79Å; F499-Y502 HydrophobicContact CE1-CE2 4.38Å; F499-Y502 HydrophobicContact CG-CE2 4.44Å; F499-Y502 PolarHBondContact O-N 3.47Å; K500-Y502 VanDerWaalsContact C-N 3.27Å; K500-Y502 PolarHBondContact O-N 2.83Å; Y502-Q505 PolarHBondContact O-N 3.08Å; Y502-R506 PolarHBondContact O-N 3.05Å; Y502-A550 HydrophobicContact CD1-CB 3.74Å; Y502-A550 HydrophobicContact CD2-CB 3.88Å; Y502-A550 HydrophobicContact CE1-CB 3.71Å; Y502-A550 HydrophobicContact CE2-CB 3.86Å; Y502-A550 HydrophobicContact CG-CB 3.83Å
503	L	94.1	Very high	94.3	Very high	0 Å²	0	59.8 Å²	59.8	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-62.7	-45.1	173.2	-179.4	65.1	0	0	0	110.9	W387 F389 A492 M496 K500 Q505 R506 N507 M510	W387-L503 WeakPolarHBondContact O-CA 3.19Å; W387-L503 WeakPolarHBondContact O-CD1 3.39Å; F389-L503 HydrophobicContact CB-CD1 4.05Å; F389-L503 HydrophobicContact CD1-CD1 3.97Å; F389-L503 HydrophobicContact CD1-CD2 4.2Å; F389-L503 HydrophobicContact CD2-CD1 4.43Å; F389-L503 HydrophobicContact CD2-CD2 3.89Å; F389-L503 HydrophobicContact CE1-CD2 4.18Å; F389-L503 HydrophobicContact CE2-CD2 3.84Å; F389-L503 HydrophobicContact CG-CD1 3.87Å; F389-L503 HydrophobicContact CG-CD2 4.08Å; F389-L503 HydrophobicContact CZ-CD2 4.02Å; A492-L503 HydrophobicContact CB-CD2 3.79Å; M496-L503 HydrophobicContact SD-CD2 4.36Å; K500-L503 WeakPolarHBondContact O-CB 3.47Å; K500-L503 PolarHBondContact O-N 2.85Å; K500-L503 VanDerWaalsContact O-N 3.12Å; L503-Q505 PolarHBondContact O-N 3.19Å; L503-R506 PolarHBondContact O-N 2.83Å; L503-N507 PolarHBondContact O-N 3.08Å; L503-M510 HydrophobicContact CD2-CE 4.48Å; L503-M510 HydrophobicContact CD2-SD 3.8Å; L503-M510 HydrophobicContact CG-CE 4.46Å; L503-M510 HydrophobicContact CG-SD 4.06Å
504	Y	95	Very high	94.1	Very high	5 Å²	5	63.2 Å²	63.2	2%	0.02	30%	0.297	C	S	.	.	H	α-helix	trans	-69	-30.7	178.9	-62.5	-27.6	0	0	0	113.6	K489 E493 K500 E501 R506 N507 P508 M510 R511	K489-Y504 HydrophobicContact CG-CE1 4.49Å; K489-Y504 WeakPolarHBondContact CG-OH 3.38Å; E493-Y504 VanDerWaalsContact CD-OH 3.31Å; E493-Y504 WeakPolarHBondContact CG-OH 3.4Å; E493-Y504 WeakPolarHBondContact OE1-CE2 3.18Å; E493-Y504 PolarHBondContact OE1-OH 3.44Å; K500-Y504 HydrophobicContact CB-CE2 4.11Å; K500-Y504 HydrophobicContact CD-CE2 4.07Å; K500-Y504 HydrophobicContact CG-CD2 4.33Å; K500-Y504 HydrophobicContact CG-CE2 3.84Å; K500-Y504 WeakPolarHBondContact O-CD2 3.49Å; K500-Y504 PolarHBondContact O-N 2.73Å; E501-Y504 PolarHBondContact O-N 2.74Å; Y504-R506 VanDerWaalsContact C-N 3.3Å; Y504-R506 PolarHBondContact O-N 2.81Å; Y504-N507 CarbonylContact O-C 3.57Å; Y504-N507 PolarHBondContact O-N 3.34Å; Y504-P508 VanDerWaalsContact O-CA 3.22Å; Y504-P508 WeakPolarHBondContact O-CA 3.38Å; Y504-P508 VanDerWaalsContact O-N 3.11Å; Y504-M510 HydrophobicContact CD1-CB 4.32Å; Y504-M510 HydrophobicContact CD1-CG 4.34Å; Y504-M510 HydrophobicContact CD1-SD 4.22Å; Y504-M510 HydrophobicContact CE1-CG 4.1Å; Y504-M510 HydrophobicContact CE1-SD 3.98Å; Y504-R511 HydrophobicContact CG-CB 4.47Å
505	Q	91.7	Very high	94	Very high	120 Å²	120	63.5 Å²	63.5	56%	0.561	30%	0.3	S	S	*	.	H	α-helix	trans	-64.1	-36.3	172.4	-74.9	167.8	14.9	0	0	111.8	E501 Y502 L503	E501-Q505 VanDerWaalsContact O-CG 3.24Å; E501-Q505 WeakPolarHBondContact O-CG 3.37Å; E501-Q505 PolarHBondContact O-N 3.4Å; Y502-Q505 PolarHBondContact O-N 3.08Å; L503-Q505 PolarHBondContact O-N 3.19Å
506	R	88.4	Confident	93.8	Very high	80 Å²	80	65 Å²	65	30%	0.302	32%	0.315	S	S	.	.	H	α-helix	trans	-81.5	-28.7	177.3	-62.3	-55.3	-174.5	-178.4	9.5	113.6	W387 R388 Y502 L503 Y504 E552	W387-R506 HydrophobicContact CB-CG 4.08Å; W387-R506 VanDerWaalsContact O-CB 3.3Å; W387-R506 WeakPolarHBondContact O-CB 3.21Å; W387-R506 WeakPolarHBondContact O-CG 3.22Å; R388-R506 HydrophobicContact CG-CB 3.74Å; R388-R506 HydrophobicContact CG-CG 4.37Å; Y502-R506 PolarHBondContact O-N 3.05Å; L503-R506 PolarHBondContact O-N 2.83Å; Y504-R506 VanDerWaalsContact C-N 3.3Å; Y504-R506 PolarHBondContact O-N 2.81Å; R506-E552 IonicContact CZ-OE2 2.84Å; R506-E552 IonicContact NH1-OE2 2.64Å; R506-E552 IonicContact NH2-OE2 3.09Å; R506-E552 PolarHBondContact NH2-OE2 3.21Å
507	N	88.4	Confident	93.8	Very high	42 Å²	42	70.1 Å²	70.1	23%	0.225	34%	0.343	C	S	.	.			trans	-125.7	70.2	178.3	-63.6	-45.3	0	0	0	111.4	R388 L503 Y504 K509 M510	R388-N507 PolarHBondContact O-ND2 3.17Å; L503-N507 PolarHBondContact O-N 3.08Å; Y504-N507 CarbonylContact O-C 3.57Å; Y504-N507 PolarHBondContact O-N 3.34Å; N507-K509 PolarHBondContact O-N 2.86Å; N507-K509 VanDerWaalsContact O-N 3.09Å; N507-M510 HydrophobicContact CB-CB 4.13Å; N507-M510 HydrophobicContact CB-CE 3.98Å; N507-M510 VanDerWaalsContact O-CB 3.23Å; N507-M510 WeakPolarHBondContact O-CB 3.41Å; N507-M510 PolarHBondContact O-N 3.43Å
508	P	90.2	Very high	93.8	Very high	88 Å²	88	69.5 Å²	69.5	57%	0.571	34%	0.339	S	S	*	.	G	3₁₀ helix	trans	-57.7	-31.7	-173.2	-27.6	35.7	0	0	0	114.7	Y504 M510 R511	Y504-P508 VanDerWaalsContact O-CA 3.22Å; Y504-P508 WeakPolarHBondContact O-CA 3.38Å; Y504-P508 VanDerWaalsContact O-N 3.11Å; P508-M510 PolarHBondContact O-N 3.45Å; P508-R511 PolarHBondContact O-N 3.14Å
509	K	89.9	Confident	93.8	Very high	185 Å²	185	68.1 Å²	68.1	80%	0.804	34%	0.341	S	S	*	.	G	3₁₀ helix	trans	-61.2	-33.2	176.9	-65	-176.3	-179.7	-179.6	0	112.4	N507 R511 Q512	N507-K509 PolarHBondContact O-N 2.86Å; N507-K509 VanDerWaalsContact O-N 3.09Å; K509-R511 PolarHBondContact O-N 2.84Å; K509-Q512 PolarHBondContact O-N 2.77Å
510	M	92.4	Very high	93.8	Very high	3 Å²	3	71.4 Å²	71.4	2%	0.015	36%	0.356	C	S	.	.	G	3₁₀ helix	trans	-62.5	-30.2	-179	-169.1	-175.9	-65.1	0	0	112	Y488 K489 L503 Y504 N507 P508 Q512 V513	Y488-M510 HydrophobicContact CD2-CE 3.81Å; Y488-M510 HydrophobicContact CG-CE 4.28Å; K489-M510 HydrophobicContact CB-CG 4.13Å; L503-M510 HydrophobicContact CD2-CE 4.48Å; L503-M510 HydrophobicContact CD2-SD 3.8Å; L503-M510 HydrophobicContact CG-CE 4.46Å; L503-M510 HydrophobicContact CG-SD 4.06Å; Y504-M510 HydrophobicContact CD1-CB 4.32Å; Y504-M510 HydrophobicContact CD1-CG 4.34Å; Y504-M510 HydrophobicContact CD1-SD 4.22Å; Y504-M510 HydrophobicContact CE1-CG 4.1Å; Y504-M510 HydrophobicContact CE1-SD 3.98Å; N507-M510 HydrophobicContact CB-CB 4.13Å; N507-M510 HydrophobicContact CB-CE 3.98Å; N507-M510 VanDerWaalsContact O-CB 3.23Å; N507-M510 WeakPolarHBondContact O-CB 3.41Å; N507-M510 PolarHBondContact O-N 3.43Å; P508-M510 PolarHBondContact O-N 3.45Å; M510-Q512 PolarHBondContact O-N 3.49Å; M510-V513 WeakPolarHBondContact O-CB 3.39Å; M510-V513 PolarHBondContact O-N 3.16Å; M510-V513 VanDerWaalsContact O-N 3.14Å
511	R	91.5	Very high	93.8	Very high	103 Å²	103	69.3 Å²	69.3	39%	0.389	35%	0.346	S	S	.	.	G	3₁₀ helix	trans	-59.9	-33.1	178.6	-171.2	174.6	-70.6	-109.9	2.5	112.3	K489 E501 Y504 P508 K509	K489-R511 PolarHBondContact NZ-O 3.31Å; E501-R511 IonicContact OE1-CZ 3.63Å; E501-R511 IonicContact OE1-NH1 2.89Å; E501-R511 PolarHBondContact OE1-NH1 2.82Å; E501-R511 IonicContact OE1-NH2 3.6Å; E501-R511 PolarHBondContact OE1-NH2 3.42Å; E501-R511 IonicContact OE2-CZ 3.82Å; E501-R511 IonicContact OE2-NH1 2.79Å; E501-R511 IonicContact OE2-NH2 3.42Å; E501-R511 PolarHBondContact OE2-NH2 3.48Å; Y504-R511 HydrophobicContact CG-CB 4.47Å; P508-R511 PolarHBondContact O-N 3.14Å; K509-R511 PolarHBondContact O-N 2.84Å
512	Q	92.2	Very high	93.9	Very high	164 Å²	164	70 Å²	70	77%	0.766	35%	0.352	S	S	*	.	G	3₁₀ helix	trans	-87.2	-8.6	-178	-55.9	-58.4	-20.5	0	0	113.8	K509 M510	K509-Q512 PolarHBondContact O-N 2.77Å; M510-Q512 PolarHBondContact O-N 3.49Å
513	V	93.3	Very high	94.1	Very high	35 Å²	35	68.8 Å²	68.8	21%	0.212	36%	0.359	C	S	.	.	S	Bend	trans	-69.3	137.4	178.6	176.3	0	0	0	0	109.6	R486 K489 M510 A515	R486-V513 HydrophobicContact CB-CG1 3.79Å; R486-V513 HydrophobicContact CG-CG1 4.4Å; K489-V513 HydrophobicContact CD-CB 4.34Å; K489-V513 WeakPolarHBondContact CD-O 3.42Å; K489-V513 WeakPolarHBondContact CE-O 3.45Å; K489-V513 PolarHBondContact NZ-O 2.99Å; M510-V513 WeakPolarHBondContact O-CB 3.39Å; M510-V513 PolarHBondContact O-N 3.16Å; M510-V513 VanDerWaalsContact O-N 3.14Å; V513-A515 PolarHBondContact O-N 2.93Å
514	D	94.4	Very high	94.2	Very high	125 Å²	125	69.7 Å²	69.7	67%	0.668	36%	0.364	S	S	*	.			trans	-74.7	124.1	172.5	-177.6	15	0	0	0	110.4	R486 G516	R486-D514 WeakPolarHBondContact CD-O 3.45Å; R486-D514 WeakPolarHBondContact CG-O 3.19Å; D514-G516 PolarHBondContact OD1-N 3.43Å
515	A	95.1	Very high	94.4	Very high	7 Å²	7	71.2 Å²	71.2	6%	0.058	37%	0.369	C	S	.	.			trans	-80	-20	177.3	0	0	0	0	0	112.1	K489 R490 V513 L518	K489-A515 HydrophobicContact CD-CB 4.08Å; K489-A515 HydrophobicContact CG-CB 4.13Å; R490-A515 WeakPolarHBondContact CD-O 3.41Å; R490-A515 HydrophobicContact CG-CB 4.13Å; R490-A515 WeakPolarHBondContact CG-O 3.42Å; R490-A515 PolarHBondContact NH1-O 3.32Å; V513-A515 PolarHBondContact O-N 2.93Å; A515-L518 HydrophobicContact CB-CD1 4.29Å; A515-L518 HydrophobicContact CB-CD2 4.39Å; A515-L518 HydrophobicContact CB-CG 4.47Å
516	G	95.5	Very high	94.7	Very high	33 Å²	33	74 Å²	74	34%	0.34	38%	0.38	S	S	.	.			trans	71.1	-163.8	-165.8	0	0	0	0	0	112.5	D514	D514-G516 PolarHBondContact OD1-N 3.43Å
517	D	97.1	Very high	95.1	Very high	108 Å²	108	78.2 Å²	78.2	58%	0.578	40%	0.4	S	S	*	.			trans	-72.4	129.6	-178.6	-177.7	25.1	0	0	0	112.2	R490 S519	R490-D517 PolarHBondContact NH1-O 3.28Å; R490-D517 PolarHBondContact NH2-O 3.15Å; D517-S519 WeakPolarHBondContact OD1-CB 3.28Å; D517-S519 PolarHBondContact OD1-N 3.36Å; D517-S519 PolarHBondContact OD1-OG 3.33Å
518	L	98.1	Very high	95.5	Very high	25 Å²	25	77.5 Å²	77.5	13%	0.131	40%	0.396	C	S	.	.			trans	-110.7	-0.1	178.5	-60.6	178.4	0	0	0	112.7	R490 E493 V494 A515 K520 Q521 L522	R490-L518 HydrophobicContact CB-CD2 4.07Å; R490-L518 HydrophobicContact CG-CD2 3.96Å; E493-L518 HydrophobicContact CB-CD1 3.49Å; E493-L518 VanDerWaalsContact CB-CD1 3.49Å; E493-L518 HydrophobicContact CG-CD1 4.14Å; V494-L518 HydrophobicContact CG2-CB 4.21Å; V494-L518 HydrophobicContact CG2-CD1 4.29Å; V494-L518 HydrophobicContact CG2-CD2 3.94Å; V494-L518 HydrophobicContact CG2-CG 4.38Å; A515-L518 HydrophobicContact CB-CD1 4.29Å; A515-L518 HydrophobicContact CB-CD2 4.39Å; A515-L518 HydrophobicContact CB-CG 4.47Å; L518-K520 VanDerWaalsContact C-N 3.33Å; L518-K520 PolarHBondContact O-N 3.16Å; L518-Q521 PolarHBondContact O-N 3.15Å; L518-Q521 VanDerWaalsContact O-N 3.11Å; L518-L522 HydrophobicContact CB-CD1 4.11Å; L518-L522 HydrophobicContact CB-CG 4.41Å; L518-L522 WeakPolarHBondContact O-CG 3.41Å; L518-L522 PolarHBondContact O-N 2.79Å
519	S	98.1	Very high	95.9	Very high	76 Å²	76	81.3 Å²	81.3	53%	0.531	40%	0.404	S	S	.	.	H	α-helix	trans	-57.6	-42.3	-170.9	-58	0	0	0	0	112.7	D517 Q521 A523	D517-S519 WeakPolarHBondContact OD1-CB 3.28Å; D517-S519 PolarHBondContact OD1-N 3.36Å; D517-S519 PolarHBondContact OD1-OG 3.33Å; S519-Q521 PolarHBondContact O-N 3.32Å; S519-A523 WeakPolarHBondContact O-CB 3.33Å; S519-A523 PolarHBondContact O-N 2.98Å
520	K	97	Very high	96.3	Very high	106 Å²	106	73.5 Å²	73.5	46%	0.461	37%	0.372	S	S	.	.	H	α-helix	trans	-60.5	-45.7	177.4	-176.1	179.8	174.1	-173.6	0	111.9	E433 L518 A523 I524	E433-K520 IonicContact OE1-NZ 3.04Å; E433-K520 PolarHBondContact OE1-NZ 3.15Å; L518-K520 VanDerWaalsContact C-N 3.33Å; L518-K520 PolarHBondContact O-N 3.16Å; K520-A523 PolarHBondContact O-N 2.68Å; K520-I524 HydrophobicContact CG-CD1 4.35Å; K520-I524 WeakPolarHBondContact O-CG1 3.08Å; K520-I524 PolarHBondContact O-N 3.45Å; K520-I524 VanDerWaalsContact O-N 3.1Å
521	Q	97.8	Very high	96.6	Very high	1 Å²	1	74.2 Å²	74.2	1%	0.005	38%	0.376	C	S	.	.	H	α-helix	trans	-71.1	-42.1	-176.8	-58.1	-53	-31.6	0	0	111.9	D432 V494 L518 S519 A523 I524 R525	D432-Q521 HydrophobicContact CB-CG 4.06Å; D432-Q521 VanDerWaalsContact CG-NE2 3.29Å; D432-Q521 PolarHBondContact OD1-NE2 3.48Å; V494-Q521 HydrophobicContact CB-CB 4.42Å; V494-Q521 HydrophobicContact CG1-CB 3.79Å; V494-Q521 HydrophobicContact CG2-CB 3.81Å; L518-Q521 PolarHBondContact O-N 3.15Å; L518-Q521 VanDerWaalsContact O-N 3.11Å; S519-Q521 PolarHBondContact O-N 3.32Å; Q521-A523 VanDerWaalsContact C-N 3.31Å; Q521-A523 PolarHBondContact O-N 2.85Å; Q521-I524 PolarHBondContact O-N 3.46Å; Q521-R525 PolarHBondContact O-N 3.05Å; Q521-R525 VanDerWaalsContact O-N 3.1Å
522	L	98.1	Very high	96.9	Very high	81 Å²	81	71.7 Å²	71.7	42%	0.424	37%	0.374	S	S	.	.	H	α-helix	trans	-62.6	-38.3	173.7	-67.5	169.8	0	0	0	111.8	V494 L518 R525 K526	V494-L522 HydrophobicContact CG1-CD2 4.35Å; V494-L522 HydrophobicContact CG2-CD2 4.46Å; L518-L522 HydrophobicContact CB-CD1 4.11Å; L518-L522 HydrophobicContact CB-CG 4.41Å; L518-L522 WeakPolarHBondContact O-CG 3.41Å; L518-L522 PolarHBondContact O-N 2.79Å; L522-R525 PolarHBondContact O-N 3.41Å; L522-K526 PolarHBondContact O-N 3.29Å
523	A	98	Very high	97.2	Very high	58 Å²	58	63.9 Å²	63.9	48%	0.479	34%	0.338	S	S	.	.	H	α-helix	trans	-64.2	-40.6	176.8	0	0	0	0	0	112.2	S519 K520 Q521 K526 K527	S519-A523 WeakPolarHBondContact O-CB 3.33Å; S519-A523 PolarHBondContact O-N 2.98Å; K520-A523 PolarHBondContact O-N 2.68Å; Q521-A523 VanDerWaalsContact C-N 3.31Å; Q521-A523 PolarHBondContact O-N 2.85Å; A523-K526 PolarHBondContact O-N 3.4Å; A523-K527 VanDerWaalsContact O-CB 3.22Å; A523-K527 WeakPolarHBondContact O-CB 3.45Å; A523-K527 PolarHBondContact O-N 3.31Å
524	I	96.9	Very high	97.4	Very high	19 Å²	19	68 Å²	68	10%	0.097	35%	0.353	C	S	.	.	H	α-helix	trans	-61.6	-49.4	174.6	-68.1	158.8	0	0	0	110.3	K520 Q521 K526 K527 L528	K520-I524 HydrophobicContact CG-CD1 4.35Å; K520-I524 WeakPolarHBondContact O-CG1 3.08Å; K520-I524 PolarHBondContact O-N 3.45Å; K520-I524 VanDerWaalsContact O-N 3.1Å; Q521-I524 PolarHBondContact O-N 3.46Å; I524-K526 VanDerWaalsContact C-N 3.27Å; I524-K526 PolarHBondContact O-N 3.24Å; I524-K527 PolarHBondContact O-N 2.9Å; I524-K527 VanDerWaalsContact O-N 3.13Å; I524-L528 HydrophobicContact CG2-CD1 3.83Å; I524-L528 HydrophobicContact CG2-CG 4.38Å; I524-L528 PolarHBondContact O-N 2.73Å
525	R	97.7	Very high	97.6	Very high	36 Å²	36	66 Å²	66	14%	0.136	34%	0.336	C	S	.	.	H	α-helix	trans	-57.1	-41.3	179.9	-168.3	174	-178.2	-145.9	-5.5	112.1	Q451 V494 W495 D497 Q521 L522 K529 C530	Q451-R525 VanDerWaalsContact OE1-NH2 3.09Å; V494-R525 WeakPolarHBondContact O-CD 3.44Å; V494-R525 PolarHBondContact O-NH1 2.94Å; W495-R525 HydrophobicContact CE3-CG 4.4Å; W495-R525 HydrophobicContact CH2-CB 4.05Å; W495-R525 HydrophobicContact CH2-CG 4.22Å; W495-R525 HydrophobicContact CZ3-CB 4.19Å; W495-R525 HydrophobicContact CZ3-CG 3.83Å; D497-R525 IonicContact OD1-CZ 3.75Å; D497-R525 IonicContact OD1-NH1 2.94Å; D497-R525 PolarHBondContact OD1-NH1 3.26Å; D497-R525 IonicContact OD1-NH2 3.98Å; D497-R525 PolarHBondContact OD1-NH2 2.82Å; D497-R525 IonicContact OD2-CZ 2.8Å; D497-R525 IonicContact OD2-NH1 2.65Å; D497-R525 IonicContact OD2-NH2 3.17Å; D497-R525 PolarHBondContact OD2-NH2 3.3Å; Q521-R525 PolarHBondContact O-N 3.05Å; Q521-R525 VanDerWaalsContact O-N 3.1Å; L522-R525 PolarHBondContact O-N 3.41Å; R525-K529 PolarHBondContact O-N 3.27Å; R525-C530 HydrophobicContact CG-CB 3.96Å; R525-C530 PolarHBondContact O-N 2.99Å; R525-C530 PolarHBondContact O-SG 3.5Å
