A0A5K4F0C3_SCHMA Loading...

C2 domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4F0C3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 654 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	55.9	Low	64.7	Low	173 Å²	173	124.2 Å²	124.2	85%	0.852	61%	0.61	S	S	*	*				0	-74.2	0	-130.6	-157.9	-47.9	0	0	113.8	R3 D4 Q5	M1-R3 PolarHBondContact O-N 2.89Å; M1-D4 WeakPolarHBondContact CA-OD2 3.46Å; M1-D4 PolarHBondContact N-OD2 3.34Å; M1-D4 PolarHBondContact O-N 3.46Å; M1-D4 VanDerWaalsContact O-N 3.17Å; M1-Q5 PolarHBondContact O-N 3.37Å
2	Q	61.2	Low	64.4	Low	170 Å²	170	119.8 Å²	119.8	79%	0.794	60%	0.601	S	S	*	*	H	α-helix	trans	-62.2	-40.8	179.6	-78.3	-179.4	-13.7	0	0	112.8	Q5 A6	Q2-Q5 PolarHBondContact O-N 2.93Å; Q2-A6 WeakPolarHBondContact O-CB 3.49Å; Q2-A6 PolarHBondContact O-N 3.4Å
3	R	59.1	Low	64.2	Low	216 Å²	216	118.6 Å²	118.6	82%	0.815	59%	0.592	S	S	*	*	H	α-helix	trans	-60.3	-42.4	171.9	-83.8	-171.4	175.6	108.1	0.5	112.7	M1 A6 L7	M1-R3 PolarHBondContact O-N 2.89Å; R3-A6 PolarHBondContact O-N 2.86Å; R3-L7 WeakPolarHBondContact O-CB 3.45Å; R3-L7 WeakPolarHBondContact O-CG 3.42Å; R3-L7 PolarHBondContact O-N 2.83Å
4	D	61	Low	64	Low	88 Å²	88	120.5 Å²	120.5	47%	0.471	59%	0.589	S	S	.	*	H	α-helix	trans	-67.2	-36.7	177.6	-52.6	-49.8	0	0	0	112	M1 L7 K8	M1-D4 WeakPolarHBondContact CA-OD2 3.46Å; M1-D4 PolarHBondContact N-OD2 3.34Å; M1-D4 PolarHBondContact O-N 3.46Å; M1-D4 VanDerWaalsContact O-N 3.17Å; D4-L7 PolarHBondContact O-N 2.72Å; D4-K8 WeakPolarHBondContact O-CB 3.41Å; D4-K8 VanDerWaalsContact O-CG 3.23Å; D4-K8 WeakPolarHBondContact O-CG 3.49Å; D4-K8 PolarHBondContact O-N 3.47Å
5	Q	70.8	Confident	63.4	Low	127 Å²	127	118.9 Å²	118.9	59%	0.593	58%	0.583	S	S	*	*	H	α-helix	trans	-65.5	-40.7	173.5	-78.3	178.8	-20.6	0	0	111.4	M1 Q2 K8 K9	M1-Q5 PolarHBondContact O-N 3.37Å; Q2-Q5 PolarHBondContact O-N 2.93Å; Q5-K8 PolarHBondContact O-N 3.23Å; Q5-K9 WeakPolarHBondContact O-CB 3.25Å; Q5-K9 PolarHBondContact O-N 3.17Å
6	A	71.1	Confident	62.9	Low	62 Å²	62	119.7 Å²	119.7	51%	0.512	58%	0.584	S	S	.	*	H	α-helix	trans	-65.1	-42.8	175.5	0	0	0	0	0	112	Q2 R3 K9 A10	Q2-A6 WeakPolarHBondContact O-CB 3.49Å; Q2-A6 PolarHBondContact O-N 3.4Å; R3-A6 PolarHBondContact O-N 2.86Å; A6-K9 PolarHBondContact O-N 2.85Å; A6-A10 WeakPolarHBondContact O-CB 3.41Å; A6-A10 PolarHBondContact O-N 3.08Å
7	L	63.8	Low	62.6	Low	104 Å²	104	119.4 Å²	119.4	55%	0.545	59%	0.586	S	S	.	*	H	α-helix	trans	-62.9	-47.7	174.4	-79.3	163.2	0	0	0	111.7	R3 D4 K9 A10 D11	R3-L7 WeakPolarHBondContact O-CB 3.45Å; R3-L7 WeakPolarHBondContact O-CG 3.42Å; R3-L7 PolarHBondContact O-N 2.83Å; D4-L7 PolarHBondContact O-N 2.72Å; L7-K9 VanDerWaalsContact C-N 3.26Å; L7-K9 PolarHBondContact O-N 2.81Å; L7-A10 PolarHBondContact O-N 2.96Å; L7-D11 WeakPolarHBondContact O-CB 3.33Å; L7-D11 PolarHBondContact O-N 3.06Å
8	K	69.3	Low	61.7	Low	157 Å²	157	116.6 Å²	116.6	68%	0.683	57%	0.573	S	S	*	*	H	α-helix	trans	-59.1	-37.3	175.4	-76	176.8	-179.1	-175	0	112.5	D4 Q5 S12	D4-K8 WeakPolarHBondContact O-CB 3.41Å; D4-K8 VanDerWaalsContact O-CG 3.23Å; D4-K8 WeakPolarHBondContact O-CG 3.49Å; D4-K8 PolarHBondContact O-N 3.47Å; Q5-K8 PolarHBondContact O-N 3.23Å; K8-S12 VanDerWaalsContact O-CB 3.22Å; K8-S12 WeakPolarHBondContact O-CB 3.43Å; K8-S12 PolarHBondContact O-N 2.84Å
9	K	70	Confident	61.1	Low	136 Å²	136	113.1 Å²	113.1	59%	0.591	56%	0.557	S	S	*	*	H	α-helix	trans	-69.2	-45.6	176.5	-170.3	179	177.1	-172.9	0	111.5	Q5 A6 L7 D11 S12 E13	Q5-K9 WeakPolarHBondContact O-CB 3.25Å; Q5-K9 PolarHBondContact O-N 3.17Å; A6-K9 PolarHBondContact O-N 2.85Å; L7-K9 VanDerWaalsContact C-N 3.26Å; L7-K9 PolarHBondContact O-N 2.81Å; K9-D11 PolarHBondContact O-N 3.42Å; K9-S12 WeakPolarHBondContact O-CB 3.1Å; K9-S12 PolarHBondContact O-N 3.41Å; K9-E13 VanDerWaalsContact CE-OE1 3.23Å; K9-E13 WeakPolarHBondContact CE-OE1 3.47Å; K9-E13 WeakPolarHBondContact O-CG 3.38Å; K9-E13 PolarHBondContact O-N 2.81Å
10	A	66.1	Low	60.5	Low	49 Å²	49	110.3 Å²	110.3	41%	0.405	56%	0.559	S	S	.	*	H	α-helix	trans	-62.3	-41.8	176.2	0	0	0	0	0	111.9	A6 L7 E13 R14	A6-A10 WeakPolarHBondContact O-CB 3.41Å; A6-A10 PolarHBondContact O-N 3.08Å; L7-A10 PolarHBondContact O-N 2.96Å; A10-E13 PolarHBondContact O-N 3.25Å; A10-R14 WeakPolarHBondContact O-CB 3.27Å; A10-R14 PolarHBondContact O-N 3.09Å
11	D	63.3	Low	59.9	Low	84 Å²	84	108 Å²	108	45%	0.449	55%	0.552	S	S	.	*	H	α-helix	trans	-66.3	-40.2	175.3	-75.1	-20.4	0	0	0	111.8	L7 K9 R14 I15	L7-D11 WeakPolarHBondContact O-CB 3.33Å; L7-D11 PolarHBondContact O-N 3.06Å; K9-D11 PolarHBondContact O-N 3.42Å; D11-R14 PolarHBondContact O-N 3.15Å; D11-I15 WeakPolarHBondContact O-CB 3.45Å; D11-I15 WeakPolarHBondContact O-CD1 2.96Å; D11-I15 WeakPolarHBondContact O-CG1 2.92Å; D11-I15 PolarHBondContact O-N 3.15Å
12	S	61.5	Low	59.2	Low	72 Å²	72	101.3 Å²	101.3	50%	0.503	52%	0.519	S	S	.	.	H	α-helix	trans	-57.4	-49.2	172.8	152.8	0	0	0	0	111.9	K8 K9 R14 I15 H16	K8-S12 VanDerWaalsContact O-CB 3.22Å; K8-S12 WeakPolarHBondContact O-CB 3.43Å; K8-S12 PolarHBondContact O-N 2.84Å; K9-S12 WeakPolarHBondContact O-CB 3.1Å; K9-S12 PolarHBondContact O-N 3.41Å; S12-R14 VanDerWaalsContact C-N 3.35Å; S12-I15 PolarHBondContact O-N 3.09Å; S12-H16 WeakPolarHBondContact O-CB 3.36Å; S12-H16 PolarHBondContact O-N 2.78Å
13	E	61.7	Low	58.4	Low	104 Å²	104	96.8 Å²	96.8	49%	0.486	50%	0.504	S	S	.	.	H	α-helix	trans	-62.9	-42	177.8	-72.7	169.9	-175.5	0	0	111	K9 A10 H16 D17	K9-E13 VanDerWaalsContact CE-OE1 3.23Å; K9-E13 WeakPolarHBondContact CE-OE1 3.47Å; K9-E13 WeakPolarHBondContact O-CG 3.38Å; K9-E13 PolarHBondContact O-N 2.81Å; A10-E13 PolarHBondContact O-N 3.25Å; E13-H16 WeakPolarHBondContact O-CB 3.41Å; E13-H16 PolarHBondContact O-N 3.32Å; E13-D17 PolarHBondContact O-N 3.48Å
14	R	62	Low	57.9	Low	145 Å²	145	90.6 Å²	90.6	55%	0.547	49%	0.494	S	S	.	.	H	α-helix	trans	-67.1	-38.7	178.3	-149.1	177	-160.6	174.5	3.5	112.9	A10 D11 S12 D17 L18	A10-R14 WeakPolarHBondContact O-CB 3.27Å; A10-R14 PolarHBondContact O-N 3.09Å; D11-R14 PolarHBondContact O-N 3.15Å; S12-R14 VanDerWaalsContact C-N 3.35Å; R14-D17 PolarHBondContact O-N 2.94Å; R14-L18 WeakPolarHBondContact O-CB 3.14Å; R14-L18 PolarHBondContact O-N 2.94Å
15	I	54.7	Low	57.3	Low	97 Å²	97	92.5 Å²	92.5	50%	0.497	50%	0.498	S	S	.	.	H	α-helix	trans	-65.6	-42.5	173.1	-71.2	165.1	0	0	0	109.6	D11 S12 D17 L18 I19	D11-I15 WeakPolarHBondContact O-CB 3.45Å; D11-I15 WeakPolarHBondContact O-CD1 2.96Å; D11-I15 WeakPolarHBondContact O-CG1 2.92Å; D11-I15 PolarHBondContact O-N 3.15Å; S12-I15 PolarHBondContact O-N 3.09Å; I15-D17 PolarHBondContact O-N 3.36Å; I15-L18 WeakPolarHBondContact O-CB 3.37Å; I15-L18 PolarHBondContact O-N 2.85Å; I15-I19 HydrophobicContact CG2-CD1 3.59Å; I15-I19 HydrophobicContact CG2-CG1 4.19Å; I15-I19 WeakPolarHBondContact O-CB 3.46Å; I15-I19 WeakPolarHBondContact O-CG1 3.22Å; I15-I19 PolarHBondContact O-N 3.2Å
16	H	55.6	Low	56.2	Low	131 Å²	131	91.1 Å²	91.1	61%	0.606	49%	0.494	S	S	*	.	H	α-helix	trans	-61.1	-42.3	176.4	-176.5	-83.5	0	0	0	111.9	S12 E13 L18 I19 G20	S12-H16 WeakPolarHBondContact O-CB 3.36Å; S12-H16 PolarHBondContact O-N 2.78Å; E13-H16 WeakPolarHBondContact O-CB 3.41Å; E13-H16 PolarHBondContact O-N 3.32Å; H16-L18 VanDerWaalsContact C-N 3.35Å; H16-L18 PolarHBondContact O-N 3.32Å; H16-I19 PolarHBondContact O-N 3.34Å; H16-G20 PolarHBondContact O-N 2.9Å
17	D	58	Low	55.1	Low	114 Å²	114	91.3 Å²	91.3	61%	0.61	48%	0.484	S	S	*	.	H	α-helix	trans	-66.7	-35	174.8	-73.8	-12.3	0	0	0	112.7	E13 R14 I15 S21	E13-D17 PolarHBondContact O-N 3.48Å; R14-D17 PolarHBondContact O-N 2.94Å; I15-D17 PolarHBondContact O-N 3.36Å; D17-S21 WeakPolarHBondContact O-CB 3.24Å; D17-S21 PolarHBondContact O-N 2.88Å; D17-S21 VanDerWaalsContact O-N 3.15Å; D17-S21 PolarHBondContact O-OG 3.48Å
18	L	46.1	Very low	54	Low	69 Å²	69	88.2 Å²	88.2	36%	0.361	47%	0.47	S	S	.	.	H	α-helix	trans	-64.6	-43.1	171.6	-100.8	146.6	0	0	0	111.6	R14 I15 H16 S21 F22 Y160	R14-L18 WeakPolarHBondContact O-CB 3.14Å; R14-L18 PolarHBondContact O-N 2.94Å; I15-L18 WeakPolarHBondContact O-CB 3.37Å; I15-L18 PolarHBondContact O-N 2.85Å; H16-L18 VanDerWaalsContact C-N 3.35Å; H16-L18 PolarHBondContact O-N 3.32Å; L18-S21 PolarHBondContact O-OG 3.25Å; L18-F22 WeakPolarHBondContact O-CD2 3.44Å; L18-F22 WeakPolarHBondContact O-CE2 3.5Å; L18-Y160 HydrophobicContact CD2-CE1 4.35Å; L18-Y160 VanDerWaalsContact CD2-OH 3.28Å; L18-Y160 WeakPolarHBondContact CD2-OH 3.14Å
19	I	49.7	Very low	52.9	Low	51 Å²	51	85.7 Å²	85.7	26%	0.262	46%	0.461	S	S	.	.	H	α-helix	trans	-68.1	-41	177.8	-66	171.4	0	0	0	110.9	I15 H16 S21 F22 P28 E29	I15-I19 HydrophobicContact CG2-CD1 3.59Å; I15-I19 HydrophobicContact CG2-CG1 4.19Å; I15-I19 WeakPolarHBondContact O-CB 3.46Å; I15-I19 WeakPolarHBondContact O-CG1 3.22Å; I15-I19 PolarHBondContact O-N 3.2Å; H16-I19 PolarHBondContact O-N 3.34Å; I19-S21 VanDerWaalsContact C-N 3.3Å; I19-S21 PolarHBondContact O-N 3.48Å; I19-F22 WeakPolarHBondContact O-CB 3.28Å; I19-F22 WeakPolarHBondContact O-CD2 3.49Å; I19-F22 PolarHBondContact O-N 2.75Å; I19-P28 HydrophobicContact CG1-CG 4.25Å; I19-P28 HydrophobicContact CG2-CG 4.13Å; I19-E29 VanDerWaalsContact CG2-OE1 3.27Å; I19-E29 WeakPolarHBondContact CG2-OE1 3.21Å
20	G	48.9	Very low	51.9	Low	57 Å²	57	81.4 Å²	81.4	59%	0.588	45%	0.446	S	S	*	.	H	α-helix	trans	-68.2	-25.3	179	0	0	0	0	0	114.3	H16 F22	H16-G20 PolarHBondContact O-N 2.9Å; G20-F22 VanDerWaalsContact C-N 3.34Å
21	S	49.4	Very low	51.1	Low	61 Å²	61	82.8 Å²	82.8	43%	0.427	45%	0.446	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89	6.2	177.6	58.1	0	0	0	0	114.4	D17 L18 I19	D17-S21 WeakPolarHBondContact O-CB 3.24Å; D17-S21 PolarHBondContact O-N 2.88Å; D17-S21 VanDerWaalsContact O-N 3.15Å; D17-S21 PolarHBondContact O-OG 3.48Å; L18-S21 PolarHBondContact O-OG 3.25Å; I19-S21 VanDerWaalsContact C-N 3.3Å; I19-S21 PolarHBondContact O-N 3.48Å
22	F	40.1	Very low	50.3	Low	34 Å²	34	83.3 Å²	83.3	15%	0.149	45%	0.449	C	S	.	.	S	Bend	trans	-65.7	134.5	175.3	-90	-95	0	0	0	111	L18 I19 G20 S24 L26 Q27 P28 W156	L18-F22 WeakPolarHBondContact O-CD2 3.44Å; L18-F22 WeakPolarHBondContact O-CE2 3.5Å; I19-F22 WeakPolarHBondContact O-CB 3.28Å; I19-F22 WeakPolarHBondContact O-CD2 3.49Å; I19-F22 PolarHBondContact O-N 2.75Å; G20-F22 VanDerWaalsContact C-N 3.34Å; F22-S24 PolarHBondContact O-N 2.7Å; F22-L26 HydrophobicContact CD1-CB 3.67Å; F22-L26 WeakPolarHBondContact CD1-O 3.36Å; F22-L26 HydrophobicContact CE1-CB 4.26Å; F22-L26 WeakPolarHBondContact CE1-O 3.32Å; F22-Q27 HydrophobicContact CB-CG 3.8Å; F22-P28 HydrophobicContact CD2-CG 4.15Å; F22-P28 HydrophobicContact CE2-CG 3.92Å; F22-P28 HydrophobicContact CZ-CG 4.11Å; F22-W156 HydrophobicContact CE1-CZ3 4.38Å; F22-W156 HydrophobicContact CZ-CZ3 4.22Å
23	P	45.3	Very low	49.6	Very low	75 Å²	75	82.9 Å²	82.9	49%	0.487	45%	0.446	S	S	.	.			trans	-50.1	135	161.4	-20.1	30.3	0	0	0	107.7	K25 L26 Q27	P23-K25 PolarHBondContact O-N 3.4Å; P23-L26 HydrophobicContact CG-CD1 4.38Å; P23-L26 PolarHBondContact O-N 3.14Å; P23-Q27 PolarHBondContact O-N 3.15Å
24	S	48.7	Very low	49	Very low	86 Å²	86	81.7 Å²	81.7	60%	0.601	44%	0.443	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.8	-13.6	179.9	48.3	0	0	0	0	114.4	F22	F22-S24 PolarHBondContact O-N 2.7Å
25	K	47.7	Very low	48.1	Very low	127 Å²	127	78.7 Å²	78.7	55%	0.552	44%	0.436	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.9	-7.8	173.9	-63.8	-178.2	-176.6	177.1	0	115.3	P23 I117	P23-K25 PolarHBondContact O-N 3.4Å; K25-I117 HydrophobicContact CD-CD1 4.09Å; K25-I117 VanDerWaalsContact NZ-CD1 3.27Å
26	L	48	Very low	47.6	Very low	99 Å²	99	77.5 Å²	77.5	52%	0.518	43%	0.43	S	S	.	.	T	Hydrogen-bonded Turn	trans	-132	6.5	-175.8	-69.5	173.3	0	0	0	112.7	F22 P23	F22-L26 HydrophobicContact CD1-CB 3.67Å; F22-L26 WeakPolarHBondContact CD1-O 3.36Å; F22-L26 HydrophobicContact CE1-CB 4.26Å; F22-L26 WeakPolarHBondContact CE1-O 3.32Å; P23-L26 HydrophobicContact CG-CD1 4.38Å; P23-L26 PolarHBondContact O-N 3.14Å
27	Q	46.9	Very low	47.2	Very low	65 Å²	65	77.6 Å²	77.6	30%	0.304	43%	0.431	S	S	.	.			trans	-54.2	125.6	179.1	-97.1	-175.3	-24.9	0	0	111.3	F22 P23 E29 V30 L31	F22-Q27 HydrophobicContact CB-CG 3.8Å; P23-Q27 PolarHBondContact O-N 3.15Å; Q27-E29 WeakPolarHBondContact CB-OE2 3.4Å; Q27-E29 PolarHBondContact O-N 2.79Å; Q27-E29 VanDerWaalsContact O-N 3.11Å; Q27-V30 HydrophobicContact CB-CG2 3.97Å; Q27-V30 WeakPolarHBondContact O-CB 3.42Å; Q27-V30 PolarHBondContact O-N 3.48Å; Q27-L31 PolarHBondContact O-N 3.03Å
28	P	41.3	Very low	46.3	Very low	39 Å²	39	76.2 Å²	76.2	25%	0.253	42%	0.424	S	S	.	.	H	α-helix	trans	-52.9	-31.5	178.4	-27.7	35	0	0	0	112.9	I19 F22 V30 L31 L32	I19-P28 HydrophobicContact CG1-CG 4.25Å; I19-P28 HydrophobicContact CG2-CG 4.13Å; F22-P28 HydrophobicContact CD2-CG 4.15Å; F22-P28 HydrophobicContact CE2-CG 3.92Å; F22-P28 HydrophobicContact CZ-CG 4.11Å; P28-V30 VanDerWaalsContact C-N 3.27Å; P28-V30 PolarHBondContact O-N 3.4Å; P28-L31 CarbonylContact O-C 3.6Å; P28-L31 PolarHBondContact O-N 2.87Å; P28-L31 VanDerWaalsContact O-N 3.16Å; P28-L32 WeakPolarHBondContact O-CB 3.31Å; P28-L32 PolarHBondContact O-N 2.91Å
29	E	46.8	Very low	45.9	Very low	105 Å²	105	81.7 Å²	81.7	49%	0.491	44%	0.439	S	S	.	.	H	α-helix	trans	-61.5	-34.8	176.5	-58.9	85.5	-176.2	0	0	112.4	I19 Q27 L31 L32	I19-E29 VanDerWaalsContact CG2-OE1 3.27Å; I19-E29 WeakPolarHBondContact CG2-OE1 3.21Å; Q27-E29 WeakPolarHBondContact CB-OE2 3.4Å; Q27-E29 PolarHBondContact O-N 2.79Å; Q27-E29 VanDerWaalsContact O-N 3.11Å; E29-L31 VanDerWaalsContact C-N 3.34Å; E29-L32 PolarHBondContact O-N 2.86Å
30	V	48.4	Very low	45.8	Very low	46 Å²	46	86 Å²	86	28%	0.279	46%	0.463	S	S	.	.	H	α-helix	trans	-72	-31.3	178.4	-176.4	0	0	0	0	111	Q27 P28 T131	Q27-V30 HydrophobicContact CB-CG2 3.97Å; Q27-V30 WeakPolarHBondContact O-CB 3.42Å; Q27-V30 PolarHBondContact O-N 3.48Å; P28-V30 VanDerWaalsContact C-N 3.27Å; P28-V30 PolarHBondContact O-N 3.4Å; V30-T131 VanDerWaalsContact CG1-O 3.24Å; V30-T131 WeakPolarHBondContact CG1-O 3.49Å
31	L	48.2	Very low	45.7	Very low	77 Å²	77	92.1 Å²	92.1	40%	0.403	47%	0.473	S	S	.	.	H	α-helix	trans	-86.3	-21.5	176	-74.8	164.2	0	0	0	112.7	Q27 P28 E29 S33 N34 M35	Q27-L31 PolarHBondContact O-N 3.03Å; P28-L31 CarbonylContact O-C 3.6Å; P28-L31 PolarHBondContact O-N 2.87Å; P28-L31 VanDerWaalsContact O-N 3.16Å; E29-L31 VanDerWaalsContact C-N 3.34Å; L31-S33 PolarHBondContact O-N 3.13Å; L31-N34 PolarHBondContact O-N 2.92Å; L31-M35 HydrophobicContact CB-CG 4.32Å; L31-M35 VanDerWaalsContact O-CB 3.31Å; L31-M35 WeakPolarHBondContact O-CB 3.38Å; L31-M35 WeakPolarHBondContact O-CG 3.34Å; L31-M35 PolarHBondContact O-N 3.46Å
32	L	47.7	Very low	45.2	Very low	95 Å²	95	94.6 Å²	94.6	50%	0.497	48%	0.481	S	S	.	.	H	α-helix	trans	-62.9	-37.8	-169.9	-146	72.9	0	0	0	113.4	P28 E29 N34 M35 N36	P28-L32 WeakPolarHBondContact O-CB 3.31Å; P28-L32 PolarHBondContact O-N 2.91Å; E29-L32 PolarHBondContact O-N 2.86Å; L32-N34 VanDerWaalsContact C-N 3.35Å; L32-N34 PolarHBondContact O-N 2.94Å; L32-M35 PolarHBondContact O-N 2.94Å; L32-N36 WeakPolarHBondContact O-CB 3.42Å; L32-N36 PolarHBondContact O-N 3.22Å; L32-N36 PolarHBondContact O-ND2 3.06Å
33	S	47.3	Very low	44.9	Very low	63 Å²	63	101.6 Å²	101.6	44%	0.441	52%	0.519	S	S	.	.	H	α-helix	trans	-67.6	-38.3	-180	89	0	0	0	0	111.6	L31 Q37	L31-S33 PolarHBondContact O-N 3.13Å; S33-Q37 PolarHBondContact O-N 3.16Å
34	N	48.6	Very low	44.4	Very low	79 Å²	79	101.9 Å²	101.9	42%	0.422	53%	0.528	S	S	.	.	H	α-helix	trans	-78	-31.1	176.9	-73.4	-18.9	0	0	0	111.7	L31 L32 Q37 L38	L31-N34 PolarHBondContact O-N 2.92Å; L32-N34 VanDerWaalsContact C-N 3.35Å; L32-N34 PolarHBondContact O-N 2.94Å; N34-Q37 PolarHBondContact O-N 3.5Å; N34-L38 WeakPolarHBondContact O-CB 3.01Å; N34-L38 WeakPolarHBondContact O-CG 3.34Å; N34-L38 PolarHBondContact O-N 3.36Å
35	M	42.5	Very low	43.5	Very low	82 Å²	82	103 Å²	103	40%	0.404	53%	0.53	S	S	.	.	H	α-helix	trans	-70.6	-36.4	176.3	-75.8	-90.5	44.7	0	0	112.5	L31 L32 L38 R39	L31-M35 HydrophobicContact CB-CG 4.32Å; L31-M35 VanDerWaalsContact O-CB 3.31Å; L31-M35 WeakPolarHBondContact O-CB 3.38Å; L31-M35 WeakPolarHBondContact O-CG 3.34Å; L31-M35 PolarHBondContact O-N 3.46Å; L32-M35 PolarHBondContact O-N 2.94Å; M35-L38 HydrophobicContact CE-CB 4.01Å; M35-L38 HydrophobicContact CE-CD1 4.03Å; M35-L38 PolarHBondContact O-N 2.92Å; M35-R39 WeakPolarHBondContact O-CB 3.27Å; M35-R39 WeakPolarHBondContact O-CG 3.47Å; M35-R39 PolarHBondContact O-N 3.35Å
36	N	44.6	Very low	42.8	Very low	72 Å²	72	103 Å²	103	39%	0.385	54%	0.543	S	S	.	.	H	α-helix	trans	-69.6	-36.6	173.4	-73.8	-20.9	0	0	0	111.9	L32 L38 R39 N40	L32-N36 WeakPolarHBondContact O-CB 3.42Å; L32-N36 PolarHBondContact O-N 3.22Å; L32-N36 PolarHBondContact O-ND2 3.06Å; N36-L38 VanDerWaalsContact C-N 3.33Å; N36-L38 PolarHBondContact O-N 2.85Å; N36-R39 PolarHBondContact O-N 3.42Å; N36-N40 WeakPolarHBondContact O-CB 3.45Å; N36-N40 VanDerWaalsContact O-CG 3.28Å; N36-N40 PolarHBondContact O-N 3.42Å
37	Q	46.1	Very low	41.8	Very low	133 Å²	133	102.4 Å²	102.4	62%	0.621	56%	0.561	S	S	*	*	H	α-helix	trans	-65.2	-35.4	171.3	-75.9	-172.3	-0.7	0	0	112.8	S33 N34 K41	S33-Q37 PolarHBondContact O-N 3.16Å; N34-Q37 PolarHBondContact O-N 3.5Å; Q37-K41 PolarHBondContact O-N 3.26Å
38	L	40.4	Very low	41	Very low	86 Å²	86	102.6 Å²	102.6	45%	0.45	57%	0.57	S	S	.	*	H	α-helix	trans	-72.5	-38.6	174.5	-78.1	164.6	0	0	0	112.4	N34 M35 N36 K41 I42	N34-L38 WeakPolarHBondContact O-CB 3.01Å; N34-L38 WeakPolarHBondContact O-CG 3.34Å; N34-L38 PolarHBondContact O-N 3.36Å; M35-L38 HydrophobicContact CE-CB 4.01Å; M35-L38 HydrophobicContact CE-CD1 4.03Å; M35-L38 PolarHBondContact O-N 2.92Å; N36-L38 VanDerWaalsContact C-N 3.33Å; N36-L38 PolarHBondContact O-N 2.85Å; L38-K41 PolarHBondContact O-N 3.49Å; L38-I42 PolarHBondContact O-N 2.83Å
39	R	38	Very low	40.3	Very low	183 Å²	183	103.9 Å²	103.9	69%	0.691	59%	0.59	S	S	*	*	H	α-helix	trans	-65.6	-36.9	174.1	-82.3	-176.3	-176.2	179.7	1.9	112.5	M35 N36	M35-R39 WeakPolarHBondContact O-CB 3.27Å; M35-R39 WeakPolarHBondContact O-CG 3.47Å; M35-R39 PolarHBondContact O-N 3.35Å; N36-R39 PolarHBondContact O-N 3.42Å
40	N	46.5	Very low	39.4	Very low	141 Å²	141	108.6 Å²	108.6	75%	0.754	61%	0.61	S	S	*	*	H	α-helix	trans	-77	-20	-179.8	-72.2	-10.5	0	0	0	113.6	N36	N36-N40 WeakPolarHBondContact O-CB 3.45Å; N36-N40 VanDerWaalsContact O-CG 3.28Å; N36-N40 PolarHBondContact O-N 3.42Å
41	K	47.4	Very low	38.5	Very low	187 Å²	187	113 Å²	113	81%	0.813	64%	0.636	S	S	*	*	H	α-helix	trans	-89.4	-11.8	175.9	-81.2	-174.1	174.9	-177.9	0	114	Q37 L38	Q37-K41 PolarHBondContact O-N 3.26Å; L38-K41 PolarHBondContact O-N 3.49Å
42	I	38.4	Very low	37.7	Very low	113 Å²	113	113.5 Å²	113.5	58%	0.579	65%	0.646	S	S	*	*	S	Bend	trans	-132.2	100.5	-177.2	-54.1	176.1	0	0	0	107.4	L38 A44	L38-I42 PolarHBondContact O-N 2.83Å; I42-A44 PolarHBondContact O-N 3.23Å
43	L	33.1	Very low	36.8	Very low	180 Å²	180	114.4 Å²	114.4	94%	0.942	66%	0.656	S	S	*	*			trans	-61.4	85.8	167	-87.4	151.3	0	0	0	108.5	V45	L43-V45 PolarHBondContact O-N 3.37Å
44	A	36.2	Very low	35.9	Very low	82 Å²	82	121.8 Å²	121.8	68%	0.678	68%	0.675	S	S	*	*			trans	-80.2	110.4	166.3	0	0	0	0	0	107.6	I42	I42-A44 PolarHBondContact O-N 3.23Å
45	V	30.1	Very low	35.1	Very low	109 Å²	109	124.7 Å²	124.7	66%	0.661	70%	0.696	S	S	*	*			trans	-54.9	128.5	169.5	-178.8	0	0	0	0	108.5	L43 G47	L43-V45 PolarHBondContact O-N 3.37Å; V45-G47 PolarHBondContact O-N 2.81Å
46	P	31.7	Very low	34.6	Very low	127 Å²	127	126.6 Å²	126.6	83%	0.825	71%	0.712	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.5	123.2	173.8	-9	24.3	0	0	0	109.8
47	G	28	Very low	33.8	Very low	87 Å²	87	129.5 Å²	129.5	90%	0.897	73%	0.732	S	S	*	*	T	Hydrogen-bonded Turn	trans	100.4	4.7	157.2	0	0	0	0	0	119	V45	V45-G47 PolarHBondContact O-N 2.81Å
48	S	30.2	Very low	33.1	Very low	69 Å²	69	130.4 Å²	130.4	48%	0.483	74%	0.74	S	S	.	*			trans	-111.3	106.5	175.3	59.4	0	0	0	0	112
49	G	26.1	Very low	32.5	Very low	66 Å²	66	134.7 Å²	134.7	68%	0.68	76%	0.758	S	S	*	*			trans	-64.4	145.6	144.5	0	0	0	0	0	108.2
50	F	28.5	Very low	32.4	Very low	204 Å²	204	132 Å²	132	90%	0.895	76%	0.764	S	S	*	*			trans	93.5	162	-168.2	-60.5	-74.6	0	0	0	115.7
51	V	29.5	Very low	31.8	Very low	137 Å²	137	129.9 Å²	129.9	83%	0.83	76%	0.76	S	S	*	*			trans	97.7	124.3	-176.7	-172.3	0	0	0	0	111.7
52	S	30.2	Very low	31	Very low	88 Å²	88	127.8 Å²	127.8	62%	0.615	76%	0.758	S	S	*	*			cis	-171.1	149.9	-3.6	166.3	0	0	0	0	107.5
53	T	29.3	Very low	31	Very low	114 Å²	114	130.8 Å²	130.8	70%	0.699	77%	0.773	S	S	*	*			trans	-51.1	146.9	161.3	46.4	0	0	0	0	112.9
54	Y	29.1	Very low	31.1	Very low	218 Å²	218	129.5 Å²	129.5	86%	0.855	77%	0.767	S	S	*	*			trans	178	114.3	136.8	-86.9	-67.5	0	0	0	108.6
55	T	30.8	Very low	31	Very low	140 Å²	140	131.3 Å²	131.3	86%	0.859	77%	0.772	S	S	*	*				-167.3	141	125.5	-131.7	0	0	0	0	111.1
56	T	32.6	Very low	31.3	Very low	122 Å²	122	134 Å²	134	75%	0.748	78%	0.782	S	S	*	*			trans	-73.1	148.2	-166.6	15.8	0	0	0	0	114.7
57	V	27.8	Very low	31.4	Very low	133 Å²	133	136.3 Å²	136.3	81%	0.806	78%	0.781	S	S	*	*			trans	-74.9	125.1	167.8	175	0	0	0	0	109.1
58	I	31.9	Very low	31.7	Very low	152 Å²	152	140.2 Å²	140.2	78%	0.779	78%	0.781	S	S	*	*			trans	-131.4	119.5	160.2	-60.2	177.9	0	0	0	106.1
59	Q	27.9	Very low	32	Very low	177 Å²	177	145 Å²	145	83%	0.827	80%	0.796	S	S	*	*			trans	-89.3	143.3	168.5	-73.3	-170.3	-27.2	0	0	109.6
60	P	36.1	Very low	32.4	Very low	126 Å²	126	148.4 Å²	148.4	82%	0.818	80%	0.799	S	S	*	*			trans	-114.9	121.3	155.2	16.6	2.9	0	0	0	110.3
61	S	33.4	Very low	32.6	Very low	97 Å²	97	145 Å²	145	68%	0.678	80%	0.795	S	S	*	*			trans	-91	149.6	161.1	53.1	0	0	0	0	110.2
62	D	30.6	Very low	32.6	Very low	143 Å²	143	146.3 Å²	146.3	77%	0.765	79%	0.794	S	S	*	*			trans	69.8	110.5	158.4	-47.6	-36.1	0	0	0	118.6
63	I	38.2	Very low	32.6	Very low	175 Å²	175	146.6 Å²	146.6	90%	0.897	80%	0.796	S	S	*	*				-171.5	128.7	125	-85.3	145.5	0	0	0	108.5
64	N	36.1	Very low	32.6	Very low	153 Å²	153	151.4 Å²	151.4	82%	0.818	80%	0.803	S	S	*	*			trans	-68	158.3	-178	-80.7	-42.6	0	0	0	114.2
65	P	33.1	Very low	32.7	Very low	120 Å²	120	147.9 Å²	147.9	78%	0.779	80%	0.798	S	S	*	*			trans	-87.7	147.7	-178.5	36	-31.6	0	0	0	112
66	I	35.8	Very low	32.6	Very low	167 Å²	167	150.4 Å²	150.4	86%	0.856	80%	0.8	S	S	*	*			trans	-123.8	135.1	161.3	-67.7	176.6	0	0	0	107.8
67	E	34.6	Very low	32.7	Very low	174 Å²	174	152.2 Å²	152.2	81%	0.813	80%	0.799	S	S	*	*			trans	-58.7	139.8	-179.6	-59.5	162.3	160.3	0	0	112.1
68	D	34.4	Very low	32.8	Very low	169 Å²	169	152.8 Å²	152.8	90%	0.904	80%	0.796	S	S	*	*				-168.7	141	121.5	-107.4	-25.9	0	0	0	111.6
69	E	36.1	Very low	32.7	Very low	171 Å²	171	154.4 Å²	154.4	80%	0.799	80%	0.8	S	S	*	*			trans	-70.8	161.9	-175.5	-86.2	-167.4	143.5	0	0	114.3
70	D	35	Very low	32.8	Very low	136 Å²	136	154 Å²	154	73%	0.727	80%	0.796	S	S	*	*			trans	88.8	127	152.8	-72.3	-20.9	0	0	0	120.7
71	T	32.3	Very low	32.5	Very low	134 Å²	134	160 Å²	160	82%	0.822	80%	0.802	S	S	*	*			trans	75.1	89.2	163.2	10	0	0	0	0	116.5
72	M	29.6	Very low	32.4	Very low	164 Å²	164	167.2 Å²	167.2	81%	0.808	82%	0.815	S	S	*	*			trans	-170.9	102.1	134.7	-97.4	-93.5	31.9	0	0	111.3
73	S	29.2	Very low	32.5	Very low	93 Å²	93	164.1 Å²	164.1	65%	0.65	80%	0.804	S	S	*	*			trans	-71.1	137.1	163.3	35.8	0	0	0	0	110.3
74	Y	31	Very low	32.1	Very low	215 Å²	215	161.7 Å²	161.7	84%	0.843	80%	0.801	S	S	*	*			trans	110.9	126.8	173.2	-80.4	-100.7	0	0	0	115.6
75	L	29.5	Very low	31.8	Very low	144 Å²	144	158 Å²	158	75%	0.754	79%	0.792	S	S	*	*			trans	97.7	71.3	165.4	-53.7	173.2	0	0	0	117.5
76	E	30.3	Very low	31.8	Very low	193 Å²	193	158.4 Å²	158.4	90%	0.902	79%	0.793	S	S	*	*			trans	-84.9	106.7	147.1	-84	-170.4	151.6	0	0	109.8	I78	E76-I78 PolarHBondContact O-N 3.23Å
77	H	33.9	Very low	31.5	Very low	160 Å²	160	155 Å²	155	74%	0.741	78%	0.776	S	S	*	*			trans	-71.5	106.6	168.2	-87.3	-29.3	0	0	0	110.8	H79	H77-H79 PolarHBondContact O-N 3.48Å
78	I	29.5	Very low	31.4	Very low	145 Å²	145	154.1 Å²	154.1	74%	0.744	77%	0.772	S	S	*	*			trans	-64.5	99.7	166.5	-62.4	171.8	0	0	0	109.3	E76 K80	E76-I78 PolarHBondContact O-N 3.23Å; I78-K80 HydrophobicContact CG2-CB 3.89Å
79	H	30.2	Very low	31.2	Very low	186 Å²	186	150 Å²	150	86%	0.861	75%	0.749	S	S	*	*			trans	-95.9	68.4	156.4	-91.5	-84.6	0	0	0	109.8	H77	H77-H79 PolarHBondContact O-N 3.48Å
80	K	30.9	Very low	30.9	Very low	170 Å²	170	149.3 Å²	149.3	74%	0.739	75%	0.745	S	S	*	*			trans	-87.5	115.8	163.5	-103.5	178.4	177.3	174.4	0	109.2	I78 R82	I78-K80 HydrophobicContact CG2-CB 3.89Å; K80-R82 PolarHBondContact O-N 3.34Å; K80-R82 VanDerWaalsContact O-N 3.1Å
81	R	29.6	Very low	30.7	Very low	251 Å²	251	150.8 Å²	150.8	95%	0.947	75%	0.745	S	S	*	*			trans	-47.5	114.1	164.5	-82.2	178.7	172.2	171.8	-1.8	108.9	S83	R81-S83 PolarHBondContact O-N 2.9Å
82	R	30.9	Very low	30.5	Very low	248 Å²	248	151.9 Å²	151.9	94%	0.936	74%	0.739	S	S	*	*			trans	-75.8	102.2	171	-73.2	180	171.7	174.7	-2.7	108.3	K80	K80-R82 PolarHBondContact O-N 3.34Å; K80-R82 VanDerWaalsContact O-N 3.1Å
83	S	32.7	Very low	30.7	Very low	79 Å²	79	150.3 Å²	150.3	55%	0.552	74%	0.739	S	S	*	*			trans	-65.6	146.9	149.8	58.2	0	0	0	0	107.8	R81 A85	R81-S83 PolarHBondContact O-N 2.9Å; S83-A85 PolarHBondContact O-N 3.43Å
84	C	28.9	Very low	31	Very low	123 Å²	123	149 Å²	149	83%	0.831	73%	0.73	S	S	*	*			trans	-62.9	83.9	177.3	-84.5	0	0	0	0	110.4
85	A	30.3	Very low	31.5	Very low	76 Å²	76	148.7 Å²	148.7	63%	0.628	73%	0.733	S	S	*	*			trans	-81.1	129	165.6	0	0	0	0	0	108.6	S83 L87	S83-A85 PolarHBondContact O-N 3.43Å; A85-L87 PolarHBondContact O-N 3.23Å
86	T	32.8	Very low	32.4	Very low	129 Å²	129	148.5 Å²	148.5	79%	0.791	73%	0.726	S	S	*	*			trans	-39.8	108	170.1	-12.4	0	0	0	0	110.1	Q88	T86-Q88 VanDerWaalsContact C-N 3.31Å; T86-Q88 PolarHBondContact O-N 3.06Å
87	L	30.2	Very low	33.6	Very low	96 Å²	96	144.4 Å²	144.4	50%	0.503	72%	0.719	S	S	.	*			trans	-71.6	84.2	-180	-83.1	157.1	0	0	0	109.7	A85 I146	A85-L87 PolarHBondContact O-N 3.23Å; L87-I146 HydrophobicContact CD1-CG1 4.23Å; L87-I146 HydrophobicContact CD1-CG2 4.4Å; L87-I146 HydrophobicContact CD2-CG1 4.42Å
88	Q	32.6	Very low	35.4	Very low	155 Å²	155	143.5 Å²	143.5	72%	0.724	71%	0.713	S	S	*	*			trans	-76.3	122.2	163.1	-73.2	-159.8	-9.4	0	0	109.7	T86 H90	T86-Q88 VanDerWaalsContact C-N 3.31Å; T86-Q88 PolarHBondContact O-N 3.06Å; Q88-H90 PolarHBondContact O-N 3.32Å; Q88-H90 VanDerWaalsContact O-N 3.14Å
89	L	30	Very low	37.7	Very low	81 Å²	81	139.1 Å²	139.1	42%	0.424	69%	0.69	S	S	.	*			trans	-79.6	94.3	-177.9	-132.3	119.3	0	0	0	109.3	K91 C119 I146	L89-K91 PolarHBondContact O-N 3.45Å; L89-C119 HydrophobicContact CD2-CB 4.42Å; L89-I146 HydrophobicContact CD1-CD1 3.73Å
90	H	30.1	Very low	40.1	Very low	157 Å²	157	130.2 Å²	130.2	73%	0.727	65%	0.649	S	S	*	*			trans	-69.6	121	167.5	-98.9	-72	0	0	0	110.1	Q88 F92	Q88-H90 PolarHBondContact O-N 3.32Å; Q88-H90 VanDerWaalsContact O-N 3.14Å; H90-F92 PolarHBondContact O-N 2.99Å
91	K	30.5	Very low	42.1	Very low	167 Å²	167	124.6 Å²	124.6	73%	0.726	63%	0.63	S	S	*	*			trans	-64.4	93.6	169.7	-94.6	-180	175	173.8	0	109.3	L89 T93	L89-K91 PolarHBondContact O-N 3.45Å; K91-T93 PolarHBondContact O-N 3.34Å; K91-T93 VanDerWaalsContact O-N 3.13Å
92	F	28.9	Very low	44.4	Very low	157 Å²	157	114.8 Å²	114.8	69%	0.689	60%	0.598	S	S	*	*			trans	-65.6	106.1	161.9	-113.3	-90.5	0	0	0	109.2	H90 S94	H90-F92 PolarHBondContact O-N 2.99Å; F92-S94 PolarHBondContact O-N 3.49Å
93	T	33.6	Very low	46.9	Very low	132 Å²	132	106 Å²	106	81%	0.81	57%	0.574	S	S	*	*			trans	-90.6	88	166.8	52.5	0	0	0	0	108	K91	K91-T93 PolarHBondContact O-N 3.34Å; K91-T93 VanDerWaalsContact O-N 3.13Å
94	S	35.5	Very low	49	Very low	65 Å²	65	108 Å²	108	46%	0.455	58%	0.578	S	S	.	*			trans	-97.2	133.2	-178.9	-179	0	0	0	0	111.5	F92 F96	F92-S94 PolarHBondContact O-N 3.49Å; S94-F96 PolarHBondContact O-N 2.93Å; S94-F96 WeakPolarHBondContact OG-CD2 3.4Å; S94-F96 WeakPolarHBondContact OG-CE2 3.31Å
95	K	41.2	Very low	51.4	Low	209 Å²	209	107.1 Å²	107.1	91%	0.909	56%	0.561	S	S	*	*	S	Bend	trans	-68.9	8.8	-179.7	-76	-179	175.4	177.5	0	114.4	S97	K95-S97 PolarHBondContact O-N 3.4Å
96	F	47	Very low	53.6	Low	140 Å²	140	108.6 Å²	108.6	61%	0.614	56%	0.555	S	S	*	*			trans	-88.3	74.7	177.5	-57.6	-61	0	0	0	111.3	S94 K98 L99	S94-F96 PolarHBondContact O-N 2.93Å; S94-F96 WeakPolarHBondContact OG-CD2 3.4Å; S94-F96 WeakPolarHBondContact OG-CE2 3.31Å; F96-K98 PolarHBondContact O-N 3.33Å; F96-L99 HydrophobicContact CB-CB 4.36Å; F96-L99 HydrophobicContact CB-CD1 4.29Å; F96-L99 HydrophobicContact CD1-CD1 4.15Å; F96-L99 HydrophobicContact CG-CD1 4.38Å
97	S	56.4	Low	55.4	Low	106 Å²	106	104.2 Å²	104.2	74%	0.741	53%	0.525	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.7	-14.9	-179.2	58.8	0	0	0	0	114.5	K95	K95-S97 PolarHBondContact O-N 3.4Å
98	K	71.1	Confident	57.1	Low	142 Å²	142	103.8 Å²	103.8	62%	0.617	52%	0.524	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112.5	5.9	-175.2	-64	-172.2	179.7	-178.5	0	115.2	F96 Q106 F107	F96-K98 PolarHBondContact O-N 3.33Å; K98-Q106 WeakPolarHBondContact O-CA 3.44Å; K98-F107 VanDerWaalsContact C-CD2 3.46Å; K98-F107 WeakPolarHBondContact O-CD2 3.37Å; K98-F107 PolarHBondContact O-N 3.14Å
99	L	78.6	Confident	58.6	Low	52 Å²	52	103 Å²	103	27%	0.272	54%	0.535	S	S	.	.	B	Isolated β-bridge	trans	-125	143.1	-177	-63.3	160.4	0	0	0	110.8	F96 P101 L104 Q106 F107	F96-L99 HydrophobicContact CB-CB 4.36Å; F96-L99 HydrophobicContact CB-CD1 4.29Å; F96-L99 HydrophobicContact CD1-CD1 4.15Å; F96-L99 HydrophobicContact CG-CD1 4.38Å; L99-P101 WeakPolarHBondContact O-CD 3.44Å; L99-L104 VanDerWaalsContact CD2-O 3.25Å; L99-L104 WeakPolarHBondContact CD2-O 3.3Å; L99-Q106 HydrophobicContact CD2-CB 3.85Å; L99-Q106 HydrophobicContact CD2-CG 4.15Å; L99-F107 VanDerWaalsContact C-CE2 3.41Å; L99-F107 WeakPolarHBondContact O-CE2 3.5Å
100	C	80	Confident	60	Low	0 Å²	0	107.3 Å²	107.3	0%	0	56%	0.558	C	S	.	*			trans	-65	121.3	170.5	178.1	0	0	0	0	109.2	T102 L104 H105 F107 C124	C100-T102 PolarHBondContact O-N 3.32Å; C100-T102 VanDerWaalsContact O-N 3.09Å; C100-L104 WeakPolarHBondContact O-CA 3.48Å; C100-L104 PolarHBondContact O-N 3.27Å; C100-H105 HydrophobicContact CB-CB 4.43Å; C100-H105 PolarHBondContact N-O 3.46Å; C100-F107 HydrophobicContact CB-CE1 4.41Å; C100-F107 HydrophobicContact CB-CZ 4.02Å; C100-C124 HydrophobicContact CB-CB 4.21Å; C100-C124 PolarHBondContact SG-N 3.31Å; C100-C124 VanDerWaalsContact SG-N 3.42Å
101	P	73.5	Confident	61.6	Low	51 Å²	51	102.1 Å²	102.1	33%	0.331	54%	0.537	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-10.7	-174.6	21.7	-26.5	0	0	0	114.2	L99 R121 N122 V123	L99-P101 WeakPolarHBondContact O-CD 3.44Å; P101-R121 HydrophobicContact CG-CB 3.92Å; P101-R121 HydrophobicContact CG-CG 4.41Å; P101-N122 WeakPolarHBondContact CD-O 3.48Å; P101-V123 HydrophobicContact CG-CG1 4.35Å
102	T	77.1	Confident	63.4	Low	46 Å²	46	100.6 Å²	100.6	28%	0.282	53%	0.533	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.7	-42.9	-179.9	-54.8	0	0	0	0	112.9	C100 C127 K141	C100-T102 PolarHBondContact O-N 3.32Å; C100-T102 VanDerWaalsContact O-N 3.09Å; T102-C127 HydrophobicContact CG2-CB 4.4Å; T102-K141 HydrophobicContact CG2-CB 3.92Å; T102-K141 HydrophobicContact CG2-CD 4.07Å
103	C	83.5	Confident	65.8	Low	64 Å²	64	95.9 Å²	95.9	43%	0.432	52%	0.519	S	S	.	.	T	Hydrogen-bonded Turn	trans	-115.1	1	-178.2	66.2	0	0	0	0	114.1	H105 C124 C127	C103-H105 PolarHBondContact O-N 2.77Å; C103-H105 VanDerWaalsContact O-N 3.08Å; C103-H105 VanDerWaalsContact SG-CB 3.52Å; C103-C124 PolarHBondContact SG-SG 2.86Å; C103-C127 VanDerWaalsContact SG-SG 3.68Å
104	L	78.1	Confident	68.2	Low	121 Å²	121	91.5 Å²	91.5	63%	0.634	49%	0.488	S	S	*	.			trans	59.2	14.7	-177.4	-54.1	175.3	0	0	0	114.8	L99 C100	L99-L104 VanDerWaalsContact CD2-O 3.25Å; L99-L104 WeakPolarHBondContact CD2-O 3.3Å; C100-L104 WeakPolarHBondContact O-CA 3.48Å; C100-L104 PolarHBondContact O-N 3.27Å
105	H	77.9	Confident	70.6	Confident	103 Å²	103	96.3 Å²	96.3	48%	0.477	50%	0.496	S	S	.	.			trans	-68.1	133.9	176.3	-164.3	74.8	0	0	0	111.2	C100 C103	C100-H105 HydrophobicContact CB-CB 4.43Å; C100-H105 PolarHBondContact N-O 3.46Å; C103-H105 PolarHBondContact O-N 2.77Å; C103-H105 VanDerWaalsContact O-N 3.08Å; C103-H105 VanDerWaalsContact SG-CB 3.52Å
106	Q	76.1	Confident	72.6	Confident	108 Å²	108	86.4 Å²	86.4	51%	0.505	45%	0.453	S	S	.	.	B	Isolated β-bridge	trans	-72.9	134.9	-178.6	-165.2	167.8	-17.8	0	0	111.5	K98 L99 N108 T111	K98-Q106 WeakPolarHBondContact O-CA 3.44Å; L99-Q106 HydrophobicContact CD2-CB 3.85Å; L99-Q106 HydrophobicContact CD2-CG 4.15Å; Q106-N108 WeakPolarHBondContact CG-OD1 3.06Å; Q106-N108 PolarHBondContact O-N 3.36Å; Q106-N108 PolarHBondContact O-OD1 2.82Å; Q106-T111 PolarHBondContact O-OG1 2.95Å
107	F	72.1	Confident	74.4	Confident	36 Å²	36	83.1 Å²	83.1	16%	0.158	44%	0.441	C	S	.	.			trans	-76.3	114.3	168.2	-59.9	-59.4	0	0	0	107.8	K98 L99 C100 T111 N122 C124	K98-F107 VanDerWaalsContact C-CD2 3.46Å; K98-F107 WeakPolarHBondContact O-CD2 3.37Å; K98-F107 PolarHBondContact O-N 3.14Å; L99-F107 VanDerWaalsContact C-CE2 3.41Å; L99-F107 WeakPolarHBondContact O-CE2 3.5Å; C100-F107 HydrophobicContact CB-CE1 4.41Å; C100-F107 HydrophobicContact CB-CZ 4.02Å; F107-T111 WeakPolarHBondContact CA-OG1 3.48Å; F107-N122 HydrophobicContact CE2-CB 4.22Å; F107-N122 HydrophobicContact CZ-CB 4.14Å; F107-N122 WeakPolarHBondContact CZ-O 3.34Å; F107-C124 HydrophobicContact CE1-CB 4.3Å
108	N	66.2	Low	75.5	Confident	88 Å²	88	82.6 Å²	82.6	47%	0.471	43%	0.426	S	S	.	.			trans	-109.8	167.5	177.1	-60.3	4.3	0	0	0	107.3	Q106 L110 T111	Q106-N108 WeakPolarHBondContact CG-OD1 3.06Å; Q106-N108 PolarHBondContact O-N 3.36Å; Q106-N108 PolarHBondContact O-OD1 2.82Å; N108-L110 PolarHBondContact O-N 3.13Å; N108-T111 PolarHBondContact N-OG1 2.77Å; N108-T111 PolarHBondContact O-N 3.42Å; N108-T111 PolarHBondContact O-OG1 3.11Å
109	S	62.6	Low	76.1	Confident	139 Å²	139	76.8 Å²	76.8	97%	0.972	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.9	-15.3	178.5	-49	0	0	0	0	114.3
110	L	60.7	Low	76.4	Confident	171 Å²	171	78.5 Å²	78.5	90%	0.895	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.8	-10.2	178.9	-62.6	172	0	0	0	114	N108	N108-L110 PolarHBondContact O-N 3.13Å
111	T	62.9	Low	76.4	Confident	48 Å²	48	80.9 Å²	80.9	29%	0.294	42%	0.42	S	S	.	.	S	Bend	trans	-109.8	110.5	-175.6	51.2	0	0	0	0	111.3	Q106 F107 N108 S113	Q106-T111 PolarHBondContact O-OG1 2.95Å; F107-T111 WeakPolarHBondContact CA-OG1 3.48Å; N108-T111 PolarHBondContact N-OG1 2.77Å; N108-T111 PolarHBondContact O-N 3.42Å; N108-T111 PolarHBondContact O-OG1 3.11Å; T111-S113 PolarHBondContact O-N 3.37Å
112	E	69.1	Low	77	Confident	135 Å²	135	81.5 Å²	81.5	63%	0.631	42%	0.421	S	S	*	.			trans	-61.6	134	173.3	-73.9	-176.8	170	0	0	110.9	Y114	E112-Y114 HydrophobicContact CB-CE2 4.22Å; E112-Y114 PolarHBondContact OE2-OH 3.42Å
113	S	78.7	Confident	77.4	Confident	58 Å²	58	79.3 Å²	79.3	41%	0.406	41%	0.408	S	S	.	.			trans	-98.1	129.3	172.5	83.4	0	0	0	0	109.8	T111	T111-S113 PolarHBondContact O-N 3.37Å
