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DNA replication licensing factor MCM5

Acts as component of the MCM2-7 complex (MCM complex) which is the replicative helicase essential for 'once per cell cycle' DNA replication initiation and elongation in eukaryotic cells. The active ATPase sites in the MCM2-7 ring are formed through the interaction surfaces of two neighboring subunits such that a critical structure of a conserved arginine finger motif is provided in trans relative to the ATP-binding site of the Walker A box of the adjacent subunit. The six ATPase active sites, however, are likely to contribute differentially to the complex helicase activity.

AlphaFold DB , UniProt , Accession G4VDE3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 750 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	38.4	Very low	43.5	Very low	242 Å²	242	118.3 Å²	118.3	100%	1.192	65%	0.653	S	S	*	*				0	96.2	0	-67.7	-163.5	179.9	0	0	107.1
2	S	44.6	Very low	42.9	Very low	101 Å²	101	118.6 Å²	118.6	71%	0.706	67%	0.669	S	S	*	*			trans	-146.3	34.6	-165.7	48.5	0	0	0	0	111.4
3	G	48.9	Very low	42.6	Very low	25 Å²	25	117.9 Å²	117.9	26%	0.258	66%	0.663	S	S	.	*			trans	-120.5	18.1	-166.5	0	0	0	0	0	116.4
4	F	44.6	Very low	43.2	Very low	179 Å²	179	116.9 Å²	116.9	79%	0.785	67%	0.667	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84	-6	-172	-91.3	-82	0	0	0	115.9	Q6	F4-Q6 VanDerWaalsContact C-N 3.34Å
5	D	51.6	Low	43.4	Very low	78 Å²	78	118.7 Å²	118.7	42%	0.417	67%	0.673	S	S	.	*	T	Hydrogen-bonded Turn	trans	-86.4	-5	176.2	-88.1	8.5	0	0	0	113.8
6	Q	47.5	Very low	43.5	Very low	131 Å²	131	120.1 Å²	120.1	61%	0.612	67%	0.67	S	S	*	*	S	Bend	trans	-86.1	119.5	156.9	-70.8	177.2	-16.8	0	0	105.6	F4 A8	F4-Q6 VanDerWaalsContact C-N 3.34Å; Q6-A8 PolarHBondContact O-N 2.7Å
7	G	46.7	Very low	43.7	Very low	87 Å²	87	118.1 Å²	118.1	90%	0.897	65%	0.654	S	S	*	*			trans	-63.4	30.4	176.1	0	0	0	0	0	114.8	V9	G7-V9 PolarHBondContact O-N 3.21Å
8	A	43.9	Very low	44.1	Very low	45 Å²	45	119.3 Å²	119.3	37%	0.372	65%	0.654	S	S	.	*			trans	-81.2	107.4	174.5	0	0	0	0	0	109.5	Q6 Y10	Q6-A8 PolarHBondContact O-N 2.7Å; A8-Y10 WeakPolarHBondContact O-CD2 3.24Å; A8-Y10 PolarHBondContact O-N 2.96Å; A8-Y10 VanDerWaalsContact O-N 3.09Å
9	V	39.6	Very low	44.5	Very low	112 Å²	112	116.6 Å²	116.6	68%	0.679	64%	0.642	S	S	*	*			trans	-61.7	108.5	161.5	-176.3	0	0	0	0	107.2	G7 F11	G7-V9 PolarHBondContact O-N 3.21Å; V9-F11 HydrophobicContact CG1-CD2 3.77Å; V9-F11 HydrophobicContact CG1-CE2 3.54Å; V9-F11 PolarHBondContact O-N 3.33Å
10	Y	36.1	Very low	45	Very low	125 Å²	125	119.1 Å²	119.1	49%	0.49	64%	0.641	S	S	.	*			trans	-72.4	95.2	178	-74.7	-87.1	0	0	0	110	A8	A8-Y10 WeakPolarHBondContact O-CD2 3.24Å; A8-Y10 PolarHBondContact O-N 2.96Å; A8-Y10 VanDerWaalsContact O-N 3.09Å
11	F	36.9	Very low	45.6	Very low	176 Å²	176	118.1 Å²	118.1	77%	0.772	64%	0.635	S	S	*	*			trans	-89.8	135.3	155.9	-79.1	-85.6	0	0	0	108.7	V9 D13	V9-F11 HydrophobicContact CG1-CD2 3.77Å; V9-F11 HydrophobicContact CG1-CE2 3.54Å; V9-F11 PolarHBondContact O-N 3.33Å; F11-D13 PolarHBondContact O-N 3.19Å
12	S	36.4	Very low	46.8	Very low	122 Å²	122	113 Å²	113	85%	0.853	61%	0.609	S	S	*	*	S	Bend	trans	-71.9	90.8	177	53.9	0	0	0	0	110.5
13	D	39.3	Very low	48	Very low	110 Å²	110	112.6 Å²	112.6	59%	0.588	60%	0.599	S	S	*	*			trans	-151.2	92.7	163.7	-116.7	-16.6	0	0	0	110.1	F11 L15 F16	F11-D13 PolarHBondContact O-N 3.19Å; D13-L15 PolarHBondContact O-N 3.09Å; D13-F16 PolarHBondContact O-N 3.06Å
14	S	50.8	Low	49.1	Very low	103 Å²	103	115 Å²	115	72%	0.72	61%	0.606	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.9	-2.1	-170	32.6	0	0	0	0	115.8
15	L	46.6	Very low	50.7	Low	144 Å²	144	109.3 Å²	109.3	75%	0.754	59%	0.588	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.3	-29.8	176.2	-81.5	154.6	0	0	0	113.2	D13 Q17	D13-L15 PolarHBondContact O-N 3.09Å; L15-Q17 VanDerWaalsContact C-N 3.32Å; L15-Q17 PolarHBondContact O-N 3.19Å
16	F	45.1	Very low	52.1	Low	142 Å²	142	108.2 Å²	108.2	62%	0.623	59%	0.59	S	S	*	*	H	α-helix	trans	-79.1	-14.9	178.8	-101	-82.7	0	0	0	113.8	D13 T19 R20	D13-F16 PolarHBondContact O-N 3.06Å; F16-T19 PolarHBondContact O-OG1 3.04Å; F16-T19 VanDerWaalsContact O-OG1 3.11Å; F16-R20 PolarHBondContact O-N 3.49Å
17	Q	46.7	Very low	53.7	Low	86 Å²	86	106.1 Å²	106.1	40%	0.402	58%	0.583	S	S	.	*	H	α-helix	trans	-78.2	-33.7	-175	-152.2	155.4	15.2	0	0	112.1	L15 D21	L15-Q17 VanDerWaalsContact C-N 3.32Å; L15-Q17 PolarHBondContact O-N 3.19Å; Q17-D21 PolarHBondContact O-N 3.48Å
18	Q	49.5	Very low	55.4	Low	139 Å²	139	104.7 Å²	104.7	65%	0.65	55%	0.554	S	S	*	*	H	α-helix	trans	-69.2	-36.8	178.9	-70.2	-175	-7.7	0	0	113.1	Q22	Q18-Q22 WeakPolarHBondContact O-CG 3.48Å; Q18-Q22 PolarHBondContact O-N 3.41Å
19	T	52.8	Low	57.4	Low	69 Å²	69	108 Å²	108	42%	0.423	56%	0.562	S	S	.	*	H	α-helix	trans	-69.2	-43.7	176.7	37.9	0	0	0	0	111.5	F16 D21 Q22 D23	F16-T19 PolarHBondContact O-OG1 3.04Å; F16-T19 VanDerWaalsContact O-OG1 3.11Å; T19-D21 PolarHBondContact O-N 3.21Å; T19-Q22 PolarHBondContact O-N 3.08Å; T19-D23 VanDerWaalsContact O-CG 3.3Å; T19-D23 PolarHBondContact O-N 2.99Å
20	R	53.3	Low	59.7	Low	165 Å²	165	108.2 Å²	108.2	62%	0.623	55%	0.554	S	S	*	*	H	α-helix	trans	-62.1	-38.9	177.9	-78.4	-175.4	163.7	-177.5	-2.9	113.8	F16 Q22 D23 N24	F16-R20 PolarHBondContact O-N 3.49Å; R20-Q22 VanDerWaalsContact C-N 3.34Å; R20-D23 PolarHBondContact O-N 3.49Å; R20-N24 WeakPolarHBondContact O-CB 3.31Å; R20-N24 PolarHBondContact O-N 2.79Å; R20-N24 PolarHBondContact O-ND2 3.06Å
21	D	59.5	Low	62.1	Low	99 Å²	99	102.3 Å²	102.3	53%	0.529	53%	0.531	S	S	.	.	H	α-helix	trans	-68.9	-35	177.9	-72.2	-22.2	0	0	0	111.8	Q17 T19 S25	Q17-D21 PolarHBondContact O-N 3.48Å; T19-D21 PolarHBondContact O-N 3.21Å; D21-S25 PolarHBondContact O-N 3.16Å; D21-S25 VanDerWaalsContact O-N 3.1Å
22	Q	63.2	Low	64.7	Low	135 Å²	135	96 Å²	96	63%	0.631	50%	0.504	S	S	*	.	H	α-helix	trans	-67.4	-45	173.8	-73.1	-179.4	10.6	0	0	111.9	Q18 T19 R20 N24 S25 A26	Q18-Q22 WeakPolarHBondContact O-CG 3.48Å; Q18-Q22 PolarHBondContact O-N 3.41Å; T19-Q22 PolarHBondContact O-N 3.08Å; R20-Q22 VanDerWaalsContact C-N 3.34Å; Q22-N24 PolarHBondContact O-N 3.38Å; Q22-S25 PolarHBondContact O-N 3.26Å; Q22-A26 WeakPolarHBondContact O-CB 3.45Å; Q22-A26 PolarHBondContact O-N 3.22Å
23	D	69.4	Low	67.3	Low	93 Å²	93	98.3 Å²	98.3	50%	0.497	49%	0.493	S	S	.	.	H	α-helix	trans	-61.8	-43.4	178.1	-67.6	-25.8	0	0	0	111.3	T19 R20 S25 A26 N27	T19-D23 VanDerWaalsContact O-CG 3.3Å; T19-D23 PolarHBondContact O-N 2.99Å; R20-D23 PolarHBondContact O-N 3.49Å; D23-S25 PolarHBondContact O-N 2.95Å; D23-A26 PolarHBondContact O-N 3.48Å; D23-N27 WeakPolarHBondContact O-CB 3.49Å; D23-N27 PolarHBondContact O-N 3.06Å; D23-N27 PolarHBondContact O-ND2 3.3Å
24	N	72.9	Confident	69.8	Low	76 Å²	76	95.3 Å²	95.3	41%	0.406	48%	0.475	S	S	.	.	H	α-helix	trans	-62.1	-43.4	176.4	-73.9	-24.8	0	0	0	111.9	R20 Q22 A26 N27 L28	R20-N24 WeakPolarHBondContact O-CB 3.31Å; R20-N24 PolarHBondContact O-N 2.79Å; R20-N24 PolarHBondContact O-ND2 3.06Å; Q22-N24 PolarHBondContact O-N 3.38Å; N24-A26 PolarHBondContact O-N 2.8Å; N24-N27 PolarHBondContact O-N 3.48Å; N24-L28 VanDerWaalsContact O-CG 3.28Å; N24-L28 WeakPolarHBondContact O-CG 3.44Å; N24-L28 PolarHBondContact O-N 3.42Å
25	S	77.2	Confident	71.7	Confident	59 Å²	59	90.4 Å²	90.4	41%	0.413	44%	0.441	S	S	.	.	H	α-helix	trans	-65.5	-38.3	176.8	-174.1	0	0	0	0	112.2	D21 Q22 D23 L28 Q29	D21-S25 PolarHBondContact O-N 3.16Å; D21-S25 VanDerWaalsContact O-N 3.1Å; Q22-S25 PolarHBondContact O-N 3.26Å; D23-S25 PolarHBondContact O-N 2.95Å; S25-L28 PolarHBondContact O-N 2.97Å; S25-Q29 WeakPolarHBondContact O-CG 3.45Å; S25-Q29 PolarHBondContact O-N 2.9Å
26	A	80	Confident	73.8	Confident	54 Å²	54	85.4 Å²	85.4	45%	0.446	41%	0.413	S	S	.	.	H	α-helix	trans	-65.1	-43.6	176.5	0	0	0	0	0	111.3	Q22 D23 N24 L28 Q29 F30	Q22-A26 WeakPolarHBondContact O-CB 3.45Å; Q22-A26 PolarHBondContact O-N 3.22Å; D23-A26 PolarHBondContact O-N 3.48Å; N24-A26 PolarHBondContact O-N 2.8Å; A26-L28 PolarHBondContact O-N 3.1Å; A26-Q29 PolarHBondContact O-N 2.96Å; A26-F30 PolarHBondContact O-N 2.89Å
27	N	82	Confident	76	Confident	87 Å²	87	83 Å²	83	47%	0.465	40%	0.404	S	S	.	.	H	α-helix	trans	-61.6	-42.2	175.9	-71.1	-21.7	0	0	0	112.1	D23 N24 F30 A31	D23-N27 WeakPolarHBondContact O-CB 3.49Å; D23-N27 PolarHBondContact O-N 3.06Å; D23-N27 PolarHBondContact O-ND2 3.3Å; N24-N27 PolarHBondContact O-N 3.48Å; N27-F30 PolarHBondContact O-N 2.85Å; N27-A31 WeakPolarHBondContact O-CB 3.12Å; N27-A31 PolarHBondContact O-N 3.28Å
28	L	81.7	Confident	78.1	Confident	57 Å²	57	78.9 Å²	78.9	30%	0.298	38%	0.384	S	S	.	.	H	α-helix	trans	-64.6	-40.2	176.6	-73	168.3	0	0	0	112.3	N24 S25 A26 A31 K32 D90	N24-L28 VanDerWaalsContact O-CG 3.28Å; N24-L28 WeakPolarHBondContact O-CG 3.44Å; N24-L28 PolarHBondContact O-N 3.42Å; S25-L28 PolarHBondContact O-N 2.97Å; A26-L28 PolarHBondContact O-N 3.1Å; L28-A31 PolarHBondContact O-N 2.69Å; L28-K32 WeakPolarHBondContact O-CB 3.22Å; L28-K32 PolarHBondContact O-N 2.92Å; L28-D90 HydrophobicContact CD2-CB 4.19Å
29	Q	86.3	Confident	80	Confident	116 Å²	116	72.3 Å²	72.3	54%	0.542	35%	0.354	S	S	.	.	H	α-helix	trans	-66.3	-39.5	175.3	-73.9	-174.4	6.4	0	0	112.3	S25 A26 K32 R33	S25-Q29 WeakPolarHBondContact O-CG 3.45Å; S25-Q29 PolarHBondContact O-N 2.9Å; A26-Q29 PolarHBondContact O-N 2.96Å; Q29-K32 PolarHBondContact O-N 2.9Å; Q29-R33 WeakPolarHBondContact O-CG 3.35Å; Q29-R33 PolarHBondContact O-N 3.48Å; Q29-R33 VanDerWaalsContact O-N 3.1Å
30	F	88.5	Confident	81.6	Confident	115 Å²	115	74.6 Å²	74.6	50%	0.504	36%	0.355	S	S	.	.	H	α-helix	trans	-63.4	-45.3	174.7	-179.4	-107	0	0	0	111.5	A26 N27 K32 R33 K34	A26-F30 PolarHBondContact O-N 2.89Å; N27-F30 PolarHBondContact O-N 2.85Å; F30-K32 PolarHBondContact O-N 3.42Å; F30-R33 PolarHBondContact O-N 2.84Å; F30-K34 HydrophobicContact CD1-CD 4.28Å; F30-K34 HydrophobicContact CE1-CD 3.74Å; F30-K34 HydrophobicContact CE1-CG 4.39Å; F30-K34 HydrophobicContact CZ-CD 4.07Å; F30-K34 HydrophobicContact CZ-CG 4.45Å; F30-K34 PolarHBondContact O-N 3.31Å
31	A	87.1	Confident	83.2	Confident	2 Å²	2	71.7 Å²	71.7	2%	0.017	35%	0.348	C	S	.	.	H	α-helix	trans	-60.1	-43.8	175.1	0	0	0	0	0	111.9	N27 L28 R33 K34 F35 L80 Y91	N27-A31 WeakPolarHBondContact O-CB 3.12Å; N27-A31 PolarHBondContact O-N 3.28Å; L28-A31 PolarHBondContact O-N 2.69Å; A31-R33 VanDerWaalsContact C-N 3.33Å; A31-R33 PolarHBondContact O-N 2.98Å; A31-K34 PolarHBondContact O-N 3.16Å; A31-F35 HydrophobicContact CB-CD2 4.46Å; A31-F35 HydrophobicContact CB-CE2 4.08Å; A31-F35 WeakPolarHBondContact O-CD2 3.29Å; A31-F35 WeakPolarHBondContact O-CG 3.23Å; A31-F35 PolarHBondContact O-N 3.47Å; A31-L80 HydrophobicContact CB-CD2 3.93Å; A31-Y91 HydrophobicContact CB-CD1 3.8Å; A31-Y91 HydrophobicContact CB-CE1 3.53Å
32	K	90.5	Very high	84.5	Confident	44 Å²	44	68 Å²	68	19%	0.191	33%	0.328	C	S	.	.	H	α-helix	trans	-56.3	-44	175.1	-176.6	176.9	176.8	175	0	112.4	L28 Q29 F30 F35 K36 E97 A98 E101	L28-K32 WeakPolarHBondContact O-CB 3.22Å; L28-K32 PolarHBondContact O-N 2.92Å; Q29-K32 PolarHBondContact O-N 2.9Å; F30-K32 PolarHBondContact O-N 3.42Å; K32-F35 PolarHBondContact O-N 2.82Å; K32-K36 WeakPolarHBondContact O-CB 3.36Å; K32-K36 PolarHBondContact O-N 3.03Å; K32-E97 IonicContact NZ-OE2 3.47Å; K32-E97 PolarHBondContact NZ-OE2 2.81Å; K32-A98 HydrophobicContact CG-CB 4.12Å; K32-E101 WeakPolarHBondContact CE-OE1 3.01Å; K32-E101 IonicContact NZ-OE1 3.52Å; K32-E101 PolarHBondContact NZ-OE1 2.77Å
33	R	91.8	Very high	85.5	Confident	169 Å²	169	66.1 Å²	66.1	64%	0.638	32%	0.322	S	S	*	.	H	α-helix	trans	-63.5	-45.7	176.7	-71.7	179.3	-176.4	175.1	3.1	111.7	Q29 F30 A31 F35 K36 E37	Q29-R33 WeakPolarHBondContact O-CG 3.35Å; Q29-R33 PolarHBondContact O-N 3.48Å; Q29-R33 VanDerWaalsContact O-N 3.1Å; F30-R33 PolarHBondContact O-N 2.84Å; A31-R33 VanDerWaalsContact C-N 3.33Å; A31-R33 PolarHBondContact O-N 2.98Å; R33-F35 PolarHBondContact O-N 2.8Å; R33-K36 WeakPolarHBondContact O-CB 3.49Å; R33-K36 PolarHBondContact O-N 3.27Å; R33-E37 PolarHBondContact O-N 3.46Å
34	K	91	Very high	85.7	Confident	47 Å²	47	66.9 Å²	66.9	20%	0.204	33%	0.326	C	S	.	.	H	α-helix	trans	-63.8	-40.1	176.6	-75.3	-171.9	162.5	-175.2	0	112.9	F30 A31 K36 E37 F38 D77 L80	F30-K34 HydrophobicContact CD1-CD 4.28Å; F30-K34 HydrophobicContact CE1-CD 3.74Å; F30-K34 HydrophobicContact CE1-CG 4.39Å; F30-K34 HydrophobicContact CZ-CD 4.07Å; F30-K34 HydrophobicContact CZ-CG 4.45Å; F30-K34 PolarHBondContact O-N 3.31Å; A31-K34 PolarHBondContact O-N 3.16Å; K34-K36 VanDerWaalsContact C-N 3.29Å; K34-K36 PolarHBondContact O-N 2.84Å; K34-E37 PolarHBondContact O-N 3.49Å; K34-F38 WeakPolarHBondContact O-CB 3.15Å; K34-F38 PolarHBondContact O-N 2.79Å; K34-D77 WeakPolarHBondContact CE-OD2 3.42Å; K34-D77 IonicContact NZ-OD2 2.76Å; K34-D77 PolarHBondContact NZ-OD2 3.34Å; K34-L80 HydrophobicContact CB-CD1 3.54Å; K34-L80 HydrophobicContact CD-CD1 3.59Å; K34-L80 HydrophobicContact CD-CD2 4.35Å; K34-L80 HydrophobicContact CD-CG 4.09Å; K34-L80 HydrophobicContact CG-CD1 4.25Å