526	K	97.8	Very high	97.8	Very high	179 Å²	179	65.7 Å²	65.7	78%	0.778	33%	0.333	S	S	*	.	H	α-helix	trans	-68.5	-46.8	174.3	-176.3	175.3	176.1	178.1	0	112.4	L522 A523 I524 L528 K529	L522-K526 PolarHBondContact O-N 3.29Å; A523-K526 PolarHBondContact O-N 3.4Å; I524-K526 VanDerWaalsContact C-N 3.27Å; I524-K526 PolarHBondContact O-N 3.24Å; K526-L528 VanDerWaalsContact C-N 3.33Å; K526-L528 PolarHBondContact O-N 2.83Å; K526-K529 PolarHBondContact O-N 3.01Å; K526-K529 VanDerWaalsContact O-N 3.16Å
527	K	97.6	Very high	97.9	Very high	168 Å²	168	65.2 Å²	65.2	73%	0.73	32%	0.322	S	S	*	.	H	α-helix	trans	-57.8	-44.7	-178.9	178.9	-174	175	-171.5	0	111.7	A523 I524 K529	A523-K527 VanDerWaalsContact O-CB 3.22Å; A523-K527 WeakPolarHBondContact O-CB 3.45Å; A523-K527 PolarHBondContact O-N 3.31Å; I524-K527 PolarHBondContact O-N 2.9Å; I524-K527 VanDerWaalsContact O-N 3.13Å; K527-K529 VanDerWaalsContact C-N 3.27Å; K527-K529 PolarHBondContact O-N 3.31Å
528	L	97.2	Very high	97.9	Very high	28 Å²	28	64.1 Å²	64.1	15%	0.147	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.7	1.3	-178	-64.6	179.6	0	0	0	113.7	L428 C452 H453 I524 K526 C530	L428-L528 HydrophobicContact CD2-CD1 3.83Å; C452-L528 HydrophobicContact CB-CB 4.37Å; C452-L528 HydrophobicContact CB-CD1 4.17Å; H453-L528 PolarHBondContact NE2-O 3.12Å; I524-L528 HydrophobicContact CG2-CD1 3.83Å; I524-L528 HydrophobicContact CG2-CG 4.38Å; I524-L528 PolarHBondContact O-N 2.73Å; K526-L528 VanDerWaalsContact C-N 3.33Å; K526-L528 PolarHBondContact O-N 2.83Å; L528-C530 VanDerWaalsContact CB-SG 3.56Å; L528-C530 PolarHBondContact O-N 3.45Å
529	K	97.9	Very high	97.8	Very high	168 Å²	168	67.2 Å²	67.2	73%	0.73	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.9	47	-178.2	-57	179.3	-178.3	177.5	0	111.6	H453 R525 K526 K527	H453-K529 PolarHBondContact CE1-O 3.45Å; H453-K529 PolarHBondContact NE2-O 2.79Å; R525-K529 PolarHBondContact O-N 3.27Å; K526-K529 PolarHBondContact O-N 3.01Å; K526-K529 VanDerWaalsContact O-N 3.16Å; K527-K529 VanDerWaalsContact C-N 3.27Å; K527-K529 PolarHBondContact O-N 3.31Å
530	C	98.4	Very high	97.8	Very high	21 Å²	21	64.1 Å²	64.1	14%	0.142	31%	0.314	C	S	.	.	P	Polyproline II helix	trans	-66.6	147	-175.9	-49.3	0	0	0	0	110.7	Q451 C452 R525 L528	Q451-C530 HydrophobicContact CB-CB 4.11Å; Q451-C530 CarbonylContact O-C 3.2Å; Q451-C530 WeakPolarHBondContact O-CA 3.47Å; Q451-C530 WeakPolarHBondContact O-CB 2.88Å; C452-C530 HydrophobicContact CB-CB 4.06Å; C452-C530 WeakPolarHBondContact CB-SG 3.39Å; C452-C530 WeakPolarHBondContact SG-CB 3.4Å; C452-C530 CovalentContact SG-SG 2.04Å; C452-C530 PolarHBondContact SG-SG 3.32Å; R525-C530 HydrophobicContact CG-CB 3.96Å; R525-C530 PolarHBondContact O-N 2.99Å; R525-C530 PolarHBondContact O-SG 3.5Å; L528-C530 VanDerWaalsContact CB-SG 3.56Å; L528-C530 PolarHBondContact O-N 3.45Å
531	N	98.6	Very high	97.7	Very high	17 Å²	17	59.1 Å²	59.1	9%	0.091	29%	0.293	C	S	.	.	P	Polyproline II helix	trans	-65.5	163	173.3	-61.6	-47.9	0	0	0	110.7	K32 Q451 H453 W535	K32-N531 PolarHBondContact NZ-OD1 3.32Å; Q451-N531 PolarHBondContact O-N 2.98Å; Q451-N531 PolarHBondContact OE1-O 3.22Å; H453-N531 PolarHBondContact ND1-ND2 2.85Å; N531-W535 HydrophobicContact CB-CB 3.9Å; N531-W535 HydrophobicContact CB-CD2 3.59Å; N531-W535 HydrophobicContact CB-CE3 3.65Å; N531-W535 HydrophobicContact CB-CG 3.69Å; N531-W535 HydrophobicContact CB-CZ3 4.47Å
532	S	98.5	Very high	97.7	Very high	51 Å²	51	64.7 Å²	64.7	36%	0.357	32%	0.317	S	S	.	.	P	Polyproline II helix	trans	-73	164.6	176.9	61.8	0	0	0	0	112.1	D497 K534 W535 F536	D497-S532 WeakPolarHBondContact OD2-CA 3.46Å; D497-S532 WeakPolarHBondContact OD2-CB 3.32Å; S532-K534 VanDerWaalsContact C-N 3.26Å; S532-K534 PolarHBondContact O-N 3.07Å; S532-W535 WeakPolarHBondContact O-CB 3.32Å; S532-W535 PolarHBondContact O-N 3.49Å; S532-W535 VanDerWaalsContact O-N 3.15Å; S532-W535 PolarHBondContact OG-N 2.92Å; S532-F536 PolarHBondContact O-N 3.5Å
533	F	98.3	Very high	97.5	Very high	0 Å²	0	61.4 Å²	61.4	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-63.7	-35.4	171.5	-163.8	-106.7	0	0	0	111.6	F385 F447 W495 M496 D497 F499 W535 F536 M537	F385-F533 AromaticContact CZ-CZ 3.93Å; F385-F533 HydrophobicContact CZ-CZ 3.93Å; F447-F533 AromaticContact CD1-CE2 3.98Å; F447-F533 HydrophobicContact CD1-CE2 3.98Å; F447-F533 HydrophobicContact CD2-CE2 4.07Å; F447-F533 AromaticContact CE1-CE2 3.89Å; F447-F533 HydrophobicContact CE1-CE2 3.89Å; F447-F533 HydrophobicContact CE1-CZ 4.36Å; F447-F533 AromaticContact CE2-CE2 3.96Å; F447-F533 HydrophobicContact CE2-CE2 3.96Å; F447-F533 HydrophobicContact CE2-CZ 4.48Å; F447-F533 HydrophobicContact CG-CE2 4.09Å; F447-F533 AromaticContact CZ-CE2 3.88Å; F447-F533 HydrophobicContact CZ-CE2 3.88Å; F447-F533 HydrophobicContact CZ-CZ 4.16Å; W495-F533 WeakPolarHBondContact O-CB 3.48Å; W495-F533 WeakPolarHBondContact O-CD2 3.48Å; M496-F533 HydrophobicContact CB-CD1 4.41Å; M496-F533 HydrophobicContact CB-CD2 4.5Å; M496-F533 HydrophobicContact CB-CE1 4.5Å; M496-F533 HydrophobicContact CB-CG 4.38Å; M496-F533 HydrophobicContact CE-CE1 4.27Å; M496-F533 HydrophobicContact CE-CZ 4.22Å; M496-F533 HydrophobicContact CG-CD2 4.37Å; M496-F533 HydrophobicContact CG-CE1 4.43Å; M496-F533 HydrophobicContact CG-CE2 4.04Å; M496-F533 HydrophobicContact CG-CZ 4.07Å; D497-F533 HydrophobicContact CB-CB 4.28Å; D497-F533 PolarHBondContact OD2-N 2.75Å; F499-F533 HydrophobicContact CB-CD1 3.63Å; F499-F533 HydrophobicContact CB-CE1 3.77Å; F499-F533 HydrophobicContact CD1-CD1 4.43Å; F499-F533 HydrophobicContact CD1-CE1 4.49Å; F499-F533 AromaticContact CD2-CD1 3.61Å; F499-F533 HydrophobicContact CD2-CD1 3.61Å; F499-F533 HydrophobicContact CD2-CE1 4.41Å; F499-F533 HydrophobicContact CE2-CD1 4.36Å; F499-F533 AromaticContact CG-CD1 3.64Å; F499-F533 HydrophobicContact CG-CD1 3.64Å; F499-F533 AromaticContact CG-CE1 4Å; F499-F533 HydrophobicContact CG-CE1 4Å; F533-W535 VanDerWaalsContact C-N 3.26Å; F533-W535 PolarHBondContact O-N 2.98Å; F533-F536 AromaticContact CD2-CD1 3.99Å; F533-F536 HydrophobicContact CD2-CD1 3.99Å; F533-F536 AromaticContact CE2-CD1 3.63Å; F533-F536 HydrophobicContact CE2-CD1 3.63Å; F533-F536 HydrophobicContact CE2-CE1 4.02Å; F533-F536 HydrophobicContact CZ-CD1 4.06Å; F533-F536 HydrophobicContact CZ-CE1 4.3Å; F533-F536 WeakPolarHBondContact O-CA 3.41Å; F533-F536 WeakPolarHBondContact O-CB 3.34Å; F533-F536 PolarHBondContact O-N 3.23Å; F533-M537 HydrophobicContact CD1-CG 3.75Å; F533-M537 HydrophobicContact CD1-SD 4.18Å; F533-M537 HydrophobicContact CE1-CG 3.67Å; F533-M537 HydrophobicContact CE1-SD 3.48Å; F533-M537 WeakPolarHBondContact CE1-SD 3.48Å; F533-M537 HydrophobicContact CZ-CG 4.45Å; F533-M537 HydrophobicContact CZ-SD 3.82Å; F533-M537 WeakPolarHBondContact O-CG 3.45Å; F533-M537 PolarHBondContact O-N 2.79Å
534	K	98.2	Very high	97.3	Very high	120 Å²	120	58.7 Å²	58.7	52%	0.522	28%	0.277	S	S	.	.	H	α-helix	trans	-56.4	-40.6	172.4	-173.4	175.1	178.9	176.9	0	112.4	F499 S532 M537 T538	F499-K534 HydrophobicContact CE2-CB 3.92Å; F499-K534 HydrophobicContact CE2-CG 4.38Å; F499-K534 HydrophobicContact CZ-CB 4.45Å; F499-K534 HydrophobicContact CZ-CG 4.47Å; S532-K534 VanDerWaalsContact C-N 3.26Å; S532-K534 PolarHBondContact O-N 3.07Å; K534-M537 PolarHBondContact O-N 2Å; K534-T538 WeakPolarHBondContact O-CB 2.91Å; K534-T538 PolarHBondContact O-N 2.77Å; K534-T538 PolarHBondContact O-OG1 3.3Å
535	W	98.5	Very high	97	Very high	85 Å²	85	62.9 Å²	62.9	32%	0.322	30%	0.296	S	S	.	.	H	α-helix	trans	-62.4	-44.9	174.2	176.1	95.4	0	0	0	110.8	W450 N531 S532 F533 M537 T538 N539 V540	W450-W535 WeakPolarHBondContact O-CZ3 3.37Å; N531-W535 HydrophobicContact CB-CB 3.9Å; N531-W535 HydrophobicContact CB-CD2 3.59Å; N531-W535 HydrophobicContact CB-CE3 3.65Å; N531-W535 HydrophobicContact CB-CG 3.69Å; N531-W535 HydrophobicContact CB-CZ3 4.47Å; S532-W535 WeakPolarHBondContact O-CB 3.32Å; S532-W535 PolarHBondContact O-N 3.49Å; S532-W535 VanDerWaalsContact O-N 3.15Å; S532-W535 PolarHBondContact OG-N 2.92Å; F533-W535 VanDerWaalsContact C-N 3.26Å; F533-W535 PolarHBondContact O-N 2.98Å; W535-M537 PolarHBondContact O-N 2.88Å; W535-T538 PolarHBondContact O-N 2.98Å; W535-T538 VanDerWaalsContact O-N 3.14Å; W535-N539 HydrophobicContact CD2-CB 4.41Å; W535-N539 HydrophobicContact CH2-CB 4.49Å; W535-N539 HydrophobicContact CZ2-CB 4.07Å; W535-N539 PolarHBondContact NE1-ND2 3.26Å; W535-N539 WeakPolarHBondContact O-CB 3.47Å; W535-N539 PolarHBondContact O-N 3.28Å; W535-N539 PolarHBondContact O-ND2 2.96Å; W535-V540 HydrophobicContact CH2-CG2 4.21Å; W535-V540 HydrophobicContact CZ3-CG2 4.02Å
536	F	98.5	Very high	96.6	Very high	0 Å²	0	67.8 Å²	67.8	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-59	-46.7	176.4	170.3	-106	0	0	0	111.8	P411 F447 W450 Q451 S532 F533 T538 N539 V540 M541	P411-F536 HydrophobicContact CB-CZ 4.22Å; F447-F536 HydrophobicContact CD1-CD1 4.45Å; F447-F536 AromaticContact CD1-CE1 3.86Å; F447-F536 HydrophobicContact CD1-CE1 3.86Å; F447-F536 HydrophobicContact CD1-CZ 4.01Å; F447-F536 AromaticContact CE1-CE1 3.79Å; F447-F536 HydrophobicContact CE1-CE1 3.79Å; F447-F536 HydrophobicContact CE1-CZ 4.12Å; W450-F536 HydrophobicContact CB-CD2 3.62Å; W450-F536 HydrophobicContact CB-CE2 3.8Å; W450-F536 AromaticContact CD1-CE2 3.62Å; W450-F536 HydrophobicContact CG-CD2 4.05Å; W450-F536 AromaticContact CG-CE2 3.77Å; W450-F536 HydrophobicContact CG-CE2 3.77Å; Q451-F536 HydrophobicContact CG-CB 4.14Å; S532-F536 PolarHBondContact O-N 3.5Å; F533-F536 AromaticContact CD2-CD1 3.99Å; F533-F536 HydrophobicContact CD2-CD1 3.99Å; F533-F536 AromaticContact CE2-CD1 3.63Å; F533-F536 HydrophobicContact CE2-CD1 3.63Å; F533-F536 HydrophobicContact CE2-CE1 4.02Å; F533-F536 HydrophobicContact CZ-CD1 4.06Å; F533-F536 HydrophobicContact CZ-CE1 4.3Å; F533-F536 WeakPolarHBondContact O-CA 3.41Å; F533-F536 WeakPolarHBondContact O-CB 3.34Å; F533-F536 PolarHBondContact O-N 3.23Å; F536-T538 PolarHBondContact O-N 2.89Å; F536-N539 PolarHBondContact O-N 2.99Å; F536-V540 HydrophobicContact CD2-CB 3.65Å; F536-V540 HydrophobicContact CD2-CG1 4.06Å; F536-V540 HydrophobicContact CD2-CG2 3.87Å; F536-V540 HydrophobicContact CE2-CB 3.74Å; F536-V540 HydrophobicContact CE2-CG1 3.63Å; F536-V540 HydrophobicContact CE2-CG2 4.3Å; F536-V540 WeakPolarHBondContact O-CB 3.47Å; F536-V540 PolarHBondContact O-N 3.44Å; F536-M541 HydrophobicContact CE1-CB 4.1Å; F536-M541 HydrophobicContact CE1-CE 3.84Å; F536-M541 HydrophobicContact CE1-SD 4.04Å; F536-M541 HydrophobicContact CZ-CB 4.17Å; F536-M541 HydrophobicContact CZ-SD 4.15Å; F536-M541 PolarHBondContact O-N 2.59Å
537	M	97.3	Very high	96.1	Very high	22 Å²	22	61.4 Å²	61.4	11%	0.108	29%	0.29	C	S	.	.	H	α-helix	trans	-61.3	-32	176.3	-64.7	-52.4	-61.7	0	0	113	F499 F533 K534 W535 M541 F542 Q544	F499-M537 HydrophobicContact CD1-CG 4.45Å; F499-M537 HydrophobicContact CE1-CG 4.15Å; F499-M537 HydrophobicContact CZ-CG 4.23Å; F533-M537 HydrophobicContact CD1-CG 3.75Å; F533-M537 HydrophobicContact CD1-SD 4.18Å; F533-M537 HydrophobicContact CE1-CG 3.67Å; F533-M537 HydrophobicContact CE1-SD 3.48Å; F533-M537 WeakPolarHBondContact CE1-SD 3.48Å; F533-M537 HydrophobicContact CZ-CG 4.45Å; F533-M537 HydrophobicContact CZ-SD 3.82Å; F533-M537 WeakPolarHBondContact O-CG 3.45Å; F533-M537 PolarHBondContact O-N 2.79Å; K534-M537 PolarHBondContact O-N 2Å; W535-M537 PolarHBondContact O-N 2.88Å; M537-M541 HydrophobicContact CE-CE 3.61Å; M537-M541 CarbonylContact O-C 3.58Å; M537-M541 HydrophobicContact SD-CE 3.38Å; M537-M541 WeakPolarHBondContact SD-CE 3.4Å; M537-F542 WeakPolarHBondContact O-CA 3Å; M537-F542 PolarHBondContact O-N 3.14Å; M537-F542 VanDerWaalsContact O-N 3.16Å; M537-Q544 HydrophobicContact CE-CB 3.35Å; M537-Q544 HydrophobicContact CE-CG 3.48Å; M537-Q544 VanDerWaalsContact CE-CG 3.48Å
538	T	97.6	Very high	95.8	Very high	86 Å²	86	54.2 Å²	54.2	53%	0.528	26%	0.258	S	S	.	.	H	α-helix	trans	-85.2	-36.4	-176.6	-58	0	0	0	0	112.4	K534 W535 F536 F542	K534-T538 WeakPolarHBondContact O-CB 2.91Å; K534-T538 PolarHBondContact O-N 2.77Å; K534-T538 PolarHBondContact O-OG1 3.3Å; W535-T538 PolarHBondContact O-N 2.98Å; W535-T538 VanDerWaalsContact O-N 3.14Å; F536-T538 PolarHBondContact O-N 2.89Å; T538-F542 WeakPolarHBondContact O-CB 3.46Å
539	N	97.1	Very high	95.4	Very high	89 Å²	89	53.1 Å²	53.1	48%	0.476	25%	0.253	S	S	.	.	H	α-helix	trans	-105.9	-27.6	-168.7	-62.5	-84.7	0	0	0	113.4	W535 F536	W535-N539 HydrophobicContact CD2-CB 4.41Å; W535-N539 HydrophobicContact CH2-CB 4.49Å; W535-N539 HydrophobicContact CZ2-CB 4.07Å; W535-N539 PolarHBondContact NE1-ND2 3.26Å; W535-N539 WeakPolarHBondContact O-CB 3.47Å; W535-N539 PolarHBondContact O-N 3.28Å; W535-N539 PolarHBondContact O-ND2 2.96Å; F536-N539 PolarHBondContact O-N 2.99Å
540	V	97	Very high	95	Very high	11 Å²	11	45.6 Å²	45.6	7%	0.067	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111.5	-48.1	-176.2	-175.1	0	0	0	0	110.9	P411 W450 W535 F536	P411-V540 HydrophobicContact CB-CG1 4.02Å; P411-V540 HydrophobicContact CG-CG1 4.24Å; W450-V540 HydrophobicContact CB-CG2 4.4Å; W450-V540 HydrophobicContact CD2-CB 4.39Å; W450-V540 HydrophobicContact CD2-CG1 3.65Å; W450-V540 HydrophobicContact CD2-CG2 3.85Å; W450-V540 HydrophobicContact CE3-CB 4.49Å; W450-V540 HydrophobicContact CE3-CG1 4.05Å; W450-V540 HydrophobicContact CE3-CG2 3.57Å; W450-V540 HydrophobicContact CG-CG1 4.05Å; W450-V540 HydrophobicContact CG-CG2 4.24Å; W450-V540 HydrophobicContact CH2-CG1 4.25Å; W450-V540 HydrophobicContact CZ2-CG1 3.9Å; W450-V540 HydrophobicContact CZ3-CG1 4.32Å; W450-V540 HydrophobicContact CZ3-CG2 4.07Å; W535-V540 HydrophobicContact CH2-CG2 4.21Å; W535-V540 HydrophobicContact CZ3-CG2 4.02Å; F536-V540 HydrophobicContact CD2-CB 3.65Å; F536-V540 HydrophobicContact CD2-CG1 4.06Å; F536-V540 HydrophobicContact CD2-CG2 3.87Å; F536-V540 HydrophobicContact CE2-CB 3.74Å; F536-V540 HydrophobicContact CE2-CG1 3.63Å; F536-V540 HydrophobicContact CE2-CG2 4.3Å; F536-V540 WeakPolarHBondContact O-CB 3.47Å; F536-V540 PolarHBondContact O-N 3.44Å