114	Y	83	Confident	77.6	Confident	39 Å²	39	76.7 Å²	76.7	15%	0.153	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	127.1	177.9	-60	-79.8	0	0	0	110.8	E112 N122 V123 Q125 A128 I138	E112-Y114 HydrophobicContact CB-CE2 4.22Å; E112-Y114 PolarHBondContact OE2-OH 3.42Å; Y114-N122 CarbonylContact O-C 3.54Å; Y114-N122 WeakPolarHBondContact O-CA 3.5Å; Y114-V123 PolarHBondContact N-O 3.48Å; Y114-V123 WeakPolarHBondContact O-CG2 3.2Å; Y114-V123 PolarHBondContact O-N 3.26Å; Y114-Q125 HydrophobicContact CD2-CB 4.39Å; Y114-Q125 HydrophobicContact CE2-CB 3.71Å; Y114-Q125 HydrophobicContact CE2-CG 3.88Å; Y114-A128 HydrophobicContact CD2-CB 3.93Å; Y114-A128 HydrophobicContact CG-CB 4.09Å; Y114-I138 HydrophobicContact CD1-CD1 3.34Å; Y114-I138 HydrophobicContact CE1-CD1 4.27Å; Y114-I138 HydrophobicContact CG-CD1 3.86Å
115	R	86.1	Confident	77.8	Confident	166 Å²	166	77.3 Å²	77.3	63%	0.626	39%	0.39	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.6	118.8	-177.2	-165.6	170.9	-174.9	175.5	-2.2	111	I117 N122	R115-I117 PolarHBondContact O-N 3.05Å; R115-N122 WeakPolarHBondContact CB-OD1 3.46Å
116	C	85	Confident	78.1	Confident	1 Å²	1	79.4 Å²	79.4	1%	0.007	40%	0.404	C	S	.	.			trans	-64.8	125	175	175.7	0	0	0	0	110.6	K118 C119 I120 R121 I138 C140 C143	C116-K118 PolarHBondContact O-N 2.87Å; C116-C119 PolarHBondContact SG-SG 2.8Å; C116-I120 WeakPolarHBondContact O-CA 3.37Å; C116-I120 PolarHBondContact O-N 3.49Å; C116-R121 WeakPolarHBondContact CB-O 3.48Å; C116-R121 PolarHBondContact N-O 3.17Å; C116-I138 CarbonylContact C-O 3.42Å; C116-I138 WeakPolarHBondContact CA-O 3.48Å; C116-C140 HydrophobicContact CB-CB 4.02Å; C116-C140 PolarHBondContact SG-N 2.9Å; C116-C143 VanDerWaalsContact SG-SG 3.68Å
117	I	84.2	Confident	78.6	Confident	71 Å²	71	74.7 Å²	74.7	36%	0.364	38%	0.383	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-17.4	-177.5	-159	163.8	0	0	0	113.7	K25 R115 N137 I138 L139	K25-I117 HydrophobicContact CD-CD1 4.09Å; K25-I117 VanDerWaalsContact NZ-CD1 3.27Å; R115-I117 PolarHBondContact O-N 3.05Å; I117-N137 WeakPolarHBondContact CD1-OD1 3.28Å; I117-I138 PolarHBondContact N-O 3.1Å; I117-L139 HydrophobicContact CG2-CD2 3.73Å
118	K	79.8	Confident	79.2	Confident	96 Å²	96	74 Å²	74	42%	0.417	38%	0.384	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.7	-53.4	-177.3	-167.6	161	-175	173.9	0	113.1	C116 L139 C143	C116-K118 PolarHBondContact O-N 2.87Å; K118-L139 HydrophobicContact CB-CD2 3.84Å; K118-C143 HydrophobicContact CB-CB 4.18Å
119	C	83.5	Confident	80	Confident	20 Å²	20	73.2 Å²	73.2	14%	0.135	38%	0.375	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.8	-4.5	179.7	70.5	0	0	0	0	114.3	L89 C116 R121 C140	L89-C119 HydrophobicContact CD2-CB 4.42Å; C116-C119 PolarHBondContact SG-SG 2.8Å; C119-R121 HydrophobicContact CB-CG 4.36Å; C119-R121 PolarHBondContact O-N 2.82Å; C119-C140 PolarHBondContact SG-SG 3.4Å
120	I	83.8	Confident	80.8	Confident	87 Å²	87	71.7 Å²	71.7	45%	0.446	35%	0.351	S	S	.	.			trans	68.2	1.8	176.3	-47.5	-179.2	0	0	0	113.3	C116	C116-I120 WeakPolarHBondContact O-CA 3.37Å; C116-I120 PolarHBondContact O-N 3.49Å
121	R	81.5	Confident	81.1	Confident	50 Å²	50	65.7 Å²	65.7	19%	0.189	32%	0.321	C	S	.	.			trans	-74.3	141.8	177.3	-59.9	-177.1	-165.2	147	11.7	111.7	P101 C116 C119 E142	P101-R121 HydrophobicContact CG-CB 3.92Å; P101-R121 HydrophobicContact CG-CG 4.41Å; C116-R121 WeakPolarHBondContact CB-O 3.48Å; C116-R121 PolarHBondContact N-O 3.17Å; C119-R121 HydrophobicContact CB-CG 4.36Å; C119-R121 PolarHBondContact O-N 2.82Å; R121-E142 IonicContact CZ-OE2 3.86Å; R121-E142 IonicContact NH1-OE1 3.85Å; R121-E142 IonicContact NH1-OE2 2.75Å; R121-E142 PolarHBondContact NH1-OE2 2.82Å
122	N	85.4	Confident	81.1	Confident	65 Å²	65	64.1 Å²	64.1	35%	0.348	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	129.3	171.7	-71.2	-16.7	0	0	0	109.8	P101 F107 Y114 R115	P101-N122 WeakPolarHBondContact CD-O 3.48Å; F107-N122 HydrophobicContact CE2-CB 4.22Å; F107-N122 HydrophobicContact CZ-CB 4.14Å; F107-N122 WeakPolarHBondContact CZ-O 3.34Å; Y114-N122 CarbonylContact O-C 3.54Å; Y114-N122 WeakPolarHBondContact O-CA 3.5Å; R115-N122 WeakPolarHBondContact CB-OD1 3.46Å
123	V	85.5	Confident	80.5	Confident	0 Å²	0	65.9 Å²	65.9	0%	0	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	152.1	178.1	-72.1	0	0	0	0	110.8	P101 Y114 C127 A128 C140	P101-V123 HydrophobicContact CG-CG1 4.35Å; Y114-V123 PolarHBondContact N-O 3.48Å; Y114-V123 WeakPolarHBondContact O-CG2 3.2Å; Y114-V123 PolarHBondContact O-N 3.26Å; V123-C127 HydrophobicContact CB-CB 3.9Å; V123-C127 HydrophobicContact CG1-CB 4.25Å; V123-A128 HydrophobicContact CG2-CB 3.97Å; V123-C140 HydrophobicContact CG1-CB 3.54Å; V123-C140 HydrophobicContact CG2-CB 4.3Å
124	C	86.3	Confident	79.5	Confident	9 Å²	9	67 Å²	67	6%	0.061	33%	0.333	C	S	.	.			trans	-68.9	165.6	171.8	71.2	0	0	0	0	110.9	C100 C103 F107 N126 C127 A128	C100-C124 HydrophobicContact CB-CB 4.21Å; C100-C124 PolarHBondContact SG-N 3.31Å; C100-C124 VanDerWaalsContact SG-N 3.42Å; C103-C124 PolarHBondContact SG-SG 2.86Å; F107-C124 HydrophobicContact CE1-CB 4.3Å; C124-N126 PolarHBondContact O-N 3.38Å; C124-N126 VanDerWaalsContact O-N 3.15Å; C124-C127 CarbonylContact O-C 3.6Å; C124-C127 PolarHBondContact O-N 3.15Å; C124-A128 PolarHBondContact O-N 2.83Å; C124-A128 VanDerWaalsContact O-N 3.15Å
125	Q	84	Confident	78.4	Confident	134 Å²	134	69.8 Å²	69.8	63%	0.626	35%	0.35	S	S	*	.	G	3₁₀ helix	trans	-50.7	-39.6	178.6	-163.6	174	-1.5	0	0	113.5	Y114 C127 A128	Y114-Q125 HydrophobicContact CD2-CB 4.39Å; Y114-Q125 HydrophobicContact CE2-CB 3.71Å; Y114-Q125 HydrophobicContact CE2-CG 3.88Å; Q125-C127 VanDerWaalsContact C-N 3.27Å; Q125-C127 PolarHBondContact O-N 3.03Å; Q125-A128 PolarHBondContact O-N 3.23Å
126	N	84.1	Confident	77.5	Confident	147 Å²	147	65.5 Å²	65.5	79%	0.786	35%	0.346	S	S	*	.	G	3₁₀ helix	trans	-71.3	-19.3	-179.5	-67.3	-8.9	0	0	0	113.8	C124	C124-N126 PolarHBondContact O-N 3.38Å; C124-N126 VanDerWaalsContact O-N 3.15Å
127	C	86.5	Confident	77.2	Confident	8 Å²	8	66.7 Å²	66.7	5%	0.054	35%	0.352	C	S	.	.	G	3₁₀ helix	trans	-106.3	3.1	178.8	-69.6	0	0	0	0	112.7	T102 C103 V123 C124 Q125 C140 K141	T102-C127 HydrophobicContact CG2-CB 4.4Å; C103-C127 VanDerWaalsContact SG-SG 3.68Å; V123-C127 HydrophobicContact CB-CB 3.9Å; V123-C127 HydrophobicContact CG1-CB 4.25Å; C124-C127 CarbonylContact O-C 3.6Å; C124-C127 PolarHBondContact O-N 3.15Å; Q125-C127 VanDerWaalsContact C-N 3.27Å; Q125-C127 PolarHBondContact O-N 3.03Å; C127-C140 CarbonylContact O-C 3.57Å; C127-C140 WeakPolarHBondContact O-CA 3.36Å; C127-K141 PolarHBondContact O-N 3.23Å; C127-K141 VanDerWaalsContact O-N 3.09Å
128	A	85	Confident	77.1	Confident	21 Å²	21	64.2 Å²	64.2	17%	0.174	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	120.8	179.1	0	0	0	0	0	111	Y114 V123 C124 Q125 I138	Y114-A128 HydrophobicContact CD2-CB 3.93Å; Y114-A128 HydrophobicContact CG-CB 4.09Å; V123-A128 HydrophobicContact CG2-CB 3.97Å; C124-A128 PolarHBondContact O-N 2.83Å; C124-A128 VanDerWaalsContact O-N 3.15Å; Q125-A128 PolarHBondContact O-N 3.23Å; A128-I138 HydrophobicContact CB-CG2 3.69Å
129	Y	82.8	Confident	77.3	Confident	73 Å²	73	60.4 Å²	60.4	29%	0.286	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	119	174.2	-71.2	-96.5	0	0	0	109.8	I138 L139 K141 W144	Y129-I138 WeakPolarHBondContact O-CA 3.4Å; Y129-L139 PolarHBondContact N-O 3.24Å; Y129-L139 PolarHBondContact O-N 2.94Å; Y129-K141 HydrophobicContact CD2-CB 4.35Å; Y129-K141 HydrophobicContact CE2-CB 3.71Å; Y129-K141 HydrophobicContact CE2-CG 3.77Å; Y129-W144 AromaticContact CD1-CD1 3.98Å; Y129-W144 AromaticContact CD1-CD2 3.68Å; Y129-W144 HydrophobicContact CD1-CD2 3.68Å; Y129-W144 AromaticContact CD1-CE2 3.73Å; Y129-W144 HydrophobicContact CD1-CE3 4.17Å; Y129-W144 AromaticContact CD1-CG 3.84Å; Y129-W144 HydrophobicContact CD1-CG 3.84Å; Y129-W144 HydrophobicContact CD1-CZ2 4.23Å; Y129-W144 AromaticContact CD1-NE1 3.92Å; Y129-W144 HydrophobicContact CD2-CB 3.98Å; Y129-W144 HydrophobicContact CD2-CG 4.15Å; Y129-W144 AromaticContact CE1-CD2 3.97Å; Y129-W144 HydrophobicContact CE1-CD2 3.97Å; Y129-W144 AromaticContact CE1-CE3 3.97Å; Y129-W144 HydrophobicContact CE1-CE3 3.97Å; Y129-W144 HydrophobicContact CE1-CH2 4.29Å; Y129-W144 HydrophobicContact CE1-CZ2 4.35Å; Y129-W144 HydrophobicContact CE1-CZ3 4.13Å; Y129-W144 HydrophobicContact CG-CB 3.92Å; Y129-W144 AromaticContact CG-CD1 3.84Å; Y129-W144 AromaticContact CG-CD2 3.97Å; Y129-W144 HydrophobicContact CG-CD2 3.97Å; Y129-W144 AromaticContact CG-CG 3.63Å; Y129-W144 HydrophobicContact CG-CG 3.63Å
130	K	79.1	Confident	77.5	Confident	107 Å²	107	59.5 Å²	59.5	47%	0.465	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	122.9	179.2	-66.1	169.5	168.3	-163.6	0	109.5	N135 I138	K130-N135 VanDerWaalsContact CD-OD1 3.27Å; K130-N135 WeakPolarHBondContact CD-OD1 3.37Å; K130-N135 WeakPolarHBondContact CE-OD1 3.45Å; K130-N135 PolarHBondContact NZ-OD1 3.28Å; K130-I138 HydrophobicContact CG-CG1 4.4Å
131	T	66.5	Low	77.6	Confident	44 Å²	44	59.9 Å²	59.9	27%	0.27	32%	0.316	S	S	.	.			trans	-98.9	-18	-175.8	58.4	0	0	0	0	114.6	V30 N137 L139	V30-T131 VanDerWaalsContact CG1-O 3.24Å; V30-T131 WeakPolarHBondContact CG1-O 3.49Å; T131-N137 PolarHBondContact N-O 3.16Å; T131-N137 WeakPolarHBondContact OG1-CB 3.45Å; T131-N137 PolarHBondContact OG1-O 2.87Å; T131-L139 HydrophobicContact CG2-CD1 3.56Å; T131-L139 HydrophobicContact CG2-CG 3.95Å
132	S	62.4	Low	77.7	Confident	16 Å²	16	61.5 Å²	61.5	11%	0.112	33%	0.325	C	S	.	.	S	Bend	trans	-119.7	152.1	176.1	71.3	0	0	0	0	112	S134 N135	S132-S134 WeakPolarHBondContact CB-OG 3.44Å; S132-S134 PolarHBondContact O-N 3.19Å; S132-S134 VanDerWaalsContact O-N 3.14Å; S132-S134 PolarHBondContact OG-N 3.47Å; S132-S134 PolarHBondContact OG-OG 2.65Å; S132-N135 PolarHBondContact O-N 3.09Å
133	L	57.8	Low	77.7	Confident	172 Å²	172	58.5 Å²	58.5	90%	0.901	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.6	-25	168	-120.3	74.7	0	0	0	112.2	N135	L133-N135 VanDerWaalsContact C-N 3.28Å; L133-N135 PolarHBondContact O-N 3.46Å
134	S	57.9	Low	77.6	Confident	81 Å²	81	62 Å²	62	57%	0.566	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.2	9.2	-178.4	62.7	0	0	0	0	115	S132 S136	S132-S134 WeakPolarHBondContact CB-OG 3.44Å; S132-S134 PolarHBondContact O-N 3.19Å; S132-S134 VanDerWaalsContact O-N 3.14Å; S132-S134 PolarHBondContact OG-N 3.47Å; S132-S134 PolarHBondContact OG-OG 2.65Å; S134-S136 PolarHBondContact O-N 2.75Å; S134-S136 PolarHBondContact OG-OG 2.81Å
135	N	59.3	Low	77.3	Confident	97 Å²	97	65.1 Å²	65.1	52%	0.519	34%	0.339	S	S	.	.	S	Bend	trans	55	2	-177.8	-84.4	-32	0	0	0	115.7	K130 S132 L133	K130-N135 VanDerWaalsContact CD-OD1 3.27Å; K130-N135 WeakPolarHBondContact CD-OD1 3.37Å; K130-N135 WeakPolarHBondContact CE-OD1 3.45Å; K130-N135 PolarHBondContact NZ-OD1 3.28Å; S132-N135 PolarHBondContact O-N 3.09Å; L133-N135 VanDerWaalsContact C-N 3.28Å; L133-N135 PolarHBondContact O-N 3.46Å
136	S	67.6	Low	76.9	Confident	77 Å²	77	60 Å²	60	54%	0.538	32%	0.316	S	S	.	.			trans	-87.3	-23.9	-167.6	60.8	0	0	0	0	113.7	S134	S134-S136 PolarHBondContact O-N 2.75Å; S134-S136 PolarHBondContact OG-OG 2.81Å
137	N	77.3	Confident	76.6	Confident	25 Å²	25	54.4 Å²	54.4	13%	0.134	29%	0.29	C	S	.	.			trans	-109.5	107.8	-177.4	-66.5	-30	0	0	0	109.9	I117 T131	I117-N137 WeakPolarHBondContact CD1-OD1 3.28Å; T131-N137 PolarHBondContact N-O 3.16Å; T131-N137 WeakPolarHBondContact OG1-CB 3.45Å; T131-N137 PolarHBondContact OG1-O 2.87Å
138	I	82.4	Confident	76.2	Confident	19 Å²	19	57.9 Å²	57.9	10%	0.097	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	135.8	-180	-58.2	173.9	0	0	0	109.6	Y114 C116 I117 A128 Y129 K130	Y114-I138 HydrophobicContact CD1-CD1 3.34Å; Y114-I138 HydrophobicContact CE1-CD1 4.27Å; Y114-I138 HydrophobicContact CG-CD1 3.86Å; C116-I138 CarbonylContact C-O 3.42Å; C116-I138 WeakPolarHBondContact CA-O 3.48Å; I117-I138 PolarHBondContact N-O 3.1Å; A128-I138 HydrophobicContact CB-CG2 3.69Å; Y129-I138 WeakPolarHBondContact O-CA 3.4Å; K130-I138 HydrophobicContact CG-CG1 4.4Å
139	L	85.7	Confident	75.5	Confident	17 Å²	17	59.3 Å²	59.3	9%	0.089	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	143.9	171.7	-66.3	175.2	0	0	0	110.2	I117 K118 Y129 T131 C143 W144 A147	I117-L139 HydrophobicContact CG2-CD2 3.73Å; K118-L139 HydrophobicContact CB-CD2 3.84Å; Y129-L139 PolarHBondContact N-O 3.24Å; Y129-L139 PolarHBondContact O-N 2.94Å; T131-L139 HydrophobicContact CG2-CD1 3.56Å; T131-L139 HydrophobicContact CG2-CG 3.95Å; L139-C143 HydrophobicContact CB-CB 4.27Å; L139-C143 HydrophobicContact CD2-CB 4.02Å; L139-W144 HydrophobicContact CB-CB 4.23Å; L139-A147 HydrophobicContact CD1-CB 4.38Å
140	C	87.5	Confident	75	Confident	1 Å²	1	56.9 Å²	56.9	1%	0.007	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	159	164.2	68.1	0	0	0	0	110.2	C116 C119 V123 C127 E142 C143 W144	C116-C140 HydrophobicContact CB-CB 4.02Å; C116-C140 PolarHBondContact SG-N 2.9Å; C119-C140 PolarHBondContact SG-SG 3.4Å; V123-C140 HydrophobicContact CG1-CB 3.54Å; V123-C140 HydrophobicContact CG2-CB 4.3Å; C127-C140 CarbonylContact O-C 3.57Å; C127-C140 WeakPolarHBondContact O-CA 3.36Å; C140-E142 VanDerWaalsContact C-N 3.29Å; C140-E142 PolarHBondContact O-N 3.42Å; C140-C143 PolarHBondContact O-N 3.48Å; C140-C143 PolarHBondContact SG-N 3.14Å; C140-C143 VanDerWaalsContact SG-N 3.4Å; C140-C143 PolarHBondContact SG-SG 2.94Å; C140-W144 PolarHBondContact O-N 2.94Å
141	K	85.2	Confident	74.7	Confident	95 Å²	95	55 Å²	55	41%	0.413	30%	0.304	S	S	.	.	H	α-helix	trans	-46	-49.1	176.7	-169	173.9	-179.5	-177.7	0	113.5	T102 C127 Y129 C143 W144 D145	T102-K141 HydrophobicContact CG2-CB 3.92Å; T102-K141 HydrophobicContact CG2-CD 4.07Å; C127-K141 PolarHBondContact O-N 3.23Å; C127-K141 VanDerWaalsContact O-N 3.09Å; Y129-K141 HydrophobicContact CD2-CB 4.35Å; Y129-K141 HydrophobicContact CE2-CB 3.71Å; Y129-K141 HydrophobicContact CE2-CG 3.77Å; K141-C143 PolarHBondContact O-N 3.43Å; K141-W144 PolarHBondContact O-N 3.3Å; K141-D145 PolarHBondContact O-N 3.01Å
142	E	83.3	Confident	74.9	Confident	83 Å²	83	60.8 Å²	60.8	39%	0.388	33%	0.325	S	S	.	.	H	α-helix	trans	-58.7	-48.5	177.6	-68.8	173.2	-169.8	0	0	112.5	R121 C140 W144 D145 I146	R121-E142 IonicContact CZ-OE2 3.86Å; R121-E142 IonicContact NH1-OE1 3.85Å; R121-E142 IonicContact NH1-OE2 2.75Å; R121-E142 PolarHBondContact NH1-OE2 2.82Å; C140-E142 VanDerWaalsContact C-N 3.29Å; C140-E142 PolarHBondContact O-N 3.42Å; E142-W144 VanDerWaalsContact C-N 3.28Å; E142-W144 PolarHBondContact O-N 3.21Å; E142-D145 PolarHBondContact O-N 2.82Å; E142-I146 WeakPolarHBondContact O-CB 3.44Å; E142-I146 WeakPolarHBondContact O-CG1 3.42Å; E142-I146 PolarHBondContact O-N 3.35Å
143	C	84.9	Confident	75.4	Confident	2 Å²	2	63.1 Å²	63.1	1%	0.014	34%	0.338	C	S	.	.	H	α-helix	trans	-68.1	-31.4	180	-72.4	0	0	0	0	112.1	C116 K118 L139 C140 K141 A147	C116-C143 VanDerWaalsContact SG-SG 3.68Å; K118-C143 HydrophobicContact CB-CB 4.18Å; L139-C143 HydrophobicContact CB-CB 4.27Å; L139-C143 HydrophobicContact CD2-CB 4.02Å; C140-C143 PolarHBondContact O-N 3.48Å; C140-C143 PolarHBondContact SG-N 3.14Å; C140-C143 VanDerWaalsContact SG-N 3.4Å; C140-C143 PolarHBondContact SG-SG 2.94Å; K141-C143 PolarHBondContact O-N 3.43Å; C143-A147 VanDerWaalsContact O-CB 3.28Å; C143-A147 WeakPolarHBondContact O-CB 3.49Å; C143-A147 PolarHBondContact O-N 2.9Å
144	W	84.2	Confident	76.1	Confident	74 Å²	74	56.3 Å²	56.3	28%	0.28	31%	0.31	S	S	.	.	H	α-helix	trans	-68.9	-44.7	174.3	-173.4	84.3	0	0	0	111.5	Y129 L139 C140 K141 E142 I146 A147 K148	Y129-W144 AromaticContact CD1-CD1 3.98Å; Y129-W144 AromaticContact CD1-CD2 3.68Å; Y129-W144 HydrophobicContact CD1-CD2 3.68Å; Y129-W144 AromaticContact CD1-CE2 3.73Å; Y129-W144 HydrophobicContact CD1-CE3 4.17Å; Y129-W144 AromaticContact CD1-CG 3.84Å; Y129-W144 HydrophobicContact CD1-CG 3.84Å; Y129-W144 HydrophobicContact CD1-CZ2 4.23Å; Y129-W144 AromaticContact CD1-NE1 3.92Å; Y129-W144 HydrophobicContact CD2-CB 3.98Å; Y129-W144 HydrophobicContact CD2-CG 4.15Å; Y129-W144 AromaticContact CE1-CD2 3.97Å; Y129-W144 HydrophobicContact CE1-CD2 3.97Å; Y129-W144 AromaticContact CE1-CE3 3.97Å; Y129-W144 HydrophobicContact CE1-CE3 3.97Å; Y129-W144 HydrophobicContact CE1-CH2 4.29Å; Y129-W144 HydrophobicContact CE1-CZ2 4.35Å; Y129-W144 HydrophobicContact CE1-CZ3 4.13Å; Y129-W144 HydrophobicContact CG-CB 3.92Å; Y129-W144 AromaticContact CG-CD1 3.84Å; Y129-W144 AromaticContact CG-CD2 3.97Å; Y129-W144 HydrophobicContact CG-CD2 3.97Å; Y129-W144 AromaticContact CG-CG 3.63Å; Y129-W144 HydrophobicContact CG-CG 3.63Å; L139-W144 HydrophobicContact CB-CB 4.23Å; C140-W144 PolarHBondContact O-N 2.94Å; K141-W144 PolarHBondContact O-N 3.3Å; E142-W144 VanDerWaalsContact C-N 3.28Å; E142-W144 PolarHBondContact O-N 3.21Å; W144-I146 PolarHBondContact O-N 2.96Å; W144-A147 PolarHBondContact O-N 2.99Å; W144-K148 HydrophobicContact CE3-CD 4.38Å; W144-K148 HydrophobicContact CH2-CD 3.78Å; W144-K148 HydrophobicContact CZ2-CD 4.32Å; W144-K148 HydrophobicContact CZ3-CD 3.78Å; W144-K148 VanDerWaalsContact O-CB 3.32Å; W144-K148 WeakPolarHBondContact O-CB 3.46Å; W144-K148 PolarHBondContact O-N 3.35Å
145	D	80	Confident	76.8	Confident	74 Å²	74	55.8 Å²	55.8	40%	0.396	30%	0.301	S	S	.	.	H	α-helix	trans	-63.2	-41.4	175.9	-73	-31.7	0	0	0	111.5	K141 E142 K148 C149	K141-D145 PolarHBondContact O-N 3.01Å; E142-D145 PolarHBondContact O-N 2.82Å; D145-K148 PolarHBondContact O-N 3Å; D145-C149 WeakPolarHBondContact O-CB 3.47Å; D145-C149 PolarHBondContact O-N 3.23Å
146	I	76.3	Confident	77.4	Confident	28 Å²	28	56.7 Å²	56.7	14%	0.144	30%	0.297	C	S	.	.	H	α-helix	trans	-62.4	-47.3	173.5	-67.7	167.4	0	0	0	110.6	L87 L89 E142 W144 K148 C149 I150	L87-I146 HydrophobicContact CD1-CG1 4.23Å; L87-I146 HydrophobicContact CD1-CG2 4.4Å; L87-I146 HydrophobicContact CD2-CG1 4.42Å; L89-I146 HydrophobicContact CD1-CD1 3.73Å; E142-I146 WeakPolarHBondContact O-CB 3.44Å; E142-I146 WeakPolarHBondContact O-CG1 3.42Å; E142-I146 PolarHBondContact O-N 3.35Å; W144-I146 PolarHBondContact O-N 2.96Å; I146-K148 VanDerWaalsContact C-N 3.31Å; I146-K148 PolarHBondContact O-N 3.23Å; I146-C149 WeakPolarHBondContact O-CB 3.37Å; I146-C149 PolarHBondContact O-N 2.97Å; I146-I150 HydrophobicContact CG2-CD1 3.75Å; I146-I150 HydrophobicContact CG2-CG1 4.35Å; I146-I150 VanDerWaalsContact O-CG1 3.31Å; I146-I150 WeakPolarHBondContact O-CG1 3.2Å; I146-I150 PolarHBondContact O-N 2.78Å
147	A	77	Confident	77.3	Confident	29 Å²	29	57.1 Å²	57.1	24%	0.24	29%	0.29	C	S	.	.	H	α-helix	trans	-61.3	-41	177.9	0	0	0	0	0	111.8	L139 C143 W144 C149 I150 C151	L139-A147 HydrophobicContact CD1-CB 4.38Å; C143-A147 VanDerWaalsContact O-CB 3.28Å; C143-A147 WeakPolarHBondContact O-CB 3.49Å; C143-A147 PolarHBondContact O-N 2.9Å; W144-A147 PolarHBondContact O-N 2.99Å; A147-C149 VanDerWaalsContact C-N 3.32Å; A147-C149 PolarHBondContact O-N 3.49Å; A147-I150 PolarHBondContact O-N 2.94Å; A147-C151 WeakPolarHBondContact O-CB 3.39Å; A147-C151 PolarHBondContact O-N 3.47Å; A147-C151 PolarHBondContact O-SG 3.21Å
148	K	77.5	Confident	76.9	Confident	80 Å²	80	60.1 Å²	60.1	35%	0.348	31%	0.306	S	S	.	.	H	α-helix	trans	-64.1	-37.6	175.4	-167.9	177.9	-172.7	178.6	0	111.7	W144 D145 I146 K152	W144-K148 HydrophobicContact CE3-CD 4.38Å; W144-K148 HydrophobicContact CH2-CD 3.78Å; W144-K148 HydrophobicContact CZ2-CD 4.32Å; W144-K148 HydrophobicContact CZ3-CD 3.78Å; W144-K148 VanDerWaalsContact O-CB 3.32Å; W144-K148 WeakPolarHBondContact O-CB 3.46Å; W144-K148 PolarHBondContact O-N 3.35Å; D145-K148 PolarHBondContact O-N 3Å; I146-K148 VanDerWaalsContact C-N 3.31Å; I146-K148 PolarHBondContact O-N 3.23Å; K148-K152 WeakPolarHBondContact O-CB 3.49Å; K148-K152 VanDerWaalsContact O-CG 3.3Å; K148-K152 WeakPolarHBondContact O-CG 3.29Å; K148-K152 PolarHBondContact O-N 3.21Å
149	C	71.5	Confident	75.9	Confident	51 Å²	51	65 Å²	65	35%	0.345	32%	0.324	S	S	.	.	H	α-helix	trans	-65.5	-51.8	175	-153.5	0	0	0	0	110.9	D145 I146 A147 C151 K152 T153	D145-C149 WeakPolarHBondContact O-CB 3.47Å; D145-C149 PolarHBondContact O-N 3.23Å; I146-C149 WeakPolarHBondContact O-CB 3.37Å; I146-C149 PolarHBondContact O-N 2.97Å; A147-C149 VanDerWaalsContact C-N 3.32Å; A147-C149 PolarHBondContact O-N 3.49Å; C149-C151 PolarHBondContact O-N 3.11Å; C149-K152 WeakPolarHBondContact O-CA 3.17Å; C149-K152 WeakPolarHBondContact O-CB 3.34Å; C149-K152 PolarHBondContact O-N 3.01Å; C149-T153 WeakPolarHBondContact O-CG2 3.44Å; C149-T153 PolarHBondContact O-N 3Å; C149-T153 PolarHBondContact O-OG1 3.09Å; C149-T153 VanDerWaalsContact O-OG1 3.09Å
150	I	72.6	Confident	74.6	Confident	22 Å²	22	65.8 Å²	65.8	11%	0.113	33%	0.326	C	S	.	.	H	α-helix	trans	-55.8	-38.4	177.1	-68.9	171	0	0	0	111.6	I146 A147 T153 G154 D155 W156 Y159	I146-I150 HydrophobicContact CG2-CD1 3.75Å; I146-I150 HydrophobicContact CG2-CG1 4.35Å; I146-I150 VanDerWaalsContact O-CG1 3.31Å; I146-I150 WeakPolarHBondContact O-CG1 3.2Å; I146-I150 PolarHBondContact O-N 2.78Å; A147-I150 PolarHBondContact O-N 2.94Å; I150-T153 PolarHBondContact O-OG1 3.2Å; I150-G154 PolarHBondContact O-N 3.44Å; I150-D155 HydrophobicContact CG2-CB 4.25Å; I150-D155 PolarHBondContact O-N 3.28Å; I150-W156 HydrophobicContact CG2-CB 3.73Å; I150-W156 VanDerWaalsContact CG2-N 3.31Å; I150-Y159 HydrophobicContact CD1-CE2 4.15Å
151	C	72	Confident	73.3	Confident	69 Å²	69	68.5 Å²	68.5	47%	0.466	34%	0.342	S	S	.	.	H	α-helix	trans	-70.1	-36.4	175.3	-66.8	0	0	0	0	112.7	A147 C149	A147-C151 WeakPolarHBondContact O-CB 3.39Å; A147-C151 PolarHBondContact O-N 3.47Å; A147-C151 PolarHBondContact O-SG 3.21Å; C149-C151 PolarHBondContact O-N 3.11Å
152	K	71.2	Confident	72.2	Confident	165 Å²	165	70 Å²	70	72%	0.717	35%	0.351	S	S	*	.	H	α-helix	trans	-74.2	-36.8	178.9	-79.4	-179.9	173.4	-167.2	0	112.9	K148 C149	K148-K152 WeakPolarHBondContact O-CB 3.49Å; K148-K152 VanDerWaalsContact O-CG 3.3Å; K148-K152 WeakPolarHBondContact O-CG 3.29Å; K148-K152 PolarHBondContact O-N 3.21Å; C149-K152 WeakPolarHBondContact O-CA 3.17Å; C149-K152 WeakPolarHBondContact O-CB 3.34Å; C149-K152 PolarHBondContact O-N 3.01Å
153	T	71.6	Confident	70.9	Confident	64 Å²	64	71.2 Å²	71.2	39%	0.393	36%	0.364	S	S	.	.	H	α-helix	trans	-82.9	-21.7	-177.5	55.7	0	0	0	0	112.8	C149 I150 D155	C149-T153 WeakPolarHBondContact O-CG2 3.44Å; C149-T153 PolarHBondContact O-N 3Å; C149-T153 PolarHBondContact O-OG1 3.09Å; C149-T153 VanDerWaalsContact O-OG1 3.09Å; I150-T153 PolarHBondContact O-OG1 3.2Å; T153-D155 VanDerWaalsContact C-N 3.33Å; T153-D155 WeakPolarHBondContact CB-OD2 3.39Å; T153-D155 PolarHBondContact OG1-N 3.07Å; T153-D155 PolarHBondContact OG1-OD2 2.92Å
154	G	74.3	Confident	68.9	Low	30 Å²	30	74.7 Å²	74.7	31%	0.309	38%	0.379	S	S	.	.	S	Bend	trans	87.6	0.4	-173.4	0	0	0	0	0	113.6	I150 W156 F157	I150-G154 PolarHBondContact O-N 3.44Å; G154-W156 PolarHBondContact O-N 2.68Å; G154-F157 WeakPolarHBondContact O-CB 3.37Å; G154-F157 PolarHBondContact O-N 2.79Å
155	D	71.1	Confident	67.3	Low	70 Å²	70	80.9 Å²	80.9	37%	0.374	41%	0.411	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-14.7	-179.1	-68.1	-36	0	0	0	113.7	I150 T153 F157 N158 Y159	I150-D155 HydrophobicContact CG2-CB 4.25Å; I150-D155 PolarHBondContact O-N 3.28Å; T153-D155 VanDerWaalsContact C-N 3.33Å; T153-D155 WeakPolarHBondContact CB-OD2 3.39Å; T153-D155 PolarHBondContact OG1-N 3.07Å; T153-D155 PolarHBondContact OG1-OD2 2.92Å; D155-F157 PolarHBondContact O-N 3Å; D155-N158 PolarHBondContact O-N 3.23Å; D155-N158 VanDerWaalsContact O-N 3.11Å; D155-Y159 PolarHBondContact O-N 2.91Å
156	W	73.2	Confident	65.7	Low	115 Å²	115	82.3 Å²	82.3	44%	0.436	42%	0.423	S	S	.	.	H	α-helix	trans	-57.9	-30	172.5	73.4	-89.2	0	0	0	111.6	F22 I150 G154 Y159 Y160	F22-W156 HydrophobicContact CE1-CZ3 4.38Å; F22-W156 HydrophobicContact CZ-CZ3 4.22Å; I150-W156 HydrophobicContact CG2-CB 3.73Å; I150-W156 VanDerWaalsContact CG2-N 3.31Å; G154-W156 PolarHBondContact O-N 2.68Å; W156-Y159 PolarHBondContact O-N 3.04Å; W156-Y160 WeakPolarHBondContact O-CB 3.22Å; W156-Y160 PolarHBondContact O-N 3.43Å
157	F	64.8	Low	63.9	Low	87 Å²	87	85.1 Å²	85.1	38%	0.382	45%	0.445	S	S	.	.	H	α-helix	trans	-67.4	-36.6	178	-170.7	-100.4	0	0	0	111.7	G154 D155 Y160 T161 L169	G154-F157 WeakPolarHBondContact O-CB 3.37Å; G154-F157 PolarHBondContact O-N 2.79Å; D155-F157 PolarHBondContact O-N 3Å; F157-Y160 WeakPolarHBondContact O-CB 3.43Å; F157-Y160 PolarHBondContact O-N 2.82Å; F157-T161 HydrophobicContact CD1-CG2 4.14Å; F157-T161 HydrophobicContact CE1-CG2 3.75Å; F157-T161 HydrophobicContact CZ-CG2 4.05Å; F157-T161 WeakPolarHBondContact O-CG2 3.3Å; F157-T161 PolarHBondContact O-N 3.41Å; F157-T161 PolarHBondContact O-OG1 3.09Å; F157-L169 HydrophobicContact CZ-CD1 4.11Å
158	N	67.8	Low	62.1	Low	88 Å²	88	86.5 Å²	86.5	47%	0.471	45%	0.451	S	S	.	.	H	α-helix	trans	-67.6	-42.9	175.9	-67.5	-22.2	0	0	0	111.4	D155 Y160 T161 E162	D155-N158 PolarHBondContact O-N 3.23Å; D155-N158 VanDerWaalsContact O-N 3.11Å; N158-Y160 PolarHBondContact O-N 3.11Å; N158-T161 WeakPolarHBondContact CA-OG1 3.49Å; N158-T161 PolarHBondContact O-N 2.94Å; N158-T161 PolarHBondContact O-OG1 3.39Å; N158-E162 WeakPolarHBondContact O-CG 3.35Å; N158-E162 PolarHBondContact O-N 2.97Å
159	Y	61.3	Low	60.2	Low	122 Å²	122	88 Å²	88	48%	0.478	46%	0.462	S	S	.	.	H	α-helix	trans	-63	-32.7	172.4	-81.5	-76.1	0	0	0	112.5	I150 D155 W156 T163	I150-Y159 HydrophobicContact CD1-CE2 4.15Å; D155-Y159 PolarHBondContact O-N 2.91Å; W156-Y159 PolarHBondContact O-N 3.04Å; Y159-T163 WeakPolarHBondContact O-CG2 3.11Å; Y159-T163 PolarHBondContact O-N 2.99Å; Y159-T163 PolarHBondContact O-OG1 3.4Å
160	Y	58.5	Low	58.3	Low	32 Å²	32	94.7 Å²	94.7	13%	0.125	49%	0.486	C	S	.	.	H	α-helix	trans	-70.8	-40	175.9	176.2	-99.8	0	0	0	112.4	L18 W156 F157 N158 T163 K164	L18-Y160 HydrophobicContact CD2-CE1 4.35Å; L18-Y160 VanDerWaalsContact CD2-OH 3.28Å; L18-Y160 WeakPolarHBondContact CD2-OH 3.14Å; W156-Y160 WeakPolarHBondContact O-CB 3.22Å; W156-Y160 PolarHBondContact O-N 3.43Å; F157-Y160 WeakPolarHBondContact O-CB 3.43Å; F157-Y160 PolarHBondContact O-N 2.82Å; N158-Y160 PolarHBondContact O-N 3.11Å; Y160-T163 PolarHBondContact O-OG1 3.35Å; Y160-K164 HydrophobicContact CE2-CD 4.34Å; Y160-K164 PolarHBondContact O-N 3.5Å; Y160-K164 WeakPolarHBondContact OH-CE 3.08Å; Y160-K164 PolarHBondContact OH-NZ 2.94Å
161	T	60.2	Low	56.6	Low	58 Å²	58	99 Å²	99	36%	0.356	51%	0.508	S	S	.	.	H	α-helix	trans	-73.3	-34.4	177.2	51.9	0	0	0	0	112.6	F157 N158 T163	F157-T161 HydrophobicContact CD1-CG2 4.14Å; F157-T161 HydrophobicContact CE1-CG2 3.75Å; F157-T161 HydrophobicContact CZ-CG2 4.05Å; F157-T161 WeakPolarHBondContact O-CG2 3.3Å; F157-T161 PolarHBondContact O-N 3.41Å; F157-T161 PolarHBondContact O-OG1 3.09Å; N158-T161 WeakPolarHBondContact CA-OG1 3.49Å; N158-T161 PolarHBondContact O-N 2.94Å; N158-T161 PolarHBondContact O-OG1 3.39Å; T161-T163 VanDerWaalsContact C-N 3.3Å; T161-T163 PolarHBondContact O-N 2.93Å
162	E	62.2	Low	54.6	Low	126 Å²	126	103 Å²	103	59%	0.589	53%	0.525	S	S	*	.	H	α-helix	trans	-66.8	-28.2	174.8	-76.5	-176.7	170.1	0	0	113	N158 R549	N158-E162 WeakPolarHBondContact O-CG 3.35Å; N158-E162 PolarHBondContact O-N 2.97Å; E162-R549 IonicContact OE1-NH1 3.45Å
163	T	57.3	Low	52.9	Low	109 Å²	109	99.4 Å²	99.4	67%	0.669	52%	0.516	S	S	*	.	H	α-helix	trans	-91.2	-10.1	-176.7	48.9	0	0	0	0	114.5	Y159 Y160 T161	Y159-T163 WeakPolarHBondContact O-CG2 3.11Å; Y159-T163 PolarHBondContact O-N 2.99Å; Y159-T163 PolarHBondContact O-OG1 3.4Å; Y160-T163 PolarHBondContact O-OG1 3.35Å; T161-T163 VanDerWaalsContact C-N 3.3Å; T161-T163 PolarHBondContact O-N 2.93Å
164	K	42.8	Very low	50.9	Low	76 Å²	76	105 Å²	105	33%	0.33	53%	0.53	S	S	.	.			trans	-103.1	115.2	171.8	-80.3	-162.4	171.4	177.7	0	110.5	Y160 T166 P168	Y160-K164 HydrophobicContact CE2-CD 4.34Å; Y160-K164 PolarHBondContact O-N 3.5Å; Y160-K164 WeakPolarHBondContact OH-CE 3.08Å; Y160-K164 PolarHBondContact OH-NZ 2.94Å; K164-T166 PolarHBondContact O-N 3.22Å; K164-P168 HydrophobicContact CD-CG 4.18Å
165	E	49.9	Very low	48.8	Very low	203 Å²	203	111.8 Å²	111.8	95%	0.949	55%	0.552	S	S	*	*	S	Bend	trans	-60.5	-9.8	175.7	-67.5	-178.8	161	0	0	114.1
166	T	47.5	Very low	47	Very low	105 Å²	105	117.8 Å²	117.8	64%	0.644	57%	0.574	S	S	*	*	S	Bend	trans	-128.5	116.7	179.5	56.2	0	0	0	0	110.4	K164 P168	K164-T166 PolarHBondContact O-N 3.22Å; T166-P168 WeakPolarHBondContact O-CD 3.33Å; T166-P168 VanDerWaalsContact O-N 3.14Å
167	S	37.2	Very low	44.9	Very low	87 Å²	87	118.3 Å²	118.3	61%	0.608	59%	0.592	S	S	*	*			trans	-55.4	114.1	174.7	66.6	0	0	0	0	110.5	L169	S167-L169 PolarHBondContact O-N 2.89Å
168	P	38.7	Very low	43.4	Very low	58 Å²	58	122.2 Å²	122.2	38%	0.377	62%	0.616	S	S	.	*	S	Bend	trans	-75.4	0.3	-179.7	-14.8	30.8	0	0	0	113.9	K164 T166	K164-P168 HydrophobicContact CD-CG 4.18Å; T166-P168 WeakPolarHBondContact O-CD 3.33Å; T166-P168 VanDerWaalsContact O-N 3.14Å
169	L	38.5	Very low	41.8	Very low	111 Å²	111	126.3 Å²	126.3	58%	0.581	63%	0.633	S	S	*	*			trans	-131.6	65.6	-171	-61.8	173	0	0	0	111.5	F157 S167 I171	F157-L169 HydrophobicContact CZ-CD1 4.11Å; S167-L169 PolarHBondContact O-N 2.89Å; L169-I171 HydrophobicContact CD2-CD1 4.3Å
170	K	32.7	Very low	40.5	Very low	192 Å²	192	127.7 Å²	127.7	84%	0.835	65%	0.649	S	S	*	*			trans	-95.4	90.5	151.5	-89.3	-175.6	177.6	176.8	0	107.2
171	I	36.8	Very low	39.3	Very low	111 Å²	111	133.3 Å²	133.3	57%	0.569	68%	0.681	S	S	*	*			trans	-97.8	100.7	169.1	-50	175.2	0	0	0	106.1	L169 V173	L169-I171 HydrophobicContact CD2-CD1 4.3Å; I171-V173 HydrophobicContact CB-CG2 4.29Å; I171-V173 HydrophobicContact CG2-CG2 3.18Å; I171-V173 PolarHBondContact O-N 3.01Å
172	D	28.2	Very low	38.1	Very low	154 Å²	154	138.5 Å²	138.5	82%	0.824	71%	0.705	S	S	*	*			trans	-84.8	82.8	173.5	-149.8	-2.7	0	0	0	107
173	V	37.1	Very low	36.7	Very low	90 Å²	90	144.1 Å²	144.1	55%	0.545	72%	0.721	S	S	.	*			trans	-94.8	96.3	176.5	-160.6	0	0	0	0	109.3	I171 F175	I171-V173 HydrophobicContact CB-CG2 4.29Å; I171-V173 HydrophobicContact CG2-CG2 3.18Å; I171-V173 PolarHBondContact O-N 3.01Å; V173-F175 HydrophobicContact CB-CE2 4.43Å; V173-F175 HydrophobicContact CG1-CD2 3.61Å; V173-F175 HydrophobicContact CG1-CE2 3.37Å; V173-F175 HydrophobicContact CG1-CG 4.48Å; V173-F175 HydrophobicContact CG1-CZ 4.07Å
174	R	28.1	Very low	35.5	Very low	180 Å²	180	148.9 Å²	148.9	68%	0.679	73%	0.732	S	S	*	*			trans	-85.1	104.9	162.5	-80.4	-175.9	179.6	-172.1	0.4	109.5
175	F	30.5	Very low	35.1	Very low	174 Å²	174	150 Å²	150	76%	0.763	76%	0.756	S	S	*	*	P	Polyproline II helix	trans	-78.6	124.7	162.1	-80.7	-81.5	0	0	0	109.8	V173	V173-F175 HydrophobicContact CB-CE2 4.43Å; V173-F175 HydrophobicContact CG1-CD2 3.61Å; V173-F175 HydrophobicContact CG1-CE2 3.37Å; V173-F175 HydrophobicContact CG1-CG 4.48Å; V173-F175 HydrophobicContact CG1-CZ 4.07Å
176	K	33.1	Very low	34.2	Very low	195 Å²	195	149.9 Å²	149.9	85%	0.848	75%	0.753	S	S	*	*	P	Polyproline II helix	trans	-89.3	128.8	162.2	-74.9	-175.5	177	-177.6	0	107.7	L178	K176-L178 PolarHBondContact O-N 3.22Å
177	P	30.1	Very low	33.5	Very low	126 Å²	126	150.5 Å²	150.5	82%	0.818	76%	0.761	S	S	*	*	P	Polyproline II helix	trans	-65.4	134.4	176	-14.9	28.5	0	0	0	110.6	Q179	P177-Q179 PolarHBondContact O-N 3.39Å
178	L	32.1	Very low	33.1	Very low	169 Å²	169	154.7 Å²	154.7	89%	0.885	77%	0.771	S	S	*	*			trans	-64.3	113.8	169.6	-80.4	151.5	0	0	0	109.3	K176 N180	K176-L178 PolarHBondContact O-N 3.22Å; L178-N180 PolarHBondContact O-N 3.21Å
179	Q	35.9	Very low	32.9	Very low	175 Å²	175	157.8 Å²	157.8	82%	0.818	79%	0.789	S	S	*	*			trans	-69.3	113.5	165	-80.2	-173.9	-18.2	0	0	109.2	P177 N181	P177-Q179 PolarHBondContact O-N 3.39Å; Q179-N181 PolarHBondContact O-N 2.98Å
180	N	33.9	Very low	32.6	Very low	151 Å²	151	161.7 Å²	161.7	81%	0.807	80%	0.801	S	S	*	*			trans	-70	106.1	166.5	-87.5	-20	0	0	0	109.6	L178 L182	L178-N180 PolarHBondContact O-N 3.21Å; N180-L182 PolarHBondContact O-N 3.28Å
181	N	32.7	Very low	32.6	Very low	150 Å²	150	158.4 Å²	158.4	80%	0.802	80%	0.802	S	S	*	*			trans	-73.4	98.3	163.2	-76	-42.6	0	0	0	109.4	Q179	Q179-N181 PolarHBondContact O-N 2.98Å
182	L	33.9	Very low	32.4	Very low	167 Å²	167	163.1 Å²	163.1	87%	0.874	82%	0.819	S	S	*	*			trans	-80.8	114.5	162.1	-94.1	156.9	0	0	0	109.3	N180	N180-L182 PolarHBondContact O-N 3.28Å
183	R	32.8	Very low	32.6	Very low	244 Å²	244	163.1 Å²	163.1	92%	0.921	82%	0.818	S	S	*	*			trans	-57.5	127.2	178.8	-68.2	172.3	177.2	171.9	-2.3	111.4
184	K	32.2	Very low	32.4	Very low	208 Å²	208	165 Å²	165	90%	0.904	83%	0.825	S	S	*	*			trans	-89.3	111.1	155.9	-80.4	-176.7	176.6	178.4	0	108.8
185	A	34.8	Very low	32.7	Very low	100 Å²	100	164 Å²	164	83%	0.826	83%	0.833	S	S	*	*			trans	-76.6	133.4	163.1	0	0	0	0	0	109
186	K	31.5	Very low	33	Very low	201 Å²	201	161 Å²	161	87%	0.874	83%	0.833	S	S	*	*			trans	-70.3	127.9	173.2	-74.1	175.7	171.2	-177.8	0	109.8
187	S	31.8	Very low	33.1	Very low	117 Å²	117	157 Å²	157	82%	0.818	83%	0.83	S	S	*	*			trans	-133.1	99.8	142.6	71.6	0	0	0	0	107.7
188	E	29.5	Very low	33.3	Very low	175 Å²	175	160 Å²	160	82%	0.818	83%	0.83	S	S	*	*			trans	-60.7	138.2	153.9	-73.6	168.2	150	0	0	107.5
189	V	34.2	Very low	33.5	Very low	124 Å²	124	160.1 Å²	160.1	75%	0.752	83%	0.832	S	S	*	*			trans	171.8	129.7	145.4	155.3	0	0	0	0	109.6
190	F	32	Very low	33.3	Very low	192 Å²	192	158.6 Å²	158.6	84%	0.842	83%	0.828	S	S	*	*			trans	64.6	102	165	-75.3	-64.6	0	0	0	121.2
191	S	32.9	Very low	33.5	Very low	123 Å²	123	158.2 Å²	158.2	86%	0.86	83%	0.831	S	S	*	*				-175.8	99.9	111.4	37.4	0	0	0	0	110.4
192	K	32.2	Very low	33.5	Very low	211 Å²	211	155.7 Å²	155.7	92%	0.917	83%	0.825	S	S	*	*			trans	-109.2	123.3	157.5	-92.6	-176.5	176.8	178.6	0	107
193	L	34	Very low	33.7	Very low	153 Å²	153	153.1 Å²	153.1	80%	0.801	82%	0.821	S	S	*	*			trans	-123.1	126.5	160.4	-98.7	154.5	0	0	0	107.8
194	N	31.5	Very low	33.9	Very low	131 Å²	131	146.1 Å²	146.1	70%	0.701	81%	0.809	S	S	*	*			trans	71.1	101.4	154.9	-61	-10.4	0	0	0	119.2
195	N	35.4	Very low	34.2	Very low	157 Å²	157	141 Å²	141	84%	0.84	80%	0.799	S	S	*	*				-177.2	137.2	96	-91.6	-21.1	0	0	0	113.7
196	S	35.8	Very low	34.4	Very low	111 Å²	111	144.8 Å²	144.8	78%	0.776	80%	0.797	S	S	*	*			trans	63.6	98.7	152.2	-69.7	0	0	0	0	122.7
197	S	35.8	Very low	34.6	Very low	111 Å²	111	142 Å²	142	78%	0.776	79%	0.791	S	S	*	*				44.5	104.6	119.5	-57.5	0	0	0	0	121.8
198	K	33.8	Very low	34.7	Very low	190 Å²	190	143 Å²	143	83%	0.826	79%	0.787	S	S	*	*				38.5	121	123.7	-63.6	178.5	-179.3	175.6	0	119.1
199	N	37.2	Very low	35.1	Very low	172 Å²	172	139.6 Å²	139.6	92%	0.92	78%	0.775	S	S	*	*				-150	140.7	121.4	-96.2	-25.4	0	0	0	112
200	I	32.4	Very low	35.4	Very low	142 Å²	142	141.8 Å²	141.8	73%	0.728	77%	0.774	S	S	*	*			trans	-87.9	142.7	-171.6	-67.6	156	0	0	0	109.3
201	V	37.5	Very low	35.5	Very low	144 Å²	144	139.5 Å²	139.5	87%	0.873	77%	0.771	S	S	*	*			trans	-162.3	135.5	130.9	172.6	0	0	0	0	108.4
202	S	31.8	Very low	35.7	Very low	97 Å²	97	142.3 Å²	142.3	68%	0.678	77%	0.77	S	S	*	*			trans	-113.4	175.7	177.2	51.6	0	0	0	0	110.4
203	S	37.8	Very low	36	Very low	112 Å²	112	141.6 Å²	141.6	78%	0.783	77%	0.767	S	S	*	*			trans	93.2	131.4	175.9	75.5	0	0	0	0	114.3