35	F	90.9	Very high	85.5	Confident	0 Å²	0	67.5 Å²	67.5	0%	0	35%	0.35	C	S	.	.	H	α-helix	trans	-61.6	-39.6	174	-70.8	-48.9	0	0	0	111.8	A31 K32 R33 E37 F38 V39 L73 L80 Y91 F95 A98	A31-F35 HydrophobicContact CB-CD2 4.46Å; A31-F35 HydrophobicContact CB-CE2 4.08Å; A31-F35 WeakPolarHBondContact O-CD2 3.29Å; A31-F35 WeakPolarHBondContact O-CG 3.23Å; A31-F35 PolarHBondContact O-N 3.47Å; K32-F35 PolarHBondContact O-N 2.82Å; R33-F35 PolarHBondContact O-N 2.8Å; F35-E37 VanDerWaalsContact C-N 3.34Å; F35-F38 PolarHBondContact O-N 3.12Å; F35-V39 VanDerWaalsContact O-CG2 3.32Å; F35-V39 WeakPolarHBondContact O-CG2 3.38Å; F35-V39 PolarHBondContact O-N 3.01Å; F35-V39 VanDerWaalsContact O-N 3.07Å; F35-L73 HydrophobicContact CD1-CD1 4.32Å; F35-L73 HydrophobicContact CE1-CD1 4.21Å; F35-L73 HydrophobicContact CE1-CD2 4.24Å; F35-L80 HydrophobicContact CE1-CD1 4.35Å; F35-L80 HydrophobicContact CZ-CD2 4.45Å; F35-Y91 HydrophobicContact CE2-CD1 4Å; F35-Y91 HydrophobicContact CZ-CD1 4.17Å; F35-F95 HydrophobicContact CB-CD2 3.74Å; F35-F95 HydrophobicContact CB-CE2 4.06Å; F35-F95 HydrophobicContact CB-CG 4.46Å; F35-F95 HydrophobicContact CD1-CD1 4.4Å; F35-F95 HydrophobicContact CD1-CD2 4.1Å; F35-F95 HydrophobicContact CD1-CE2 4.22Å; F35-F95 HydrophobicContact CD1-CG 4.2Å; F35-F95 HydrophobicContact CD1-CZ 4.44Å; F35-F95 HydrophobicContact CD2-CB 4.09Å; F35-F95 HydrophobicContact CD2-CD2 4.4Å; F35-F95 HydrophobicContact CD2-CG 4.31Å; F35-F95 HydrophobicContact CE1-CD1 4.46Å; F35-F95 HydrophobicContact CE2-CB 4.28Å; F35-F95 HydrophobicContact CG-CB 4.37Å; F35-F95 AromaticContact CG-CD2 3.85Å; F35-F95 HydrophobicContact CG-CD2 3.85Å; F35-F95 HydrophobicContact CG-CE2 4.31Å; F35-F95 HydrophobicContact CG-CG 4.09Å; F35-A98 HydrophobicContact CB-CB 3.95Å
36	K	91.1	Very high	85.3	Confident	39 Å²	39	66.6 Å²	66.6	17%	0.17	35%	0.35	C	S	.	.	H	α-helix	trans	-61.7	-41.7	174.3	-177.6	169	-169.8	166.9	0	111.9	K32 R33 K34 R40 A98 E101 V102 E105	K32-K36 WeakPolarHBondContact O-CB 3.36Å; K32-K36 PolarHBondContact O-N 3.03Å; R33-K36 WeakPolarHBondContact O-CB 3.49Å; R33-K36 PolarHBondContact O-N 3.27Å; K34-K36 VanDerWaalsContact C-N 3.29Å; K34-K36 PolarHBondContact O-N 2.84Å; K36-R40 VanDerWaalsContact O-CG 3.31Å; K36-R40 WeakPolarHBondContact O-CG 3.28Å; K36-R40 PolarHBondContact O-N 2.97Å; K36-A98 HydrophobicContact CB-CB 4.34Å; K36-E101 IonicContact NZ-OE2 3.16Å; K36-E101 PolarHBondContact NZ-OE2 2.88Å; K36-V102 HydrophobicContact CB-CG2 4.44Å; K36-V102 HydrophobicContact CD-CG2 4.47Å; K36-V102 HydrophobicContact CG-CG2 3.65Å; K36-E105 VanDerWaalsContact CE-OE1 3.27Å; K36-E105 WeakPolarHBondContact CE-OE1 3.43Å; K36-E105 IonicContact NZ-OE1 3.73Å; K36-E105 PolarHBondContact NZ-OE1 3.49Å; K36-E105 IonicContact NZ-OE2 3.31Å
37	E	90.5	Very high	85.1	Confident	91 Å²	91	73.5 Å²	73.5	43%	0.425	37%	0.37	S	S	.	.	H	α-helix	trans	-67.8	-44.4	176	-71.9	174.8	176.6	0	0	112.2	R33 K34 F35 V39 R40 Q41	R33-E37 PolarHBondContact O-N 3.46Å; K34-E37 PolarHBondContact O-N 3.49Å; F35-E37 VanDerWaalsContact C-N 3.34Å; E37-V39 PolarHBondContact O-N 3.19Å; E37-R40 PolarHBondContact O-N 3.26Å; E37-R40 VanDerWaalsContact O-N 3.07Å; E37-Q41 WeakPolarHBondContact O-CB 3.39Å; E37-Q41 WeakPolarHBondContact O-CG 3.49Å; E37-Q41 PolarHBondContact O-N 3Å
38	F	91.3	Very high	85	Confident	0 Å²	0	75.2 Å²	75.2	0%	0	38%	0.379	C	S	.	.	H	α-helix	trans	-53.8	-51.5	175.7	168.4	-107.3	0	0	0	111.8	K34 F35 R40 Q41 F42 Y51 V68 D72 L73 Y76 F95	K34-F38 WeakPolarHBondContact O-CB 3.15Å; K34-F38 PolarHBondContact O-N 2.79Å; F35-F38 PolarHBondContact O-N 3.12Å; F38-R40 PolarHBondContact O-N 3.5Å; F38-Q41 PolarHBondContact O-N 3.24Å; F38-F42 HydrophobicContact CD2-CB 4.26Å; F38-F42 HydrophobicContact CD2-CD2 4.16Å; F38-F42 HydrophobicContact CE2-CB 4.11Å; F38-F42 AromaticContact CE2-CD2 3.54Å; F38-F42 HydrophobicContact CE2-CD2 3.54Å; F38-F42 HydrophobicContact CE2-CE2 4.21Å; F38-F42 AromaticContact CE2-CG 3.94Å; F38-F42 HydrophobicContact CE2-CG 3.94Å; F38-F42 HydrophobicContact CZ-CD2 4.38Å; F38-F42 HydrophobicContact CZ-CG 4.48Å; F38-F42 VanDerWaalsContact O-CB 3.26Å; F38-F42 WeakPolarHBondContact O-CB 3.42Å; F38-F42 PolarHBondContact O-N 2.8Å; F38-Y51 HydrophobicContact CE1-CD2 4.18Å; F38-Y51 AromaticContact CE1-CE2 3.92Å; F38-Y51 HydrophobicContact CE1-CE2 3.92Å; F38-Y51 HydrophobicContact CE2-CE2 4.31Å; F38-Y51 HydrophobicContact CZ-CD2 4.12Å; F38-Y51 AromaticContact CZ-CE2 3.51Å; F38-Y51 HydrophobicContact CZ-CE2 3.51Å; F38-V68 HydrophobicContact CE1-CG1 3.96Å; F38-V68 HydrophobicContact CZ-CG1 4.31Å; F38-D72 HydrophobicContact CE2-CB 4.49Å; F38-D72 HydrophobicContact CZ-CB 4.23Å; F38-L73 HydrophobicContact CD1-CD1 3.87Å; F38-L73 HydrophobicContact CD2-CD1 4.06Å; F38-L73 HydrophobicContact CE1-CD1 3.95Å; F38-L73 HydrophobicContact CE2-CB 4.42Å; F38-L73 HydrophobicContact CE2-CD1 4.12Å; F38-L73 HydrophobicContact CG-CD1 3.92Å; F38-L73 HydrophobicContact CZ-CB 4.13Å; F38-L73 HydrophobicContact CZ-CD1 4.07Å; F38-Y76 HydrophobicContact CB-CD1 3.97Å; F38-Y76 HydrophobicContact CB-CE1 3.98Å; F38-Y76 AromaticContact CD2-CD1 3.86Å; F38-Y76 HydrophobicContact CD2-CD1 3.86Å; F38-Y76 HydrophobicContact CD2-CD2 4.36Å; F38-Y76 AromaticContact CD2-CG 3.71Å; F38-Y76 HydrophobicContact CD2-CG 3.71Å; F38-Y76 HydrophobicContact CG-CD1 4.36Å; F38-F95 HydrophobicContact CD1-CZ 4.39Å; F38-F95 HydrophobicContact CE1-CZ 4.41Å
39	V	88.9	Confident	85.1	Confident	2 Å²	2	75.9 Å²	75.9	1%	0.012	38%	0.38	C	S	.	.	H	α-helix	trans	-62.3	-29.8	-179.8	175.1	0	0	0	0	112	F35 E37 I55 F95 V99 V102	F35-V39 VanDerWaalsContact O-CG2 3.32Å; F35-V39 WeakPolarHBondContact O-CG2 3.38Å; F35-V39 PolarHBondContact O-N 3.01Å; F35-V39 VanDerWaalsContact O-N 3.07Å; E37-V39 PolarHBondContact O-N 3.19Å; V39-I55 HydrophobicContact CG1-CD1 3.46Å; V39-I55 VanDerWaalsContact CG1-CD1 3.46Å; V39-F95 HydrophobicContact CG2-CE2 3.81Å; V39-F95 HydrophobicContact CG2-CZ 4.43Å; V39-V99 HydrophobicContact CG2-CG2 4.16Å; V39-V102 HydrophobicContact CG1-CB 4.43Å; V39-V102 HydrophobicContact CG1-CG1 3.99Å
40	R	87.1	Confident	85.1	Confident	117 Å²	117	73.2 Å²	73.2	44%	0.442	37%	0.367	S	S	.	.	H	α-helix	trans	-83.1	-38.6	180	-75.1	173.2	167.9	-165.3	-0.7	113.5	K36 E37 F38 F49 V102 E105	K36-R40 VanDerWaalsContact O-CG 3.31Å; K36-R40 WeakPolarHBondContact O-CG 3.28Å; K36-R40 PolarHBondContact O-N 2.97Å; E37-R40 PolarHBondContact O-N 3.26Å; E37-R40 VanDerWaalsContact O-N 3.07Å; F38-R40 PolarHBondContact O-N 3.5Å; R40-F49 WeakPolarHBondContact O-CD1 3.48Å; R40-V102 HydrophobicContact CG-CG1 4.28Å; R40-V102 HydrophobicContact CG-CG2 4.31Å; R40-E105 IonicContact CZ-OE2 3.21Å; R40-E105 IonicContact NE-OE2 2.67Å; R40-E105 IonicContact NH2-OE1 4Å; R40-E105 PolarHBondContact NH2-OE1 3.35Å; R40-E105 IonicContact NH2-OE2 2.64Å; R40-E105 PolarHBondContact NH2-OE2 2.9Å
41	Q	86.7	Confident	85.1	Confident	104 Å²	104	67.9 Å²	67.9	49%	0.486	34%	0.343	S	S	.	.	H	α-helix	trans	-99.7	-21.8	-166.5	-68.2	178.5	-5.2	0	0	114	E37 F38 N43 Y76	E37-Q41 WeakPolarHBondContact O-CB 3.39Å; E37-Q41 WeakPolarHBondContact O-CG 3.49Å; E37-Q41 PolarHBondContact O-N 3Å; F38-Q41 PolarHBondContact O-N 3.24Å; Q41-N43 PolarHBondContact O-N 2.97Å; Q41-Y76 PolarHBondContact OE1-OH 2.87Å
42	F	86.4	Confident	85.2	Confident	21 Å²	21	73.2 Å²	73.2	9%	0.092	36%	0.363	C	S	.	.			trans	-62	120.7	-172.7	-171.1	-93.4	0	0	0	112	F38 K50 Y51 D72	F38-F42 HydrophobicContact CD2-CB 4.26Å; F38-F42 HydrophobicContact CD2-CD2 4.16Å; F38-F42 HydrophobicContact CE2-CB 4.11Å; F38-F42 AromaticContact CE2-CD2 3.54Å; F38-F42 HydrophobicContact CE2-CD2 3.54Å; F38-F42 HydrophobicContact CE2-CE2 4.21Å; F38-F42 AromaticContact CE2-CG 3.94Å; F38-F42 HydrophobicContact CE2-CG 3.94Å; F38-F42 HydrophobicContact CZ-CD2 4.38Å; F38-F42 HydrophobicContact CZ-CG 4.48Å; F38-F42 VanDerWaalsContact O-CB 3.26Å; F38-F42 WeakPolarHBondContact O-CB 3.42Å; F38-F42 PolarHBondContact O-N 2.8Å; F42-K50 HydrophobicContact CE1-CD 4.32Å; F42-Y51 HydrophobicContact CB-CD2 3.99Å; F42-Y51 HydrophobicContact CB-CE2 4.27Å; F42-Y51 AromaticContact CD1-CD2 3.84Å; F42-Y51 HydrophobicContact CD1-CD2 3.84Å; F42-Y51 AromaticContact CD1-CE2 3.52Å; F42-Y51 HydrophobicContact CD1-CE2 3.52Å; F42-Y51 HydrophobicContact CE1-CE2 4.05Å; F42-Y51 HydrophobicContact CG-CD2 4.12Å; F42-Y51 AromaticContact CG-CE2 3.91Å; F42-Y51 HydrophobicContact CG-CE2 3.91Å; F42-D72 HydrophobicContact CD2-CB 4.38Å; F42-D72 HydrophobicContact CE1-CB 3.79Å; F42-D72 WeakPolarHBondContact CE1-OD2 3.09Å; F42-D72 HydrophobicContact CE2-CB 3.63Å; F42-D72 WeakPolarHBondContact CE2-O 3.29Å; F42-D72 HydrophobicContact CZ-CB 3.3Å
43	N	83.6	Confident	85	Confident	96 Å²	96	74.7 Å²	74.7	51%	0.513	37%	0.373	S	S	.	.			trans	-123.5	142.2	178.3	60.6	-11.2	0	0	0	110.5	Q41	Q41-N43 PolarHBondContact O-N 2.97Å
44	D	74.4	Confident	84.9	Confident	109 Å²	109	68.9 Å²	68.9	58%	0.583	35%	0.353	S	S	*	.	S	Bend	trans	-110.7	81.3	179.2	-157.7	0.3	0	0	0	107.9	G46	D44-G46 PolarHBondContact O-N 3.07Å
45	G	68.4	Low	84.8	Confident	89 Å²	89	66.7 Å²	66.7	92%	0.918	34%	0.344	S	S	*	.	S	Bend	trans	61.7	15.3	172.4	0	0	0	0	0	117.7
46	G	73.9	Confident	84.6	Confident	39 Å²	39	73.4 Å²	73.4	40%	0.402	37%	0.373	S	S	.	.	S	Bend	trans	-158.8	-163.3	-178.9	0	0	0	0	0	113.6	D44 D48	D44-G46 PolarHBondContact O-N 3.07Å; G46-D48 VanDerWaalsContact C-N 3.28Å
47	F	74.6	Confident	84.5	Confident	200 Å²	200	78.7 Å²	78.7	88%	0.877	40%	0.396	S	S	*	.	S	Bend	trans	-83.3	-1.2	175	-71.3	-76.7	0	0	0	113.7
48	D	79.6	Confident	84.4	Confident	122 Å²	122	75.1 Å²	75.1	65%	0.652	38%	0.38	S	S	*	.			trans	-85.1	117.6	-175.4	-66.2	-14.1	0	0	0	110.6	G46 K50	G46-D48 VanDerWaalsContact C-N 3.28Å; D48-K50 PolarHBondContact O-N 3.32Å
49	F	84.7	Confident	84.1	Confident	71 Å²	71	76.6 Å²	76.6	31%	0.311	39%	0.385	S	S	.	.			trans	-89.7	84.7	176.6	-68	-81.8	0	0	0	109.2	R40 Y51 R52 D53	R40-F49 WeakPolarHBondContact O-CD1 3.48Å; F49-Y51 VanDerWaalsContact C-N 3.32Å; F49-Y51 PolarHBondContact O-N 3.05Å; F49-Y51 VanDerWaalsContact O-N 3.1Å; F49-R52 HydrophobicContact CB-CB 3.77Å; F49-R52 PolarHBondContact O-N 3.26Å; F49-D53 PolarHBondContact O-N 2.66Å
50	K	86	Confident	84	Confident	61 Å²	61	79.7 Å²	79.7	27%	0.265	42%	0.417	S	S	.	.	H	α-helix	trans	-39.5	-53.8	-174.4	-174.4	179.2	-178.3	179.8	0	114.4	F42 D48 Q54 D72	F42-K50 HydrophobicContact CE1-CD 4.32Å; D48-K50 PolarHBondContact O-N 3.32Å; K50-Q54 VanDerWaalsContact O-CB 3.3Å; K50-Q54 WeakPolarHBondContact O-CB 3.42Å; K50-Q54 PolarHBondContact O-N 3.15Å; K50-Q54 VanDerWaalsContact O-N 3.07Å; K50-D72 IonicContact NZ-OD1 2.8Å; K50-D72 IonicContact NZ-OD2 3.7Å; K50-D72 PolarHBondContact NZ-OD2 2.78Å
51	Y	89.1	Confident	84	Confident	2 Å²	2	79 Å²	79	1%	0.008	42%	0.422	C	S	.	.	H	α-helix	trans	-76.6	-35.3	-175.9	-66.1	-57.2	0	0	0	113.6	F38 F42 F49 Q54 I55 I66 V67 V68 K69 D72	F38-Y51 HydrophobicContact CE1-CD2 4.18Å; F38-Y51 AromaticContact CE1-CE2 3.92Å; F38-Y51 HydrophobicContact CE1-CE2 3.92Å; F38-Y51 HydrophobicContact CE2-CE2 4.31Å; F38-Y51 HydrophobicContact CZ-CD2 4.12Å; F38-Y51 AromaticContact CZ-CE2 3.51Å; F38-Y51 HydrophobicContact CZ-CE2 3.51Å; F42-Y51 HydrophobicContact CB-CD2 3.99Å; F42-Y51 HydrophobicContact CB-CE2 4.27Å; F42-Y51 AromaticContact CD1-CD2 3.84Å; F42-Y51 HydrophobicContact CD1-CD2 3.84Å; F42-Y51 AromaticContact CD1-CE2 3.52Å; F42-Y51 HydrophobicContact CD1-CE2 3.52Å; F42-Y51 HydrophobicContact CE1-CE2 4.05Å; F42-Y51 HydrophobicContact CG-CD2 4.12Å; F42-Y51 AromaticContact CG-CE2 3.91Å; F42-Y51 HydrophobicContact CG-CE2 3.91Å; F49-Y51 VanDerWaalsContact C-N 3.32Å; F49-Y51 PolarHBondContact O-N 3.05Å; F49-Y51 VanDerWaalsContact O-N 3.1Å; Y51-Q54 PolarHBondContact O-N 2.86Å; Y51-I55 WeakPolarHBondContact O-CB 3.42Å; Y51-I55 VanDerWaalsContact O-CG1 3.25Å; Y51-I55 WeakPolarHBondContact O-CG1 3.43Å; Y51-I55 PolarHBondContact O-N 2.95Å; Y51-I66 HydrophobicContact CD1-CD1 3.89Å; Y51-I66 HydrophobicContact CD1-CG1 4.3Å; Y51-I66 HydrophobicContact CG-CD1 4.35Å; Y51-V67 WeakPolarHBondContact CE1-O 3.44Å; Y51-V68 HydrophobicContact CD1-CG2 4.4Å; Y51-V68 HydrophobicContact CE1-CB 4.27Å; Y51-V68 HydrophobicContact CE1-CG1 4.28Å; Y51-V68 HydrophobicContact CE1-CG2 4.12Å; Y51-K69 PolarHBondContact OH-N 3.47Å; Y51-K69 VanDerWaalsContact OH-N 3.1Å; Y51-D72 HydrophobicContact CE2-CB 4.23Å; Y51-D72 WeakPolarHBondContact OH-CB 3.14Å; Y51-D72 PolarHBondContact OH-OD2 2.93Å
52	R	88	Confident	83.8	Confident	115 Å²	115	81.6 Å²	81.6	43%	0.434	43%	0.432	S	S	.	.	H	α-helix	trans	-65.3	-44.9	176.1	178.1	179.7	171	179.1	-2.3	111.1	F49 Q54 I55 K56 L106	F49-R52 HydrophobicContact CB-CB 3.77Å; F49-R52 PolarHBondContact O-N 3.26Å; R52-Q54 VanDerWaalsContact C-N 3.34Å; R52-I55 PolarHBondContact O-N 3.42Å; R52-K56 WeakPolarHBondContact O-CB 3.34Å; R52-K56 PolarHBondContact O-N 2.78Å; R52-L106 HydrophobicContact CG-CD1 3.81Å; R52-L106 HydrophobicContact CG-CD2 3.92Å