541	M	95.9	Very high	94.5	Very high	1 Å²	1	49 Å²	49	1%	0.005	25%	0.246	C	C	.	.	S	Bend	trans	-112.8	42.1	-173.9	-150.5	169.4	66.3	0	0	112.5	M384 F385 P411 V412 F536 M537 D543 Q544	M384-M541 HydrophobicContact CB-SD 4.44Å; M384-M541 HydrophobicContact CG-CG 4.34Å; M384-M541 HydrophobicContact CG-SD 3.75Å; F385-M541 HydrophobicContact CD1-CE 4.28Å; F385-M541 HydrophobicContact CD1-SD 4.45Å; F385-M541 HydrophobicContact CE1-CE 3.37Å; F385-M541 HydrophobicContact CE1-SD 3.97Å; F385-M541 HydrophobicContact CZ-CE 3.57Å; P411-M541 HydrophobicContact CB-CB 4.2Å; P411-M541 HydrophobicContact CB-CG 3.93Å; P411-M541 HydrophobicContact CB-SD 3.98Å; P411-M541 HydrophobicContact CG-CG 4.25Å; V412-M541 HydrophobicContact CG2-SD 4.32Å; F536-M541 HydrophobicContact CE1-CB 4.1Å; F536-M541 HydrophobicContact CE1-CE 3.84Å; F536-M541 HydrophobicContact CE1-SD 4.04Å; F536-M541 HydrophobicContact CZ-CB 4.17Å; F536-M541 HydrophobicContact CZ-SD 4.15Å; F536-M541 PolarHBondContact O-N 2.59Å; M537-M541 HydrophobicContact CE-CE 3.61Å; M537-M541 CarbonylContact O-C 3.58Å; M537-M541 HydrophobicContact SD-CE 3.38Å; M537-M541 WeakPolarHBondContact SD-CE 3.4Å; M541-D543 PolarHBondContact O-N 3.49Å; M541-D543 VanDerWaalsContact O-N 3.15Å; M541-Q544 HydrophobicContact CE-CB 4.18Å; M541-Q544 HydrophobicContact CE-CG 4.21Å; M541-Q544 HydrophobicContact CG-CB 4.36Å; M541-Q544 WeakPolarHBondContact O-CB 3.18Å; M541-Q544 PolarHBondContact O-N 3.4Å; M541-Q544 PolarHBondContact SD-OE1 2.81Å
542	F	96.1	Very high	93.8	Very high	118 Å²	118	51.6 Å²	51.6	52%	0.518	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61	-22.6	-173.7	60.6	-96.8	0	0	0	114.6	L397 M537 T538	L397-F542 HydrophobicContact CD1-CE1 4.04Å; L397-F542 HydrophobicContact CD1-CZ 3.76Å; L397-F542 HydrophobicContact CD2-CE2 4.2Å; L397-F542 HydrophobicContact CD2-CZ 3.63Å; L397-F542 HydrophobicContact CG-CZ 4.36Å; M537-F542 WeakPolarHBondContact O-CA 3Å; M537-F542 PolarHBondContact O-N 3.14Å; M537-F542 VanDerWaalsContact O-N 3.16Å; T538-F542 WeakPolarHBondContact O-CB 3.46Å
543	D	94.3	Very high	93.1	Very high	12 Å²	12	52 Å²	52	6%	0.064	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97	10.6	178.6	63.1	-21	0	0	0	114	R382 M541 E545 K546 Y547	R382-D543 IonicContact CZ-OD1 3.68Å; R382-D543 IonicContact CZ-OD2 3.93Å; R382-D543 IonicContact NH1-OD1 2.99Å; R382-D543 IonicContact NH2-OD1 3.34Å; R382-D543 PolarHBondContact NH2-OD1 2.86Å; R382-D543 IonicContact NH2-OD2 3.21Å; R382-D543 PolarHBondContact NH2-OD2 3.24Å; M541-D543 PolarHBondContact O-N 3.49Å; M541-D543 VanDerWaalsContact O-N 3.15Å; D543-E545 VanDerWaalsContact C-N 3.31Å; D543-E545 PolarHBondContact O-N 2.85Å; D543-K546 WeakPolarHBondContact O-CB 3.01Å; D543-K546 PolarHBondContact O-N 2.83Å; D543-Y547 HydrophobicContact CB-CD2 4.29Å; D543-Y547 HydrophobicContact CB-CE2 4.19Å; D543-Y547 VanDerWaalsContact O-CD2 3.31Å; D543-Y547 WeakPolarHBondContact O-CD2 2.96Å; D543-Y547 PolarHBondContact O-N 3.37Å; D543-Y547 WeakPolarHBondContact OD2-CE2 3.43Å
544	Q	93.7	Very high	92.5	Very high	2 Å²	2	57.4 Å²	57.4	1%	0.009	29%	0.294	C	S	.	.	H	α-helix	trans	-50.3	-51.6	172.1	179.2	78.4	14.3	0	0	111.3	M384 F385 W387 M537 M541 K546 Y547 Y548	M384-Q544 PolarHBondContact SD-OE1 3.03Å; F385-Q544 PolarHBondContact O-NE2 3.2Å; W387-Q544 HydrophobicContact CZ2-CG 4.2Å; M537-Q544 HydrophobicContact CE-CB 3.35Å; M537-Q544 HydrophobicContact CE-CG 3.48Å; M537-Q544 VanDerWaalsContact CE-CG 3.48Å; M541-Q544 HydrophobicContact CE-CB 4.18Å; M541-Q544 HydrophobicContact CE-CG 4.21Å; M541-Q544 HydrophobicContact CG-CB 4.36Å; M541-Q544 WeakPolarHBondContact O-CB 3.18Å; M541-Q544 PolarHBondContact O-N 3.4Å; M541-Q544 PolarHBondContact SD-OE1 2.81Å; Q544-K546 PolarHBondContact O-N 3.12Å; Q544-Y547 PolarHBondContact O-N 3.35Å; Q544-Y548 PolarHBondContact NE2-O 3.2Å; Q544-Y548 CarbonylContact O-C 3.5Å; Q544-Y548 VanDerWaalsContact O-C 3.28Å; Q544-Y548 WeakPolarHBondContact O-CA 3.29Å; Q544-Y548 PolarHBondContact O-N 3.07Å
545	E	90.9	Very high	92	Very high	106 Å²	106	54.4 Å²	54.4	50%	0.495	29%	0.288	S	S	.	.	H	α-helix	trans	-64.3	-28.7	-172.6	-167.5	63.1	-163.2	0	0	112.2	D543 P549 A550	D543-E545 VanDerWaalsContact C-N 3.31Å; D543-E545 PolarHBondContact O-N 2.85Å; E545-P549 VanDerWaalsContact CD-CA 3.49Å; E545-P549 VanDerWaalsContact CD-CB 3.48Å; E545-P549 HydrophobicContact CG-CB 4.3Å; E545-P549 WeakPolarHBondContact O-CB 3.26Å; E545-P549 WeakPolarHBondContact O-CD 3.41Å; E545-P549 WeakPolarHBondContact OE1-CB 3.22Å; E545-P549 VanDerWaalsContact OE2-CA 3.27Å; E545-P549 WeakPolarHBondContact OE2-CA 3.34Å; E545-A550 PolarHBondContact OE2-N 2.66Å
546	K	88.6	Confident	91.6	Very high	139 Å²	139	55.3 Å²	55.3	60%	0.604	30%	0.299	S	S	*	.	H	α-helix	trans	-67.5	-39.4	175.3	174.2	-172.9	175.1	-169.6	0	112	D543 Q544	D543-K546 WeakPolarHBondContact O-CB 3.01Å; D543-K546 PolarHBondContact O-N 2.83Å; Q544-K546 PolarHBondContact O-N 3.12Å
547	Y	88.7	Confident	91.3	Very high	45 Å²	45	58.8 Å²	58.8	18%	0.176	31%	0.313	C	S	.	.	H	α-helix	trans	-98.3	-45.4	-173.4	-70.3	-74.9	0	0	0	112.8	M384 V394 D543 Q544 R598	M384-Y547 HydrophobicContact CE-CG 4.33Å; V394-Y547 HydrophobicContact CB-CD2 4.43Å; V394-Y547 HydrophobicContact CB-CE2 4.44Å; V394-Y547 HydrophobicContact CG1-CD1 3.73Å; V394-Y547 HydrophobicContact CG1-CD2 3.87Å; V394-Y547 HydrophobicContact CG1-CE1 4.11Å; V394-Y547 HydrophobicContact CG1-CE2 4.27Å; V394-Y547 HydrophobicContact CG1-CG 3.6Å; D543-Y547 HydrophobicContact CB-CD2 4.29Å; D543-Y547 HydrophobicContact CB-CE2 4.19Å; D543-Y547 VanDerWaalsContact O-CD2 3.31Å; D543-Y547 WeakPolarHBondContact O-CD2 2.96Å; D543-Y547 PolarHBondContact O-N 3.37Å; D543-Y547 WeakPolarHBondContact OD2-CE2 3.43Å; Q544-Y547 PolarHBondContact O-N 3.35Å; Y547-R598 PolarHBondContact O-NE 2.57Å; Y547-R598 PolarHBondContact O-NH1 3.12Å; Y547-R598 VanDerWaalsContact O-NH1 3.08Å; Y547-R598 PolarHBondContact O-NH2 3.14Å
548	Y	90.4	Very high	91	Very high	17 Å²	17	59.9 Å²	59.9	7%	0.067	32%	0.32	C	S	.	.	S	Bend	trans	-136.3	76.6	-178.7	-59.8	-95.2	0	0	0	109.2	M384 D386 W387 K392 V394 Q544 R598	M384-Y548 HydrophobicContact CE-CD2 3.08Å; M384-Y548 HydrophobicContact CE-CE2 3.15Å; M384-Y548 HydrophobicContact CE-CG 4.34Å; M384-Y548 HydrophobicContact SD-CD2 4.04Å; D386-Y548 HydrophobicContact CB-CD1 3.41Å; D386-Y548 VanDerWaalsContact CB-CD1 3.41Å; D386-Y548 HydrophobicContact CB-CE1 3.98Å; D386-Y548 HydrophobicContact CB-CG 4.16Å; W387-Y548 PolarHBondContact NE1-O 3.19Å; K392-Y548 HydrophobicContact CB-CE1 4.28Å; K392-Y548 HydrophobicContact CB-CE2 3.79Å; K392-Y548 WeakPolarHBondContact CB-OH 3.33Å; K392-Y548 HydrophobicContact CD-CE1 3.82Å; K392-Y548 WeakPolarHBondContact CD-OH 3.01Å; K392-Y548 HydrophobicContact CG-CD1 4.32Å; K392-Y548 HydrophobicContact CG-CE1 3.59Å; K392-Y548 HydrophobicContact CG-CE2 4.01Å; K392-Y548 VanDerWaalsContact CG-CZ 3.41Å; K392-Y548 WeakPolarHBondContact CG-OH 3.49Å; V394-Y548 HydrophobicContact CG1-CE2 4.27Å; Q544-Y548 PolarHBondContact NE2-O 3.2Å; Q544-Y548 CarbonylContact O-C 3.5Å; Q544-Y548 VanDerWaalsContact O-C 3.28Å; Q544-Y548 WeakPolarHBondContact O-CA 3.29Å; Q544-Y548 PolarHBondContact O-N 3.07Å; Y548-R598 VanDerWaalsContact CZ-NH1 3.26Å
549	P	90.2	Very high	90.9	Very high	6 Å²	6	55.8 Å²	55.8	4%	0.039	30%	0.295	C	S	.	.			trans	-60.8	144	-179.7	25.4	-34.9	0	0	0	112.3	W387 E545 S551 E552 W597	W387-P549 VanDerWaalsContact NE1-C 3.33Å; W387-P549 PolarHBondContact NE1-O 2.79Å; E545-P549 VanDerWaalsContact CD-CA 3.49Å; E545-P549 VanDerWaalsContact CD-CB 3.48Å; E545-P549 HydrophobicContact CG-CB 4.3Å; E545-P549 WeakPolarHBondContact O-CB 3.26Å; E545-P549 WeakPolarHBondContact O-CD 3.41Å; E545-P549 WeakPolarHBondContact OE1-CB 3.22Å; E545-P549 VanDerWaalsContact OE2-CA 3.27Å; E545-P549 WeakPolarHBondContact OE2-CA 3.34Å; P549-S551 VanDerWaalsContact C-N 3.29Å; P549-S551 PolarHBondContact O-N 3.45Å; P549-E552 HydrophobicContact CG-CG 4.3Å; P549-W597 VanDerWaalsContact CD-CH2 3.45Å; P549-W597 HydrophobicContact CG-CH2 3.85Å; P549-W597 HydrophobicContact CG-CZ2 3.55Å
550	A	89.2	Confident	90.8	Very high	10 Å²	10	52.1 Å²	52.1	8%	0.083	28%	0.277	C	S	.	.	S	Bend	trans	-60.4	-42.6	176.7	0	0	0	0	0	111.4	W387 Y502 E545	W387-A550 HydrophobicContact CZ2-CB 3.89Å; W387-A550 VanDerWaalsContact NE1-N 3.19Å; Y502-A550 HydrophobicContact CD1-CB 3.74Å; Y502-A550 HydrophobicContact CD2-CB 3.88Å; Y502-A550 HydrophobicContact CE1-CB 3.71Å; Y502-A550 HydrophobicContact CE2-CB 3.86Å; Y502-A550 HydrophobicContact CG-CB 3.83Å; E545-A550 PolarHBondContact OE2-N 2.66Å
551	S	86.8	Confident	90.7	Very high	91 Å²	91	51.6 Å²	51.6	64%	0.636	27%	0.273	S	S	*	.	S	Bend	trans	-108	105.7	169.5	-177	0	0	0	0	109.4	P549	P549-S551 VanDerWaalsContact C-N 3.29Å; P549-S551 PolarHBondContact O-N 3.45Å
552	E	83.4	Confident	90.7	Very high	73 Å²	73	54.8 Å²	54.8	34%	0.341	29%	0.287	S	S	.	.	P	Polyproline II helix	trans	-67.8	133.6	178.6	-70.3	173.8	153.8	0	0	110.9	R506 P549	R506-E552 IonicContact CZ-OE2 2.84Å; R506-E552 IonicContact NH1-OE2 2.64Å; R506-E552 IonicContact NH2-OE2 3.09Å; R506-E552 PolarHBondContact NH2-OE2 3.21Å; P549-E552 HydrophobicContact CG-CG 4.3Å
553	P	85.4	Confident	90.7	Very high	58 Å²	58	49.2 Å²	49.2	38%	0.377	26%	0.263	S	S	.	.	P	Polyproline II helix	trans	-57.6	151.2	170.6	-23	32	0	0	0	111.6	W597	P553-W597 HydrophobicContact CB-CB 3.88Å; P553-W597 HydrophobicContact CB-CG 4.04Å; P553-W597 HydrophobicContact CG-CB 4.22Å; P553-W597 HydrophobicContact CG-CD2 4.15Å; P553-W597 HydrophobicContact CG-CG 3.99Å
554	P	86	Confident	90.8	Very high	114 Å²	114	52.1 Å²	52.1	74%	0.74	28%	0.276	S	S	*	.	P	Polyproline II helix	trans	-59.7	145.2	178.3	26.2	-34.5	0	0	0	111
555	S	87.4	Confident	90.9	Very high	57 Å²	57	56.7 Å²	56.7	40%	0.399	30%	0.296	S	S	.	.	P	Polyproline II helix	trans	-63.1	146.2	173.2	-51.8	0	0	0	0	111	T594	S555-T594 VanDerWaalsContact CB-CG2 3.47Å; S555-T594 VanDerWaalsContact OG-CG2 3.26Å; S555-T594 WeakPolarHBondContact OG-CG2 3.24Å
556	L	89.1	Confident	91	Very high	105 Å²	105	53.3 Å²	53.3	55%	0.55	28%	0.284	S	S	.	.	S	Bend	trans	-73.2	-43	-177.3	-62.8	172.7	0	0	0	111.3	L595	L556-L595 HydrophobicContact CB-CD2 4.34Å; L556-L595 HydrophobicContact CB-CG 4.39Å; L556-L595 HydrophobicContact CD1-CD2 4.19Å; L556-L595 HydrophobicContact CD1-CG 4.29Å; L556-L595 PolarHBondContact N-O 3.48Å
557	Y	92.3	Very high	91.3	Very high	72 Å²	72	48.2 Å²	48.2	28%	0.282	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	143.1	179.4	-63.9	-92.9	0	0	0	110.2	T594 L595 Y637 W677	Y557-T594 CarbonylContact O-C 3.5Å; Y557-T594 WeakPolarHBondContact O-CA 3.43Å; Y557-L595 HydrophobicContact CD2-CB 4.5Å; Y557-L595 HydrophobicContact CD2-CD2 3.99Å; Y557-L595 PolarHBondContact N-O 3.04Å; Y557-L595 PolarHBondContact O-N 3.32Å; Y557-Y637 AromaticContact CD1-CD1 3.98Å; Y557-Y637 HydrophobicContact CD1-CD1 3.98Å; Y557-Y637 HydrophobicContact CD1-CE1 4.12Å; Y557-Y637 AromaticContact CD2-CD1 3.96Å; Y557-Y637 HydrophobicContact CD2-CD1 3.96Å; Y557-Y637 AromaticContact CE1-CD1 3.73Å; Y557-Y637 HydrophobicContact CE1-CD1 3.73Å; Y557-Y637 AromaticContact CE1-CE1 3.8Å; Y557-Y637 HydrophobicContact CE1-CE1 3.8Å; Y557-Y637 AromaticContact CE2-CD1 3.73Å; Y557-Y637 HydrophobicContact CE2-CD1 3.73Å; Y557-Y637 HydrophobicContact CG-CD1 4.1Å; Y557-Y637 AromaticContact CZ-CD1 3.61Å; Y557-W677 HydrophobicContact CD1-CG 4.46Å; Y557-W677 HydrophobicContact CG-CD2 4.38Å
558	V	92.2	Very high	91.5	Very high	45 Å²	45	49.6 Å²	49.6	27%	0.273	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	134.5	176.8	-175.4	0	0	0	0	108	F593 T594 E604 W677	V558-F593 CarbonylContact C-O 3.59Å; V558-F593 WeakPolarHBondContact CA-O 3.4Å; V558-T594 HydrophobicContact CG2-CG2 4.13Å; V558-E604 HydrophobicContact CG1-CG 4.4Å; V558-E604 WeakPolarHBondContact CG1-OE1 3.24Å; V558-W677 PolarHBondContact O-NE1 3.27Å
559	G	93.6	Very high	91.8	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	139.5	-166.2	178.2	0	0	0	0	0	114.4	F593 W677 Q678	G559-F593 PolarHBondContact N-O 3.19Å; G559-F593 PolarHBondContact O-N 3.04Å; G559-W677 VanDerWaalsContact N-NE1 3.1Å; G559-W677 PolarHBondContact O-NE1 3.06Å; G559-Q678 CarbonylContact C-O 3.46Å; G559-Q678 VanDerWaalsContact CA-O 3.24Å; G559-Q678 WeakPolarHBondContact CA-O 3Å
560	S	94.9	Very high	92	Very high	12 Å²	12	48.5 Å²	48.5	8%	0.084	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	142.7	-179	-54.1	0	0	0	0	112.2	C585 A591 Q678	S560-C585 PolarHBondContact OG-O 3.12Å; S560-A591 VanDerWaalsContact CA-O 3.3Å; S560-A591 WeakPolarHBondContact CA-O 3.34Å; S560-A591 WeakPolarHBondContact CB-O 3.42Å; S560-A591 PolarHBondContact OG-O 2.76Å; S560-Q678 PolarHBondContact N-O 3.49Å; S560-Q678 PolarHBondContact O-N 2.99Å
561	I	95.9	Very high	92.1	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	102.6	-176.1	-56.3	172.8	0	0	0	109.5	C569 I570 F593 L601 I644 W675 W677	I561-C569 CarbonylContact O-C 3.51Å; I561-C569 WeakPolarHBondContact O-CA 3.28Å; I561-I570 HydrophobicContact CB-CB 4.45Å; I561-I570 HydrophobicContact CB-CD1 4.05Å; I561-I570 HydrophobicContact CB-CG1 4.2Å; I561-I570 HydrophobicContact CD1-CD1 4.29Å; I561-I570 HydrophobicContact CG2-CD1 3.79Å; I561-I570 HydrophobicContact CG2-CG1 4.22Å; I561-I570 PolarHBondContact O-N 3Å; I561-F593 HydrophobicContact CD1-CB 3.7Å; I561-F593 HydrophobicContact CD1-CD2 4.24Å; I561-F593 HydrophobicContact CD1-CG 3.97Å; I561-F593 HydrophobicContact CG1-CB 4.26Å; I561-F593 HydrophobicContact CG1-CD2 4.45Å; I561-L601 HydrophobicContact CD1-CD1 3.79Å; I561-L601 HydrophobicContact CD1-CD2 4.24Å; I561-L601 HydrophobicContact CD1-CG 4.46Å; I561-I644 HydrophobicContact CD1-CD1 4.34Å; I561-I644 HydrophobicContact CG2-CD1 3.62Å; I561-W675 HydrophobicContact CG2-CB 3.95Å; I561-W675 HydrophobicContact CG2-CD2 4.32Å; I561-W675 HydrophobicContact CG2-CE3 3.86Å; I561-W675 HydrophobicContact CG2-CG 4.4Å; I561-W677 HydrophobicContact CD1-CD2 4.37Å; I561-W677 HydrophobicContact CD1-CE3 4Å; I561-W677 HydrophobicContact CD1-CH2 3.66Å; I561-W677 HydrophobicContact CD1-CZ2 4.01Å; I561-W677 HydrophobicContact CD1-CZ3 3.62Å; I561-W677 HydrophobicContact CG1-CD2 3.87Å; I561-W677 HydrophobicContact CG1-CE3 3.88Å; I561-W677 HydrophobicContact CG1-CH2 4.18Å; I561-W677 HydrophobicContact CG1-CZ2 4.12Å; I561-W677 HydrophobicContact CG1-CZ3 4.03Å
562	K	95.8	Very high	92.3	Very high	69 Å²	69	47.5 Å²	47.5	30%	0.3	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	127	-174.2	-171.4	177.4	-177	175.3	0	112	G567 W675 N676	K562-G567 WeakPolarHBondContact CE-O 3.43Å; K562-W675 CarbonylContact O-C 3.55Å; K562-W675 VanDerWaalsContact O-CA 3.31Å; K562-W675 WeakPolarHBondContact O-CA 3.47Å; K562-N676 PolarHBondContact N-O 3.42Å; K562-N676 PolarHBondContact O-N 2.76Å