204	S	38.4	Very low	36.1	Very low	97 Å²	97	138.7 Å²	138.7	68%	0.678	76%	0.76	S	S	*	*			cis	-176.8	150.7	9.7	27.8	0	0	0	0	111.1
205	S	38.7	Very low	36.4	Very low	100 Å²	100	137.1 Å²	137.1	70%	0.699	76%	0.759	S	S	*	*			trans	58.7	145	141.6	57.7	0	0	0	0	120.8
206	K	38.1	Very low	36.5	Very low	180 Å²	180	136.3 Å²	136.3	78%	0.783	75%	0.754	S	S	*	*			cis	-179	154.6	14.8	-115.1	168.2	-176.4	177.3	0	109.2
207	L	36.3	Very low	36.6	Very low	143 Å²	143	136.6 Å²	136.6	75%	0.749	75%	0.747	S	S	*	*			trans	70.4	112.2	143.2	-63.4	159.9	0	0	0	119.5
208	N	34	Very low	36.8	Very low	137 Å²	137	138.1 Å²	138.1	73%	0.733	74%	0.742	S	S	*	*				67.8	115.8	78.8	-96	29.5	0	0	0	115.4
209	D	38.5	Very low	36.9	Very low	105 Å²	105	136 Å²	136	56%	0.561	74%	0.739	S	S	*	*				147.7	138.2	97.3	-107.7	6	0	0	0	113.8
210	K	39	Very low	36.7	Very low	169 Å²	169	134.2 Å²	134.2	74%	0.735	73%	0.729	S	S	*	*			trans	72.6	149.8	144.4	-68.4	166.2	-176.4	139.3	0	118.5
211	N	34	Very low	36.8	Very low	144 Å²	144	134 Å²	134	77%	0.77	73%	0.727	S	S	*	*			cis	175.2	136.2	-20.1	-121.7	-5.8	0	0	0	103.8
212	E	37.2	Very low	36.6	Very low	182 Å²	182	134.2 Å²	134.2	85%	0.85	72%	0.718	S	S	*	*			trans	179.6	106.5	147.9	-104.3	171.8	177.7	0	0	108.5
213	K	38.1	Very low	36.7	Very low	196 Å²	196	136.6 Å²	136.6	85%	0.852	72%	0.719	S	S	*	*				60.1	135.5	95.9	-86.7	-175.3	172.9	175.8	0	113.4
214	S	37	Very low	36.4	Very low	93 Å²	93	136 Å²	136	65%	0.65	71%	0.71	S	S	*	*			cis	-179.8	152.7	2.7	47	0	0	0	0	109.6
215	S	37.7	Very low	36.1	Very low	97 Å²	97	139.4 Å²	139.4	68%	0.678	72%	0.715	S	S	*	*			trans	66.1	149	134.6	62.6	0	0	0	0	120.5
216	L	37.4	Very low	36	Very low	141 Å²	141	140.3 Å²	140.3	74%	0.738	72%	0.722	S	S	*	*			cis	-169.5	142.4	6.5	-137	72.6	0	0	0	106
217	D	37.8	Very low	35.6	Very low	116 Å²	116	138.1 Å²	138.1	62%	0.62	72%	0.723	S	S	*	*				132	146.6	105.7	-97.7	-14.6	0	0	0	107.5
218	Q	39.5	Very low	35.5	Very low	143 Å²	143	141.1 Å²	141.1	67%	0.668	73%	0.73	S	S	*	*			cis	-165	132.8	8.7	-112	161.1	30.4	0	0	109
219	N	35.8	Very low	35.2	Very low	145 Å²	145	146 Å²	146	78%	0.775	74%	0.738	S	S	*	*				39.4	158.1	127.9	-61.3	-20.1	0	0	0	123
220	L	33.4	Very low	35	Very low	136 Å²	136	153 Å²	153	71%	0.712	76%	0.757	S	S	*	*			cis	176.8	134.9	-24.6	-165.2	86.5	0	0	0	106.6
221	M	35.1	Very low	34.7	Very low	137 Å²	137	153.6 Å²	153.6	68%	0.675	76%	0.762	S	S	*	*			trans	59.3	146	140.3	-78.6	175	173.3	0	0	127.5
222	E	33.2	Very low	34.7	Very low	148 Å²	148	154.8 Å²	154.8	69%	0.692	77%	0.767	S	S	*	*			trans	74.6	146.4	137.3	-80.2	166.1	-171.1	0	0	119.1
223	E	33.3	Very low	34.5	Very low	148 Å²	148	150.3 Å²	150.3	69%	0.692	76%	0.756	S	S	*	*			cis	-169.7	150.3	-6.8	-131.5	177.6	-177.7	0	0	108.7
224	T	31.1	Very low	34.2	Very low	99 Å²	99	151.9 Å²	151.9	61%	0.607	76%	0.756	S	S	*	*			trans	44.3	139.7	141.3	57.4	0	0	0	0	128.3
225	H	33.4	Very low	34	Very low	169 Å²	169	151.9 Å²	151.9	78%	0.782	76%	0.756	S	S	*	*			trans	85.9	122.7	133.5	-73.3	-47.9	0	0	0	124.6
226	S	35.3	Very low	33.9	Very low	119 Å²	119	156.2 Å²	156.2	83%	0.832	76%	0.763	S	S	*	*				120.9	141.4	122.7	-77.3	0	0	0	0	121.7
227	V	29.7	Very low	33.6	Very low	134 Å²	134	154.9 Å²	154.9	81%	0.812	77%	0.765	S	S	*	*			trans	-85.9	146.3	-171.9	170.4	0	0	0	0	112.8
228	K	34.1	Very low	33.6	Very low	206 Å²	206	155 Å²	155	90%	0.896	77%	0.772	S	S	*	*			trans	-175.2	136.9	136.7	-103.6	163.9	-173.1	177.1	0	114.6
229	R	29.5	Very low	33.4	Very low	240 Å²	240	156.7 Å²	156.7	91%	0.906	78%	0.78	S	S	*	*			trans	-66.4	151.6	168.7	-81.9	176.5	175.5	171.3	-1.3	112.4
230	R	33.6	Very low	33.2	Very low	252 Å²	252	155.2 Å²	155.2	95%	0.951	78%	0.776	S	S	*	*				-171.8	142.3	118.3	-105	171.7	-179.7	171	-0.1	112.7
231	Q	33.2	Very low	32.9	Very low	181 Å²	181	156.1 Å²	156.1	85%	0.846	78%	0.781	S	S	*	*			trans	-69.4	160	173	-64.4	167.9	-43.4	0	0	111.2
232	I	33.9	Very low	32.8	Very low	168 Å²	168	159.3 Å²	159.3	86%	0.862	79%	0.791	S	S	*	*				-179.1	146.2	116.3	-84.8	153	0	0	0	109.9
233	S	32	Very low	32.3	Very low	89 Å²	89	158.3 Å²	158.3	62%	0.622	80%	0.795	S	S	*	*			trans	-72.6	164.6	-168.7	57.1	0	0	0	0	118.2
234	R	31.8	Very low	32.3	Very low	229 Å²	229	160.7 Å²	160.7	86%	0.864	81%	0.806	S	S	*	*				133.7	109.1	123.3	-92.3	174.3	169.9	172.6	-3.5	116.5
235	S	32.8	Very low	32	Very low	93 Å²	93	163.4 Å²	163.4	65%	0.65	82%	0.817	S	S	*	*				71.4	123.5	121.6	75.2	0	0	0	0	122
236	K	35.3	Very low	31.6	Very low	188 Å²	188	159.7 Å²	159.7	82%	0.817	81%	0.811	S	S	*	*				146.4	101.5	116.8	-79.5	-175.9	-177.8	179.8	0	113.4
237	S	32.9	Very low	31.2	Very low	113 Å²	113	164.4 Å²	164.4	79%	0.79	81%	0.81	S	S	*	*				39.8	155.9	124.7	69.9	0	0	0	0	123.6
238	P	36.5	Very low	31.1	Very low	118 Å²	118	164.1 Å²	164.1	77%	0.766	80%	0.8	S	S	*	*			trans	-113.2	178.7	-141.6	43.4	-34.8	0	0	0	114.8
239	Q	36.7	Very low	30.7	Very low	179 Å²	179	163.8 Å²	163.8	84%	0.836	79%	0.794	S	S	*	*			trans	-171.5	140.4	145.6	-105.3	167.2	26.2	0	0	115.1
240	T	31.5	Very low	30.8	Very low	113 Å²	113	160 Å²	160	69%	0.693	79%	0.79	S	S	*	*			trans	67.2	109.9	144.7	51.6	0	0	0	0	121.1
241	L	26.2	Very low	30.3	Very low	155 Å²	155	157.3 Å²	157.3	81%	0.812	79%	0.786	S	S	*	*				71.4	111.2	86.4	-90.3	151.9	0	0	0	114.9
242	K	32.7	Very low	30.3	Very low	205 Å²	205	154.1 Å²	154.1	89%	0.891	78%	0.784	S	S	*	*				175.8	131.6	120	-93.4	167.8	-174.1	-176.9	0	112.8
243	T	22.8	Very low	30.1	Very low	126 Å²	126	149.7 Å²	149.7	77%	0.773	78%	0.779	S	S	*	*			trans	-78.3	142	172.3	12.1	0	0	0	0	111.7
244	Q	32.6	Very low	30.1	Very low	198 Å²	198	150.8 Å²	150.8	93%	0.925	79%	0.787	S	S	*	*			trans	-167.1	132.6	136.3	-115.2	173.3	-21.9	0	0	112.2
245	N	25.8	Very low	30	Very low	156 Å²	156	148.7 Å²	148.7	83%	0.834	79%	0.787	S	S	*	*			trans	-68.3	163.7	177.2	-61	-29.3	0	0	0	112.1
246	S	24.5	Very low	29.9	Very low	92 Å²	92	149.5 Å²	149.5	64%	0.643	79%	0.792	S	S	*	*				153.5	119.7	122.6	176.8	0	0	0	0	115.5
247	W	27.9	Very low	29.6	Very low	217 Å²	217	146 Å²	146	82%	0.822	79%	0.787	S	S	*	*			trans	68.9	152.1	143.9	-64.2	43.5	0	0	0	117.9
248	E	27.4	Very low	29.4	Very low	128 Å²	128	148.7 Å²	148.7	60%	0.598	79%	0.791	S	S	*	*			cis	-171.6	155.2	-13.2	-109.9	-169.8	160.6	0	0	105.8
249	Y	25.4	Very low	29.2	Very low	199 Å²	199	146.6 Å²	146.6	78%	0.78	79%	0.791	S	S	*	*			trans	48.5	131.9	148.9	-85.5	-100.8	0	0	0	122.7
250	I	30.9	Very low	28.8	Very low	160 Å²	160	147.4 Å²	147.4	82%	0.821	79%	0.791	S	S	*	*				179.3	130.8	111.7	-83.9	153	0	0	0	110.8
251	K	25	Very low	28.7	Very low	197 Å²	197	149 Å²	149	86%	0.857	80%	0.796	S	S	*	*			trans	-86.6	145.1	167.3	-86.7	174.1	169	175.3	0	110.3
252	S	31.5	Very low	28.7	Very low	114 Å²	114	149.2 Å²	149.2	80%	0.797	80%	0.797	S	S	*	*			trans	171.8	118.8	139.9	41.9	0	0	0	0	110.8
253	G	30.2	Very low	28.6	Very low	74 Å²	74	145.3 Å²	145.3	76%	0.763	80%	0.795	S	S	*	*				93.6	146.3	109.7	0	0	0	0	0	111.1
254	S	32.9	Very low	28.8	Very low	112 Å²	112	142.8 Å²	142.8	78%	0.783	80%	0.795	S	S	*	*			cis	-170.9	137.2	13.3	-37.7	0	0	0	0	109
255	Q	28.2	Very low	28.6	Very low	186 Å²	186	143.8 Å²	143.8	87%	0.869	80%	0.796	S	S	*	*				51.2	153.4	129.1	-75.3	-175.4	-6.8	0	0	126
256	S	32.2	Very low	28.7	Very low	110 Å²	110	142.8 Å²	142.8	77%	0.769	79%	0.79	S	S	*	*			trans	93.4	145.7	157	83.5	0	0	0	0	117.4
257	T	28.9	Very low	28.8	Very low	115 Å²	115	144.7 Å²	144.7	71%	0.706	79%	0.789	S	S	*	*			cis	-169.7	149.7	-44	18.2	0	0	0	0	107.3
258	I	28.2	Very low	28.8	Very low	169 Å²	169	143.6 Å²	143.6	87%	0.867	78%	0.784	S	S	*	*			trans	72.1	125.6	148.2	-61	154.2	0	0	0	119.5
259	G	31.1	Very low	28.9	Very low	74 Å²	74	141.7 Å²	141.7	76%	0.763	79%	0.786	S	S	*	*			trans	165.8	98	158.4	0	0	0	0	0	114.5
260	K	28.9	Very low	29	Very low	196 Å²	196	137.9 Å²	137.9	85%	0.852	78%	0.777	S	S	*	*			trans	-71.1	149.2	-175.4	-63.3	165.1	175.7	171.7	0	113.2
261	N	30.5	Very low	28.9	Very low	146 Å²	146	138.1 Å²	138.1	78%	0.781	78%	0.78	S	S	*	*			trans	174.9	106.4	134.7	-85.3	-22.1	0	0	0	109.4
262	L	26.3	Very low	29.1	Very low	159 Å²	159	133.1 Å²	133.1	83%	0.832	77%	0.769	S	S	*	*				64.6	96.3	97.4	-91.9	148.2	0	0	0	114.3
263	S	29.7	Very low	28.8	Very low	123 Å²	123	139.6 Å²	139.6	86%	0.86	78%	0.776	S	S	*	*				160	130.6	119.8	65.4	0	0	0	0	112.5
264	G	27.4	Very low	28.9	Very low	74 Å²	74	141.1 Å²	141.1	76%	0.763	78%	0.775	S	S	*	*			trans	102.1	95.7	134.8	0	0	0	0	0	119.6
265	F	27.4	Very low	28.7	Very low	219 Å²	219	144.5 Å²	144.5	96%	0.961	78%	0.779	S	S	*	*			trans	85.8	106.1	142.2	-112.6	-100.1	0	0	0	120.6
266	L	27.8	Very low	28.9	Very low	135 Å²	135	141 Å²	141	71%	0.707	78%	0.775	S	S	*	*			trans	-76.9	150.4	174.6	-84.2	158.8	0	0	0	112.7
267	E	28	Very low	28.7	Very low	131 Å²	131	141.1 Å²	141.1	61%	0.612	77%	0.774	S	S	*	*			trans	73.8	143.3	136	-74.7	174.4	162.8	0	0	118.9
268	R	28	Very low	28.9	Very low	194 Å²	194	143.1 Å²	143.1	73%	0.732	78%	0.781	S	S	*	*			cis	-166.3	145	25.2	-133.9	167.1	-116.5	-159.6	-5.6	111.2
269	S	29.4	Very low	29	Very low	89 Å²	89	144.1 Å²	144.1	62%	0.622	78%	0.775	S	S	*	*			trans	50.5	113.4	144.8	51.7	0	0	0	0	119.4
270	I	26	Very low	28.8	Very low	118 Å²	118	147.7 Å²	147.7	61%	0.605	78%	0.776	S	S	*	*				44.7	98.8	53.3	-42.6	177.6	0	0	0	112.5
271	L	29.7	Very low	28.8	Very low	166 Å²	166	144.2 Å²	144.2	87%	0.869	78%	0.776	S	S	*	*			trans	-131.6	100.2	156.2	-78.8	174.6	0	0	0	110
272	S	28.4	Very low	28.7	Very low	92 Å²	92	148 Å²	148	64%	0.643	78%	0.779	S	S	*	*			trans	-64.9	139.9	155.9	46.9	0	0	0	0	110.5	S274	S272-S274 PolarHBondContact O-N 2.78Å
273	R	25.8	Very low	28.9	Very low	250 Å²	250	146.4 Å²	146.4	94%	0.943	78%	0.777	S	S	*	*			trans	-13.2	115.9	153	-169.5	175.7	174.3	-161.9	-1.3	114.3
274	S	31.3	Very low	29	Very low	105 Å²	105	145.4 Å²	145.4	73%	0.734	77%	0.769	S	S	*	*			trans	-147.6	118.1	162.1	63.7	0	0	0	0	111.5	S272	S272-S274 PolarHBondContact O-N 2.78Å
275	Q	29.3	Very low	29.4	Very low	184 Å²	184	148.7 Å²	148.7	86%	0.86	77%	0.774	S	S	*	*			trans	-55.6	140.9	153.5	-65.2	162.2	-27.7	0	0	109
276	S	33.8	Very low	29.6	Very low	113 Å²	113	143.2 Å²	143.2	79%	0.79	76%	0.763	S	S	*	*			trans	163.3	125.3	135	58.2	0	0	0	0	111.5
277	C	27.6	Very low	30.1	Very low	112 Å²	112	144.1 Å²	144.1	76%	0.757	77%	0.768	S	S	*	*			trans	-58.7	145.3	148.6	-65.2	0	0	0	0	108.6
278	D	32.9	Very low	30.6	Very low	157 Å²	157	146 Å²	146	84%	0.84	77%	0.774	S	S	*	*				169.5	151.6	122.9	-81	-21.1	0	0	0	113.5
279	Y	29.3	Very low	30.9	Very low	189 Å²	189	142.6 Å²	142.6	74%	0.741	77%	0.77	S	S	*	*			trans	-75.3	152.2	-167.9	-91.5	-110.4	0	0	0	114.5
280	L	26.6	Very low	31.2	Very low	150 Å²	150	145 Å²	145	79%	0.785	78%	0.776	S	S	*	*			trans	22	123.1	143.2	-63.7	172.8	0	0	0	119.6
281	S	29.7	Very low	31.7	Very low	123 Å²	123	147.6 Å²	147.6	86%	0.86	79%	0.786	S	S	*	*			trans	169.6	152.8	132.2	-74.9	0	0	0	0	107.6
282	R	29	Very low	31.7	Very low	224 Å²	224	146.7 Å²	146.7	85%	0.845	78%	0.777	S	S	*	*			cis	176.5	167	-15.6	-174.5	178.3	-129.4	-140	3.1	103.5
283	T	30.3	Very low	31.9	Very low	127 Å²	127	149.5 Å²	149.5	78%	0.779	78%	0.778	S	S	*	*			trans	91.9	140.3	162.9	67.5	0	0	0	0	117
284	S	31	Very low	32.2	Very low	101 Å²	101	145.6 Å²	145.6	71%	0.706	77%	0.768	S	S	*	*			cis	177.3	136.3	-13.3	47.4	0	0	0	0	107.1
285	V	36.1	Very low	32.1	Very low	143 Å²	143	147.3 Å²	147.3	87%	0.867	77%	0.765	S	S	*	*			trans	-152.4	96.8	155	-173	0	0	0	0	106.1
286	S	32.9	Very low	32.2	Very low	105 Å²	105	146 Å²	146	73%	0.734	76%	0.756	S	S	*	*				62.4	113.6	94.5	-167.2	0	0	0	0	114.9
287	L	37.9	Very low	32.1	Very low	153 Å²	153	144.9 Å²	144.9	80%	0.801	75%	0.748	S	S	*	*			trans	176.2	105	141.3	-87.9	172.8	0	0	0	106
288	K	37.2	Very low	32.5	Very low	172 Å²	172	147.2 Å²	147.2	75%	0.748	75%	0.745	S	S	*	*				56.6	127.8	105.9	-74	-166.4	173.9	-170.5	0	113.7
289	D	35.1	Very low	32.4	Very low	121 Å²	121	149.9 Å²	149.9	65%	0.647	74%	0.744	S	S	*	*			cis	-164.4	165.8	9.9	-84.5	-35.2	0	0	0	108.2
290	N	35.5	Very low	32.7	Very low	140 Å²	140	150.1 Å²	150.1	75%	0.749	75%	0.748	S	S	*	*			trans	86.8	108.1	154	-59.6	-22.3	0	0	0	121.3
291	E	36.4	Very low	32.9	Very low	173 Å²	173	153.6 Å²	153.6	81%	0.808	75%	0.751	S	S	*	*				48	143.5	121.2	-65.5	-164.3	172.2	0	0	119.7
292	E	30.7	Very low	33.3	Very low	147 Å²	147	157 Å²	157	69%	0.687	75%	0.753	S	S	*	*			cis	-176.5	170.3	-11.8	-167.7	-173.9	179.6	0	0	103
293	F	31.6	Very low	33.3	Very low	151 Å²	151	152.6 Å²	152.6	66%	0.662	75%	0.746	S	S	*	*			trans	85.7	95.1	164.8	-80.5	-92.9	0	0	0	121.4
294	K	31.9	Very low	33.4	Very low	167 Å²	167	153.3 Å²	153.3	73%	0.726	74%	0.744	S	S	*	*				52.1	123.3	116.4	-74.8	-174.2	179.1	172.8	0	121.6
295	E	29.7	Very low	33.6	Very low	142 Å²	142	160.6 Å²	160.6	66%	0.664	76%	0.756	S	S	*	*				77.1	131.7	129.9	-88.6	-166	139.9	0	0	122
296	K	30.6	Very low	33.2	Very low	157 Å²	157	160.7 Å²	160.7	68%	0.683	75%	0.751	S	S	*	*			trans	75.5	102.4	139	-72.7	168.7	177.7	146	0	117.6
297	S	31.5	Very low	33.1	Very low	89 Å²	89	163.2 Å²	163.2	62%	0.622	75%	0.749	S	S	*	*				120.3	147.7	104	84.8	0	0	0	0	117.2
298	K	36.2	Very low	32.8	Very low	161 Å²	161	165.8 Å²	165.8	70%	0.7	75%	0.748	S	S	*	*			trans	91.7	112.1	146.1	-70.5	163.1	-168.6	174.2	0	118.8
299	R	31.9	Very low	32.8	Very low	212 Å²	212	165.5 Å²	165.5	80%	0.8	75%	0.753	S	S	*	*				72.5	128.4	123	-69	172.4	174.2	172.9	-3.8	114.9
300	K	34.7	Very low	32.5	Very low	194 Å²	194	166 Å²	166	84%	0.843	76%	0.761	S	S	*	*			cis	-168.9	135.1	49.8	-129.5	163.5	-177.7	-178.6	0	109.3
301	R	31.8	Very low	32.3	Very low	224 Å²	224	168.1 Å²	168.1	85%	0.845	76%	0.763	S	S	*	*			trans	-72.1	147.8	165.6	-61.4	171.1	-172.3	156.3	0.7	109.3
302	H	37.6	Very low	32.1	Very low	194 Å²	194	169.4 Å²	169.4	90%	0.898	77%	0.766	S	S	*	*			trans	-141.9	115.5	141.5	-109.8	-69.1	0	0	0	110.6
303	L	29.6	Very low	32.1	Very low	132 Å²	132	170 Å²	170	69%	0.691	77%	0.774	S	S	*	*			trans	-100.8	155.6	175.1	-130.5	121.4	0	0	0	107.6
304	L	32.5	Very low	32.3	Very low	142 Å²	142	172.2 Å²	172.2	74%	0.743	78%	0.783	S	S	*	*			trans	82.4	120.2	158.3	-56.1	158.5	0	0	0	118.8
305	R	35.1	Very low	32.3	Very low	254 Å²	254	169 Å²	169	96%	0.958	78%	0.782	S	S	*	*				-165.8	118.1	108.2	-107.8	174.8	173.1	176.4	-2.2	113.6
306	L	27.8	Very low	32.3	Very low	144 Å²	144	170 Å²	170	75%	0.754	78%	0.784	S	S	*	*			trans	-73.7	164.6	162.5	-80.3	148.9	0	0	0	111.7
307	K	31	Very low	32.2	Very low	159 Å²	159	170.7 Å²	170.7	69%	0.691	79%	0.787	S	S	*	*			trans	113	120.7	140.3	-82.6	165	-174.4	-178.1	0	119.4
308	R	31.4	Very low	32	Very low	207 Å²	207	170.7 Å²	170.7	78%	0.781	79%	0.787	S	S	*	*			trans	77.8	135.5	142.2	-59.3	164.3	-179.6	168.2	-3.6	114.9
309	L	35.6	Very low	31.6	Very low	165 Å²	165	170 Å²	170	86%	0.864	79%	0.791	S	S	*	*				-161.8	140.3	54	-78.2	160.8	0	0	0	112.7
310	V	30	Very low	31.5	Very low	132 Å²	132	168.8 Å²	168.8	80%	0.8	80%	0.795	S	S	*	*			trans	-73.3	140.1	158.8	174.1	0	0	0	0	109.5
311	K	30.2	Very low	31.2	Very low	185 Å²	185	169.3 Å²	169.3	80%	0.804	80%	0.797	S	S	*	*			trans	135.1	112.6	150.1	-89.6	176	169.4	168.1	0	113.7
312	K	33.9	Very low	30.9	Very low	199 Å²	199	168.2 Å²	168.2	87%	0.865	80%	0.799	S	S	*	*				166.8	125.3	99.2	-105.4	162.4	-179	-179.2	0	112.2
313	N	30	Very low	30.5	Very low	159 Å²	159	162.1 Å²	162.1	85%	0.85	78%	0.782	S	S	*	*			trans	-59.2	152.1	163.1	-70.3	-20.3	0	0	0	112.6
314	K	36.5	Very low	30.4	Very low	198 Å²	198	161.1 Å²	161.1	86%	0.861	79%	0.786	S	S	*	*			trans	-179.4	93.8	148.5	-98.3	169.3	-175.3	-167.2	0	106.8
315	S	30.7	Very low	30.3	Very low	99 Å²	99	162.1 Å²	162.1	69%	0.692	79%	0.792	S	S	*	*				60.2	116	86.8	84.2	0	0	0	0	115.6
316	F	29	Very low	30	Very low	165 Å²	165	157.5 Å²	157.5	72%	0.724	78%	0.781	S	S	*	*			trans	146.9	111.6	134.1	-101.5	-113.8	0	0	0	109.6
317	K	28.9	Very low	30.3	Very low	170 Å²	170	158.1 Å²	158.1	74%	0.739	78%	0.782	S	S	*	*				62.8	129	100.3	-69.8	-163.7	-168.4	178	0	111.4
318	S	28.3	Very low	30.8	Very low	90 Å²	90	156.5 Å²	156.5	63%	0.629	78%	0.781	S	S	*	*			cis	179.5	156.9	21.5	43.5	0	0	0	0	108.6
319	N	26.8	Very low	31.5	Very low	146 Å²	146	153.5 Å²	153.5	78%	0.781	78%	0.776	S	S	*	*			trans	68.5	106.7	150.9	-54.8	-14.6	0	0	0	117.9
320	Q	30.5	Very low	32.5	Very low	186 Å²	186	149.9 Å²	149.9	87%	0.869	76%	0.757	S	S	*	*				-174	126.6	101.3	-98.6	174.7	33.6	0	0	110.8	K322	Q320-K322 PolarHBondContact O-N 3.12Å
321	F	28	Very low	34.1	Very low	206 Å²	206	144.5 Å²	144.5	90%	0.904	72%	0.724	S	S	*	*			trans	-55.6	122.2	156.7	-90.9	-106.2	0	0	0	109.3
322	K	26.2	Very low	36.2	Very low	201 Å²	201	140.7 Å²	140.7	87%	0.874	71%	0.709	S	S	*	*			trans	159.8	99	150.9	-93.5	167	-178.6	-177.6	0	108.6	Q320	Q320-K322 PolarHBondContact O-N 3.12Å
323	A	28.7	Very low	38.7	Very low	65 Å²	65	131.7 Å²	131.7	54%	0.537	67%	0.673	S	S	.	*			trans	-177.9	42.2	154.1	0	0	0	0	0	111.7	N325 E326	A323-N325 PolarHBondContact O-N 3.4Å; A323-E326 HydrophobicContact CB-CB 4.23Å
324	S	27.1	Very low	41.6	Very low	112 Å²	112	127 Å²	127	78%	0.783	65%	0.646	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.3	81.5	155.5	50.8	0	0	0	0	106.4
325	N	29.9	Very low	44.3	Very low	162 Å²	162	117.5 Å²	117.5	87%	0.866	61%	0.605	S	S	*	*	T	Hydrogen-bonded Turn	trans	168.4	10.9	164.1	-85.1	-9.8	0	0	0	114.8	A323	A323-N325 PolarHBondContact O-N 3.4Å
326	E	30.5	Very low	47.2	Very low	157 Å²	157	113.1 Å²	113.1	73%	0.734	57%	0.573	S	S	*	*			trans	-114.5	38.6	-165	-145.4	173.2	-145.6	0	0	114.7	A323	A323-E326 HydrophobicContact CB-CB 4.23Å
327	M	33.1	Very low	50.2	Low	158 Å²	158	105.2 Å²	105.2	78%	0.778	54%	0.539	S	S	*	.			trans	-119.2	18.4	-177.8	-71.9	-72.3	-77.3	0	0	114.4
328	D	42	Very low	53.1	Low	124 Å²	124	97.8 Å²	97.8	66%	0.663	51%	0.508	S	S	*	.			trans	-106.2	6.3	-168	-97.8	-21.9	0	0	0	116.7	N460	D328-N460 PolarHBondContact OD1-ND2 2.86Å
329	E	46.5	Very low	56	Low	145 Å²	145	93.7 Å²	93.7	68%	0.678	48%	0.479	S	S	*	.			trans	-113.2	4.1	-161.4	-76.8	-170.3	152.8	0	0	118.6	T331 H332	E329-T331 PolarHBondContact O-N 2.94Å; E329-H332 PolarHBondContact O-NE2 2.99Å
330	L	56.7	Low	58.8	Low	88 Å²	88	92.4 Å²	92.4	46%	0.461	47%	0.468	S	S	.	.	S	Bend	trans	-89.8	11.2	-165.2	-52.6	106.7	0	0	0	116.5	E361	L330-E361 WeakPolarHBondContact CA-OE1 3.31Å; L330-E361 HydrophobicContact CB-CG 4.26Å; L330-E361 WeakPolarHBondContact CB-OE1 3.47Å; L330-E361 WeakPolarHBondContact CD2-OE1 3.45Å; L330-E361 WeakPolarHBondContact CD2-OE2 3.47Å; L330-E361 WeakPolarHBondContact CG-OE1 3.44Å
331	T	63	Low	61.5	Low	19 Å²	19	85.2 Å²	85.2	12%	0.117	43%	0.434	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	121.8	-179.6	-61.3	0	0	0	0	109.4	E329 I432 L455	E329-T331 PolarHBondContact O-N 2.94Å; T331-I432 WeakPolarHBondContact CG2-O 3.47Å; T331-L455 HydrophobicContact CG2-CB 4.26Å
332	H	73.5	Confident	64.2	Low	105 Å²	105	78 Å²	78	49%	0.486	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	142.8	178.2	-60.5	-69.9	0	0	0	111.1	E329 N357 L358 A359	E329-H332 PolarHBondContact O-NE2 2.99Å; H332-N357 CarbonylContact C-O 3.33Å; H332-N357 VanDerWaalsContact O-O 3.11Å; H332-L358 WeakPolarHBondContact O-CA 3.36Å; H332-A359 HydrophobicContact CB-CB 4.23Å; H332-A359 PolarHBondContact N-O 2.82Å; H332-A359 PolarHBondContact O-N 2.84Å
333	G	86.7	Confident	66.9	Low	10 Å²	10	73.2 Å²	73.2	10%	0.103	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	147	164.6	173.4	0	0	0	0	0	112	N356 N357 L455	G333-N356 CarbonylContact C-O 3.51Å; G333-N356 VanDerWaalsContact CA-O 3.22Å; G333-N356 WeakPolarHBondContact CA-O 3.36Å; G333-N357 WeakPolarHBondContact CA-O 3.18Å; G333-N357 PolarHBondContact N-O 2.99Å; G333-L455 WeakPolarHBondContact O-CB 3.4Å; G333-L455 PolarHBondContact O-N 2.83Å
334	E	92.1	Very high	69.4	Low	60 Å²	60	78.1 Å²	78.1	28%	0.28	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	149.4	-179.6	-55.5	-171.7	153	0	0	109.2	A355 N356 F453 R454	E334-A355 CarbonylContact O-C 3.54Å; E334-A355 VanDerWaalsContact O-CA 3.27Å; E334-A355 WeakPolarHBondContact O-CA 3.37Å; E334-N356 PolarHBondContact N-O 2.8Å; E334-N356 PolarHBondContact O-N 2.99Å; E334-F453 CarbonylContact C-O 3.56Å; E334-F453 VanDerWaalsContact CA-O 3.26Å; E334-F453 WeakPolarHBondContact CA-O 3.35Å; E334-R454 HydrophobicContact CG-CG 4.04Å; E334-R454 WeakPolarHBondContact OE1-CG 3.49Å; E334-R454 IonicContact OE1-NE 2.86Å; E334-R454 PolarHBondContact OE1-NE 2.8Å
335	I	92.3	Very high	72	Confident	0 Å²	0	77.2 Å²	77.2	0%	0	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	140.4	174.7	60.3	168.3	0	0	0	110.7	V337 L352 A354 A355 I418 L420 A435 Y452 F453 L455	I335-V337 HydrophobicContact CB-CG2 4.34Å; I335-V337 HydrophobicContact CD1-CG2 3.63Å; I335-V337 HydrophobicContact CG1-CG2 3.85Å; I335-L352 HydrophobicContact CB-CD1 4.09Å; I335-L352 HydrophobicContact CD1-CD1 4.49Å; I335-A354 WeakPolarHBondContact CA-O 3.42Å; I335-A355 HydrophobicContact CG2-CB 3.95Å; I335-I418 HydrophobicContact CD1-CB 3.78Å; I335-I418 HydrophobicContact CD1-CD1 3.89Å; I335-I418 HydrophobicContact CD1-CG1 4.37Å; I335-I418 HydrophobicContact CD1-CG2 3.81Å; I335-L420 HydrophobicContact CG2-CD1 3.75Å; I335-L420 HydrophobicContact CG2-CG 4.35Å; I335-A435 HydrophobicContact CD1-CB 3.36Å; I335-A435 HydrophobicContact CG1-CB 4.02Å; I335-Y452 CarbonylContact O-C 3.56Å; I335-Y452 VanDerWaalsContact O-CA 3.27Å; I335-Y452 WeakPolarHBondContact O-CA 3.41Å; I335-F453 HydrophobicContact CD1-CB 4.48Å; I335-F453 HydrophobicContact CG1-CB 3.88Å; I335-F453 PolarHBondContact N-O 2.78Å; I335-F453 PolarHBondContact O-N 2.86Å; I335-L455 HydrophobicContact CG2-CD2 3.78Å; I335-L455 HydrophobicContact CG2-CG 4.3Å
336	D	91.6	Very high	74.6	Confident	6 Å²	6	73.7 Å²	73.7	3%	0.032	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	114.7	175.6	179.6	-0.9	0	0	0	109.7	W353 A354 R450 Y452	D336-W353 HydrophobicContact CB-CB 4.11Å; D336-W353 PolarHBondContact O-N 3.19Å; D336-A354 HydrophobicContact CB-CB 4.34Å; D336-A354 PolarHBondContact N-O 2.79Å; D336-R450 VanDerWaalsContact OD1-CB 3.24Å; D336-R450 WeakPolarHBondContact OD1-CB 3.47Å; D336-R450 WeakPolarHBondContact OD1-CD 3.22Å; D336-R450 WeakPolarHBondContact OD2-CD 3.28Å; D336-R450 IonicContact OD2-NH1 2.6Å; D336-Y452 HydrophobicContact CB-CD1 4.09Å; D336-Y452 HydrophobicContact CB-CE1 3.83Å
337	V	91.6	Very high	77.3	Confident	0 Å²	0	69.5 Å²	69.5	0%	0	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	139.9	-172.8	-175.8	0	0	0	0	110.5	I335 M339 V350 S351 L352 I418 I437 Q451 F453	I335-V337 HydrophobicContact CB-CG2 4.34Å; I335-V337 HydrophobicContact CD1-CG2 3.63Å; I335-V337 HydrophobicContact CG1-CG2 3.85Å; V337-M339 HydrophobicContact CG1-CE 4.21Å; V337-V350 HydrophobicContact CG1-CG1 4.14Å; V337-S351 VanDerWaalsContact CA-O 3.28Å; V337-S351 WeakPolarHBondContact CA-O 3.27Å; V337-L352 HydrophobicContact CG2-CD1 4.12Å; V337-I418 HydrophobicContact CB-CD1 4.45Å; V337-I418 HydrophobicContact CG1-CD1 3.94Å; V337-I418 HydrophobicContact CG2-CD1 3.57Å; V337-I437 HydrophobicContact CG1-CD1 4.3Å; V337-Q451 PolarHBondContact N-O 2.78Å; V337-Q451 PolarHBondContact O-N 2.76Å; V337-F453 HydrophobicContact CB-CD2 4.04Å; V337-F453 HydrophobicContact CB-CE2 3.96Å; V337-F453 HydrophobicContact CG2-CD2 4.03Å; V337-F453 HydrophobicContact CG2-CE2 4.43Å
338	S	89.8	Confident	80	Confident	13 Å²	13	62 Å²	62	9%	0.091	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	157.4	165.2	62.3	0	0	0	0	111	S351 W353	S338-S351 PolarHBondContact N-O 3.5Å; S338-S351 PolarHBondContact O-N 2.83Å; S338-S351 WeakPolarHBondContact OG-CB 3.42Å; S338-W353 PolarHBondContact OG-NE1 2.87Å
339	M	88.5	Confident	82.2	Confident	5 Å²	5	56.3 Å²	56.3	3%	0.025	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	149	177.9	-55.9	178.8	-159.3	0	0	110.6	V337 G349 I416 I437 L444 L445	V337-M339 HydrophobicContact CG1-CE 4.21Å; M339-G349 CarbonylContact C-O 3.53Å; M339-G349 VanDerWaalsContact CA-O 3.28Å; M339-G349 WeakPolarHBondContact CA-O 3.32Å; M339-I416 HydrophobicContact CE-CD1 3.62Å; M339-I416 HydrophobicContact CG-CD1 4.33Å; M339-I416 HydrophobicContact SD-CD1 3.39Å; M339-I416 WeakPolarHBondContact SD-CD1 3.23Å; M339-I437 HydrophobicContact CE-CB 4.03Å; M339-I437 HydrophobicContact CE-CD1 3.73Å; M339-I437 HydrophobicContact CE-CG1 4.48Å; M339-I437 HydrophobicContact CE-CG2 3.5Å; M339-I437 VanDerWaalsContact CE-CG2 3.5Å; M339-L444 HydrophobicContact CB-CB 3.97Å; M339-L444 HydrophobicContact CE-CD1 3.62Å; M339-L444 HydrophobicContact CG-CB 4.1Å; M339-L444 HydrophobicContact CG-CD1 4.01Å; M339-L444 HydrophobicContact SD-CB 4.2Å; M339-L444 HydrophobicContact SD-CD1 4.17Å; M339-L445 HydrophobicContact CB-CD2 4.21Å
340	E	86.4	Confident	84.3	Confident	119 Å²	119	49.4 Å²	49.4	56%	0.556	25%	0.25	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-141.1	145	174.3	59.2	-175	177.2	0	0	109.2	L348 G349	E340-L348 CarbonylContact O-C 3.53Å; E340-G349 PolarHBondContact N-O 3.41Å; E340-G349 PolarHBondContact O-N 3.27Å
341	Y	87	Confident	85.9	Confident	35 Å²	35	45.6 Å²	45.6	14%	0.137	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	115.9	174.8	-174.4	-102.6	0	0	0	110.4	T343 Q346 Q347 L348 V406 R408 L411	Y341-T343 HydrophobicContact CD1-CG2 3.93Å; Y341-T343 HydrophobicContact CE1-CG2 4.02Å; Y341-T343 PolarHBondContact O-N 3.08Å; Y341-Q346 WeakPolarHBondContact OH-CA 3.44Å; Y341-Q347 CarbonylContact C-O 3.6Å; Y341-Q347 WeakPolarHBondContact CA-O 3.37Å; Y341-Q347 WeakPolarHBondContact CD2-O 3.39Å; Y341-L348 HydrophobicContact CD2-CB 4.07Å; Y341-L348 HydrophobicContact CD2-CD1 4.46Å; Y341-V406 VanDerWaalsContact CE2-O 3.23Å; Y341-V406 WeakPolarHBondContact CE2-O 3.49Å; Y341-V406 PolarHBondContact OH-O 2.89Å; Y341-R408 HydrophobicContact CE1-CB 4.22Å; Y341-R408 VanDerWaalsContact CE1-CD 3.47Å; Y341-R408 HydrophobicContact CE1-CG 4.46Å; Y341-R408 WeakPolarHBondContact OH-CA 3.33Å; Y341-R408 PolarHBondContact OH-N 3.27Å; Y341-L411 HydrophobicContact CD1-CD1 3.85Å; Y341-L411 HydrophobicContact CD2-CD1 3.66Å; Y341-L411 HydrophobicContact CD2-CD2 3.7Å; Y341-L411 HydrophobicContact CD2-CG 4.18Å; Y341-L411 HydrophobicContact CE1-CD1 3.81Å; Y341-L411 HydrophobicContact CE2-CD1 3.63Å; Y341-L411 HydrophobicContact CE2-CD2 3.71Å; Y341-L411 HydrophobicContact CE2-CG 3.93Å; Y341-L411 HydrophobicContact CG-CD1 3.76Å
342	D	84.2	Confident	87.3	Confident	55 Å²	55	44.7 Å²	44.7	29%	0.294	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	112	169.5	179.7	24.4	0	0	0	110.3	Q344 D345 Q346 Q347	D342-Q344 VanDerWaalsContact C-N 3.28Å; D342-Q344 PolarHBondContact O-N 2.89Å; D342-Q344 WeakPolarHBondContact OD1-CB 3.41Å; D342-Q344 PolarHBondContact OD1-N 2.88Å; D342-D345 VanDerWaalsContact OD2-CB 3.31Å; D342-D345 WeakPolarHBondContact OD2-CB 3.23Å; D342-D345 PolarHBondContact OD2-N 2.92Å; D342-Q346 VanDerWaalsContact O-CA 3.24Å; D342-Q346 WeakPolarHBondContact O-CA 3.5Å; D342-Q346 PolarHBondContact O-N 2.96Å; D342-Q347 PolarHBondContact N-O 2.94Å; D342-Q347 PolarHBondContact O-N 3.2Å
343	T	83.1	Confident	88.1	Confident	99 Å²	99	42.8 Å²	42.8	61%	0.607	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.5	-24.4	175.4	54.8	0	0	0	0	113.7	Y341	Y341-T343 HydrophobicContact CD1-CG2 3.93Å; Y341-T343 HydrophobicContact CE1-CG2 4.02Å; Y341-T343 PolarHBondContact O-N 3.08Å
344	Q	82.4	Confident	88.3	Confident	168 Å²	168	42.9 Å²	42.9	79%	0.785	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.7	-52.6	-177.4	-61.7	-172.2	-1.1	0	0	110.4	D342	D342-Q344 VanDerWaalsContact C-N 3.28Å; D342-Q344 PolarHBondContact O-N 2.89Å; D342-Q344 WeakPolarHBondContact OD1-CB 3.41Å; D342-Q344 PolarHBondContact OD1-N 2.88Å
345	D	81	Confident	88.3	Confident	93 Å²	93	40 Å²	40	50%	0.497	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.1	-1.4	-179.3	-65.8	-28	0	0	0	113.7	D342 Q347	D342-D345 VanDerWaalsContact OD2-CB 3.31Å; D342-D345 WeakPolarHBondContact OD2-CB 3.23Å; D342-D345 PolarHBondContact OD2-N 2.92Å; D345-Q347 VanDerWaalsContact C-N 3.32Å; D345-Q347 HydrophobicContact CB-CG 3.81Å; D345-Q347 PolarHBondContact O-N 3.06Å
346	Q	85.4	Confident	88.2	Confident	89 Å²	89	42 Å²	42	42%	0.416	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	55	46.1	-173.2	-56.2	-175.6	16.5	0	0	112.1	Y341 D342 V406	Y341-Q346 WeakPolarHBondContact OH-CA 3.44Å; D342-Q346 VanDerWaalsContact O-CA 3.24Å; D342-Q346 WeakPolarHBondContact O-CA 3.5Å; D342-Q346 PolarHBondContact O-N 2.96Å; Q346-V406 CarbonylContact O-C 3.49Å; Q346-V406 PolarHBondContact O-N 3.08Å; Q346-V406 VanDerWaalsContact O-O 3.08Å
347	Q	87.4	Confident	88.1	Confident	69 Å²	69	46.8 Å²	46.8	32%	0.322	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	132.4	-176.1	-65.6	-174.6	23.6	0	0	111.7	Y341 D342 D345 F404	Y341-Q347 CarbonylContact C-O 3.6Å; Y341-Q347 WeakPolarHBondContact CA-O 3.37Å; Y341-Q347 WeakPolarHBondContact CD2-O 3.39Å; D342-Q347 PolarHBondContact N-O 2.94Å; D342-Q347 PolarHBondContact O-N 3.2Å; D345-Q347 VanDerWaalsContact C-N 3.32Å; D345-Q347 HydrophobicContact CB-CG 3.81Å; D345-Q347 PolarHBondContact O-N 3.06Å; Q347-F404 CarbonylContact C-O 3.58Å; Q347-F404 WeakPolarHBondContact CA-O 3.3Å
348	L	88.5	Confident	88	Confident	0 Å²	0	47 Å²	47	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	108.9	171.9	174.4	68.5	0	0	0	109.2	E340 Y341 V350 L374 C403 F404 V406 L411 I416 I439 L445	E340-L348 CarbonylContact O-C 3.53Å; Y341-L348 HydrophobicContact CD2-CB 4.07Å; Y341-L348 HydrophobicContact CD2-CD1 4.46Å; L348-V350 HydrophobicContact CD2-CG2 4.43Å; L348-V350 HydrophobicContact CG-CG2 4.15Å; L348-L374 HydrophobicContact CD2-CD1 3.97Å; L348-C403 CarbonylContact O-C 3.39Å; L348-C403 WeakPolarHBondContact O-CA 3.41Å; L348-F404 HydrophobicContact CB-CB 4.39Å; L348-F404 HydrophobicContact CD2-CD2 4.43Å; L348-F404 PolarHBondContact N-O 3Å; L348-F404 PolarHBondContact O-N 2.93Å; L348-V406 HydrophobicContact CB-CG2 4.26Å; L348-V406 HydrophobicContact CD2-CG2 4.4Å; L348-L411 HydrophobicContact CB-CD2 4.35Å; L348-L411 HydrophobicContact CD1-CD2 4.27Å; L348-L411 HydrophobicContact CD2-CD2 4.3Å; L348-I416 HydrophobicContact CD2-CD1 4.23Å; L348-I439 HydrophobicContact CD1-CD1 4.32Å; L348-I439 HydrophobicContact CD2-CD1 3.33Å; L348-I439 HydrophobicContact CG-CD1 4.46Å; L348-L445 HydrophobicContact CD1-CD2 3.5Å
349	G	89.1	Confident	87.8	Confident	4 Å²	4	48.5 Å²	48.5	4%	0.041	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	131.5	169.6	0	0	0	0	0	111.1	M339 E340 V402	M339-G349 CarbonylContact C-O 3.53Å; M339-G349 VanDerWaalsContact CA-O 3.28Å; M339-G349 WeakPolarHBondContact CA-O 3.32Å; E340-G349 PolarHBondContact N-O 3.41Å; E340-G349 PolarHBondContact O-N 3.27Å; G349-V402 CarbonylContact C-O 3.53Å; G349-V402 WeakPolarHBondContact CA-O 3.5Å
350	V	90.6	Very high	87.5	Confident	0 Å²	0	50.6 Å²	50.6	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	121.4	173.9	-175.5	0	0	0	0	108.3	V337 L348 I372 S401 V402 F404 I416	V337-V350 HydrophobicContact CG1-CG1 4.14Å; L348-V350 HydrophobicContact CD2-CG2 4.43Å; L348-V350 HydrophobicContact CG-CG2 4.15Å; V350-I372 HydrophobicContact CG1-CD1 4.16Å; V350-I372 HydrophobicContact CG1-CG2 4.22Å; V350-S401 CarbonylContact O-C 3.51Å; V350-S401 WeakPolarHBondContact O-CA 3.47Å; V350-V402 HydrophobicContact CB-CG2 4Å; V350-V402 PolarHBondContact N-O 3.18Å; V350-V402 PolarHBondContact O-N 3.27Å; V350-F404 HydrophobicContact CG2-CD2 4.2Å; V350-F404 HydrophobicContact CG2-CE2 4.01Å; V350-I416 HydrophobicContact CG1-CD1 4.41Å; V350-I416 HydrophobicContact CG1-CG2 4.25Å; V350-I416 HydrophobicContact CG2-CD1 3.51Å; V350-I416 HydrophobicContact CG2-CG1 4.2Å
351	S	89.7	Confident	86.9	Confident	8 Å²	8	51 Å²	51	6%	0.056	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	127.7	179.6	-48	0	0	0	0	110.4	V337 S338 L400 S401	V337-S351 VanDerWaalsContact CA-O 3.28Å; V337-S351 WeakPolarHBondContact CA-O 3.27Å; S338-S351 PolarHBondContact N-O 3.5Å; S338-S351 PolarHBondContact O-N 2.83Å; S338-S351 WeakPolarHBondContact OG-CB 3.42Å; S351-L400 WeakPolarHBondContact CA-O 3.48Å; S351-S401 VanDerWaalsContact CB-OG 3.27Å; S351-S401 WeakPolarHBondContact CB-OG 3.4Å; S351-S401 PolarHBondContact OG-OG 2.86Å
352	L	91.7	Very high	86.4	Confident	0 Å²	0	56.9 Å²	56.9	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	110.3	169.2	178.7	65.4	0	0	0	108.2	I335 V337 A370 I372 L383 F398 D399 L400 I418	I335-L352 HydrophobicContact CB-CD1 4.09Å; I335-L352 HydrophobicContact CD1-CD1 4.49Å; V337-L352 HydrophobicContact CG2-CD1 4.12Å; L352-A370 HydrophobicContact CD2-CB 3.45Å; L352-A370 VanDerWaalsContact CD2-CB 3.45Å; L352-I372 HydrophobicContact CB-CD1 4.17Å; L352-L383 HydrophobicContact CB-CD1 4.25Å; L352-L383 HydrophobicContact CD2-CD1 4.21Å; L352-F398 HydrophobicContact CB-CB 4.5Å; L352-F398 HydrophobicContact CD2-CB 4.09Å; L352-F398 HydrophobicContact CD2-CD1 4.05Å; L352-F398 HydrophobicContact CD2-CD2 3.64Å; L352-F398 HydrophobicContact CD2-CE1 4.43Å; L352-F398 HydrophobicContact CD2-CE2 4.05Å; L352-F398 HydrophobicContact CD2-CG 3.64Å; L352-F398 HydrophobicContact CD2-CZ 4.43Å; L352-F398 HydrophobicContact CG-CB 3.99Å; L352-F398 HydrophobicContact CG-CD2 3.9Å; L352-F398 HydrophobicContact CG-CG 4Å; L352-F398 WeakPolarHBondContact O-CB 3.12Å; L352-D399 PolarHBondContact O-N 2.85Å; L352-D399 VanDerWaalsContact O-N 3.12Å; L352-L400 PolarHBondContact N-O 2.84Å; L352-L400 PolarHBondContact O-N 2.86Å; L352-L400 VanDerWaalsContact O-N 3.11Å; L352-I418 HydrophobicContact CD1-CG2 4.41Å; L352-I418 HydrophobicContact CD2-CG2 4.27Å
353	W	90.4	Very high	86.1	Confident	65 Å²	65	57.2 Å²	57.2	25%	0.246	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	-57.7	-175.7	-65.8	100.2	0	0	0	111.1	D336 S338 F398 D399 R450	D336-W353 HydrophobicContact CB-CB 4.11Å; D336-W353 PolarHBondContact O-N 3.19Å; S338-W353 PolarHBondContact OG-NE1 2.87Å; W353-F398 PolarHBondContact O-N 2.98Å; W353-D399 WeakPolarHBondContact CZ3-OD1 3.35Å; W353-D399 PolarHBondContact O-N 2.76Å; W353-R450 VanDerWaalsContact CD2-CZ 3.41Å
354	A	91.2	Very high	86.1	Confident	13 Å²	13	62 Å²	62	11%	0.107	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149	165	-175.2	0	0	0	0	0	111.6	I335 D336 A396	I335-A354 WeakPolarHBondContact CA-O 3.42Å; D336-A354 HydrophobicContact CB-CB 4.34Å; D336-A354 PolarHBondContact N-O 2.79Å; A354-A396 CarbonylContact C-O 3.51Å; A354-A396 WeakPolarHBondContact CA-O 3.47Å
355	A	92.2	Very high	86.1	Confident	0 Å²	0	54.7 Å²	54.7	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	125.5	168.2	0	0	0	0	0	107.8	E334 I335 L358 D395 A396 F398 L420	E334-A355 CarbonylContact O-C 3.54Å; E334-A355 VanDerWaalsContact O-CA 3.27Å; E334-A355 WeakPolarHBondContact O-CA 3.37Å; I335-A355 HydrophobicContact CG2-CB 3.95Å; A355-L358 HydrophobicContact CB-CD1 3.98Å; A355-L358 HydrophobicContact CB-CD2 4.06Å; A355-L358 HydrophobicContact CB-CG 4.22Å; A355-D395 CarbonylContact O-C 3.52Å; A355-D395 VanDerWaalsContact O-CA 3.31Å; A355-D395 WeakPolarHBondContact O-CA 3.14Å; A355-A396 HydrophobicContact CB-CB 4.35Å; A355-A396 PolarHBondContact N-O 3.37Å; A355-A396 PolarHBondContact O-N 3.37Å; A355-F398 HydrophobicContact CB-CE2 3.97Å; A355-L420 HydrophobicContact CB-CD1 3.77Å