53	D	87.4	Confident	83.8	Confident	74 Å²	74	85.4 Å²	85.4	40%	0.396	45%	0.448	S	S	.	.	H	α-helix	trans	-68.5	-37.7	179.1	-66.2	-28.7	0	0	0	111	F49 K56 K57	F49-D53 PolarHBondContact O-N 2.66Å; D53-K56 PolarHBondContact O-N 3.02Å; D53-K57 VanDerWaalsContact O-CB 3.23Å; D53-K57 WeakPolarHBondContact O-CB 3.29Å; D53-K57 PolarHBondContact O-N 2.85Å
54	Q	88.8	Confident	84	Confident	47 Å²	47	82.8 Å²	82.8	22%	0.22	43%	0.431	C	S	.	.	H	α-helix	trans	-61.6	-47.1	172.3	-171.3	180	26.3	0	0	111.9	K50 Y51 R52 K57 N58 I66 V67	K50-Q54 VanDerWaalsContact O-CB 3.3Å; K50-Q54 WeakPolarHBondContact O-CB 3.42Å; K50-Q54 PolarHBondContact O-N 3.15Å; K50-Q54 VanDerWaalsContact O-N 3.07Å; Y51-Q54 PolarHBondContact O-N 2.86Å; R52-Q54 VanDerWaalsContact C-N 3.34Å; Q54-K57 PolarHBondContact O-N 3.42Å; Q54-N58 WeakPolarHBondContact O-CB 3.33Å; Q54-N58 PolarHBondContact O-N 3.09Å; Q54-I66 HydrophobicContact CG-CG1 4.5Å; Q54-V67 PolarHBondContact OE1-O 3.48Å
55	I	89.1	Confident	84.8	Confident	2 Å²	2	79.2 Å²	79.2	1%	0.01	41%	0.411	C	S	.	.	H	α-helix	trans	-59	-51	175.6	-71.4	167.4	0	0	0	110	V39 Y51 R52 K57 N58 Y59 I66 V99 V102 A103 L106	V39-I55 HydrophobicContact CG1-CD1 3.46Å; V39-I55 VanDerWaalsContact CG1-CD1 3.46Å; Y51-I55 WeakPolarHBondContact O-CB 3.42Å; Y51-I55 VanDerWaalsContact O-CG1 3.25Å; Y51-I55 WeakPolarHBondContact O-CG1 3.43Å; Y51-I55 PolarHBondContact O-N 2.95Å; R52-I55 PolarHBondContact O-N 3.42Å; I55-K57 VanDerWaalsContact C-N 3.34Å; I55-K57 PolarHBondContact O-N 2.94Å; I55-N58 PolarHBondContact O-N 2.81Å; I55-Y59 HydrophobicContact CG2-CD2 3.73Å; I55-Y59 HydrophobicContact CG2-CE2 3.98Å; I55-Y59 WeakPolarHBondContact O-CB 3.34Å; I55-Y59 WeakPolarHBondContact O-CD2 3.44Å; I55-Y59 PolarHBondContact O-N 3.21Å; I55-I66 HydrophobicContact CD1-CD1 3.88Å; I55-I66 HydrophobicContact CG1-CD1 3.73Å; I55-I66 HydrophobicContact CG1-CG1 4.4Å; I55-V99 HydrophobicContact CD1-CG1 4.16Å; I55-V102 HydrophobicContact CD1-CG1 4.43Å; I55-A103 HydrophobicContact CG2-CB 3.69Å; I55-L106 HydrophobicContact CG2-CD1 4.12Å
56	K	87.5	Confident	85.9	Confident	141 Å²	141	75 Å²	75	61%	0.613	37%	0.367	S	S	*	.	H	α-helix	trans	-59.1	-44.9	-178.8	-172.4	179.9	-179.9	-176.5	0	111.8	R52 D53 G60	R52-K56 WeakPolarHBondContact O-CB 3.34Å; R52-K56 PolarHBondContact O-N 2.78Å; D53-K56 PolarHBondContact O-N 3.02Å; K56-G60 PolarHBondContact O-N 3.21Å
57	K	88.7	Confident	86.7	Confident	149 Å²	149	74.5 Å²	74.5	65%	0.648	36%	0.356	S	S	*	.	H	α-helix	trans	-64.4	-46.6	177.4	-174.5	179.6	-177.9	177.9	0	111.7	D53 Q54 I55 G60 L61	D53-K57 VanDerWaalsContact O-CB 3.23Å; D53-K57 WeakPolarHBondContact O-CB 3.29Å; D53-K57 PolarHBondContact O-N 2.85Å; Q54-K57 PolarHBondContact O-N 3.42Å; I55-K57 VanDerWaalsContact C-N 3.34Å; I55-K57 PolarHBondContact O-N 2.94Å; K57-G60 PolarHBondContact O-N 3.18Å; K57-L61 HydrophobicContact CG-CD1 4.4Å; K57-L61 WeakPolarHBondContact O-CG 3.43Å; K57-L61 PolarHBondContact O-N 3.09Å; K57-L61 VanDerWaalsContact O-N 3.11Å
58	N	88.2	Confident	87.5	Confident	17 Å²	17	65 Å²	65	9%	0.091	32%	0.315	C	S	.	.	H	α-helix	trans	-70.1	-43.3	-176.1	-74.4	-4.2	0	0	0	111.6	Q54 I55 L61 K62 K63 F65	Q54-N58 WeakPolarHBondContact O-CB 3.33Å; Q54-N58 PolarHBondContact O-N 3.09Å; I55-N58 PolarHBondContact O-N 2.81Å; N58-L61 CarbonylContact O-C 3.53Å; N58-L61 WeakPolarHBondContact O-CA 3.38Å; N58-L61 PolarHBondContact O-N 3.41Å; N58-L61 VanDerWaalsContact O-N 3.11Å; N58-K62 PolarHBondContact O-N 3.34Å; N58-K62 VanDerWaalsContact O-N 3.11Å; N58-K63 CarbonylContact C-O 3.54Å; N58-K63 HydrophobicContact CB-CB 4.39Å; N58-K63 VanDerWaalsContact CB-O 3.31Å; N58-K63 WeakPolarHBondContact CB-O 3.28Å; N58-K63 PolarHBondContact O-N 3.48Å; N58-F65 PolarHBondContact ND2-O 3.01Å
59	Y	85.9	Confident	87.9	Confident	31 Å²	31	62.6 Å²	62.6	12%	0.122	30%	0.298	C	S	.	.	H	α-helix	trans	-64.3	-39.1	173.4	-87.6	-106.4	0	0	0	112	I55 L61 K62 Y64 A103 V107	I55-Y59 HydrophobicContact CG2-CD2 3.73Å; I55-Y59 HydrophobicContact CG2-CE2 3.98Å; I55-Y59 WeakPolarHBondContact O-CB 3.34Å; I55-Y59 WeakPolarHBondContact O-CD2 3.44Å; I55-Y59 PolarHBondContact O-N 3.21Å; Y59-L61 PolarHBondContact O-N 3.02Å; Y59-K62 PolarHBondContact O-N 2.69Å; Y59-Y64 AromaticContact CD1-CD1 3.89Å; Y59-Y64 HydrophobicContact CD1-CD1 3.89Å; Y59-Y64 AromaticContact CD1-CE1 3.83Å; Y59-Y64 HydrophobicContact CD1-CE1 3.83Å; Y59-Y64 AromaticContact CE1-CD1 3.59Å; Y59-Y64 HydrophobicContact CE1-CD1 3.59Å; Y59-Y64 AromaticContact CE1-CE1 3.82Å; Y59-Y64 HydrophobicContact CE1-CE1 3.82Å; Y59-Y64 HydrophobicContact CE2-CD1 4.36Å; Y59-Y64 HydrophobicContact CG-CD1 4.4Å; Y59-Y64 AromaticContact CZ-CD1 3.85Å; Y59-A103 HydrophobicContact CD1-CB 4.33Å; Y59-A103 HydrophobicContact CD2-CB 4.15Å; Y59-A103 HydrophobicContact CE1-CB 3.71Å; Y59-A103 HydrophobicContact CE2-CB 3.49Å; Y59-A103 VanDerWaalsContact CE2-CB 3.49Å; Y59-A103 VanDerWaalsContact OH-CB 3.31Å; Y59-A103 WeakPolarHBondContact OH-CB 3.37Å; Y59-V107 HydrophobicContact CD1-CG2 4.16Å; Y59-V107 HydrophobicContact CG-CG2 4.3Å
60	G	85.2	Confident	88.1	Confident	66 Å²	66	59.4 Å²	59.4	68%	0.68	29%	0.285	S	S	*	.	H	α-helix	trans	-60	-29.9	172.5	0	0	0	0	0	113.4	K56 K57	K56-G60 PolarHBondContact O-N 3.21Å; K57-G60 PolarHBondContact O-N 3.18Å
61	L	87.2	Confident	88.2	Confident	104 Å²	104	64.2 Å²	64.2	55%	0.545	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.7	6.9	174.4	-65.5	174.3	0	0	0	113.8	K57 N58 Y59 K63	K57-L61 HydrophobicContact CG-CD1 4.4Å; K57-L61 WeakPolarHBondContact O-CG 3.43Å; K57-L61 PolarHBondContact O-N 3.09Å; K57-L61 VanDerWaalsContact O-N 3.11Å; N58-L61 CarbonylContact O-C 3.53Å; N58-L61 WeakPolarHBondContact O-CA 3.38Å; N58-L61 PolarHBondContact O-N 3.41Å; N58-L61 VanDerWaalsContact O-N 3.11Å; Y59-L61 PolarHBondContact O-N 3.02Å; L61-K63 HydrophobicContact CB-CD 4.45Å; L61-K63 HydrophobicContact CB-CG 4.43Å; L61-K63 PolarHBondContact O-N 3.11Å
62	K	84	Confident	88.3	Confident	158 Å²	158	64.8 Å²	64.8	69%	0.687	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.1	33.6	-173.9	-58.6	-176.9	176.3	-175.8	0	114	N58 Y59 Y64	N58-K62 PolarHBondContact O-N 3.34Å; N58-K62 VanDerWaalsContact O-N 3.11Å; Y59-K62 PolarHBondContact O-N 2.69Å; K62-Y64 HydrophobicContact CB-CE2 4.48Å
63	K	85.6	Confident	88.3	Confident	100 Å²	100	59.3 Å²	59.3	44%	0.435	28%	0.283	S	S	.	.			trans	-103.9	104.2	172.6	-71	179.1	178.4	-177.2	0	108.1	N58 L61 F65	N58-K63 CarbonylContact C-O 3.54Å; N58-K63 HydrophobicContact CB-CB 4.39Å; N58-K63 VanDerWaalsContact CB-O 3.31Å; N58-K63 WeakPolarHBondContact CB-O 3.28Å; N58-K63 PolarHBondContact O-N 3.48Å; L61-K63 HydrophobicContact CB-CD 4.45Å; L61-K63 HydrophobicContact CB-CG 4.43Å; L61-K63 PolarHBondContact O-N 3.11Å; K63-F65 HydrophobicContact CB-CD1 4.07Å; K63-F65 HydrophobicContact CB-CE1 3.82Å; K63-F65 HydrophobicContact CD-CE1 4.06Å; K63-F65 HydrophobicContact CG-CE1 4.25Å; K63-F65 PolarHBondContact O-N 3.22Å
64	Y	88.2	Confident	88.4	Confident	42 Å²	42	59.3 Å²	59.3	17%	0.165	28%	0.284	C	S	.	.			trans	-88.2	52.8	-175.4	-52.9	-74.3	0	0	0	112.2	Y59 K62 E117 A119 Q120 Y250	Y59-Y64 AromaticContact CD1-CD1 3.89Å; Y59-Y64 HydrophobicContact CD1-CD1 3.89Å; Y59-Y64 AromaticContact CD1-CE1 3.83Å; Y59-Y64 HydrophobicContact CD1-CE1 3.83Å; Y59-Y64 AromaticContact CE1-CD1 3.59Å; Y59-Y64 HydrophobicContact CE1-CD1 3.59Å; Y59-Y64 AromaticContact CE1-CE1 3.82Å; Y59-Y64 HydrophobicContact CE1-CE1 3.82Å; Y59-Y64 HydrophobicContact CE2-CD1 4.36Å; Y59-Y64 HydrophobicContact CG-CD1 4.4Å; Y59-Y64 AromaticContact CZ-CD1 3.85Å; K62-Y64 HydrophobicContact CB-CE2 4.48Å; Y64-E117 HydrophobicContact CD1-CB 4.17Å; Y64-E117 HydrophobicContact CD2-CB 4.09Å; Y64-E117 WeakPolarHBondContact CD2-OE2 3.35Å; Y64-E117 HydrophobicContact CE1-CB 4.22Å; Y64-E117 HydrophobicContact CE2-CB 4.21Å; Y64-E117 HydrophobicContact CE2-CG 4.22Å; Y64-E117 WeakPolarHBondContact CE2-OE2 3.4Å; Y64-E117 HydrophobicContact CG-CB 4.09Å; Y64-A119 WeakPolarHBondContact O-CA 3.14Å; Y64-Q120 PolarHBondContact O-N 3.16Å; Y64-Y250 WeakPolarHBondContact CD2-OH 3.37Å; Y64-Y250 PolarHBondContact N-OH 3.01Å
65	F	90	Very high	88.4	Confident	33 Å²	33	62.3 Å²	62.3	15%	0.145	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	152.3	172.3	72.1	-93.5	0	0	0	112.2	N58 K63 V67 Q120 L122 Y250	N58-F65 PolarHBondContact ND2-O 3.01Å; K63-F65 HydrophobicContact CB-CD1 4.07Å; K63-F65 HydrophobicContact CB-CE1 3.82Å; K63-F65 HydrophobicContact CD-CE1 4.06Å; K63-F65 HydrophobicContact CG-CE1 4.25Å; K63-F65 PolarHBondContact O-N 3.22Å; F65-V67 HydrophobicContact CD2-CG2 4.05Å; F65-V67 HydrophobicContact CE2-CG2 4Å; F65-Q120 CarbonylContact C-O 3.5Å; F65-Q120 WeakPolarHBondContact CA-O 3.4Å; F65-Q120 HydrophobicContact CB-CB 4.31Å; F65-L122 HydrophobicContact CB-CD1 4.25Å; F65-L122 HydrophobicContact CD2-CD1 3.77Å; F65-L122 HydrophobicContact CE2-CD1 4.46Å; F65-L122 HydrophobicContact CG-CD1 4.19Å; F65-Y250 HydrophobicContact CB-CD2 4.13Å; F65-Y250 HydrophobicContact CD1-CD1 4.07Å; F65-Y250 HydrophobicContact CD1-CD2 4.17Å; F65-Y250 HydrophobicContact CD1-CE1 4.48Å; F65-Y250 AromaticContact CD1-CG 3.9Å; F65-Y250 HydrophobicContact CD1-CG 3.9Å
66	I	91.8	Very high	88.3	Confident	2 Å²	2	66.2 Å²	66.2	1%	0.01	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	143.5	171.5	-170.1	177.2	0	0	0	108.8	Y51 Q54 I55 V68 V99 Q120 V121 L122	Y51-I66 HydrophobicContact CD1-CD1 3.89Å; Y51-I66 HydrophobicContact CD1-CG1 4.3Å; Y51-I66 HydrophobicContact CG-CD1 4.35Å; Q54-I66 HydrophobicContact CG-CG1 4.5Å; I55-I66 HydrophobicContact CD1-CD1 3.88Å; I55-I66 HydrophobicContact CG1-CD1 3.73Å; I55-I66 HydrophobicContact CG1-CG1 4.4Å; I66-V68 HydrophobicContact CD1-CG2 4.19Å; I66-V68 HydrophobicContact CG1-CG2 4.2Å; I66-V68 HydrophobicContact CG2-CG2 4.18Å; I66-V99 HydrophobicContact CG2-CG1 4.1Å; I66-V99 HydrophobicContact CG2-CG2 4.39Å; I66-Q120 PolarHBondContact N-O 3.36Å; I66-V121 HydrophobicContact CG2-CB 4.25Å; I66-V121 HydrophobicContact CG2-CG1 4.26Å; I66-V121 HydrophobicContact CG2-CG2 3.87Å; I66-L122 WeakPolarHBondContact O-CB 3.49Å; I66-L122 PolarHBondContact O-N 2.71Å
67	V	90.8	Very high	88.3	Confident	28 Å²	28	60.6 Å²	60.6	17%	0.17	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	111.2	176	-176.1	0	0	0	0	108	Y51 Q54 F65 L122 E124	Y51-V67 WeakPolarHBondContact CE1-O 3.44Å; Q54-V67 PolarHBondContact OE1-O 3.48Å; F65-V67 HydrophobicContact CD2-CG2 4.05Å; F65-V67 HydrophobicContact CE2-CG2 4Å; V67-L122 WeakPolarHBondContact CA-O 3.39Å; V67-L122 HydrophobicContact CG2-CB 4.32Å; V67-L122 HydrophobicContact CG2-CD1 4.27Å; V67-E124 HydrophobicContact CG1-CB 4.45Å; V67-E124 HydrophobicContact CG1-CG 3.65Å; V67-E124 WeakPolarHBondContact CG1-OE1 3.32Å
68	V	91	Very high	88.4	Confident	0 Å²	0	56.6 Å²	56.6	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	127.3	-176.9	-178.6	0	0	0	0	109.5	F38 Y51 I66 F95 V121 L122 F123 E124	F38-V68 HydrophobicContact CE1-CG1 3.96Å; F38-V68 HydrophobicContact CZ-CG1 4.31Å; Y51-V68 HydrophobicContact CD1-CG2 4.4Å; Y51-V68 HydrophobicContact CE1-CB 4.27Å; Y51-V68 HydrophobicContact CE1-CG1 4.28Å; Y51-V68 HydrophobicContact CE1-CG2 4.12Å; I66-V68 HydrophobicContact CD1-CG2 4.19Å; I66-V68 HydrophobicContact CG1-CG2 4.2Å; I66-V68 HydrophobicContact CG2-CG2 4.18Å; V68-F95 HydrophobicContact CG1-CE1 4.4Å; V68-F95 HydrophobicContact CG1-CZ 4.35Å; V68-F95 HydrophobicContact CG2-CE1 4.31Å; V68-F95 HydrophobicContact CG2-CZ 4.03Å; V68-V121 HydrophobicContact CG2-CG1 4.04Å; V68-L122 PolarHBondContact N-O 2.95Å; V68-F123 HydrophobicContact CB-CD1 4.32Å; V68-F123 HydrophobicContact CB-CE1 4.47Å; V68-F123 WeakPolarHBondContact O-CA 3.27Å; V68-E124 PolarHBondContact O-N 2.92Å
69	K	89.4	Confident	88.5	Confident	71 Å²	71	58.5 Å²	58.5	31%	0.309	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	128.4	172.9	-64.8	-167.6	177	-168.3	0	109.4	Y51 R71 D72 L73 E124	Y51-K69 PolarHBondContact OH-N 3.47Å; Y51-K69 VanDerWaalsContact OH-N 3.1Å; K69-R71 PolarHBondContact O-N 2.96Å; K69-D72 HydrophobicContact CB-CB 4.36Å; K69-D72 WeakPolarHBondContact O-CB 3.03Å; K69-D72 PolarHBondContact O-N 3.1Å; K69-D72 VanDerWaalsContact O-N 3.16Å; K69-L73 PolarHBondContact O-N 3.29Å; K69-E124 WeakPolarHBondContact CA-O 3.34Å; K69-E124 WeakPolarHBondContact CE-OE2 3.38Å; K69-E124 HydrophobicContact CG-CB 4.21Å
70	L	88.2	Confident	88.6	Confident	5 Å²	5	57.4 Å²	57.4	3%	0.026	30%	0.295	C	S	.	.	H	α-helix	trans	-66.8	-26.3	-178.7	-158.2	69.5	0	0	0	112.1	D72 L73 N74 T81 L84 I85 F123 E124 W125 L143	L70-D72 VanDerWaalsContact C-N 3.34Å; L70-L73 HydrophobicContact CD1-CD2 4.23Å; L70-L73 PolarHBondContact O-N 3.5Å; L70-N74 WeakPolarHBondContact O-CB 3.05Å; L70-N74 PolarHBondContact O-N 3.47Å; L70-T81 HydrophobicContact CD1-CG2 4.06Å; L70-T81 HydrophobicContact CD2-CG2 4.23Å; L70-T81 HydrophobicContact CG-CG2 3.84Å; L70-L84 HydrophobicContact CD1-CD2 3.89Å; L70-I85 HydrophobicContact CD2-CD1 4.16Å; L70-I85 HydrophobicContact CD2-CG1 4.17Å; L70-F123 HydrophobicContact CD1-CD1 4.44Å; L70-E124 PolarHBondContact N-O 3.16Å; L70-W125 HydrophobicContact CB-CB 4.48Å; L70-W125 HydrophobicContact CB-CG 4.34Å; L70-W125 HydrophobicContact CD2-CD2 4Å; L70-W125 HydrophobicContact CD2-CG 3.83Å; L70-L143 HydrophobicContact CD2-CD2 4.17Å