563	N	96.6	Very high	92.4	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	135.3	171.6	-170.1	-97.4	0	0	0	111	F565 S566 G567 L568 L582 K672 W675	N563-F565 WeakPolarHBondContact OD1-CA 3.33Å; N563-F565 WeakPolarHBondContact OD1-CB 3.39Å; N563-F565 PolarHBondContact OD1-N 3.42Å; N563-S566 WeakPolarHBondContact CB-OG 3.44Å; N563-S566 PolarHBondContact OD1-N 3.07Å; N563-G567 WeakPolarHBondContact O-CA 3.34Å; N563-G567 PolarHBondContact O-N 3.38Å; N563-L568 PolarHBondContact N-O 3.4Å; N563-L582 HydrophobicContact CB-CD1 4Å; N563-K672 PolarHBondContact ND2-O 3.48Å; N563-W675 HydrophobicContact CB-CE3 3.77Å; N563-W675 HydrophobicContact CB-CH2 4.04Å; N563-W675 HydrophobicContact CB-CZ3 3.51Å; N563-W675 WeakPolarHBondContact ND2-CH2 3.36Å; N563-W675 WeakPolarHBondContact ND2-CZ2 3.49Å
564	Q	95.6	Very high	92.2	Very high	73 Å²	73	47.2 Å²	47.2	34%	0.341	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.2	-30.1	-179.3	-69.3	-171.4	4.5	0	0	113.6	S642 K674 N676	Q564-S642 PolarHBondContact NE2-OG 2.05Å; Q564-K674 HydrophobicContact CB-CB 4.03Å; Q564-K674 VanDerWaalsContact CD-CB 3.45Å; Q564-K674 HydrophobicContact CG-CB 3.82Å; Q564-K674 PolarHBondContact N-O 3.07Å; Q564-N676 PolarHBondContact NE2-OD1 3.17Å
565	F	95.8	Very high	91.9	Very high	99 Å²	99	46.7 Å²	46.7	43%	0.434	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.8	-52.3	-179.8	177	-94.6	0	0	0	112.3	N563 Y655 L657 T671 K672	N563-F565 WeakPolarHBondContact OD1-CA 3.33Å; N563-F565 WeakPolarHBondContact OD1-CB 3.39Å; N563-F565 PolarHBondContact OD1-N 3.42Å; F565-Y655 AromaticContact CD1-CD1 3.73Å; F565-Y655 HydrophobicContact CD1-CD1 3.73Å; F565-Y655 AromaticContact CD1-CE1 3.82Å; F565-Y655 HydrophobicContact CD1-CE1 3.82Å; F565-Y655 HydrophobicContact CE1-CD1 4.28Å; F565-Y655 HydrophobicContact CE1-CE1 4Å; F565-L657 HydrophobicContact CE1-CD2 4.01Å; F565-L657 HydrophobicContact CZ-CD2 4.39Å; F565-T671 PolarHBondContact N-O 2.97Å; F565-K672 HydrophobicContact CB-CG 4Å; F565-K672 HydrophobicContact CD1-CG 4Å; F565-K672 HydrophobicContact CD2-CG 4.15Å; F565-K672 HydrophobicContact CG-CG 3.78Å
566	S	94.2	Very high	91.3	Very high	35 Å²	35	48.7 Å²	48.7	25%	0.245	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.7	-20.9	-177.1	66.8	0	0	0	0	113.5	N563 L568 L582	N563-S566 WeakPolarHBondContact CB-OG 3.44Å; N563-S566 PolarHBondContact OD1-N 3.07Å; S566-L568 PolarHBondContact O-N 3.34Å; S566-L568 PolarHBondContact OG-N 3.37Å; S566-L582 VanDerWaalsContact OG-CD1 3.22Å; S566-L582 WeakPolarHBondContact OG-CD1 3.4Å
567	G	93.6	Very high	91	Very high	32 Å²	32	50 Å²	50	33%	0.33	26%	0.263	S	S	.	.			trans	69.5	8.1	-172.5	0	0	0	0	0	114.2	K562 N563	K562-G567 WeakPolarHBondContact CE-O 3.43Å; N563-G567 WeakPolarHBondContact O-CA 3.34Å; N563-G567 PolarHBondContact O-N 3.38Å
568	L	94.2	Very high	90.8	Very high	73 Å²	73	47.3 Å²	47.3	38%	0.382	25%	0.254	S	S	.	.	P	Polyproline II helix	trans	-100.8	157.9	179.1	-61	175.6	0	0	0	111	N563 S566 L582	N563-L568 PolarHBondContact N-O 3.4Å; S566-L568 PolarHBondContact O-N 3.34Å; S566-L568 PolarHBondContact OG-N 3.37Å; L568-L582 HydrophobicContact CB-CB 3.72Å; L568-L582 HydrophobicContact CB-CD1 4.22Å; L568-L582 HydrophobicContact CD1-CB 4.24Å
569	C	94.8	Very high	90.8	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	153.2	178.3	-73.6	0	0	0	0	112.5	I561 Q571 L582 G583 C585	I561-C569 CarbonylContact O-C 3.51Å; I561-C569 WeakPolarHBondContact O-CA 3.28Å; C569-Q571 PolarHBondContact O-N 2.84Å; C569-L582 CarbonylContact O-C 3.54Å; C569-L582 WeakPolarHBondContact O-CA 3.2Å; C569-G583 PolarHBondContact N-O 2.7Å; C569-G583 PolarHBondContact O-N 2.94Å; C569-C585 HydrophobicContact CB-CB 3.83Å; C569-C585 WeakPolarHBondContact CB-SG 3.36Å; C569-C585 VanDerWaalsContact SG-CA 3.57Å; C569-C585 WeakPolarHBondContact SG-CB 3.44Å; C569-C585 CovalentContact SG-SG 2.03Å; C569-C585 PolarHBondContact SG-SG 3.41Å
570	I	95	Very high	90.8	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.4	134.8	168	-60.2	-176.6	0	0	0	109	I561 V580 L582 F593 L610 L653 W675	I561-I570 HydrophobicContact CB-CB 4.45Å; I561-I570 HydrophobicContact CB-CD1 4.05Å; I561-I570 HydrophobicContact CB-CG1 4.2Å; I561-I570 HydrophobicContact CD1-CD1 4.29Å; I561-I570 HydrophobicContact CG2-CD1 3.79Å; I561-I570 HydrophobicContact CG2-CG1 4.22Å; I561-I570 PolarHBondContact O-N 3Å; I570-V580 HydrophobicContact CG2-CG1 3.44Å; I570-V580 VanDerWaalsContact CG2-CG1 3.44Å; I570-L582 HydrophobicContact CB-CD2 4.45Å; I570-L582 HydrophobicContact CG1-CD2 3.89Å; I570-F593 HydrophobicContact CB-CE2 3.97Å; I570-F593 HydrophobicContact CB-CZ 4.22Å; I570-F593 HydrophobicContact CG2-CE1 4.1Å; I570-F593 HydrophobicContact CG2-CE2 3.77Å; I570-F593 HydrophobicContact CG2-CZ 3.49Å; I570-F593 VanDerWaalsContact CG2-CZ 3.49Å; I570-F593 WeakPolarHBondContact O-CE2 3Å; I570-L610 HydrophobicContact CD1-CD2 4.24Å; I570-L653 HydrophobicContact CD1-CD2 3.84Å; I570-W675 HydrophobicContact CD1-CE3 4.31Å; I570-W675 HydrophobicContact CD1-CH2 4.5Å; I570-W675 HydrophobicContact CD1-CZ3 4.05Å; I570-W675 HydrophobicContact CG1-CE3 4.28Å; I570-W675 HydrophobicContact CG1-CH2 4.34Å; I570-W675 HydrophobicContact CG1-CZ3 3.72Å
571	Q	92.2	Very high	90.7	Very high	55 Å²	55	51.6 Å²	51.6	26%	0.257	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	137.9	-178	-166.6	173.9	11.4	0	0	111.8	C569 K581 S587 T590	C569-Q571 PolarHBondContact O-N 2.84Å; Q571-K581 PolarHBondContact N-O 3.09Å; Q571-S587 PolarHBondContact NE2-OG 3.47Å; Q571-T590 CarbonylContact C-O 3.44Å; Q571-T590 WeakPolarHBondContact CA-O 3.42Å; Q571-T590 PolarHBondContact NE2-OG1 3.08Å
572	Y	90.6	Very high	90.6	Very high	26 Å²	26	52.8 Å²	52.8	10%	0.102	28%	0.278	C	S	.	.			trans	-85.4	132.7	169.3	-179.6	-125.9	0	0	0	110.8	G574 N575 E576 T590 L603 L608 F623	Y572-G574 VanDerWaalsContact CZ-C 3.41Å; Y572-G574 VanDerWaalsContact CZ-CA 3.49Å; Y572-G574 PolarHBondContact OH-O 3.46Å; Y572-N575 VanDerWaalsContact CE2-O 3.3Å; Y572-N575 WeakPolarHBondContact CE2-O 3.42Å; Y572-N575 VanDerWaalsContact OH-C 3.31Å; Y572-N575 PolarHBondContact OH-N 3.2Å; Y572-E576 PolarHBondContact OH-N 3.35Å; Y572-T590 PolarHBondContact N-O 3.34Å; Y572-T590 WeakPolarHBondContact O-CB 3.1Å; Y572-L603 HydrophobicContact CD1-CD2 3.72Å; Y572-L603 HydrophobicContact CE1-CD2 4.33Å; Y572-L603 HydrophobicContact CG-CD2 4.16Å; Y572-L608 HydrophobicContact CE1-CD1 4.04Å; Y572-L608 HydrophobicContact CE2-CD1 3.82Å; Y572-L608 VanDerWaalsContact CZ-CD1 3.48Å; Y572-L608 WeakPolarHBondContact OH-CD1 3.4Å; Y572-F623 HydrophobicContact CD2-CB 4.43Å; Y572-F623 AromaticContact CD2-CD1 3.91Å; Y572-F623 HydrophobicContact CD2-CD1 3.91Å; Y572-F623 AromaticContact CD2-CD2 3.66Å; Y572-F623 HydrophobicContact CD2-CD2 3.66Å; Y572-F623 AromaticContact CD2-CE1 3.96Å; Y572-F623 HydrophobicContact CD2-CE1 3.96Å; Y572-F623 AromaticContact CD2-CE2 3.74Å; Y572-F623 HydrophobicContact CD2-CE2 3.74Å; Y572-F623 AromaticContact CD2-CG 3.74Å; Y572-F623 HydrophobicContact CD2-CG 3.74Å; Y572-F623 AromaticContact CD2-CZ 3.9Å; Y572-F623 HydrophobicContact CD2-CZ 3.9Å; Y572-F623 HydrophobicContact CE2-CB 4.31Å; Y572-F623 HydrophobicContact CE2-CD1 4.45Å; Y572-F623 HydrophobicContact CE2-CD2 4.26Å; Y572-F623 HydrophobicContact CE2-CG 4.11Å; Y572-F623 HydrophobicContact CG-CE1 4.34Å; Y572-F623 HydrophobicContact CG-CE2 4.44Å; Y572-F623 HydrophobicContact CG-CZ 4.25Å
573	D	84.4	Confident	90.4	Very high	77 Å²	77	50.1 Å²	50.1	41%	0.412	27%	0.27	S	S	.	.			trans	-94.7	-1.7	-176.5	67.3	-7.8	0	0	0	114.1	N575 S578	D573-N575 PolarHBondContact OD1-N 2.85Å; D573-N575 VanDerWaalsContact OD1-N 3.14Å; D573-S578 WeakPolarHBondContact OD1-CB 3.29Å; D573-S578 PolarHBondContact OD1-OG 3.31Å; D573-S578 WeakPolarHBondContact OD2-CB 3.34Å
574	G	81.2	Confident	90.1	Very high	47 Å²	47	54.8 Å²	54.8	49%	0.485	30%	0.295	S	S	.	.	S	Bend	trans	96.3	-2.3	-179.8	0	0	0	0	0	115	Y572	Y572-G574 VanDerWaalsContact CZ-C 3.41Å; Y572-G574 VanDerWaalsContact CZ-CA 3.49Å; Y572-G574 PolarHBondContact OH-O 3.46Å
575	N	80.5	Confident	89.7	Confident	104 Å²	104	52.3 Å²	52.3	56%	0.556	29%	0.285	S	S	*	.			trans	-108.1	121.9	-179.8	-69.5	-33.8	0	0	0	111.4	Y572 D573 K577 S578	Y572-N575 VanDerWaalsContact CE2-O 3.3Å; Y572-N575 WeakPolarHBondContact CE2-O 3.42Å; Y572-N575 VanDerWaalsContact OH-C 3.31Å; Y572-N575 PolarHBondContact OH-N 3.2Å; D573-N575 PolarHBondContact OD1-N 2.85Å; D573-N575 VanDerWaalsContact OD1-N 3.14Å; N575-K577 PolarHBondContact O-N 2.95Å; N575-S578 WeakPolarHBondContact O-CB 3.33Å; N575-S578 PolarHBondContact O-N 2.03Å; N575-S578 PolarHBondContact O-OG 3.34Å
576	E	74.6	Confident	89	Confident	99 Å²	99	54 Å²	54	46%	0.463	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.8	140.2	167.6	-63.5	-166.2	178.3	0	0	109.7	Y572 S578 L608 R625	Y572-E576 PolarHBondContact OH-N 3.35Å; E576-S578 VanDerWaalsContact C-N 3.26Å; E576-S578 PolarHBondContact O-N 2.75Å; E576-L608 HydrophobicContact CG-CD2 4.2Å; E576-R625 IonicContact OE1-CZ 3.15Å; E576-R625 IonicContact OE1-NE 3.93Å; E576-R625 PolarHBondContact OE1-NE 3.13Å; E576-R625 IonicContact OE1-NH2 3.31Å; E576-R625 PolarHBondContact OE1-NH2 3.35Å; E576-R625 IonicContact OE2-CZ 2.79Å; E576-R625 IonicContact OE2-NE 2.8Å; E576-R625 PolarHBondContact OE2-NE 2.8Å; E576-R625 IonicContact OE2-NH2 3.45Å
577	K	82.4	Confident	88.2	Confident	133 Å²	133	54.2 Å²	54.2	58%	0.578	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.8	12.1	-178.2	-48.7	-175.9	-174.3	179.9	0	115.8	N575 F623 Y624	N575-K577 PolarHBondContact O-N 2.95Å; K577-F623 WeakPolarHBondContact CA-O 3.21Å; K577-F623 PolarHBondContact N-O 2.81Å; K577-Y624 HydrophobicContact CD-CD2 4.34Å; K577-Y624 HydrophobicContact CD-CE2 4.03Å; K577-Y624 HydrophobicContact CG-CD2 3.98Å; K577-Y624 HydrophobicContact CG-CE2 4.16Å
578	S	88.2	Confident	87.3	Confident	14 Å²	14	58.6 Å²	58.6	10%	0.098	32%	0.315	C	S	.	.	P	Polyproline II helix	trans	-71.2	151.3	174.1	66.4	0	0	0	0	112.5	D573 N575 E576 V580 V622 F623	D573-S578 WeakPolarHBondContact OD1-CB 3.29Å; D573-S578 PolarHBondContact OD1-OG 3.31Å; D573-S578 WeakPolarHBondContact OD2-CB 3.34Å; N575-S578 WeakPolarHBondContact O-CB 3.33Å; N575-S578 PolarHBondContact O-N 2.03Å; N575-S578 PolarHBondContact O-OG 3.34Å; E576-S578 VanDerWaalsContact C-N 3.26Å; E576-S578 PolarHBondContact O-N 2.75Å; S578-V580 PolarHBondContact O-N 2.87Å; S578-V622 CarbonylContact O-C 3.56Å; S578-V622 WeakPolarHBondContact O-CA 3.17Å; S578-V622 WeakPolarHBondContact O-CB 3.31Å; S578-F623 PolarHBondContact O-N 2.65Å
579	V	92.2	Very high	86.4	Confident	46 Å²	46	65.8 Å²	65.8	28%	0.279	34%	0.337	S	S	.	.	B	Isolated β-bridge	trans	-66	132	169.5	173.9	0	0	0	0	108.9	K581 A620 V622 N660	V579-K581 PolarHBondContact O-N 2.91Å; V579-A620 HydrophobicContact CG1-CB 3.89Å; V579-A620 HydrophobicContact CG2-CB 4.08Å; V579-V622 HydrophobicContact CG2-CG1 4.28Å; V579-N660 HydrophobicContact CG1-CB 3.98Å
580	V	94.6	Very high	85.9	Confident	0 Å²	0	67.5 Å²	67.5	0%	0	35%	0.348	C	S	.	.	P	Polyproline II helix	trans	-66.4	125.1	178.6	-179.1	0	0	0	0	109.5	I570 S578 L610 V621 F623 V661	I570-V580 HydrophobicContact CG2-CG1 3.44Å; I570-V580 VanDerWaalsContact CG2-CG1 3.44Å; S578-V580 PolarHBondContact O-N 2.87Å; V580-L610 HydrophobicContact CG2-CG 4.12Å; V580-V621 HydrophobicContact CB-CB 4.45Å; V580-V621 WeakPolarHBondContact CB-O 3.48Å; V580-V621 HydrophobicContact CG2-CB 4.25Å; V580-V621 HydrophobicContact CG2-CG1 3.9Å; V580-V621 WeakPolarHBondContact CG2-O 3.38Å; V580-V621 PolarHBondContact N-O 3.29Å; V580-F623 HydrophobicContact CB-CE2 4.17Å; V580-F623 HydrophobicContact CG1-CE2 4.2Å; V580-F623 HydrophobicContact CG1-CZ 4.45Å; V580-F623 HydrophobicContact CG2-CD2 3.74Å; V580-F623 HydrophobicContact CG2-CE2 3.68Å; V580-F623 HydrophobicContact CG2-CG 4.33Å; V580-F623 HydrophobicContact CG2-CZ 4.23Å; V580-V661 HydrophobicContact CB-CB 4.02Å; V580-V661 HydrophobicContact CB-CG2 4.34Å; V580-V661 HydrophobicContact CG1-CB 3.86Å; V580-V661 HydrophobicContact CG1-CG1 4.45Å; V580-V661 HydrophobicContact CG1-CG2 3.74Å; V580-V661 PolarHBondContact O-N 2.79Å
581	K	93	Very high	85.6	Confident	101 Å²	101	67.5 Å²	67.5	44%	0.439	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	167.5	-178.9	-70.3	174.9	-174.8	171.5	0	111	Q571 V579	Q571-K581 PolarHBondContact N-O 3.09Å; V579-K581 PolarHBondContact O-N 2.91Å
582	L	93.3	Very high	85.6	Confident	25 Å²	25	67.3 Å²	67.3	13%	0.131	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	148.5	172.5	-55.1	-171.4	0	0	0	111.7	N563 S566 L568 C569 I570 Y655 V661 W675	N563-L582 HydrophobicContact CB-CD1 4Å; S566-L582 VanDerWaalsContact OG-CD1 3.22Å; S566-L582 WeakPolarHBondContact OG-CD1 3.4Å; L568-L582 HydrophobicContact CB-CB 3.72Å; L568-L582 HydrophobicContact CB-CD1 4.22Å; L568-L582 HydrophobicContact CD1-CB 4.24Å; C569-L582 CarbonylContact O-C 3.54Å; C569-L582 WeakPolarHBondContact O-CA 3.2Å; I570-L582 HydrophobicContact CB-CD2 4.45Å; I570-L582 HydrophobicContact CG1-CD2 3.89Å; L582-Y655 HydrophobicContact CD1-CD2 3.3Å; L582-Y655 HydrophobicContact CD1-CE2 3.7Å; L582-Y655 HydrophobicContact CD1-CG 4.03Å; L582-Y655 HydrophobicContact CG-CD2 4.08Å; L582-Y655 HydrophobicContact CG-CE2 4.37Å; L582-V661 HydrophobicContact CD2-CG2 3.58Å; L582-V661 HydrophobicContact CG-CG2 4.15Å; L582-W675 HydrophobicContact CD1-CH2 4.46Å; L582-W675 HydrophobicContact CD2-CH2 3.94Å; L582-W675 HydrophobicContact CD2-CZ3 3.79Å
583	G	91	Very high	85.8	Confident	13 Å²	13	66.1 Å²	66.1	13%	0.134	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-162.2	-153.1	173.4	0	0	0	0	0	112.4	C569	C569-G583 PolarHBondContact N-O 2.7Å; C569-G583 PolarHBondContact O-N 2.94Å
584	N	89.8	Confident	86.3	Confident	99 Å²	99	63 Å²	63	53%	0.529	32%	0.324	S	S	.	.			trans	-75	135.3	-173.9	-165.6	-11.9	0	0	0	111.5	N586	N584-N586 VanDerWaalsContact C-N 3.26Å; N584-N586 PolarHBondContact O-N 2.85Å; N584-N586 PolarHBondContact OD1-N 2.87Å
585	C	88	Confident	86.9	Confident	20 Å²	20	61 Å²	61	14%	0.135	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.2	-15.9	-175.9	-62.3	0	0	0	0	114.9	S560 C569 S587	S560-C585 PolarHBondContact OG-O 3.12Å; C569-C585 HydrophobicContact CB-CB 3.83Å; C569-C585 WeakPolarHBondContact CB-SG 3.36Å; C569-C585 VanDerWaalsContact SG-CA 3.57Å; C569-C585 WeakPolarHBondContact SG-CB 3.44Å; C569-C585 CovalentContact SG-SG 2.03Å; C569-C585 PolarHBondContact SG-SG 3.41Å; C585-S587 VanDerWaalsContact C-N 3.33Å; C585-S587 PolarHBondContact O-N 2.99Å
586	N	82.2	Confident	87.4	Confident	134 Å²	134	56.5 Å²	56.5	72%	0.717	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.9	-4.3	-170.1	-65.9	-3.7	0	0	0	114.4	N584 I588	N584-N586 VanDerWaalsContact C-N 3.26Å; N584-N586 PolarHBondContact O-N 2.85Å; N584-N586 PolarHBondContact OD1-N 2.87Å; N586-I588 PolarHBondContact O-N 3.15Å; N586-I588 VanDerWaalsContact O-N 3.13Å
587	S	76.6	Confident	88	Confident	40 Å²	40	55 Å²	55	28%	0.28	27%	0.268	S	S	.	.			trans	-80.5	94.5	-176.1	-56.5	0	0	0	0	111.5	Q571 C585 R589 T590 A591	Q571-S587 PolarHBondContact NE2-OG 3.47Å; C585-S587 VanDerWaalsContact C-N 3.33Å; C585-S587 PolarHBondContact O-N 2.99Å; S587-R589 VanDerWaalsContact C-N 3.29Å; S587-R589 PolarHBondContact O-N 3.24Å; S587-T590 WeakPolarHBondContact CB-OG1 3.37Å; S587-T590 PolarHBondContact O-N 3.15Å; S587-A591 WeakPolarHBondContact O-CA 3.36Å; S587-A591 VanDerWaalsContact O-CB 3.29Å; S587-A591 WeakPolarHBondContact O-CB 3.3Å; S587-A591 PolarHBondContact O-N 2.8Å