356	N	91.4	Very high	86.2	Confident	41 Å²	41	51.8 Å²	51.8	22%	0.219	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	151.6	-169.8	-54.3	-33.3	0	0	0	110.7	G333 E334 L358 D395	G333-N356 CarbonylContact C-O 3.51Å; G333-N356 VanDerWaalsContact CA-O 3.22Å; G333-N356 WeakPolarHBondContact CA-O 3.36Å; E334-N356 PolarHBondContact N-O 2.8Å; E334-N356 PolarHBondContact O-N 2.99Å; N356-L358 VanDerWaalsContact C-N 3.26Å; N356-L358 PolarHBondContact O-N 3.39Å; N356-D395 WeakPolarHBondContact CA-OD1 3.24Å
357	N	88.4	Confident	86.3	Confident	107 Å²	107	51.6 Å²	51.6	57%	0.572	26%	0.258	S	S	*	.	E	Extended strand (participates in β ladder)	trans	54.1	38.9	177	-66.3	-31.3	0	0	0	113.6	H332 G333 A359 D395	H332-N357 CarbonylContact C-O 3.33Å; H332-N357 VanDerWaalsContact O-O 3.11Å; G333-N357 WeakPolarHBondContact CA-O 3.18Å; G333-N357 PolarHBondContact N-O 2.99Å; N357-A359 PolarHBondContact O-N 2.79Å; N357-D395 PolarHBondContact N-OD1 3.35Å
358	L	90.1	Very high	86.4	Confident	5 Å²	5	48.3 Å²	48.3	3%	0.026	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	119.6	179.3	-60.6	-174	0	0	0	110.6	H332 A355 N356 I365 P368 W391 T394 A396 L420 I432 L455	H332-L358 WeakPolarHBondContact O-CA 3.36Å; A355-L358 HydrophobicContact CB-CD1 3.98Å; A355-L358 HydrophobicContact CB-CD2 4.06Å; A355-L358 HydrophobicContact CB-CG 4.22Å; N356-L358 VanDerWaalsContact C-N 3.26Å; N356-L358 PolarHBondContact O-N 3.39Å; L358-I365 HydrophobicContact CB-CD1 3.85Å; L358-P368 HydrophobicContact CD1-CB 4.2Å; L358-P368 HydrophobicContact CD1-CG 4.27Å; L358-W391 HydrophobicContact CB-CH2 4.25Å; L358-W391 HydrophobicContact CB-CZ3 4.49Å; L358-W391 HydrophobicContact CD1-CH2 4.16Å; L358-W391 HydrophobicContact CD1-CZ3 3.87Å; L358-T394 VanDerWaalsContact CB-O 3.28Å; L358-T394 WeakPolarHBondContact CB-O 3.49Å; L358-T394 WeakPolarHBondContact CG-O 3.39Å; L358-T394 PolarHBondContact N-O 3.12Å; L358-A396 HydrophobicContact CD1-CB 4.45Å; L358-L420 HydrophobicContact CD1-CD1 4.16Å; L358-L420 HydrophobicContact CD2-CD1 3.74Å; L358-I432 HydrophobicContact CD1-CD1 4.42Å; L358-I432 HydrophobicContact CD2-CG2 4.35Å; L358-L455 HydrophobicContact CD2-CD1 3.4Å
359	A	84.5	Confident	86.5	Confident	44 Å²	44	49 Å²	49	36%	0.364	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	142.7	172.3	0	0	0	0	0	111.4	H332 N357	H332-A359 HydrophobicContact CB-CB 4.23Å; H332-A359 PolarHBondContact N-O 2.82Å; H332-A359 PolarHBondContact O-N 2.84Å; N357-A359 PolarHBondContact O-N 2.79Å
360	H	82.8	Confident	86.6	Confident	49 Å²	49	48.9 Å²	48.9	23%	0.227	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	128.5	176.5	-175.4	-64.9	0	0	0	108.3	K362 Y363 I365 F430 T431	H360-K362 PolarHBondContact ND1-N 2.9Å; H360-K362 PolarHBondContact O-N 2.87Å; H360-Y363 AromaticContact CE1-CD2 3.48Å; H360-Y363 VanDerWaalsContact CE1-CD2 3.48Å; H360-Y363 WeakPolarHBondContact CE1-CD2 3.49Å; H360-Y363 AromaticContact ND1-CD2 3.9Å; H360-Y363 PolarHBondContact ND1-N 3.21Å; H360-I365 HydrophobicContact CB-CD1 3.97Å; H360-I365 HydrophobicContact CB-CG1 3.93Å; H360-F430 HydrophobicContact CB-CE2 4.11Å; H360-F430 AromaticContact CD2-CD2 3.61Å; H360-F430 AromaticContact CD2-CE2 3.78Å; H360-F430 AromaticContact CG-CE2 3.76Å; H360-F430 AromaticContact NE2-CD2 3.7Å; H360-T431 PolarHBondContact CD2-O 3.33Å
361	E	74	Confident	86.6	Confident	128 Å²	128	49.7 Å²	49.7	60%	0.598	25%	0.249	S	C	*	.	S	Bend	trans	-64.6	-43.3	-168.6	-59.2	-178.3	155.7	0	0	113.8	L330	L330-E361 WeakPolarHBondContact CA-OE1 3.31Å; L330-E361 HydrophobicContact CB-CG 4.26Å; L330-E361 WeakPolarHBondContact CB-OE1 3.47Å; L330-E361 WeakPolarHBondContact CD2-OE1 3.45Å; L330-E361 WeakPolarHBondContact CD2-OE2 3.47Å; L330-E361 WeakPolarHBondContact CG-OE1 3.44Å
362	K	76	Confident	86.7	Confident	157 Å²	157	49.3 Å²	49.3	68%	0.683	25%	0.246	S	C	*	.	S	Bend	trans	-88.3	-23.7	-170.6	-167.3	171.1	180	168.2	0	114.5	H360	H360-K362 PolarHBondContact ND1-N 2.9Å; H360-K362 PolarHBondContact O-N 2.87Å
363	Y	79.2	Confident	86.4	Confident	63 Å²	63	49.7 Å²	49.7	25%	0.247	25%	0.249	C	C	.	.	S	Bend	trans	-137	130.2	-167.3	-58.3	-56.7	0	0	0	109.9	H360 I365 K424 F430	H360-Y363 AromaticContact CE1-CD2 3.48Å; H360-Y363 VanDerWaalsContact CE1-CD2 3.48Å; H360-Y363 WeakPolarHBondContact CE1-CD2 3.49Å; H360-Y363 AromaticContact ND1-CD2 3.9Å; H360-Y363 PolarHBondContact ND1-N 3.21Å; Y363-I365 PolarHBondContact O-N 3.49Å; Y363-K424 HydrophobicContact CD1-CD 4.12Å; Y363-K424 HydrophobicContact CE1-CD 3.69Å; Y363-K424 HydrophobicContact CE2-CD 4.43Å; Y363-K424 VanDerWaalsContact CZ-NZ 3.29Å; Y363-K424 PolarHBondContact OH-NZ 2.94Å; Y363-F430 HydrophobicContact CD2-CB 3.98Å; Y363-F430 HydrophobicContact CD2-CD1 4.13Å; Y363-F430 AromaticContact CD2-CD2 3.77Å; Y363-F430 HydrophobicContact CD2-CD2 3.77Å; Y363-F430 HydrophobicContact CD2-CE2 4.22Å; Y363-F430 AromaticContact CD2-CG 3.69Å; Y363-F430 HydrophobicContact CD2-CG 3.69Å; Y363-F430 HydrophobicContact CE2-CB 4.19Å; Y363-F430 HydrophobicContact CE2-CG 4.39Å; Y363-F430 HydrophobicContact CG-CD1 4.34Å; Y363-F430 HydrophobicContact CG-CD2 4.39Å; Y363-F430 HydrophobicContact CG-CE1 4.37Å; Y363-F430 HydrophobicContact CG-CE2 4.44Å; Y363-F430 HydrophobicContact CG-CG 4.32Å; Y363-F430 HydrophobicContact CG-CZ 4.39Å
364	K	81.7	Confident	86.1	Confident	200 Å²	200	46.7 Å²	46.7	87%	0.87	24%	0.238	S	C	*	.			trans	-61.8	124.8	167.2	-173.8	174.9	-178.3	176.7	0	108.7	G366	K364-G366 PolarHBondContact O-N 3.28Å
365	I	82.4	Confident	85.4	Confident	14 Å²	14	47.9 Å²	47.9	7%	0.072	24%	0.242	C	C	.	.			trans	-70.6	119.3	178.7	-57.7	176.5	0	0	0	108.1	L358 H360 Y363 W391 F430 I432	L358-I365 HydrophobicContact CB-CD1 3.85Å; H360-I365 HydrophobicContact CB-CD1 3.97Å; H360-I365 HydrophobicContact CB-CG1 3.93Å; Y363-I365 PolarHBondContact O-N 3.49Å; I365-W391 HydrophobicContact CB-CH2 4.31Å; I365-W391 HydrophobicContact CB-CZ2 4.04Å; I365-W391 HydrophobicContact CG2-CH2 3.78Å; I365-W391 HydrophobicContact CG2-CZ2 3.64Å; I365-F430 HydrophobicContact CG1-CE2 4.36Å; I365-F430 HydrophobicContact CG1-CZ 4.39Å; I365-I432 HydrophobicContact CD1-CD1 4.26Å; I365-I432 HydrophobicContact CD1-CG1 4.19Å; I365-I432 HydrophobicContact CD1-CG2 3.8Å; I365-I432 HydrophobicContact CG1-CD1 4.48Å; I365-I432 HydrophobicContact CG1-CG1 4.35Å; I365-I432 HydrophobicContact CG2-CD1 3.57Å; I365-I432 HydrophobicContact CG2-CG1 4.27Å
366	G	83.6	Confident	84.1	Confident	31 Å²	31	49.9 Å²	49.9	32%	0.32	26%	0.256	S	S	.	.			trans	-80.1	-150.2	170	0	0	0	0	0	110.2	K364 P368 W391 S422	K364-G366 PolarHBondContact O-N 3.28Å; G366-P368 VanDerWaalsContact O-CD 3.23Å; G366-P368 WeakPolarHBondContact O-CD 3.45Å; G366-W391 VanDerWaalsContact O-CE2 3.25Å; G366-W391 WeakPolarHBondContact O-CZ2 3.35Å; G366-W391 PolarHBondContact O-NE1 3.15Å; G366-S422 PolarHBondContact N-OG 3.27Å
367	L	86.8	Confident	82.9	Confident	86 Å²	86	50.4 Å²	50.4	45%	0.45	26%	0.258	S	S	.	.	S	Bend	trans	-62.1	120.5	170.3	-170.4	70	0	0	0	109.3	V385 W391 S422	L367-V385 HydrophobicContact CD1-CB 4.07Å; L367-V385 HydrophobicContact CD1-CG1 4.26Å; L367-V385 HydrophobicContact CD1-CG2 4.35Å; L367-W391 HydrophobicContact CD1-CB 3.92Å; L367-W391 HydrophobicContact CD1-CG 4.23Å; L367-S422 PolarHBondContact O-OG 3.33Å; L367-S422 VanDerWaalsContact O-OG 3.12Å
368	P	89.5	Confident	81.8	Confident	0 Å²	0	48.1 Å²	48.1	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	149.7	178.5	28.7	-30.8	0	0	0	110.7	L358 G366 V385 W391 A396 F398 I432	L358-P368 HydrophobicContact CD1-CB 4.2Å; L358-P368 HydrophobicContact CD1-CG 4.27Å; G366-P368 VanDerWaalsContact O-CD 3.23Å; G366-P368 WeakPolarHBondContact O-CD 3.45Å; P368-V385 HydrophobicContact CG-CG2 4Å; P368-V385 WeakPolarHBondContact O-CG2 3.41Å; P368-W391 VanDerWaalsContact CD-CD2 3.47Å; P368-W391 HydrophobicContact CG-CD2 4.03Å; P368-W391 HydrophobicContact CG-CE3 3.67Å; P368-W391 HydrophobicContact CG-CH2 4.37Å; P368-W391 HydrophobicContact CG-CZ3 3.88Å; P368-A396 HydrophobicContact CG-CB 3.43Å; P368-A396 VanDerWaalsContact CG-CB 3.43Å; P368-F398 HydrophobicContact CB-CZ 4.49Å; P368-I432 HydrophobicContact CB-CD1 3.9Å
369	H	90.1	Very high	80.9	Confident	15 Å²	15	51 Å²	51	7%	0.069	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	150	173.2	-68.4	-74.1	0	0	0	108.2	L420 W421	H369-L420 CarbonylContact O-C 3.42Å; H369-L420 WeakPolarHBondContact O-CA 3.38Å; H369-W421 HydrophobicContact CB-CD2 3.64Å; H369-W421 HydrophobicContact CB-CE3 3.98Å; H369-W421 HydrophobicContact CB-CG 4.25Å; H369-W421 HydrophobicContact CB-CH2 3.81Å; H369-W421 HydrophobicContact CB-CZ2 3.42Å; H369-W421 VanDerWaalsContact CB-CZ2 3.42Å; H369-W421 HydrophobicContact CB-CZ3 4.06Å; H369-W421 AromaticContact CD2-CE3 3.99Å; H369-W421 AromaticContact CD2-CH2 3.69Å; H369-W421 AromaticContact CD2-CZ3 3.54Å; H369-W421 AromaticContact CG-CH2 3.69Å; H369-W421 AromaticContact CG-CZ2 3.8Å; H369-W421 AromaticContact CG-CZ3 3.94Å; H369-W421 PolarHBondContact N-O 2.94Å; H369-W421 PolarHBondContact O-N 2.87Å
370	A	91.5	Very high	80.6	Confident	0 Å²	0	55 Å²	55	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	150.7	177.7	0	0	0	0	0	110.4	L352 L383 F398 K419 L420	L352-A370 HydrophobicContact CD2-CB 3.45Å; L352-A370 VanDerWaalsContact CD2-CB 3.45Å; A370-L383 HydrophobicContact CB-CB 4.15Å; A370-L383 PolarHBondContact N-O 2.96Å; A370-L383 PolarHBondContact O-N 3.31Å; A370-L383 VanDerWaalsContact O-O 3.08Å; A370-F398 HydrophobicContact CB-CD1 4.14Å; A370-F398 HydrophobicContact CB-CE1 3.56Å; A370-F398 HydrophobicContact CB-CE2 4.46Å; A370-F398 HydrophobicContact CB-CZ 3.75Å; A370-K419 CarbonylContact C-O 3.53Å; A370-K419 WeakPolarHBondContact CA-O 2.9Å; A370-L420 HydrophobicContact CB-CD2 3.48Å; A370-L420 VanDerWaalsContact CB-CD2 3.48Å
371	T	91.4	Very high	80.5	Confident	17 Å²	17	57.1 Å²	57.1	10%	0.104	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	130.7	166.1	58.6	0	0	0	0	109	Y381 N382 I418 K419	T371-Y381 CarbonylContact C-O 3.6Å; T371-Y381 VanDerWaalsContact CA-O 3.26Å; T371-Y381 WeakPolarHBondContact CA-O 3.19Å; T371-N382 WeakPolarHBondContact CG2-OD1 3.41Å; T371-I418 CarbonylContact O-C 3.56Å; T371-I418 VanDerWaalsContact O-CA 3.31Å; T371-I418 WeakPolarHBondContact O-CA 3.07Å; T371-K419 PolarHBondContact N-O 2.83Å; T371-K419 PolarHBondContact O-N 2.83Å
372	I	91	Very high	80.9	Confident	0 Å²	0	56.8 Å²	56.8	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	118.7	172.8	-54.5	-174.2	0	0	0	107.1	V350 L352 K380 Y381 L383 V402 F404 I416 I418	V350-I372 HydrophobicContact CG1-CD1 4.16Å; V350-I372 HydrophobicContact CG1-CG2 4.22Å; L352-I372 HydrophobicContact CB-CD1 4.17Å; I372-K380 WeakPolarHBondContact O-CA 3.17Å; I372-Y381 PolarHBondContact N-O 2.94Å; I372-Y381 PolarHBondContact O-N 3.33Å; I372-L383 HydrophobicContact CD1-CD1 3.45Å; I372-L383 VanDerWaalsContact CD1-CD1 3.45Å; I372-L383 HydrophobicContact CG1-CD1 3.73Å; I372-L383 HydrophobicContact CG1-CG 4.5Å; I372-V402 HydrophobicContact CB-CG2 4.17Å; I372-V402 HydrophobicContact CD1-CG2 3.86Å; I372-V402 HydrophobicContact CG2-CG2 3.98Å; I372-F404 HydrophobicContact CG2-CE2 4.02Å; I372-F404 HydrophobicContact CG2-CZ 3.94Å; I372-I416 HydrophobicContact CG2-CG2 3.88Å; I372-I418 HydrophobicContact CG1-CG1 4.16Å; I372-I418 HydrophobicContact CG1-CG2 4.38Å; I372-I418 HydrophobicContact CG2-CG1 4.32Å
373	S	86.9	Confident	81.1	Confident	9 Å²	9	50 Å²	50	6%	0.063	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	138.4	179.5	-51	0	0	0	0	110	V379 K380 I416 V417	S373-V379 VanDerWaalsContact CA-O 3.31Å; S373-V379 WeakPolarHBondContact CA-O 3.45Å; S373-K380 WeakPolarHBondContact OG-CG 3.39Å; S373-I416 WeakPolarHBondContact O-CA 3.44Å; S373-V417 PolarHBondContact N-O 2.88Å; S373-V417 PolarHBondContact O-N 2.97Å
374	L	84.2	Confident	81	Confident	1 Å²	1	53.5 Å²	53.5	1%	0.005	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	117.7	170.2	-167.6	73.8	0	0	0	109.2	L348 D377 N378 V379 F404 V406 K414 I416 I439	L348-L374 HydrophobicContact CD2-CD1 3.97Å; L374-D377 PolarHBondContact O-N 3.46Å; L374-N378 PolarHBondContact O-N 2.81Å; L374-V379 PolarHBondContact N-O 2.75Å; L374-F404 HydrophobicContact CB-CD1 3.69Å; L374-F404 HydrophobicContact CB-CD2 4.49Å; L374-F404 HydrophobicContact CB-CE1 3.59Å; L374-F404 HydrophobicContact CB-CE2 4.41Å; L374-F404 HydrophobicContact CB-CG 4.15Å; L374-F404 HydrophobicContact CB-CZ 3.98Å; L374-F404 HydrophobicContact CD2-CB 3.83Å; L374-F404 HydrophobicContact CD2-CD1 3.98Å; L374-F404 HydrophobicContact CD2-CG 3.89Å; L374-F404 HydrophobicContact CG-CD1 4.41Å; L374-F404 HydrophobicContact CG-CG 4.47Å; L374-V406 HydrophobicContact CD2-CG2 3.42Å; L374-V406 VanDerWaalsContact CD2-CG2 3.42Å; L374-K414 HydrophobicContact CD1-CB 3.74Å; L374-K414 HydrophobicContact CD1-CG 4.26Å; L374-K414 HydrophobicContact CD2-CD 4.17Å; L374-K414 HydrophobicContact CD2-CG 4.18Å; L374-K414 HydrophobicContact CG-CB 4.2Å; L374-K414 HydrophobicContact CG-CD 4.29Å; L374-K414 HydrophobicContact CG-CG 4.31Å; L374-I416 HydrophobicContact CD1-CG1 3.86Å; L374-I439 HydrophobicContact CD1-CD1 4.38Å
375	L	76.1	Confident	80.6	Confident	38 Å²	38	44.6 Å²	44.6	20%	0.199	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	141.1	176.7	-59.3	-176.4	0	0	0	110.1	N378 K414 I415 V417	L375-N378 WeakPolarHBondContact CD2-OD1 3.23Å; L375-K414 WeakPolarHBondContact O-CA 3.5Å; L375-I415 HydrophobicContact CB-CB 4.46Å; L375-I415 PolarHBondContact N-O 3.27Å; L375-I415 PolarHBondContact O-N 2.86Å; L375-V417 HydrophobicContact CD1-CG2 3.57Å; L375-V417 HydrophobicContact CG-CG2 4.08Å
376	P	64.9	Low	79.3	Confident	43 Å²	43	46.7 Å²	46.7	28%	0.279	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	cis	-83.5	-9	7.1	33.3	-36.2	0	0	0	115.2	N378 H516	P376-N378 PolarHBondContact O-N 3.34Å; P376-N378 PolarHBondContact O-ND2 3.38Å; P376-H516 HydrophobicContact CB-CB 4.38Å; P376-H516 PolarHBondContact O-CD2 2.82Å; P376-H516 VanDerWaalsContact O-CD2 3.27Å; P376-H516 PolarHBondContact O-CE1 3.48Å; P376-H516 VanDerWaalsContact O-CE1 3.32Å; P376-H516 PolarHBondContact O-NE2 3.31Å
377	D	66.1	Low	77.8	Confident	51 Å²	51	47.3 Å²	47.3	27%	0.273	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-13.3	-168.1	-56.7	-22.1	0	0	0	115.3	L374 V379 K414	L374-D377 PolarHBondContact O-N 3.46Å; D377-V379 HydrophobicContact CB-CG2 4.04Å; D377-V379 PolarHBondContact O-N 2.98Å; D377-K414 IonicContact OD1-NZ 3.8Å; D377-K414 PolarHBondContact OD1-NZ 2.88Å; D377-K414 VanDerWaalsContact OD2-CE 3.24Å; D377-K414 WeakPolarHBondContact OD2-CE 3.28Å; D377-K414 IonicContact OD2-NZ 3.43Å; D377-K414 PolarHBondContact OD2-NZ 2.87Å
378	N	64.3	Low	76.2	Confident	59 Å²	59	51 Å²	51	32%	0.316	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.8	20.2	179.3	-72	-55	0	0	0	113.4	L374 L375 P376 K380 H516	L374-N378 PolarHBondContact O-N 2.81Å; L375-N378 WeakPolarHBondContact CD2-OD1 3.23Å; P376-N378 PolarHBondContact O-N 3.34Å; P376-N378 PolarHBondContact O-ND2 3.38Å; N378-K380 WeakPolarHBondContact O-CG 3.32Å; N378-K380 PolarHBondContact O-N 3.28Å; N378-H516 PolarHBondContact ND2-CD2 3.32Å; N378-H516 PolarHBondContact ND2-NE2 2.84Å; N378-H516 VanDerWaalsContact ND2-NE2 3.14Å
379	V	71.3	Confident	74.5	Confident	65 Å²	65	59.9 Å²	59.9	39%	0.394	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	122.1	171	-177.7	0	0	0	0	107.7	S373 L374 D377 Y381 F404	S373-V379 VanDerWaalsContact CA-O 3.31Å; S373-V379 WeakPolarHBondContact CA-O 3.45Å; L374-V379 PolarHBondContact N-O 2.75Å; D377-V379 HydrophobicContact CB-CG2 4.04Å; D377-V379 PolarHBondContact O-N 2.98Å; V379-Y381 HydrophobicContact CG1-CE2 4.06Å; V379-F404 HydrophobicContact CB-CD1 4.16Å; V379-F404 HydrophobicContact CB-CE1 4.08Å; V379-F404 HydrophobicContact CG1-CD1 3.96Å; V379-F404 HydrophobicContact CG1-CE1 3.87Å
380	K	79.6	Confident	73.6	Confident	128 Å²	128	62.2 Å²	62.2	56%	0.557	33%	0.325	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-123.7	133.3	-176.7	-50.4	-170.1	179.4	174	0	110.7	I372 S373 N378	I372-K380 WeakPolarHBondContact O-CA 3.17Å; S373-K380 WeakPolarHBondContact OG-CG 3.39Å; N378-K380 WeakPolarHBondContact O-CG 3.32Å; N378-K380 PolarHBondContact O-N 3.28Å
381	Y	80.1	Confident	73.2	Confident	95 Å²	95	64.8 Å²	64.8	37%	0.373	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	128.5	169.5	-69	-80.2	0	0	0	109.6	T371 I372 V379 V402 C403 F404	T371-Y381 CarbonylContact C-O 3.6Å; T371-Y381 VanDerWaalsContact CA-O 3.26Å; T371-Y381 WeakPolarHBondContact CA-O 3.19Å; I372-Y381 PolarHBondContact N-O 2.94Å; I372-Y381 PolarHBondContact O-N 3.33Å; V379-Y381 HydrophobicContact CG1-CE2 4.06Å; Y381-V402 HydrophobicContact CD1-CG1 4.29Å; Y381-V402 HydrophobicContact CD2-CB 3.72Å; Y381-V402 HydrophobicContact CD2-CG1 4.06Å; Y381-V402 HydrophobicContact CD2-CG2 4.06Å; Y381-V402 HydrophobicContact CE2-CB 4.13Å; Y381-V402 HydrophobicContact CG-CB 3.93Å; Y381-V402 HydrophobicContact CG-CG1 3.74Å; Y381-C403 PolarHBondContact OH-O 3.47Å; Y381-F404 HydrophobicContact CD2-CD1 4.34Å; Y381-F404 AromaticContact CD2-CE1 3.54Å; Y381-F404 HydrophobicContact CD2-CE1 3.54Å; Y381-F404 HydrophobicContact CD2-CE2 4.45Å; Y381-F404 AromaticContact CD2-CZ 3.61Å; Y381-F404 HydrophobicContact CD2-CZ 3.61Å; Y381-F404 AromaticContact CE2-CD1 3.75Å; Y381-F404 HydrophobicContact CE2-CD1 3.75Å; Y381-F404 AromaticContact CE2-CE1 3.42Å; Y381-F404 HydrophobicContact CE2-CE1 3.42Å; Y381-F404 VanDerWaalsContact CE2-CE1 3.42Å; Y381-F404 HydrophobicContact CE2-CG 4.43Å; Y381-F404 AromaticContact CE2-CZ 3.85Å; Y381-F404 HydrophobicContact CE2-CZ 3.85Å
382	N	81.6	Confident	72.6	Confident	121 Å²	121	69.2 Å²	69.2	65%	0.647	36%	0.358	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.1	122.9	174.8	-64.6	-73	0	0	0	109.2	T371	T371-N382 WeakPolarHBondContact CG2-OD1 3.41Å
383	L	80.3	Confident	72	Confident	15 Å²	15	70.9 Å²	70.9	8%	0.079	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	139.4	179.5	-55.3	-177.7	0	0	0	109.7	L352 A370 I372 F398 L400 V402	L352-L383 HydrophobicContact CB-CD1 4.25Å; L352-L383 HydrophobicContact CD2-CD1 4.21Å; A370-L383 HydrophobicContact CB-CB 4.15Å; A370-L383 PolarHBondContact N-O 2.96Å; A370-L383 PolarHBondContact O-N 3.31Å; A370-L383 VanDerWaalsContact O-O 3.08Å; I372-L383 HydrophobicContact CD1-CD1 3.45Å; I372-L383 VanDerWaalsContact CD1-CD1 3.45Å; I372-L383 HydrophobicContact CG1-CD1 3.73Å; I372-L383 HydrophobicContact CG1-CG 4.5Å; L383-F398 HydrophobicContact CB-CD1 4.42Å; L383-L400 HydrophobicContact CB-CD1 4.01Å; L383-L400 HydrophobicContact CD1-CB 4.23Å; L383-L400 HydrophobicContact CD2-CB 4.13Å; L383-L400 HydrophobicContact CD2-CD1 4.04Å; L383-L400 HydrophobicContact CG-CD1 4.49Å; L383-V402 HydrophobicContact CD1-CG1 4.44Å; L383-V402 HydrophobicContact CD2-CG1 3.77Å
384	K	77.3	Confident	71.9	Confident	135 Å²	135	73.7 Å²	73.7	59%	0.587	39%	0.392	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-116.8	148.6	173.6	-58.2	-174.3	179.4	171.2	0	107.8	S386 L400	K384-S386 PolarHBondContact O-N 2.81Å; K384-L400 WeakPolarHBondContact O-CD1 3.49Å
385	V	73.3	Confident	72	Confident	13 Å²	13	76 Å²	76	8%	0.079	41%	0.405	C	S	.	.			trans	-53.7	128.6	170.1	172.2	0	0	0	0	109	L367 P368 G387 K390 A396 F398	L367-V385 HydrophobicContact CD1-CB 4.07Å; L367-V385 HydrophobicContact CD1-CG1 4.26Å; L367-V385 HydrophobicContact CD1-CG2 4.35Å; P368-V385 HydrophobicContact CG-CG2 4Å; P368-V385 WeakPolarHBondContact O-CG2 3.41Å; V385-G387 PolarHBondContact O-N 2.83Å; V385-G387 VanDerWaalsContact O-N 3.15Å; V385-K390 HydrophobicContact CG1-CB 3.65Å; V385-A396 HydrophobicContact CG2-CB 4.15Å; V385-F398 HydrophobicContact CG2-CD1 4.16Å; V385-F398 HydrophobicContact CG2-CE1 3.77Å; V385-F398 HydrophobicContact CG2-CE2 4.49Å; V385-F398 HydrophobicContact CG2-CZ 3.95Å
386	S	56.4	Low	72.6	Confident	59 Å²	59	74.2 Å²	74.2	41%	0.413	40%	0.395	S	S	.	.	S	Bend	trans	-85.8	83.9	-172.8	178.6	0	0	0	0	111.4	K384 K390 F398	K384-S386 PolarHBondContact O-N 2.81Å; S386-K390 WeakPolarHBondContact O-CD 3.37Å; S386-K390 VanDerWaalsContact O-CE 3.31Å; S386-K390 WeakPolarHBondContact O-CE 3.38Å; S386-F398 WeakPolarHBondContact CB-O 3.3Å
387	G	52.1	Low	73.8	Confident	44 Å²	44	75 Å²	75	45%	0.454	40%	0.399	S	S	.	.	S	Bend	trans	109.8	165.3	169.1	0	0	0	0	0	115	V385 H389	V385-G387 PolarHBondContact O-N 2.83Å; V385-G387 VanDerWaalsContact O-N 3.15Å; G387-H389 VanDerWaalsContact C-N 3.28Å; G387-H389 PolarHBondContact O-N 2.6Å
388	D	52.9	Low	74.8	Confident	163 Å²	163	72.6 Å²	72.6	87%	0.872	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.8	-7.6	-164	-59.3	-25.5	0	0	0	114.9
389	H	53.4	Low	75.8	Confident	186 Å²	186	73.7 Å²	73.7	86%	0.861	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	-121.6	16.9	-173.4	-61.3	-32.2	0	0	0	114.3	G387	G387-H389 VanDerWaalsContact C-N 3.28Å; G387-H389 PolarHBondContact O-N 2.6Å
390	K	71.3	Confident	76.5	Confident	65 Å²	65	73.3 Å²	73.3	28%	0.283	39%	0.388	S	S	.	.	S	Bend	trans	-106.9	12.1	-174	-74.3	-164	-173.9	-171.2	0	114.4	V385 S386 A396 V397 D399	V385-K390 HydrophobicContact CG1-CB 3.65Å; S386-K390 WeakPolarHBondContact O-CD 3.37Å; S386-K390 VanDerWaalsContact O-CE 3.31Å; S386-K390 WeakPolarHBondContact O-CE 3.38Å; K390-A396 CarbonylContact O-C 3.46Å; K390-A396 WeakPolarHBondContact O-CA 3.41Å; K390-V397 HydrophobicContact CB-CB 3.99Å; K390-V397 HydrophobicContact CD-CB 3.78Å; K390-V397 HydrophobicContact CD-CG1 3.78Å; K390-V397 WeakPolarHBondContact CD-O 3.44Å; K390-V397 HydrophobicContact CG-CB 4.11Å; K390-V397 PolarHBondContact O-N 2.97Å; K390-D399 IonicContact NZ-OD2 2.63Å
391	W	82.6	Confident	76.8	Confident	53 Å²	53	70.8 Å²	70.8	20%	0.201	39%	0.386	C	S	.	.	B	Isolated β-bridge	trans	-134.7	119.3	176.2	171.2	-113	0	0	0	109.3	L358 I365 G366 L367 P368 G393 T394 D395 A396	L358-W391 HydrophobicContact CB-CH2 4.25Å; L358-W391 HydrophobicContact CB-CZ3 4.49Å; L358-W391 HydrophobicContact CD1-CH2 4.16Å; L358-W391 HydrophobicContact CD1-CZ3 3.87Å; I365-W391 HydrophobicContact CB-CH2 4.31Å; I365-W391 HydrophobicContact CB-CZ2 4.04Å; I365-W391 HydrophobicContact CG2-CH2 3.78Å; I365-W391 HydrophobicContact CG2-CZ2 3.64Å; G366-W391 VanDerWaalsContact O-CE2 3.25Å; G366-W391 WeakPolarHBondContact O-CZ2 3.35Å; G366-W391 PolarHBondContact O-NE1 3.15Å; L367-W391 HydrophobicContact CD1-CB 3.92Å; L367-W391 HydrophobicContact CD1-CG 4.23Å; P368-W391 VanDerWaalsContact CD-CD2 3.47Å; P368-W391 HydrophobicContact CG-CD2 4.03Å; P368-W391 HydrophobicContact CG-CE3 3.67Å; P368-W391 HydrophobicContact CG-CH2 4.37Å; P368-W391 HydrophobicContact CG-CZ3 3.88Å; W391-G393 VanDerWaalsContact CE2-CA 3.45Å; W391-G393 WeakPolarHBondContact CH2-O 3.21Å; W391-G393 WeakPolarHBondContact CZ2-O 3.49Å; W391-T394 VanDerWaalsContact CZ3-C 3.43Å; W391-D395 WeakPolarHBondContact CA-O 3.03Å; W391-D395 VanDerWaalsContact CE3-C 3.46Å; W391-A396 HydrophobicContact CE3-CB 3.57Å; W391-A396 HydrophobicContact CZ3-CB 3.93Å
392	D	79.5	Confident	77.3	Confident	110 Å²	110	66.7 Å²	66.7	59%	0.588	37%	0.371	S	S	*	.			trans	-104.7	-3.1	-178.4	65	6.2	0	0	0	113.8	T394 D395	D392-T394 PolarHBondContact OD1-N 3.17Å; D392-T394 PolarHBondContact OD1-OG1 2.81Å; D392-D395 PolarHBondContact N-O 3.47Å; D392-D395 PolarHBondContact OD1-N 3.29Å
393	G	78.7	Confident	77.6	Confident	35 Å²	35	63.8 Å²	63.8	36%	0.361	36%	0.359	S	S	.	.	S	Bend	trans	111.5	-17	-176.8	0	0	0	0	0	113.9	W391	W391-G393 VanDerWaalsContact CE2-CA 3.45Å; W391-G393 WeakPolarHBondContact CH2-O 3.21Å; W391-G393 WeakPolarHBondContact CZ2-O 3.49Å
394	T	84	Confident	77.9	Confident	68 Å²	68	63.3 Å²	63.3	42%	0.417	36%	0.357	S	S	.	.	S	Bend	trans	-130.8	-37.6	179.2	41.9	0	0	0	0	112.2	L358 W391 D392	L358-T394 VanDerWaalsContact CB-O 3.28Å; L358-T394 WeakPolarHBondContact CB-O 3.49Å; L358-T394 WeakPolarHBondContact CG-O 3.39Å; L358-T394 PolarHBondContact N-O 3.12Å; W391-T394 VanDerWaalsContact CZ3-C 3.43Å; D392-T394 PolarHBondContact OD1-N 3.17Å; D392-T394 PolarHBondContact OD1-OG1 2.81Å
395	D	87.1	Confident	78.3	Confident	51 Å²	51	62.1 Å²	62.1	27%	0.273	36%	0.361	S	S	.	.			trans	-118.5	132.2	-174.7	-60.6	-20.8	0	0	0	110.8	A355 N356 N357 W391 D392	A355-D395 CarbonylContact O-C 3.52Å; A355-D395 VanDerWaalsContact O-CA 3.31Å; A355-D395 WeakPolarHBondContact O-CA 3.14Å; N356-D395 WeakPolarHBondContact CA-OD1 3.24Å; N357-D395 PolarHBondContact N-OD1 3.35Å; W391-D395 WeakPolarHBondContact CA-O 3.03Å; W391-D395 VanDerWaalsContact CE3-C 3.46Å; D392-D395 PolarHBondContact N-O 3.47Å; D392-D395 PolarHBondContact OD1-N 3.29Å
396	A	88.7	Confident	78.8	Confident	0 Å²	0	61.6 Å²	61.6	0%	0	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	128.7	-177	0	0	0	0	0	111	A354 A355 L358 P368 V385 K390 W391 F398	A354-A396 CarbonylContact C-O 3.51Å; A354-A396 WeakPolarHBondContact CA-O 3.47Å; A355-A396 HydrophobicContact CB-CB 4.35Å; A355-A396 PolarHBondContact N-O 3.37Å; A355-A396 PolarHBondContact O-N 3.37Å; L358-A396 HydrophobicContact CD1-CB 4.45Å; P368-A396 HydrophobicContact CG-CB 3.43Å; P368-A396 VanDerWaalsContact CG-CB 3.43Å; V385-A396 HydrophobicContact CG2-CB 4.15Å; K390-A396 CarbonylContact O-C 3.46Å; K390-A396 WeakPolarHBondContact O-CA 3.41Å; W391-A396 HydrophobicContact CE3-CB 3.57Å; W391-A396 HydrophobicContact CZ3-CB 3.93Å; A396-F398 HydrophobicContact CB-CE2 3.98Å
397	V	88.8	Confident	79.9	Confident	59 Å²	59	61 Å²	61	36%	0.358	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	113.1	174.6	-179.4	0	0	0	0	110.1	K390 D399	K390-V397 HydrophobicContact CB-CB 3.99Å; K390-V397 HydrophobicContact CD-CB 3.78Å; K390-V397 HydrophobicContact CD-CG1 3.78Å; K390-V397 WeakPolarHBondContact CD-O 3.44Å; K390-V397 HydrophobicContact CG-CB 4.11Å; K390-V397 PolarHBondContact O-N 2.97Å; V397-D399 HydrophobicContact CG1-CB 4.24Å
398	F	86.7	Confident	81.3	Confident	0 Å²	0	64 Å²	64	0%	0	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	-56.1	177.6	-71.4	-86.6	0	0	0	110.7	L352 W353 A355 P368 A370 L383 V385 S386 A396 L400 L420	L352-F398 HydrophobicContact CB-CB 4.5Å; L352-F398 HydrophobicContact CD2-CB 4.09Å; L352-F398 HydrophobicContact CD2-CD1 4.05Å; L352-F398 HydrophobicContact CD2-CD2 3.64Å; L352-F398 HydrophobicContact CD2-CE1 4.43Å; L352-F398 HydrophobicContact CD2-CE2 4.05Å; L352-F398 HydrophobicContact CD2-CG 3.64Å; L352-F398 HydrophobicContact CD2-CZ 4.43Å; L352-F398 HydrophobicContact CG-CB 3.99Å; L352-F398 HydrophobicContact CG-CD2 3.9Å; L352-F398 HydrophobicContact CG-CG 4Å; L352-F398 WeakPolarHBondContact O-CB 3.12Å; W353-F398 PolarHBondContact O-N 2.98Å; A355-F398 HydrophobicContact CB-CE2 3.97Å; P368-F398 HydrophobicContact CB-CZ 4.49Å; A370-F398 HydrophobicContact CB-CD1 4.14Å; A370-F398 HydrophobicContact CB-CE1 3.56Å; A370-F398 HydrophobicContact CB-CE2 4.46Å; A370-F398 HydrophobicContact CB-CZ 3.75Å; L383-F398 HydrophobicContact CB-CD1 4.42Å; V385-F398 HydrophobicContact CG2-CD1 4.16Å; V385-F398 HydrophobicContact CG2-CE1 3.77Å; V385-F398 HydrophobicContact CG2-CE2 4.49Å; V385-F398 HydrophobicContact CG2-CZ 3.95Å; S386-F398 WeakPolarHBondContact CB-O 3.3Å; A396-F398 HydrophobicContact CB-CE2 3.98Å; F398-L400 VanDerWaalsContact C-N 3.35Å; F398-L420 HydrophobicContact CE2-CD2 4.03Å; F398-L420 HydrophobicContact CZ-CD2 3.85Å
399	D	86.1	Confident	82.4	Confident	83 Å²	83	60.7 Å²	60.7	44%	0.444	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	52.9	49.9	-177.2	-167.1	22.7	0	0	0	112.3	L352 W353 K390 V397	L352-D399 PolarHBondContact O-N 2.85Å; L352-D399 VanDerWaalsContact O-N 3.12Å; W353-D399 WeakPolarHBondContact CZ3-OD1 3.35Å; W353-D399 PolarHBondContact O-N 2.76Å; K390-D399 IonicContact NZ-OD2 2.63Å; V397-D399 HydrophobicContact CG1-CB 4.24Å
400	L	87.1	Confident	83.6	Confident	57 Å²	57	53.9 Å²	53.9	30%	0.298	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	142.5	-176	-70.8	171.7	0	0	0	111	S351 L352 L383 K384 F398	S351-L400 WeakPolarHBondContact CA-O 3.48Å; L352-L400 PolarHBondContact N-O 2.84Å; L352-L400 PolarHBondContact O-N 2.86Å; L352-L400 VanDerWaalsContact O-N 3.11Å; L383-L400 HydrophobicContact CB-CD1 4.01Å; L383-L400 HydrophobicContact CD1-CB 4.23Å; L383-L400 HydrophobicContact CD2-CB 4.13Å; L383-L400 HydrophobicContact CD2-CD1 4.04Å; L383-L400 HydrophobicContact CG-CD1 4.49Å; K384-L400 WeakPolarHBondContact O-CD1 3.49Å; F398-L400 VanDerWaalsContact C-N 3.35Å
401	S	85.9	Confident	84	Confident	74 Å²	74	50.8 Å²	50.8	52%	0.517	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	145.4	177.2	-57.2	0	0	0	0	111.3	V350 S351	V350-S401 CarbonylContact O-C 3.51Å; V350-S401 WeakPolarHBondContact O-CA 3.47Å; S351-S401 VanDerWaalsContact CB-OG 3.27Å; S351-S401 WeakPolarHBondContact CB-OG 3.4Å; S351-S401 PolarHBondContact OG-OG 2.86Å
402	V	89.2	Confident	83.7	Confident	10 Å²	10	52.2 Å²	52.2	6%	0.061	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	149.3	177.3	-58.8	0	0	0	0	109.7	G349 V350 I372 Y381 L383 F404	G349-V402 CarbonylContact C-O 3.53Å; G349-V402 WeakPolarHBondContact CA-O 3.5Å; V350-V402 HydrophobicContact CB-CG2 4Å; V350-V402 PolarHBondContact N-O 3.18Å; V350-V402 PolarHBondContact O-N 3.27Å; I372-V402 HydrophobicContact CB-CG2 4.17Å; I372-V402 HydrophobicContact CD1-CG2 3.86Å; I372-V402 HydrophobicContact CG2-CG2 3.98Å; Y381-V402 HydrophobicContact CD1-CG1 4.29Å; Y381-V402 HydrophobicContact CD2-CB 3.72Å; Y381-V402 HydrophobicContact CD2-CG1 4.06Å; Y381-V402 HydrophobicContact CD2-CG2 4.06Å; Y381-V402 HydrophobicContact CE2-CB 4.13Å; Y381-V402 HydrophobicContact CG-CB 3.93Å; Y381-V402 HydrophobicContact CG-CG1 3.74Å; L383-V402 HydrophobicContact CD1-CG1 4.44Å; L383-V402 HydrophobicContact CD2-CG1 3.77Å; V402-F404 HydrophobicContact CG2-CD2 4.48Å; V402-F404 HydrophobicContact CG2-CE2 3.68Å; V402-F404 HydrophobicContact CG2-CZ 4.07Å
403	C	88.2	Confident	83.3	Confident	59 Å²	59	51.3 Å²	51.3	40%	0.399	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	134.9	179	-67	0	0	0	0	110.3	L348 Y381	L348-C403 CarbonylContact O-C 3.39Å; L348-C403 WeakPolarHBondContact O-CA 3.41Å; Y381-C403 PolarHBondContact OH-O 3.47Å
404	F	86.4	Confident	83.2	Confident	6 Å²	6	50.5 Å²	50.5	3%	0.026	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	135.2	172.4	-58.3	-85.1	0	0	0	109.6	Q347 L348 V350 I372 L374 V379 Y381 V402 V406	Q347-F404 CarbonylContact C-O 3.58Å; Q347-F404 WeakPolarHBondContact CA-O 3.3Å; L348-F404 HydrophobicContact CB-CB 4.39Å; L348-F404 HydrophobicContact CD2-CD2 4.43Å; L348-F404 PolarHBondContact N-O 3Å; L348-F404 PolarHBondContact O-N 2.93Å; V350-F404 HydrophobicContact CG2-CD2 4.2Å; V350-F404 HydrophobicContact CG2-CE2 4.01Å; I372-F404 HydrophobicContact CG2-CE2 4.02Å; I372-F404 HydrophobicContact CG2-CZ 3.94Å; L374-F404 HydrophobicContact CB-CD1 3.69Å; L374-F404 HydrophobicContact CB-CD2 4.49Å; L374-F404 HydrophobicContact CB-CE1 3.59Å; L374-F404 HydrophobicContact CB-CE2 4.41Å; L374-F404 HydrophobicContact CB-CG 4.15Å; L374-F404 HydrophobicContact CB-CZ 3.98Å; L374-F404 HydrophobicContact CD2-CB 3.83Å; L374-F404 HydrophobicContact CD2-CD1 3.98Å; L374-F404 HydrophobicContact CD2-CG 3.89Å; L374-F404 HydrophobicContact CG-CD1 4.41Å; L374-F404 HydrophobicContact CG-CG 4.47Å; V379-F404 HydrophobicContact CB-CD1 4.16Å; V379-F404 HydrophobicContact CB-CE1 4.08Å; V379-F404 HydrophobicContact CG1-CD1 3.96Å; V379-F404 HydrophobicContact CG1-CE1 3.87Å; Y381-F404 HydrophobicContact CD2-CD1 4.34Å; Y381-F404 AromaticContact CD2-CE1 3.54Å; Y381-F404 HydrophobicContact CD2-CE1 3.54Å; Y381-F404 HydrophobicContact CD2-CE2 4.45Å; Y381-F404 AromaticContact CD2-CZ 3.61Å; Y381-F404 HydrophobicContact CD2-CZ 3.61Å; Y381-F404 AromaticContact CE2-CD1 3.75Å; Y381-F404 HydrophobicContact CE2-CD1 3.75Å; Y381-F404 AromaticContact CE2-CE1 3.42Å; Y381-F404 HydrophobicContact CE2-CE1 3.42Å; Y381-F404 VanDerWaalsContact CE2-CE1 3.42Å; Y381-F404 HydrophobicContact CE2-CG 4.43Å; Y381-F404 AromaticContact CE2-CZ 3.85Å; Y381-F404 HydrophobicContact CE2-CZ 3.85Å; V402-F404 HydrophobicContact CG2-CD2 4.48Å; V402-F404 HydrophobicContact CG2-CE2 3.68Å; V402-F404 HydrophobicContact CG2-CZ 4.07Å; F404-V406 HydrophobicContact CB-CG2 3.82Å; F404-V406 PolarHBondContact O-N 3.11Å
405	T	85	Confident	83.1	Confident	110 Å²	110	48.3 Å²	48.3	68%	0.675	27%	0.27	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.1	108.3	170.2	-53.3	0	0	0	0	108.6
406	V	83.8	Confident	83.1	Confident	1 Å²	1	45.9 Å²	45.9	1%	0.006	26%	0.257	C	S	.	.			trans	-135.3	116.2	-176.1	-175.2	0	0	0	0	109.4	Y341 Q346 L348 L374 F404 D410 L411 K414	Y341-V406 VanDerWaalsContact CE2-O 3.23Å; Y341-V406 WeakPolarHBondContact CE2-O 3.49Å; Y341-V406 PolarHBondContact OH-O 2.89Å; Q346-V406 CarbonylContact O-C 3.49Å; Q346-V406 PolarHBondContact O-N 3.08Å; Q346-V406 VanDerWaalsContact O-O 3.08Å; L348-V406 HydrophobicContact CB-CG2 4.26Å; L348-V406 HydrophobicContact CD2-CG2 4.4Å; L374-V406 HydrophobicContact CD2-CG2 3.42Å; L374-V406 VanDerWaalsContact CD2-CG2 3.42Å; F404-V406 HydrophobicContact CB-CG2 3.82Å; F404-V406 PolarHBondContact O-N 3.11Å; V406-D410 HydrophobicContact CG1-CB 4.35Å; V406-L411 HydrophobicContact CB-CD2 4.11Å; V406-L411 HydrophobicContact CG1-CD2 3.79Å; V406-L411 HydrophobicContact CG1-CG 4.13Å; V406-K414 HydrophobicContact CG1-CD 4.47Å; V406-K414 HydrophobicContact CG1-CG 3.78Å
407	P	81.3	Confident	83	Confident	47 Å²	47	46.7 Å²	46.7	31%	0.305	26%	0.261	S	S	.	.			trans	-58	142.7	172.8	-25	35.1	0	0	0	112.3	C409 D410 L411	P407-C409 PolarHBondContact O-N 3.44Å; P407-C409 VanDerWaalsContact O-N 3.08Å; P407-D410 PolarHBondContact O-N 2.99Å; P407-L411 PolarHBondContact O-N 2.86Å
408	R	80.6	Confident	83.1	Confident	107 Å²	107	43.9 Å²	43.9	40%	0.404	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.1	-35.3	-176.1	-176.2	77.2	-174.6	86.7	-7.1	112.8	Y341 D410	Y341-R408 HydrophobicContact CE1-CB 4.22Å; Y341-R408 VanDerWaalsContact CE1-CD 3.47Å; Y341-R408 HydrophobicContact CE1-CG 4.46Å; Y341-R408 WeakPolarHBondContact OH-CA 3.33Å; Y341-R408 PolarHBondContact OH-N 3.27Å; R408-D410 VanDerWaalsContact C-N 3.25Å; R408-D410 PolarHBondContact O-N 2.56Å
409	C	76.1	Confident	83.3	Confident	94 Å²	94	45.9 Å²	45.9	64%	0.635	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.5	-21.5	179.3	56.1	0	0	0	0	113.9	P407	P407-C409 PolarHBondContact O-N 3.44Å; P407-C409 VanDerWaalsContact O-N 3.08Å
410	D	78.6	Confident	83.6	Confident	42 Å²	42	42 Å²	42	23%	0.225	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.4	-12.5	-177.5	-65.3	-34	0	0	0	113.2	V406 P407 R408 N412 K413 K414	V406-D410 HydrophobicContact CG1-CB 4.35Å; P407-D410 PolarHBondContact O-N 2.99Å; R408-D410 VanDerWaalsContact C-N 3.25Å; R408-D410 PolarHBondContact O-N 2.56Å; D410-N412 VanDerWaalsContact C-N 3.26Å; D410-N412 PolarHBondContact O-N 3.31Å; D410-K413 CarbonylContact O-C 3.54Å; D410-K413 VanDerWaalsContact O-CA 3.32Å; D410-K413 WeakPolarHBondContact O-CA 3.24Å; D410-K413 WeakPolarHBondContact O-CB 3.44Å; D410-K413 PolarHBondContact O-N 3.49Å; D410-K413 IonicContact OD1-NZ 3.62Å; D410-K413 PolarHBondContact OD1-NZ 2.94Å; D410-K414 WeakPolarHBondContact O-CG 3.34Å; D410-K414 PolarHBondContact O-N 3.18Å