71	R	88.7	Confident	88.8	Confident	162 Å²	162	54.5 Å²	54.5	61%	0.611	26%	0.264	S	S	*	.	H	α-helix	trans	-61.4	-41.9	173.6	-174.7	177.8	-179.8	179.3	-2.1	112	K69 L73 N74 N75	K69-R71 PolarHBondContact O-N 2.96Å; R71-L73 VanDerWaalsContact C-N 3.34Å; R71-N74 PolarHBondContact O-N 3.07Å; R71-N75 VanDerWaalsContact O-CG 3.23Å; R71-N75 PolarHBondContact O-N 3.27Å; R71-N75 PolarHBondContact O-OD1 3.21Å
72	D	89.6	Confident	88.9	Confident	13 Å²	13	55.1 Å²	55.1	7%	0.07	26%	0.264	C	S	.	.	H	α-helix	trans	-64.9	-41.9	180	-65.7	2.4	0	0	0	110.5	F38 F42 K50 Y51 K69 L70 N75 Y76	F38-D72 HydrophobicContact CE2-CB 4.49Å; F38-D72 HydrophobicContact CZ-CB 4.23Å; F42-D72 HydrophobicContact CD2-CB 4.38Å; F42-D72 HydrophobicContact CE1-CB 3.79Å; F42-D72 WeakPolarHBondContact CE1-OD2 3.09Å; F42-D72 HydrophobicContact CE2-CB 3.63Å; F42-D72 WeakPolarHBondContact CE2-O 3.29Å; F42-D72 HydrophobicContact CZ-CB 3.3Å; K50-D72 IonicContact NZ-OD1 2.8Å; K50-D72 IonicContact NZ-OD2 3.7Å; K50-D72 PolarHBondContact NZ-OD2 2.78Å; Y51-D72 HydrophobicContact CE2-CB 4.23Å; Y51-D72 WeakPolarHBondContact OH-CB 3.14Å; Y51-D72 PolarHBondContact OH-OD2 2.93Å; K69-D72 HydrophobicContact CB-CB 4.36Å; K69-D72 WeakPolarHBondContact O-CB 3.03Å; K69-D72 PolarHBondContact O-N 3.1Å; K69-D72 VanDerWaalsContact O-N 3.16Å; L70-D72 VanDerWaalsContact C-N 3.34Å; D72-N75 PolarHBondContact O-N 3.48Å; D72-Y76 PolarHBondContact O-N 3.4Å
73	L	88.2	Confident	89.2	Confident	0 Å²	0	51.1 Å²	51.1	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-64.8	-41.3	174.9	-171.7	67.4	0	0	0	111.5	F35 F38 K69 L70 R71 N75 Y76 D77 T81 L84	F35-L73 HydrophobicContact CD1-CD1 4.32Å; F35-L73 HydrophobicContact CE1-CD1 4.21Å; F35-L73 HydrophobicContact CE1-CD2 4.24Å; F38-L73 HydrophobicContact CD1-CD1 3.87Å; F38-L73 HydrophobicContact CD2-CD1 4.06Å; F38-L73 HydrophobicContact CE1-CD1 3.95Å; F38-L73 HydrophobicContact CE2-CB 4.42Å; F38-L73 HydrophobicContact CE2-CD1 4.12Å; F38-L73 HydrophobicContact CG-CD1 3.92Å; F38-L73 HydrophobicContact CZ-CB 4.13Å; F38-L73 HydrophobicContact CZ-CD1 4.07Å; K69-L73 PolarHBondContact O-N 3.29Å; L70-L73 HydrophobicContact CD1-CD2 4.23Å; L70-L73 PolarHBondContact O-N 3.5Å; R71-L73 VanDerWaalsContact C-N 3.34Å; L73-N75 VanDerWaalsContact C-N 3.3Å; L73-N75 PolarHBondContact O-N 3.21Å; L73-Y76 PolarHBondContact O-N 2.94Å; L73-D77 CarbonylContact O-C 3.59Å; L73-D77 PolarHBondContact O-N 3.21Å; L73-D77 VanDerWaalsContact O-O 3.13Å; L73-T81 VanDerWaalsContact C-OG1 3.26Å; L73-T81 WeakPolarHBondContact CG-OG1 3.41Å; L73-T81 PolarHBondContact O-OG1 2.89Å; L73-L84 HydrophobicContact CD2-CD2 3.74Å
74	N	90.2	Very high	89.4	Confident	75 Å²	75	46.4 Å²	46.4	40%	0.401	23%	0.227	S	C	.	.	H	α-helix	trans	-64.1	-35.7	178.1	-167.8	50.4	0	0	0	112.6	L70 R71 S78 T81	L70-N74 WeakPolarHBondContact O-CB 3.05Å; L70-N74 PolarHBondContact O-N 3.47Å; R71-N74 PolarHBondContact O-N 3.07Å; N74-S78 PolarHBondContact O-N 2.98Å; N74-T81 VanDerWaalsContact CA-OG1 3.26Å; N74-T81 WeakPolarHBondContact CA-OG1 3.49Å; N74-T81 HydrophobicContact CB-CG2 4.1Å; N74-T81 PolarHBondContact N-OG1 3.48Å; N74-T81 VanDerWaalsContact N-OG1 3.17Å
75	N	88.5	Confident	89.5	Confident	110 Å²	110	46.4 Å²	46.4	59%	0.588	23%	0.229	S	C	*	.	H	α-helix	trans	-69.2	-34.3	176.6	-69.9	-12.1	0	0	0	112.3	R71 D72 L73	R71-N75 VanDerWaalsContact O-CG 3.23Å; R71-N75 PolarHBondContact O-N 3.27Å; R71-N75 PolarHBondContact O-OD1 3.21Å; D72-N75 PolarHBondContact O-N 3.48Å; L73-N75 VanDerWaalsContact C-N 3.3Å; L73-N75 PolarHBondContact O-N 3.21Å
76	Y	87.2	Confident	89.5	Confident	83 Å²	83	49.3 Å²	49.3	33%	0.325	24%	0.243	S	C	.	.	H	α-helix	trans	-78.5	-51.9	177.3	-175.1	-99.4	0	0	0	111.8	F38 Q41 D72 L73	F38-Y76 HydrophobicContact CB-CD1 3.97Å; F38-Y76 HydrophobicContact CB-CE1 3.98Å; F38-Y76 AromaticContact CD2-CD1 3.86Å; F38-Y76 HydrophobicContact CD2-CD1 3.86Å; F38-Y76 HydrophobicContact CD2-CD2 4.36Å; F38-Y76 AromaticContact CD2-CG 3.71Å; F38-Y76 HydrophobicContact CD2-CG 3.71Å; F38-Y76 HydrophobicContact CG-CD1 4.36Å; Q41-Y76 PolarHBondContact OE1-OH 2.87Å; D72-Y76 PolarHBondContact O-N 3.4Å; L73-Y76 PolarHBondContact O-N 2.94Å
77	D	88.8	Confident	89.4	Confident	24 Å²	24	55.4 Å²	55.4	13%	0.128	27%	0.266	C	S	.	.			trans	-148	105.8	177.9	-167.1	-16.7	0	0	0	111	K34 L73 S79 L80 T81	K34-D77 WeakPolarHBondContact CE-OD2 3.42Å; K34-D77 IonicContact NZ-OD2 2.76Å; K34-D77 PolarHBondContact NZ-OD2 3.34Å; L73-D77 CarbonylContact O-C 3.59Å; L73-D77 PolarHBondContact O-N 3.21Å; L73-D77 VanDerWaalsContact O-O 3.13Å; D77-S79 VanDerWaalsContact C-N 3.31Å; D77-S79 PolarHBondContact O-N 3.32Å; D77-S79 WeakPolarHBondContact OD1-CB 3.47Å; D77-S79 PolarHBondContact OD1-N 2.8Å; D77-S79 PolarHBondContact OD1-OG 3.27Å; D77-S79 PolarHBondContact OD2-OG 2.82Å; D77-L80 HydrophobicContact CB-CB 4.22Å; D77-L80 HydrophobicContact CB-CD1 4.03Å; D77-L80 HydrophobicContact CB-CG 4.26Å; D77-L80 PolarHBondContact OD1-N 2.96Å; D77-L80 WeakPolarHBondContact OD2-CG 3.5Å; D77-T81 PolarHBondContact O-N 2.88Å; D77-T81 PolarHBondContact O-OG1 3.31Å
78	S	89.7	Confident	89.4	Confident	64 Å²	64	54.2 Å²	54.2	45%	0.448	26%	0.259	S	S	.	.	H	α-helix	trans	-66.6	-32	177.5	56.6	0	0	0	0	112.6	N74 T81 Q82	N74-S78 PolarHBondContact O-N 2.98Å; S78-T81 PolarHBondContact O-N 2.99Å; S78-Q82 WeakPolarHBondContact O-CG 3.49Å; S78-Q82 PolarHBondContact O-N 3.46Å
79	S	90	Very high	89.1	Confident	58 Å²	58	57 Å²	57	41%	0.406	28%	0.278	S	S	.	.	H	α-helix	trans	-67.5	-44.9	-178.7	70.1	0	0	0	0	111.6	D77 T81 Q82 E83	D77-S79 VanDerWaalsContact C-N 3.31Å; D77-S79 PolarHBondContact O-N 3.32Å; D77-S79 WeakPolarHBondContact OD1-CB 3.47Å; D77-S79 PolarHBondContact OD1-N 2.8Å; D77-S79 PolarHBondContact OD1-OG 3.27Å; D77-S79 PolarHBondContact OD2-OG 2.82Å; S79-T81 VanDerWaalsContact C-N 3.28Å; S79-T81 PolarHBondContact O-N 2.74Å; S79-Q82 PolarHBondContact O-N 2.81Å; S79-E83 WeakPolarHBondContact O-CG 3.04Å; S79-E83 PolarHBondContact O-N 3.39Å
80	L	89	Confident	89	Confident	8 Å²	8	57.6 Å²	57.6	4%	0.042	29%	0.285	C	S	.	.	H	α-helix	trans	-63.1	-37.1	174.9	-76.8	177.8	0	0	0	112.3	A31 K34 F35 D77 E83 L84	A31-L80 HydrophobicContact CB-CD2 3.93Å; K34-L80 HydrophobicContact CB-CD1 3.54Å; K34-L80 HydrophobicContact CD-CD1 3.59Å; K34-L80 HydrophobicContact CD-CD2 4.35Å; K34-L80 HydrophobicContact CD-CG 4.09Å; K34-L80 HydrophobicContact CG-CD1 4.25Å; F35-L80 HydrophobicContact CE1-CD1 4.35Å; F35-L80 HydrophobicContact CZ-CD2 4.45Å; D77-L80 HydrophobicContact CB-CB 4.22Å; D77-L80 HydrophobicContact CB-CD1 4.03Å; D77-L80 HydrophobicContact CB-CG 4.26Å; D77-L80 PolarHBondContact OD1-N 2.96Å; D77-L80 WeakPolarHBondContact OD2-CG 3.5Å; L80-E83 PolarHBondContact O-N 3.23Å; L80-L84 VanDerWaalsContact O-CB 3.3Å; L80-L84 WeakPolarHBondContact O-CB 3.42Å; L80-L84 PolarHBondContact O-N 3.38Å
81	T	88.9	Confident	89.1	Confident	5 Å²	5	58.5 Å²	58.5	3%	0.031	29%	0.288	C	S	.	.	H	α-helix	trans	-65.7	-43	178.5	-57.3	0	0	0	0	111.2	L70 L73 N74 D77 S78 S79 L84 I85	L70-T81 HydrophobicContact CD1-CG2 4.06Å; L70-T81 HydrophobicContact CD2-CG2 4.23Å; L70-T81 HydrophobicContact CG-CG2 3.84Å; L73-T81 VanDerWaalsContact C-OG1 3.26Å; L73-T81 WeakPolarHBondContact CG-OG1 3.41Å; L73-T81 PolarHBondContact O-OG1 2.89Å; N74-T81 VanDerWaalsContact CA-OG1 3.26Å; N74-T81 WeakPolarHBondContact CA-OG1 3.49Å; N74-T81 HydrophobicContact CB-CG2 4.1Å; N74-T81 PolarHBondContact N-OG1 3.48Å; N74-T81 VanDerWaalsContact N-OG1 3.17Å; D77-T81 PolarHBondContact O-N 2.88Å; D77-T81 PolarHBondContact O-OG1 3.31Å; S78-T81 PolarHBondContact O-N 2.99Å; S79-T81 VanDerWaalsContact C-N 3.28Å; S79-T81 PolarHBondContact O-N 2.74Å; T81-L84 PolarHBondContact O-N 3.25Å; T81-I85 HydrophobicContact CG2-CD1 4.11Å; T81-I85 VanDerWaalsContact O-CG1 3.29Å; T81-I85 WeakPolarHBondContact O-CG1 3.18Å; T81-I85 PolarHBondContact O-N 3.03Å
82	Q	90.2	Very high	89.1	Confident	116 Å²	116	50.9 Å²	50.9	54%	0.542	26%	0.26	S	S	.	.	H	α-helix	trans	-62.9	-45	175.7	-72.9	-179.7	-11.8	0	0	112	S78 S79 L84 I85 H86	S78-Q82 WeakPolarHBondContact O-CG 3.49Å; S78-Q82 PolarHBondContact O-N 3.46Å; S79-Q82 PolarHBondContact O-N 2.81Å; Q82-L84 VanDerWaalsContact C-N 3.32Å; Q82-L84 PolarHBondContact O-N 2.92Å; Q82-I85 PolarHBondContact O-N 3.11Å; Q82-H86 PolarHBondContact O-CD2 3Å; Q82-H86 PolarHBondContact O-N 3.43Å
83	E	89.2	Confident	89	Confident	74 Å²	74	52.9 Å²	52.9	35%	0.346	27%	0.273	S	S	.	.	H	α-helix	trans	-62.1	-39.3	175.7	-72.3	-62.8	158.2	0	0	112.2	S79 L80 I85 H86 R87 Y91	S79-E83 WeakPolarHBondContact O-CG 3.04Å; S79-E83 PolarHBondContact O-N 3.39Å; L80-E83 PolarHBondContact O-N 3.23Å; E83-I85 VanDerWaalsContact C-N 3.32Å; E83-I85 PolarHBondContact O-N 3.18Å; E83-H86 PolarHBondContact O-N 3Å; E83-R87 PolarHBondContact O-N 3.48Å; E83-Y91 HydrophobicContact CB-CD2 4.46Å; E83-Y91 HydrophobicContact CB-CE1 4.16Å; E83-Y91 HydrophobicContact CB-CE2 3.83Å
84	L	90.5	Very high	89.1	Confident	2 Å²	2	53.4 Å²	53.4	1%	0.01	28%	0.277	C	S	.	.	H	α-helix	trans	-64.8	-35.2	175.6	-176.2	66.3	0	0	0	112.3	L70 L73 L80 T81 Q82 P88 F123	L70-L84 HydrophobicContact CD1-CD2 3.89Å; L73-L84 HydrophobicContact CD2-CD2 3.74Å; L80-L84 VanDerWaalsContact O-CB 3.3Å; L80-L84 WeakPolarHBondContact O-CB 3.42Å; L80-L84 PolarHBondContact O-N 3.38Å; T81-L84 PolarHBondContact O-N 3.25Å; Q82-L84 VanDerWaalsContact C-N 3.32Å; Q82-L84 PolarHBondContact O-N 2.92Å; L84-P88 VanDerWaalsContact O-CA 3.27Å; L84-P88 WeakPolarHBondContact O-CA 3.41Å; L84-P88 VanDerWaalsContact O-CB 3.32Å; L84-P88 WeakPolarHBondContact O-CB 2.99Å; L84-P88 VanDerWaalsContact O-CD 3.29Å; L84-P88 WeakPolarHBondContact O-CD 3.36Å; L84-F123 HydrophobicContact CD1-CZ 4.41Å; L84-F123 HydrophobicContact CD2-CE1 3.81Å; L84-F123 HydrophobicContact CD2-CZ 3.82Å
85	I	90.4	Very high	89.1	Confident	41 Å²	41	49.8 Å²	49.8	21%	0.21	26%	0.258	C	S	.	.	H	α-helix	trans	-70.4	-42.2	176.1	-68.8	164.4	0	0	0	111	L70 T81 Q82 E83 R142 L143	L70-I85 HydrophobicContact CD2-CD1 4.16Å; L70-I85 HydrophobicContact CD2-CG1 4.17Å; T81-I85 HydrophobicContact CG2-CD1 4.11Å; T81-I85 VanDerWaalsContact O-CG1 3.29Å; T81-I85 WeakPolarHBondContact O-CG1 3.18Å; T81-I85 PolarHBondContact O-N 3.03Å; Q82-I85 PolarHBondContact O-N 3.11Å; E83-I85 VanDerWaalsContact C-N 3.32Å; E83-I85 PolarHBondContact O-N 3.18Å; I85-R142 WeakPolarHBondContact O-CA 3.39Å; I85-L143 HydrophobicContact CG1-CD2 4.47Å; I85-L143 PolarHBondContact O-N 3.1Å
86	H	90.2	Very high	89.2	Confident	94 Å²	94	45.9 Å²	45.9	44%	0.435	24%	0.236	S	C	.	.	H	α-helix	trans	-77.4	-36.5	-178	-73.8	-54.2	0	0	0	113.8	Q82 E83 P88	Q82-H86 PolarHBondContact O-CD2 3Å; Q82-H86 PolarHBondContact O-N 3.43Å; E83-H86 PolarHBondContact O-N 3Å; H86-P88 VanDerWaalsContact C-CD 3.48Å
87	R	89.3	Confident	89.3	Confident	131 Å²	131	46.8 Å²	46.8	49%	0.494	24%	0.244	S	C	.	.			trans	-133.2	58.6	-177.4	-64.1	-174.2	-175.4	152.9	3.7	112.7	E83 S89 D90 Y91	E83-R87 PolarHBondContact O-N 3.48Å; R87-S89 PolarHBondContact O-N 2.96Å; R87-S89 VanDerWaalsContact O-N 3.13Å; R87-D90 PolarHBondContact O-N 2.68Å; R87-Y91 HydrophobicContact CB-CD2 4.12Å; R87-Y91 HydrophobicContact CB-CE2 4.21Å; R87-Y91 WeakPolarHBondContact O-CD2 3.3Å; R87-Y91 PolarHBondContact O-N 3.27Å
88	P	90.2	Very high	89.4	Confident	2 Å²	2	45.7 Å²	45.7	1%	0.013	24%	0.238	C	C	.	.	H	α-helix	trans	-60.2	-27.2	-178.9	24.2	-35	0	0	0	113.7	L84 H86 D90 L92 S141 V266	L84-P88 VanDerWaalsContact O-CA 3.27Å; L84-P88 WeakPolarHBondContact O-CA 3.41Å; L84-P88 VanDerWaalsContact O-CB 3.32Å; L84-P88 WeakPolarHBondContact O-CB 2.99Å; L84-P88 VanDerWaalsContact O-CD 3.29Å; L84-P88 WeakPolarHBondContact O-CD 3.36Å; H86-P88 VanDerWaalsContact C-CD 3.48Å; P88-D90 VanDerWaalsContact C-N 3.31Å; P88-D90 PolarHBondContact O-N 2.88Å; P88-L92 WeakPolarHBondContact O-CB 3.48Å; P88-L92 PolarHBondContact O-N 2.82Å; P88-L92 VanDerWaalsContact O-N 3.09Å; P88-S141 WeakPolarHBondContact CD-O 3.47Å; P88-S141 WeakPolarHBondContact CG-O 3.48Å; P88-V266 HydrophobicContact CB-CG2 3.7Å; P88-V266 HydrophobicContact CG-CB 4.31Å; P88-V266 HydrophobicContact CG-CG1 3.82Å; P88-V266 HydrophobicContact CG-CG2 3.5Å
89	S	85.4	Confident	89.4	Confident	58 Å²	58	42.7 Å²	42.7	41%	0.406	22%	0.217	S	C	.	.	H	α-helix	trans	-62.8	-35.1	-177.7	56.8	0	0	0	0	113.9	R87 P93	R87-S89 PolarHBondContact O-N 2.96Å; R87-S89 VanDerWaalsContact O-N 3.13Å; S89-P93 WeakPolarHBondContact O-CD 3.48Å; S89-P93 WeakPolarHBondContact O-CG 3.3Å
90	D	86.7	Confident	89.4	Confident	84 Å²	84	40.9 Å²	40.9	45%	0.449	20%	0.203	S	C	.	.	H	α-helix	trans	-95.5	-38.5	-170.9	-58.5	-10.5	0	0	0	110.7	L28 R87 P88	L28-D90 HydrophobicContact CD2-CB 4.19Å; R87-D90 PolarHBondContact O-N 2.68Å; P88-D90 VanDerWaalsContact C-N 3.31Å; P88-D90 PolarHBondContact O-N 2.88Å