588	I	73.9	Confident	88.2	Confident	124 Å²	124	50 Å²	50	64%	0.636	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-51.4	-44.6	-176.5	-63.6	175.2	0	0	0	112.6	N586 R592	N586-I588 PolarHBondContact O-N 3.15Å; N586-I588 VanDerWaalsContact O-N 3.13Å; I588-R592 WeakPolarHBondContact O-CB 3.13Å; I588-R592 WeakPolarHBondContact O-CD 3.38Å; I588-R592 WeakPolarHBondContact O-CG 3.2Å
589	R	75.5	Confident	88.3	Confident	224 Å²	224	50.9 Å²	50.9	85%	0.845	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.3	-22.9	-175.4	-61.2	-171.2	-153.2	-176.9	6.4	114.8	S587	S587-R589 VanDerWaalsContact C-N 3.29Å; S587-R589 PolarHBondContact O-N 3.24Å
590	T	84.1	Confident	88.3	Confident	37 Å²	37	48.8 Å²	48.8	23%	0.227	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-121	-11.8	-169	55.6	0	0	0	0	113.8	Q571 Y572 S587	Q571-T590 CarbonylContact C-O 3.44Å; Q571-T590 WeakPolarHBondContact CA-O 3.42Å; Q571-T590 PolarHBondContact NE2-OG1 3.08Å; Y572-T590 PolarHBondContact N-O 3.34Å; Y572-T590 WeakPolarHBondContact O-CB 3.1Å; S587-T590 WeakPolarHBondContact CB-OG1 3.37Å; S587-T590 PolarHBondContact O-N 3.15Å
591	A	88.9	Confident	88.3	Confident	0 Å²	0	48.9 Å²	48.9	0%	0	24%	0.239	C	C	.	.	S	Bend	trans	-119.9	5.9	-177	0	0	0	0	0	113.5	S560 S587 F593	S560-A591 VanDerWaalsContact CA-O 3.3Å; S560-A591 WeakPolarHBondContact CA-O 3.34Å; S560-A591 WeakPolarHBondContact CB-O 3.42Å; S560-A591 PolarHBondContact OG-O 2.76Å; S587-A591 WeakPolarHBondContact O-CA 3.36Å; S587-A591 VanDerWaalsContact O-CB 3.29Å; S587-A591 WeakPolarHBondContact O-CB 3.3Å; S587-A591 PolarHBondContact O-N 2.8Å; A591-F593 WeakPolarHBondContact O-CD2 3.35Å
592	R	93.6	Very high	88.4	Confident	51 Å²	51	46.4 Å²	46.4	19%	0.192	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	131.4	177.5	-67.4	-178.2	60.6	79.6	4	111.1	I588 L603 E604 K679	I588-R592 WeakPolarHBondContact O-CB 3.13Å; I588-R592 WeakPolarHBondContact O-CD 3.38Å; I588-R592 WeakPolarHBondContact O-CG 3.2Å; R592-L603 WeakPolarHBondContact O-CD1 3.47Å; R592-E604 HydrophobicContact CB-CB 4Å; R592-E604 WeakPolarHBondContact CB-OE2 3.49Å; R592-E604 WeakPolarHBondContact CD-OE2 3.34Å; R592-E604 IonicContact CZ-OE1 3.06Å; R592-E604 IonicContact CZ-OE2 2.94Å; R592-E604 IonicContact NE-OE1 3.76Å; R592-E604 PolarHBondContact NE-OE1 3.34Å; R592-E604 IonicContact NE-OE2 2.71Å; R592-E604 PolarHBondContact NE-OE2 3.26Å; R592-E604 IonicContact NH2-OE1 2.63Å; R592-E604 PolarHBondContact NH2-OE1 3Å; R592-E604 IonicContact NH2-OE2 3.43Å; R592-E604 WeakPolarHBondContact O-CB 3.35Å; R592-E604 PolarHBondContact O-N 3.25Å; R592-K679 PolarHBondContact NH1-OXT 2.97Å
593	F	95	Very high	88.3	Confident	0 Å²	0	45.4 Å²	45.4	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	158.8	-174	-67.5	-94.2	0	0	0	110.4	V558 G559 I561 I570 A591 L601 R602 L603 L610 F623 W677	V558-F593 CarbonylContact C-O 3.59Å; V558-F593 WeakPolarHBondContact CA-O 3.4Å; G559-F593 PolarHBondContact N-O 3.19Å; G559-F593 PolarHBondContact O-N 3.04Å; I561-F593 HydrophobicContact CD1-CB 3.7Å; I561-F593 HydrophobicContact CD1-CD2 4.24Å; I561-F593 HydrophobicContact CD1-CG 3.97Å; I561-F593 HydrophobicContact CG1-CB 4.26Å; I561-F593 HydrophobicContact CG1-CD2 4.45Å; I570-F593 HydrophobicContact CB-CE2 3.97Å; I570-F593 HydrophobicContact CB-CZ 4.22Å; I570-F593 HydrophobicContact CG2-CE1 4.1Å; I570-F593 HydrophobicContact CG2-CE2 3.77Å; I570-F593 HydrophobicContact CG2-CZ 3.49Å; I570-F593 VanDerWaalsContact CG2-CZ 3.49Å; I570-F593 WeakPolarHBondContact O-CE2 3Å; A591-F593 WeakPolarHBondContact O-CD2 3.35Å; F593-L601 HydrophobicContact CB-CD1 4.28Å; F593-R602 CarbonylContact C-O 3.58Å; F593-R602 WeakPolarHBondContact CA-O 3.39Å; F593-R602 WeakPolarHBondContact CB-O 3.35Å; F593-R602 WeakPolarHBondContact CD1-O 3.19Å; F593-L603 HydrophobicContact CE1-CD1 4.23Å; F593-L603 HydrophobicContact CZ-CD1 4.1Å; F593-L610 HydrophobicContact CD1-CD1 4.02Å; F593-L610 HydrophobicContact CE1-CD1 3.67Å; F593-F623 AromaticContact CE1-CE1 3.73Å; F593-F623 HydrophobicContact CE1-CE1 3.73Å; F593-F623 AromaticContact CE1-CZ 3.99Å; F593-F623 HydrophobicContact CE1-CZ 3.99Å; F593-F623 HydrophobicContact CZ-CE1 4.12Å; F593-F623 AromaticContact CZ-CZ 3.94Å; F593-F623 HydrophobicContact CZ-CZ 3.94Å; F593-W677 HydrophobicContact CB-CH2 4.48Å; F593-W677 HydrophobicContact CB-CZ2 4.16Å; F593-W677 WeakPolarHBondContact O-CZ2 3.33Å
594	T	94.3	Very high	88.2	Confident	13 Å²	13	47 Å²	47	8%	0.08	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	125.7	175.9	-61.3	0	0	0	0	109	S555 Y557 V558 T596 R602	S555-T594 VanDerWaalsContact CB-CG2 3.47Å; S555-T594 VanDerWaalsContact OG-CG2 3.26Å; S555-T594 WeakPolarHBondContact OG-CG2 3.24Å; Y557-T594 CarbonylContact O-C 3.5Å; Y557-T594 WeakPolarHBondContact O-CA 3.43Å; V558-T594 HydrophobicContact CG2-CG2 4.13Å; T594-T596 HydrophobicContact CG2-CG2 3.81Å; T594-R602 PolarHBondContact N-O 2.82Å; T594-R602 PolarHBondContact O-N 3.16Å
595	L	94.2	Very high	87.7	Confident	4 Å²	4	50 Å²	50	2%	0.021	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	108.8	162.1	-175.2	65.6	0	0	0	107.6	L556 Y557 D600 L601 W635 W677	L556-L595 HydrophobicContact CB-CD2 4.34Å; L556-L595 HydrophobicContact CB-CG 4.39Å; L556-L595 HydrophobicContact CD1-CD2 4.19Å; L556-L595 HydrophobicContact CD1-CG 4.29Å; L556-L595 PolarHBondContact N-O 3.48Å; Y557-L595 HydrophobicContact CD2-CB 4.5Å; Y557-L595 HydrophobicContact CD2-CD2 3.99Å; Y557-L595 PolarHBondContact N-O 3.04Å; Y557-L595 PolarHBondContact O-N 3.32Å; L595-D600 WeakPolarHBondContact CA-O 3.06Å; L595-L601 HydrophobicContact CB-CD1 4.47Å; L595-L601 HydrophobicContact CD1-CB 4.31Å; L595-W635 HydrophobicContact CD1-CB 4.22Å; L595-W677 HydrophobicContact CB-CH2 3.65Å; L595-W677 HydrophobicContact CB-CZ2 4.46Å; L595-W677 HydrophobicContact CB-CZ3 4.08Å
596	T	90.2	Very high	87.5	Confident	10 Å²	10	52.5 Å²	52.5	6%	0.061	25%	0.254	C	S	.	.			trans	-84.5	177.6	-175	75.1	0	0	0	0	112.4	T594 R598 D600 R602	T594-T596 HydrophobicContact CG2-CG2 3.81Å; T596-R598 PolarHBondContact O-N 3.31Å; T596-R598 PolarHBondContact OG1-N 3.18Å; T596-R598 VanDerWaalsContact OG1-N 3.12Å; T596-D600 WeakPolarHBondContact CB-OD1 3.42Å; T596-D600 VanDerWaalsContact CG2-OD1 3.22Å; T596-D600 WeakPolarHBondContact CG2-OD1 3.48Å; T596-D600 PolarHBondContact N-O 3.03Å; T596-D600 VanDerWaalsContact OG1-CG 3.26Å; T596-D600 PolarHBondContact OG1-OD1 3.27Å; T596-R602 HydrophobicContact CG2-CG 4.23Å; T596-R602 VanDerWaalsContact CG2-NE 3.28Å
597	W	86.9	Confident	87.6	Confident	66 Å²	66	48.9 Å²	48.9	25%	0.25	24%	0.235	C	C	.	.	S	Bend	trans	-66.6	-14.1	171.4	68.3	-94.7	0	0	0	113.7	P549 P553 P599	P549-W597 VanDerWaalsContact CD-CH2 3.45Å; P549-W597 HydrophobicContact CG-CH2 3.85Å; P549-W597 HydrophobicContact CG-CZ2 3.55Å; P553-W597 HydrophobicContact CB-CB 3.88Å; P553-W597 HydrophobicContact CB-CG 4.04Å; P553-W597 HydrophobicContact CG-CB 4.22Å; P553-W597 HydrophobicContact CG-CD2 4.15Å; P553-W597 HydrophobicContact CG-CG 3.99Å; W597-P599 VanDerWaalsContact C-CD 3.42Å; W597-P599 VanDerWaalsContact C-N 3.25Å; W597-P599 WeakPolarHBondContact O-CD 3.35Å
598	R	86.1	Confident	88.3	Confident	28 Å²	28	47.2 Å²	47.2	11%	0.106	22%	0.223	C	C	.	.	S	Bend	trans	-88.8	28	177.9	-63.8	-167.7	-167.3	-164.3	7.4	114.1	Y547 Y548 T596 D600	Y547-R598 PolarHBondContact O-NE 2.57Å; Y547-R598 PolarHBondContact O-NH1 3.12Å; Y547-R598 VanDerWaalsContact O-NH1 3.08Å; Y547-R598 PolarHBondContact O-NH2 3.14Å; Y548-R598 VanDerWaalsContact CZ-NH1 3.26Å; T596-R598 PolarHBondContact O-N 3.31Å; T596-R598 PolarHBondContact OG1-N 3.18Å; T596-R598 VanDerWaalsContact OG1-N 3.12Å; R598-D600 PolarHBondContact O-N 2.84Å; R598-D600 VanDerWaalsContact O-N 3.15Å
599	P	90.7	Very high	89.3	Confident	33 Å²	33	41.3 Å²	41.3	21%	0.214	19%	0.192	C	C	.	.	S	Bend	trans	19.7	47.7	-153.1	9.9	-31.9	0	0	0	116.4	W597 A634 W635	W597-P599 VanDerWaalsContact C-CD 3.42Å; W597-P599 VanDerWaalsContact C-N 3.25Å; W597-P599 WeakPolarHBondContact O-CD 3.35Å; P599-A634 CarbonylContact O-C 3.52Å; P599-A634 WeakPolarHBondContact O-CA 3.36Å; P599-W635 WeakPolarHBondContact CB-O 3.34Å; P599-W635 PolarHBondContact O-N 2.67Å
600	D	92.5	Very high	90.3	Very high	3 Å²	3	30.7 Å²	30.7	2%	0.016	15%	0.152	C	C	.	.			trans	-107.8	144.7	171.9	61.1	38.3	0	0	0	111.2	L595 T596 R598 R602	L595-D600 WeakPolarHBondContact CA-O 3.06Å; T596-D600 WeakPolarHBondContact CB-OD1 3.42Å; T596-D600 VanDerWaalsContact CG2-OD1 3.22Å; T596-D600 WeakPolarHBondContact CG2-OD1 3.48Å; T596-D600 PolarHBondContact N-O 3.03Å; T596-D600 VanDerWaalsContact OG1-CG 3.26Å; T596-D600 PolarHBondContact OG1-OD1 3.27Å; R598-D600 PolarHBondContact O-N 2.84Å; R598-D600 VanDerWaalsContact O-N 3.15Å; D600-R602 IonicContact OD1-CZ 2.68Å; D600-R602 VanDerWaalsContact OD1-CZ 3.22Å; D600-R602 IonicContact OD1-NE 3.92Å; D600-R602 PolarHBondContact OD1-NE 2.81Å; D600-R602 IonicContact OD1-NH2 2.72Å; D600-R602 PolarHBondContact OD1-NH2 3.36Å; D600-R602 IonicContact OD2-CZ 2.85Å; D600-R602 IonicContact OD2-NE 3.64Å; D600-R602 IonicContact OD2-NH2 3.69Å; D600-R602 PolarHBondContact OD2-NH2 3.14Å
601	L	95.2	Very high	90.8	Very high	1 Å²	1	29.1 Å²	29.1	1%	0.005	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	103.5	-177.4	-179.9	55.3	0	0	0	108.4	I561 F593 L595 C609 L610 W635 I644 W677	I561-L601 HydrophobicContact CD1-CD1 3.79Å; I561-L601 HydrophobicContact CD1-CD2 4.24Å; I561-L601 HydrophobicContact CD1-CG 4.46Å; F593-L601 HydrophobicContact CB-CD1 4.28Å; L595-L601 HydrophobicContact CB-CD1 4.47Å; L595-L601 HydrophobicContact CD1-CB 4.31Å; L601-C609 CarbonylContact O-C 3.55Å; L601-C609 WeakPolarHBondContact O-CA 3.38Å; L601-L610 HydrophobicContact CB-CB 4.4Å; L601-L610 HydrophobicContact CD2-CD2 3.63Å; L601-L610 HydrophobicContact CG-CB 4.43Å; L601-L610 HydrophobicContact CG-CD1 4.45Å; L601-L610 HydrophobicContact CG-CD2 4.04Å; L601-L610 PolarHBondContact O-N 2.78Å; L601-W635 HydrophobicContact CB-CB 3.97Å; L601-W635 HydrophobicContact CB-CG 3.81Å; L601-W635 HydrophobicContact CD2-CG 4.44Å; L601-I644 HydrophobicContact CD2-CD1 4.36Å; L601-I644 HydrophobicContact CD2-CG2 4.09Å; L601-W677 HydrophobicContact CD1-CH2 3.26Å; L601-W677 HydrophobicContact CD1-CZ2 4.31Å; L601-W677 HydrophobicContact CD1-CZ3 3.73Å
602	R	93.8	Very high	91	Very high	49 Å²	49	29.2 Å²	29.2	19%	0.185	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	158.3	-169.9	69.4	178.5	81.4	-172.9	13.5	113.6	F593 T594 T596 D600 L608	F593-R602 CarbonylContact C-O 3.58Å; F593-R602 WeakPolarHBondContact CA-O 3.39Å; F593-R602 WeakPolarHBondContact CB-O 3.35Å; F593-R602 WeakPolarHBondContact CD1-O 3.19Å; T594-R602 PolarHBondContact N-O 2.82Å; T594-R602 PolarHBondContact O-N 3.16Å; T596-R602 HydrophobicContact CG2-CG 4.23Å; T596-R602 VanDerWaalsContact CG2-NE 3.28Å; D600-R602 IonicContact OD1-CZ 2.68Å; D600-R602 VanDerWaalsContact OD1-CZ 3.22Å; D600-R602 IonicContact OD1-NE 3.92Å; D600-R602 PolarHBondContact OD1-NE 2.81Å; D600-R602 IonicContact OD1-NH2 2.72Å; D600-R602 PolarHBondContact OD1-NH2 3.36Å; D600-R602 IonicContact OD2-CZ 2.85Å; D600-R602 IonicContact OD2-NE 3.64Å; D600-R602 IonicContact OD2-NH2 3.69Å; D600-R602 PolarHBondContact OD2-NH2 3.14Å; R602-L608 CarbonylContact C-O 3.59Å; R602-L608 WeakPolarHBondContact CA-O 3.49Å; R602-L608 VanDerWaalsContact CB-O 3.28Å; R602-L608 WeakPolarHBondContact CB-O 3.19Å
603	L	92.5	Very high	90.7	Very high	5 Å²	5	29.6 Å²	29.6	3%	0.026	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.5	137	169.5	-172.7	72.3	0	0	0	109.3	Y572 R592 F593 N605 D606 L608	Y572-L603 HydrophobicContact CD1-CD2 3.72Å; Y572-L603 HydrophobicContact CE1-CD2 4.33Å; Y572-L603 HydrophobicContact CG-CD2 4.16Å; R592-L603 WeakPolarHBondContact O-CD1 3.47Å; F593-L603 HydrophobicContact CE1-CD1 4.23Å; F593-L603 HydrophobicContact CZ-CD1 4.1Å; L603-N605 PolarHBondContact O-N 3.49Å; L603-D606 HydrophobicContact CB-CB 3.95Å; L603-D606 HydrophobicContact CD2-CB 3.96Å; L603-D606 HydrophobicContact CG-CB 4.19Å; L603-D606 PolarHBondContact O-N 2.93Å; L603-L608 PolarHBondContact N-O 3.43Å
604	E	88.3	Confident	90.4	Very high	46 Å²	46	35.4 Å²	35.4	22%	0.215	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.3	129.4	-176.9	-170	-174.5	-136.5	0	0	110.8	V558 R592 D606	V558-E604 HydrophobicContact CG1-CG 4.4Å; V558-E604 WeakPolarHBondContact CG1-OE1 3.24Å; R592-E604 HydrophobicContact CB-CB 4Å; R592-E604 WeakPolarHBondContact CB-OE2 3.49Å; R592-E604 WeakPolarHBondContact CD-OE2 3.34Å; R592-E604 IonicContact CZ-OE1 3.06Å; R592-E604 IonicContact CZ-OE2 2.94Å; R592-E604 IonicContact NE-OE1 3.76Å; R592-E604 PolarHBondContact NE-OE1 3.34Å; R592-E604 IonicContact NE-OE2 2.71Å; R592-E604 PolarHBondContact NE-OE2 3.26Å; R592-E604 IonicContact NH2-OE1 2.63Å; R592-E604 PolarHBondContact NH2-OE1 3Å; R592-E604 IonicContact NH2-OE2 3.43Å; R592-E604 WeakPolarHBondContact O-CB 3.35Å; R592-E604 PolarHBondContact O-N 3.25Å; E604-D606 PolarHBondContact O-N 3.36Å
605	N	79.8	Confident	89.9	Confident	161 Å²	161	39.4 Å²	39.4	86%	0.861	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	62.1	18.9	-177.2	-53.5	-52.9	0	0	0	115.9	L603	L603-N605 PolarHBondContact O-N 3.49Å
606	D	83.9	Confident	89.6	Confident	73 Å²	73	41.8 Å²	41.8	39%	0.39	22%	0.22	S	C	.	.	S	Bend	trans	-122.4	168.6	177.1	-146.6	-63	0	0	0	111.5	L603 E604 L608	L603-D606 HydrophobicContact CB-CB 3.95Å; L603-D606 HydrophobicContact CD2-CB 3.96Å; L603-D606 HydrophobicContact CG-CB 4.19Å; L603-D606 PolarHBondContact O-N 2.93Å; E604-D606 PolarHBondContact O-N 3.36Å; D606-L608 PolarHBondContact OD1-N 2.89Å
607	D	84.3	Confident	89.3	Confident	59 Å²	59	46 Å²	46	32%	0.316	25%	0.248	S	C	.	.	S	Bend	trans	-100.1	20.6	174.4	-157.4	24.4	0	0	0	111.7	R625 C626	D607-R625 CarbonylContact O-C 3.54Å; D607-R625 VanDerWaalsContact O-CA 3.29Å; D607-R625 WeakPolarHBondContact O-CA 3.37Å; D607-C626 VanDerWaalsContact C-SG 3.58Å; D607-C626 PolarHBondContact O-N 2.73Å; D607-C626 PolarHBondContact O-SG 2.94Å; D607-C626 VanDerWaalsContact O-SG 3.4Å; D607-C626 WeakPolarHBondContact OD1-CB 3.34Å
608	L	91.6	Very high	89.4	Confident	5 Å²	5	46.8 Å²	46.8	3%	0.026	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	115.8	177.8	-68.3	175.8	0	0	0	111.8	Y572 E576 R602 L603 D606 F623 R625	Y572-L608 HydrophobicContact CE1-CD1 4.04Å; Y572-L608 HydrophobicContact CE2-CD1 3.82Å; Y572-L608 VanDerWaalsContact CZ-CD1 3.48Å; Y572-L608 WeakPolarHBondContact OH-CD1 3.4Å; E576-L608 HydrophobicContact CG-CD2 4.2Å; R602-L608 CarbonylContact C-O 3.59Å; R602-L608 WeakPolarHBondContact CA-O 3.49Å; R602-L608 VanDerWaalsContact CB-O 3.28Å; R602-L608 WeakPolarHBondContact CB-O 3.19Å; L603-L608 PolarHBondContact N-O 3.43Å; D606-L608 PolarHBondContact OD1-N 2.89Å; L608-F623 HydrophobicContact CB-CD1 4.4Å; L608-R625 HydrophobicContact CD2-CG 4.25Å