411	L	79.5	Confident	83.7	Confident	0 Å²	0	40.7 Å²	40.7	0%	0	22%	0.223	C	C	.	.	G	3₁₀ helix	trans	-51.3	-44.3	177.7	-76.9	172.6	0	0	0	112.9	Y341 L348 V406 P407 K413 K414 I439 L445	Y341-L411 HydrophobicContact CD1-CD1 3.85Å; Y341-L411 HydrophobicContact CD2-CD1 3.66Å; Y341-L411 HydrophobicContact CD2-CD2 3.7Å; Y341-L411 HydrophobicContact CD2-CG 4.18Å; Y341-L411 HydrophobicContact CE1-CD1 3.81Å; Y341-L411 HydrophobicContact CE2-CD1 3.63Å; Y341-L411 HydrophobicContact CE2-CD2 3.71Å; Y341-L411 HydrophobicContact CE2-CG 3.93Å; Y341-L411 HydrophobicContact CG-CD1 3.76Å; L348-L411 HydrophobicContact CB-CD2 4.35Å; L348-L411 HydrophobicContact CD1-CD2 4.27Å; L348-L411 HydrophobicContact CD2-CD2 4.3Å; V406-L411 HydrophobicContact CB-CD2 4.11Å; V406-L411 HydrophobicContact CG1-CD2 3.79Å; V406-L411 HydrophobicContact CG1-CG 4.13Å; P407-L411 PolarHBondContact O-N 2.86Å; L411-K413 PolarHBondContact O-N 3.02Å; L411-K414 PolarHBondContact O-N 3.36Å; L411-I439 HydrophobicContact CB-CG2 4.29Å; L411-I439 HydrophobicContact CD2-CD1 4.37Å; L411-I439 WeakPolarHBondContact O-CB 3.43Å; L411-I439 WeakPolarHBondContact O-CG2 3.32Å; L411-L445 HydrophobicContact CD1-CD1 4.27Å
412	N	76	Confident	83.9	Confident	83 Å²	83	37.2 Å²	37.2	44%	0.444	20%	0.199	S	C	.	.	G	3₁₀ helix	trans	-66.8	-10.1	180	-63.9	-8.5	0	0	0	113	D410 K440 Y472	D410-N412 VanDerWaalsContact C-N 3.26Å; D410-N412 PolarHBondContact O-N 3.31Å; N412-K440 HydrophobicContact CB-CB 4.47Å; N412-K440 HydrophobicContact CB-CG 4.46Å; N412-Y472 PolarHBondContact O-OH 2.76Å
413	K	71	Confident	83.7	Confident	92 Å²	92	44 Å²	44	40%	0.4	22%	0.223	S	C	.	.	G	3₁₀ helix	trans	-109.8	12.7	177	-44.8	175.2	-166.3	155.4	0	112.2	D410 L411 A471 Y472	D410-K413 CarbonylContact O-C 3.54Å; D410-K413 VanDerWaalsContact O-CA 3.32Å; D410-K413 WeakPolarHBondContact O-CA 3.24Å; D410-K413 WeakPolarHBondContact O-CB 3.44Å; D410-K413 PolarHBondContact O-N 3.49Å; D410-K413 IonicContact OD1-NZ 3.62Å; D410-K413 PolarHBondContact OD1-NZ 2.94Å; L411-K413 PolarHBondContact O-N 3.02Å; K413-A471 HydrophobicContact CG-CB 4.49Å; K413-Y472 VanDerWaalsContact CA-CZ 3.42Å; K413-Y472 VanDerWaalsContact CA-OH 3.26Å; K413-Y472 WeakPolarHBondContact CA-OH 3.35Å; K413-Y472 WeakPolarHBondContact O-CD1 3.33Å; K413-Y472 WeakPolarHBondContact O-CE1 3.5Å
414	K	77.9	Confident	83.3	Confident	18 Å²	18	45.5 Å²	45.5	8%	0.078	22%	0.223	C	C	.	.			trans	-109.3	141.1	174	-55.4	-55.5	178.9	-179.6	0	112.8	L374 L375 D377 V406 D410 L411 I439 Y472	L374-K414 HydrophobicContact CD1-CB 3.74Å; L374-K414 HydrophobicContact CD1-CG 4.26Å; L374-K414 HydrophobicContact CD2-CD 4.17Å; L374-K414 HydrophobicContact CD2-CG 4.18Å; L374-K414 HydrophobicContact CG-CB 4.2Å; L374-K414 HydrophobicContact CG-CD 4.29Å; L374-K414 HydrophobicContact CG-CG 4.31Å; L375-K414 WeakPolarHBondContact O-CA 3.5Å; D377-K414 IonicContact OD1-NZ 3.8Å; D377-K414 PolarHBondContact OD1-NZ 2.88Å; D377-K414 VanDerWaalsContact OD2-CE 3.24Å; D377-K414 WeakPolarHBondContact OD2-CE 3.28Å; D377-K414 IonicContact OD2-NZ 3.43Å; D377-K414 PolarHBondContact OD2-NZ 2.87Å; V406-K414 HydrophobicContact CG1-CD 4.47Å; V406-K414 HydrophobicContact CG1-CG 3.78Å; D410-K414 WeakPolarHBondContact O-CG 3.34Å; D410-K414 PolarHBondContact O-N 3.18Å; L411-K414 PolarHBondContact O-N 3.36Å; K414-I439 HydrophobicContact CB-CD1 3.72Å; K414-I439 HydrophobicContact CB-CG1 4.39Å; K414-I439 VanDerWaalsContact O-CB 3.31Å; K414-I439 WeakPolarHBondContact O-CB 3.23Å; K414-I439 VanDerWaalsContact O-CG1 3.27Å; K414-I439 WeakPolarHBondContact O-CG1 3.37Å; K414-I439 PolarHBondContact O-N 2.63Å; K414-Y472 VanDerWaalsContact C-OH 3.28Å; K414-Y472 PolarHBondContact N-OH 2.87Å; K414-Y472 PolarHBondContact O-OH 3.39Å
415	I	81.3	Confident	82.9	Confident	22 Å²	22	48 Å²	48	11%	0.113	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	131.3	172.2	-72.3	155.3	0	0	0	107.2	L375 V417 V436 P438 Y472	L375-I415 HydrophobicContact CB-CB 4.46Å; L375-I415 PolarHBondContact N-O 3.27Å; L375-I415 PolarHBondContact O-N 2.86Å; I415-V417 HydrophobicContact CG2-CG2 3.94Å; I415-V436 HydrophobicContact CG2-CG1 3.59Å; I415-P438 HydrophobicContact CG1-CB 4.02Å; I415-P438 HydrophobicContact CG1-CG 4.36Å; I415-Y472 HydrophobicContact CB-CE1 4.07Å; I415-Y472 HydrophobicContact CD1-CD1 3.27Å; I415-Y472 HydrophobicContact CD1-CD2 4.21Å; I415-Y472 HydrophobicContact CD1-CE1 3.4Å; I415-Y472 HydrophobicContact CD1-CE2 4.35Å; I415-Y472 HydrophobicContact CD1-CG 3.65Å; I415-Y472 HydrophobicContact CG1-CD1 3.76Å; I415-Y472 HydrophobicContact CG1-CE1 3.3Å; I415-Y472 HydrophobicContact CG1-CE2 4.5Å; I415-Y472 HydrophobicContact CG1-CG 4.45Å
416	I	86.8	Confident	82.3	Confident	0 Å²	0	50.8 Å²	50.8	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	127.1	170.1	-64.7	158.2	0	0	0	107.6	M339 L348 V350 I372 S373 L374 I418 I437 I439	M339-I416 HydrophobicContact CE-CD1 3.62Å; M339-I416 HydrophobicContact CG-CD1 4.33Å; M339-I416 HydrophobicContact SD-CD1 3.39Å; M339-I416 WeakPolarHBondContact SD-CD1 3.23Å; L348-I416 HydrophobicContact CD2-CD1 4.23Å; V350-I416 HydrophobicContact CG1-CD1 4.41Å; V350-I416 HydrophobicContact CG1-CG2 4.25Å; V350-I416 HydrophobicContact CG2-CD1 3.51Å; V350-I416 HydrophobicContact CG2-CG1 4.2Å; I372-I416 HydrophobicContact CG2-CG2 3.88Å; S373-I416 WeakPolarHBondContact O-CA 3.44Å; L374-I416 HydrophobicContact CD1-CG1 3.86Å; I416-I418 HydrophobicContact CG2-CD1 4.27Å; I416-I418 HydrophobicContact CG2-CG1 3.86Å; I416-I437 HydrophobicContact CB-CB 4.46Å; I416-I437 PolarHBondContact N-O 2.8Å; I416-I437 PolarHBondContact O-N 2.83Å; I416-I439 HydrophobicContact CD1-CD1 3.98Å; I416-I439 HydrophobicContact CD1-CG1 3.99Å; I416-I439 HydrophobicContact CG1-CD1 4.18Å; I416-I439 HydrophobicContact CG1-CG1 4.26Å
417	V	87.7	Confident	81.9	Confident	16 Å²	16	59.7 Å²	59.7	10%	0.097	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	117.9	172.3	-177.3	0	0	0	0	108.7	S373 L375 I415 A435 V436	S373-V417 PolarHBondContact N-O 2.88Å; S373-V417 PolarHBondContact O-N 2.97Å; L375-V417 HydrophobicContact CD1-CG2 3.57Å; L375-V417 HydrophobicContact CG-CG2 4.08Å; I415-V417 HydrophobicContact CG2-CG2 3.94Å; V417-A435 WeakPolarHBondContact CA-O 3.32Å; V417-V436 HydrophobicContact CG2-CG2 4.45Å
418	I	90.7	Very high	81.9	Confident	0 Å²	0	60.2 Å²	60.2	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	109.2	176.3	-54.3	-179.2	0	0	0	107.7	I335 V337 L352 T371 I372 I416 Q434 A435 I437	I335-I418 HydrophobicContact CD1-CB 3.78Å; I335-I418 HydrophobicContact CD1-CD1 3.89Å; I335-I418 HydrophobicContact CD1-CG1 4.37Å; I335-I418 HydrophobicContact CD1-CG2 3.81Å; V337-I418 HydrophobicContact CB-CD1 4.45Å; V337-I418 HydrophobicContact CG1-CD1 3.94Å; V337-I418 HydrophobicContact CG2-CD1 3.57Å; L352-I418 HydrophobicContact CD1-CG2 4.41Å; L352-I418 HydrophobicContact CD2-CG2 4.27Å; T371-I418 CarbonylContact O-C 3.56Å; T371-I418 VanDerWaalsContact O-CA 3.31Å; T371-I418 WeakPolarHBondContact O-CA 3.07Å; I372-I418 HydrophobicContact CG1-CG1 4.16Å; I372-I418 HydrophobicContact CG1-CG2 4.38Å; I372-I418 HydrophobicContact CG2-CG1 4.32Å; I416-I418 HydrophobicContact CG2-CD1 4.27Å; I416-I418 HydrophobicContact CG2-CG1 3.86Å; I418-Q434 CarbonylContact O-C 3.54Å; I418-Q434 WeakPolarHBondContact O-CA 3.33Å; I418-A435 PolarHBondContact N-O 3.16Å; I418-A435 PolarHBondContact O-N 2.91Å; I418-I437 HydrophobicContact CD1-CD1 4.3Å
419	K	90.5	Very high	82.1	Confident	43 Å²	43	60.9 Å²	60.9	19%	0.187	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	126	-179.9	177.9	176.8	-176.8	168.6	0	110.3	A370 T371 T431 Q434 E458	A370-K419 CarbonylContact C-O 3.53Å; A370-K419 WeakPolarHBondContact CA-O 2.9Å; T371-K419 PolarHBondContact N-O 2.83Å; T371-K419 PolarHBondContact O-N 2.83Å; K419-T431 HydrophobicContact CD-CG2 4.34Å; K419-T431 VanDerWaalsContact CE-CG2 3.44Å; K419-T431 WeakPolarHBondContact CE-OG1 3.4Å; K419-T431 HydrophobicContact CG-CG2 4.04Å; K419-T431 PolarHBondContact NZ-OG1 3.02Å; K419-T431 VanDerWaalsContact NZ-OG1 3.13Å; K419-Q434 HydrophobicContact CB-CB 4.26Å; K419-E458 IonicContact NZ-OE1 2.83Å; K419-E458 PolarHBondContact NZ-OE1 3.5Å; K419-E458 IonicContact NZ-OE2 2.81Å; K419-E458 PolarHBondContact NZ-OE2 3.1Å
420	L	91.7	Very high	82.6	Confident	0 Å²	0	57.3 Å²	57.3	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	135.2	171.9	-64.4	-174.2	0	0	0	110.3	I335 A355 L358 H369 A370 F398 I432 G433 L455	I335-L420 HydrophobicContact CG2-CD1 3.75Å; I335-L420 HydrophobicContact CG2-CG 4.35Å; A355-L420 HydrophobicContact CB-CD1 3.77Å; L358-L420 HydrophobicContact CD1-CD1 4.16Å; L358-L420 HydrophobicContact CD2-CD1 3.74Å; H369-L420 CarbonylContact O-C 3.42Å; H369-L420 WeakPolarHBondContact O-CA 3.38Å; A370-L420 HydrophobicContact CB-CD2 3.48Å; A370-L420 VanDerWaalsContact CB-CD2 3.48Å; F398-L420 HydrophobicContact CE2-CD2 4.03Å; F398-L420 HydrophobicContact CZ-CD2 3.85Å; L420-I432 HydrophobicContact CB-CB 4.12Å; L420-I432 HydrophobicContact CB-CD1 4.33Å; L420-I432 PolarHBondContact O-N 2.92Å; L420-G433 PolarHBondContact N-O 3.17Å; L420-G433 PolarHBondContact O-N 3.5Å; L420-L455 HydrophobicContact CD1-CD1 3.77Å; L420-L455 HydrophobicContact CD1-CD2 4.1Å; L420-L455 HydrophobicContact CG-CD2 4.38Å
421	W	90.5	Very high	83	Confident	31 Å²	31	56.6 Å²	56.6	12%	0.117	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	155.7	178.6	58.3	-84.3	0	0	0	110.6	H369 R423 Q429 F430	H369-W421 HydrophobicContact CB-CD2 3.64Å; H369-W421 HydrophobicContact CB-CE3 3.98Å; H369-W421 HydrophobicContact CB-CG 4.25Å; H369-W421 HydrophobicContact CB-CH2 3.81Å; H369-W421 HydrophobicContact CB-CZ2 3.42Å; H369-W421 VanDerWaalsContact CB-CZ2 3.42Å; H369-W421 HydrophobicContact CB-CZ3 4.06Å; H369-W421 AromaticContact CD2-CE3 3.99Å; H369-W421 AromaticContact CD2-CH2 3.69Å; H369-W421 AromaticContact CD2-CZ3 3.54Å; H369-W421 AromaticContact CG-CH2 3.69Å; H369-W421 AromaticContact CG-CZ2 3.8Å; H369-W421 AromaticContact CG-CZ3 3.94Å; H369-W421 PolarHBondContact N-O 2.94Å; H369-W421 PolarHBondContact O-N 2.87Å; W421-R423 HydrophobicContact CZ3-CG 3.95Å; W421-Q429 HydrophobicContact CE3-CB 3.8Å; W421-Q429 HydrophobicContact CE3-CG 4.48Å; W421-Q429 HydrophobicContact CZ3-CB 4.24Å; W421-F430 CarbonylContact C-O 3.56Å; W421-F430 VanDerWaalsContact CA-O 3.22Å; W421-F430 WeakPolarHBondContact CA-O 3.31Å; W421-F430 WeakPolarHBondContact CB-O 3.48Å
422	S	88.2	Confident	83.4	Confident	1 Å²	1	56.7 Å²	56.7	1%	0.007	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	158.7	172.7	-166.8	0	0	0	0	110.4	G366 L367 Q429 F430	G366-S422 PolarHBondContact N-OG 3.27Å; L367-S422 PolarHBondContact O-OG 3.33Å; L367-S422 VanDerWaalsContact O-OG 3.12Å; S422-Q429 CarbonylContact O-C 3.52Å; S422-Q429 VanDerWaalsContact O-CA 3.24Å; S422-Q429 WeakPolarHBondContact O-CA 3.31Å; S422-Q429 WeakPolarHBondContact O-CB 3.48Å; S422-F430 PolarHBondContact N-O 2.88Å; S422-F430 WeakPolarHBondContact O-CD1 3.38Å; S422-F430 PolarHBondContact O-N 3.5Å
423	R	85.6	Confident	84	Confident	152 Å²	152	52.7 Å²	52.7	57%	0.574	26%	0.261	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.2	130.3	177.5	-70.9	-176.5	172.7	-175.5	-5.4	110	W421	W421-R423 HydrophobicContact CZ3-CG 3.95Å
424	K	80.1	Confident	84.9	Confident	90 Å²	90	49.2 Å²	49.2	39%	0.391	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	90.2	163.9	-175.8	179.6	177.8	-169.7	0	107.7	Y363 S428 F430	Y363-K424 HydrophobicContact CD1-CD 4.12Å; Y363-K424 HydrophobicContact CE1-CD 3.69Å; Y363-K424 HydrophobicContact CE2-CD 4.43Å; Y363-K424 VanDerWaalsContact CZ-NZ 3.29Å; Y363-K424 PolarHBondContact OH-NZ 2.94Å; K424-S428 CarbonylContact C-O 3.51Å; K424-S428 WeakPolarHBondContact CA-O 3.36Å; K424-S428 WeakPolarHBondContact CB-OG 3.44Å; K424-S428 PolarHBondContact N-O 3.29Å; K424-S428 PolarHBondContact O-N 3.2Å; K424-S428 VanDerWaalsContact O-O 3.05Å; K424-S428 PolarHBondContact O-OG 2.69Å; K424-F430 HydrophobicContact CB-CD1 3.92Å; K424-F430 HydrophobicContact CB-CE1 4.47Å
425	G	77.4	Confident	85.3	Confident	59 Å²	59	48.5 Å²	48.5	61%	0.608	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	68.6	-155.4	-175.4	0	0	0	0	0	113.4
426	I	73.8	Confident	85.5	Confident	169 Å²	169	49.2 Å²	49.2	87%	0.867	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.5	-35.5	-169.3	-61.9	166.9	0	0	0	112.6
427	K	74.7	Confident	85.5	Confident	188 Å²	188	49.3 Å²	49.3	82%	0.817	25%	0.25	S	C	*	.	T	Hydrogen-bonded Turn	trans	-117.2	-8.9	-167.9	-66.1	-171	177.6	-176	0	115.1
428	S	80.1	Confident	85.2	Confident	58 Å²	58	49.7 Å²	49.7	41%	0.406	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	152.6	-179.2	61.1	0	0	0	0	111.7	K424	K424-S428 CarbonylContact C-O 3.51Å; K424-S428 WeakPolarHBondContact CA-O 3.36Å; K424-S428 WeakPolarHBondContact CB-OG 3.44Å; K424-S428 PolarHBondContact N-O 3.29Å; K424-S428 PolarHBondContact O-N 3.2Å; K424-S428 VanDerWaalsContact O-O 3.05Å; K424-S428 PolarHBondContact O-OG 2.69Å
429	Q	86.4	Confident	84.8	Confident	120 Å²	120	49.8 Å²	49.8	56%	0.561	25%	0.253	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-127.8	157.2	173.5	64.9	-172.8	32.2	0	0	109	W421 S422	W421-Q429 HydrophobicContact CE3-CB 3.8Å; W421-Q429 HydrophobicContact CE3-CG 4.48Å; W421-Q429 HydrophobicContact CZ3-CB 4.24Å; S422-Q429 CarbonylContact O-C 3.52Å; S422-Q429 VanDerWaalsContact O-CA 3.24Å; S422-Q429 WeakPolarHBondContact O-CA 3.31Å; S422-Q429 WeakPolarHBondContact O-CB 3.48Å
430	F	85.7	Confident	84.1	Confident	19 Å²	19	53.8 Å²	53.8	8%	0.083	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	143.3	170.6	67.4	-81.3	0	0	0	109.1	H360 Y363 I365 W421 S422 K424 I432	H360-F430 HydrophobicContact CB-CE2 4.11Å; H360-F430 AromaticContact CD2-CD2 3.61Å; H360-F430 AromaticContact CD2-CE2 3.78Å; H360-F430 AromaticContact CG-CE2 3.76Å; H360-F430 AromaticContact NE2-CD2 3.7Å; Y363-F430 HydrophobicContact CD2-CB 3.98Å; Y363-F430 HydrophobicContact CD2-CD1 4.13Å; Y363-F430 AromaticContact CD2-CD2 3.77Å; Y363-F430 HydrophobicContact CD2-CD2 3.77Å; Y363-F430 HydrophobicContact CD2-CE2 4.22Å; Y363-F430 AromaticContact CD2-CG 3.69Å; Y363-F430 HydrophobicContact CD2-CG 3.69Å; Y363-F430 HydrophobicContact CE2-CB 4.19Å; Y363-F430 HydrophobicContact CE2-CG 4.39Å; Y363-F430 HydrophobicContact CG-CD1 4.34Å; Y363-F430 HydrophobicContact CG-CD2 4.39Å; Y363-F430 HydrophobicContact CG-CE1 4.37Å; Y363-F430 HydrophobicContact CG-CE2 4.44Å; Y363-F430 HydrophobicContact CG-CG 4.32Å; Y363-F430 HydrophobicContact CG-CZ 4.39Å; I365-F430 HydrophobicContact CG1-CE2 4.36Å; I365-F430 HydrophobicContact CG1-CZ 4.39Å; W421-F430 CarbonylContact C-O 3.56Å; W421-F430 VanDerWaalsContact CA-O 3.22Å; W421-F430 WeakPolarHBondContact CA-O 3.31Å; W421-F430 WeakPolarHBondContact CB-O 3.48Å; S422-F430 PolarHBondContact N-O 2.88Å; S422-F430 WeakPolarHBondContact O-CD1 3.38Å; S422-F430 PolarHBondContact O-N 3.5Å; K424-F430 HydrophobicContact CB-CD1 3.92Å; K424-F430 HydrophobicContact CB-CE1 4.47Å; F430-I432 HydrophobicContact CE2-CG1 4.2Å
431	T	87.3	Confident	82.9	Confident	28 Å²	28	58.5 Å²	58.5	17%	0.172	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	129.4	174.2	-53.7	0	0	0	0	108.5	H360 K419 E458	H360-T431 PolarHBondContact CD2-O 3.33Å; K419-T431 HydrophobicContact CD-CG2 4.34Å; K419-T431 VanDerWaalsContact CE-CG2 3.44Å; K419-T431 WeakPolarHBondContact CE-OG1 3.4Å; K419-T431 HydrophobicContact CG-CG2 4.04Å; K419-T431 PolarHBondContact NZ-OG1 3.02Å; K419-T431 VanDerWaalsContact NZ-OG1 3.13Å; T431-E458 WeakPolarHBondContact CB-OE2 3.42Å; T431-E458 HydrophobicContact CG2-CB 4.31Å; T431-E458 PolarHBondContact OG1-OE2 2.91Å
432	I	88.8	Confident	81.9	Confident	1 Å²	1	57.4 Å²	57.4	1%	0.005	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	-55.1	170.1	-60.1	165.4	0	0	0	107.4	T331 L358 I365 P368 L420 F430	T331-I432 WeakPolarHBondContact CG2-O 3.47Å; L358-I432 HydrophobicContact CD1-CD1 4.42Å; L358-I432 HydrophobicContact CD2-CG2 4.35Å; I365-I432 HydrophobicContact CD1-CD1 4.26Å; I365-I432 HydrophobicContact CD1-CG1 4.19Å; I365-I432 HydrophobicContact CD1-CG2 3.8Å; I365-I432 HydrophobicContact CG1-CD1 4.48Å; I365-I432 HydrophobicContact CG1-CG1 4.35Å; I365-I432 HydrophobicContact CG2-CD1 3.57Å; I365-I432 HydrophobicContact CG2-CG1 4.27Å; P368-I432 HydrophobicContact CB-CD1 3.9Å; L420-I432 HydrophobicContact CB-CB 4.12Å; L420-I432 HydrophobicContact CB-CD1 4.33Å; L420-I432 PolarHBondContact O-N 2.92Å; F430-I432 HydrophobicContact CE2-CG1 4.2Å
433	G	87.7	Confident	80.6	Confident	0 Å²	0	63.6 Å²	63.6	0%	0	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-176.8	179.4	176.9	0	0	0	0	0	110.6	L420 I456	L420-G433 PolarHBondContact N-O 3.17Å; L420-G433 PolarHBondContact O-N 3.5Å; G433-I456 CarbonylContact C-O 3.57Å; G433-I456 WeakPolarHBondContact CA-O 3.44Å
434	Q	89.2	Confident	79.3	Confident	18 Å²	18	56.5 Å²	56.5	8%	0.084	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	161.4	176.2	67.6	-177	21	0	0	111.9	I418 K419 L455 I456	I418-Q434 CarbonylContact O-C 3.54Å; I418-Q434 WeakPolarHBondContact O-CA 3.33Å; K419-Q434 HydrophobicContact CB-CB 4.26Å; Q434-L455 WeakPolarHBondContact O-CA 3.35Å; Q434-I456 HydrophobicContact CG-CD1 4.16Å; Q434-I456 HydrophobicContact CG-CG1 3.75Å; Q434-I456 PolarHBondContact N-O 3.17Å; Q434-I456 WeakPolarHBondContact O-CG1 3.42Å; Q434-I456 PolarHBondContact O-N 3.44Å
435	A	87.8	Confident	78.3	Confident	3 Å²	3	53.3 Å²	53.3	3%	0.025	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	136.3	166.9	0	0	0	0	0	109.1	I335 V417 I418 F453	I335-A435 HydrophobicContact CD1-CB 3.36Å; I335-A435 HydrophobicContact CG1-CB 4.02Å; V417-A435 WeakPolarHBondContact CA-O 3.32Å; I418-A435 PolarHBondContact N-O 3.16Å; I418-A435 PolarHBondContact O-N 2.91Å; A435-F453 HydrophobicContact CB-CB 4Å
436	V	85.5	Confident	77.2	Confident	37 Å²	37	58.2 Å²	58.2	22%	0.224	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	116.1	-179.2	-179.1	0	0	0	0	107.6	I415 V417 I456 I462	I415-V436 HydrophobicContact CG2-CG1 3.59Å; V417-V436 HydrophobicContact CG2-CG2 4.45Å; V436-I456 HydrophobicContact CG2-CD1 4.09Å; V436-I462 HydrophobicContact CB-CG2 4.46Å
437	I	85	Confident	76.4	Confident	3 Å²	3	52.4 Å²	52.4	2%	0.015	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	97.4	-171.8	-47.6	166.5	0	0	0	109.2	V337 M339 I416 I418 I439 C442 F453	V337-I437 HydrophobicContact CG1-CD1 4.3Å; M339-I437 HydrophobicContact CE-CB 4.03Å; M339-I437 HydrophobicContact CE-CD1 3.73Å; M339-I437 HydrophobicContact CE-CG1 4.48Å; M339-I437 HydrophobicContact CE-CG2 3.5Å; M339-I437 VanDerWaalsContact CE-CG2 3.5Å; I416-I437 HydrophobicContact CB-CB 4.46Å; I416-I437 PolarHBondContact N-O 2.8Å; I416-I437 PolarHBondContact O-N 2.83Å; I418-I437 HydrophobicContact CD1-CD1 4.3Å; I437-I439 PolarHBondContact O-N 3.44Å; I437-C442 HydrophobicContact CG2-CB 3.99Å; I437-C442 VanDerWaalsContact CG2-SG 3.57Å; I437-F453 HydrophobicContact CB-CE1 4.44Å; I437-F453 HydrophobicContact CD1-CD1 4.14Å; I437-F453 HydrophobicContact CD1-CD2 3.72Å; I437-F453 HydrophobicContact CD1-CE1 4.02Å; I437-F453 HydrophobicContact CD1-CE2 3.59Å; I437-F453 HydrophobicContact CD1-CG 4Å; I437-F453 HydrophobicContact CD1-CZ 3.74Å; I437-F453 HydrophobicContact CG1-CD1 3.87Å; I437-F453 HydrophobicContact CG1-CD2 4.37Å; I437-F453 HydrophobicContact CG1-CE1 3.76Å; I437-F453 HydrophobicContact CG1-CE2 4.28Å; I437-F453 HydrophobicContact CG1-CG 4.18Å; I437-F453 HydrophobicContact CG1-CZ 3.98Å; I437-F453 HydrophobicContact CG2-CE1 3.89Å; I437-F453 HydrophobicContact CG2-CZ 3.86Å
438	P	82.1	Confident	75.5	Confident	23 Å²	23	49.8 Å²	49.8	15%	0.149	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	121.5	171.8	-14.2	28.4	0	0	0	110.3	I415 K440 E441 C442 N469	I415-P438 HydrophobicContact CG1-CB 4.02Å; I415-P438 HydrophobicContact CG1-CG 4.36Å; P438-K440 PolarHBondContact O-N 2.77Å; P438-E441 PolarHBondContact O-N 2.89Å; P438-E441 VanDerWaalsContact O-N 3.13Å; P438-C442 WeakPolarHBondContact O-CB 3.3Å; P438-C442 PolarHBondContact O-N 2.95Å; P438-N469 VanDerWaalsContact CB-ND2 3.29Å; P438-N469 WeakPolarHBondContact CB-ND2 3.45Å
439	I	81.8	Confident	74.6	Confident	3 Å²	3	50.7 Å²	50.7	2%	0.015	27%	0.267	C	S	.	.	G	3₁₀ helix	trans	-62	-33.6	-175	-66.5	-172.4	0	0	0	111.6	L348 L374 L411 K414 I416 I437 E441 C442 L445	L348-I439 HydrophobicContact CD1-CD1 4.32Å; L348-I439 HydrophobicContact CD2-CD1 3.33Å; L348-I439 HydrophobicContact CG-CD1 4.46Å; L374-I439 HydrophobicContact CD1-CD1 4.38Å; L411-I439 HydrophobicContact CB-CG2 4.29Å; L411-I439 HydrophobicContact CD2-CD1 4.37Å; L411-I439 WeakPolarHBondContact O-CB 3.43Å; L411-I439 WeakPolarHBondContact O-CG2 3.32Å; K414-I439 HydrophobicContact CB-CD1 3.72Å; K414-I439 HydrophobicContact CB-CG1 4.39Å; K414-I439 VanDerWaalsContact O-CB 3.31Å; K414-I439 WeakPolarHBondContact O-CB 3.23Å; K414-I439 VanDerWaalsContact O-CG1 3.27Å; K414-I439 WeakPolarHBondContact O-CG1 3.37Å; K414-I439 PolarHBondContact O-N 2.63Å; I416-I439 HydrophobicContact CD1-CD1 3.98Å; I416-I439 HydrophobicContact CD1-CG1 3.99Å; I416-I439 HydrophobicContact CG1-CD1 4.18Å; I416-I439 HydrophobicContact CG1-CG1 4.26Å; I437-I439 PolarHBondContact O-N 3.44Å; I439-E441 PolarHBondContact O-N 2.98Å; I439-C442 PolarHBondContact O-N 2.94Å; I439-C442 VanDerWaalsContact O-N 3.1Å; I439-L445 HydrophobicContact CG2-CD1 3.21Å; I439-L445 HydrophobicContact CG2-CD2 4.42Å; I439-L445 HydrophobicContact CG2-CG 3.89Å
440	K	76	Confident	74.5	Confident	126 Å²	126	51 Å²	51	55%	0.548	26%	0.264	S	S	.	.	G	3₁₀ helix	trans	-57	-34.1	178.2	-173.8	-173.2	172.9	-166.2	0	113.6	N412 P438 N469	N412-K440 HydrophobicContact CB-CB 4.47Å; N412-K440 HydrophobicContact CB-CG 4.46Å; P438-K440 PolarHBondContact O-N 2.77Å; K440-N469 WeakPolarHBondContact CD-OD1 3.34Å
441	E	67.5	Low	74.4	Confident	99 Å²	99	53.9 Å²	53.9	46%	0.463	28%	0.277	S	S	.	.	G	3₁₀ helix	trans	-97.3	-5.6	-177.8	-72.7	149.4	-129.4	0	0	112.1	P438 I439 N443 V468 N469	P438-E441 PolarHBondContact O-N 2.89Å; P438-E441 VanDerWaalsContact O-N 3.13Å; I439-E441 PolarHBondContact O-N 2.98Å; E441-N443 PolarHBondContact O-N 2.74Å; E441-V468 WeakPolarHBondContact OE1-CG1 3.33Å; E441-V468 VanDerWaalsContact OE2-CG1 3.24Å; E441-V468 WeakPolarHBondContact OE2-CG1 3.31Å; E441-N469 PolarHBondContact OE1-ND2 2.96Å
442	C	68.2	Low	74.5	Confident	8 Å²	8	58.9 Å²	58.9	5%	0.054	29%	0.294	C	S	.	.			trans	-93.4	108.6	-171.6	-157.4	0	0	0	0	110.7	I437 P438 I439 L444	I437-C442 HydrophobicContact CG2-CB 3.99Å; I437-C442 VanDerWaalsContact CG2-SG 3.57Å; P438-C442 WeakPolarHBondContact O-CB 3.3Å; P438-C442 PolarHBondContact O-N 2.95Å; I439-C442 PolarHBondContact O-N 2.94Å; I439-C442 VanDerWaalsContact O-N 3.1Å; C442-L444 PolarHBondContact O-N 2.87Å; C442-L444 VanDerWaalsContact O-N 3.11Å; C442-L444 WeakPolarHBondContact SG-CB 3.31Å; C442-L444 WeakPolarHBondContact SG-CD1 3.28Å; C442-L444 WeakPolarHBondContact SG-CG 3.39Å
443	N	62.3	Low	74.4	Confident	131 Å²	131	60.5 Å²	60.5	70%	0.701	30%	0.301	S	S	*	.	G	3₁₀ helix	trans	-64.4	-10	172.7	-70.4	-16.4	0	0	0	113.1	E441 L445 F446 S447	E441-N443 PolarHBondContact O-N 2.74Å; N443-L445 VanDerWaalsContact C-N 3.25Å; N443-L445 PolarHBondContact O-N 2.75Å; N443-F446 PolarHBondContact O-N 3.44Å; N443-F446 VanDerWaalsContact O-N 3.14Å; N443-S447 PolarHBondContact O-N 3.45Å
444	L	58.3	Low	74.4	Confident	4 Å²	4	69.9 Å²	69.9	2%	0.021	34%	0.336	C	S	.	.	G	3₁₀ helix	trans	-59.1	-31.1	179.8	-69.6	-178.5	0	0	0	113.6	M339 C442 F446 S447 C449 Q451 F453	M339-L444 HydrophobicContact CB-CB 3.97Å; M339-L444 HydrophobicContact CE-CD1 3.62Å; M339-L444 HydrophobicContact CG-CB 4.1Å; M339-L444 HydrophobicContact CG-CD1 4.01Å; M339-L444 HydrophobicContact SD-CB 4.2Å; M339-L444 HydrophobicContact SD-CD1 4.17Å; C442-L444 PolarHBondContact O-N 2.87Å; C442-L444 VanDerWaalsContact O-N 3.11Å; C442-L444 WeakPolarHBondContact SG-CB 3.31Å; C442-L444 WeakPolarHBondContact SG-CD1 3.28Å; C442-L444 WeakPolarHBondContact SG-CG 3.39Å; L444-F446 PolarHBondContact O-N 3.26Å; L444-F446 VanDerWaalsContact O-N 3.13Å; L444-S447 CarbonylContact O-C 3.51Å; L444-S447 PolarHBondContact O-N 3.42Å; L444-C449 WeakPolarHBondContact CD2-O 3.44Å; L444-Q451 HydrophobicContact CD1-CB 4.06Å; L444-Q451 HydrophobicContact CD2-CB 3.55Å; L444-Q451 HydrophobicContact CG-CB 4.15Å; L444-F453 HydrophobicContact CD1-CE2 3.83Å; L444-F453 HydrophobicContact CD1-CZ 3.82Å
445	L	58.9	Low	74.4	Confident	23 Å²	23	69.5 Å²	69.5	12%	0.12	34%	0.335	C	S	.	.	G	3₁₀ helix	trans	-62.5	-23.6	178.7	-74.3	-169.9	0	0	0	113.7	M339 L348 L411 I439 N443	M339-L445 HydrophobicContact CB-CD2 4.21Å; L348-L445 HydrophobicContact CD1-CD2 3.5Å; L411-L445 HydrophobicContact CD1-CD1 4.27Å; I439-L445 HydrophobicContact CG2-CD1 3.21Å; I439-L445 HydrophobicContact CG2-CD2 4.42Å; I439-L445 HydrophobicContact CG2-CG 3.89Å; N443-L445 VanDerWaalsContact C-N 3.25Å; N443-L445 PolarHBondContact O-N 2.75Å
446	F	55	Low	74.2	Confident	161 Å²	161	71.2 Å²	71.2	71%	0.706	34%	0.343	S	S	*	.	G	3₁₀ helix	trans	-109.8	2.8	-175.4	-54.7	-71.4	0	0	0	112.4	N443 L444	N443-F446 PolarHBondContact O-N 3.44Å; N443-F446 VanDerWaalsContact O-N 3.14Å; L444-F446 PolarHBondContact O-N 3.26Å; L444-F446 VanDerWaalsContact O-N 3.13Å
447	S	56	Low	73.6	Confident	47 Å²	47	71 Å²	71	33%	0.329	34%	0.343	S	S	.	.			trans	-142.4	118.7	-175.1	177.6	0	0	0	0	108.9	N443 L444 C449	N443-S447 PolarHBondContact O-N 3.45Å; L444-S447 CarbonylContact O-C 3.51Å; L444-S447 PolarHBondContact O-N 3.42Å; S447-C449 PolarHBondContact O-N 2.79Å; S447-C449 VanDerWaalsContact OG-CB 3.26Å; S447-C449 WeakPolarHBondContact OG-CB 3.31Å; S447-C449 PolarHBondContact OG-N 2.93Å; S447-C449 PolarHBondContact OG-SG 2.79Å
448	T	55.5	Low	72.8	Confident	133 Å²	133	75.2 Å²	75.2	82%	0.816	36%	0.363	S	S	*	.			trans	-66.6	7.7	173.6	56.2	0	0	0	0	113
449	C	61.9	Low	71.3	Confident	77 Å²	77	80.8 Å²	80.8	52%	0.52	39%	0.391	S	S	.	.			trans	-71.6	141.2	178.8	-66.3	0	0	0	0	110.9	L444 S447	L444-C449 WeakPolarHBondContact CD2-O 3.44Å; S447-C449 PolarHBondContact O-N 2.79Å; S447-C449 VanDerWaalsContact OG-CB 3.26Å; S447-C449 WeakPolarHBondContact OG-CB 3.31Å; S447-C449 PolarHBondContact OG-N 2.93Å; S447-C449 PolarHBondContact OG-SG 2.79Å
450	R	83.7	Confident	69.7	Low	128 Å²	128	83.2 Å²	83.2	48%	0.483	41%	0.405	S	S	.	.			trans	-71	139.2	167.9	-72.9	-175.3	-167.3	-177.4	0.9	110.2	D336 W353	D336-R450 VanDerWaalsContact OD1-CB 3.24Å; D336-R450 WeakPolarHBondContact OD1-CB 3.47Å; D336-R450 WeakPolarHBondContact OD1-CD 3.22Å; D336-R450 WeakPolarHBondContact OD2-CD 3.28Å; D336-R450 IonicContact OD2-NH1 2.6Å; W353-R450 VanDerWaalsContact CD2-CZ 3.41Å
451	Q	84.9	Confident	68.3	Low	78 Å²	78	80.3 Å²	80.3	36%	0.364	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	139.8	175.8	-175.5	170.9	11.5	0	0	110.6	V337 L444 F453	V337-Q451 PolarHBondContact N-O 2.78Å; V337-Q451 PolarHBondContact O-N 2.76Å; L444-Q451 HydrophobicContact CD1-CB 4.06Å; L444-Q451 HydrophobicContact CD2-CB 3.55Å; L444-Q451 HydrophobicContact CG-CB 4.15Å; Q451-F453 HydrophobicContact CB-CE2 3.91Å; Q451-F453 HydrophobicContact CB-CZ 4.21Å; Q451-F453 HydrophobicContact CG-CE1 4.47Å; Q451-F453 HydrophobicContact CG-CE2 3.91Å; Q451-F453 HydrophobicContact CG-CZ 3.88Å
452	Y	87.5	Confident	67.4	Low	133 Å²	133	79.4 Å²	79.4	52%	0.522	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	131.8	176.1	-62.3	-83.8	0	0	0	110.4	I335 D336	I335-Y452 CarbonylContact O-C 3.56Å; I335-Y452 VanDerWaalsContact O-CA 3.27Å; I335-Y452 WeakPolarHBondContact O-CA 3.41Å; D336-Y452 HydrophobicContact CB-CD1 4.09Å; D336-Y452 HydrophobicContact CB-CE1 3.83Å
453	F	87.7	Confident	66.4	Low	35 Å²	35	84.3 Å²	84.3	15%	0.154	42%	0.422	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	127.5	173.8	-63	-88.9	0	0	0	109.7	E334 I335 V337 A435 I437 L444 Q451	E334-F453 CarbonylContact C-O 3.56Å; E334-F453 VanDerWaalsContact CA-O 3.26Å; E334-F453 WeakPolarHBondContact CA-O 3.35Å; I335-F453 HydrophobicContact CD1-CB 4.48Å; I335-F453 HydrophobicContact CG1-CB 3.88Å; I335-F453 PolarHBondContact N-O 2.78Å; I335-F453 PolarHBondContact O-N 2.86Å; V337-F453 HydrophobicContact CB-CD2 4.04Å; V337-F453 HydrophobicContact CB-CE2 3.96Å; V337-F453 HydrophobicContact CG2-CD2 4.03Å; V337-F453 HydrophobicContact CG2-CE2 4.43Å; A435-F453 HydrophobicContact CB-CB 4Å; I437-F453 HydrophobicContact CB-CE1 4.44Å; I437-F453 HydrophobicContact CD1-CD1 4.14Å; I437-F453 HydrophobicContact CD1-CD2 3.72Å; I437-F453 HydrophobicContact CD1-CE1 4.02Å; I437-F453 HydrophobicContact CD1-CE2 3.59Å; I437-F453 HydrophobicContact CD1-CG 4Å; I437-F453 HydrophobicContact CD1-CZ 3.74Å; I437-F453 HydrophobicContact CG1-CD1 3.87Å; I437-F453 HydrophobicContact CG1-CD2 4.37Å; I437-F453 HydrophobicContact CG1-CE1 3.76Å; I437-F453 HydrophobicContact CG1-CE2 4.28Å; I437-F453 HydrophobicContact CG1-CG 4.18Å; I437-F453 HydrophobicContact CG1-CZ 3.98Å; I437-F453 HydrophobicContact CG2-CE1 3.89Å; I437-F453 HydrophobicContact CG2-CZ 3.86Å; L444-F453 HydrophobicContact CD1-CE2 3.83Å; L444-F453 HydrophobicContact CD1-CZ 3.82Å; Q451-F453 HydrophobicContact CB-CE2 3.91Å; Q451-F453 HydrophobicContact CB-CZ 4.21Å; Q451-F453 HydrophobicContact CG-CE1 4.47Å; Q451-F453 HydrophobicContact CG-CE2 3.91Å; Q451-F453 HydrophobicContact CG-CZ 3.88Å
454	R	88.5	Confident	65.6	Low	197 Å²	197	81.8 Å²	81.8	74%	0.743	41%	0.408	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-67.6	137.8	172.2	-72.7	-178.7	178.6	175.4	2.3	110.4	E334	E334-R454 HydrophobicContact CG-CG 4.04Å; E334-R454 WeakPolarHBondContact OE1-CG 3.49Å; E334-R454 IonicContact OE1-NE 2.86Å; E334-R454 PolarHBondContact OE1-NE 2.8Å
455	L	88.5	Confident	64.9	Low	10 Å²	10	85.9 Å²	85.9	5%	0.052	43%	0.429	C	S	.	.			trans	-73.7	135.1	173.6	-66.9	173.3	0	0	0	109.9	T331 G333 I335 L358 L420 Q434	T331-L455 HydrophobicContact CG2-CB 4.26Å; G333-L455 WeakPolarHBondContact O-CB 3.4Å; G333-L455 PolarHBondContact O-N 2.83Å; I335-L455 HydrophobicContact CG2-CD2 3.78Å; I335-L455 HydrophobicContact CG2-CG 4.3Å; L358-L455 HydrophobicContact CD2-CD1 3.4Å; L420-L455 HydrophobicContact CD1-CD1 3.77Å; L420-L455 HydrophobicContact CD1-CD2 4.1Å; L420-L455 HydrophobicContact CG-CD2 4.38Å; Q434-L455 WeakPolarHBondContact O-CA 3.35Å
456	I	83.6	Confident	64.3	Low	39 Å²	39	86.4 Å²	86.4	20%	0.2	44%	0.435	C	S	.	.	B	Isolated β-bridge	trans	-108.6	148.9	171.5	56	167.6	0	0	0	109.4	G433 Q434 V436 I462	G433-I456 CarbonylContact C-O 3.57Å; G433-I456 WeakPolarHBondContact CA-O 3.44Å; Q434-I456 HydrophobicContact CG-CD1 4.16Å; Q434-I456 HydrophobicContact CG-CG1 3.75Å; Q434-I456 PolarHBondContact N-O 3.17Å; Q434-I456 WeakPolarHBondContact O-CG1 3.42Å; Q434-I456 PolarHBondContact O-N 3.44Å; V436-I456 HydrophobicContact CG2-CD1 4.09Å; I456-I462 HydrophobicContact CD1-CB 3.65Å; I456-I462 HydrophobicContact CD1-CD1 3.63Å; I456-I462 HydrophobicContact CD1-CG1 3.85Å; I456-I462 HydrophobicContact CD1-CG2 4.27Å; I456-I462 HydrophobicContact CG2-CD1 4.4Å
457	S	72.8	Confident	63.7	Low	33 Å²	33	88 Å²	88	23%	0.231	44%	0.441	C	S	.	.			trans	-64.9	147.6	172.2	-177.5	0	0	0	0	110.6	N459 N460	S457-N459 PolarHBondContact O-N 2.9Å; S457-N459 PolarHBondContact OG-N 2.63Å; S457-N460 PolarHBondContact O-N 3.22Å; S457-N460 VanDerWaalsContact O-N 3.11Å
458	E	68	Low	63.2	Low	91 Å²	91	89 Å²	89	43%	0.425	45%	0.445	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-24.7	174.9	-173.1	164.4	-157.7	0	0	112.1	K419 T431	K419-E458 IonicContact NZ-OE1 2.83Å; K419-E458 PolarHBondContact NZ-OE1 3.5Å; K419-E458 IonicContact NZ-OE2 2.81Å; K419-E458 PolarHBondContact NZ-OE2 3.1Å; T431-E458 WeakPolarHBondContact CB-OE2 3.42Å; T431-E458 HydrophobicContact CG2-CB 4.31Å; T431-E458 PolarHBondContact OG1-OE2 2.91Å
459	N	51.7	Low	62.7	Low	140 Å²	140	83.1 Å²	83.1	75%	0.749	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.2	-23.5	177.9	-64.1	-4.9	0	0	0	112.6	S457 S461	S457-N459 PolarHBondContact O-N 2.9Å; S457-N459 PolarHBondContact OG-N 2.63Å; N459-S461 VanDerWaalsContact C-N 3.25Å; N459-S461 PolarHBondContact O-N 3.16Å
460	N	47.5	Very low	61.9	Low	55 Å²	55	83.1 Å²	83.1	29%	0.294	41%	0.409	S	S	.	.	S	Bend	trans	-72.4	97.9	164	-91.9	4.4	0	0	0	105.6	D328 S457 I462	D328-N460 PolarHBondContact OD1-ND2 2.86Å; S457-N460 PolarHBondContact O-N 3.22Å; S457-N460 VanDerWaalsContact O-N 3.11Å; N460-I462 HydrophobicContact CB-CG1 4.44Å; N460-I462 PolarHBondContact O-N 3.41Å
461	S	47.2	Very low	60	Low	65 Å²	65	78.8 Å²	78.8	46%	0.455	40%	0.401	S	S	.	.			trans	-69	65.4	-173.3	59.9	0	0	0	0	110.8	N459 I463 I464	N459-S461 VanDerWaalsContact C-N 3.25Å; N459-S461 PolarHBondContact O-N 3.16Å; S461-I463 PolarHBondContact O-N 3.47Å; S461-I464 WeakPolarHBondContact O-CA 3.44Å; S461-I464 WeakPolarHBondContact O-CB 3.37Å; S461-I464 WeakPolarHBondContact O-CG1 3.2Å; S461-I464 PolarHBondContact O-N 3.43Å; S461-I464 WeakPolarHBondContact OG-CD1 3.31Å
462	I	46.8	Very low	58.4	Low	80 Å²	80	76.6 Å²	76.6	41%	0.41	39%	0.39	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88	55.7	172.7	-50.8	-169.2	0	0	0	107.4	V436 I456 N460	V436-I462 HydrophobicContact CB-CG2 4.46Å; I456-I462 HydrophobicContact CD1-CB 3.65Å; I456-I462 HydrophobicContact CD1-CD1 3.63Å; I456-I462 HydrophobicContact CD1-CG1 3.85Å; I456-I462 HydrophobicContact CD1-CG2 4.27Å; I456-I462 HydrophobicContact CG2-CD1 4.4Å; N460-I462 HydrophobicContact CB-CG1 4.44Å; N460-I462 PolarHBondContact O-N 3.41Å
463	I	47.9	Very low	57.2	Low	111 Å²	111	72.2 Å²	72.2	57%	0.569	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-126.3	24	140.6	-43	178.6	0	0	0	107.1	S461 Y473	S461-I463 PolarHBondContact O-N 3.47Å; I463-Y473 HydrophobicContact CG2-CE1 4.23Å; I463-Y473 WeakPolarHBondContact O-CE1 3.24Å; I463-Y473 PolarHBondContact O-OH 3.03Å
464	I	46.3	Very low	56.5	Low	77 Å²	77	71.7 Å²	71.7	40%	0.395	37%	0.374	S	S	.	.			trans	-133.4	25.5	-170	-42.9	-169.3	0	0	0	112.6	S461 P466	S461-I464 WeakPolarHBondContact O-CA 3.44Å; S461-I464 WeakPolarHBondContact O-CB 3.37Å; S461-I464 WeakPolarHBondContact O-CG1 3.2Å; S461-I464 PolarHBondContact O-N 3.43Å; S461-I464 WeakPolarHBondContact OG-CD1 3.31Å; I464-P466 VanDerWaalsContact C-CD 3.48Å; I464-P466 VanDerWaalsContact O-CD 3.25Å; I464-P466 WeakPolarHBondContact O-CD 3.33Å
465	N	43.5	Very low	56.4	Low	90 Å²	90	63.8 Å²	63.8	48%	0.481	35%	0.345	S	S	.	.			trans	-111	85.2	161.4	-143.9	-19.4	0	0	0	111.4	K467 V468	N465-K467 PolarHBondContact O-N 3.38Å; N465-V468 HydrophobicContact CB-CG2 4.35Å; N465-V468 PolarHBondContact O-N 3.26Å
466	P	45.2	Very low	56.5	Low	35 Å²	35	63.3 Å²	63.3	23%	0.227	34%	0.343	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-12.7	178.4	24.1	-33	0	0	0	113.2	I464 Y473	I464-P466 VanDerWaalsContact C-CD 3.48Å; I464-P466 VanDerWaalsContact O-CD 3.25Å; I464-P466 WeakPolarHBondContact O-CD 3.33Å; P466-Y473 HydrophobicContact CB-CD2 4.41Å; P466-Y473 HydrophobicContact CB-CE2 4.41Å
467	K	43.6	Very low	56.9	Low	193 Å²	193	64.4 Å²	64.4	84%	0.839	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.8	-26.4	177	-68.7	-175.3	176.1	179.3	0	114	N465	N465-K467 PolarHBondContact O-N 3.38Å
468	V	44	Very low	58	Low	70 Å²	70	62.9 Å²	62.9	42%	0.424	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.6	-32.6	-173.7	-177.7	0	0	0	0	110.9	E441 N465	E441-V468 WeakPolarHBondContact OE1-CG1 3.33Å; E441-V468 VanDerWaalsContact OE2-CG1 3.24Å; E441-V468 WeakPolarHBondContact OE2-CG1 3.31Å; N465-V468 HydrophobicContact CB-CG2 4.35Å; N465-V468 PolarHBondContact O-N 3.26Å