91	Y	89.7	Confident	89.4	Confident	24 Å²	24	43.8 Å²	43.8	9%	0.094	22%	0.217	C	C	.	.	H	α-helix	trans	-76.5	-28.4	178.7	-74.2	-91.3	0	0	0	113.1	A31 F35 E83 R87 A94 F95	A31-Y91 HydrophobicContact CB-CD1 3.8Å; A31-Y91 HydrophobicContact CB-CE1 3.53Å; F35-Y91 HydrophobicContact CE2-CD1 4Å; F35-Y91 HydrophobicContact CZ-CD1 4.17Å; E83-Y91 HydrophobicContact CB-CD2 4.46Å; E83-Y91 HydrophobicContact CB-CE1 4.16Å; E83-Y91 HydrophobicContact CB-CE2 3.83Å; R87-Y91 HydrophobicContact CB-CD2 4.12Å; R87-Y91 HydrophobicContact CB-CE2 4.21Å; R87-Y91 WeakPolarHBondContact O-CD2 3.3Å; R87-Y91 PolarHBondContact O-N 3.27Å; Y91-A94 PolarHBondContact O-N 3.34Å; Y91-F95 WeakPolarHBondContact O-CB 3.18Å; Y91-F95 PolarHBondContact O-N 3.4Å
92	L	89.6	Confident	89.4	Confident	3 Å²	3	43.7 Å²	43.7	2%	0.016	22%	0.216	C	C	.	.	H	α-helix	trans	-65.6	-47.2	-178.7	-177.3	150.6	0	0	0	113.7	P88 A94 F95 E96 F123 L296	P88-L92 WeakPolarHBondContact O-CB 3.48Å; P88-L92 PolarHBondContact O-N 2.82Å; P88-L92 VanDerWaalsContact O-N 3.09Å; L92-A94 VanDerWaalsContact C-N 3.3Å; L92-A94 PolarHBondContact O-N 3.13Å; L92-F95 PolarHBondContact O-N 3.48Å; L92-F95 VanDerWaalsContact O-N 3.12Å; L92-E96 HydrophobicContact CD2-CG 4.17Å; L92-E96 PolarHBondContact O-N 3.27Å; L92-F123 HydrophobicContact CD1-CE2 4.08Å; L92-L296 HydrophobicContact CD1-CD1 3.52Å; L92-L296 HydrophobicContact CD1-CD2 3.37Å; L92-L296 HydrophobicContact CD1-CG 4.01Å
93	P	87.8	Confident	89.2	Confident	54 Å²	54	38.1 Å²	38.1	35%	0.351	19%	0.19	S	C	.	.	H	α-helix	trans	-58.5	-41.5	172.8	-25.1	34.6	0	0	0	112.5	S89 F95 E96 E97	S89-P93 WeakPolarHBondContact O-CD 3.48Å; S89-P93 WeakPolarHBondContact O-CG 3.3Å; P93-F95 PolarHBondContact O-N 2.82Å; P93-E96 PolarHBondContact O-N 3.4Å; P93-E97 WeakPolarHBondContact O-CG 3.36Å; P93-E97 PolarHBondContact O-N 3.48Å
94	A	89	Confident	89	Confident	11 Å²	11	36.5 Å²	36.5	9%	0.091	18%	0.184	C	C	.	.	H	α-helix	trans	-61.4	-35.5	176.1	0	0	0	0	0	111.9	Y91 L92 A98	Y91-A94 PolarHBondContact O-N 3.34Å; L92-A94 VanDerWaalsContact C-N 3.3Å; L92-A94 PolarHBondContact O-N 3.13Å; A94-A98 WeakPolarHBondContact O-CB 3.46Å; A94-A98 PolarHBondContact O-N 2.98Å
95	F	91.4	Very high	88.7	Confident	0 Å²	0	40.5 Å²	40.5	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-73.5	-43.4	176.3	-164.2	-174.1	0	0	0	112.5	F35 F38 V39 V68 Y91 L92 P93 E97 A98 V99 V121 F123	F35-F95 HydrophobicContact CB-CD2 3.74Å; F35-F95 HydrophobicContact CB-CE2 4.06Å; F35-F95 HydrophobicContact CB-CG 4.46Å; F35-F95 HydrophobicContact CD1-CD1 4.4Å; F35-F95 HydrophobicContact CD1-CD2 4.1Å; F35-F95 HydrophobicContact CD1-CE2 4.22Å; F35-F95 HydrophobicContact CD1-CG 4.2Å; F35-F95 HydrophobicContact CD1-CZ 4.44Å; F35-F95 HydrophobicContact CD2-CB 4.09Å; F35-F95 HydrophobicContact CD2-CD2 4.4Å; F35-F95 HydrophobicContact CD2-CG 4.31Å; F35-F95 HydrophobicContact CE1-CD1 4.46Å; F35-F95 HydrophobicContact CE2-CB 4.28Å; F35-F95 HydrophobicContact CG-CB 4.37Å; F35-F95 AromaticContact CG-CD2 3.85Å; F35-F95 HydrophobicContact CG-CD2 3.85Å; F35-F95 HydrophobicContact CG-CE2 4.31Å; F35-F95 HydrophobicContact CG-CG 4.09Å; F38-F95 HydrophobicContact CD1-CZ 4.39Å; F38-F95 HydrophobicContact CE1-CZ 4.41Å; V39-F95 HydrophobicContact CG2-CE2 3.81Å; V39-F95 HydrophobicContact CG2-CZ 4.43Å; V68-F95 HydrophobicContact CG1-CE1 4.4Å; V68-F95 HydrophobicContact CG1-CZ 4.35Å; V68-F95 HydrophobicContact CG2-CE1 4.31Å; V68-F95 HydrophobicContact CG2-CZ 4.03Å; Y91-F95 WeakPolarHBondContact O-CB 3.18Å; Y91-F95 PolarHBondContact O-N 3.4Å; L92-F95 PolarHBondContact O-N 3.48Å; L92-F95 VanDerWaalsContact O-N 3.12Å; P93-F95 PolarHBondContact O-N 2.82Å; F95-E97 VanDerWaalsContact C-N 3.27Å; F95-E97 PolarHBondContact O-N 2.85Å; F95-A98 PolarHBondContact O-N 2.92Å; F95-A98 VanDerWaalsContact O-N 3.16Å; F95-V99 HydrophobicContact CD2-CG2 3.79Å; F95-V99 HydrophobicContact CE2-CG2 3.66Å; F95-V99 WeakPolarHBondContact O-CG2 2.88Å; F95-V99 PolarHBondContact O-N 2.96Å; F95-V121 HydrophobicContact CD1-CG1 3.85Å; F95-V121 HydrophobicContact CD1-CG2 4.4Å; F95-V121 HydrophobicContact CE1-CG1 3.75Å; F95-V121 HydrophobicContact CG-CG2 4.29Å; F95-V121 HydrophobicContact CZ-CG1 4.37Å; F95-F123 HydrophobicContact CD1-CE1 4.18Å; F95-F123 AromaticContact CD1-CZ 3.93Å; F95-F123 HydrophobicContact CD1-CZ 3.93Å; F95-F123 AromaticContact CE1-CE1 3.89Å; F95-F123 HydrophobicContact CE1-CE1 3.89Å; F95-F123 HydrophobicContact CE1-CZ 4.11Å
96	E	90.7	Very high	88.3	Confident	27 Å²	27	41.2 Å²	41.2	13%	0.126	21%	0.206	C	C	.	.	H	α-helix	trans	-58.2	-40.5	173.9	-71.6	-166.9	174.3	0	0	111.5	L92 P93 T100 A119 V121 R249	L92-E96 HydrophobicContact CD2-CG 4.17Å; L92-E96 PolarHBondContact O-N 3.27Å; P93-E96 PolarHBondContact O-N 3.4Å; E96-T100 WeakPolarHBondContact O-CB 2.96Å; E96-T100 PolarHBondContact O-N 3.29Å; E96-T100 PolarHBondContact O-OG1 2.87Å; E96-A119 WeakPolarHBondContact CG-O 3.03Å; E96-V121 HydrophobicContact CG-CB 4.45Å; E96-V121 HydrophobicContact CG-CG2 4.07Å; E96-R249 IonicContact OE1-NH1 3.48Å; E96-R249 IonicContact OE2-CZ 2.8Å; E96-R249 IonicContact OE2-NH1 3.87Å; E96-R249 PolarHBondContact OE2-NH1 2.91Å; E96-R249 IonicContact OE2-NH2 2.74Å; E96-R249 PolarHBondContact OE2-NH2 2.82Å
97	E	89.1	Confident	87.7	Confident	103 Å²	103	40.3 Å²	40.3	48%	0.481	21%	0.207	S	C	.	.	H	α-helix	trans	-63.9	-45.7	173.9	-73.9	-176.2	-168	0	0	112.4	K32 P93 F95 V99 T100 E101	K32-E97 IonicContact NZ-OE2 3.47Å; K32-E97 PolarHBondContact NZ-OE2 2.81Å; P93-E97 WeakPolarHBondContact O-CG 3.36Å; P93-E97 PolarHBondContact O-N 3.48Å; F95-E97 VanDerWaalsContact C-N 3.27Å; F95-E97 PolarHBondContact O-N 2.85Å; E97-V99 VanDerWaalsContact C-N 3.34Å; E97-V99 PolarHBondContact O-N 3.37Å; E97-T100 PolarHBondContact O-N 2.92Å; E97-E101 WeakPolarHBondContact O-CG 3.13Å; E97-E101 PolarHBondContact O-N 3.42Å
98	A	90.6	Very high	86.6	Confident	0 Å²	0	44 Å²	44	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-59.8	-44.1	177.8	0	0	0	0	0	111.8	K32 F35 K36 A94 F95 E101 V102	K32-A98 HydrophobicContact CG-CB 4.12Å; F35-A98 HydrophobicContact CB-CB 3.95Å; K36-A98 HydrophobicContact CB-CB 4.34Å; A94-A98 WeakPolarHBondContact O-CB 3.46Å; A94-A98 PolarHBondContact O-N 2.98Å; F95-A98 PolarHBondContact O-N 2.92Å; F95-A98 VanDerWaalsContact O-N 3.16Å; A98-E101 PolarHBondContact O-N 3.35Å; A98-V102 WeakPolarHBondContact O-CG2 3.43Å; A98-V102 PolarHBondContact O-N 3.09Å; A98-V102 VanDerWaalsContact O-N 3.08Å
99	V	90.5	Very high	85	Confident	1 Å²	1	48 Å²	48	1%	0.006	25%	0.249	C	C	.	.	H	α-helix	trans	-65.5	-41.4	177.5	173.2	0	0	0	0	111.1	V39 I55 I66 F95 E97 E101 V102 A103 A119 V121	V39-V99 HydrophobicContact CG2-CG2 4.16Å; I55-V99 HydrophobicContact CD1-CG1 4.16Å; I66-V99 HydrophobicContact CG2-CG1 4.1Å; I66-V99 HydrophobicContact CG2-CG2 4.39Å; F95-V99 HydrophobicContact CD2-CG2 3.79Å; F95-V99 HydrophobicContact CE2-CG2 3.66Å; F95-V99 WeakPolarHBondContact O-CG2 2.88Å; F95-V99 PolarHBondContact O-N 2.96Å; E97-V99 VanDerWaalsContact C-N 3.34Å; E97-V99 PolarHBondContact O-N 3.37Å; V99-E101 VanDerWaalsContact C-N 3.34Å; V99-E101 PolarHBondContact O-N 3.33Å; V99-V102 PolarHBondContact O-N 2.89Å; V99-A103 WeakPolarHBondContact O-CB 3.08Å; V99-A103 PolarHBondContact O-N 3Å; V99-A119 HydrophobicContact CB-CB 4.37Å; V99-A119 HydrophobicContact CG1-CB 3.68Å; V99-V121 HydrophobicContact CB-CG2 4.41Å; V99-V121 HydrophobicContact CG2-CG2 3.88Å
100	T	88.6	Confident	83.6	Confident	20 Å²	20	52.8 Å²	52.8	12%	0.123	27%	0.27	C	S	.	.	H	α-helix	trans	-63.2	-41.6	178.1	-56.3	0	0	0	0	110.9	E96 E97 A103 N104 A119	E96-T100 WeakPolarHBondContact O-CB 2.96Å; E96-T100 PolarHBondContact O-N 3.29Å; E96-T100 PolarHBondContact O-OG1 2.87Å; E97-T100 PolarHBondContact O-N 2.92Å; T100-A103 PolarHBondContact O-N 3.42Å; T100-N104 PolarHBondContact O-N 2.9Å; T100-N104 PolarHBondContact O-ND2 3.42Å; T100-A119 PolarHBondContact OG1-N 3.03Å
101	E	89.5	Confident	82.2	Confident	69 Å²	69	55.1 Å²	55.1	32%	0.322	28%	0.283	S	S	.	.	H	α-helix	trans	-61.4	-46.2	173.8	-74.7	-179.8	-158.5	0	0	112.7	K32 K36 E97 A98 V99 A103 N104 E105	K32-E101 WeakPolarHBondContact CE-OE1 3.01Å; K32-E101 IonicContact NZ-OE1 3.52Å; K32-E101 PolarHBondContact NZ-OE1 2.77Å; K36-E101 IonicContact NZ-OE2 3.16Å; K36-E101 PolarHBondContact NZ-OE2 2.88Å; E97-E101 WeakPolarHBondContact O-CG 3.13Å; E97-E101 PolarHBondContact O-N 3.42Å; A98-E101 PolarHBondContact O-N 3.35Å; V99-E101 VanDerWaalsContact C-N 3.34Å; V99-E101 PolarHBondContact O-N 3.33Å; E101-A103 VanDerWaalsContact C-N 3.35Å; E101-N104 PolarHBondContact O-N 3.1Å; E101-E105 VanDerWaalsContact O-CG 3.31Å; E101-E105 WeakPolarHBondContact O-CG 3.44Å; E101-E105 PolarHBondContact O-N 3.41Å; E101-E105 VanDerWaalsContact O-N 3.1Å
102	V	88.1	Confident	80.3	Confident	3 Å²	3	63.5 Å²	63.5	2%	0.018	32%	0.323	C	S	.	.	H	α-helix	trans	-64.1	-41.9	178.3	175.3	0	0	0	0	111.1	K36 V39 R40 I55 A98 V99 N104 E105 L106	K36-V102 HydrophobicContact CB-CG2 4.44Å; K36-V102 HydrophobicContact CD-CG2 4.47Å; K36-V102 HydrophobicContact CG-CG2 3.65Å; V39-V102 HydrophobicContact CG1-CB 4.43Å; V39-V102 HydrophobicContact CG1-CG1 3.99Å; R40-V102 HydrophobicContact CG-CG1 4.28Å; R40-V102 HydrophobicContact CG-CG2 4.31Å; I55-V102 HydrophobicContact CD1-CG1 4.43Å; A98-V102 WeakPolarHBondContact O-CG2 3.43Å; A98-V102 PolarHBondContact O-N 3.09Å; A98-V102 VanDerWaalsContact O-N 3.08Å; V99-V102 PolarHBondContact O-N 2.89Å; V102-N104 VanDerWaalsContact C-N 3.33Å; V102-N104 PolarHBondContact O-N 2.89Å; V102-E105 PolarHBondContact O-N 2.83Å; V102-L106 HydrophobicContact CG1-CD1 3.8Å; V102-L106 HydrophobicContact CG1-CG 4.32Å; V102-L106 VanDerWaalsContact O-CG 3.28Å; V102-L106 WeakPolarHBondContact O-CG 3.15Å; V102-L106 PolarHBondContact O-N 2.74Å
103	A	86.6	Confident	78.5	Confident	0 Å²	0	72 Å²	72	0%	0	36%	0.363	C	S	.	.	H	α-helix	trans	-62.3	-41.8	177.8	0	0	0	0	0	111.8	I55 Y59 V99 T100 E101 E105 L106 V107	I55-A103 HydrophobicContact CG2-CB 3.69Å; Y59-A103 HydrophobicContact CD1-CB 4.33Å; Y59-A103 HydrophobicContact CD2-CB 4.15Å; Y59-A103 HydrophobicContact CE1-CB 3.71Å; Y59-A103 HydrophobicContact CE2-CB 3.49Å; Y59-A103 VanDerWaalsContact CE2-CB 3.49Å; Y59-A103 VanDerWaalsContact OH-CB 3.31Å; Y59-A103 WeakPolarHBondContact OH-CB 3.37Å; V99-A103 WeakPolarHBondContact O-CB 3.08Å; V99-A103 PolarHBondContact O-N 3Å; T100-A103 PolarHBondContact O-N 3.42Å; E101-A103 VanDerWaalsContact C-N 3.35Å; A103-E105 VanDerWaalsContact C-N 3.33Å; A103-E105 PolarHBondContact O-N 2.87Å; A103-L106 PolarHBondContact O-N 3.49Å; A103-V107 WeakPolarHBondContact O-CB 3.34Å; A103-V107 WeakPolarHBondContact O-CG2 3.49Å; A103-V107 PolarHBondContact O-N 3.06Å
104	N	84.6	Confident	76.7	Confident	40 Å²	40	73.8 Å²	73.8	21%	0.214	38%	0.376	C	S	.	.	H	α-helix	trans	-61.3	-41.7	175.5	-68.9	-28.4	0	0	0	112.3	T100 E101 V102 L106 R108 T116	T100-N104 PolarHBondContact O-N 2.9Å; T100-N104 PolarHBondContact O-ND2 3.42Å; E101-N104 PolarHBondContact O-N 3.1Å; V102-N104 VanDerWaalsContact C-N 3.33Å; V102-N104 PolarHBondContact O-N 2.89Å; N104-L106 VanDerWaalsContact C-N 3.31Å; N104-L106 PolarHBondContact O-N 3.12Å; N104-R108 WeakPolarHBondContact O-CB 3.35Å; N104-R108 WeakPolarHBondContact O-CD 3.42Å; N104-R108 WeakPolarHBondContact O-CG 3.28Å; N104-R108 PolarHBondContact O-N 2.93Å; N104-T116 VanDerWaalsContact CG-CG2 3.4Å; N104-T116 WeakPolarHBondContact ND2-CG2 3.4Å; N104-T116 WeakPolarHBondContact OD1-CG2 3.22Å
105	E	85.5	Confident	75.2	Confident	85 Å²	85	81.8 Å²	81.8	40%	0.397	41%	0.411	S	S	.	.	H	α-helix	trans	-65.9	-34.8	177.5	-67.8	162.4	166.7	0	0	112.3	K36 R40 E101 V102 A103	K36-E105 VanDerWaalsContact CE-OE1 3.27Å; K36-E105 WeakPolarHBondContact CE-OE1 3.43Å; K36-E105 IonicContact NZ-OE1 3.73Å; K36-E105 PolarHBondContact NZ-OE1 3.49Å; K36-E105 IonicContact NZ-OE2 3.31Å; R40-E105 IonicContact CZ-OE2 3.21Å; R40-E105 IonicContact NE-OE2 2.67Å; R40-E105 IonicContact NH2-OE1 4Å; R40-E105 PolarHBondContact NH2-OE1 3.35Å; R40-E105 IonicContact NH2-OE2 2.64Å; R40-E105 PolarHBondContact NH2-OE2 2.9Å; E101-E105 VanDerWaalsContact O-CG 3.31Å; E101-E105 WeakPolarHBondContact O-CG 3.44Å; E101-E105 PolarHBondContact O-N 3.41Å; E101-E105 VanDerWaalsContact O-N 3.1Å; V102-E105 PolarHBondContact O-N 2.83Å; A103-E105 VanDerWaalsContact C-N 3.33Å; A103-E105 PolarHBondContact O-N 2.87Å
106	L	82.2	Confident	73.9	Confident	56 Å²	56	86.2 Å²	86.2	29%	0.293	44%	0.438	S	S	.	.	H	α-helix	trans	-77.6	-32.2	179.6	-68.8	169.9	0	0	0	113.4	R52 I55 V102 A103 N104	R52-L106 HydrophobicContact CG-CD1 3.81Å; R52-L106 HydrophobicContact CG-CD2 3.92Å; I55-L106 HydrophobicContact CG2-CD1 4.12Å; V102-L106 HydrophobicContact CG1-CD1 3.8Å; V102-L106 HydrophobicContact CG1-CG 4.32Å; V102-L106 VanDerWaalsContact O-CG 3.28Å; V102-L106 WeakPolarHBondContact O-CG 3.15Å; V102-L106 PolarHBondContact O-N 2.74Å; A103-L106 PolarHBondContact O-N 3.49Å; N104-L106 VanDerWaalsContact C-N 3.31Å; N104-L106 PolarHBondContact O-N 3.12Å