609	C	94.7	Very high	89.6	Confident	0 Å²	0	46 Å²	46	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	154.6	179	-81.1	0	0	0	0	112	L601 F623 Y624 C626 Q633	L601-C609 CarbonylContact O-C 3.55Å; L601-C609 WeakPolarHBondContact O-CA 3.38Å; C609-F623 CarbonylContact O-C 3.38Å; C609-F623 WeakPolarHBondContact O-CA 3.44Å; C609-Y624 PolarHBondContact N-O 2.9Å; C609-Y624 PolarHBondContact O-N 3.17Å; C609-C626 HydrophobicContact CB-CB 4.01Å; C609-C626 WeakPolarHBondContact CB-SG 3.3Å; C609-C626 PolarHBondContact N-SG 2.85Å; C609-C626 VanDerWaalsContact SG-CA 3.57Å; C609-C626 WeakPolarHBondContact SG-CB 3.44Å; C609-C626 CovalentContact SG-SG 2.03Å; C609-C626 PolarHBondContact SG-SG 3.24Å; C609-Q633 HydrophobicContact CB-CG 4.33Å
610	L	95.6	Very high	89.7	Confident	0 Å²	0	45.8 Å²	45.8	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	128.4	164.8	-88.3	63.1	0	0	0	109	I570 V580 F593 L601 V621 F623 W635	I570-L610 HydrophobicContact CD1-CD2 4.24Å; V580-L610 HydrophobicContact CG2-CG 4.12Å; F593-L610 HydrophobicContact CD1-CD1 4.02Å; F593-L610 HydrophobicContact CE1-CD1 3.67Å; L601-L610 HydrophobicContact CB-CB 4.4Å; L601-L610 HydrophobicContact CD2-CD2 3.63Å; L601-L610 HydrophobicContact CG-CB 4.43Å; L601-L610 HydrophobicContact CG-CD1 4.45Å; L601-L610 HydrophobicContact CG-CD2 4.04Å; L601-L610 PolarHBondContact O-N 2.78Å; L610-V621 HydrophobicContact CB-CG1 3.96Å; L610-V621 HydrophobicContact CD2-CG1 4.33Å; L610-V621 HydrophobicContact CG-CG1 4.04Å; L610-F623 HydrophobicContact CD1-CD1 4.31Å; L610-F623 HydrophobicContact CD1-CE1 3.9Å; L610-F623 HydrophobicContact CD1-CZ 4.42Å; L610-W635 HydrophobicContact CB-CZ2 4.29Å; L610-W635 PolarHBondContact O-NE1 2.83Å
611	D	94.7	Very high	89.9	Confident	5 Å²	5	45.7 Å²	45.7	3%	0.027	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	132.8	-173.7	-167.5	-59.3	0	0	0	110.3	P613 V621 V622 H627 N632 Q633	D611-P613 WeakPolarHBondContact O-CD 3.43Å; D611-V621 WeakPolarHBondContact O-CA 3.4Å; D611-V621 WeakPolarHBondContact O-CG1 3.48Å; D611-V622 HydrophobicContact CB-CG2 4.01Å; D611-V622 PolarHBondContact N-O 3.31Å; D611-V622 PolarHBondContact O-N 3.14Å; D611-H627 IonicContact OD2-NE2 3.63Å; D611-N632 PolarHBondContact OD1-ND2 2.78Å; D611-N632 PolarHBondContact OD2-ND2 2.84Å; D611-Q633 HydrophobicContact CB-CG 4.02Å; D611-Q633 VanDerWaalsContact OD2-CG 3.29Å; D611-Q633 WeakPolarHBondContact OD2-CG 3.38Å; D611-Q633 PolarHBondContact OD2-NE2 3.16Å
612	S	93.6	Very high	89.9	Confident	2 Å²	2	46.8 Å²	46.8	1%	0.014	26%	0.263	C	S	.	.			trans	-106.7	85.1	174.4	64.8	0	0	0	0	111.2	H614 N632 Q646 L649	S612-H614 VanDerWaalsContact C-N 3.28Å; S612-H614 PolarHBondContact O-N 2.89Å; S612-N632 PolarHBondContact N-O 3.05Å; S612-N632 VanDerWaalsContact N-O 3.15Å; S612-N632 WeakPolarHBondContact O-CB 3.34Å; S612-N632 PolarHBondContact OG-O 3.38Å; S612-N632 VanDerWaalsContact OG-O 3.08Å; S612-Q646 PolarHBondContact OG-NE2 3.37Å; S612-L649 WeakPolarHBondContact OG-CD1 3.38Å
613	P	87.7	Confident	89.9	Confident	59 Å²	59	44.4 Å²	44.4	38%	0.383	25%	0.254	S	S	.	.			trans	-72.5	-19.1	-169.6	27.6	-36.3	0	0	0	113.9	D611 V622	D611-P613 WeakPolarHBondContact O-CD 3.43Å; P613-V622 HydrophobicContact CG-CG2 4.12Å
614	H	87.7	Confident	89.8	Confident	122 Å²	122	49 Å²	49	57%	0.565	27%	0.272	S	S	*	.			trans	-127.4	143.2	-175.3	-55.9	-51.6	0	0	0	111.2	S612 S619 I663	S612-H614 VanDerWaalsContact C-N 3.28Å; S612-H614 PolarHBondContact O-N 2.89Å; H614-S619 WeakPolarHBondContact CB-OG 3.24Å; H614-S619 WeakPolarHBondContact O-CB 3.24Å; H614-S619 PolarHBondContact O-OG 2.93Å; H614-I663 WeakPolarHBondContact O-CD1 3.41Å
615	N	84.8	Confident	89.9	Confident	96 Å²	96	53.7 Å²	53.7	51%	0.513	29%	0.287	S	S	.	.			trans	-92.7	-0.2	176.8	-169.4	20.5	0	0	0	112.9	L649 K651	N615-L649 HydrophobicContact CB-CD2 3.95Å; N615-K651 PolarHBondContact O-NZ 2.95Å; N615-K651 PolarHBondContact OD1-NZ 3.31Å
616	A	87.4	Confident	90.2	Very high	54 Å²	54	46.6 Å²	46.6	45%	0.446	25%	0.25	S	S	.	.	S	Bend	trans	-62.6	147.9	178.1	0	0	0	0	0	110.5	D618 S619	A616-D618 PolarHBondContact O-N 3.29Å; A616-S619 WeakPolarHBondContact CA-OG 3.4Å; A616-S619 WeakPolarHBondContact CB-OG 3.29Å; A616-S619 PolarHBondContact N-OG 2.78Å; A616-S619 VanDerWaalsContact N-OG 3.16Å; A616-S619 VanDerWaalsContact O-CB 3.3Å; A616-S619 WeakPolarHBondContact O-CB 3.1Å; A616-S619 PolarHBondContact O-N 2.79Å; A616-S619 PolarHBondContact O-OG 2.86Å
617	P	83	Confident	90.1	Very high	100 Å²	100	45.5 Å²	45.5	65%	0.649	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.4	140.1	169.9	-22.9	33.4	0	0	0	110.7	S619	P617-S619 PolarHBondContact O-N 2.79Å
618	D	88.9	Confident	89.9	Confident	81 Å²	81	43.8 Å²	43.8	43%	0.433	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.5	20.9	-178.2	-75.7	-43.9	0	0	0	115.4	A616 A620 V662 I663 R664	A616-D618 PolarHBondContact O-N 3.29Å; D618-A620 PolarHBondContact O-N 3.37Å; D618-V662 WeakPolarHBondContact O-CG1 3.45Å; D618-I663 PolarHBondContact N-O 3.4Å; D618-R664 IonicContact OD1-CZ 3.82Å; D618-R664 IonicContact OD1-NE 3.7Å; D618-R664 PolarHBondContact OD1-NE 3.34Å; D618-R664 IonicContact OD1-NH2 3.22Å; D618-R664 PolarHBondContact OD1-NH2 2.81Å; D618-R664 IonicContact OD2-NE 3.82Å; D618-R664 IonicContact OD2-NH2 2.75Å
619	S	91.4	Very high	89.2	Confident	12 Å²	12	49.5 Å²	49.5	8%	0.084	27%	0.266	C	S	.	.	P	Polyproline II helix	trans	-60.8	131.5	170.6	-65.7	0	0	0	0	110.9	H614 A616 P617 V662 I663	H614-S619 WeakPolarHBondContact CB-OG 3.24Å; H614-S619 WeakPolarHBondContact O-CB 3.24Å; H614-S619 PolarHBondContact O-OG 2.93Å; A616-S619 WeakPolarHBondContact CA-OG 3.4Å; A616-S619 WeakPolarHBondContact CB-OG 3.29Å; A616-S619 PolarHBondContact N-OG 2.78Å; A616-S619 VanDerWaalsContact N-OG 3.16Å; A616-S619 VanDerWaalsContact O-CB 3.3Å; A616-S619 WeakPolarHBondContact O-CB 3.1Å; A616-S619 PolarHBondContact O-N 2.79Å; A616-S619 PolarHBondContact O-OG 2.86Å; P617-S619 PolarHBondContact O-N 2.79Å; S619-V662 CarbonylContact O-C 3.55Å; S619-V662 WeakPolarHBondContact O-CA 3.34Å; S619-V662 WeakPolarHBondContact O-CB 3.2Å; S619-I663 PolarHBondContact O-N 3.31Å
620	A	93.2	Very high	88.7	Confident	29 Å²	29	55.5 Å²	55.5	24%	0.24	29%	0.292	C	S	.	.	B	Isolated β-bridge	trans	-63.9	138	175.7	0	0	0	0	0	111.3	V579 D618	V579-A620 HydrophobicContact CG1-CB 3.89Å; V579-A620 HydrophobicContact CG2-CB 4.08Å; D618-A620 PolarHBondContact O-N 3.37Å
621	V	95.6	Very high	88.4	Confident	0 Å²	0	56.7 Å²	56.7	0%	0	30%	0.304	C	S	.	.	P	Polyproline II helix	trans	-84.6	139.7	164.9	-177.9	0	0	0	0	107.8	V580 L610 D611 W635 L653 V661 I663	V580-V621 HydrophobicContact CB-CB 4.45Å; V580-V621 WeakPolarHBondContact CB-O 3.48Å; V580-V621 HydrophobicContact CG2-CB 4.25Å; V580-V621 HydrophobicContact CG2-CG1 3.9Å; V580-V621 WeakPolarHBondContact CG2-O 3.38Å; V580-V621 PolarHBondContact N-O 3.29Å; L610-V621 HydrophobicContact CB-CG1 3.96Å; L610-V621 HydrophobicContact CD2-CG1 4.33Å; L610-V621 HydrophobicContact CG-CG1 4.04Å; D611-V621 WeakPolarHBondContact O-CA 3.4Å; D611-V621 WeakPolarHBondContact O-CG1 3.48Å; V621-W635 HydrophobicContact CG1-CZ2 4.19Å; V621-W635 HydrophobicContact CG2-CH2 4.2Å; V621-L653 HydrophobicContact CB-CD1 4.46Å; V621-L653 HydrophobicContact CG2-CD1 3.68Å; V621-V661 PolarHBondContact N-O 2.73Å; V621-I663 HydrophobicContact CG2-CG2 3.78Å
622	V	95.1	Very high	88.2	Confident	24 Å²	24	59.1 Å²	59.1	15%	0.145	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	160.4	-178.5	-57	0	0	0	0	111	S578 V579 D611 P613	S578-V622 CarbonylContact O-C 3.56Å; S578-V622 WeakPolarHBondContact O-CA 3.17Å; S578-V622 WeakPolarHBondContact O-CB 3.31Å; V579-V622 HydrophobicContact CG2-CG1 4.28Å; D611-V622 HydrophobicContact CB-CG2 4.01Å; D611-V622 PolarHBondContact N-O 3.31Å; D611-V622 PolarHBondContact O-N 3.14Å; P613-V622 HydrophobicContact CG-CG2 4.12Å
623	F	94.1	Very high	88.2	Confident	0 Å²	0	59.1 Å²	59.1	0%	0	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	123.3	166.1	-75.4	-82.9	0	0	0	110	Y572 K577 S578 V580 F593 L608 C609 L610	Y572-F623 HydrophobicContact CD2-CB 4.43Å; Y572-F623 AromaticContact CD2-CD1 3.91Å; Y572-F623 HydrophobicContact CD2-CD1 3.91Å; Y572-F623 AromaticContact CD2-CD2 3.66Å; Y572-F623 HydrophobicContact CD2-CD2 3.66Å; Y572-F623 AromaticContact CD2-CE1 3.96Å; Y572-F623 HydrophobicContact CD2-CE1 3.96Å; Y572-F623 AromaticContact CD2-CE2 3.74Å; Y572-F623 HydrophobicContact CD2-CE2 3.74Å; Y572-F623 AromaticContact CD2-CG 3.74Å; Y572-F623 HydrophobicContact CD2-CG 3.74Å; Y572-F623 AromaticContact CD2-CZ 3.9Å; Y572-F623 HydrophobicContact CD2-CZ 3.9Å; Y572-F623 HydrophobicContact CE2-CB 4.31Å; Y572-F623 HydrophobicContact CE2-CD1 4.45Å; Y572-F623 HydrophobicContact CE2-CD2 4.26Å; Y572-F623 HydrophobicContact CE2-CG 4.11Å; Y572-F623 HydrophobicContact CG-CE1 4.34Å; Y572-F623 HydrophobicContact CG-CE2 4.44Å; Y572-F623 HydrophobicContact CG-CZ 4.25Å; K577-F623 WeakPolarHBondContact CA-O 3.21Å; K577-F623 PolarHBondContact N-O 2.81Å; S578-F623 PolarHBondContact O-N 2.65Å; V580-F623 HydrophobicContact CB-CE2 4.17Å; V580-F623 HydrophobicContact CG1-CE2 4.2Å; V580-F623 HydrophobicContact CG1-CZ 4.45Å; V580-F623 HydrophobicContact CG2-CD2 3.74Å; V580-F623 HydrophobicContact CG2-CE2 3.68Å; V580-F623 HydrophobicContact CG2-CG 4.33Å; V580-F623 HydrophobicContact CG2-CZ 4.23Å; F593-F623 AromaticContact CE1-CE1 3.73Å; F593-F623 HydrophobicContact CE1-CE1 3.73Å; F593-F623 AromaticContact CE1-CZ 3.99Å; F593-F623 HydrophobicContact CE1-CZ 3.99Å; F593-F623 HydrophobicContact CZ-CE1 4.12Å; F593-F623 AromaticContact CZ-CZ 3.94Å; F593-F623 HydrophobicContact CZ-CZ 3.94Å; L608-F623 HydrophobicContact CB-CD1 4.4Å; C609-F623 CarbonylContact O-C 3.38Å; C609-F623 WeakPolarHBondContact O-CA 3.44Å; L610-F623 HydrophobicContact CD1-CD1 4.31Å; L610-F623 HydrophobicContact CD1-CE1 3.9Å; L610-F623 HydrophobicContact CD1-CZ 4.42Å
624	Y	91.5	Very high	88.5	Confident	101 Å²	101	56.3 Å²	56.3	40%	0.396	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	156.5	176.8	-158.8	-95.7	0	0	0	110.4	K577 C609 C626	K577-Y624 HydrophobicContact CD-CD2 4.34Å; K577-Y624 HydrophobicContact CD-CE2 4.03Å; K577-Y624 HydrophobicContact CG-CD2 3.98Å; K577-Y624 HydrophobicContact CG-CE2 4.16Å; C609-Y624 PolarHBondContact N-O 2.9Å; C609-Y624 PolarHBondContact O-N 3.17Å; Y624-C626 PolarHBondContact O-N 3.5Å
625	R	88.8	Confident	88.9	Confident	144 Å²	144	50.6 Å²	50.6	54%	0.543	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.9	135	177.6	-69.9	-172.2	179.9	-153.9	-5.8	110.6	E576 D607 L608 H627 Q633	E576-R625 IonicContact OE1-CZ 3.15Å; E576-R625 IonicContact OE1-NE 3.93Å; E576-R625 PolarHBondContact OE1-NE 3.13Å; E576-R625 IonicContact OE1-NH2 3.31Å; E576-R625 PolarHBondContact OE1-NH2 3.35Å; E576-R625 IonicContact OE2-CZ 2.79Å; E576-R625 IonicContact OE2-NE 2.8Å; E576-R625 PolarHBondContact OE2-NE 2.8Å; E576-R625 IonicContact OE2-NH2 3.45Å; D607-R625 CarbonylContact O-C 3.54Å; D607-R625 VanDerWaalsContact O-CA 3.29Å; D607-R625 WeakPolarHBondContact O-CA 3.37Å; L608-R625 HydrophobicContact CD2-CG 4.25Å; R625-H627 PolarHBondContact O-N 3.29Å; R625-Q633 PolarHBondContact O-NE2 3.18Å
626	C	87.6	Confident	89.4	Confident	13 Å²	13	49.7 Å²	49.7	9%	0.088	27%	0.265	C	S	.	.			trans	-64.6	117.9	-178.5	-61.7	0	0	0	0	109.9	D607 C609 Y624	D607-C626 VanDerWaalsContact C-SG 3.58Å; D607-C626 PolarHBondContact O-N 2.73Å; D607-C626 PolarHBondContact O-SG 2.94Å; D607-C626 VanDerWaalsContact O-SG 3.4Å; D607-C626 WeakPolarHBondContact OD1-CB 3.34Å; C609-C626 HydrophobicContact CB-CB 4.01Å; C609-C626 WeakPolarHBondContact CB-SG 3.3Å; C609-C626 PolarHBondContact N-SG 2.85Å; C609-C626 VanDerWaalsContact SG-CA 3.57Å; C609-C626 WeakPolarHBondContact SG-CB 3.44Å; C609-C626 CovalentContact SG-SG 2.03Å; C609-C626 PolarHBondContact SG-SG 3.24Å; Y624-C626 PolarHBondContact O-N 3.5Å
627	H	81.7	Confident	89.8	Confident	49 Å²	49	48.4 Å²	48.4	23%	0.227	25%	0.249	C	C	.	.			trans	-96.8	-12.7	-179.8	54.4	81.1	0	0	0	113.1	D611 R625 Q629 K630 N632 Q633	D611-H627 IonicContact OD2-NE2 3.63Å; R625-H627 PolarHBondContact O-N 3.29Å; H627-Q629 WeakPolarHBondContact ND1-CB 3.4Å; H627-Q629 PolarHBondContact ND1-N 2.95Å; H627-Q629 WeakPolarHBondContact O-CG 3.5Å; H627-Q629 PolarHBondContact O-N 2.77Å; H627-K630 PolarHBondContact CE1-O 2.85Å; H627-N632 PolarHBondContact NE2-OD1 3.43Å; H627-Q633 PolarHBondContact CD2-NE2 3.45Å; H627-Q633 PolarHBondContact CD2-OE1 3.26Å; H627-Q633 WeakPolarHBondContact NE2-CG 3.37Å; H627-Q633 PolarHBondContact NE2-OE1 2.88Å
628	G	79.5	Confident	90.4	Very high	24 Å²	24	48.4 Å²	48.4	25%	0.247	24%	0.236	C	C	.	.	S	Bend	trans	65.6	5.1	176.5	0	0	0	0	0	115	K630	G628-K630 VanDerWaalsContact C-N 3.26Å; G628-K630 PolarHBondContact O-N 2.93Å
629	Q	76.6	Confident	90.5	Very high	125 Å²	125	47.6 Å²	47.6	58%	0.584	24%	0.235	S	C	*	.	S	Bend	trans	-89.2	12.6	180	-54.8	177.1	0	0	0	112.7	H627 G631	H627-Q629 WeakPolarHBondContact ND1-CB 3.4Å; H627-Q629 PolarHBondContact ND1-N 2.95Å; H627-Q629 WeakPolarHBondContact O-CG 3.5Å; H627-Q629 PolarHBondContact O-N 2.77Å; Q629-G631 PolarHBondContact O-N 2.8Å
630	K	84.8	Confident	90.5	Very high	126 Å²	126	55.1 Å²	55.1	55%	0.548	28%	0.275	S	S	.	.			trans	60.8	-115.4	-171.3	-57.4	-178.8	-180	-176.9	0	110.6	H627 G628 N632 Q633 A634	H627-K630 PolarHBondContact CE1-O 2.85Å; G628-K630 VanDerWaalsContact C-N 3.26Å; G628-K630 PolarHBondContact O-N 2.93Å; K630-N632 PolarHBondContact O-N 2.81Å; K630-Q633 PolarHBondContact O-N 3.48Å; K630-Q633 VanDerWaalsContact O-N 3.07Å; K630-A634 HydrophobicContact CB-CB 3.85Å
631	G	88	Confident	90.5	Very high	24 Å²	24	55.5 Å²	55.5	25%	0.247	28%	0.276	C	S	.	.	G	3₁₀ helix	trans	64.7	-133	173.9	0	0	0	0	0	113.2	Q629 Q633 A634 Q646 V648	Q629-G631 PolarHBondContact O-N 2.8Å; G631-Q633 PolarHBondContact O-N 3.17Å; G631-A634 WeakPolarHBondContact O-CB 3.2Å; G631-A634 PolarHBondContact O-N 2.95Å; G631-Q646 PolarHBondContact O-NE2 2.03Å; G631-V648 WeakPolarHBondContact O-CG2 3.48Å
632	N	91.4	Very high	90.5	Very high	56 Å²	56	56.3 Å²	56.3	30%	0.299	28%	0.282	S	S	.	.	G	3₁₀ helix	trans	-62.4	-13.5	172.6	53	-34.5	0	0	0	114.4	D611 S612 H627 K630 Q646	D611-N632 PolarHBondContact OD1-ND2 2.78Å; D611-N632 PolarHBondContact OD2-ND2 2.84Å; S612-N632 PolarHBondContact N-O 3.05Å; S612-N632 VanDerWaalsContact N-O 3.15Å; S612-N632 WeakPolarHBondContact O-CB 3.34Å; S612-N632 PolarHBondContact OG-O 3.38Å; S612-N632 VanDerWaalsContact OG-O 3.08Å; H627-N632 PolarHBondContact NE2-OD1 3.43Å; K630-N632 PolarHBondContact O-N 2.81Å; N632-Q646 VanDerWaalsContact CA-NE2 3.27Å; N632-Q646 PolarHBondContact O-NE2 3.21Å