469	N	45.8	Very low	59.3	Low	8 Å²	8	58.6 Å²	58.6	4%	0.043	32%	0.315	C	S	.	.			trans	-158.3	81.2	-175.3	-105.3	-32.3	0	0	0	113.5	P438 K440 E441 A471 Y472 Y473	P438-N469 VanDerWaalsContact CB-ND2 3.29Å; P438-N469 WeakPolarHBondContact CB-ND2 3.45Å; K440-N469 WeakPolarHBondContact CD-OD1 3.34Å; E441-N469 PolarHBondContact OE1-ND2 2.96Å; N469-A471 PolarHBondContact O-N 2.92Å; N469-Y472 HydrophobicContact CB-CD2 3.37Å; N469-Y472 HydrophobicContact CB-CE2 3.49Å; N469-Y472 VanDerWaalsContact CB-CE2 3.49Å; N469-Y472 HydrophobicContact CB-CG 4.38Å; N469-Y472 WeakPolarHBondContact O-CD2 3.1Å; N469-Y472 PolarHBondContact O-N 2.81Å; N469-Y473 WeakPolarHBondContact O-CD2 3.23Å
470	S	45.4	Very low	61.3	Low	77 Å²	77	51.9 Å²	51.9	54%	0.538	28%	0.28	S	S	.	.	G	3₁₀ helix	trans	-61.4	-19.5	176.9	55.6	0	0	0	0	114.4	Y472	S470-Y472 PolarHBondContact O-N 2.85Å; S470-Y472 VanDerWaalsContact O-N 3.11Å
471	A	43.6	Very low	63.5	Low	38 Å²	38	52.6 Å²	52.6	31%	0.314	28%	0.278	S	S	.	.	G	3₁₀ helix	trans	-67.4	-7.4	179.1	0	0	0	0	0	114.5	K413 N469 N514	K413-A471 HydrophobicContact CG-CB 4.49Å; N469-A471 PolarHBondContact O-N 2.92Å; A471-N514 PolarHBondContact O-ND2 2.85Å
472	Y	52	Low	65.7	Low	32 Å²	32	49.6 Å²	49.6	13%	0.125	26%	0.257	C	S	.	.	G	3₁₀ helix	trans	-111.4	-17.7	-168.4	-67.2	-96.4	0	0	0	114	N412 K413 K414 I415 N469 S470	N412-Y472 PolarHBondContact O-OH 2.76Å; K413-Y472 VanDerWaalsContact CA-CZ 3.42Å; K413-Y472 VanDerWaalsContact CA-OH 3.26Å; K413-Y472 WeakPolarHBondContact CA-OH 3.35Å; K413-Y472 WeakPolarHBondContact O-CD1 3.33Å; K413-Y472 WeakPolarHBondContact O-CE1 3.5Å; K414-Y472 VanDerWaalsContact C-OH 3.28Å; K414-Y472 PolarHBondContact N-OH 2.87Å; K414-Y472 PolarHBondContact O-OH 3.39Å; I415-Y472 HydrophobicContact CB-CE1 4.07Å; I415-Y472 HydrophobicContact CD1-CD1 3.27Å; I415-Y472 HydrophobicContact CD1-CD2 4.21Å; I415-Y472 HydrophobicContact CD1-CE1 3.4Å; I415-Y472 HydrophobicContact CD1-CE2 4.35Å; I415-Y472 HydrophobicContact CD1-CG 3.65Å; I415-Y472 HydrophobicContact CG1-CD1 3.76Å; I415-Y472 HydrophobicContact CG1-CE1 3.3Å; I415-Y472 HydrophobicContact CG1-CE2 4.5Å; I415-Y472 HydrophobicContact CG1-CG 4.45Å; N469-Y472 HydrophobicContact CB-CD2 3.37Å; N469-Y472 HydrophobicContact CB-CE2 3.49Å; N469-Y472 VanDerWaalsContact CB-CE2 3.49Å; N469-Y472 HydrophobicContact CB-CG 4.38Å; N469-Y472 WeakPolarHBondContact O-CD2 3.1Å; N469-Y472 PolarHBondContact O-N 2.81Å; S470-Y472 PolarHBondContact O-N 2.85Å; S470-Y472 VanDerWaalsContact O-N 3.11Å
473	Y	60.6	Low	67.9	Low	40 Å²	40	47 Å²	47	16%	0.157	25%	0.247	C	C	.	.	S	Bend	trans	-90.6	127.2	-179.3	-66.2	-84	0	0	0	108	I463 P466 N469 Q475	I463-Y473 HydrophobicContact CG2-CE1 4.23Å; I463-Y473 WeakPolarHBondContact O-CE1 3.24Å; I463-Y473 PolarHBondContact O-OH 3.03Å; P466-Y473 HydrophobicContact CB-CD2 4.41Å; P466-Y473 HydrophobicContact CB-CE2 4.41Å; N469-Y473 WeakPolarHBondContact O-CD2 3.23Å; Y473-Q475 PolarHBondContact O-N 3.27Å
474	S	73.6	Confident	69.9	Low	25 Å²	25	42.3 Å²	42.3	18%	0.175	22%	0.223	C	C	.	.			trans	-57.6	128.3	162.9	-58.7	0	0	0	0	107.2	K513 N514 I648	S474-K513 CarbonylContact C-O 3.55Å; S474-K513 WeakPolarHBondContact CA-O 3.4Å; S474-N514 WeakPolarHBondContact CB-O 3.29Å; S474-N514 PolarHBondContact OG-O 2.68Å; S474-I648 WeakPolarHBondContact O-CB 3.36Å; S474-I648 PolarHBondContact O-N 3.29Å
475	Q	86.3	Confident	71.9	Confident	31 Å²	31	41.3 Å²	41.3	15%	0.145	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	151.9	179.7	-68.1	-178.9	-28.1	0	0	109.9	Y473 G512 K513 L645 L646 N647	Y473-Q475 PolarHBondContact O-N 3.27Å; Q475-G512 CarbonylContact O-C 3.47Å; Q475-G512 WeakPolarHBondContact O-CA 3.46Å; Q475-K513 HydrophobicContact CB-CB 4.31Å; Q475-K513 PolarHBondContact N-O 2.75Å; Q475-K513 PolarHBondContact O-N 3.45Å; Q475-L645 HydrophobicContact CB-CD1 4.03Å; Q475-L646 CarbonylContact C-O 3.54Å; Q475-L646 VanDerWaalsContact CA-O 3.28Å; Q475-L646 WeakPolarHBondContact CA-O 2.88Å; Q475-N647 WeakPolarHBondContact CG-OD1 3.31Å; Q475-N647 PolarHBondContact NE2-OD1 2.66Å
476	I	91.4	Very high	73.8	Confident	0 Å²	0	42.2 Å²	42.2	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	130.6	171	-171	165.6	0	0	0	109.3	I509 V528 W555 I576 I578 V594 L646 I648	I476-I509 HydrophobicContact CD1-CG2 4.22Å; I476-V528 HydrophobicContact CD1-CG1 4.27Å; I476-V528 HydrophobicContact CD1-CG2 4.2Å; I476-W555 HydrophobicContact CD1-CZ3 4.2Å; I476-W555 HydrophobicContact CG1-CZ3 4.26Å; I476-I576 HydrophobicContact CD1-CG2 4.04Å; I476-I578 HydrophobicContact CD1-CG1 4.35Å; I476-V594 HydrophobicContact CG2-CG2 3.82Å; I476-L646 HydrophobicContact CG2-CB 4.05Å; I476-L646 PolarHBondContact N-O 3.4Å; I476-L646 PolarHBondContact O-N 2.89Å; I476-I648 HydrophobicContact CB-CD1 4.13Å; I476-I648 HydrophobicContact CB-CG1 4.2Å; I476-I648 HydrophobicContact CG2-CG1 4.14Å
477	K	92.5	Very high	75.7	Confident	62 Å²	62	49.2 Å²	49.2	27%	0.27	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	128.6	170.1	-169	-179.4	-179.1	-178.6	0	109	K510 E511 E643 G644 L645	K477-K510 HydrophobicContact CB-CB 4.42Å; K477-K510 HydrophobicContact CD-CD 4.35Å; K477-K510 HydrophobicContact CG-CB 4.44Å; K477-K510 HydrophobicContact CG-CD 4.43Å; K477-K510 WeakPolarHBondContact O-CB 3.36Å; K477-K510 PolarHBondContact O-N 3.32Å; K477-E511 HydrophobicContact CB-CG 3.62Å; K477-E511 HydrophobicContact CD-CG 4.36Å; K477-E511 PolarHBondContact N-O 2.9Å; K477-E511 PolarHBondContact O-N 3.27Å; K477-E643 WeakPolarHBondContact CE-OE2 3.18Å; K477-E643 IonicContact NZ-OE2 2.84Å; K477-E643 PolarHBondContact NZ-OE2 3.23Å; K477-G644 WeakPolarHBondContact CA-O 3.34Å; K477-L645 HydrophobicContact CB-CD1 4.08Å
478	L	95.1	Very high	77.6	Confident	0 Å²	0	41.4 Å²	41.4	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	167	177.4	62.4	85.8	0	0	0	111.4	L480 W508 I509 I576 L630 G644 L646	L478-L480 HydrophobicContact CD1-CD1 4.45Å; L478-L480 HydrophobicContact CD1-CD2 3.87Å; L478-L480 HydrophobicContact CD1-CG 3.74Å; L478-W508 CarbonylContact C-O 3.47Å; L478-W508 WeakPolarHBondContact CA-O 3.37Å; L478-W508 WeakPolarHBondContact CB-O 3.35Å; L478-I509 HydrophobicContact CB-CD1 4.14Å; L478-I509 HydrophobicContact CD2-CD1 4.39Å; L478-I576 HydrophobicContact CD2-CD1 3.29Å; L478-L630 HydrophobicContact CD1-CD1 4.38Å; L478-G644 PolarHBondContact N-O 2.87Å; L478-G644 PolarHBondContact O-N 3.31Å; L478-L646 HydrophobicContact CD2-CD1 4.04Å
479	A	94.3	Very high	79.3	Confident	1 Å²	1	42.4 Å²	42.4	1%	0.008	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	139.8	167.5	0	0	0	0	0	109.9	W508 W641 I642 E643	A479-W508 HydrophobicContact CB-CB 4.3Å; A479-W508 HydrophobicContact CB-CE3 4.49Å; A479-W508 PolarHBondContact N-O 3.14Å; A479-W508 PolarHBondContact O-N 2.9Å; A479-W641 HydrophobicContact CB-CE3 3.77Å; A479-W641 HydrophobicContact CB-CZ3 4.21Å; A479-I642 CarbonylContact C-O 3.56Å; A479-I642 VanDerWaalsContact CA-O 3.24Å; A479-I642 WeakPolarHBondContact CA-O 3.48Å; A479-E643 HydrophobicContact CB-CG 4.06Å
480	L	94.8	Very high	80.9	Confident	0 Å²	0	49.3 Å²	49.3	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	146.5	178.3	-61.5	-167.9	0	0	0	110.1	L478 D506 V507 M574 L630 W631 V634 I642	L478-L480 HydrophobicContact CD1-CD1 4.45Å; L478-L480 HydrophobicContact CD1-CD2 3.87Å; L478-L480 HydrophobicContact CD1-CG 3.74Å; L480-D506 WeakPolarHBondContact CA-O 3.46Å; L480-V507 HydrophobicContact CD2-CB 3.97Å; L480-V507 HydrophobicContact CD2-CG1 3.67Å; L480-V507 HydrophobicContact CD2-CG2 3.83Å; L480-M574 HydrophobicContact CD1-CE 3.7Å; L480-M574 HydrophobicContact CD2-CE 4.09Å; L480-L630 HydrophobicContact CB-CD2 4.44Å; L480-L630 HydrophobicContact CD1-CD2 3.26Å; L480-L630 HydrophobicContact CG-CD2 3.83Å; L480-W631 HydrophobicContact CD1-CE3 3.94Å; L480-W631 HydrophobicContact CD1-CZ3 3.84Å; L480-V634 HydrophobicContact CB-CG1 4.46Å; L480-V634 HydrophobicContact CB-CG2 3.45Å; L480-V634 VanDerWaalsContact CB-CG2 3.45Å; L480-V634 HydrophobicContact CD1-CG2 4.11Å; L480-V634 HydrophobicContact CG-CG2 4.36Å; L480-I642 PolarHBondContact N-O 2.78Å; L480-I642 PolarHBondContact O-N 3.14Å
481	R	94.1	Very high	82.4	Confident	70 Å²	70	47.4 Å²	47.4	26%	0.264	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	132.7	171.5	173.9	179.8	72.7	170.3	3.9	109.7	D506 G639 E640 W641	R481-D506 HydrophobicContact CB-CB 4.27Å; R481-D506 IonicContact CZ-OD2 2.66Å; R481-D506 VanDerWaalsContact CZ-OD2 3.28Å; R481-D506 PolarHBondContact N-O 3.41Å; R481-D506 IonicContact NE-OD2 3.41Å; R481-D506 PolarHBondContact NE-OD2 3.23Å; R481-D506 IonicContact NH2-OD2 2.85Å; R481-D506 PolarHBondContact NH2-OD2 2.84Å; R481-D506 WeakPolarHBondContact O-CB 3.26Å; R481-D506 PolarHBondContact O-N 3.09Å; R481-G639 VanDerWaalsContact CD-O 3.3Å; R481-G639 WeakPolarHBondContact CD-O 3.35Å; R481-E640 WeakPolarHBondContact CA-O 3.19Å; R481-E640 WeakPolarHBondContact CB-O 3.48Å; R481-E640 WeakPolarHBondContact CG-O 3.23Å; R481-W641 HydrophobicContact CB-CD2 3.69Å; R481-W641 HydrophobicContact CB-CE3 3.55Å; R481-W641 HydrophobicContact CB-CG 4.26Å; R481-W641 HydrophobicContact CB-CH2 4.24Å; R481-W641 HydrophobicContact CB-CZ2 4.34Å; R481-W641 HydrophobicContact CB-CZ3 3.84Å; R481-W641 HydrophobicContact CG-CD2 4.44Å
482	F	93.8	Very high	83.8	Confident	1 Å²	1	49.1 Å²	49.1	0%	0.004	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	99.4	167	-175.8	-121	0	0	0	109.6	I484 L501 L505 K564 L566 L569 V634 P638 G639	F482-I484 HydrophobicContact CD1-CG2 3.8Å; F482-I484 HydrophobicContact CE1-CG2 3.52Å; F482-I484 HydrophobicContact CZ-CG2 4.26Å; F482-L501 HydrophobicContact CE1-CB 4.07Å; F482-L501 WeakPolarHBondContact CZ-O 3.22Å; F482-L505 HydrophobicContact CD2-CB 4.46Å; F482-K564 HydrophobicContact CE2-CB 4.3Å; F482-K564 WeakPolarHBondContact CZ-O 3.32Å; F482-L566 HydrophobicContact CD1-CD1 3.99Å; F482-L566 HydrophobicContact CE1-CB 3.95Å; F482-L566 HydrophobicContact CE1-CD1 4.11Å; F482-L566 HydrophobicContact CZ-CB 4.45Å; F482-L569 HydrophobicContact CD1-CD1 4.5Å; F482-L569 HydrophobicContact CD2-CD1 3.24Å; F482-L569 HydrophobicContact CE2-CD1 3.35Å; F482-L569 HydrophobicContact CG-CD1 3.86Å; F482-L569 HydrophobicContact CZ-CD1 4.05Å; F482-V634 HydrophobicContact CB-CG1 4.2Å; F482-P638 HydrophobicContact CD1-CB 4.06Å; F482-P638 CarbonylContact O-C 3.6Å; F482-G639 WeakPolarHBondContact O-CA 3.21Å; F482-G639 PolarHBondContact O-N 3.18Å
483	A	92.5	Very high	84.6	Confident	26 Å²	26	53.1 Å²	53.1	22%	0.215	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	117.7	-177	0	0	0	0	0	110.9	G503 V504	A483-G503 CarbonylContact O-C 3.56Å; A483-G503 WeakPolarHBondContact O-CA 3.32Å; A483-V504 PolarHBondContact N-O 2.66Å; A483-V504 PolarHBondContact O-N 2.55Å
484	I	90.1	Very high	85.2	Confident	13 Å²	13	57.5 Å²	57.5	7%	0.067	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	158.6	174.6	56.9	167.2	0	0	0	110.4	F482 Q488 K489 L492 L501 P638	F482-I484 HydrophobicContact CD1-CG2 3.8Å; F482-I484 HydrophobicContact CE1-CG2 3.52Å; F482-I484 HydrophobicContact CZ-CG2 4.26Å; I484-Q488 HydrophobicContact CB-CB 4.34Å; I484-Q488 HydrophobicContact CD1-CB 4.32Å; I484-K489 HydrophobicContact CD1-CB 4.49Å; I484-K489 HydrophobicContact CD1-CG 3.63Å; I484-K489 HydrophobicContact CG1-CG 3.74Å; I484-K489 WeakPolarHBondContact O-CE 2.83Å; I484-L492 HydrophobicContact CD1-CD1 3.5Å; I484-L492 VanDerWaalsContact CD1-CD1 3.5Å; I484-L501 HydrophobicContact CD1-CD1 4.24Å; I484-L501 HydrophobicContact CG2-CB 3.99Å; I484-L501 HydrophobicContact CG2-CD1 4.34Å; I484-P638 HydrophobicContact CD1-CB 4.09Å; I484-P638 HydrophobicContact CD1-CG 4.36Å; I484-P638 HydrophobicContact CG1-CB 4.4Å; I484-P638 HydrophobicContact CG2-CB 4.33Å
485	S	87.5	Confident	84.8	Confident	56 Å²	56	58.2 Å²	58.2	39%	0.392	30%	0.304	S	S	.	.			trans	-64.9	152.7	178	67.1	0	0	0	0	112	Y487 Q488 K489	S485-Y487 PolarHBondContact O-N 3.05Å; S485-Q488 PolarHBondContact O-N 3.37Å; S485-Q488 VanDerWaalsContact O-N 3.09Å; S485-Q488 VanDerWaalsContact OG-CD 3.29Å; S485-Q488 VanDerWaalsContact OG-CG 3.29Å; S485-Q488 WeakPolarHBondContact OG-CG 3.24Å; S485-Q488 PolarHBondContact OG-N 2.95Å; S485-Q488 PolarHBondContact OG-OE1 3.11Å; S485-K489 PolarHBondContact O-N 3.23Å
486	D	84	Confident	83.6	Confident	109 Å²	109	65 Å²	65	58%	0.583	34%	0.341	S	S	*	.	H	α-helix	trans	-63.9	-25.5	177.5	-65	-30.1	0	0	0	112.6	K489 K490	D486-K489 IonicContact OD1-NZ 2.81Å; D486-K489 PolarHBondContact OD1-NZ 3.46Å; D486-K490 WeakPolarHBondContact O-CG 3.23Å; D486-K490 PolarHBondContact O-N 3.16Å; D486-K490 VanDerWaalsContact O-N 3.16Å
487	Y	83.7	Confident	82.3	Confident	182 Å²	182	72.5 Å²	72.5	71%	0.714	38%	0.376	S	S	*	.	H	α-helix	trans	-63.9	-50.9	170.4	178.1	-100.9	0	0	0	111.2	S485 K489 K490 V491	S485-Y487 PolarHBondContact O-N 3.05Å; Y487-K489 VanDerWaalsContact C-N 3.31Å; Y487-K489 PolarHBondContact O-N 3.33Å; Y487-K490 WeakPolarHBondContact O-CB 3.4Å; Y487-K490 PolarHBondContact O-N 2.85Å; Y487-K490 VanDerWaalsContact O-N 3.11Å; Y487-V491 HydrophobicContact CD1-CG2 4.14Å; Y487-V491 HydrophobicContact CE1-CG2 3.72Å; Y487-V491 HydrophobicContact CE2-CG2 4.2Å; Y487-V491 WeakPolarHBondContact O-CG2 3.47Å; Y487-V491 PolarHBondContact O-N 3.2Å
488	Q	84.4	Confident	81	Confident	28 Å²	28	74.9 Å²	74.9	13%	0.131	41%	0.407	C	S	.	.	H	α-helix	trans	-61.5	-38.3	177.2	-74.2	163	-44.2	0	0	112.4	I484 S485 K490 V491 L492 L501 I502	I484-Q488 HydrophobicContact CB-CB 4.34Å; I484-Q488 HydrophobicContact CD1-CB 4.32Å; S485-Q488 PolarHBondContact O-N 3.37Å; S485-Q488 VanDerWaalsContact O-N 3.09Å; S485-Q488 VanDerWaalsContact OG-CD 3.29Å; S485-Q488 VanDerWaalsContact OG-CG 3.29Å; S485-Q488 WeakPolarHBondContact OG-CG 3.24Å; S485-Q488 PolarHBondContact OG-N 2.95Å; S485-Q488 PolarHBondContact OG-OE1 3.11Å; Q488-K490 VanDerWaalsContact C-N 3.3Å; Q488-K490 PolarHBondContact O-N 3Å; Q488-V491 PolarHBondContact O-N 2.72Å; Q488-L492 WeakPolarHBondContact O-CG 3.42Å; Q488-L492 PolarHBondContact O-N 3.16Å; Q488-L501 HydrophobicContact CB-CD2 3.97Å; Q488-L501 HydrophobicContact CG-CD2 4.24Å; Q488-I502 VanDerWaalsContact NE2-CG2 3.29Å; Q488-I502 VanDerWaalsContact NE2-N 3.19Å; Q488-I502 PolarHBondContact NE2-O 3.25Å; Q488-I502 PolarHBondContact OE1-O 3.09Å; Q488-I502 VanDerWaalsContact OE1-O 3.06Å
489	K	80.2	Confident	79.9	Confident	91 Å²	91	78.4 Å²	78.4	40%	0.396	43%	0.425	S	S	.	.	H	α-helix	trans	-56.9	-44.1	173.1	-68.1	178.3	-166.2	157.6	0	111.8	I484 S485 D486 Y487 C493	I484-K489 HydrophobicContact CD1-CB 4.49Å; I484-K489 HydrophobicContact CD1-CG 3.63Å; I484-K489 HydrophobicContact CG1-CG 3.74Å; I484-K489 WeakPolarHBondContact O-CE 2.83Å; S485-K489 PolarHBondContact O-N 3.23Å; D486-K489 IonicContact OD1-NZ 2.81Å; D486-K489 PolarHBondContact OD1-NZ 3.46Å; Y487-K489 VanDerWaalsContact C-N 3.31Å; Y487-K489 PolarHBondContact O-N 3.33Å; K489-C493 PolarHBondContact O-N 2.79Å; K489-C493 PolarHBondContact O-SG 2.89Å; K489-C493 VanDerWaalsContact O-SG 3.35Å
490	K	78.8	Confident	79.4	Confident	153 Å²	153	81.7 Å²	81.7	67%	0.665	44%	0.443	S	S	*	.	H	α-helix	trans	-66.7	-40.7	177.4	-71.4	174.6	-178.2	-177.8	0	112	D486 Y487 Q488 C493	D486-K490 WeakPolarHBondContact O-CG 3.23Å; D486-K490 PolarHBondContact O-N 3.16Å; D486-K490 VanDerWaalsContact O-N 3.16Å; Y487-K490 WeakPolarHBondContact O-CB 3.4Å; Y487-K490 PolarHBondContact O-N 2.85Å; Y487-K490 VanDerWaalsContact O-N 3.11Å; Q488-K490 VanDerWaalsContact C-N 3.3Å; Q488-K490 PolarHBondContact O-N 3Å; K490-C493 PolarHBondContact O-N 3.41Å
491	V	78	Confident	79	Confident	37 Å²	37	82 Å²	82	22%	0.224	44%	0.444	C	S	.	.	H	α-helix	trans	-64.4	-40.3	178.9	175.6	0	0	0	0	111.3	Y487 Q488 C493 V494 A495 I499	Y487-V491 HydrophobicContact CD1-CG2 4.14Å; Y487-V491 HydrophobicContact CE1-CG2 3.72Å; Y487-V491 HydrophobicContact CE2-CG2 4.2Å; Y487-V491 WeakPolarHBondContact O-CG2 3.47Å; Y487-V491 PolarHBondContact O-N 3.2Å; Q488-V491 PolarHBondContact O-N 2.72Å; V491-C493 PolarHBondContact O-N 2.89Å; V491-V494 PolarHBondContact O-N 3.08Å; V491-A495 HydrophobicContact CG1-CB 4.21Å; V491-A495 PolarHBondContact O-N 3.34Å; V491-I499 HydrophobicContact CG1-CD1 3.37Å
492	L	72.9	Confident	78.8	Confident	75 Å²	75	81.7 Å²	81.7	39%	0.393	45%	0.447	S	S	.	.	H	α-helix	trans	-60	-26.6	174.9	-74	166.1	0	0	0	113.7	I484 Q488 V494 L501 P638	I484-L492 HydrophobicContact CD1-CD1 3.5Å; I484-L492 VanDerWaalsContact CD1-CD1 3.5Å; Q488-L492 WeakPolarHBondContact O-CG 3.42Å; Q488-L492 PolarHBondContact O-N 3.16Å; L492-V494 VanDerWaalsContact C-N 3.3Å; L492-L501 HydrophobicContact CD1-CD1 3.6Å; L492-L501 HydrophobicContact CD1-CD2 3.88Å; L492-L501 HydrophobicContact CD1-CG 4.38Å; L492-L501 HydrophobicContact CD2-CD1 4.02Å; L492-L501 HydrophobicContact CD2-CD2 4.05Å; L492-L501 HydrophobicContact CD2-CG 4.39Å; L492-L501 HydrophobicContact CG-CD1 4.29Å; L492-L501 HydrophobicContact CG-CD2 3.98Å; L492-P638 HydrophobicContact CD1-CG 4.42Å
493	C	68.9	Low	78.7	Confident	116 Å²	116	82.1 Å²	82.1	78%	0.784	45%	0.452	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.5	-11.7	176.6	-62.1	0	0	0	0	113.6	K489 K490 V491	K489-C493 PolarHBondContact O-N 2.79Å; K489-C493 PolarHBondContact O-SG 2.89Å; K489-C493 VanDerWaalsContact O-SG 3.35Å; K490-C493 PolarHBondContact O-N 3.41Å; V491-C493 PolarHBondContact O-N 2.89Å
494	V	71.7	Confident	78.8	Confident	132 Å²	132	82.7 Å²	82.7	80%	0.8	45%	0.453	S	S	*	.	T	Hydrogen-bonded Turn	trans	-120.1	-34.3	-170.8	-178.7	0	0	0	0	112.2	V491 L492	V491-V494 PolarHBondContact O-N 3.08Å; L492-V494 VanDerWaalsContact C-N 3.3Å
495	A	65	Low	79.1	Confident	39 Å²	39	82.1 Å²	82.1	32%	0.322	45%	0.45	S	S	.	.			trans	-93.8	128.2	-177.6	0	0	0	0	0	111.4	V491 I499	V491-A495 HydrophobicContact CG1-CB 4.21Å; V491-A495 PolarHBondContact O-N 3.34Å; A495-I499 HydrophobicContact CB-CD1 3.86Å
496	D	62.3	Low	79.4	Confident	174 Å²	174	79.5 Å²	79.5	93%	0.93	43%	0.431	S	S	*	.			trans	-86.4	3.6	168.7	-156.2	21.7	0	0	0	111.6
497	E	63	Low	80	Confident	158 Å²	158	74.3 Å²	74.3	74%	0.738	40%	0.404	S	S	*	.	S	Bend	trans	-86.3	141.9	179.3	-64	-172.3	170.3	0	0	111.2	I499	E497-I499 VanDerWaalsContact C-N 3.34Å; E497-I499 PolarHBondContact O-N 3.27Å
498	A	65.3	Low	80.6	Confident	111 Å²	111	69.4 Å²	69.4	92%	0.917	38%	0.384	S	S	*	.			trans	-69.7	87.2	176	0	0	0	0	0	110.7
499	I	73.2	Confident	81.2	Confident	75 Å²	75	68 Å²	68	39%	0.385	38%	0.378	S	S	.	.	P	Polyproline II helix	trans	-89	122.6	175.2	-61.4	166.7	0	0	0	108.8	V491 A495 E497 L501	V491-I499 HydrophobicContact CG1-CD1 3.37Å; A495-I499 HydrophobicContact CB-CD1 3.86Å; E497-I499 VanDerWaalsContact C-N 3.34Å; E497-I499 PolarHBondContact O-N 3.27Å; I499-L501 PolarHBondContact O-N 3.07Å
500	D	82.6	Confident	81.9	Confident	70 Å²	70	65.1 Å²	65.1	37%	0.374	37%	0.365	S	S	.	.	P	Polyproline II helix	trans	-73.8	120.3	172.6	-165.7	11.4	0	0	0	110.5	Y565 L566 S567	D500-Y565 WeakPolarHBondContact OD2-CB 3.43Å; D500-L566 PolarHBondContact OD1-N 2.85Å; D500-S567 VanDerWaalsContact CG-OG 3.29Å; D500-S567 PolarHBondContact OD1-N 2.82Å; D500-S567 PolarHBondContact OD1-OG 2.98Å; D500-S567 VanDerWaalsContact OD2-CB 3.3Å; D500-S567 WeakPolarHBondContact OD2-CB 3.4Å; D500-S567 PolarHBondContact OD2-OG 3.46Å
501	L	86	Confident	82.6	Confident	5 Å²	5	60.1 Å²	60.1	3%	0.026	34%	0.344	C	S	.	.	P	Polyproline II helix	trans	-89.1	122.9	-172.4	-61.5	168.5	0	0	0	109.7	F482 I484 Q488 L492 I499 Y565 L566 P638	F482-L501 HydrophobicContact CE1-CB 4.07Å; F482-L501 WeakPolarHBondContact CZ-O 3.22Å; I484-L501 HydrophobicContact CD1-CD1 4.24Å; I484-L501 HydrophobicContact CG2-CB 3.99Å; I484-L501 HydrophobicContact CG2-CD1 4.34Å; Q488-L501 HydrophobicContact CB-CD2 3.97Å; Q488-L501 HydrophobicContact CG-CD2 4.24Å; L492-L501 HydrophobicContact CD1-CD1 3.6Å; L492-L501 HydrophobicContact CD1-CD2 3.88Å; L492-L501 HydrophobicContact CD1-CG 4.38Å; L492-L501 HydrophobicContact CD2-CD1 4.02Å; L492-L501 HydrophobicContact CD2-CD2 4.05Å; L492-L501 HydrophobicContact CD2-CG 4.39Å; L492-L501 HydrophobicContact CG-CD1 4.29Å; L492-L501 HydrophobicContact CG-CD2 3.98Å; I499-L501 PolarHBondContact O-N 3.07Å; L501-Y565 CarbonylContact O-C 3.44Å; L501-Y565 WeakPolarHBondContact O-CA 3.41Å; L501-L566 HydrophobicContact CB-CB 4.13Å; L501-L566 HydrophobicContact CD1-CD2 3.92Å; L501-L566 PolarHBondContact O-N 3.3Å; L501-P638 HydrophobicContact CD1-CB 4.3Å; L501-P638 HydrophobicContact CD1-CG 4.04Å
502	I	91.7	Very high	83.2	Confident	64 Å²	64	58.4 Å²	58.4	33%	0.328	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	135.2	167.3	-171.7	170	0	0	0	110.5	Q488 N563 K564 Y565	Q488-I502 VanDerWaalsContact NE2-CG2 3.29Å; Q488-I502 VanDerWaalsContact NE2-N 3.19Å; Q488-I502 PolarHBondContact NE2-O 3.25Å; Q488-I502 PolarHBondContact OE1-O 3.09Å; Q488-I502 VanDerWaalsContact OE1-O 3.06Å; I502-N563 HydrophobicContact CD1-CB 4.49Å; I502-K564 WeakPolarHBondContact CA-O 3.32Å; I502-Y565 HydrophobicContact CB-CD1 4.16Å; I502-Y565 HydrophobicContact CB-CE1 3.99Å; I502-Y565 HydrophobicContact CD1-CE1 4.31Å; I502-Y565 HydrophobicContact CD1-CE2 4.19Å; I502-Y565 HydrophobicContact CG1-CE1 4.43Å
503	G	91.8	Very high	83.9	Confident	10 Å²	10	58 Å²	58	10%	0.103	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-162	-163.4	-177.3	0	0	0	0	0	114.4	A483 N563 K564	A483-G503 CarbonylContact O-C 3.56Å; A483-G503 WeakPolarHBondContact O-CA 3.32Å; G503-N563 PolarHBondContact O-N 2.99Å; G503-N563 VanDerWaalsContact O-N 3.12Å; G503-K564 PolarHBondContact N-O 2.82Å; G503-K564 PolarHBondContact O-N 2.85Å; G503-K564 VanDerWaalsContact O-N 3.08Å
504	V	94.2	Very high	84.3	Confident	38 Å²	38	55 Å²	55	23%	0.23	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	123.9	176.3	-177.1	0	0	0	0	108.7	A483 D506 Q560 F561	A483-V504 PolarHBondContact N-O 2.66Å; A483-V504 PolarHBondContact O-N 2.55Å; V504-D506 PolarHBondContact O-N 3.11Å; V504-Q560 HydrophobicContact CG1-CB 3.93Å; V504-Q560 HydrophobicContact CG1-CG 4.42Å; V504-F561 WeakPolarHBondContact CA-O 3.19Å
505	L	95.1	Very high	84.9	Confident	1 Å²	1	48.9 Å²	48.9	1%	0.005	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	109.5	168.5	177.5	69.6	0	0	0	108.9	F482 V507 L532 F561 L569 W631 V634	F482-L505 HydrophobicContact CD2-CB 4.46Å; L505-V507 HydrophobicContact CD2-CG2 4.3Å; L505-V507 HydrophobicContact CG-CG2 4.14Å; L505-L532 HydrophobicContact CD2-CD1 4.23Å; L505-L532 HydrophobicContact CD2-CD2 4.18Å; L505-F561 HydrophobicContact CB-CB 4.24Å; L505-F561 HydrophobicContact CD2-CD2 4.43Å; L505-F561 PolarHBondContact N-O 2.73Å; L505-F561 PolarHBondContact O-N 3.49Å; L505-L569 HydrophobicContact CB-CD1 4.43Å; L505-L569 HydrophobicContact CD2-CD2 4Å; L505-W631 HydrophobicContact CD2-CH2 3.93Å; L505-V634 HydrophobicContact CD1-CG1 4.2Å
506	D	95.6	Very high	85.4	Confident	2 Å²	2	48.6 Å²	48.6	1%	0.011	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	125	173.2	-72.3	-36	0	0	0	110.2	L480 R481 V504 L558 Q560 W641	L480-D506 WeakPolarHBondContact CA-O 3.46Å; R481-D506 HydrophobicContact CB-CB 4.27Å; R481-D506 IonicContact CZ-OD2 2.66Å; R481-D506 VanDerWaalsContact CZ-OD2 3.28Å; R481-D506 PolarHBondContact N-O 3.41Å; R481-D506 IonicContact NE-OD2 3.41Å; R481-D506 PolarHBondContact NE-OD2 3.23Å; R481-D506 IonicContact NH2-OD2 2.85Å; R481-D506 PolarHBondContact NH2-OD2 2.84Å; R481-D506 WeakPolarHBondContact O-CB 3.26Å; R481-D506 PolarHBondContact O-N 3.09Å; V504-D506 PolarHBondContact O-N 3.11Å; D506-L558 HydrophobicContact CB-CD1 4.05Å; D506-Q560 WeakPolarHBondContact OD1-CG 2.92Å; D506-Q560 PolarHBondContact OD1-NE2 3.2Å; D506-W641 HydrophobicContact CB-CH2 3.65Å; D506-W641 HydrophobicContact CB-CZ2 4.4Å; D506-W641 HydrophobicContact CB-CZ3 4.1Å
507	V	96.2	Very high	86	Confident	0 Å²	0	40.3 Å²	40.3	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	103.1	177.5	-176.4	0	0	0	0	108.9	L480 L505 I509 V530 L559 F561 M574	L480-V507 HydrophobicContact CD2-CB 3.97Å; L480-V507 HydrophobicContact CD2-CG1 3.67Å; L480-V507 HydrophobicContact CD2-CG2 3.83Å; L505-V507 HydrophobicContact CD2-CG2 4.3Å; L505-V507 HydrophobicContact CG-CG2 4.14Å; V507-I509 HydrophobicContact CG1-CD1 3.82Å; V507-I509 HydrophobicContact CG1-CG1 4.35Å; V507-V530 HydrophobicContact CG1-CG1 4.41Å; V507-V530 HydrophobicContact CG1-CG2 4.12Å; V507-L559 HydrophobicContact CB-CB 4.31Å; V507-L559 PolarHBondContact N-O 3.15Å; V507-L559 PolarHBondContact O-N 3.39Å; V507-F561 HydrophobicContact CG2-CD2 4.06Å; V507-F561 HydrophobicContact CG2-CE2 3.92Å; V507-M574 HydrophobicContact CG1-SD 4.45Å; V507-M574 HydrophobicContact CG2-SD 4Å
508	W	96.6	Very high	86.2	Confident	78 Å²	78	37.5 Å²	37.5	30%	0.295	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	103.6	178.9	-172.1	3.6	0	0	0	110.9	L478 A479 K510 N556 L558 W641	L478-W508 CarbonylContact C-O 3.47Å; L478-W508 WeakPolarHBondContact CA-O 3.37Å; L478-W508 WeakPolarHBondContact CB-O 3.35Å; A479-W508 HydrophobicContact CB-CB 4.3Å; A479-W508 HydrophobicContact CB-CE3 4.49Å; A479-W508 PolarHBondContact N-O 3.14Å; A479-W508 PolarHBondContact O-N 2.9Å; W508-K510 HydrophobicContact CD2-CG 4.27Å; W508-K510 HydrophobicContact CG-CG 4.18Å; W508-K510 PolarHBondContact O-N 3.01Å; W508-N556 WeakPolarHBondContact CZ2-OD1 3.35Å; W508-N556 PolarHBondContact NE1-OD1 3.13Å; W508-L558 HydrophobicContact CB-CD1 4.08Å; W508-W641 HydrophobicContact CB-CH2 4.16Å; W508-W641 HydrophobicContact CB-CZ3 3.87Å; W508-W641 HydrophobicContact CE3-CH2 4.39Å; W508-W641 HydrophobicContact CE3-CZ3 4.4Å
509	I	96.3	Very high	86.3	Confident	0 Å²	0	39.4 Å²	39.4	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	110.2	174.9	-55.7	-57.6	0	0	0	108.9	I476 L478 V507 V528 V530 T544 W555 N556 S557 L559	I476-I509 HydrophobicContact CD1-CG2 4.22Å; L478-I509 HydrophobicContact CB-CD1 4.14Å; L478-I509 HydrophobicContact CD2-CD1 4.39Å; V507-I509 HydrophobicContact CG1-CD1 3.82Å; V507-I509 HydrophobicContact CG1-CG1 4.35Å; I509-V528 HydrophobicContact CD1-CG1 4.35Å; I509-V528 HydrophobicContact CG1-CG1 4.38Å; I509-V528 HydrophobicContact CG2-CB 4.23Å; I509-V528 HydrophobicContact CG2-CG1 4.38Å; I509-V528 HydrophobicContact CG2-CG2 4.04Å; I509-V530 HydrophobicContact CD1-CG2 4.04Å; I509-V530 HydrophobicContact CG1-CG2 4.34Å; I509-T544 HydrophobicContact CB-CG2 3.97Å; I509-T544 HydrophobicContact CG1-CG2 4.04Å; I509-T544 HydrophobicContact CG2-CG2 4.14Å; I509-W555 HydrophobicContact CG2-CB 4.18Å; I509-W555 HydrophobicContact CG2-CD2 4.14Å; I509-W555 HydrophobicContact CG2-CE3 3.63Å; I509-W555 HydrophobicContact CG2-CG 4.39Å; I509-W555 HydrophobicContact CG2-CZ3 4.28Å; I509-N556 CarbonylContact O-C 3.57Å; I509-N556 WeakPolarHBondContact O-CA 3.49Å; I509-N556 PolarHBondContact O-N 3.29Å; I509-N556 VanDerWaalsContact O-N 3.09Å; I509-S557 PolarHBondContact N-O 3.14Å; I509-S557 PolarHBondContact O-N 3.21Å; I509-L559 HydrophobicContact CG1-CD1 4.18Å
510	K	94.3	Very high	86.1	Confident	30 Å²	30	37.5 Å²	37.5	13%	0.13	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	-66.6	-172.3	-60.9	-171.4	178.6	-163.2	0	111.9	K477 W508 W555 N556 E643	K477-K510 HydrophobicContact CB-CB 4.42Å; K477-K510 HydrophobicContact CD-CD 4.35Å; K477-K510 HydrophobicContact CG-CB 4.44Å; K477-K510 HydrophobicContact CG-CD 4.43Å; K477-K510 WeakPolarHBondContact O-CB 3.36Å; K477-K510 PolarHBondContact O-N 3.32Å; W508-K510 HydrophobicContact CD2-CG 4.27Å; W508-K510 HydrophobicContact CG-CG 4.18Å; W508-K510 PolarHBondContact O-N 3.01Å; K510-W555 PolarHBondContact O-N 3.11Å; K510-N556 PolarHBondContact O-N 3.24Å; K510-E643 IonicContact NZ-OE1 3.28Å; K510-E643 PolarHBondContact NZ-OE1 3.35Å
511	E	93.6	Very high	85.4	Confident	47 Å²	47	35.3 Å²	35.3	22%	0.22	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.6	152.4	-171.7	59.9	177.1	-166.4	0	0	112.5	K477 K513 P553 L554 W555	K477-E511 HydrophobicContact CB-CG 3.62Å; K477-E511 HydrophobicContact CD-CG 4.36Å; K477-E511 PolarHBondContact N-O 2.9Å; K477-E511 PolarHBondContact O-N 3.27Å; E511-K513 WeakPolarHBondContact OE1-CE 3.47Å; E511-K513 IonicContact OE1-NZ 3.62Å; E511-K513 PolarHBondContact OE1-NZ 2.98Å; E511-P553 CarbonylContact C-O 3.56Å; E511-P553 VanDerWaalsContact CA-O 3.27Å; E511-P553 WeakPolarHBondContact CA-O 3.13Å; E511-L554 HydrophobicContact CB-CD2 3.47Å; E511-L554 VanDerWaalsContact CB-CD2 3.47Å; E511-L554 HydrophobicContact CG-CD2 4.47Å; E511-L554 WeakPolarHBondContact OE2-CD2 3.34Å; E511-W555 VanDerWaalsContact C-CZ3 3.5Å
512	G	91.3	Very high	84.8	Confident	1 Å²	1	39 Å²	39	1%	0.01	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	149.3	166.1	0	0	0	0	0	110	Q475 Q552 P553	Q475-G512 CarbonylContact O-C 3.47Å; Q475-G512 WeakPolarHBondContact O-CA 3.46Å; G512-Q552 CarbonylContact O-C 3.57Å; G512-Q552 VanDerWaalsContact O-CA 3.24Å; G512-Q552 WeakPolarHBondContact O-CA 3.44Å; G512-P553 PolarHBondContact N-O 3.18Å
513	K	86.8	Confident	84	Confident	67 Å²	67	40.1 Å²	40.1	29%	0.291	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	138.4	174.4	-66.7	-178.6	178.3	161.7	0	110	S474 Q475 E511 L515	S474-K513 CarbonylContact C-O 3.55Å; S474-K513 WeakPolarHBondContact CA-O 3.4Å; Q475-K513 HydrophobicContact CB-CB 4.31Å; Q475-K513 PolarHBondContact N-O 2.75Å; Q475-K513 PolarHBondContact O-N 3.45Å; E511-K513 WeakPolarHBondContact OE1-CE 3.47Å; E511-K513 IonicContact OE1-NZ 3.62Å; E511-K513 PolarHBondContact OE1-NZ 2.98Å; K513-L515 PolarHBondContact O-N 3.26Å
514	N	77.4	Confident	83.7	Confident	53 Å²	53	39.7 Å²	39.7	28%	0.283	20%	0.204	S	C	.	.	S	Bend	trans	52.3	41.4	175.5	-52.6	-33.9	0	0	0	112.6	A471 S474 D551	A471-N514 PolarHBondContact O-ND2 2.85Å; S474-N514 WeakPolarHBondContact CB-O 3.29Å; S474-N514 PolarHBondContact OG-O 2.68Å; N514-D551 PolarHBondContact N-O 2.83Å
515	L	84	Confident	83.5	Confident	3 Å²	3	39.2 Å²	39.2	2%	0.016	20%	0.2	C	C	.	.			trans	-69.2	138.5	174.1	-58	-171.1	0	0	0	109.7	K513 I524 D551 P553 W555 I578 L591 I648	K513-L515 PolarHBondContact O-N 3.26Å; L515-I524 HydrophobicContact CB-CD1 4.08Å; L515-I524 WeakPolarHBondContact O-CD1 3.31Å; L515-D551 PolarHBondContact N-O 3Å; L515-D551 WeakPolarHBondContact O-CB 3.31Å; L515-P553 HydrophobicContact CD1-CG 3.45Å; L515-P553 VanDerWaalsContact CD1-CG 3.45Å; L515-P553 HydrophobicContact CG-CG 4.35Å; L515-W555 HydrophobicContact CD1-CH2 3.79Å; L515-W555 HydrophobicContact CD1-CZ2 3.95Å; L515-I578 HydrophobicContact CD1-CG2 3.97Å; L515-I578 HydrophobicContact CD2-CG2 4.4Å; L515-L591 HydrophobicContact CB-CD1 4.37Å; L515-L591 HydrophobicContact CD1-CD1 4.39Å; L515-I648 HydrophobicContact CD2-CD1 3.43Å; L515-I648 VanDerWaalsContact CD2-CD1 3.43Å
516	H	75.6	Confident	83.3	Confident	33 Å²	33	39.2 Å²	39.2	15%	0.153	20%	0.2	C	C	.	.			trans	-138	134	-179.4	-175.7	78.5	0	0	0	111	P376 N378 I524	P376-H516 HydrophobicContact CB-CB 4.38Å; P376-H516 PolarHBondContact O-CD2 2.82Å; P376-H516 VanDerWaalsContact O-CD2 3.27Å; P376-H516 PolarHBondContact O-CE1 3.48Å; P376-H516 VanDerWaalsContact O-CE1 3.32Å; P376-H516 PolarHBondContact O-NE2 3.31Å; N378-H516 PolarHBondContact ND2-CD2 3.32Å; N378-H516 PolarHBondContact ND2-NE2 2.84Å; N378-H516 VanDerWaalsContact ND2-NE2 3.14Å; H516-I524 VanDerWaalsContact C-CD1 3.5Å
517	S	75.9	Confident	83.3	Confident	0 Å²	0	40.9 Å²	40.9	0%	0	21%	0.206	C	C	.	.	B	Isolated β-bridge	trans	-105.8	135.2	172.2	159.7	0	0	0	0	109.4	K519 A520 G521 I524 N580 E589	S517-K519 PolarHBondContact O-N 2.79Å; S517-K519 PolarHBondContact OG-N 3.37Å; S517-K519 VanDerWaalsContact OG-N 3.09Å; S517-A520 PolarHBondContact OG-N 3.11Å; S517-G521 PolarHBondContact N-O 3Å; S517-G521 VanDerWaalsContact O-CA 3.31Å; S517-G521 WeakPolarHBondContact O-CA 3.47Å; S517-G521 PolarHBondContact O-N 3.06Å; S517-I524 VanDerWaalsContact N-CD1 3.28Å; S517-N580 PolarHBondContact OG-ND2 2.93Å; S517-E589 PolarHBondContact OG-OE1 3.24Å; S517-E589 VanDerWaalsContact OG-OE1 3.11Å; S517-E589 PolarHBondContact OG-OE2 2.83Å
518	H	67.1	Low	83.3	Confident	100 Å²	100	40.9 Å²	40.9	46%	0.463	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-21.1	175.7	80.7	-81.7	0	0	0	112.7	E589	H518-E589 IonicContact CE1-OE1 2.94Å; H518-E589 PolarHBondContact CE1-OE1 3Å; H518-E589 IonicContact CG-OE1 2.64Å; H518-E589 PolarHBondContact N-OE1 3.11Å; H518-E589 VanDerWaalsContact N-OE1 3.09Å; H518-E589 IonicContact ND1-OE1 2.68Å; H518-E589 PolarHBondContact ND1-OE1 3.12Å
519	K	68	Low	83.3	Confident	151 Å²	151	38 Å²	38	66%	0.657	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	-95.9	-43.9	-179.1	-63.1	-179.5	177	170.8	0	112.5	S517	S517-K519 PolarHBondContact O-N 2.79Å; S517-K519 PolarHBondContact OG-N 3.37Å; S517-K519 VanDerWaalsContact OG-N 3.09Å
520	A	69	Low	83.2	Confident	34 Å²	34	38 Å²	38	28%	0.281	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103.4	-6.6	-170.9	0	0	0	0	0	113.6	S517 T522 D523	S517-A520 PolarHBondContact OG-N 3.11Å; A520-T522 PolarHBondContact O-N 3.01Å; A520-D523 WeakPolarHBondContact CB-O 3.19Å; A520-D523 PolarHBondContact O-N 3.01Å
521	G	67.9	Low	83.2	Confident	25 Å²	25	38.6 Å²	38.6	26%	0.258	20%	0.201	S	C	.	.	B	Isolated β-bridge	trans	68.4	-124.3	-176.5	0	0	0	0	0	111	S517 I524	S517-G521 PolarHBondContact N-O 3Å; S517-G521 VanDerWaalsContact O-CA 3.31Å; S517-G521 WeakPolarHBondContact O-CA 3.47Å; S517-G521 PolarHBondContact O-N 3.06Å; G521-I524 WeakPolarHBondContact O-CD1 3.36Å; G521-I524 VanDerWaalsContact O-CG1 3.31Å; G521-I524 WeakPolarHBondContact O-CG1 3.31Å
522	T	72.6	Confident	83.3	Confident	81 Å²	81	36.5 Å²	36.5	50%	0.497	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.7	-9.8	176.8	52.6	0	0	0	0	113.5	A520 I524 D551	A520-T522 PolarHBondContact O-N 3.01Å; T522-I524 VanDerWaalsContact C-N 3.26Å; T522-I524 PolarHBondContact O-N 2.82Å; T522-D551 HydrophobicContact CG2-CB 4.22Å; T522-D551 PolarHBondContact O-N 2.66Å
523	D	75.8	Confident	83.3	Confident	89 Å²	89	37.3 Å²	37.3	48%	0.476	20%	0.196	S	C	.	.			trans	-85.3	68.9	178.6	-168	17.1	0	0	0	110.7	A520 R549	A520-D523 WeakPolarHBondContact CB-O 3.19Å; A520-D523 PolarHBondContact O-N 3.01Å; D523-R549 WeakPolarHBondContact OD1-CA 3.25Å; D523-R549 WeakPolarHBondContact OD1-CB 3.38Å; D523-R549 WeakPolarHBondContact OD1-CG 3.26Å
524	I	83.6	Confident	83.4	Confident	0 Å²	0	35.3 Å²	35.3	0%	0	19%	0.188	C	C	.	.			trans	-104.7	136.5	-168.2	-55.7	177.7	0	0	0	110.3	L515 H516 S517 G521 T522 R549 S550 N580 L591	L515-I524 HydrophobicContact CB-CD1 4.08Å; L515-I524 WeakPolarHBondContact O-CD1 3.31Å; H516-I524 VanDerWaalsContact C-CD1 3.5Å; S517-I524 VanDerWaalsContact N-CD1 3.28Å; G521-I524 WeakPolarHBondContact O-CD1 3.36Å; G521-I524 VanDerWaalsContact O-CG1 3.31Å; G521-I524 WeakPolarHBondContact O-CG1 3.31Å; T522-I524 VanDerWaalsContact C-N 3.26Å; T522-I524 PolarHBondContact O-N 2.82Å; I524-R549 WeakPolarHBondContact O-CA 3.27Å; I524-R549 PolarHBondContact O-N 2.89Å; I524-S550 PolarHBondContact O-N 3.36Å; I524-N580 HydrophobicContact CG2-CB 3.59Å; I524-N580 VanDerWaalsContact CG2-CG 3.42Å; I524-N580 VanDerWaalsContact CG2-OD1 3.31Å; I524-N580 WeakPolarHBondContact CG2-OD1 3.39Å; I524-L591 HydrophobicContact CD1-CD1 4.12Å; I524-L591 HydrophobicContact CG2-CD1 3.61Å