107	V	75.8	Confident	73.1	Confident	75 Å²	75	89.9 Å²	89.9	46%	0.455	46%	0.455	S	S	.	.	H	α-helix	trans	-94.5	-18.9	-176	177.6	0	0	0	0	112.4	Y59 A103 S109	Y59-V107 HydrophobicContact CD1-CG2 4.16Å; Y59-V107 HydrophobicContact CG-CG2 4.3Å; A103-V107 WeakPolarHBondContact O-CB 3.34Å; A103-V107 WeakPolarHBondContact O-CG2 3.49Å; A103-V107 PolarHBondContact O-N 3.06Å; V107-S109 PolarHBondContact O-N 3.37Å
108	R	67.6	Low	72.6	Confident	209 Å²	209	87.9 Å²	87.9	79%	0.789	45%	0.453	S	S	*	.			trans	-65.8	73.3	175.4	-85.9	174.1	167.9	-177.2	-4.2	112.2	N104	N104-R108 WeakPolarHBondContact O-CB 3.35Å; N104-R108 WeakPolarHBondContact O-CD 3.42Å; N104-R108 WeakPolarHBondContact O-CG 3.28Å; N104-R108 PolarHBondContact O-N 2.93Å
109	S	56.3	Low	72.3	Confident	86 Å²	86	88 Å²	88	60%	0.601	45%	0.453	S	S	*	.	S	Bend	trans	-124.6	97.7	157.9	56.1	0	0	0	0	106.4	V107	V107-S109 PolarHBondContact O-N 3.37Å
110	N	56	Low	72.3	Confident	158 Å²	158	88.4 Å²	88.4	85%	0.845	46%	0.456	S	S	*	.	S	Bend	trans	87.1	-15	160	-58.2	-13.8	0	0	0	122.7
111	D	56.9	Low	72.4	Confident	134 Å²	134	87.6 Å²	87.6	72%	0.717	45%	0.451	S	S	*	.			trans	-106.5	99.5	179	-68.1	-25.6	0	0	0	112.5	E113	D111-E113 VanDerWaalsContact C-N 3.27Å; D111-E113 PolarHBondContact O-N 3.02Å
112	E	50.3	Low	72.5	Confident	199 Å²	199	84.5 Å²	84.5	93%	0.93	44%	0.436	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.5	-0.6	-172	-72.2	-163.1	138.4	0	0	116.2
113	E	50.6	Low	72.7	Confident	183 Å²	183	84.6 Å²	84.6	86%	0.855	44%	0.436	S	S	*	.	T	Hydrogen-bonded Turn	trans	-135.1	19.8	-170.3	-66.7	-170.9	156.1	0	0	116.1	D111 H115	D111-E113 VanDerWaalsContact C-N 3.27Å; D111-E113 PolarHBondContact O-N 3.02Å; E113-H115 PolarHBondContact O-N 3.44Å
114	S	51.3	Low	72.7	Confident	91 Å²	91	87.9 Å²	87.9	64%	0.636	45%	0.452	S	S	*	.			trans	-74.9	112.9	175.6	-55.1	0	0	0	0	110.9	T116	S114-T116 PolarHBondContact O-N 2.93Å
115	H	58	Low	72.7	Confident	179 Å²	179	89 Å²	89	83%	0.829	45%	0.453	S	S	*	.			trans	-46.9	125.7	168.5	-77.3	-76.5	0	0	0	110.3	E113 E117	E113-H115 PolarHBondContact O-N 3.44Å; H115-E117 PolarHBondContact O-N 2.82Å
116	T	64.2	Low	72.4	Confident	92 Å²	92	87.1 Å²	87.1	56%	0.564	45%	0.446	S	S	*	.			trans	-74.8	96.7	-176.8	9.1	0	0	0	0	109.8	N104 S114	N104-T116 VanDerWaalsContact CG-CG2 3.4Å; N104-T116 WeakPolarHBondContact ND2-CG2 3.4Å; N104-T116 WeakPolarHBondContact OD1-CG2 3.22Å; S114-T116 PolarHBondContact O-N 2.93Å
117	E	72.4	Confident	72.4	Confident	104 Å²	104	85.5 Å²	85.5	49%	0.486	44%	0.439	S	S	.	.	P	Polyproline II helix	trans	-69.4	136.1	172.3	-64.3	-162.7	-158.2	0	0	110.2	Y64 H115 A119	Y64-E117 HydrophobicContact CD1-CB 4.17Å; Y64-E117 HydrophobicContact CD2-CB 4.09Å; Y64-E117 WeakPolarHBondContact CD2-OE2 3.35Å; Y64-E117 HydrophobicContact CE1-CB 4.22Å; Y64-E117 HydrophobicContact CE2-CB 4.21Å; Y64-E117 HydrophobicContact CE2-CG 4.22Å; Y64-E117 WeakPolarHBondContact CE2-OE2 3.4Å; Y64-E117 HydrophobicContact CG-CB 4.09Å; H115-E117 PolarHBondContact O-N 2.82Å; E117-A119 PolarHBondContact O-N 3.18Å
118	S	78.8	Confident	72.6	Confident	62 Å²	62	87.2 Å²	87.2	43%	0.434	45%	0.446	S	S	.	.	P	Polyproline II helix	trans	-72.2	121.3	179.7	56.3	0	0	0	0	110.6
119	A	84.5	Confident	73.4	Confident	1 Å²	1	78 Å²	78	1%	0.008	42%	0.415	C	S	.	.	P	Polyproline II helix	trans	-66.1	133.7	172.6	0	0	0	0	0	111.2	Y64 E96 V99 T100 E117	Y64-A119 WeakPolarHBondContact O-CA 3.14Å; E96-A119 WeakPolarHBondContact CG-O 3.03Å; V99-A119 HydrophobicContact CB-CB 4.37Å; V99-A119 HydrophobicContact CG1-CB 3.68Å; T100-A119 PolarHBondContact OG1-N 3.03Å; E117-A119 PolarHBondContact O-N 3.18Å
120	Q	89.7	Confident	74.8	Confident	11 Å²	11	76.8 Å²	76.8	5%	0.051	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	126	168.8	-173.6	176.9	17.7	0	0	110.1	Y64 F65 I66 L122 D248	Y64-Q120 PolarHBondContact O-N 3.16Å; F65-Q120 CarbonylContact C-O 3.5Å; F65-Q120 WeakPolarHBondContact CA-O 3.4Å; F65-Q120 HydrophobicContact CB-CB 4.31Å; I66-Q120 PolarHBondContact N-O 3.36Å; Q120-L122 HydrophobicContact CG-CD2 4.04Å; Q120-D248 PolarHBondContact NE2-O 3.19Å
121	V	91.8	Very high	76.1	Confident	3 Å²	3	70.6 Å²	70.6	2%	0.018	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	123.1	172.5	-179.6	0	0	0	0	109.1	I66 V68 F95 E96 V99 F123	I66-V121 HydrophobicContact CG2-CB 4.25Å; I66-V121 HydrophobicContact CG2-CG1 4.26Å; I66-V121 HydrophobicContact CG2-CG2 3.87Å; V68-V121 HydrophobicContact CG2-CG1 4.04Å; F95-V121 HydrophobicContact CD1-CG1 3.85Å; F95-V121 HydrophobicContact CD1-CG2 4.4Å; F95-V121 HydrophobicContact CE1-CG1 3.75Å; F95-V121 HydrophobicContact CG-CG2 4.29Å; F95-V121 HydrophobicContact CZ-CG1 4.37Å; E96-V121 HydrophobicContact CG-CB 4.45Å; E96-V121 HydrophobicContact CG-CG2 4.07Å; V99-V121 HydrophobicContact CB-CG2 4.41Å; V99-V121 HydrophobicContact CG2-CG2 3.88Å; V121-F123 HydrophobicContact CG1-CE1 3.99Å; V121-F123 HydrophobicContact CG1-CE2 4.26Å; V121-F123 HydrophobicContact CG1-CZ 3.8Å
122	L	92.4	Very high	77.5	Confident	4 Å²	4	65 Å²	65	2%	0.021	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	143.7	174.2	-57.4	176.3	0	0	0	110.1	F65 I66 V67 V68 Q120 L251 L296	F65-L122 HydrophobicContact CB-CD1 4.25Å; F65-L122 HydrophobicContact CD2-CD1 3.77Å; F65-L122 HydrophobicContact CE2-CD1 4.46Å; F65-L122 HydrophobicContact CG-CD1 4.19Å; I66-L122 WeakPolarHBondContact O-CB 3.49Å; I66-L122 PolarHBondContact O-N 2.71Å; V67-L122 WeakPolarHBondContact CA-O 3.39Å; V67-L122 HydrophobicContact CG2-CB 4.32Å; V67-L122 HydrophobicContact CG2-CD1 4.27Å; V68-L122 PolarHBondContact N-O 2.95Å; Q120-L122 HydrophobicContact CG-CD2 4.04Å; L122-L251 HydrophobicContact CD1-CD2 4.4Å; L122-L251 HydrophobicContact CD2-CD1 3.9Å; L122-L251 HydrophobicContact CD2-CD2 3.92Å; L122-L251 HydrophobicContact CD2-CG 3.9Å; L122-L296 WeakPolarHBondContact CA-O 3.43Å; L122-L296 VanDerWaalsContact CD2-O 3.22Å; L122-L296 WeakPolarHBondContact CD2-O 3.36Å
123	F	90.5	Very high	79.3	Confident	5 Å²	5	57.4 Å²	57.4	2%	0.022	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	133.4	179.9	-64.9	-70.9	0	0	0	112.8	V68 L70 L84 L92 F95 V121 V264 L296 G297	V68-F123 HydrophobicContact CB-CD1 4.32Å; V68-F123 HydrophobicContact CB-CE1 4.47Å; V68-F123 WeakPolarHBondContact O-CA 3.27Å; L70-F123 HydrophobicContact CD1-CD1 4.44Å; L84-F123 HydrophobicContact CD1-CZ 4.41Å; L84-F123 HydrophobicContact CD2-CE1 3.81Å; L84-F123 HydrophobicContact CD2-CZ 3.82Å; L92-F123 HydrophobicContact CD1-CE2 4.08Å; F95-F123 HydrophobicContact CD1-CE1 4.18Å; F95-F123 AromaticContact CD1-CZ 3.93Å; F95-F123 HydrophobicContact CD1-CZ 3.93Å; F95-F123 AromaticContact CE1-CE1 3.89Å; F95-F123 HydrophobicContact CE1-CE1 3.89Å; F95-F123 HydrophobicContact CE1-CZ 4.11Å; V121-F123 HydrophobicContact CG1-CE1 3.99Å; V121-F123 HydrophobicContact CG1-CE2 4.26Å; V121-F123 HydrophobicContact CG1-CZ 3.8Å; F123-V264 HydrophobicContact CB-CG1 4.24Å; F123-L296 HydrophobicContact CD2-CB 3.92Å; F123-L296 HydrophobicContact CD2-CD1 4.14Å; F123-L296 HydrophobicContact CE2-CD1 4.22Å; F123-L296 PolarHBondContact N-O 3.24Å; F123-G297 WeakPolarHBondContact O-CA 3.31Å
124	E	87	Confident	81	Confident	69 Å²	69	53.1 Å²	53.1	32%	0.322	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	122.6	161.3	-77.8	178	-177.3	0	0	108.2	V67 V68 K69 L70	V67-E124 HydrophobicContact CG1-CB 4.45Å; V67-E124 HydrophobicContact CG1-CG 3.65Å; V67-E124 WeakPolarHBondContact CG1-OE1 3.32Å; V68-E124 PolarHBondContact O-N 2.92Å; K69-E124 WeakPolarHBondContact CA-O 3.34Å; K69-E124 WeakPolarHBondContact CE-OE2 3.38Å; K69-E124 HydrophobicContact CG-CB 4.21Å; L70-E124 PolarHBondContact N-O 3.16Å
125	W	85.8	Confident	82.7	Confident	62 Å²	62	49.5 Å²	49.5	24%	0.235	26%	0.262	C	S	.	.			trans	-119.8	118.5	-179.8	-169.8	16.8	0	0	0	109.3	L70 S127 L143 K145 V264	L70-W125 HydrophobicContact CB-CB 4.48Å; L70-W125 HydrophobicContact CB-CG 4.34Å; L70-W125 HydrophobicContact CD2-CD2 4Å; L70-W125 HydrophobicContact CD2-CG 3.83Å; W125-S127 WeakPolarHBondContact CZ2-OG 3.42Å; W125-S127 PolarHBondContact NE1-OG 3.08Å; W125-S127 PolarHBondContact O-N 3.45Å; W125-L143 HydrophobicContact CE3-CD2 4.16Å; W125-L143 HydrophobicContact CE3-CG 4.41Å; W125-L143 HydrophobicContact CZ3-CD2 4.43Å; W125-L143 HydrophobicContact CZ3-CG 4.39Å; W125-L143 WeakPolarHBondContact CZ3-O 3.39Å; W125-K145 HydrophobicContact CE3-CB 3.7Å; W125-K145 HydrophobicContact CZ3-CB 4Å; W125-K145 WeakPolarHBondContact O-CD 3.07Å; W125-K145 VanDerWaalsContact O-CE 3.24Å; W125-K145 WeakPolarHBondContact O-CE 3.49Å; W125-K145 PolarHBondContact O-NZ 3.26Å; W125-V264 HydrophobicContact CB-CG1 4.3Å; W125-V264 HydrophobicContact CB-CG2 3.77Å; W125-V264 HydrophobicContact CE3-CG1 4.4Å
126	D	78.9	Confident	84.1	Confident	46 Å²	46	46.4 Å²	46.4	25%	0.246	25%	0.248	C	C	.	.			trans	-76.8	-6.2	-176.2	-64.7	-30.2	0	0	0	113.3	A320 A321	D126-A320 HydrophobicContact CB-CB 4.35Å; D126-A320 CarbonylContact O-C 3.03Å; D126-A320 WeakPolarHBondContact O-CA 3.35Å; D126-A320 WeakPolarHBondContact O-CB 3.21Å; D126-A321 HydrophobicContact CB-CB 4.32Å; D126-A321 PolarHBondContact O-N 3.33Å
127	S	80.8	Confident	85.2	Confident	22 Å²	22	46.4 Å²	46.4	15%	0.154	25%	0.252	C	S	.	.	S	Bend	trans	-56.5	165	-176.7	64.2	0	0	0	0	114.7	W125 A129 K145	W125-S127 WeakPolarHBondContact CZ2-OG 3.42Å; W125-S127 PolarHBondContact NE1-OG 3.08Å; W125-S127 PolarHBondContact O-N 3.45Å; S127-A129 PolarHBondContact O-N 2.95Å; S127-K145 WeakPolarHBondContact O-CD 3.21Å; S127-K145 VanDerWaalsContact O-CE 3.3Å; S127-K145 WeakPolarHBondContact O-CE 3.31Å; S127-K145 PolarHBondContact O-NZ 2.82Å; S127-K145 WeakPolarHBondContact OG-CD 3.47Å
128	N	81.6	Confident	86	Confident	111 Å²	111	46.9 Å²	46.9	59%	0.594	26%	0.257	S	S	*	.	P	Polyproline II helix	trans	-65.7	133.7	169.3	-63.7	-14.8	0	0	0	108.9	A320	N128-A320 PolarHBondContact OD1-N 3.41Å
129	A	83	Confident	86.4	Confident	17 Å²	17	46.9 Å²	46.9	14%	0.14	25%	0.251	C	S	.	.	P	Polyproline II helix	trans	-77.1	142.5	175	0	0	0	0	0	109.2	S127 K145 F310	S127-A129 PolarHBondContact O-N 2.95Å; A129-K145 CarbonylContact C-O 3.57Å; A129-K145 VanDerWaalsContact CA-O 3.26Å; A129-K145 WeakPolarHBondContact CA-O 3.36Å; A129-K145 HydrophobicContact CB-CB 4.37Å; A129-K145 HydrophobicContact CB-CD 4.29Å; A129-K145 HydrophobicContact CB-CG 3.87Å; A129-K145 WeakPolarHBondContact CB-O 3.27Å; A129-F310 HydrophobicContact CB-CE1 3.34Å; A129-F310 HydrophobicContact CB-CE2 4.06Å; A129-F310 HydrophobicContact CB-CZ 3.01Å
130	V	85.2	Confident	86.6	Confident	59 Å²	59	48.9 Å²	48.9	36%	0.358	26%	0.263	S	S	.	.	B	Isolated β-bridge	trans	-82.2	140.3	177.1	-175.6	0	0	0	0	107.8	D134 V135 K145	V130-D134 HydrophobicContact CG1-CB 3.64Å; V130-V135 HydrophobicContact CG1-CG2 4.28Å; V130-K145 PolarHBondContact N-O 2.94Å
131	S	84.9	Confident	86.5	Confident	28 Å²	28	50.3 Å²	50.3	20%	0.196	27%	0.274	C	S	.	.	P	Polyproline II helix	trans	-66.8	148.6	171.9	85.4	0	0	0	0	109.1	R133 D134	S131-R133 PolarHBondContact O-N 3.28Å; S131-D134 WeakPolarHBondContact CB-OD2 3.44Å; S131-D134 PolarHBondContact O-N 3.05Å; S131-D134 PolarHBondContact OG-N 2.75Å; S131-D134 PolarHBondContact OG-OD2 3.07Å
132	L	86.5	Confident	86.5	Confident	18 Å²	18	54.2 Å²	54.2	9%	0.094	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-17.6	-178.9	176.3	69.7	0	0	0	112.6	E229 R241 V243	L132-E229 HydrophobicContact CB-CG 3.52Å; L132-E229 VanDerWaalsContact CB-OE1 3.26Å; L132-E229 WeakPolarHBondContact CB-OE1 3.44Å; L132-E229 HydrophobicContact CD2-CG 3.82Å; L132-E229 HydrophobicContact CG-CG 4.21Å; L132-R241 HydrophobicContact CD2-CB 4.03Å; L132-V243 HydrophobicContact CD1-CB 3.84Å; L132-V243 HydrophobicContact CD1-CG2 3.34Å; L132-V243 HydrophobicContact CD2-CB 4.23Å; L132-V243 HydrophobicContact CD2-CG2 3.92Å; L132-V243 HydrophobicContact CG-CG2 4.12Å
133	R	86.3	Confident	86.4	Confident	39 Å²	39	54.2 Å²	54.2	15%	0.147	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.8	-29.9	175.7	-59.9	-177.4	169.2	-96.5	3.5	113	S131 V135 E229 E238 M239	S131-R133 PolarHBondContact O-N 3.28Å; R133-V135 VanDerWaalsContact C-N 3.28Å; R133-E229 WeakPolarHBondContact CG-OE1 3.37Å; R133-E229 IonicContact CZ-OE2 2.59Å; R133-E229 IonicContact NE-OE1 2.75Å; R133-E229 IonicContact NE-OE2 3.01Å; R133-E229 PolarHBondContact NE-OE2 3.38Å; R133-E229 IonicContact NH2-OE2 2.58Å; R133-E238 IonicContact CZ-OE2 3.07Å; R133-E238 IonicContact NH1-OE2 3.08Å; R133-E238 PolarHBondContact NH1-OE2 3.06Å; R133-E238 IonicContact NH2-OE2 3.61Å; R133-E238 PolarHBondContact NH2-OE2 3.1Å; R133-M239 PolarHBondContact NH2-O 3.2Å
134	D	87.5	Confident	86.5	Confident	92 Å²	92	54.3 Å²	54.3	49%	0.492	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.1	-3.5	179.8	-56.7	-38.7	0	0	0	112.5	V130 S131 H136	V130-D134 HydrophobicContact CG1-CB 3.64Å; S131-D134 WeakPolarHBondContact CB-OD2 3.44Å; S131-D134 PolarHBondContact O-N 3.05Å; S131-D134 PolarHBondContact OG-N 2.75Å; S131-D134 PolarHBondContact OG-OD2 3.07Å; D134-H136 PolarHBondContact O-N 3.15Å; D134-H136 PolarHBondContact O-ND1 2.96Å