633	Q	94.1	Very high	90.5	Very high	2 Å²	2	57.3 Å²	57.3	1%	0.009	28%	0.283	C	S	.	.	G	3₁₀ helix	trans	-105.4	9.9	175.2	-66.8	-176.5	-5	0	0	113.7	C609 D611 R625 H627 K630 G631 W635	C609-Q633 HydrophobicContact CB-CG 4.33Å; D611-Q633 HydrophobicContact CB-CG 4.02Å; D611-Q633 VanDerWaalsContact OD2-CG 3.29Å; D611-Q633 WeakPolarHBondContact OD2-CG 3.38Å; D611-Q633 PolarHBondContact OD2-NE2 3.16Å; R625-Q633 PolarHBondContact O-NE2 3.18Å; H627-Q633 PolarHBondContact CD2-NE2 3.45Å; H627-Q633 PolarHBondContact CD2-OE1 3.26Å; H627-Q633 WeakPolarHBondContact NE2-CG 3.37Å; H627-Q633 PolarHBondContact NE2-OE1 2.88Å; K630-Q633 PolarHBondContact O-N 3.48Å; K630-Q633 VanDerWaalsContact O-N 3.07Å; G631-Q633 PolarHBondContact O-N 3.17Å; Q633-W635 PolarHBondContact O-N 2.63Å
634	A	94.3	Very high	90.6	Very high	1 Å²	1	57.4 Å²	57.4	1%	0.008	28%	0.283	C	S	.	.			trans	-87.1	109.8	179.9	0	0	0	0	0	111.7	P599 K630 G631 Q646 T647 V648	P599-A634 CarbonylContact O-C 3.52Å; P599-A634 WeakPolarHBondContact O-CA 3.36Å; K630-A634 HydrophobicContact CB-CB 3.85Å; G631-A634 WeakPolarHBondContact O-CB 3.2Å; G631-A634 PolarHBondContact O-N 2.95Å; A634-Q646 WeakPolarHBondContact O-CA 3.42Å; A634-T647 WeakPolarHBondContact CB-OG1 3.3Å; A634-T647 PolarHBondContact O-N 3.31Å; A634-V648 HydrophobicContact CB-CG2 4.46Å
635	W	95.8	Very high	90.8	Very high	1 Å²	1	54.9 Å²	54.9	0%	0.004	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	146.4	-176.5	-59.1	98.5	0	0	0	112	L595 P599 L601 L610 V621 Q633 I644 Y645 Q646 L653 I663	L595-W635 HydrophobicContact CD1-CB 4.22Å; P599-W635 WeakPolarHBondContact CB-O 3.34Å; P599-W635 PolarHBondContact O-N 2.67Å; L601-W635 HydrophobicContact CB-CB 3.97Å; L601-W635 HydrophobicContact CB-CG 3.81Å; L601-W635 HydrophobicContact CD2-CG 4.44Å; L610-W635 HydrophobicContact CB-CZ2 4.29Å; L610-W635 PolarHBondContact O-NE1 2.83Å; V621-W635 HydrophobicContact CG1-CZ2 4.19Å; V621-W635 HydrophobicContact CG2-CH2 4.2Å; Q633-W635 PolarHBondContact O-N 2.63Å; W635-I644 HydrophobicContact CD2-CG2 4.45Å; W635-I644 HydrophobicContact CE3-CG2 3.73Å; W635-I644 HydrophobicContact CZ3-CG2 4.34Å; W635-Y645 CarbonylContact C-O 3.56Å; W635-Y645 VanDerWaalsContact CA-O 3.31Å; W635-Y645 WeakPolarHBondContact CA-O 3.42Å; W635-Q646 HydrophobicContact CD2-CG 4.35Å; W635-Q646 HydrophobicContact CE3-CB 3.86Å; W635-Q646 HydrophobicContact CE3-CG 4.01Å; W635-Q646 HydrophobicContact CH2-CB 4.03Å; W635-Q646 HydrophobicContact CH2-CG 3.73Å; W635-Q646 HydrophobicContact CZ2-CG 4.06Å; W635-Q646 HydrophobicContact CZ3-CB 3.53Å; W635-Q646 HydrophobicContact CZ3-CG 3.71Å; W635-L653 HydrophobicContact CH2-CD1 3.83Å; W635-L653 HydrophobicContact CZ3-CB 4.35Å; W635-L653 HydrophobicContact CZ3-CD1 3.92Å; W635-I663 HydrophobicContact CH2-CG2 3.95Å; W635-I663 HydrophobicContact CZ3-CG2 4.47Å
636	Q	95.4	Very high	91.1	Very high	77 Å²	77	48 Å²	48	36%	0.36	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	146.7	170.6	-70.9	-178.2	-7.8	0	0	109.5	Y638 I644 Y645 T647	Q636-Y638 HydrophobicContact CB-CE2 4.37Å; Q636-Y638 PolarHBondContact OE1-OH 3.47Å; Q636-I644 CarbonylContact O-C 3.54Å; Q636-I644 WeakPolarHBondContact O-CA 3.34Å; Q636-Y645 PolarHBondContact N-O 3.29Å; Q636-Y645 PolarHBondContact O-N 3.43Å; Q636-T647 HydrophobicContact CB-CG2 4.36Å; Q636-T647 HydrophobicContact CG-CG2 3.61Å
637	Y	95.4	Very high	91.2	Very high	28 Å²	28	49.5 Å²	49.5	11%	0.11	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	125.4	174.9	177.1	-119.3	0	0	0	110.2	Y557 P639 R643 I644 W675 W677	Y557-Y637 AromaticContact CD1-CD1 3.98Å; Y557-Y637 HydrophobicContact CD1-CD1 3.98Å; Y557-Y637 HydrophobicContact CD1-CE1 4.12Å; Y557-Y637 AromaticContact CD2-CD1 3.96Å; Y557-Y637 HydrophobicContact CD2-CD1 3.96Å; Y557-Y637 AromaticContact CE1-CD1 3.73Å; Y557-Y637 HydrophobicContact CE1-CD1 3.73Å; Y557-Y637 AromaticContact CE1-CE1 3.8Å; Y557-Y637 HydrophobicContact CE1-CE1 3.8Å; Y557-Y637 AromaticContact CE2-CD1 3.73Å; Y557-Y637 HydrophobicContact CE2-CD1 3.73Å; Y557-Y637 HydrophobicContact CG-CD1 4.1Å; Y557-Y637 AromaticContact CZ-CD1 3.61Å; Y637-P639 HydrophobicContact CE1-CB 4Å; Y637-P639 WeakPolarHBondContact O-CD 3.48Å; Y637-R643 WeakPolarHBondContact CA-O 3.46Å; Y637-R643 WeakPolarHBondContact CD2-O 3.49Å; Y637-I644 HydrophobicContact CD2-CG1 3.66Å; Y637-I644 HydrophobicContact CE2-CG1 4.35Å; Y637-W675 WeakPolarHBondContact CE2-O 3.3Å; Y637-W675 PolarHBondContact OH-O 3.18Å; Y637-W677 HydrophobicContact CD1-CE3 4.32Å; Y637-W677 HydrophobicContact CE1-CB 4.04Å; Y637-W677 HydrophobicContact CG-CE3 4.28Å
638	Y	94.3	Very high	91.5	Very high	100 Å²	100	51.3 Å²	51.3	39%	0.392	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	99.7	177.8	-62.1	-73.9	0	0	0	109.4	Q636 N640 S641 S642 R643 Y645	Q636-Y638 HydrophobicContact CB-CE2 4.37Å; Q636-Y638 PolarHBondContact OE1-OH 3.47Å; Y638-N640 VanDerWaalsContact C-N 3.34Å; Y638-N640 PolarHBondContact O-N 3.16Å; Y638-S641 WeakPolarHBondContact CB-OG 3.36Å; Y638-S641 PolarHBondContact O-N 3.39Å; Y638-S641 PolarHBondContact O-OG 2.88Å; Y638-S642 WeakPolarHBondContact O-CA 3.38Å; Y638-S642 PolarHBondContact O-N 3.47Å; Y638-R643 PolarHBondContact N-O 3.34Å; Y638-R643 PolarHBondContact O-N 3.35Å; Y638-R643 VanDerWaalsContact O-N 3.16Å; Y638-Y645 HydrophobicContact CE2-CD1 4.1Å; Y638-Y645 AromaticContact CE2-CG 3.95Å; Y638-Y645 HydrophobicContact CE2-CG 3.95Å
639	P	91.2	Very high	92	Very high	63 Å²	63	52 Å²	52	41%	0.409	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-37.4	-173	23.8	-34.3	0	0	0	113	Y637 S641 S642	Y637-P639 HydrophobicContact CE1-CB 4Å; Y637-P639 WeakPolarHBondContact O-CD 3.48Å; P639-S641 VanDerWaalsContact C-N 3.3Å; P639-S641 PolarHBondContact O-N 3.33Å; P639-S642 PolarHBondContact O-N 3.35Å
640	N	92.3	Very high	92.7	Very high	170 Å²	170	52.5 Å²	52.5	91%	0.909	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.6	-35.2	-178.6	-67	-6.8	0	0	0	113	Y638	Y638-N640 VanDerWaalsContact C-N 3.34Å; Y638-N640 PolarHBondContact O-N 3.16Å
641	S	93.3	Very high	93.2	Very high	37 Å²	37	46.9 Å²	46.9	26%	0.259	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.5	-5.1	177.7	61	0	0	0	0	112.9	Y638 P639 R643	Y638-S641 WeakPolarHBondContact CB-OG 3.36Å; Y638-S641 PolarHBondContact O-N 3.39Å; Y638-S641 PolarHBondContact O-OG 2.88Å; P639-S641 VanDerWaalsContact C-N 3.3Å; P639-S641 PolarHBondContact O-N 3.33Å; S641-R643 WeakPolarHBondContact O-CG 3.48Å; S641-R643 PolarHBondContact O-N 3.39Å; S641-R643 WeakPolarHBondContact OG-CG 3.12Å
642	S	95.4	Very high	93.6	Very high	18 Å²	18	45.9 Å²	45.9	13%	0.126	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	53	38.5	-171.5	-47.3	0	0	0	0	112.3	Q564 Y638 P639 K674 W675 N676	Q564-S642 PolarHBondContact NE2-OG 2.05Å; Y638-S642 WeakPolarHBondContact O-CA 3.38Å; Y638-S642 PolarHBondContact O-N 3.47Å; P639-S642 PolarHBondContact O-N 3.35Å; S642-K674 CarbonylContact O-C 3.48Å; S642-K674 VanDerWaalsContact O-CA 3.28Å; S642-K674 WeakPolarHBondContact O-CA 3.34Å; S642-W675 WeakPolarHBondContact CB-O 3.46Å; S642-W675 PolarHBondContact O-N 2.99Å; S642-N676 PolarHBondContact OG-OD1 2.99Å
643	R	95.2	Very high	93.8	Very high	45 Å²	45	43.2 Å²	43.2	17%	0.17	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	137.7	-176.1	-64.2	-179.9	-167.6	163	9	110.9	Y637 Y638 S641 E668	Y637-R643 WeakPolarHBondContact CA-O 3.46Å; Y637-R643 WeakPolarHBondContact CD2-O 3.49Å; Y638-R643 PolarHBondContact N-O 3.34Å; Y638-R643 PolarHBondContact O-N 3.35Å; Y638-R643 VanDerWaalsContact O-N 3.16Å; S641-R643 WeakPolarHBondContact O-CG 3.48Å; S641-R643 PolarHBondContact O-N 3.39Å; S641-R643 WeakPolarHBondContact OG-CG 3.12Å; R643-E668 IonicContact NH1-OE1 3.46Å; R643-E668 IonicContact NH2-OE1 3.3Å; R643-E668 PolarHBondContact NH2-OE1 2.79Å
644	I	96.6	Very high	94	Very high	2 Å²	2	43.1 Å²	43.1	1%	0.01	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	122.6	166	-63.2	171.3	0	0	0	107.2	I561 L601 W635 Q636 Y637 C652 L653 W675	I561-I644 HydrophobicContact CD1-CD1 4.34Å; I561-I644 HydrophobicContact CG2-CD1 3.62Å; L601-I644 HydrophobicContact CD2-CD1 4.36Å; L601-I644 HydrophobicContact CD2-CG2 4.09Å; W635-I644 HydrophobicContact CD2-CG2 4.45Å; W635-I644 HydrophobicContact CE3-CG2 3.73Å; W635-I644 HydrophobicContact CZ3-CG2 4.34Å; Q636-I644 CarbonylContact O-C 3.54Å; Q636-I644 WeakPolarHBondContact O-CA 3.34Å; Y637-I644 HydrophobicContact CD2-CG1 3.66Å; Y637-I644 HydrophobicContact CE2-CG1 4.35Å; I644-C652 WeakPolarHBondContact O-CA 3.06Å; I644-L653 HydrophobicContact CB-CB 3.91Å; I644-L653 HydrophobicContact CB-CD2 4.16Å; I644-L653 HydrophobicContact CD1-CD2 3.95Å; I644-L653 HydrophobicContact CG2-CB 4.08Å; I644-L653 HydrophobicContact CG2-CD2 4.11Å; I644-L653 PolarHBondContact O-N 3.43Å; I644-W675 HydrophobicContact CD1-CB 3.83Å; I644-W675 HydrophobicContact CD1-CG 3.96Å; I644-W675 HydrophobicContact CG1-CB 4.16Å; I644-W675 HydrophobicContact CG1-CG 4.33Å
645	Y	95.6	Very high	94	Very high	47 Å²	47	44.6 Å²	44.6	18%	0.184	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	132.8	-169.8	178.5	-106.8	0	0	0	110.9	W635 Q636 Y638 T647 E650	W635-Y645 CarbonylContact C-O 3.56Å; W635-Y645 VanDerWaalsContact CA-O 3.31Å; W635-Y645 WeakPolarHBondContact CA-O 3.42Å; Q636-Y645 PolarHBondContact N-O 3.29Å; Q636-Y645 PolarHBondContact O-N 3.43Å; Y638-Y645 HydrophobicContact CE2-CD1 4.1Å; Y638-Y645 AromaticContact CE2-CG 3.95Å; Y638-Y645 HydrophobicContact CE2-CG 3.95Å; Y645-T647 HydrophobicContact CD1-CG2 4.07Å; Y645-T647 HydrophobicContact CE1-CG2 4.26Å; Y645-E650 VanDerWaalsContact CE2-C 3.45Å; Y645-E650 HydrophobicContact CE2-CB 4.37Å; Y645-E650 VanDerWaalsContact OH-CA 3.24Å; Y645-E650 WeakPolarHBondContact OH-CA 3.19Å; Y645-E650 VanDerWaalsContact OH-CB 3.24Å; Y645-E650 WeakPolarHBondContact OH-CB 3.18Å; Y645-E650 WeakPolarHBondContact OH-CG 3.31Å
646	Q	94.1	Very high	93.9	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	117.9	175	-152.7	-70.5	-9.5	0	0	107.7	S612 G631 N632 A634 W635 V648 E650 K651	S612-Q646 PolarHBondContact OG-NE2 3.37Å; G631-Q646 PolarHBondContact O-NE2 2.03Å; N632-Q646 VanDerWaalsContact CA-NE2 3.27Å; N632-Q646 PolarHBondContact O-NE2 3.21Å; A634-Q646 WeakPolarHBondContact O-CA 3.42Å; W635-Q646 HydrophobicContact CD2-CG 4.35Å; W635-Q646 HydrophobicContact CE3-CB 3.86Å; W635-Q646 HydrophobicContact CE3-CG 4.01Å; W635-Q646 HydrophobicContact CH2-CB 4.03Å; W635-Q646 HydrophobicContact CH2-CG 3.73Å; W635-Q646 HydrophobicContact CZ2-CG 4.06Å; W635-Q646 HydrophobicContact CZ3-CB 3.53Å; W635-Q646 HydrophobicContact CZ3-CG 3.71Å; Q646-V648 PolarHBondContact O-N 2.89Å; Q646-E650 WeakPolarHBondContact O-CA 3.06Å; Q646-E650 PolarHBondContact O-N 2.8Å; Q646-E650 VanDerWaalsContact O-N 3.14Å; Q646-K651 WeakPolarHBondContact CB-O 3.42Å; Q646-K651 PolarHBondContact N-O 3.49Å; Q646-K651 PolarHBondContact O-N 2.95Å
647	T	89.4	Confident	93.5	Very high	45 Å²	45	47.9 Å²	47.9	28%	0.276	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.7	-19.8	-166.1	61.2	0	0	0	0	115.4	A634 Q636 Y645	A634-T647 WeakPolarHBondContact CB-OG1 3.3Å; A634-T647 PolarHBondContact O-N 3.31Å; Q636-T647 HydrophobicContact CB-CG2 4.36Å; Q636-T647 HydrophobicContact CG-CG2 3.61Å; Y645-T647 HydrophobicContact CD1-CG2 4.07Å; Y645-T647 HydrophobicContact CE1-CG2 4.26Å
648	V	88.4	Confident	93	Very high	87 Å²	87	50.5 Å²	50.5	53%	0.527	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.9	-37.5	-175.1	174	0	0	0	0	112.1	G631 A634 Q646	G631-V648 WeakPolarHBondContact O-CG2 3.48Å; A634-V648 HydrophobicContact CB-CG2 4.46Å; Q646-V648 PolarHBondContact O-N 2.89Å
649	L	90	Very high	92.5	Very high	38 Å²	38	46.9 Å²	46.9	20%	0.199	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.3	-6.9	178	-57.5	-177.8	0	0	0	112.2	S612 N615 K651 I663	S612-L649 WeakPolarHBondContact OG-CD1 3.38Å; N615-L649 HydrophobicContact CB-CD2 3.95Å; L649-K651 VanDerWaalsContact C-N 3.25Å; L649-K651 HydrophobicContact CB-CB 4.46Å; L649-K651 HydrophobicContact CB-CD 4.33Å; L649-K651 WeakPolarHBondContact O-CG 2.99Å; L649-K651 PolarHBondContact O-N 2.89Å; L649-I663 HydrophobicContact CD1-CD1 3.38Å
650	E	92.5	Very high	92.5	Very high	135 Å²	135	46 Å²	46	63%	0.631	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.7	40.9	-178	-54.4	-172.9	164	0	0	113.4	Y645 Q646	Y645-E650 VanDerWaalsContact CE2-C 3.45Å; Y645-E650 HydrophobicContact CE2-CB 4.37Å; Y645-E650 VanDerWaalsContact OH-CA 3.24Å; Y645-E650 WeakPolarHBondContact OH-CA 3.19Å; Y645-E650 VanDerWaalsContact OH-CB 3.24Å; Y645-E650 WeakPolarHBondContact OH-CB 3.18Å; Y645-E650 WeakPolarHBondContact OH-CG 3.31Å; Q646-E650 WeakPolarHBondContact O-CA 3.06Å; Q646-E650 PolarHBondContact O-N 2.8Å; Q646-E650 VanDerWaalsContact O-N 3.14Å
651	K	94.9	Very high	92.7	Very high	9 Å²	9	38 Å²	38	4%	0.039	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	154	-174.2	-79.2	172.1	-178.6	174.5	0	111.9	N615 Q646 L649 I663 R664	N615-K651 PolarHBondContact O-NZ 2.95Å; N615-K651 PolarHBondContact OD1-NZ 3.31Å; Q646-K651 WeakPolarHBondContact CB-O 3.42Å; Q646-K651 PolarHBondContact N-O 3.49Å; Q646-K651 PolarHBondContact O-N 2.95Å; L649-K651 VanDerWaalsContact C-N 3.25Å; L649-K651 HydrophobicContact CB-CB 4.46Å; L649-K651 HydrophobicContact CB-CD 4.33Å; L649-K651 WeakPolarHBondContact O-CG 2.99Å; L649-K651 PolarHBondContact O-N 2.89Å; K651-I663 HydrophobicContact CB-CB 4.14Å; K651-I663 HydrophobicContact CD-CB 4.48Å; K651-I663 HydrophobicContact CD-CD1 3.91Å; K651-I663 HydrophobicContact CD-CG1 4.32Å; K651-R664 CarbonylContact C-O 3.46Å; K651-R664 WeakPolarHBondContact CA-O 3.44Å; K651-R664 VanDerWaalsContact CB-O 3.3Å; K651-R664 WeakPolarHBondContact CB-O 3.47Å
652	C	96	Very high	92.8	Very high	2 Å²	2	36.4 Å²	36.4	1%	0.014	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	143.3	177.5	-75.6	0	0	0	0	110.9	I644 I663 R664 C666	I644-C652 WeakPolarHBondContact O-CA 3.06Å; C652-I663 WeakPolarHBondContact O-CA 3.5Å; C652-R664 PolarHBondContact N-O 2.89Å; C652-R664 PolarHBondContact O-N 2.85Å; C652-C666 HydrophobicContact CB-CB 4.04Å; C652-C666 WeakPolarHBondContact CB-SG 3.47Å; C652-C666 PolarHBondContact N-SG 3.49Å; C652-C666 WeakPolarHBondContact SG-CB 3.28Å; C652-C666 CovalentContact SG-SG 2.05Å; C652-C666 PolarHBondContact SG-SG 2.96Å