525	N	90.4	Very high	83.8	Confident	29 Å²	29	35.3 Å²	35.3	16%	0.155	19%	0.191	C	C	.	.			trans	-102.4	85.3	172	-57.8	-37	0	0	0	109.6	Q546 I547 L548 R549 N580 R581	N525-Q546 HydrophobicContact CB-CG 4.42Å; N525-Q546 PolarHBondContact O-NE2 2.85Å; N525-I547 CarbonylContact C-O 3.56Å; N525-I547 VanDerWaalsContact CA-O 3.31Å; N525-I547 WeakPolarHBondContact CA-O 3.26Å; N525-L548 HydrophobicContact CB-CD2 3.71Å; N525-L548 WeakPolarHBondContact OD1-CA 3.17Å; N525-R549 PolarHBondContact OD1-N 2.77Å; N525-N580 PolarHBondContact N-OD1 2.98Å; N525-N580 WeakPolarHBondContact O-CA 3.29Å; N525-N580 PolarHBondContact O-OD1 3.05Å; N525-R581 WeakPolarHBondContact CB-O 3.22Å; N525-R581 PolarHBondContact ND2-O 2.87Å; N525-R581 PolarHBondContact O-N 2.75Å
526	S	92.5	Very high	83.9	Confident	0 Å²	0	41.4 Å²	41.4	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	142.8	-164.8	62.9	0	0	0	0	114.7	Q546 I547 P553 W555 W579	S526-Q546 WeakPolarHBondContact O-CA 3.49Å; S526-I547 PolarHBondContact N-O 2.85Å; S526-I547 PolarHBondContact O-N 2.92Å; S526-P553 WeakPolarHBondContact OG-CB 3.21Å; S526-P553 WeakPolarHBondContact OG-CG 3.27Å; S526-W555 PolarHBondContact O-NE1 2.83Å; S526-W555 VanDerWaalsContact O-NE1 3.11Å; S526-W579 WeakPolarHBondContact CA-O 3.48Å; S526-W579 WeakPolarHBondContact CB-O 3.24Å
527	Y	94.7	Very high	84.2	Confident	37 Å²	37	47.4 Å²	47.4	15%	0.145	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	157.5	169.4	67.6	-83.8	0	0	0	109.4	Q546 W579 R581 P588	Y527-Q546 HydrophobicContact CD1-CG 4.48Å; Y527-W579 HydrophobicContact CD1-CB 3.85Å; Y527-W579 HydrophobicContact CD2-CB 4.19Å; Y527-W579 HydrophobicContact CD2-CG 4.43Å; Y527-W579 HydrophobicContact CE1-CB 3.35Å; Y527-W579 HydrophobicContact CE1-CG 4.16Å; Y527-W579 HydrophobicContact CE2-CB 3.73Å; Y527-W579 AromaticContact CE2-CD1 3.48Å; Y527-W579 VanDerWaalsContact CE2-CD1 3.48Å; Y527-W579 AromaticContact CE2-CG 3.72Å; Y527-W579 HydrophobicContact CE2-CG 3.72Å; Y527-W579 HydrophobicContact CG-CB 4.24Å; Y527-W579 AromaticContact CZ-CD1 3.84Å; Y527-W579 AromaticContact CZ-CG 3.57Å; Y527-W579 PolarHBondContact N-O 3.21Å; Y527-W579 VanDerWaalsContact N-O 3.08Å; Y527-W579 PolarHBondContact O-N 2.91Å; Y527-R581 HydrophobicContact CE1-CB 4.04Å; Y527-P588 HydrophobicContact CE1-CB 4.32Å; Y527-P588 WeakPolarHBondContact OH-CB 3.42Å; Y527-P588 WeakPolarHBondContact OH-CG 3.34Å
528	V	95.9	Very high	84.7	Confident	0 Å²	0	53.6 Å²	53.6	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	134.9	-177.9	-179.5	0	0	0	0	109.4	I476 I509 V530 S543 T544 W555 I576 F577 I578	I476-V528 HydrophobicContact CD1-CG1 4.27Å; I476-V528 HydrophobicContact CD1-CG2 4.2Å; I509-V528 HydrophobicContact CD1-CG1 4.35Å; I509-V528 HydrophobicContact CG1-CG1 4.38Å; I509-V528 HydrophobicContact CG2-CB 4.23Å; I509-V528 HydrophobicContact CG2-CG1 4.38Å; I509-V528 HydrophobicContact CG2-CG2 4.04Å; V528-V530 HydrophobicContact CG1-CG2 4.37Å; V528-S543 CarbonylContact O-C 3.59Å; V528-S543 WeakPolarHBondContact O-CA 3.48Å; V528-T544 HydrophobicContact CB-CG2 3.96Å; V528-T544 PolarHBondContact N-OG1 3.47Å; V528-T544 PolarHBondContact O-N 3.14Å; V528-W555 HydrophobicContact CG2-CD2 3.82Å; V528-W555 HydrophobicContact CG2-CE3 3.93Å; V528-W555 HydrophobicContact CG2-CH2 3.51Å; V528-W555 HydrophobicContact CG2-CZ2 3.44Å; V528-W555 VanDerWaalsContact CG2-CZ2 3.44Å; V528-W555 HydrophobicContact CG2-CZ3 3.77Å; V528-I576 HydrophobicContact CG1-CG2 3.32Å; V528-F577 CarbonylContact C-O 3.57Å; V528-F577 WeakPolarHBondContact CA-O 3.14Å; V528-I578 HydrophobicContact CG2-CG1 4.29Å
529	T	95.9	Very high	85.7	Confident	19 Å²	19	52.6 Å²	52.6	12%	0.117	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	126.4	169.6	-59.8	0	0	0	0	108.9	C541 R542 S543 I576 F577	T529-C541 HydrophobicContact CG2-CB 4.34Å; T529-R542 CarbonylContact C-O 3.5Å; T529-R542 WeakPolarHBondContact CA-O 3.1Å; T529-S543 PolarHBondContact OG1-OG 3.18Å; T529-I576 CarbonylContact O-C 3.57Å; T529-I576 WeakPolarHBondContact O-CA 3.5Å; T529-F577 PolarHBondContact N-O 2.92Å; T529-F577 PolarHBondContact O-N 2.8Å
530	V	95.9	Very high	86.9	Confident	0 Å²	0	47.6 Å²	47.6	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	122.6	173.6	-178.1	0	0	0	0	108	V507 I509 V528 C541 R542 L559 F561 M574 K575 I576	V507-V530 HydrophobicContact CG1-CG1 4.41Å; V507-V530 HydrophobicContact CG1-CG2 4.12Å; I509-V530 HydrophobicContact CD1-CG2 4.04Å; I509-V530 HydrophobicContact CG1-CG2 4.34Å; V528-V530 HydrophobicContact CG1-CG2 4.37Å; V530-C541 CarbonylContact O-C 3.56Å; V530-C541 VanDerWaalsContact O-CA 3.3Å; V530-C541 WeakPolarHBondContact O-CA 3.39Å; V530-R542 PolarHBondContact N-O 2.98Å; V530-R542 PolarHBondContact O-N 2.83Å; V530-L559 HydrophobicContact CB-CD1 4.06Å; V530-L559 HydrophobicContact CG2-CD1 3.58Å; V530-F561 HydrophobicContact CB-CE2 4.45Å; V530-F561 HydrophobicContact CB-CZ 4.26Å; V530-F561 HydrophobicContact CG1-CE2 3.91Å; V530-F561 HydrophobicContact CG1-CZ 3.91Å; V530-M574 HydrophobicContact CG1-CG 3.66Å; V530-M574 HydrophobicContact CG1-SD 3.62Å; V530-K575 CarbonylContact C-O 3.54Å; V530-K575 WeakPolarHBondContact CA-O 3.27Å; V530-I576 HydrophobicContact CG1-CG1 4.47Å; V530-I576 HydrophobicContact CG2-CG1 4.27Å; V530-I576 HydrophobicContact CG2-CG2 4.32Å
531	E	94.4	Very high	88.1	Confident	41 Å²	41	49.3 Å²	49.3	19%	0.192	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	124.7	173.8	-179.6	178.4	-177.6	0	0	108.3	T539 E540 M574 K575 F577	E531-T539 HydrophobicContact CG-CG2 4.48Å; E531-T539 VanDerWaalsContact OE1-CG2 3.31Å; E531-T539 WeakPolarHBondContact OE1-CG2 3.41Å; E531-E540 CarbonylContact C-O 3.36Å; E531-E540 WeakPolarHBondContact CA-O 3.36Å; E531-M574 CarbonylContact O-C 3.45Å; E531-M574 WeakPolarHBondContact O-CA 3.41Å; E531-K575 HydrophobicContact CB-CB 4.4Å; E531-K575 PolarHBondContact N-O 2.64Å; E531-K575 PolarHBondContact O-N 2.94Å; E531-F577 HydrophobicContact CB-CE2 3.95Å; E531-F577 WeakPolarHBondContact OE2-CE2 3.35Å
532	L	94.3	Very high	89.4	Confident	4 Å²	4	53.4 Å²	53.4	2%	0.021	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	118.7	171.9	-176.9	69.6	0	0	0	108.1	L505 T539 E540 F561 K564 L569 M574 W631	L505-L532 HydrophobicContact CD2-CD1 4.23Å; L505-L532 HydrophobicContact CD2-CD2 4.18Å; L532-T539 WeakPolarHBondContact O-CA 3.07Å; L532-E540 PolarHBondContact N-O 2.72Å; L532-E540 PolarHBondContact O-N 2.95Å; L532-F561 HydrophobicContact CB-CD1 4.03Å; L532-F561 HydrophobicContact CB-CE1 3.83Å; L532-F561 HydrophobicContact CB-CZ 4.19Å; L532-F561 HydrophobicContact CD2-CB 4.11Å; L532-F561 HydrophobicContact CD2-CD1 4.01Å; L532-F561 HydrophobicContact CD2-CG 4.01Å; L532-K564 HydrophobicContact CD2-CD 4.23Å; L532-K564 HydrophobicContact CD2-CG 4.44Å; L532-L569 HydrophobicContact CD2-CD2 4.27Å; L532-M574 HydrophobicContact CD1-CB 4.2Å; L532-W631 HydrophobicContact CD1-CH2 3.94Å; L532-W631 HydrophobicContact CD1-CZ2 4.31Å
533	T	92.8	Very high	90.4	Very high	17 Å²	17	52.7 Å²	52.7	10%	0.104	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	121.4	174.7	-47.2	0	0	0	0	109	K538 T539 S572 T573	T533-K538 WeakPolarHBondContact CA-O 3.47Å; T533-T539 HydrophobicContact CG2-CG2 3.84Å; T533-S572 CarbonylContact O-C 3.45Å; T533-S572 VanDerWaalsContact O-CA 3.23Å; T533-S572 WeakPolarHBondContact O-CA 3.39Å; T533-S572 VanDerWaalsContact O-CB 3.3Å; T533-S572 WeakPolarHBondContact O-CB 3.38Å; T533-T573 PolarHBondContact N-O 3.34Å; T533-T573 PolarHBondContact O-N 3.46Å
534	D	88.8	Confident	91.4	Very high	26 Å²	26	49 Å²	49	14%	0.139	25%	0.25	C	S	.	.			trans	-81.8	172.7	178.4	80	5.2	0	0	0	111.6	E536 H537 K538	D534-E536 PolarHBondContact O-N 2.86Å; D534-E536 VanDerWaalsContact OD1-CA 3.31Å; D534-E536 WeakPolarHBondContact OD1-CA 3.38Å; D534-E536 WeakPolarHBondContact OD1-CB 3.32Å; D534-E536 PolarHBondContact OD1-N 2.8Å; D534-H537 PolarHBondContact O-N 2.92Å; D534-H537 PolarHBondContact OD1-N 2.94Å; D534-K538 PolarHBondContact N-O 3.07Å; D534-K538 PolarHBondContact OD1-N 3.37Å; D534-K538 WeakPolarHBondContact OD2-CB 3.41Å
535	P	85.1	Confident	91.8	Very high	52 Å²	52	55.2 Å²	55.2	34%	0.338	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-18	178.7	25.6	-33.1	0	0	0	113.8	H537 E571	P535-H537 PolarHBondContact O-N 3.43Å; P535-E571 HydrophobicContact CB-CB 3.97Å; P535-E571 HydrophobicContact CG-CB 4.33Å
536	E	86.3	Confident	91.8	Very high	131 Å²	131	57 Å²	57	61%	0.612	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.8	8.8	172.9	-59.6	-172.5	167.5	0	0	112.5	D534 K538	D534-E536 PolarHBondContact O-N 2.86Å; D534-E536 VanDerWaalsContact OD1-CA 3.31Å; D534-E536 WeakPolarHBondContact OD1-CA 3.38Å; D534-E536 WeakPolarHBondContact OD1-CB 3.32Å; D534-E536 PolarHBondContact OD1-N 2.8Å; E536-K538 HydrophobicContact CB-CG 4.46Å; E536-K538 PolarHBondContact O-N 3.28Å; E536-K538 VanDerWaalsContact OE2-CE 3.32Å; E536-K538 WeakPolarHBondContact OE2-CE 3.16Å; E536-K538 IonicContact OE2-NZ 2.78Å; E536-K538 PolarHBondContact OE2-NZ 3.14Å
537	H	81.2	Confident	91.8	Very high	159 Å²	159	59.3 Å²	59.3	74%	0.736	30%	0.303	S	S	*	.			trans	61.7	19.2	-176.7	-55	-64.3	0	0	0	115.1	D534 P535	D534-H537 PolarHBondContact O-N 2.92Å; D534-H537 PolarHBondContact OD1-N 2.94Å; P535-H537 PolarHBondContact O-N 3.43Å
538	K	86.4	Confident	91.5	Very high	130 Å²	130	61.8 Å²	61.8	57%	0.565	32%	0.318	S	S	*	.			trans	-79.2	134.5	169	-55.1	167.7	175.7	154.9	0	109.1	T533 D534 E536	T533-K538 WeakPolarHBondContact CA-O 3.47Å; D534-K538 PolarHBondContact N-O 3.07Å; D534-K538 PolarHBondContact OD1-N 3.37Å; D534-K538 WeakPolarHBondContact OD2-CB 3.41Å; E536-K538 HydrophobicContact CB-CG 4.46Å; E536-K538 PolarHBondContact O-N 3.28Å; E536-K538 VanDerWaalsContact OE2-CE 3.32Å; E536-K538 WeakPolarHBondContact OE2-CE 3.16Å; E536-K538 IonicContact OE2-NZ 2.78Å; E536-K538 PolarHBondContact OE2-NZ 3.14Å
539	T	88.8	Confident	90.9	Very high	80 Å²	80	69.7 Å²	69.7	49%	0.491	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	130.3	-177	57.9	0	0	0	0	110.7	E531 L532 T533	E531-T539 HydrophobicContact CG-CG2 4.48Å; E531-T539 VanDerWaalsContact OE1-CG2 3.31Å; E531-T539 WeakPolarHBondContact OE1-CG2 3.41Å; L532-T539 WeakPolarHBondContact O-CA 3.07Å; T533-T539 HydrophobicContact CG2-CG2 3.84Å
540	E	92.1	Very high	90.4	Very high	45 Å²	45	70.2 Å²	70.2	21%	0.21	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	131.7	172.3	-169.4	-179.9	165.1	0	0	109.1	E531 L532 R542 F561 K564	E531-E540 CarbonylContact C-O 3.36Å; E531-E540 WeakPolarHBondContact CA-O 3.36Å; L532-E540 PolarHBondContact N-O 2.72Å; L532-E540 PolarHBondContact O-N 2.95Å; E540-R542 IonicContact OE1-CZ 2.68Å; E540-R542 IonicContact OE1-NE 3.28Å; E540-R542 PolarHBondContact OE1-NE 2.94Å; E540-R542 IonicContact OE1-NH2 3.04Å; E540-R542 PolarHBondContact OE1-NH2 3.44Å; E540-F561 HydrophobicContact CB-CD1 3.99Å; E540-F561 HydrophobicContact CB-CE1 3.94Å; E540-F561 VanDerWaalsContact CD-CD1 3.47Å; E540-F561 HydrophobicContact CG-CD1 3.8Å; E540-F561 HydrophobicContact CG-CE1 3.85Å; E540-F561 WeakPolarHBondContact O-CE1 3.33Å; E540-K564 WeakPolarHBondContact OE2-CE 3.28Å; E540-K564 IonicContact OE2-NZ 2.75Å; E540-K564 PolarHBondContact OE2-NZ 2.84Å
541	C	94.4	Very high	89.7	Confident	70 Å²	70	72.4 Å²	72.4	47%	0.473	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	137.2	-177.3	-66.5	0	0	0	0	111.7	T529 V530	T529-C541 HydrophobicContact CG2-CB 4.34Å; V530-C541 CarbonylContact O-C 3.56Å; V530-C541 VanDerWaalsContact O-CA 3.3Å; V530-C541 WeakPolarHBondContact O-CA 3.39Å
542	R	94.8	Very high	89.5	Confident	112 Å²	112	75.5 Å²	75.5	42%	0.423	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	140.9	173.4	-60.8	-66.5	179.7	175.4	-2.3	109.4	T529 V530 E540 L559 F561	T529-R542 CarbonylContact C-O 3.5Å; T529-R542 WeakPolarHBondContact CA-O 3.1Å; V530-R542 PolarHBondContact N-O 2.98Å; V530-R542 PolarHBondContact O-N 2.83Å; E540-R542 IonicContact OE1-CZ 2.68Å; E540-R542 IonicContact OE1-NE 3.28Å; E540-R542 PolarHBondContact OE1-NE 2.94Å; E540-R542 IonicContact OE1-NH2 3.04Å; E540-R542 PolarHBondContact OE1-NH2 3.44Å; R542-L559 HydrophobicContact CB-CB 4.01Å; R542-L559 HydrophobicContact CB-CD1 4.05Å; R542-L559 HydrophobicContact CB-CD2 4.21Å; R542-L559 HydrophobicContact CB-CG 4.31Å; R542-F561 HydrophobicContact CB-CE1 4.43Å; R542-F561 HydrophobicContact CB-CE2 4.45Å; R542-F561 HydrophobicContact CB-CZ 3.92Å; R542-F561 HydrophobicContact CG-CD1 4.26Å; R542-F561 HydrophobicContact CG-CE1 3.64Å; R542-F561 HydrophobicContact CG-CE2 4.12Å; R542-F561 HydrophobicContact CG-CZ 3.56Å
543	S	95.1	Very high	89.3	Confident	66 Å²	66	75.3 Å²	75.3	46%	0.462	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	148.9	-178.1	-60.2	0	0	0	0	112	V528 T529 L559	V528-S543 CarbonylContact O-C 3.59Å; V528-S543 WeakPolarHBondContact O-CA 3.48Å; T529-S543 PolarHBondContact OG1-OG 3.18Å; S543-L559 WeakPolarHBondContact O-CD2 3.38Å
544	T	95.3	Very high	89.4	Confident	12 Å²	12	78.7 Å²	78.7	7%	0.074	39%	0.394	C	S	.	.	P	Polyproline II helix	trans	-81	167.3	172.2	70	0	0	0	0	111.2	I509 V528 W555 L559	I509-T544 HydrophobicContact CB-CG2 3.97Å; I509-T544 HydrophobicContact CG1-CG2 4.04Å; I509-T544 HydrophobicContact CG2-CG2 4.14Å; V528-T544 HydrophobicContact CB-CG2 3.96Å; V528-T544 PolarHBondContact N-OG1 3.47Å; V528-T544 PolarHBondContact O-N 3.14Å; T544-W555 HydrophobicContact CG2-CB 4.47Å; T544-L559 HydrophobicContact CG2-CD1 4.16Å; T544-L559 HydrophobicContact CG2-CD2 4.45Å
545	D	92.4	Very high	89.6	Confident	129 Å²	129	78 Å²	78	69%	0.69	39%	0.39	S	S	*	.	P	Polyproline II helix	trans	-62.8	158	163.8	-68.5	-36.4	0	0	0	111.2
546	Q	91.5	Very high	90.1	Very high	66 Å²	66	80 Å²	80	31%	0.308	40%	0.397	S	S	.	.	P	Polyproline II helix	trans	-86.3	129.5	178.5	-169.1	-179.9	17	0	0	111.1	N525 S526 Y527 L548 R581	N525-Q546 HydrophobicContact CB-CG 4.42Å; N525-Q546 PolarHBondContact O-NE2 2.85Å; S526-Q546 WeakPolarHBondContact O-CA 3.49Å; Y527-Q546 HydrophobicContact CD1-CG 4.48Å; Q546-L548 HydrophobicContact CG-CD2 4.03Å; Q546-R581 PolarHBondContact NE2-O 3.01Å
547	I	91.1	Very high	90.5	Very high	50 Å²	50	74.6 Å²	74.6	26%	0.256	37%	0.374	S	S	.	.	B	Isolated β-bridge	trans	-102.3	122.8	172	-58.3	-59.9	0	0	0	108.8	N525 S526 P553 W555	N525-I547 CarbonylContact C-O 3.56Å; N525-I547 VanDerWaalsContact CA-O 3.31Å; N525-I547 WeakPolarHBondContact CA-O 3.26Å; S526-I547 PolarHBondContact N-O 2.85Å; S526-I547 PolarHBondContact O-N 2.92Å; I547-P553 HydrophobicContact CB-CB 3.8Å; I547-P553 HydrophobicContact CG1-CB 4.22Å; I547-P553 HydrophobicContact CG2-CB 3.77Å; I547-W555 HydrophobicContact CG1-CG 4.2Å
548	L	88.8	Confident	91.2	Very high	88 Å²	88	71.1 Å²	71.1	46%	0.461	36%	0.36	S	S	.	.	P	Polyproline II helix	trans	-88.8	144.8	-174.8	-54.1	-179.9	0	0	0	111.7	N525 Q546 S550	N525-L548 HydrophobicContact CB-CD2 3.71Å; N525-L548 WeakPolarHBondContact OD1-CA 3.17Å; Q546-L548 HydrophobicContact CG-CD2 4.03Å; L548-S550 PolarHBondContact O-N 3.04Å
549	R	84	Confident	91.7	Very high	166 Å²	166	65.7 Å²	65.7	63%	0.626	34%	0.337	S	S	*	.	S	Bend	trans	53.3	48.9	167.3	-50.7	-163.1	-168.3	166.2	-0.1	115	E162 D523 I524 N525	E162-R549 IonicContact OE1-NH1 3.45Å; D523-R549 WeakPolarHBondContact OD1-CA 3.25Å; D523-R549 WeakPolarHBondContact OD1-CB 3.38Å; D523-R549 WeakPolarHBondContact OD1-CG 3.26Å; I524-R549 WeakPolarHBondContact O-CA 3.27Å; I524-R549 PolarHBondContact O-N 2.89Å; N525-R549 PolarHBondContact OD1-N 2.77Å
550	S	85	Confident	92	Very high	30 Å²	30	66.4 Å²	66.4	21%	0.21	34%	0.335	C	S	.	.			trans	-149.3	128.8	-177.7	-177.7	0	0	0	0	112.9	I524 L548 Q552	I524-S550 PolarHBondContact O-N 3.36Å; L548-S550 PolarHBondContact O-N 3.04Å; S550-Q552 VanDerWaalsContact C-N 3.32Å; S550-Q552 PolarHBondContact OG-N 3.04Å; S550-Q552 PolarHBondContact OG-O 3.35Å
551	D	82.2	Confident	92.1	Very high	46 Å²	46	64.3 Å²	64.3	25%	0.246	33%	0.325	C	S	.	.	S	Bend	trans	-82.8	-12	169.1	68.8	-19.8	0	0	0	112.9	N514 L515 T522 P553	N514-D551 PolarHBondContact N-O 2.83Å; L515-D551 PolarHBondContact N-O 3Å; L515-D551 WeakPolarHBondContact O-CB 3.31Å; T522-D551 HydrophobicContact CG2-CB 4.22Å; T522-D551 PolarHBondContact O-N 2.66Å; D551-P553 WeakPolarHBondContact O-CD 3.28Å
552	Q	88.8	Confident	92	Very high	106 Å²	106	63.7 Å²	63.7	50%	0.495	32%	0.322	S	S	.	.	S	Bend	trans	-124.3	58.7	175.8	-68.9	171	77	0	0	111	G512 S550 L554	G512-Q552 CarbonylContact O-C 3.57Å; G512-Q552 VanDerWaalsContact O-CA 3.24Å; G512-Q552 WeakPolarHBondContact O-CA 3.44Å; S550-Q552 VanDerWaalsContact C-N 3.32Å; S550-Q552 PolarHBondContact OG-N 3.04Å; S550-Q552 PolarHBondContact OG-O 3.35Å; Q552-L554 PolarHBondContact O-N 3.27Å
553	P	91.7	Very high	91.8	Very high	0 Å²	0	64.3 Å²	64.3	0%	0	33%	0.334	C	S	.	.			trans	-64.8	137.4	-174.5	31	-38.8	0	0	0	111.5	E511 G512 L515 S526 I547 D551 W555	E511-P553 CarbonylContact C-O 3.56Å; E511-P553 VanDerWaalsContact CA-O 3.27Å; E511-P553 WeakPolarHBondContact CA-O 3.13Å; G512-P553 PolarHBondContact N-O 3.18Å; L515-P553 HydrophobicContact CD1-CG 3.45Å; L515-P553 VanDerWaalsContact CD1-CG 3.45Å; L515-P553 HydrophobicContact CG-CG 4.35Å; S526-P553 WeakPolarHBondContact OG-CB 3.21Å; S526-P553 WeakPolarHBondContact OG-CG 3.27Å; I547-P553 HydrophobicContact CB-CB 3.8Å; I547-P553 HydrophobicContact CG1-CB 4.22Å; I547-P553 HydrophobicContact CG2-CB 3.77Å; D551-P553 WeakPolarHBondContact O-CD 3.28Å; P553-W555 HydrophobicContact CB-CD2 4.24Å; P553-W555 HydrophobicContact CB-CH2 4.48Å; P553-W555 HydrophobicContact CB-CZ2 3.94Å; P553-W555 HydrophobicContact CG-CD2 4.21Å; P553-W555 HydrophobicContact CG-CE3 4.31Å; P553-W555 HydrophobicContact CG-CH2 3.49Å; P553-W555 VanDerWaalsContact CG-CH2 3.49Å; P553-W555 HydrophobicContact CG-CZ2 3.27Å; P553-W555 HydrophobicContact CG-CZ3 4Å
554	L	93.5	Very high	91.6	Very high	88 Å²	88	62.6 Å²	62.6	46%	0.461	32%	0.318	S	S	.	.			trans	-103.4	87.6	170.3	-62.8	179.3	0	0	0	108.5	E511 Q552	E511-L554 HydrophobicContact CB-CD2 3.47Å; E511-L554 VanDerWaalsContact CB-CD2 3.47Å; E511-L554 HydrophobicContact CG-CD2 4.47Å; E511-L554 WeakPolarHBondContact OE2-CD2 3.34Å; Q552-L554 PolarHBondContact O-N 3.27Å
555	W	94.2	Very high	91.4	Very high	13 Å²	13	66.5 Å²	66.5	5%	0.049	33%	0.332	C	S	.	.			trans	-70.2	-42.1	178.3	-61	-75.6	0	0	0	112	I476 I509 K510 E511 L515 S526 V528 T544 I547 P553 S557 I578	I476-W555 HydrophobicContact CD1-CZ3 4.2Å; I476-W555 HydrophobicContact CG1-CZ3 4.26Å; I509-W555 HydrophobicContact CG2-CB 4.18Å; I509-W555 HydrophobicContact CG2-CD2 4.14Å; I509-W555 HydrophobicContact CG2-CE3 3.63Å; I509-W555 HydrophobicContact CG2-CG 4.39Å; I509-W555 HydrophobicContact CG2-CZ3 4.28Å; K510-W555 PolarHBondContact O-N 3.11Å; E511-W555 VanDerWaalsContact C-CZ3 3.5Å; L515-W555 HydrophobicContact CD1-CH2 3.79Å; L515-W555 HydrophobicContact CD1-CZ2 3.95Å; S526-W555 PolarHBondContact O-NE1 2.83Å; S526-W555 VanDerWaalsContact O-NE1 3.11Å; V528-W555 HydrophobicContact CG2-CD2 3.82Å; V528-W555 HydrophobicContact CG2-CE3 3.93Å; V528-W555 HydrophobicContact CG2-CH2 3.51Å; V528-W555 HydrophobicContact CG2-CZ2 3.44Å; V528-W555 VanDerWaalsContact CG2-CZ2 3.44Å; V528-W555 HydrophobicContact CG2-CZ3 3.77Å; T544-W555 HydrophobicContact CG2-CB 4.47Å; I547-W555 HydrophobicContact CG1-CG 4.2Å; P553-W555 HydrophobicContact CB-CD2 4.24Å; P553-W555 HydrophobicContact CB-CH2 4.48Å; P553-W555 HydrophobicContact CB-CZ2 3.94Å; P553-W555 HydrophobicContact CG-CD2 4.21Å; P553-W555 HydrophobicContact CG-CE3 4.31Å; P553-W555 HydrophobicContact CG-CH2 3.49Å; P553-W555 VanDerWaalsContact CG-CH2 3.49Å; P553-W555 HydrophobicContact CG-CZ2 3.27Å; P553-W555 HydrophobicContact CG-CZ3 4Å; W555-S557 PolarHBondContact O-N 3.1Å; W555-S557 VanDerWaalsContact O-N 3.07Å; W555-S557 PolarHBondContact O-OG 3.48Å; W555-I578 HydrophobicContact CH2-CG2 4.26Å; W555-I578 HydrophobicContact CZ2-CG2 4.3Å
556	N	94.4	Very high	91.2	Very high	93 Å²	93	61.5 Å²	61.5	50%	0.497	31%	0.305	S	S	.	.			trans	41.9	44.8	-178.1	-168.5	48.2	0	0	0	113.7	W508 I509 K510	W508-N556 WeakPolarHBondContact CZ2-OD1 3.35Å; W508-N556 PolarHBondContact NE1-OD1 3.13Å; I509-N556 CarbonylContact O-C 3.57Å; I509-N556 WeakPolarHBondContact O-CA 3.49Å; I509-N556 PolarHBondContact O-N 3.29Å; I509-N556 VanDerWaalsContact O-N 3.09Å; K510-N556 PolarHBondContact O-N 3.24Å
557	S	94.6	Very high	91	Very high	17 Å²	17	61 Å²	61	12%	0.119	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	137.1	-174.3	-57.9	0	0	0	0	110.8	I509 W555	I509-S557 PolarHBondContact N-O 3.14Å; I509-S557 PolarHBondContact O-N 3.21Å; W555-S557 PolarHBondContact O-N 3.1Å; W555-S557 VanDerWaalsContact O-N 3.07Å; W555-S557 PolarHBondContact O-OG 3.48Å
558	L	96.2	Very high	90.9	Very high	86 Å²	86	61.5 Å²	61.5	45%	0.45	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	120	174.7	-178.9	65.2	0	0	0	109.4	D506 W508 Q560 W641	D506-L558 HydrophobicContact CB-CD1 4.05Å; W508-L558 HydrophobicContact CB-CD1 4.08Å; L558-Q560 HydrophobicContact CG-CG 4.3Å; L558-W641 HydrophobicContact CD1-CH2 3.79Å
559	L	96.3	Very high	90.9	Very high	16 Å²	16	57.4 Å²	57.4	8%	0.084	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	139.1	175.6	-52	177	0	0	0	108.6	V507 I509 V530 R542 S543 T544	V507-L559 HydrophobicContact CB-CB 4.31Å; V507-L559 PolarHBondContact N-O 3.15Å; V507-L559 PolarHBondContact O-N 3.39Å; I509-L559 HydrophobicContact CG1-CD1 4.18Å; V530-L559 HydrophobicContact CB-CD1 4.06Å; V530-L559 HydrophobicContact CG2-CD1 3.58Å; R542-L559 HydrophobicContact CB-CB 4.01Å; R542-L559 HydrophobicContact CB-CD1 4.05Å; R542-L559 HydrophobicContact CB-CD2 4.21Å; R542-L559 HydrophobicContact CB-CG 4.31Å; S543-L559 WeakPolarHBondContact O-CD2 3.38Å; T544-L559 HydrophobicContact CG2-CD1 4.16Å; T544-L559 HydrophobicContact CG2-CD2 4.45Å
560	Q	95.4	Very high	91	Very high	96 Å²	96	52.7 Å²	52.7	45%	0.449	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	135.6	-174.9	-58.4	-169.5	-61.1	0	0	111	V504 D506 L558	V504-Q560 HydrophobicContact CG1-CB 3.93Å; V504-Q560 HydrophobicContact CG1-CG 4.42Å; D506-Q560 WeakPolarHBondContact OD1-CG 2.92Å; D506-Q560 PolarHBondContact OD1-NE2 3.2Å; L558-Q560 HydrophobicContact CG-CG 4.3Å
561	F	94.6	Very high	91.1	Very high	0 Å²	0	56 Å²	56	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	103.2	171.4	-61.7	-93.2	0	0	0	108.1	V504 L505 V507 V530 L532 E540 R542 K564	V504-F561 WeakPolarHBondContact CA-O 3.19Å; L505-F561 HydrophobicContact CB-CB 4.24Å; L505-F561 HydrophobicContact CD2-CD2 4.43Å; L505-F561 PolarHBondContact N-O 2.73Å; L505-F561 PolarHBondContact O-N 3.49Å; V507-F561 HydrophobicContact CG2-CD2 4.06Å; V507-F561 HydrophobicContact CG2-CE2 3.92Å; V530-F561 HydrophobicContact CB-CE2 4.45Å; V530-F561 HydrophobicContact CB-CZ 4.26Å; V530-F561 HydrophobicContact CG1-CE2 3.91Å; V530-F561 HydrophobicContact CG1-CZ 3.91Å; L532-F561 HydrophobicContact CB-CD1 4.03Å; L532-F561 HydrophobicContact CB-CE1 3.83Å; L532-F561 HydrophobicContact CB-CZ 4.19Å; L532-F561 HydrophobicContact CD2-CB 4.11Å; L532-F561 HydrophobicContact CD2-CD1 4.01Å; L532-F561 HydrophobicContact CD2-CG 4.01Å; E540-F561 HydrophobicContact CB-CD1 3.99Å; E540-F561 HydrophobicContact CB-CE1 3.94Å; E540-F561 VanDerWaalsContact CD-CD1 3.47Å; E540-F561 HydrophobicContact CG-CD1 3.8Å; E540-F561 HydrophobicContact CG-CE1 3.85Å; E540-F561 WeakPolarHBondContact O-CE1 3.33Å; R542-F561 HydrophobicContact CB-CE1 4.43Å; R542-F561 HydrophobicContact CB-CE2 4.45Å; R542-F561 HydrophobicContact CB-CZ 3.92Å; R542-F561 HydrophobicContact CG-CD1 4.26Å; R542-F561 HydrophobicContact CG-CE1 3.64Å; R542-F561 HydrophobicContact CG-CE2 4.12Å; R542-F561 HydrophobicContact CG-CZ 3.56Å; F561-K564 HydrophobicContact CB-CG 4.25Å
562	S	92.3	Very high	91.4	Very high	58 Å²	58	54 Å²	54	41%	0.406	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	161.5	-175.4	-53.1	0	0	0	0	112.3	K564	S562-K564 VanDerWaalsContact C-N 3.33Å; S562-K564 PolarHBondContact O-N 2.68Å
563	N	89.9	Confident	91.5	Very high	124 Å²	124	50.2 Å²	50.2	66%	0.663	26%	0.261	S	S	*	.	E	Extended strand (participates in β ladder)	trans	56.9	43.7	173.2	-53.6	-25.9	0	0	0	112.9	I502 G503	I502-N563 HydrophobicContact CD1-CB 4.49Å; G503-N563 PolarHBondContact O-N 2.99Å; G503-N563 VanDerWaalsContact O-N 3.12Å
564	K	91.9	Very high	91.5	Very high	30 Å²	30	50.2 Å²	50.2	13%	0.13	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	138.3	174.9	-56.7	-57.9	175.8	-176.4	0	109.6	F482 I502 G503 L532 E540 F561 S562 L569	F482-K564 HydrophobicContact CE2-CB 4.3Å; F482-K564 WeakPolarHBondContact CZ-O 3.32Å; I502-K564 WeakPolarHBondContact CA-O 3.32Å; G503-K564 PolarHBondContact N-O 2.82Å; G503-K564 PolarHBondContact O-N 2.85Å; G503-K564 VanDerWaalsContact O-N 3.08Å; L532-K564 HydrophobicContact CD2-CD 4.23Å; L532-K564 HydrophobicContact CD2-CG 4.44Å; E540-K564 WeakPolarHBondContact OE2-CE 3.28Å; E540-K564 IonicContact OE2-NZ 2.75Å; E540-K564 PolarHBondContact OE2-NZ 2.84Å; F561-K564 HydrophobicContact CB-CG 4.25Å; S562-K564 VanDerWaalsContact C-N 3.33Å; S562-K564 PolarHBondContact O-N 2.68Å; K564-L569 HydrophobicContact CB-CD1 4.21Å; K564-L569 HydrophobicContact CB-CD2 4.11Å; K564-L569 HydrophobicContact CB-CG 4.08Å; K564-L569 HydrophobicContact CG-CD2 4.4Å
565	Y	91.2	Very high	91.4	Very high	95 Å²	95	49.2 Å²	49.2	37%	0.373	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	146.6	171.6	-69.2	-91.9	0	0	0	110.4	D500 L501 I502 S567 E568 L569	D500-Y565 WeakPolarHBondContact OD2-CB 3.43Å; L501-Y565 CarbonylContact O-C 3.44Å; L501-Y565 WeakPolarHBondContact O-CA 3.41Å; I502-Y565 HydrophobicContact CB-CD1 4.16Å; I502-Y565 HydrophobicContact CB-CE1 3.99Å; I502-Y565 HydrophobicContact CD1-CE1 4.31Å; I502-Y565 HydrophobicContact CD1-CE2 4.19Å; I502-Y565 HydrophobicContact CG1-CE1 4.43Å; Y565-S567 VanDerWaalsContact C-N 3.28Å; Y565-S567 PolarHBondContact O-N 3.42Å; Y565-E568 WeakPolarHBondContact CD2-OE1 3.48Å; Y565-E568 PolarHBondContact N-OE2 3.27Å; Y565-E568 WeakPolarHBondContact O-CB 3.41Å; Y565-E568 PolarHBondContact O-N 2.84Å; Y565-L569 WeakPolarHBondContact O-CG 3.09Å; Y565-L569 PolarHBondContact O-N 2.85Å
566	L	87.8	Confident	91.4	Very high	24 Å²	24	48.6 Å²	48.6	13%	0.126	25%	0.251	C	S	.	.	H	α-helix	trans	-63.9	-38.9	179.3	-177.1	61.9	0	0	0	110.9	F482 D500 L501 E568 L569 I570 T635	F482-L566 HydrophobicContact CD1-CD1 3.99Å; F482-L566 HydrophobicContact CE1-CB 3.95Å; F482-L566 HydrophobicContact CE1-CD1 4.11Å; F482-L566 HydrophobicContact CZ-CB 4.45Å; D500-L566 PolarHBondContact OD1-N 2.85Å; L501-L566 HydrophobicContact CB-CB 4.13Å; L501-L566 HydrophobicContact CD1-CD2 3.92Å; L501-L566 PolarHBondContact O-N 3.3Å; L566-E568 VanDerWaalsContact C-N 3.35Å; L566-E568 PolarHBondContact O-N 2.67Å; L566-L569 PolarHBondContact O-N 2.94Å; L566-I570 HydrophobicContact CG-CD1 4.36Å; L566-I570 VanDerWaalsContact O-CG1 3.31Å; L566-I570 WeakPolarHBondContact O-CG1 3.27Å; L566-I570 PolarHBondContact O-N 3.13Å; L566-T635 HydrophobicContact CD1-CG2 4.19Å
567	S	87.2	Confident	91.4	Very high	56 Å²	56	45.4 Å²	45.4	39%	0.392	23%	0.232	S	C	.	.	H	α-helix	trans	-56.7	-45.9	173.7	65.6	0	0	0	0	112.3	D500 Y565 I570	D500-S567 VanDerWaalsContact CG-OG 3.29Å; D500-S567 PolarHBondContact OD1-N 2.82Å; D500-S567 PolarHBondContact OD1-OG 2.98Å; D500-S567 VanDerWaalsContact OD2-CB 3.3Å; D500-S567 WeakPolarHBondContact OD2-CB 3.4Å; D500-S567 PolarHBondContact OD2-OG 3.46Å; Y565-S567 VanDerWaalsContact C-N 3.28Å; Y565-S567 PolarHBondContact O-N 3.42Å; S567-I570 PolarHBondContact O-N 3.26Å
568	E	89.3	Confident	91.3	Very high	59 Å²	59	44.6 Å²	44.6	28%	0.276	23%	0.227	S	C	.	.	H	α-helix	trans	-63	-43.3	175.9	-68.4	171.6	175.4	0	0	111.3	Y565 L566 I570 E571 S572	Y565-E568 WeakPolarHBondContact CD2-OE1 3.48Å; Y565-E568 PolarHBondContact N-OE2 3.27Å; Y565-E568 WeakPolarHBondContact O-CB 3.41Å; Y565-E568 PolarHBondContact O-N 2.84Å; L566-E568 VanDerWaalsContact C-N 3.35Å; L566-E568 PolarHBondContact O-N 2.67Å; E568-I570 VanDerWaalsContact C-N 3.32Å; E568-I570 PolarHBondContact O-N 2.85Å; E568-E571 CarbonylContact O-C 3.53Å; E568-E571 PolarHBondContact O-N 3.2Å; E568-E571 VanDerWaalsContact O-N 3.16Å; E568-S572 WeakPolarHBondContact O-CB 3.45Å; E568-S572 PolarHBondContact O-N 3.28Å; E568-S572 PolarHBondContact O-OG 3.43Å
569	L	88.8	Confident	91.1	Very high	3 Å²	3	42.5 Å²	42.5	2%	0.016	21%	0.213	C	C	.	.	H	α-helix	trans	-63.8	-35.8	-179.9	-72.4	179.3	0	0	0	112.5	F482 L505 L532 K564 Y565 L566 E571 S572 W631	F482-L569 HydrophobicContact CD1-CD1 4.5Å; F482-L569 HydrophobicContact CD2-CD1 3.24Å; F482-L569 HydrophobicContact CE2-CD1 3.35Å; F482-L569 HydrophobicContact CG-CD1 3.86Å; F482-L569 HydrophobicContact CZ-CD1 4.05Å; L505-L569 HydrophobicContact CB-CD1 4.43Å; L505-L569 HydrophobicContact CD2-CD2 4Å; L532-L569 HydrophobicContact CD2-CD2 4.27Å; K564-L569 HydrophobicContact CB-CD1 4.21Å; K564-L569 HydrophobicContact CB-CD2 4.11Å; K564-L569 HydrophobicContact CB-CG 4.08Å; K564-L569 HydrophobicContact CG-CD2 4.4Å; Y565-L569 WeakPolarHBondContact O-CG 3.09Å; Y565-L569 PolarHBondContact O-N 2.85Å; L566-L569 PolarHBondContact O-N 2.94Å; L569-E571 PolarHBondContact O-N 2.86Å; L569-S572 PolarHBondContact O-N 2.89Å; L569-W631 HydrophobicContact CD2-CZ2 4.39Å; L569-W631 PolarHBondContact O-NE1 2.91Å
570	I	86.6	Confident	90.9	Very high	67 Å²	67	41.8 Å²	41.8	34%	0.344	21%	0.209	S	C	.	.	H	α-helix	trans	-59.3	-34.6	176	-71.4	165.3	0	0	0	111.3	L566 S567 E568 N598 T635	L566-I570 HydrophobicContact CG-CD1 4.36Å; L566-I570 VanDerWaalsContact O-CG1 3.31Å; L566-I570 WeakPolarHBondContact O-CG1 3.27Å; L566-I570 PolarHBondContact O-N 3.13Å; S567-I570 PolarHBondContact O-N 3.26Å; E568-I570 VanDerWaalsContact C-N 3.32Å; E568-I570 PolarHBondContact O-N 2.85Å; I570-N598 VanDerWaalsContact O-CB 3.23Å; I570-N598 WeakPolarHBondContact O-CB 3.26Å; I570-N598 PolarHBondContact O-ND2 3.23Å; I570-T635 HydrophobicContact CG1-CG2 3.83Å
571	E	86	Confident	90.6	Very high	99 Å²	99	41.7 Å²	41.7	46%	0.463	21%	0.205	S	C	.	.	H	α-helix	trans	-95.9	-12.1	179.3	-62.4	-153.4	-148.8	0	0	114.5	P535 E568 L569 K599	P535-E571 HydrophobicContact CB-CB 3.97Å; P535-E571 HydrophobicContact CG-CB 4.33Å; E568-E571 CarbonylContact O-C 3.53Å; E568-E571 PolarHBondContact O-N 3.2Å; E568-E571 VanDerWaalsContact O-N 3.16Å; L569-E571 PolarHBondContact O-N 2.86Å; E571-K599 IonicContact OE2-NZ 3.78Å; E571-K599 PolarHBondContact OE2-NZ 3.37Å
572	S	89.6	Confident	89.8	Confident	3 Å²	3	44.6 Å²	44.6	2%	0.021	23%	0.225	C	C	.	.			trans	-71.6	157.4	-178.8	-65.9	0	0	0	0	112.2	T533 E568 L569	T533-S572 CarbonylContact O-C 3.45Å; T533-S572 VanDerWaalsContact O-CA 3.23Å; T533-S572 WeakPolarHBondContact O-CA 3.39Å; T533-S572 VanDerWaalsContact O-CB 3.3Å; T533-S572 WeakPolarHBondContact O-CB 3.38Å; E568-S572 WeakPolarHBondContact O-CB 3.45Å; E568-S572 PolarHBondContact O-N 3.28Å; E568-S572 PolarHBondContact O-OG 3.43Å; L569-S572 PolarHBondContact O-N 2.89Å
573	T	89.7	Confident	89.1	Confident	28 Å²	28	44.2 Å²	44.2	17%	0.172	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	134.8	171	70.2	0	0	0	0	109.7	T533	T533-T573 PolarHBondContact N-O 3.34Å; T533-T573 PolarHBondContact O-N 3.46Å
574	M	92.2	Very high	88.3	Confident	0 Å²	0	43.8 Å²	43.8	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	124.4	175.7	-170.8	179	63.8	0	0	109.7	L480 V507 V530 E531 L532 I576 Q595 I596 W631	L480-M574 HydrophobicContact CD1-CE 3.7Å; L480-M574 HydrophobicContact CD2-CE 4.09Å; V507-M574 HydrophobicContact CG1-SD 4.45Å; V507-M574 HydrophobicContact CG2-SD 4Å; V530-M574 HydrophobicContact CG1-CG 3.66Å; V530-M574 HydrophobicContact CG1-SD 3.62Å; E531-M574 CarbonylContact O-C 3.45Å; E531-M574 WeakPolarHBondContact O-CA 3.41Å; L532-M574 HydrophobicContact CD1-CB 4.2Å; M574-I576 HydrophobicContact CE-CD1 3.96Å; M574-I576 HydrophobicContact CE-CG1 4.32Å; M574-Q595 WeakPolarHBondContact O-CA 3.48Å; M574-I596 HydrophobicContact CB-CB 4.49Å; M574-I596 HydrophobicContact CE-CB 4.16Å; M574-I596 HydrophobicContact CE-CD1 3.47Å; M574-I596 VanDerWaalsContact CE-CD1 3.47Å; M574-I596 HydrophobicContact CE-CG1 4.07Å; M574-I596 PolarHBondContact N-O 2.92Å; M574-I596 PolarHBondContact O-N 3.13Å; M574-W631 HydrophobicContact CB-CH2 3.79Å; M574-W631 HydrophobicContact CB-CZ3 3.74Å; M574-W631 HydrophobicContact CE-CE3 4.43Å; M574-W631 HydrophobicContact CE-CZ3 3.76Å; M574-W631 HydrophobicContact CG-CZ3 4.46Å; M574-W631 HydrophobicContact SD-CH2 4.37Å; M574-W631 HydrophobicContact SD-CZ3 3.96Å
575	K	92.1	Very high	87.5	Confident	67 Å²	67	51.8 Å²	51.8	29%	0.291	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	133.7	174.2	-68.5	175.7	-176.1	167.5	0	109.5	V530 E531 F577 V594 Q595	V530-K575 CarbonylContact C-O 3.54Å; V530-K575 WeakPolarHBondContact CA-O 3.27Å; E531-K575 HydrophobicContact CB-CB 4.4Å; E531-K575 PolarHBondContact N-O 2.64Å; E531-K575 PolarHBondContact O-N 2.94Å; K575-F577 HydrophobicContact CB-CD2 4.39Å; K575-F577 HydrophobicContact CB-CE2 3.57Å; K575-F577 HydrophobicContact CB-CZ 3.91Å; K575-F577 HydrophobicContact CD-CZ 4.16Å; K575-V594 CarbonylContact C-O 3.59Å; K575-V594 WeakPolarHBondContact CA-O 3.24Å; K575-Q595 HydrophobicContact CG-CB 4.36Å; K575-Q595 HydrophobicContact CG-CG 4.03Å
576	I	93.9	Very high	86.9	Confident	0 Å²	0	49.3 Å²	49.3	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	119	-179.8	-52.8	178.7	0	0	0	107.3	I476 L478 V528 T529 V530 M574 I578 I593 V594 I596	I476-I576 HydrophobicContact CD1-CG2 4.04Å; L478-I576 HydrophobicContact CD2-CD1 3.29Å; V528-I576 HydrophobicContact CG1-CG2 3.32Å; T529-I576 CarbonylContact O-C 3.57Å; T529-I576 WeakPolarHBondContact O-CA 3.5Å; V530-I576 HydrophobicContact CG1-CG1 4.47Å; V530-I576 HydrophobicContact CG2-CG1 4.27Å; V530-I576 HydrophobicContact CG2-CG2 4.32Å; M574-I576 HydrophobicContact CE-CD1 3.96Å; M574-I576 HydrophobicContact CE-CG1 4.32Å; I576-I578 HydrophobicContact CG2-CD1 4.48Å; I576-I593 CarbonylContact O-C 3.59Å; I576-I593 VanDerWaalsContact O-CA 3.28Å; I576-I593 WeakPolarHBondContact O-CA 3.46Å; I576-V594 HydrophobicContact CB-CB 4.23Å; I576-V594 PolarHBondContact N-O 2.77Å; I576-V594 PolarHBondContact O-N 2.93Å; I576-I596 HydrophobicContact CD1-CD1 4.29Å
577	F	93.4	Very high	86.7	Confident	25 Å²	25	55.4 Å²	55.4	11%	0.11	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	128	-179.3	-58.9	-95.2	0	0	0	109.4	V528 T529 E531 K575 W579 L590 I593	V528-F577 CarbonylContact C-O 3.57Å; V528-F577 WeakPolarHBondContact CA-O 3.14Å; T529-F577 PolarHBondContact N-O 2.92Å; T529-F577 PolarHBondContact O-N 2.8Å; E531-F577 HydrophobicContact CB-CE2 3.95Å; E531-F577 WeakPolarHBondContact OE2-CE2 3.35Å; K575-F577 HydrophobicContact CB-CD2 4.39Å; K575-F577 HydrophobicContact CB-CE2 3.57Å; K575-F577 HydrophobicContact CB-CZ 3.91Å; K575-F577 HydrophobicContact CD-CZ 4.16Å; F577-W579 HydrophobicContact CB-CZ2 4.01Å; F577-W579 HydrophobicContact CD1-CZ2 4.22Å; F577-W579 HydrophobicContact CG-CZ2 4.27Å; F577-L590 HydrophobicContact CB-CD1 4.04Å; F577-L590 HydrophobicContact CD1-CD1 4Å; F577-I593 HydrophobicContact CD1-CD1 4.02Å; F577-I593 HydrophobicContact CD1-CG1 3.79Å; F577-I593 HydrophobicContact CD1-CG2 4.33Å; F577-I593 HydrophobicContact CE1-CD1 3.79Å; F577-I593 HydrophobicContact CE1-CG1 4.05Å; F577-I593 HydrophobicContact CE1-CG2 4.24Å