135	V	86.4	Confident	86.7	Confident	16 Å²	16	52 Å²	52	10%	0.097	28%	0.278	C	S	.	.			trans	-76.5	92.9	173.8	-175.5	0	0	0	0	109.5	V130 R133 I146 Y267	V130-V135 HydrophobicContact CG1-CG2 4.28Å; R133-V135 VanDerWaalsContact C-N 3.28Å; V135-I146 HydrophobicContact CG2-CG2 4.22Å; V135-Y267 HydrophobicContact CG1-CD1 3.96Å; V135-Y267 HydrophobicContact CG1-CD2 3.73Å; V135-Y267 HydrophobicContact CG1-CE1 4.01Å; V135-Y267 HydrophobicContact CG1-CE2 3.73Å; V135-Y267 HydrophobicContact CG1-CG 3.85Å
136	H	88.3	Confident	87	Confident	114 Å²	114	49 Å²	49	53%	0.528	27%	0.267	S	S	.	.			trans	-90.5	176.7	178.7	-66.3	86.1	0	0	0	112.3	D134 D138 E139	D134-H136 PolarHBondContact O-N 3.15Å; D134-H136 PolarHBondContact O-ND1 2.96Å; H136-D138 PolarHBondContact O-N 3.43Å; H136-E139 PolarHBondContact O-N 2.86Å
137	S	87.1	Confident	87.4	Confident	92 Å²	92	47.9 Å²	47.9	64%	0.643	26%	0.262	S	S	*	.	G	3₁₀ helix	trans	-58.7	-24.4	174.3	48	0	0	0	0	113.9	E139 V140	S137-E139 PolarHBondContact O-N 3.04Å; S137-V140 WeakPolarHBondContact O-CB 3.49Å; S137-V140 WeakPolarHBondContact O-CG2 3.47Å; S137-V140 PolarHBondContact O-N 2.75Å
138	D	88.8	Confident	87.6	Confident	113 Å²	113	46.8 Å²	46.8	60%	0.604	26%	0.255	S	S	*	.	G	3₁₀ helix	trans	-73	-21.2	-174.5	-56.6	-11.4	0	0	0	112.1	H136 R142	H136-D138 PolarHBondContact O-N 3.43Å; D138-R142 VanDerWaalsContact O-CZ 3.28Å; D138-R142 PolarHBondContact O-NE 3.01Å
139	E	86.7	Confident	87.7	Confident	63 Å²	63	41.9 Å²	41.9	29%	0.294	23%	0.228	S	C	.	.	G	3₁₀ helix	trans	-92.1	4.9	177.2	-63.8	-55.5	135.2	0	0	113	H136 S137 S141 R142 V144	H136-E139 PolarHBondContact O-N 2.86Å; S137-E139 PolarHBondContact O-N 3.04Å; E139-S141 PolarHBondContact O-N 3.3Å; E139-R142 PolarHBondContact O-N 3.48Å; E139-R142 VanDerWaalsContact O-N 3.13Å; E139-R142 IonicContact OE1-NH1 3.05Å; E139-R142 PolarHBondContact OE1-NH1 3.18Å; E139-R142 VanDerWaalsContact OE1-NH1 3.1Å; E139-R142 VanDerWaalsContact OE2-CD 3.3Å; E139-R142 WeakPolarHBondContact OE2-CD 3.47Å; E139-R142 IonicContact OE2-NH1 3.92Å; E139-V144 HydrophobicContact CB-CG1 4.05Å
140	V	88.8	Confident	87.8	Confident	43 Å²	43	41.1 Å²	41.1	26%	0.261	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.4	133.9	173.2	176.8	0	0	0	0	110	S137 R142 Y267	S137-V140 WeakPolarHBondContact O-CB 3.49Å; S137-V140 WeakPolarHBondContact O-CG2 3.47Å; S137-V140 PolarHBondContact O-N 2.75Å; V140-R142 PolarHBondContact O-N 2.85Å; V140-Y267 HydrophobicContact CB-CD1 4.3Å; V140-Y267 HydrophobicContact CG2-CD1 3.6Å; V140-Y267 HydrophobicContact CG2-CE1 3.62Å
141	S	88.7	Confident	87.6	Confident	40 Å²	40	39.7 Å²	39.7	28%	0.28	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	65.5	10.6	-176.1	-54.8	0	0	0	0	115.1	P88 E139 Y267	P88-S141 WeakPolarHBondContact CD-O 3.47Å; P88-S141 WeakPolarHBondContact CG-O 3.48Å; E139-S141 PolarHBondContact O-N 3.3Å; S141-Y267 PolarHBondContact N-O 2.96Å
142	R	90.7	Very high	87.5	Confident	85 Å²	85	39 Å²	39	32%	0.321	21%	0.208	S	C	.	.	S	Bend	trans	-101	160.6	173.7	-61.9	-174.5	-176.5	169.7	2.1	112.1	I85 D138 E139 V140 V144 V266 Y267	I85-R142 WeakPolarHBondContact O-CA 3.39Å; D138-R142 VanDerWaalsContact O-CZ 3.28Å; D138-R142 PolarHBondContact O-NE 3.01Å; E139-R142 PolarHBondContact O-N 3.48Å; E139-R142 VanDerWaalsContact O-N 3.13Å; E139-R142 IonicContact OE1-NH1 3.05Å; E139-R142 PolarHBondContact OE1-NH1 3.18Å; E139-R142 VanDerWaalsContact OE1-NH1 3.1Å; E139-R142 VanDerWaalsContact OE2-CD 3.3Å; E139-R142 WeakPolarHBondContact OE2-CD 3.47Å; E139-R142 IonicContact OE2-NH1 3.92Å; V140-R142 PolarHBondContact O-N 2.85Å; R142-V144 PolarHBondContact O-N 2.62Å; R142-V266 WeakPolarHBondContact O-CA 3.47Å; R142-Y267 PolarHBondContact O-N 2.82Å
143	L	91.7	Very high	87.4	Confident	5 Å²	5	40.3 Å²	40.3	3%	0.026	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	119.8	173	-165	74.6	0	0	0	109.9	L70 I85 W125 V264 V266 L296	L70-L143 HydrophobicContact CD2-CD2 4.17Å; I85-L143 HydrophobicContact CG1-CD2 4.47Å; I85-L143 PolarHBondContact O-N 3.1Å; W125-L143 HydrophobicContact CE3-CD2 4.16Å; W125-L143 HydrophobicContact CE3-CG 4.41Å; W125-L143 HydrophobicContact CZ3-CD2 4.43Å; W125-L143 HydrophobicContact CZ3-CG 4.39Å; W125-L143 WeakPolarHBondContact CZ3-O 3.39Å; L143-V264 HydrophobicContact CD1-CG1 3.9Å; L143-V264 HydrophobicContact CD2-CG1 4.1Å; L143-V264 HydrophobicContact CG-CG1 4.03Å; L143-V266 HydrophobicContact CD1-CG2 4.32Å; L143-L296 HydrophobicContact CD1-CD1 3.77Å
144	V	92	Very high	87.3	Confident	6 Å²	6	39.7 Å²	39.7	4%	0.036	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	145.4	177.3	-62.9	0	0	0	0	110.4	E139 R142 G265 I293	E139-V144 HydrophobicContact CB-CG1 4.05Å; R142-V144 PolarHBondContact O-N 2.62Å; V144-G265 WeakPolarHBondContact CG2-O 3.35Å; V144-G265 PolarHBondContact N-O 2.86Å; V144-G265 PolarHBondContact O-N 3.35Å; V144-G265 VanDerWaalsContact O-O 3.12Å; V144-I293 HydrophobicContact CG2-CD1 4.46Å
145	K	91.9	Very high	87.3	Confident	20 Å²	20	39.2 Å²	39.2	9%	0.087	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	124	168.5	-173.3	-177.9	175.9	177.3	0	107.9	W125 S127 A129 V130 T262 V263 V264	W125-K145 HydrophobicContact CE3-CB 3.7Å; W125-K145 HydrophobicContact CZ3-CB 4Å; W125-K145 WeakPolarHBondContact O-CD 3.07Å; W125-K145 VanDerWaalsContact O-CE 3.24Å; W125-K145 WeakPolarHBondContact O-CE 3.49Å; W125-K145 PolarHBondContact O-NZ 3.26Å; S127-K145 WeakPolarHBondContact O-CD 3.21Å; S127-K145 VanDerWaalsContact O-CE 3.3Å; S127-K145 WeakPolarHBondContact O-CE 3.31Å; S127-K145 PolarHBondContact O-NZ 2.82Å; S127-K145 WeakPolarHBondContact OG-CD 3.47Å; A129-K145 CarbonylContact C-O 3.57Å; A129-K145 VanDerWaalsContact CA-O 3.26Å; A129-K145 WeakPolarHBondContact CA-O 3.36Å; A129-K145 HydrophobicContact CB-CB 4.37Å; A129-K145 HydrophobicContact CB-CD 4.29Å; A129-K145 HydrophobicContact CB-CG 3.87Å; A129-K145 WeakPolarHBondContact CB-O 3.27Å; V130-K145 PolarHBondContact N-O 2.94Å; K145-T262 HydrophobicContact CD-CG2 4.26Å; K145-T262 HydrophobicContact CG-CG2 3.96Å; K145-V263 WeakPolarHBondContact CA-O 3.4Å; K145-V264 HydrophobicContact CG-CG2 4.14Å
146	I	91	Very high	87.5	Confident	1 Å²	1	41.2 Å²	41.2	1%	0.005	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	148.4	178.5	58	167.2	0	0	0	110	V135 L227 L245 V263 I293	V135-I146 HydrophobicContact CG2-CG2 4.22Å; I146-L227 HydrophobicContact CD1-CD2 3.45Å; I146-L227 VanDerWaalsContact CD1-CD2 3.45Å; I146-L227 HydrophobicContact CG1-CD2 4.1Å; I146-L245 HydrophobicContact CD1-CD2 4.27Å; I146-V263 HydrophobicContact CG1-CB 4Å; I146-V263 PolarHBondContact N-O 2.83Å; I146-V263 PolarHBondContact O-N 2.94Å; I146-I293 HydrophobicContact CD1-CD1 3.24Å; I146-I293 HydrophobicContact CG1-CD1 4.28Å
147	S	87.2	Confident	87.6	Confident	21 Å²	21	42.2 Å²	42.2	15%	0.147	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	143	174.7	-176.2	0	0	0	0	109.6
148	G	85.5	Confident	87.8	Confident	0 Å²	0	41.2 Å²	41.2	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-175.7	-175.5	-177.5	0	0	0	0	0	113.6	Q228 R260 I261	G148-Q228 CarbonylContact C-O 3.6Å; G148-Q228 WeakPolarHBondContact CA-O 3.5Å; G148-R260 WeakPolarHBondContact O-CA 3.34Å; G148-I261 PolarHBondContact N-O 3.46Å; G148-I261 VanDerWaalsContact N-O 3.07Å; G148-I261 PolarHBondContact O-N 3.22Å
149	I	83.7	Confident	87.8	Confident	7 Å²	7	37.1 Å²	37.1	4%	0.036	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	130.1	179.1	-62.5	167.3	0	0	0	108.8	I151 L227 Q228 N259 R260 L446	I149-I151 PolarHBondContact O-N 3.03Å; I149-L227 CarbonylContact O-C 3.55Å; I149-Q228 PolarHBondContact N-O 3.27Å; I149-Q228 PolarHBondContact O-N 2.92Å; I149-N259 WeakPolarHBondContact CA-O 3.31Å; I149-R260 HydrophobicContact CD1-CG 4.33Å; I149-R260 HydrophobicContact CG1-CG 3.69Å; I149-L446 HydrophobicContact CD1-CD2 3.48Å; I149-L446 VanDerWaalsContact CD1-CD2 3.48Å; I149-L446 HydrophobicContact CG2-CD2 4.14Å
150	A	85.1	Confident	88	Confident	1 Å²	1	35.2 Å²	35.2	1%	0.008	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	114.8	174.7	0	0	0	0	0	110	I225 K226 V255 P257 G258 N259 I261	A150-I225 HydrophobicContact CB-CG2 3.92Å; A150-K226 CarbonylContact C-O 3.58Å; A150-K226 WeakPolarHBondContact CA-O 3.47Å; A150-V255 HydrophobicContact CB-CG1 3.54Å; A150-P257 CarbonylContact O-C 3.56Å; A150-P257 WeakPolarHBondContact O-CA 3.29Å; A150-G258 PolarHBondContact O-N 3.45Å; A150-N259 PolarHBondContact N-O 3.44Å; A150-I261 HydrophobicContact CB-CD1 4.16Å
151	I	81.4	Confident	87.9	Confident	30 Å²	30	35.5 Å²	35.5	15%	0.154	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	-43.2	178	-58.2	159.6	0	0	0	110.8	I149 K226 Q228 H242 P257 M439 E440	I149-I151 PolarHBondContact O-N 3.03Å; I151-K226 PolarHBondContact N-O 3.27Å; I151-Q228 HydrophobicContact CD1-CB 3.54Å; I151-Q228 HydrophobicContact CD1-CG 3.93Å; I151-Q228 HydrophobicContact CG1-CB 3.7Å; I151-Q228 HydrophobicContact CG1-CG 4.4Å; I151-H242 HydrophobicContact CD1-CB 4.28Å; I151-P257 WeakPolarHBondContact O-CB 3.34Å; I151-M439 VanDerWaalsContact O-O 3.11Å; I151-E440 HydrophobicContact CG2-CG 4.37Å
152	S	81.5	Confident	87.9	Confident	14 Å²	14	39.6 Å²	39.6	10%	0.098	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	143.7	-173.5	71.9	0	0	0	0	110.7	I225 K226	S152-I225 CarbonylContact O-C 3.52Å; S152-I225 WeakPolarHBondContact O-CA 3.25Å; S152-K226 PolarHBondContact O-N 3.42Å; S152-K226 WeakPolarHBondContact OG-CB 3.3Å; S152-K226 WeakPolarHBondContact OG-CD 3.17Å; S152-K226 WeakPolarHBondContact OG-CG 3.31Å
153	S	84.3	Confident	87.9	Confident	44 Å²	44	36.3 Å²	36.3	31%	0.308	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	139.2	168.4	53.8	0	0	0	0	109.5
154	S	85.9	Confident	87.8	Confident	26 Å²	26	36.2 Å²	36.2	18%	0.182	20%	0.201	C	C	.	.	P	Polyproline II helix	trans	-75.6	161.4	169.7	72.5	0	0	0	0	110.5	Q223 T224	S154-Q223 WeakPolarHBondContact O-CG 3.33Å; S154-Q223 PolarHBondContact O-NE2 3.11Å; S154-T224 WeakPolarHBondContact CB-OG1 3.39Å; S154-T224 PolarHBondContact N-O 2.64Å; S154-T224 PolarHBondContact OG-N 2.97Å; S154-T224 PolarHBondContact OG-O 3.39Å; S154-T224 PolarHBondContact OG-OG1 2.81Å
155	S	87.1	Confident	87.7	Confident	83 Å²	83	36 Å²	36	58%	0.58	20%	0.199	S	C	*	.	P	Polyproline II helix	trans	-59.2	153.5	160.9	66.3	0	0	0	0	110.2
156	I	90.5	Very high	87.6	Confident	58 Å²	58	37.7 Å²	37.7	30%	0.297	21%	0.207	S	C	.	.	P	Polyproline II helix	trans	-64.8	143.5	174.3	-55.7	171.6	0	0	0	109.2	D221 C252 E253	I156-D221 HydrophobicContact CG2-CB 3.67Å; I156-C252 HydrophobicContact CD1-CB 4.5Å; I156-E253 HydrophobicContact CD1-CG 3.55Å; I156-E253 WeakPolarHBondContact CD1-OE1 3.32Å; I156-E253 HydrophobicContact CG1-CG 4.25Å
157	R	90.8	Very high	87.4	Confident	135 Å²	135	37.6 Å²	37.6	51%	0.509	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	155.7	175	-65.8	-179.9	-174.7	-177.2	1.2	108.9	F222	R157-F222 HydrophobicContact CB-CD1 3.85Å; R157-F222 HydrophobicContact CB-CE1 3.26Å; R157-F222 HydrophobicContact CB-CE2 4.04Å; R157-F222 HydrophobicContact CB-CG 4.5Å; R157-F222 HydrophobicContact CB-CZ 3.38Å; R157-F222 HydrophobicContact CG-CE1 4.48Å; R157-F222 HydrophobicContact CG-CZ 4.18Å; R157-F222 PolarHBondContact N-O 2.79Å; R157-F222 WeakPolarHBondContact O-CD1 3.32Å; R157-F222 PolarHBondContact O-N 3.35Å
158	A	90.3	Very high	87.3	Confident	70 Å²	70	45.3 Å²	45.3	58%	0.579	23%	0.233	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-89.9	133.6	176.3	0	0	0	0	0	111.1	C219 F222	A158-C219 HydrophobicContact CB-CB 4.42Å; A158-F222 WeakPolarHBondContact O-CE1 3.34Å
159	K	89.7	Confident	87.2	Confident	27 Å²	27	47 Å²	47	12%	0.117	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	132.1	171	-176.1	-178	179.1	-161.4	0	109.8	K180 P181 G182 C219 V220 F222 Y246	K159-K180 PolarHBondContact NZ-O 3.45Å; K159-P181 VanDerWaalsContact NZ-C 3.31Å; K159-G182 VanDerWaalsContact CE-O 3.28Å; K159-G182 WeakPolarHBondContact CE-O 2.99Å; K159-G182 PolarHBondContact NZ-O 3.17Å; K159-C219 CarbonylContact O-C 3.53Å; K159-C219 WeakPolarHBondContact O-CA 3.43Å; K159-V220 HydrophobicContact CB-CG2 4.43Å; K159-V220 PolarHBondContact N-O 3.07Å; K159-V220 PolarHBondContact O-N 3.11Å; K159-F222 HydrophobicContact CB-CB 4.5Å; K159-F222 HydrophobicContact CB-CD1 3.46Å; K159-F222 VanDerWaalsContact CB-CD1 3.46Å; K159-F222 HydrophobicContact CB-CE1 3.94Å; K159-F222 HydrophobicContact CB-CG 4.26Å; K159-Y246 HydrophobicContact CD-CE2 4.47Å; K159-Y246 WeakPolarHBondContact CD-OH 3.42Å
160	A	89.3	Confident	87.1	Confident	24 Å²	24	48.7 Å²	48.7	20%	0.198	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	130.1	173	0	0	0	0	0	111.4	L163 V179 D218	A160-L163 HydrophobicContact CB-CD2 3.5Å; A160-L163 HydrophobicContact CB-CG 4.12Å; A160-V179 WeakPolarHBondContact O-CB 3.08Å; A160-D218 CarbonylContact C-O 3.54Å; A160-D218 WeakPolarHBondContact CA-O 3.22Å
161	V	87.2	Confident	87	Confident	48 Å²	48	58 Å²	58	29%	0.291	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	-42.5	169.8	179.9	0	0	0	0	110.1	V179 D218 V220	V161-V179 PolarHBondContact O-N 2.99Å; V161-D218 PolarHBondContact N-O 3.29Å; V161-V220 HydrophobicContact CG2-CB 4.1Å; V161-V220 HydrophobicContact CG2-CG1 3.49Å; V161-V220 VanDerWaalsContact CG2-CG1 3.49Å; V161-V220 HydrophobicContact CG2-CG2 3.51Å