653	L	96.7	Very high	92.8	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.6	133.3	169.4	-162.7	72.8	0	0	0	109.2	I570 V621 W635 I644 V661 Q673 W675	I570-L653 HydrophobicContact CD1-CD2 3.84Å; V621-L653 HydrophobicContact CB-CD1 4.46Å; V621-L653 HydrophobicContact CG2-CD1 3.68Å; W635-L653 HydrophobicContact CH2-CD1 3.83Å; W635-L653 HydrophobicContact CZ3-CB 4.35Å; W635-L653 HydrophobicContact CZ3-CD1 3.92Å; I644-L653 HydrophobicContact CB-CB 3.91Å; I644-L653 HydrophobicContact CB-CD2 4.16Å; I644-L653 HydrophobicContact CD1-CD2 3.95Å; I644-L653 HydrophobicContact CG2-CB 4.08Å; I644-L653 HydrophobicContact CG2-CD2 4.11Å; I644-L653 PolarHBondContact O-N 3.43Å; L653-V661 HydrophobicContact CD1-CG1 3.41Å; L653-V661 VanDerWaalsContact CD1-CG1 3.41Å; L653-V661 HydrophobicContact CD2-CG1 3.98Å; L653-V661 HydrophobicContact CG-CG1 3.57Å; L653-Q673 WeakPolarHBondContact O-CA 3.22Å; L653-W675 HydrophobicContact CD2-CD2 4.34Å; L653-W675 HydrophobicContact CD2-CZ2 4.03Å; L653-W675 HydrophobicContact CG-CZ2 3.98Å; L653-W675 PolarHBondContact O-NE1 2.99Å
654	A	96.5	Very high	92.8	Very high	0 Å²	0	36 Å²	36	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	148.4	-174.4	0	0	0	0	0	111.8	V662 R664 K672 Q673	A654-V662 HydrophobicContact CB-CG2 4.14Å; A654-V662 PolarHBondContact N-O 2.83Å; A654-V662 WeakPolarHBondContact O-CG2 3.48Å; A654-V662 PolarHBondContact O-N 2.93Å; A654-R664 HydrophobicContact CB-CB 4.24Å; A654-R664 HydrophobicContact CB-CG 4.08Å; A654-K672 WeakPolarHBondContact CA-O 3.04Å; A654-Q673 HydrophobicContact CB-CG 3.85Å
655	Y	95.8	Very high	92.7	Very high	32 Å²	32	41.7 Å²	41.7	13%	0.125	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	131.3	166.6	172.7	-114.5	0	0	0	110.7	F565 L582 L657 R664 K672	F565-Y655 AromaticContact CD1-CD1 3.73Å; F565-Y655 HydrophobicContact CD1-CD1 3.73Å; F565-Y655 AromaticContact CD1-CE1 3.82Å; F565-Y655 HydrophobicContact CD1-CE1 3.82Å; F565-Y655 HydrophobicContact CE1-CD1 4.28Å; F565-Y655 HydrophobicContact CE1-CE1 4Å; L582-Y655 HydrophobicContact CD1-CD2 3.3Å; L582-Y655 HydrophobicContact CD1-CE2 3.7Å; L582-Y655 HydrophobicContact CD1-CG 4.03Å; L582-Y655 HydrophobicContact CG-CD2 4.08Å; L582-Y655 HydrophobicContact CG-CE2 4.37Å; Y655-L657 HydrophobicContact CE1-CD2 4.36Å; Y655-R664 PolarHBondContact O-NH1 3Å; Y655-K672 PolarHBondContact N-O 2.79Å
656	S	93	Very high	92.6	Very high	19 Å²	19	41.9 Å²	41.9	13%	0.133	23%	0.23	C	C	.	.			trans	-96.9	145.8	168.5	-174.5	0	0	0	0	110.8	S658 G659 N660	S656-S658 PolarHBondContact O-N 2.89Å; S656-S658 VanDerWaalsContact O-N 3.07Å; S656-S658 PolarHBondContact OG-OG 2.9Å; S656-S658 VanDerWaalsContact OG-OG 3.13Å; S656-G659 PolarHBondContact O-N 2.71Å; S656-N660 PolarHBondContact N-O 3.44Å
657	L	86.8	Confident	92.6	Very high	129 Å²	129	50.1 Å²	50.1	68%	0.675	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.2	-14.5	176.7	-66.1	176	0	0	0	113.2	F565 Y655 G659	F565-L657 HydrophobicContact CE1-CD2 4.01Å; F565-L657 HydrophobicContact CZ-CD2 4.39Å; Y655-L657 HydrophobicContact CE1-CD2 4.36Å; L657-G659 PolarHBondContact O-N 2.63Å
658	S	84.6	Confident	92.7	Very high	83 Å²	83	55.9 Å²	55.9	58%	0.58	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.4	-3.2	170.8	59.9	0	0	0	0	114.4	S656	S656-S658 PolarHBondContact O-N 2.89Å; S656-S658 VanDerWaalsContact O-N 3.07Å; S656-S658 PolarHBondContact OG-OG 2.9Å; S656-S658 VanDerWaalsContact OG-OG 3.13Å
659	G	84.7	Confident	92.8	Very high	24 Å²	24	54.1 Å²	54.1	25%	0.247	28%	0.284	C	S	.	.	S	Bend	trans	93.9	-9.5	-178.3	0	0	0	0	0	114.6	S656 L657	S656-G659 PolarHBondContact O-N 2.71Å; L657-G659 PolarHBondContact O-N 2.63Å
660	N	91.6	Very high	93	Very high	45 Å²	45	53.8 Å²	53.8	24%	0.241	28%	0.283	C	S	.	.	B	Isolated β-bridge	trans	-89.2	156.4	-177	-61.8	-20.5	0	0	0	112.3	V579 S656	V579-N660 HydrophobicContact CG1-CB 3.98Å; S656-N660 PolarHBondContact N-O 3.44Å
661	V	95.5	Very high	93.2	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	129.8	167.4	-175.4	0	0	0	0	109.4	V580 L582 V621 L653 W675	V580-V661 HydrophobicContact CB-CB 4.02Å; V580-V661 HydrophobicContact CB-CG2 4.34Å; V580-V661 HydrophobicContact CG1-CB 3.86Å; V580-V661 HydrophobicContact CG1-CG1 4.45Å; V580-V661 HydrophobicContact CG1-CG2 3.74Å; V580-V661 PolarHBondContact O-N 2.79Å; L582-V661 HydrophobicContact CD2-CG2 3.58Å; L582-V661 HydrophobicContact CG-CG2 4.15Å; V621-V661 PolarHBondContact N-O 2.73Å; L653-V661 HydrophobicContact CD1-CG1 3.41Å; L653-V661 VanDerWaalsContact CD1-CG1 3.41Å; L653-V661 HydrophobicContact CD2-CG1 3.98Å; L653-V661 HydrophobicContact CG-CG1 3.57Å; V661-W675 HydrophobicContact CG1-CH2 4.23Å; V661-W675 HydrophobicContact CG1-CZ2 4.26Å; V661-W675 HydrophobicContact CG2-CH2 4.1Å
662	V	96.1	Very high	93.2	Very high	5 Å²	5	52.1 Å²	52.1	3%	0.03	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	169.6	-173.5	-60.5	0	0	0	0	110.8	D618 S619 A654 R664	D618-V662 WeakPolarHBondContact O-CG1 3.45Å; S619-V662 CarbonylContact O-C 3.55Å; S619-V662 WeakPolarHBondContact O-CA 3.34Å; S619-V662 WeakPolarHBondContact O-CB 3.2Å; A654-V662 HydrophobicContact CB-CG2 4.14Å; A654-V662 PolarHBondContact N-O 2.83Å; A654-V662 WeakPolarHBondContact O-CG2 3.48Å; A654-V662 PolarHBondContact O-N 2.93Å; V662-R664 HydrophobicContact CG2-CG 4.34Å
663	I	95	Very high	93.3	Very high	1 Å²	1	52.1 Å²	52.1	1%	0.005	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	139.4	167.6	59.1	167.1	0	0	0	111.6	H614 D618 S619 V621 W635 L649 K651 C652	H614-I663 WeakPolarHBondContact O-CD1 3.41Å; D618-I663 PolarHBondContact N-O 3.4Å; S619-I663 PolarHBondContact O-N 3.31Å; V621-I663 HydrophobicContact CG2-CG2 3.78Å; W635-I663 HydrophobicContact CH2-CG2 3.95Å; W635-I663 HydrophobicContact CZ3-CG2 4.47Å; L649-I663 HydrophobicContact CD1-CD1 3.38Å; K651-I663 HydrophobicContact CB-CB 4.14Å; K651-I663 HydrophobicContact CD-CB 4.48Å; K651-I663 HydrophobicContact CD-CD1 3.91Å; K651-I663 HydrophobicContact CD-CG1 4.32Å; C652-I663 WeakPolarHBondContact O-CA 3.5Å
664	R	94.8	Very high	93.3	Very high	52 Å²	52	54.8 Å²	54.8	20%	0.196	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	160.7	176.4	-72.1	-176.8	176.9	133.1	14	111.1	D618 K651 C652 A654 Y655 V662 C666	D618-R664 IonicContact OD1-CZ 3.82Å; D618-R664 IonicContact OD1-NE 3.7Å; D618-R664 PolarHBondContact OD1-NE 3.34Å; D618-R664 IonicContact OD1-NH2 3.22Å; D618-R664 PolarHBondContact OD1-NH2 2.81Å; D618-R664 IonicContact OD2-NE 3.82Å; D618-R664 IonicContact OD2-NH2 2.75Å; K651-R664 CarbonylContact C-O 3.46Å; K651-R664 WeakPolarHBondContact CA-O 3.44Å; K651-R664 VanDerWaalsContact CB-O 3.3Å; K651-R664 WeakPolarHBondContact CB-O 3.47Å; C652-R664 PolarHBondContact N-O 2.89Å; C652-R664 PolarHBondContact O-N 2.85Å; A654-R664 HydrophobicContact CB-CB 4.24Å; A654-R664 HydrophobicContact CB-CG 4.08Å; Y655-R664 PolarHBondContact O-NH1 3Å; V662-R664 HydrophobicContact CG2-CG 4.34Å; R664-C666 PolarHBondContact O-N 2.97Å
665	H	94.4	Very high	93.3	Very high	122 Å²	122	54.8 Å²	54.8	57%	0.565	29%	0.29	S	S	*	.			trans	-56.9	136.1	164.7	-70.9	-71.8	0	0	0	110	R667 Q673	H665-R667 PolarHBondContact O-N 3.37Å; H665-Q673 PolarHBondContact O-NE2 3.13Å
666	C	93.9	Very high	93.3	Very high	51 Å²	51	56.1 Å²	56.1	35%	0.345	30%	0.299	S	S	.	.			trans	-64.1	127.2	-177.5	-62.7	0	0	0	0	110.5	C652 R664	C652-C666 HydrophobicContact CB-CB 4.04Å; C652-C666 WeakPolarHBondContact CB-SG 3.47Å; C652-C666 PolarHBondContact N-SG 3.49Å; C652-C666 WeakPolarHBondContact SG-CB 3.28Å; C652-C666 CovalentContact SG-SG 2.05Å; C652-C666 PolarHBondContact SG-SG 2.96Å; R664-C666 PolarHBondContact O-N 2.97Å
667	R	94.4	Very high	93.3	Very high	174 Å²	174	56.7 Å²	56.7	66%	0.657	30%	0.298	S	S	*	.			trans	-122.6	131.1	177	-69.5	-176.8	-178.4	-179.8	0.3	110.1	H665 D670	H665-R667 PolarHBondContact O-N 3.37Å; R667-D670 HydrophobicContact CB-CB 4.08Å
668	E	90.9	Very high	93.4	Very high	166 Å²	166	54.5 Å²	54.5	78%	0.776	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.9	141.6	176.5	-58.9	-136	117.1	0	0	111.4	R643 D670	R643-E668 IonicContact NH1-OE1 3.46Å; R643-E668 IonicContact NH2-OE1 3.3Å; R643-E668 PolarHBondContact NH2-OE1 2.79Å; E668-D670 PolarHBondContact O-N 3.22Å; E668-D670 VanDerWaalsContact O-N 3.08Å
669	G	90.7	Very high	93.1	Very high	50 Å²	50	60.6 Å²	60.6	52%	0.515	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	74.8	-15.2	179.2	0	0	0	0	0	116.3	T671	G669-T671 PolarHBondContact O-N 3.26Å
670	D	94.9	Very high	93.5	Very high	31 Å²	31	62.5 Å²	62.5	17%	0.166	30%	0.303	C	S	.	.			trans	-66.5	104.6	-178.4	-172.7	-3.1	0	0	0	111.4	R667 E668 K672 Q673	R667-D670 HydrophobicContact CB-CB 4.08Å; E668-D670 PolarHBondContact O-N 3.22Å; E668-D670 VanDerWaalsContact O-N 3.08Å; D670-K672 PolarHBondContact O-N 3.29Å; D670-K672 WeakPolarHBondContact OD1-CB 3.5Å; D670-K672 PolarHBondContact OD1-N 3.36Å; D670-Q673 HydrophobicContact CB-CG 4.15Å; D670-Q673 PolarHBondContact O-N 2.97Å
671	T	95.5	Very high	93.6	Very high	57 Å²	57	63.4 Å²	63.4	35%	0.35	31%	0.307	S	S	.	.	G	3₁₀ helix	trans	-63.2	-20.5	-179.3	51.5	0	0	0	0	112.9	F565 G669 Q673 K674	F565-T671 PolarHBondContact N-O 2.97Å; G669-T671 PolarHBondContact O-N 3.26Å; T671-Q673 PolarHBondContact O-N 3.07Å; T671-K674 PolarHBondContact O-N 3.05Å
672	K	96.4	Very high	93.5	Very high	52 Å²	52	66.9 Å²	66.9	23%	0.226	32%	0.324	C	S	.	.	G	3₁₀ helix	trans	-69.9	-22.2	173.5	-57.1	-171.6	-167.1	77.8	0	112.4	N563 F565 A654 Y655 D670	N563-K672 PolarHBondContact ND2-O 3.48Å; F565-K672 HydrophobicContact CB-CG 4Å; F565-K672 HydrophobicContact CD1-CG 4Å; F565-K672 HydrophobicContact CD2-CG 4.15Å; F565-K672 HydrophobicContact CG-CG 3.78Å; A654-K672 WeakPolarHBondContact CA-O 3.04Å; Y655-K672 PolarHBondContact N-O 2.79Å; D670-K672 PolarHBondContact O-N 3.29Å; D670-K672 WeakPolarHBondContact OD1-CB 3.5Å; D670-K672 PolarHBondContact OD1-N 3.36Å
673	Q	96.7	Very high	93.3	Very high	1 Å²	1	70.5 Å²	70.5	1%	0.005	34%	0.341	C	S	.	.	G	3₁₀ helix	trans	-97.8	4.2	177.8	-55.9	-170.8	-0.5	0	0	113	L653 A654 H665 D670 T671 W675	L653-Q673 WeakPolarHBondContact O-CA 3.22Å; A654-Q673 HydrophobicContact CB-CG 3.85Å; H665-Q673 PolarHBondContact O-NE2 3.13Å; D670-Q673 HydrophobicContact CB-CG 4.15Å; D670-Q673 PolarHBondContact O-N 2.97Å; T671-Q673 PolarHBondContact O-N 3.07Å; Q673-W675 VanDerWaalsContact O-CD1 3.32Å
674	K	97.7	Very high	93.2	Very high	57 Å²	57	74.9 Å²	74.9	25%	0.248	36%	0.362	C	S	.	.			trans	-101.6	128.6	179.8	-66.1	-172.8	178.6	-175.7	0	111.5	Q564 S642 T671	Q564-K674 HydrophobicContact CB-CB 4.03Å; Q564-K674 VanDerWaalsContact CD-CB 3.45Å; Q564-K674 HydrophobicContact CG-CB 3.82Å; Q564-K674 PolarHBondContact N-O 3.07Å; S642-K674 CarbonylContact O-C 3.48Å; S642-K674 VanDerWaalsContact O-CA 3.28Å; S642-K674 WeakPolarHBondContact O-CA 3.34Å; T671-K674 PolarHBondContact O-N 3.05Å
675	W	96.8	Very high	93.1	Very high	0 Å²	0	76.4 Å²	76.4	0%	0	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	119	-173.5	-57.1	93	0	0	0	109.8	I561 K562 N563 I570 L582 Y637 S642 I644 L653 V661 Q673	I561-W675 HydrophobicContact CG2-CB 3.95Å; I561-W675 HydrophobicContact CG2-CD2 4.32Å; I561-W675 HydrophobicContact CG2-CE3 3.86Å; I561-W675 HydrophobicContact CG2-CG 4.4Å; K562-W675 CarbonylContact O-C 3.55Å; K562-W675 VanDerWaalsContact O-CA 3.31Å; K562-W675 WeakPolarHBondContact O-CA 3.47Å; N563-W675 HydrophobicContact CB-CE3 3.77Å; N563-W675 HydrophobicContact CB-CH2 4.04Å; N563-W675 HydrophobicContact CB-CZ3 3.51Å; N563-W675 WeakPolarHBondContact ND2-CH2 3.36Å; N563-W675 WeakPolarHBondContact ND2-CZ2 3.49Å; I570-W675 HydrophobicContact CD1-CE3 4.31Å; I570-W675 HydrophobicContact CD1-CH2 4.5Å; I570-W675 HydrophobicContact CD1-CZ3 4.05Å; I570-W675 HydrophobicContact CG1-CE3 4.28Å; I570-W675 HydrophobicContact CG1-CH2 4.34Å; I570-W675 HydrophobicContact CG1-CZ3 3.72Å; L582-W675 HydrophobicContact CD1-CH2 4.46Å; L582-W675 HydrophobicContact CD2-CH2 3.94Å; L582-W675 HydrophobicContact CD2-CZ3 3.79Å; Y637-W675 WeakPolarHBondContact CE2-O 3.3Å; Y637-W675 PolarHBondContact OH-O 3.18Å; S642-W675 WeakPolarHBondContact CB-O 3.46Å; S642-W675 PolarHBondContact O-N 2.99Å; I644-W675 HydrophobicContact CD1-CB 3.83Å; I644-W675 HydrophobicContact CD1-CG 3.96Å; I644-W675 HydrophobicContact CG1-CB 4.16Å; I644-W675 HydrophobicContact CG1-CG 4.33Å; L653-W675 HydrophobicContact CD2-CD2 4.34Å; L653-W675 HydrophobicContact CD2-CZ2 4.03Å; L653-W675 HydrophobicContact CG-CZ2 3.98Å; L653-W675 PolarHBondContact O-NE1 2.99Å; V661-W675 HydrophobicContact CG1-CH2 4.23Å; V661-W675 HydrophobicContact CG1-CZ2 4.26Å; V661-W675 HydrophobicContact CG2-CH2 4.1Å; Q673-W675 VanDerWaalsContact O-CD1 3.32Å
676	N	95.4	Very high	93	Very high	59 Å²	59	73.1 Å²	73.1	32%	0.316	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	121.1	174.7	-70	-16.8	0	0	0	109.2	K562 Q564 S642 Q678	K562-N676 PolarHBondContact N-O 3.42Å; K562-N676 PolarHBondContact O-N 2.76Å; Q564-N676 PolarHBondContact NE2-OD1 3.17Å; S642-N676 PolarHBondContact OG-OD1 2.99Å; N676-Q678 PolarHBondContact O-N 3.08Å
677	W	92.8	Very high	92.9	Very high	31 Å²	31	74.8 Å²	74.8	12%	0.117	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	113.1	172.9	-151.2	-58.2	0	0	0	110.4	Y557 V558 G559 I561 F593 L595 L601 Y637	Y557-W677 HydrophobicContact CD1-CG 4.46Å; Y557-W677 HydrophobicContact CG-CD2 4.38Å; V558-W677 PolarHBondContact O-NE1 3.27Å; G559-W677 VanDerWaalsContact N-NE1 3.1Å; G559-W677 PolarHBondContact O-NE1 3.06Å; I561-W677 HydrophobicContact CD1-CD2 4.37Å; I561-W677 HydrophobicContact CD1-CE3 4Å; I561-W677 HydrophobicContact CD1-CH2 3.66Å; I561-W677 HydrophobicContact CD1-CZ2 4.01Å; I561-W677 HydrophobicContact CD1-CZ3 3.62Å; I561-W677 HydrophobicContact CG1-CD2 3.87Å; I561-W677 HydrophobicContact CG1-CE3 3.88Å; I561-W677 HydrophobicContact CG1-CH2 4.18Å; I561-W677 HydrophobicContact CG1-CZ2 4.12Å; I561-W677 HydrophobicContact CG1-CZ3 4.03Å; F593-W677 HydrophobicContact CB-CH2 4.48Å; F593-W677 HydrophobicContact CB-CZ2 4.16Å; F593-W677 WeakPolarHBondContact O-CZ2 3.33Å; L595-W677 HydrophobicContact CB-CH2 3.65Å; L595-W677 HydrophobicContact CB-CZ2 4.46Å; L595-W677 HydrophobicContact CB-CZ3 4.08Å; L601-W677 HydrophobicContact CD1-CH2 3.26Å; L601-W677 HydrophobicContact CD1-CZ2 4.31Å; L601-W677 HydrophobicContact CD1-CZ3 3.73Å; Y637-W677 HydrophobicContact CD1-CE3 4.32Å; Y637-W677 HydrophobicContact CE1-CB 4.04Å; Y637-W677 HydrophobicContact CG-CE3 4.28Å
678	Q	88	Confident	92.8	Very high	84 Å²	84	66.6 Å²	66.6	39%	0.393	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	117.2	-179.9	-58.4	-172.9	-43.3	0	0	108.6	G559 S560 N676	G559-Q678 CarbonylContact C-O 3.46Å; G559-Q678 VanDerWaalsContact CA-O 3.24Å; G559-Q678 WeakPolarHBondContact CA-O 3Å; S560-Q678 PolarHBondContact N-O 3.49Å; S560-Q678 PolarHBondContact O-N 2.99Å; N676-Q678 PolarHBondContact O-N 3.08Å
679	K	78	Confident	93	Very high	211 Å²	211	57.5 Å²	57.5	92%	0.917	30%	0.296	S	S	*	.			trans	-63.6	0	-177.9	-75.7	-173.5	175.1	-177.6	0	112.7	R592	R592-K679 PolarHBondContact NH1-OXT 2.97Å

Retrieved 679 of 679 residues in 211.6 ms (Link to these results)

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