578	I	93.1	Very high	86.8	Confident	0 Å²	0	55 Å²	55	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	117.7	175.8	-57.2	83.6	0	0	0	107.4	I476 L515 V528 W555 I576 L591 G592 I648	I476-I578 HydrophobicContact CD1-CG1 4.35Å; L515-I578 HydrophobicContact CD1-CG2 3.97Å; L515-I578 HydrophobicContact CD2-CG2 4.4Å; V528-I578 HydrophobicContact CG2-CG1 4.29Å; W555-I578 HydrophobicContact CH2-CG2 4.26Å; W555-I578 HydrophobicContact CZ2-CG2 4.3Å; I576-I578 HydrophobicContact CG2-CD1 4.48Å; I578-L591 HydrophobicContact CB-CB 4.4Å; I578-L591 HydrophobicContact CG2-CB 4.22Å; I578-L591 HydrophobicContact CG2-CD1 4Å; I578-L591 WeakPolarHBondContact O-CB 3.24Å; I578-L591 PolarHBondContact O-N 2.86Å; I578-G592 PolarHBondContact N-O 2.87Å; I578-G592 PolarHBondContact O-N 2.9Å; I578-I648 HydrophobicContact CD1-CD1 3.89Å; I578-I648 HydrophobicContact CD1-CG1 3.87Å; I578-I648 HydrophobicContact CD1-CG2 3.91Å; I578-I648 HydrophobicContact CG1-CD1 3.99Å
579	W	92.8	Very high	86.7	Confident	43 Å²	43	53.1 Å²	53.1	16%	0.163	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	154	-175.5	-61.4	96.2	0	0	0	111.1	S526 Y527 F577 P588 E589 L590	S526-W579 WeakPolarHBondContact CA-O 3.48Å; S526-W579 WeakPolarHBondContact CB-O 3.24Å; Y527-W579 HydrophobicContact CD1-CB 3.85Å; Y527-W579 HydrophobicContact CD2-CB 4.19Å; Y527-W579 HydrophobicContact CD2-CG 4.43Å; Y527-W579 HydrophobicContact CE1-CB 3.35Å; Y527-W579 HydrophobicContact CE1-CG 4.16Å; Y527-W579 HydrophobicContact CE2-CB 3.73Å; Y527-W579 AromaticContact CE2-CD1 3.48Å; Y527-W579 VanDerWaalsContact CE2-CD1 3.48Å; Y527-W579 AromaticContact CE2-CG 3.72Å; Y527-W579 HydrophobicContact CE2-CG 3.72Å; Y527-W579 HydrophobicContact CG-CB 4.24Å; Y527-W579 AromaticContact CZ-CD1 3.84Å; Y527-W579 AromaticContact CZ-CG 3.57Å; Y527-W579 PolarHBondContact N-O 3.21Å; Y527-W579 VanDerWaalsContact N-O 3.08Å; Y527-W579 PolarHBondContact O-N 2.91Å; F577-W579 HydrophobicContact CB-CZ2 4.01Å; F577-W579 HydrophobicContact CD1-CZ2 4.22Å; F577-W579 HydrophobicContact CG-CZ2 4.27Å; W579-P588 HydrophobicContact CB-CB 4.48Å; W579-P588 HydrophobicContact CE3-CB 3.99Å; W579-P588 HydrophobicContact CE3-CG 4.11Å; W579-P588 HydrophobicContact CZ3-CG 4.47Å; W579-E589 CarbonylContact C-O 3.55Å; W579-E589 WeakPolarHBondContact CA-O 3.4Å; W579-L590 HydrophobicContact CD2-CD1 4.08Å; W579-L590 HydrophobicContact CE3-CB 3.96Å; W579-L590 HydrophobicContact CE3-CD1 4.09Å; W579-L590 HydrophobicContact CH2-CB 4.23Å; W579-L590 HydrophobicContact CH2-CD1 4.02Å; W579-L590 HydrophobicContact CZ2-CD1 3.99Å; W579-L590 HydrophobicContact CZ3-CB 3.67Å; W579-L590 HydrophobicContact CZ3-CD1 4.07Å; W579-L590 HydrophobicContact CZ3-CG 4.4Å
580	N	90.6	Very high	86.7	Confident	1 Å²	1	53.9 Å²	53.9	1%	0.005	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	124	167.2	173.9	34.9	0	0	0	109.5	S517 I524 N525 S582 P588 E589 L591	S517-N580 PolarHBondContact OG-ND2 2.93Å; I524-N580 HydrophobicContact CG2-CB 3.59Å; I524-N580 VanDerWaalsContact CG2-CG 3.42Å; I524-N580 VanDerWaalsContact CG2-OD1 3.31Å; I524-N580 WeakPolarHBondContact CG2-OD1 3.39Å; N525-N580 PolarHBondContact N-OD1 2.98Å; N525-N580 WeakPolarHBondContact O-CA 3.29Å; N525-N580 PolarHBondContact O-OD1 3.05Å; N580-S582 PolarHBondContact ND2-OG 2.95Å; N580-P588 CarbonylContact O-C 3.53Å; N580-P588 WeakPolarHBondContact O-CA 3.46Å; N580-E589 HydrophobicContact CB-CB 4.28Å; N580-E589 PolarHBondContact N-O 2.83Å; N580-E589 PolarHBondContact ND2-OE2 3.11Å; N580-E589 PolarHBondContact O-N 2.8Å; N580-L591 HydrophobicContact CB-CD1 4.01Å; N580-L591 HydrophobicContact CB-CD2 3.63Å; N580-L591 HydrophobicContact CB-CG 3.86Å
581	R	88.9	Confident	86.6	Confident	93 Å²	93	51.5 Å²	51.5	35%	0.351	26%	0.264	S	S	.	.			trans	-112.2	94.1	174.9	-177.5	175.9	-164.2	162.8	0.5	110.3	N525 Y527 Q546 S583 N584 P588	N525-R581 WeakPolarHBondContact CB-O 3.22Å; N525-R581 PolarHBondContact ND2-O 2.87Å; N525-R581 PolarHBondContact O-N 2.75Å; Y527-R581 HydrophobicContact CE1-CB 4.04Å; Q546-R581 PolarHBondContact NE2-O 3.01Å; R581-S583 VanDerWaalsContact C-N 3.26Å; R581-S583 WeakPolarHBondContact CG-O 3.16Å; R581-S583 PolarHBondContact NE-O 2.88Å; R581-S583 PolarHBondContact O-N 3.22Å; R581-N584 PolarHBondContact NH2-O 2.87Å; R581-P588 HydrophobicContact CB-CB 4.4Å
582	S	79.1	Confident	86.5	Confident	62 Å²	62	46.8 Å²	46.8	43%	0.434	24%	0.242	S	C	.	.	S	Bend	trans	-63.1	-31.4	-179.1	-52.4	0	0	0	0	113.1	N580	N580-S582 PolarHBondContact ND2-OG 2.95Å
583	S	76.4	Confident	86.5	Confident	49 Å²	49	47.7 Å²	47.7	34%	0.343	25%	0.246	S	C	.	.			trans	-146.8	151.5	176.7	168.7	0	0	0	0	110.3	R581 F585 S586	R581-S583 VanDerWaalsContact C-N 3.26Å; R581-S583 WeakPolarHBondContact CG-O 3.16Å; R581-S583 PolarHBondContact NE-O 2.88Å; R581-S583 PolarHBondContact O-N 3.22Å; S583-F585 PolarHBondContact O-N 2.83Å; S583-F585 VanDerWaalsContact O-N 3.17Å; S583-F585 PolarHBondContact OG-N 2.98Å; S583-F585 VanDerWaalsContact OG-N 3.15Å; S583-S586 WeakPolarHBondContact CB-OG 3.31Å; S583-S586 PolarHBondContact N-OG 3.45Å; S583-S586 VanDerWaalsContact N-OG 3.16Å; S583-S586 PolarHBondContact O-N 2.59Å; S583-S586 PolarHBondContact O-OG 3.28Å; S583-S586 VanDerWaalsContact O-OG 3.12Å
584	N	74.4	Confident	86.4	Confident	115 Å²	115	46.5 Å²	46.5	62%	0.615	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.9	-22.9	172.8	-72	-7.6	0	0	0	112.4	R581	R581-N584 PolarHBondContact NH2-O 2.87Å
585	F	74	Confident	86.2	Confident	198 Å²	198	47.7 Å²	47.7	87%	0.868	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-99.6	-8.8	-177.2	-55.9	-73.2	0	0	0	114.3	S583	S583-F585 PolarHBondContact O-N 2.83Å; S583-F585 VanDerWaalsContact O-N 3.17Å; S583-F585 PolarHBondContact OG-N 2.98Å; S583-F585 VanDerWaalsContact OG-N 3.15Å
586	S	78.8	Confident	86	Confident	44 Å²	44	44.5 Å²	44.5	31%	0.308	23%	0.231	S	C	.	.	S	Bend	trans	-98.9	147.3	178.3	61	0	0	0	0	110.9	S583	S583-S586 WeakPolarHBondContact CB-OG 3.31Å; S583-S586 PolarHBondContact N-OG 3.45Å; S583-S586 VanDerWaalsContact N-OG 3.16Å; S583-S586 PolarHBondContact O-N 2.59Å; S583-S586 PolarHBondContact O-OG 3.28Å; S583-S586 VanDerWaalsContact O-OG 3.12Å
587	D	84.3	Confident	85.3	Confident	151 Å²	151	44.6 Å²	44.6	81%	0.807	23%	0.231	S	C	*	.	P	Polyproline II helix	trans	-57.2	136.5	168.8	-62.8	-34.7	0	0	0	110.4
588	P	88.7	Confident	84.1	Confident	47 Å²	47	45.5 Å²	45.5	31%	0.305	24%	0.237	S	C	.	.	P	Polyproline II helix	trans	-65.9	139.6	178.5	28.4	-33.9	0	0	0	110.4	Y527 W579 N580 R581	Y527-P588 HydrophobicContact CE1-CB 4.32Å; Y527-P588 WeakPolarHBondContact OH-CB 3.42Å; Y527-P588 WeakPolarHBondContact OH-CG 3.34Å; W579-P588 HydrophobicContact CB-CB 4.48Å; W579-P588 HydrophobicContact CE3-CB 3.99Å; W579-P588 HydrophobicContact CE3-CG 4.11Å; W579-P588 HydrophobicContact CZ3-CG 4.47Å; N580-P588 CarbonylContact O-C 3.53Å; N580-P588 WeakPolarHBondContact O-CA 3.46Å; R581-P588 HydrophobicContact CB-CB 4.4Å
589	E	87.1	Confident	82.6	Confident	20 Å²	20	50.4 Å²	50.4	9%	0.093	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	127.9	173.2	177.7	-168.8	177	0	0	109.4	S517 H518 W579 N580 L591	S517-E589 PolarHBondContact OG-OE1 3.24Å; S517-E589 VanDerWaalsContact OG-OE1 3.11Å; S517-E589 PolarHBondContact OG-OE2 2.83Å; H518-E589 IonicContact CE1-OE1 2.94Å; H518-E589 PolarHBondContact CE1-OE1 3Å; H518-E589 IonicContact CG-OE1 2.64Å; H518-E589 PolarHBondContact N-OE1 3.11Å; H518-E589 VanDerWaalsContact N-OE1 3.09Å; H518-E589 IonicContact ND1-OE1 2.68Å; H518-E589 PolarHBondContact ND1-OE1 3.12Å; W579-E589 CarbonylContact C-O 3.55Å; W579-E589 WeakPolarHBondContact CA-O 3.4Å; N580-E589 HydrophobicContact CB-CB 4.28Å; N580-E589 PolarHBondContact N-O 2.83Å; N580-E589 PolarHBondContact ND2-OE2 3.11Å; N580-E589 PolarHBondContact O-N 2.8Å; E589-L591 HydrophobicContact CG-CD2 4.41Å; E589-L591 PolarHBondContact O-N 3.43Å
590	L	88.3	Confident	80.6	Confident	20 Å²	20	56.1 Å²	56.1	11%	0.105	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	121.6	171.2	-176.6	64.6	0	0	0	109.6	F577 W579 I593 Y619 P651	F577-L590 HydrophobicContact CB-CD1 4.04Å; F577-L590 HydrophobicContact CD1-CD1 4Å; W579-L590 HydrophobicContact CD2-CD1 4.08Å; W579-L590 HydrophobicContact CE3-CB 3.96Å; W579-L590 HydrophobicContact CE3-CD1 4.09Å; W579-L590 HydrophobicContact CH2-CB 4.23Å; W579-L590 HydrophobicContact CH2-CD1 4.02Å; W579-L590 HydrophobicContact CZ2-CD1 3.99Å; W579-L590 HydrophobicContact CZ3-CB 3.67Å; W579-L590 HydrophobicContact CZ3-CD1 4.07Å; W579-L590 HydrophobicContact CZ3-CG 4.4Å; L590-I593 HydrophobicContact CD1-CG1 4.27Å; L590-I593 HydrophobicContact CD2-CD1 3.92Å; L590-I593 HydrophobicContact CD2-CG1 3.92Å; L590-I593 HydrophobicContact CG-CG1 4.47Å; L590-Y619 HydrophobicContact CD2-CD1 4.48Å; L590-Y619 HydrophobicContact CD2-CE1 3.6Å; L590-P651 HydrophobicContact CD2-CB 3.9Å; L590-P651 HydrophobicContact CD2-CG 4.43Å; L590-P651 HydrophobicContact CG-CB 4.35Å; L590-P651 HydrophobicContact CG-CG 4.35Å; L590-P651 WeakPolarHBondContact O-CG 3.19Å
591	L	84.4	Confident	78.5	Confident	16 Å²	16	61.6 Å²	61.6	8%	0.084	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	-32.9	175.5	-56.4	-176	0	0	0	111.6	L515 I524 I578 N580 E589 P651	L515-L591 HydrophobicContact CB-CD1 4.37Å; L515-L591 HydrophobicContact CD1-CD1 4.39Å; I524-L591 HydrophobicContact CD1-CD1 4.12Å; I524-L591 HydrophobicContact CG2-CD1 3.61Å; I578-L591 HydrophobicContact CB-CB 4.4Å; I578-L591 HydrophobicContact CG2-CB 4.22Å; I578-L591 HydrophobicContact CG2-CD1 4Å; I578-L591 WeakPolarHBondContact O-CB 3.24Å; I578-L591 PolarHBondContact O-N 2.86Å; N580-L591 HydrophobicContact CB-CD1 4.01Å; N580-L591 HydrophobicContact CB-CD2 3.63Å; N580-L591 HydrophobicContact CB-CG 3.86Å; E589-L591 HydrophobicContact CG-CD2 4.41Å; E589-L591 PolarHBondContact O-N 3.43Å; L591-P651 WeakPolarHBondContact O-CD 3.36Å
592	G	85.6	Confident	75.8	Confident	0 Å²	0	65.9 Å²	65.9	0%	0	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	168.7	178.2	175.6	0	0	0	0	0	114.2	I578 T649	I578-G592 PolarHBondContact N-O 2.87Å; I578-G592 PolarHBondContact O-N 2.9Å; G592-T649 CarbonylContact C-O 3.58Å; G592-T649 WeakPolarHBondContact CA-O 3.44Å
593	I	88.1	Confident	73.5	Confident	23 Å²	23	69.2 Å²	69.2	12%	0.118	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	145.1	-171.6	-50.8	175.1	0	0	0	109.7	I576 F577 L590 T649	I576-I593 CarbonylContact O-C 3.59Å; I576-I593 VanDerWaalsContact O-CA 3.28Å; I576-I593 WeakPolarHBondContact O-CA 3.46Å; F577-I593 HydrophobicContact CD1-CD1 4.02Å; F577-I593 HydrophobicContact CD1-CG1 3.79Å; F577-I593 HydrophobicContact CD1-CG2 4.33Å; F577-I593 HydrophobicContact CE1-CD1 3.79Å; F577-I593 HydrophobicContact CE1-CG1 4.05Å; F577-I593 HydrophobicContact CE1-CG2 4.24Å; L590-I593 HydrophobicContact CD1-CG1 4.27Å; L590-I593 HydrophobicContact CD2-CD1 3.92Å; L590-I593 HydrophobicContact CD2-CG1 3.92Å; L590-I593 HydrophobicContact CG-CG1 4.47Å; I593-T649 PolarHBondContact N-O 2.77Å; I593-T649 PolarHBondContact O-N 2.88Å
594	V	88.5	Confident	71	Confident	3 Å²	3	69.2 Å²	69.2	2%	0.018	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	132.4	164.8	179.2	0	0	0	0	108.4	I476 K575 I576 I596 L646 I648	I476-V594 HydrophobicContact CG2-CG2 3.82Å; K575-V594 CarbonylContact C-O 3.59Å; K575-V594 WeakPolarHBondContact CA-O 3.24Å; I576-V594 HydrophobicContact CB-CB 4.23Å; I576-V594 PolarHBondContact N-O 2.77Å; I576-V594 PolarHBondContact O-N 2.93Å; V594-I596 HydrophobicContact CG1-CG1 4.19Å; V594-L646 HydrophobicContact CG1-CB 3.87Å; V594-L646 HydrophobicContact CG1-CD1 3.55Å; V594-L646 HydrophobicContact CG1-CG 4.3Å; V594-L646 HydrophobicContact CG2-CB 4.45Å; V594-I648 HydrophobicContact CG2-CB 4.45Å; V594-I648 HydrophobicContact CG2-CG1 4.03Å
595	Q	87.5	Confident	68.8	Low	25 Å²	25	71.9 Å²	71.9	12%	0.117	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	132.2	174.7	-175.5	176	-44.6	0	0	110	M574 K575 V624	M574-Q595 WeakPolarHBondContact O-CA 3.48Å; K575-Q595 HydrophobicContact CG-CB 4.36Å; K575-Q595 HydrophobicContact CG-CG 4.03Å; Q595-V624 HydrophobicContact CB-CB 4.31Å; Q595-V624 HydrophobicContact CB-CG1 3.37Å
596	I	87.1	Confident	66.7	Low	0 Å²	0	69.8 Å²	69.8	0%	0	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	117.7	179.4	-47.8	-171.9	0	0	0	106.8	M574 I576 V594 L630 W631 L646	M574-I596 HydrophobicContact CB-CB 4.49Å; M574-I596 HydrophobicContact CE-CB 4.16Å; M574-I596 HydrophobicContact CE-CD1 3.47Å; M574-I596 VanDerWaalsContact CE-CD1 3.47Å; M574-I596 HydrophobicContact CE-CG1 4.07Å; M574-I596 PolarHBondContact N-O 2.92Å; M574-I596 PolarHBondContact O-N 3.13Å; I576-I596 HydrophobicContact CD1-CD1 4.29Å; V594-I596 HydrophobicContact CG1-CG1 4.19Å; I596-L630 HydrophobicContact CD1-CD2 4.19Å; I596-L630 HydrophobicContact CG2-CD2 4.32Å; I596-W631 HydrophobicContact CB-CE3 4.19Å; I596-W631 HydrophobicContact CG2-CB 3.78Å; I596-W631 HydrophobicContact CG2-CD2 4.01Å; I596-W631 HydrophobicContact CG2-CE3 3.49Å; I596-W631 VanDerWaalsContact CG2-CE3 3.49Å; I596-W631 HydrophobicContact CG2-CG 4.18Å; I596-W631 HydrophobicContact CG2-CZ3 4.4Å; I596-L646 HydrophobicContact CD1-CD1 3.36Å; I596-L646 HydrophobicContact CG1-CD1 4Å
597	S	80.3	Confident	64.1	Low	2 Å²	2	73.6 Å²	73.6	1%	0.014	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.3	151.1	-179.5	58.5	0	0	0	0	109.7
598	N	67.5	Low	61.5	Low	43 Å²	43	72 Å²	72	23%	0.23	39%	0.39	C	S	.	.	S	Bend	trans	-76.4	-34.8	175.3	-159	11.8	0	0	0	112.3	I570 E600 E632	I570-N598 VanDerWaalsContact O-CB 3.23Å; I570-N598 WeakPolarHBondContact O-CB 3.26Å; I570-N598 PolarHBondContact O-ND2 3.23Å; N598-E600 PolarHBondContact O-N 2.91Å; N598-E632 WeakPolarHBondContact OD1-CG 3.44Å
599	K	62.8	Low	58.6	Low	103 Å²	103	75.7 Å²	75.7	45%	0.448	41%	0.411	S	S	.	.	S	Bend	trans	-75.8	119.4	-176.1	-64.9	-179.6	-177.8	170	0	110.1	E571 E601	E571-K599 IonicContact OE2-NZ 3.78Å; E571-K599 PolarHBondContact OE2-NZ 3.37Å; K599-E601 HydrophobicContact CB-CG 4.4Å; K599-E601 PolarHBondContact O-N 2.83Å
600	E	50.6	Low	55.6	Low	163 Å²	163	82 Å²	82	76%	0.762	45%	0.446	S	S	*	.			trans	-65.5	75.4	157.9	-69.3	-173	168.1	0	0	108.3	N598 E602 T628	N598-E600 PolarHBondContact O-N 2.91Å; E600-E602 PolarHBondContact O-N 2.88Å; E600-T628 HydrophobicContact CG-CG2 4.41Å
601	E	45.5	Very low	52.8	Low	117 Å²	117	88.1 Å²	88.1	55%	0.547	48%	0.479	S	S	.	.			trans	-63.5	112.6	167.7	-73.9	-178.9	165.3	0	0	107.6	K599 S603 K626	K599-E601 HydrophobicContact CB-CG 4.4Å; K599-E601 PolarHBondContact O-N 2.83Å; E601-S603 PolarHBondContact O-N 2.83Å; E601-K626 PolarHBondContact O-NZ 3.15Å
602	E	33.5	Very low	50	Low	182 Å²	182	95.3 Å²	95.3	85%	0.85	52%	0.517	S	S	*	.			trans	-43.6	135.4	166.1	-74.1	-178.8	148.5	0	0	108.6	E600 G604	E600-E602 PolarHBondContact O-N 2.88Å; E602-G604 PolarHBondContact O-N 2.85Å
603	S	29.6	Very low	47.3	Very low	133 Å²	133	99.3 Å²	99.3	93%	0.93	55%	0.545	S	S	*	.	S	Bend	trans	-62	78.6	169.4	56.6	0	0	0	0	109.4	E601	E601-S603 PolarHBondContact O-N 2.83Å
604	G	25.4	Very low	44.5	Very low	49 Å²	49	105 Å²	105	51%	0.505	58%	0.581	S	S	.	*			trans	-124.6	115.5	-178.4	0	0	0	0	0	108.5	E602 I606	E602-G604 PolarHBondContact O-N 2.85Å; G604-I606 PolarHBondContact O-N 2.9Å
605	L	27.2	Very low	41.8	Very low	171 Å²	171	111.9 Å²	111.9	90%	0.895	62%	0.618	S	S	*	*			trans	-49.5	101.1	166.9	-70.6	154.6	0	0	0	109.6
606	I	29.8	Very low	39.2	Very low	153 Å²	153	114 Å²	114	79%	0.785	64%	0.639	S	S	*	*			trans	-100.8	84.6	161.7	42.7	166.5	0	0	0	108.6	G604 T608	G604-I606 PolarHBondContact O-N 2.9Å; I606-T608 PolarHBondContact O-N 3.03Å
607	D	24.7	Very low	36.5	Very low	124 Å²	124	121.8 Å²	121.8	66%	0.663	68%	0.681	S	S	*	*			trans	-61.3	109.6	146	-78	-34.8	0	0	0	107
608	T	28.5	Very low	34.3	Very low	118 Å²	118	126.9 Å²	126.9	72%	0.724	71%	0.712	S	S	*	*			trans	-179	106.7	147.1	28.7	0	0	0	0	109.7	I606	I606-T608 PolarHBondContact O-N 3.03Å
609	V	28.1	Very low	32.7	Very low	124 Å²	124	130.5 Å²	130.5	75%	0.752	72%	0.723	S	S	*	*				108.4	110.8	97.7	168.3	0	0	0	0	110.4
610	N	24.2	Very low	31	Very low	154 Å²	154	132.2 Å²	132.2	82%	0.824	73%	0.733	S	S	*	*			trans	35.2	100.3	150.2	-65.8	-10.2	0	0	0	118
611	D	29.7	Very low	29.9	Very low	147 Å²	147	127.1 Å²	127.1	79%	0.786	72%	0.723	S	S	*	*				-145.4	141.4	126.2	-136	-18.6	0	0	0	113	S613	D611-S613 PolarHBondContact O-N 3.43Å
612	N	26.1	Very low	29.2	Very low	167 Å²	167	123.3 Å²	123.3	89%	0.893	71%	0.71	S	S	*	*			trans	-73.6	85.5	-171.2	-71.1	-46.7	0	0	0	110.5
613	S	28.9	Very low	29.1	Very low	85 Å²	85	119.6 Å²	119.6	59%	0.594	70%	0.699	S	S	*	*			trans	-126	121.8	158.4	69.6	0	0	0	0	109.9	D611 N615	D611-S613 PolarHBondContact O-N 3.43Å; S613-N615 PolarHBondContact O-N 3.49Å
614	V	29.4	Very low	29.8	Very low	142 Å²	142	115 Å²	115	86%	0.861	67%	0.666	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.1	82.6	177.9	-177.6	0	0	0	0	107.4
615	N	32.8	Very low	30.6	Very low	148 Å²	148	117.5 Å²	117.5	79%	0.791	67%	0.666	S	S	*	*	T	Hydrogen-bonded Turn	trans	177.6	-3.6	162.7	-89.1	-17.6	0	0	0	114.2	S613 N617	S613-N615 PolarHBondContact O-N 3.49Å; N615-N617 PolarHBondContact O-N 2.75Å
616	A	32.5	Very low	31.9	Very low	68 Å²	68	113.1 Å²	113.1	56%	0.562	64%	0.639	S	S	*	*			trans	-80.3	-3.2	-170.8	0	0	0	0	0	116.9
617	N	29.4	Very low	33.2	Very low	165 Å²	165	106.9 Å²	106.9	88%	0.882	61%	0.61	S	S	*	*	S	Bend	trans	-96.4	15.1	-164.9	-75.5	-7.7	0	0	0	117.1	N615	N615-N617 PolarHBondContact O-N 2.75Å
618	V	33.8	Very low	35	Very low	109 Å²	109	102.6 Å²	102.6	66%	0.661	59%	0.588	S	S	*	*	S	Bend	trans	-118.5	-9.7	-174.5	-174.4	0	0	0	0	114.6
619	Y	35.2	Very low	37.2	Very low	119 Å²	119	100.4 Å²	100.4	47%	0.467	58%	0.577	S	S	.	*			trans	-119.9	75	-168.5	-51.2	-71.8	0	0	0	112.6	L590	L590-Y619 HydrophobicContact CD2-CD1 4.48Å; L590-Y619 HydrophobicContact CD2-CE1 3.6Å
620	Q	27.2	Very low	39.8	Very low	139 Å²	139	95 Å²	95	65%	0.65	54%	0.544	S	S	*	.			trans	-124.1	97	166.9	-78.1	-175.1	-15.1	0	0	109.6	K654	Q620-K654 VanDerWaalsContact O-CE 3.27Å; Q620-K654 WeakPolarHBondContact O-CE 2.92Å; Q620-K654 PolarHBondContact O-NZ 2.59Å
621	G	26.5	Very low	42.7	Very low	55 Å²	55	87.7 Å²	87.7	57%	0.567	51%	0.505	S	S	*	.			trans	149.5	-3.3	158.2	0	0	0	0	0	119.5	N652	G621-N652 PolarHBondContact O-ND2 2.76Å
622	S	30.8	Very low	45.3	Very low	38 Å²	38	85 Å²	85	27%	0.266	49%	0.488	S	S	.	.			trans	-79.7	125.1	-179	-75.4	0	0	0	0	112.3	V624 A650 N652	S622-V624 VanDerWaalsContact C-N 3.35Å; S622-V624 WeakPolarHBondContact O-CG2 3.17Å; S622-V624 PolarHBondContact O-N 3.12Å; S622-A650 PolarHBondContact OG-O 3.31Å; S622-N652 WeakPolarHBondContact CA-ND2 3.21Å; S622-N652 PolarHBondContact N-ND2 3.16Å; S622-N652 VanDerWaalsContact OG-CB 3.29Å; S622-N652 WeakPolarHBondContact OG-CB 3.48Å; S622-N652 PolarHBondContact OG-N 2.88Å
623	T	31.8	Very low	48.1	Very low	103 Å²	103	79.1 Å²	79.1	63%	0.632	46%	0.459	S	S	*	.			trans	-65.3	92.8	165.6	0.4	0	0	0	0	108.4	M625 T649	T623-M625 PolarHBondContact O-N 2.88Å; T623-T649 WeakPolarHBondContact O-CG2 3.28Å
624	V	43.1	Very low	50.9	Low	38 Å²	38	75.2 Å²	75.2	23%	0.23	43%	0.432	C	S	.	.			trans	-74	124.4	178.7	-168.4	0	0	0	0	108.7	Q595 S622 K626	Q595-V624 HydrophobicContact CB-CB 4.31Å; Q595-V624 HydrophobicContact CB-CG1 3.37Å; S622-V624 VanDerWaalsContact C-N 3.35Å; S622-V624 WeakPolarHBondContact O-CG2 3.17Å; S622-V624 PolarHBondContact O-N 3.12Å; V624-K626 PolarHBondContact O-N 2.89Å; V624-K626 VanDerWaalsContact O-N 3.14Å
625	M	44.1	Very low	53.5	Low	101 Å²	101	69.3 Å²	69.3	50%	0.498	40%	0.396	S	S	.	.			trans	-71.9	108.5	174.4	-124.6	-159.8	145.5	0	0	108.4	T623	T623-M625 PolarHBondContact O-N 2.88Å
626	K	52.5	Low	56	Low	78 Å²	78	66 Å²	66	34%	0.339	39%	0.385	S	S	.	.	B	Isolated β-bridge	trans	-81.2	130.6	-179.4	-60.3	179.4	-177.7	-175.7	0	109.5	E601 V624	E601-K626 PolarHBondContact O-NZ 3.15Å; V624-K626 PolarHBondContact O-N 2.89Å; V624-K626 VanDerWaalsContact O-N 3.14Å
627	S	57.6	Low	58.5	Low	23 Å²	23	68 Å²	68	16%	0.161	38%	0.381	C	S	.	.			trans	-107.7	81.9	169.3	-175.4	0	0	0	0	109.1	S629	S627-S629 VanDerWaalsContact C-N 3.34Å
628	T	62.9	Low	61.1	Low	34 Å²	34	62 Å²	62	21%	0.209	35%	0.351	C	S	.	.	H	α-helix	trans	-62	-42.7	177.3	46.2	0	0	0	0	111.3	E600 L630 W631 E632	E600-T628 HydrophobicContact CG-CG2 4.41Å; T628-L630 VanDerWaalsContact C-N 3.27Å; T628-L630 PolarHBondContact O-N 3.32Å; T628-L630 VanDerWaalsContact O-N 3.16Å; T628-W631 PolarHBondContact O-N 2.88Å; T628-W631 VanDerWaalsContact O-N 3.14Å; T628-E632 WeakPolarHBondContact O-CG 3.12Å; T628-E632 PolarHBondContact O-N 3.35Å
629	S	75.6	Confident	63.6	Low	72 Å²	72	58 Å²	58	50%	0.503	33%	0.331	S	S	.	.	H	α-helix	trans	-58.6	-33.2	-177.1	61.8	0	0	0	0	114.7	S627 S633	S627-S629 VanDerWaalsContact C-N 3.34Å; S629-S633 WeakPolarHBondContact O-CB 3.2Å; S629-S633 PolarHBondContact O-N 2.76Å; S629-S633 VanDerWaalsContact O-N 3.11Å; S629-S633 PolarHBondContact O-OG 3.27Å
630	L	81.8	Confident	66.1	Low	9 Å²	9	57.4 Å²	57.4	5%	0.047	33%	0.333	C	S	.	.	H	α-helix	trans	-72.3	-42.5	-179.7	-170.7	149.6	0	0	0	110.9	L478 L480 I596 T628 S633 V634 I642 L646	L478-L630 HydrophobicContact CD1-CD1 4.38Å; L480-L630 HydrophobicContact CB-CD2 4.44Å; L480-L630 HydrophobicContact CD1-CD2 3.26Å; L480-L630 HydrophobicContact CG-CD2 3.83Å; I596-L630 HydrophobicContact CD1-CD2 4.19Å; I596-L630 HydrophobicContact CG2-CD2 4.32Å; T628-L630 VanDerWaalsContact C-N 3.27Å; T628-L630 PolarHBondContact O-N 3.32Å; T628-L630 VanDerWaalsContact O-N 3.16Å; L630-S633 PolarHBondContact O-N 2.9Å; L630-V634 HydrophobicContact CD2-CG2 4.38Å; L630-V634 WeakPolarHBondContact O-CG2 3.21Å; L630-V634 PolarHBondContact O-N 2.88Å; L630-I642 HydrophobicContact CG-CG2 4.27Å; L630-L646 HydrophobicContact CD1-CD2 4.48Å
631	W	85.3	Confident	69.2	Low	2 Å²	2	55.1 Å²	55.1	1%	0.008	32%	0.319	C	S	.	.	H	α-helix	trans	-68.6	-44.6	180	-155.4	-104.9	0	0	0	111.7	L480 L505 L532 L569 M574 I596 T628 S633 V634 T635	L480-W631 HydrophobicContact CD1-CE3 3.94Å; L480-W631 HydrophobicContact CD1-CZ3 3.84Å; L505-W631 HydrophobicContact CD2-CH2 3.93Å; L532-W631 HydrophobicContact CD1-CH2 3.94Å; L532-W631 HydrophobicContact CD1-CZ2 4.31Å; L569-W631 HydrophobicContact CD2-CZ2 4.39Å; L569-W631 PolarHBondContact O-NE1 2.91Å; M574-W631 HydrophobicContact CB-CH2 3.79Å; M574-W631 HydrophobicContact CB-CZ3 3.74Å; M574-W631 HydrophobicContact CE-CE3 4.43Å; M574-W631 HydrophobicContact CE-CZ3 3.76Å; M574-W631 HydrophobicContact CG-CZ3 4.46Å; M574-W631 HydrophobicContact SD-CH2 4.37Å; M574-W631 HydrophobicContact SD-CZ3 3.96Å; I596-W631 HydrophobicContact CB-CE3 4.19Å; I596-W631 HydrophobicContact CG2-CB 3.78Å; I596-W631 HydrophobicContact CG2-CD2 4.01Å; I596-W631 HydrophobicContact CG2-CE3 3.49Å; I596-W631 VanDerWaalsContact CG2-CE3 3.49Å; I596-W631 HydrophobicContact CG2-CG 4.18Å; I596-W631 HydrophobicContact CG2-CZ3 4.4Å; T628-W631 PolarHBondContact O-N 2.88Å; T628-W631 VanDerWaalsContact O-N 3.14Å; W631-S633 VanDerWaalsContact C-N 3.25Å; W631-S633 PolarHBondContact O-N 2.77Å; W631-V634 PolarHBondContact O-N 3.29Å; W631-V634 VanDerWaalsContact O-N 3.1Å; W631-T635 PolarHBondContact O-N 2.77Å; W631-T635 PolarHBondContact O-OG1 3.22Å
632	E	83.7	Confident	72.3	Confident	91 Å²	91	53.9 Å²	53.9	43%	0.425	30%	0.299	S	S	.	.	H	α-helix	trans	-57.3	-38.7	173.6	-71.1	170.4	-170	0	0	112	N598 T628 V634 T635 S636	N598-E632 WeakPolarHBondContact OD1-CG 3.44Å; T628-E632 WeakPolarHBondContact O-CG 3.12Å; T628-E632 PolarHBondContact O-N 3.35Å; E632-V634 VanDerWaalsContact C-N 3.35Å; E632-T635 PolarHBondContact O-N 3.4Å; E632-T635 PolarHBondContact O-OG1 3.42Å; E632-S636 VanDerWaalsContact O-CB 3.23Å; E632-S636 WeakPolarHBondContact O-CB 3.31Å; E632-S636 PolarHBondContact O-N 2.87Å; E632-S636 PolarHBondContact O-OG 3.2Å
633	S	84.9	Confident	75.2	Confident	42 Å²	42	57.1 Å²	57.1	29%	0.294	31%	0.31	S	S	.	.	H	α-helix	trans	-66.8	-36.3	177.2	-63.7	0	0	0	0	112.4	S629 L630 W631 S636 K637	S629-S633 WeakPolarHBondContact O-CB 3.2Å; S629-S633 PolarHBondContact O-N 2.76Å; S629-S633 VanDerWaalsContact O-N 3.11Å; S629-S633 PolarHBondContact O-OG 3.27Å; L630-S633 PolarHBondContact O-N 2.9Å; W631-S633 VanDerWaalsContact C-N 3.25Å; W631-S633 PolarHBondContact O-N 2.77Å; S633-S636 WeakPolarHBondContact CA-OG 3.27Å; S633-S636 PolarHBondContact O-OG 3.3Å; S633-K637 PolarHBondContact O-N 3.23Å
634	V	87.1	Confident	77.8	Confident	3 Å²	3	52.7 Å²	52.7	2%	0.018	28%	0.284	C	S	.	.	H	α-helix	trans	-71.4	-39.8	178.5	173.2	0	0	0	0	111.2	L480 F482 L505 L630 W631 E632 I642	L480-V634 HydrophobicContact CB-CG1 4.46Å; L480-V634 HydrophobicContact CB-CG2 3.45Å; L480-V634 VanDerWaalsContact CB-CG2 3.45Å; L480-V634 HydrophobicContact CD1-CG2 4.11Å; L480-V634 HydrophobicContact CG-CG2 4.36Å; F482-V634 HydrophobicContact CB-CG1 4.2Å; L505-V634 HydrophobicContact CD1-CG1 4.2Å; L630-V634 HydrophobicContact CD2-CG2 4.38Å; L630-V634 WeakPolarHBondContact O-CG2 3.21Å; L630-V634 PolarHBondContact O-N 2.88Å; W631-V634 PolarHBondContact O-N 3.29Å; W631-V634 VanDerWaalsContact O-N 3.1Å; E632-V634 VanDerWaalsContact C-N 3.35Å; V634-I642 HydrophobicContact CG2-CB 3.92Å; V634-I642 HydrophobicContact CG2-CG1 3.89Å; V634-I642 HydrophobicContact CG2-CG2 4.49Å
635	T	85.3	Confident	79.9	Confident	19 Å²	19	55.1 Å²	55.1	12%	0.117	30%	0.295	C	S	.	.	H	α-helix	trans	-76.5	-32.4	179.9	55.1	0	0	0	0	112.5	L566 I570 W631 E632	L566-T635 HydrophobicContact CD1-CG2 4.19Å; I570-T635 HydrophobicContact CG1-CG2 3.83Å; W631-T635 PolarHBondContact O-N 2.77Å; W631-T635 PolarHBondContact O-OG1 3.22Å; E632-T635 PolarHBondContact O-N 3.4Å; E632-T635 PolarHBondContact O-OG1 3.42Å
636	S	84.4	Confident	81.9	Confident	79 Å²	79	51 Å²	51	55%	0.552	28%	0.275	S	S	*	.	H	α-helix	trans	-77.9	-23.2	177.4	58	0	0	0	0	114.4	E632 S633 P638	E632-S636 VanDerWaalsContact O-CB 3.23Å; E632-S636 WeakPolarHBondContact O-CB 3.31Å; E632-S636 PolarHBondContact O-N 2.87Å; E632-S636 PolarHBondContact O-OG 3.2Å; S633-S636 WeakPolarHBondContact CA-OG 3.27Å; S633-S636 PolarHBondContact O-OG 3.3Å; S636-P638 WeakPolarHBondContact O-CD 3.22Å
637	K	84.8	Confident	83.4	Confident	109 Å²	109	48.9 Å²	48.9	47%	0.474	27%	0.268	S	S	.	.	S	Bend	trans	-126.8	69.4	-177.7	-59	-171.7	-176.4	-177.1	0	112	S633 G639 E640	S633-K637 PolarHBondContact O-N 3.23Å; K637-G639 PolarHBondContact O-N 3.26Å; K637-E640 HydrophobicContact CB-CB 4.28Å; K637-E640 HydrophobicContact CB-CG 4.44Å; K637-E640 VanDerWaalsContact CD-OE2 3.28Å; K637-E640 WeakPolarHBondContact CD-OE2 3.39Å; K637-E640 PolarHBondContact O-N 3.39Å
638	P	85.5	Confident	84.6	Confident	38 Å²	38	48.3 Å²	48.3	25%	0.247	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.5	135.3	176.5	26.9	-35.1	0	0	0	110.7	F482 I484 L492 L501 S636	F482-P638 HydrophobicContact CD1-CB 4.06Å; F482-P638 CarbonylContact O-C 3.6Å; I484-P638 HydrophobicContact CD1-CB 4.09Å; I484-P638 HydrophobicContact CD1-CG 4.36Å; I484-P638 HydrophobicContact CG1-CB 4.4Å; I484-P638 HydrophobicContact CG2-CB 4.33Å; L492-P638 HydrophobicContact CD1-CG 4.42Å; L501-P638 HydrophobicContact CD1-CB 4.3Å; L501-P638 HydrophobicContact CD1-CG 4.04Å; S636-P638 WeakPolarHBondContact O-CD 3.22Å
639	G	84.7	Confident	85.1	Confident	25 Å²	25	48 Å²	48	26%	0.258	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	92.7	-17	-179.5	0	0	0	0	0	115.5	R481 F482 K637	R481-G639 VanDerWaalsContact CD-O 3.3Å; R481-G639 WeakPolarHBondContact CD-O 3.35Å; F482-G639 WeakPolarHBondContact O-CA 3.21Å; F482-G639 PolarHBondContact O-N 3.18Å; K637-G639 PolarHBondContact O-N 3.26Å
640	E	87.8	Confident	84.6	Confident	107 Å²	107	47.7 Å²	47.7	50%	0.5	26%	0.262	S	S	.	.	S	Bend	trans	-89.4	149.2	177.1	-67.1	-163.8	166.1	0	0	112.6	R481 K637 I642	R481-E640 WeakPolarHBondContact CA-O 3.19Å; R481-E640 WeakPolarHBondContact CB-O 3.48Å; R481-E640 WeakPolarHBondContact CG-O 3.23Å; K637-E640 HydrophobicContact CB-CB 4.28Å; K637-E640 HydrophobicContact CB-CG 4.44Å; K637-E640 VanDerWaalsContact CD-OE2 3.28Å; K637-E640 WeakPolarHBondContact CD-OE2 3.39Å; K637-E640 PolarHBondContact O-N 3.39Å; E640-I642 HydrophobicContact CB-CD1 4.48Å
641	W	92.6	Very high	83.5	Confident	92 Å²	92	48.6 Å²	48.6	35%	0.348	27%	0.269	S	S	.	.			trans	-85.6	120.2	170.7	-76.8	106	0	0	0	110.3	A479 R481 D506 W508 L558	A479-W641 HydrophobicContact CB-CE3 3.77Å; A479-W641 HydrophobicContact CB-CZ3 4.21Å; R481-W641 HydrophobicContact CB-CD2 3.69Å; R481-W641 HydrophobicContact CB-CE3 3.55Å; R481-W641 HydrophobicContact CB-CG 4.26Å; R481-W641 HydrophobicContact CB-CH2 4.24Å; R481-W641 HydrophobicContact CB-CZ2 4.34Å; R481-W641 HydrophobicContact CB-CZ3 3.84Å; R481-W641 HydrophobicContact CG-CD2 4.44Å; D506-W641 HydrophobicContact CB-CH2 3.65Å; D506-W641 HydrophobicContact CB-CZ2 4.4Å; D506-W641 HydrophobicContact CB-CZ3 4.1Å; W508-W641 HydrophobicContact CB-CH2 4.16Å; W508-W641 HydrophobicContact CB-CZ3 3.87Å; W508-W641 HydrophobicContact CE3-CH2 4.39Å; W508-W641 HydrophobicContact CE3-CZ3 4.4Å; L558-W641 HydrophobicContact CD1-CH2 3.79Å
642	I	92.2	Very high	81.5	Confident	28 Å²	28	53 Å²	53	14%	0.144	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	111.4	174.7	-52.5	-56.3	0	0	0	108.5	A479 L480 L630 V634 E640	A479-I642 CarbonylContact C-O 3.56Å; A479-I642 VanDerWaalsContact CA-O 3.24Å; A479-I642 WeakPolarHBondContact CA-O 3.48Å; L480-I642 PolarHBondContact N-O 2.78Å; L480-I642 PolarHBondContact O-N 3.14Å; L630-I642 HydrophobicContact CG-CG2 4.27Å; V634-I642 HydrophobicContact CG2-CB 3.92Å; V634-I642 HydrophobicContact CG2-CG1 3.89Å; V634-I642 HydrophobicContact CG2-CG2 4.49Å; E640-I642 HydrophobicContact CB-CD1 4.48Å
643	E	91.7	Very high	79	Confident	107 Å²	107	55 Å²	55	50%	0.5	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	139.9	174.9	-62.4	-154.8	163.9	0	0	111.9	K477 A479 K510	K477-E643 WeakPolarHBondContact CE-OE2 3.18Å; K477-E643 IonicContact NZ-OE2 2.84Å; K477-E643 PolarHBondContact NZ-OE2 3.23Å; A479-E643 HydrophobicContact CB-CG 4.06Å; K510-E643 IonicContact NZ-OE1 3.28Å; K510-E643 PolarHBondContact NZ-OE1 3.35Å
644	G	86.9	Confident	76.1	Confident	9 Å²	9	63.7 Å²	63.7	9%	0.093	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	144.1	174	0	0	0	0	0	112.9	K477 L478	K477-G644 WeakPolarHBondContact CA-O 3.34Å; L478-G644 PolarHBondContact N-O 2.87Å; L478-G644 PolarHBondContact O-N 3.31Å
645	L	87.2	Confident	75.6	Confident	89 Å²	89	66.8 Å²	66.8	47%	0.466	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	111.5	164.9	-177.8	68	0	0	0	107.8	Q475 K477	Q475-L645 HydrophobicContact CB-CD1 4.03Å; K477-L645 HydrophobicContact CB-CD1 4.08Å
646	L	86.4	Confident	75.1	Confident	15 Å²	15	69.3 Å²	69.3	8%	0.079	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	139.9	-171.1	-57	175.1	0	0	0	110.1	Q475 I476 L478 V594 I596 L630	Q475-L646 CarbonylContact C-O 3.54Å; Q475-L646 VanDerWaalsContact CA-O 3.28Å; Q475-L646 WeakPolarHBondContact CA-O 2.88Å; I476-L646 HydrophobicContact CG2-CB 4.05Å; I476-L646 PolarHBondContact N-O 3.4Å; I476-L646 PolarHBondContact O-N 2.89Å; L478-L646 HydrophobicContact CD2-CD1 4.04Å; V594-L646 HydrophobicContact CG1-CB 3.87Å; V594-L646 HydrophobicContact CG1-CD1 3.55Å; V594-L646 HydrophobicContact CG1-CG 4.3Å; V594-L646 HydrophobicContact CG2-CB 4.45Å; I596-L646 HydrophobicContact CD1-CD1 3.36Å; I596-L646 HydrophobicContact CG1-CD1 4Å; L630-L646 HydrophobicContact CD1-CD2 4.48Å
647	N	82.4	Confident	74.6	Confident	34 Å²	34	68.7 Å²	68.7	18%	0.182	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	135.7	172.4	-65.5	-28.9	0	0	0	109.2	Q475	Q475-N647 WeakPolarHBondContact CG-OD1 3.31Å; Q475-N647 PolarHBondContact NE2-OD1 2.66Å
648	I	82.9	Confident	74	Confident	11 Å²	11	66.4 Å²	66.4	6%	0.056	35%	0.349	C	S	.	.	P	Polyproline II helix	trans	-85.7	121.7	176.7	-61.4	167.2	0	0	0	107.9	S474 I476 L515 I578 V594	S474-I648 WeakPolarHBondContact O-CB 3.36Å; S474-I648 PolarHBondContact O-N 3.29Å; I476-I648 HydrophobicContact CB-CD1 4.13Å; I476-I648 HydrophobicContact CB-CG1 4.2Å; I476-I648 HydrophobicContact CG2-CG1 4.14Å; L515-I648 HydrophobicContact CD2-CD1 3.43Å; L515-I648 VanDerWaalsContact CD2-CD1 3.43Å; I578-I648 HydrophobicContact CD1-CD1 3.89Å; I578-I648 HydrophobicContact CD1-CG1 3.87Å; I578-I648 HydrophobicContact CD1-CG2 3.91Å; I578-I648 HydrophobicContact CG1-CD1 3.99Å; V594-I648 HydrophobicContact CG2-CB 4.45Å; V594-I648 HydrophobicContact CG2-CG1 4.03Å
649	T	74	Confident	73.2	Confident	28 Å²	28	68.1 Å²	68.1	17%	0.172	36%	0.355	C	S	.	.	B	Isolated β-bridge	trans	-81.1	126.3	173.9	-58.5	0	0	0	0	108.9	G592 I593 T623	G592-T649 CarbonylContact C-O 3.58Å; G592-T649 WeakPolarHBondContact CA-O 3.44Å; I593-T649 PolarHBondContact N-O 2.77Å; I593-T649 PolarHBondContact O-N 2.88Å; T623-T649 WeakPolarHBondContact O-CG2 3.28Å
650	A	64.2	Low	72.5	Confident	64 Å²	64	71 Å²	71	53%	0.529	36%	0.361	S	S	.	.	P	Polyproline II helix	trans	-61.8	145.8	174.4	0	0	0	0	0	110.8	S622 N652	S622-A650 PolarHBondContact OG-O 3.31Å; A650-N652 PolarHBondContact O-N 3.27Å
651	P	58.8	Low	71.4	Confident	29 Å²	29	68.4 Å²	68.4	19%	0.188	35%	0.351	C	S	.	.	P	Polyproline II helix	trans	-65.8	126.3	172	28.6	-30.9	0	0	0	108.3	L590 L591 I653	L590-P651 HydrophobicContact CD2-CB 3.9Å; L590-P651 HydrophobicContact CD2-CG 4.43Å; L590-P651 HydrophobicContact CG-CB 4.35Å; L590-P651 HydrophobicContact CG-CG 4.35Å; L590-P651 WeakPolarHBondContact O-CG 3.19Å; L591-P651 WeakPolarHBondContact O-CD 3.36Å; P651-I653 VanDerWaalsContact C-N 3.33Å; P651-I653 PolarHBondContact O-N 2.72Å
652	N	44.1	Very low	69.8	Low	94 Å²	94	66.6 Å²	66.6	50%	0.503	35%	0.352	S	S	.	.			trans	-65.1	97.6	171.4	-91.3	-11.1	0	0	0	108.3	G621 S622 A650 K654	G621-N652 PolarHBondContact O-ND2 2.76Å; S622-N652 WeakPolarHBondContact CA-ND2 3.21Å; S622-N652 PolarHBondContact N-ND2 3.16Å; S622-N652 VanDerWaalsContact OG-CB 3.29Å; S622-N652 WeakPolarHBondContact OG-CB 3.48Å; S622-N652 PolarHBondContact OG-N 2.88Å; A650-N652 PolarHBondContact O-N 3.27Å; N652-K654 PolarHBondContact O-N 2.92Å; N652-K654 VanDerWaalsContact O-N 3.15Å
653	I	31.3	Very low	67.9	Low	134 Å²	134	69.8 Å²	69.8	69%	0.687	37%	0.369	S	S	*	.			trans	-72.2	102.8	169.6	-55.3	173.1	0	0	0	105.9	P651	P651-I653 VanDerWaalsContact C-N 3.33Å; P651-I653 PolarHBondContact O-N 2.72Å
654	K	24.9	Very low	65.7	Low	224 Å²	224	66.5 Å²	66.5	97%	0.974	36%	0.357	S	S	*	.			trans	-69	0	165.6	-85.1	-177.1	177.8	168.8	0	111.1	Q620 N652	Q620-K654 VanDerWaalsContact O-CE 3.27Å; Q620-K654 WeakPolarHBondContact O-CE 2.92Å; Q620-K654 PolarHBondContact O-NZ 2.59Å; N652-K654 PolarHBondContact O-N 2.92Å; N652-K654 VanDerWaalsContact O-N 3.15Å

Retrieved 654 of 654 residues in 263.9 ms (Link to these results)

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