162	R	89.3	Confident	87.1	Confident	127 Å²	127	61.6 Å²	61.6	48%	0.479	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	124.7	175.8	-63.5	-174.7	-177.4	141.8	-4.9	109.8	L177 C217 D218	R162-L177 WeakPolarHBondContact CA-O 3.49Å; R162-C217 WeakPolarHBondContact O-CA 3.36Å; R162-D218 HydrophobicContact CB-CB 4.16Å; R162-D218 WeakPolarHBondContact CD-OD2 3.21Å; R162-D218 PolarHBondContact N-O 2.8Å; R162-D218 IonicContact NH1-OD2 2.74Å; R162-D218 PolarHBondContact O-N 2.95Å; R162-D218 VanDerWaalsContact O-N 3.12Å
163	L	89.7	Confident	87.2	Confident	16 Å²	16	63.6 Å²	63.6	8%	0.084	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	141.6	176.1	-70.2	172.7	0	0	0	110.5	A160 N176 L177 V179 F186 I212	A160-L163 HydrophobicContact CB-CD2 3.5Å; A160-L163 HydrophobicContact CB-CG 4.12Å; L163-N176 PolarHBondContact O-N 3.26Å; L163-L177 HydrophobicContact CB-CB 4.47Å; L163-L177 PolarHBondContact N-O 3.11Å; L163-L177 WeakPolarHBondContact O-CB 3.29Å; L163-L177 PolarHBondContact O-N 2.99Å; L163-V179 HydrophobicContact CB-CG2 4.35Å; L163-V179 HydrophobicContact CD1-CG2 3.42Å; L163-V179 VanDerWaalsContact CD1-CG2 3.42Å; L163-V179 HydrophobicContact CG-CG2 3.47Å; L163-V179 VanDerWaalsContact CG-CG2 3.47Å; L163-F186 HydrophobicContact CD1-CB 3.85Å; L163-F186 HydrophobicContact CD1-CD1 3.93Å; L163-F186 HydrophobicContact CD1-CG 3.84Å; L163-I212 HydrophobicContact CD2-CD1 4.47Å; L163-I212 HydrophobicContact CD2-CG2 3.89Å
164	S	90.8	Very high	87.2	Confident	3 Å²	3	63.6 Å²	63.6	2%	0.021	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	119.3	170.3	-79.3	0	0	0	0	108.8	F173 V213 K216	S164-F173 WeakPolarHBondContact OG-CZ 3.43Å; S164-V213 PolarHBondContact O-N 3.42Å; S164-K216 WeakPolarHBondContact CB-O 3.28Å; S164-K216 PolarHBondContact OG-O 2.76Å
165	L	90.1	Very high	87.1	Confident	0 Å²	0	65.6 Å²	65.6	0%	0	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	146.1	179.8	-55.8	179.9	0	0	0	111	F173 L174 L177 F186 L188 P189 F210 F211 I212	L165-F173 WeakPolarHBondContact O-CA 3.47Å; L165-F173 WeakPolarHBondContact O-CD2 3.49Å; L165-L174 HydrophobicContact CB-CB 4.31Å; L165-L174 PolarHBondContact N-O 3.37Å; L165-L174 PolarHBondContact O-N 3.32Å; L165-L177 HydrophobicContact CB-CD1 4.49Å; L165-L177 HydrophobicContact CD1-CD1 3.39Å; L165-L177 HydrophobicContact CG-CD1 3.72Å; L165-F186 HydrophobicContact CD1-CE1 4.17Å; L165-L188 HydrophobicContact CD1-CD2 3.86Å; L165-L188 HydrophobicContact CD2-CD2 3.62Å; L165-L188 HydrophobicContact CG-CD2 4.43Å; L165-P189 HydrophobicContact CD1-CG 4.23Å; L165-F210 HydrophobicContact CB-CB 4.48Å; L165-F210 HydrophobicContact CB-CD1 3.9Å; L165-F210 HydrophobicContact CB-CG 4.49Å; L165-F210 HydrophobicContact CD1-CB 4.41Å; L165-F210 HydrophobicContact CD1-CG 4.48Å; L165-F211 WeakPolarHBondContact CA-O 3.2Å; L165-I212 HydrophobicContact CD2-CB 4.26Å; L165-I212 HydrophobicContact CD2-CG1 3.55Å
166	Q	89.2	Confident	86.8	Confident	56 Å²	56	66.5 Å²	66.5	26%	0.262	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	135.9	170.7	-171.9	173.1	21.6	0	0	110.3	R171 F173 F210 F211 V213	Q166-R171 PolarHBondContact NE2-O 3.04Å; Q166-F173 HydrophobicContact CB-CD2 4.22Å; Q166-F210 WeakPolarHBondContact O-CA 3.34Å; Q166-F211 HydrophobicContact CB-CD1 4.33Å; Q166-F211 HydrophobicContact CB-CE1 3.73Å; Q166-F211 HydrophobicContact CB-CE2 4.16Å; Q166-F211 HydrophobicContact CB-CZ 3.65Å; Q166-F211 HydrophobicContact CG-CE1 3.89Å; Q166-F211 HydrophobicContact CG-CZ 3.84Å; Q166-F211 PolarHBondContact N-O 3.19Å; Q166-F211 WeakPolarHBondContact O-CD1 3.3Å; Q166-F211 WeakPolarHBondContact O-CE1 3.12Å; Q166-F211 PolarHBondContact O-N 3.2Å; Q166-V213 HydrophobicContact CB-CG2 3.6Å
167	C	87.2	Confident	86.6	Confident	0 Å²	0	66 Å²	66	0%	0	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	131.8	175.1	-178.8	0	0	0	0	110.8	G169 R171 Q172 C205 F210	C167-G169 PolarHBondContact O-N 3.36Å; C167-R171 WeakPolarHBondContact O-CA 3.43Å; C167-R171 PolarHBondContact O-N 3.33Å; C167-R171 VanDerWaalsContact O-N 3.08Å; C167-Q172 PolarHBondContact N-O 3.23Å; C167-C205 VanDerWaalsContact SG-SG 3.61Å; C167-F210 HydrophobicContact CB-CD1 4.22Å; C167-F210 HydrophobicContact CB-CE1 3.95Å
168	R	85.7	Confident	86.2	Confident	182 Å²	182	64.3 Å²	64.3	69%	0.687	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.9	-34.8	176.1	-70.4	-177.1	174.5	176.1	-2.5	113.4	P209 F211	R168-P209 WeakPolarHBondContact CB-O 3.21Å; R168-P209 WeakPolarHBondContact CG-O 3.34Å; R168-P209 PolarHBondContact N-O 3.25Å; R168-F211 HydrophobicContact CG-CD1 3.54Å; R168-F211 HydrophobicContact CG-CE1 3.96Å
169	G	81.6	Confident	85.9	Confident	35 Å²	35	62 Å²	62	36%	0.361	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.7	-66.7	-175.9	0	0	0	0	0	112.5	C167	C167-G169 PolarHBondContact O-N 3.36Å
170	C	82.5	Confident	85.5	Confident	44 Å²	44	66.4 Å²	66.4	30%	0.297	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.1	-1.2	-175.4	70.8	0	0	0	0	114.4	Q172 S194 C205	C170-Q172 PolarHBondContact O-N 3.13Å; C170-Q172 WeakPolarHBondContact SG-CB 3.42Å; C170-S194 PolarHBondContact SG-OG 3.32Å; C170-C205 PolarHBondContact N-SG 3.49Å
171	R	83.2	Confident	84.9	Confident	197 Å²	197	68.1 Å²	68.1	74%	0.743	34%	0.339	S	S	*	.			trans	57.5	11	-175.9	-62.3	-172.7	177.7	-176.8	-0.4	116	Q166 C167 F173	Q166-R171 PolarHBondContact NE2-O 3.04Å; C167-R171 WeakPolarHBondContact O-CA 3.43Å; C167-R171 PolarHBondContact O-N 3.33Å; C167-R171 VanDerWaalsContact O-N 3.08Å; R171-F173 PolarHBondContact O-N 3.48Å
172	Q	83.3	Confident	84.5	Confident	105 Å²	105	65.9 Å²	65.9	49%	0.491	33%	0.325	S	S	.	.			trans	-61.1	131.5	176.5	-172.1	65.2	14.1	0	0	110.3	C167 C170	C167-Q172 PolarHBondContact N-O 3.23Å; C170-Q172 PolarHBondContact O-N 3.13Å; C170-Q172 WeakPolarHBondContact SG-CB 3.42Å
173	F	84.1	Confident	84	Confident	55 Å²	55	61.6 Å²	61.6	24%	0.241	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	131.6	178.3	-166	-115.5	0	0	0	109.8	S164 L165 Q166 R171 P175 V213 K216	S164-F173 WeakPolarHBondContact OG-CZ 3.43Å; L165-F173 WeakPolarHBondContact O-CA 3.47Å; L165-F173 WeakPolarHBondContact O-CD2 3.49Å; Q166-F173 HydrophobicContact CB-CD2 4.22Å; R171-F173 PolarHBondContact O-N 3.48Å; F173-P175 HydrophobicContact CD1-CB 3.92Å; F173-P175 HydrophobicContact CD1-CG 4.16Å; F173-P175 HydrophobicContact CE1-CB 3.62Å; F173-P175 HydrophobicContact CE1-CG 4.35Å; F173-P175 WeakPolarHBondContact O-CD 3.22Å; F173-V213 HydrophobicContact CE2-CB 4.26Å; F173-V213 HydrophobicContact CE2-CG2 4.02Å; F173-K216 HydrophobicContact CE1-CD 3.92Å; F173-K216 HydrophobicContact CE2-CD 3.82Å; F173-K216 HydrophobicContact CZ-CB 4.1Å; F173-K216 HydrophobicContact CZ-CD 3.21Å; F173-K216 HydrophobicContact CZ-CG 4.3Å
174	L	84.4	Confident	83.4	Confident	45 Å²	45	63.4 Å²	63.4	24%	0.236	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	90.9	170	-65.1	177.8	0	0	0	107.3	L165 L177 P193 F210	L165-L174 HydrophobicContact CB-CB 4.31Å; L165-L174 PolarHBondContact N-O 3.37Å; L165-L174 PolarHBondContact O-N 3.32Å; L174-L177 HydrophobicContact CB-CD1 4.39Å; L174-P193 HydrophobicContact CD2-CG 4.29Å; L174-F210 HydrophobicContact CD1-CD1 4.31Å; L174-F210 HydrophobicContact CD1-CE1 3.43Å; L174-F210 VanDerWaalsContact CD1-CE1 3.43Å; L174-F210 HydrophobicContact CD1-CE2 4.5Å; L174-F210 HydrophobicContact CD1-CZ 3.53Å; L174-F210 HydrophobicContact CG-CE1 4.04Å; L174-F210 HydrophobicContact CG-CZ 4.47Å
175	P	83.4	Confident	82.7	Confident	68 Å²	68	66.7 Å²	66.7	44%	0.442	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	158.5	178	27	-31.6	0	0	0	112.2	F173 L177	F173-P175 HydrophobicContact CD1-CB 3.92Å; F173-P175 HydrophobicContact CD1-CG 4.16Å; F173-P175 HydrophobicContact CE1-CB 3.62Å; F173-P175 HydrophobicContact CE1-CG 4.35Å; F173-P175 WeakPolarHBondContact O-CD 3.22Å; P175-L177 PolarHBondContact O-N 2.81Å
176	N	80.8	Confident	82.3	Confident	102 Å²	102	70.3 Å²	70.3	55%	0.545	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	57.8	40.1	159.5	-59.6	-21.1	0	0	0	116.1	L163 P178	L163-N176 PolarHBondContact O-N 3.26Å; N176-P178 VanDerWaalsContact O-CD 3.29Å; N176-P178 WeakPolarHBondContact O-CD 3.29Å
177	L	85	Confident	82	Confident	46 Å²	46	72.8 Å²	72.8	24%	0.241	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	116.4	172	-64.4	175.2	0	0	0	109.7	R162 L163 L165 L174 P175 V179 F186	R162-L177 WeakPolarHBondContact CA-O 3.49Å; L163-L177 HydrophobicContact CB-CB 4.47Å; L163-L177 PolarHBondContact N-O 3.11Å; L163-L177 WeakPolarHBondContact O-CB 3.29Å; L163-L177 PolarHBondContact O-N 2.99Å; L165-L177 HydrophobicContact CB-CD1 4.49Å; L165-L177 HydrophobicContact CD1-CD1 3.39Å; L165-L177 HydrophobicContact CG-CD1 3.72Å; L174-L177 HydrophobicContact CB-CD1 4.39Å; P175-L177 PolarHBondContact O-N 2.81Å; L177-V179 PolarHBondContact O-N 3.36Å; L177-F186 HydrophobicContact CB-CZ 4.3Å; L177-F186 HydrophobicContact CD1-CE1 4.35Å; L177-F186 HydrophobicContact CD1-CZ 3.99Å
178	P	84.2	Confident	81.9	Confident	100 Å²	100	76.4 Å²	76.4	65%	0.649	41%	0.408	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.5	130.3	179.8	29.3	-33.6	0	0	0	110.4	N176	N176-P178 VanDerWaalsContact O-CD 3.29Å; N176-P178 WeakPolarHBondContact O-CD 3.29Å
179	V	83.5	Confident	81.8	Confident	22 Å²	22	70.1 Å²	70.1	13%	0.133	39%	0.391	C	S	.	.	P	Polyproline II helix	trans	-90.9	135.3	171.3	-176.5	0	0	0	0	108.2	A160 V161 L163 L177	A160-V179 WeakPolarHBondContact O-CB 3.08Å; V161-V179 PolarHBondContact O-N 2.99Å; L163-V179 HydrophobicContact CB-CG2 4.35Å; L163-V179 HydrophobicContact CD1-CG2 3.42Å; L163-V179 VanDerWaalsContact CD1-CG2 3.42Å; L163-V179 HydrophobicContact CG-CG2 3.47Å; L163-V179 VanDerWaalsContact CG-CG2 3.47Å; L177-V179 PolarHBondContact O-N 3.36Å
180	K	80.1	Confident	81.9	Confident	120 Å²	120	77 Å²	77	52%	0.522	41%	0.406	S	S	.	.	P	Polyproline II helix	trans	-60.3	139.6	175.5	-69.8	-173.5	175.6	-173.1	0	110.8	K159 E184	K159-K180 PolarHBondContact NZ-O 3.45Å; K180-E184 WeakPolarHBondContact CD-OE2 3.39Å
181	P	77.4	Confident	81.9	Confident	60 Å²	60	83.2 Å²	83.2	39%	0.39	43%	0.428	S	S	.	.	S	Bend	trans	-65.3	159.7	173.9	28.6	-34.4	0	0	0	111.5	K159	K159-P181 VanDerWaalsContact NZ-C 3.31Å
182	G	79.2	Confident	81.7	Confident	1 Å²	1	74 Å²	74	1%	0.01	39%	0.394	C	S	.	.	S	Bend	trans	96.4	-159.5	-177.3	0	0	0	0	0	115.7	K159 E184	K159-G182 VanDerWaalsContact CE-O 3.28Å; K159-G182 WeakPolarHBondContact CE-O 2.99Å; K159-G182 PolarHBondContact NZ-O 3.17Å; G182-E184 VanDerWaalsContact C-N 3.34Å
183	L	78.6	Confident	81.3	Confident	36 Å²	36	71.8 Å²	71.8	19%	0.188	39%	0.389	C	S	.	.	S	Bend	trans	-95	15.3	-175.3	-69.6	175.1	0	0	0	113.7	Y246 R270 Y292	L183-Y246 HydrophobicContact CD2-CD2 3.63Å; L183-Y246 HydrophobicContact CD2-CE2 4Å; L183-Y246 HydrophobicContact CG-CD2 3.86Å; L183-Y246 HydrophobicContact CG-CE2 4.5Å; L183-R270 HydrophobicContact CB-CG 4.43Å; L183-Y292 HydrophobicContact CB-CE1 4.14Å; L183-Y292 HydrophobicContact CD1-CD1 4.21Å; L183-Y292 HydrophobicContact CD1-CD2 4.15Å; L183-Y292 HydrophobicContact CD1-CG 3.98Å; L183-Y292 HydrophobicContact CG-CD2 4.45Å; L183-Y292 HydrophobicContact CG-CE2 4.37Å; L183-Y292 PolarHBondContact N-OH 3.37Å
184	E	76.9	Confident	80.5	Confident	54 Å²	54	70.7 Å²	70.7	25%	0.252	39%	0.388	S	S	.	.	P	Polyproline II helix	trans	-78.8	143.7	178	-58.9	-157.2	129.4	0	0	112.1	K180 G182	K180-E184 WeakPolarHBondContact CD-OE2 3.39Å; G182-E184 VanDerWaalsContact C-N 3.34Å
185	G	76.2	Confident	79.3	Confident	73 Å²	73	72 Å²	72	75%	0.753	41%	0.405	S	S	*	.	P	Polyproline II helix	trans	-85.5	162.2	173.1	0	0	0	0	0	112.1
186	F	80.9	Confident	78	Confident	75 Å²	75	76.8 Å²	76.8	33%	0.329	42%	0.421	S	S	.	.	P	Polyproline II helix	trans	-94.7	126.3	170.6	-175	-95.2	0	0	0	110.3	L163 L165 L177 L188	L163-F186 HydrophobicContact CD1-CB 3.85Å; L163-F186 HydrophobicContact CD1-CD1 3.93Å; L163-F186 HydrophobicContact CD1-CG 3.84Å; L165-F186 HydrophobicContact CD1-CE1 4.17Å; L177-F186 HydrophobicContact CB-CZ 4.3Å; L177-F186 HydrophobicContact CD1-CE1 4.35Å; L177-F186 HydrophobicContact CD1-CZ 3.99Å; F186-L188 HydrophobicContact CD1-CD2 4.19Å; F186-L188 HydrophobicContact CE1-CD2 4.32Å; F186-L188 PolarHBondContact O-N 2.86Å
187	T	84	Confident	76.9	Confident	109 Å²	109	77.3 Å²	77.3	67%	0.669	43%	0.428	S	S	*	.			trans	-83.1	115.1	175	55.2	0	0	0	0	110.3
188	L	85.5	Confident	74.8	Confident	76 Å²	76	79.1 Å²	79.1	40%	0.398	46%	0.458	S	S	.	.			trans	-64.1	137	177.4	-66.3	171.9	0	0	0	111.1	L165 F186 R190 I212	L165-L188 HydrophobicContact CD1-CD2 3.86Å; L165-L188 HydrophobicContact CD2-CD2 3.62Å; L165-L188 HydrophobicContact CG-CD2 4.43Å; F186-L188 HydrophobicContact CD1-CD2 4.19Å; F186-L188 HydrophobicContact CE1-CD2 4.32Å; F186-L188 PolarHBondContact O-N 2.86Å; L188-R190 PolarHBondContact O-N 2.86Å; L188-I212 HydrophobicContact CD2-CG1 4.35Å
189	P	83.8	Confident	72.9	Confident	49 Å²	49	77.2 Å²	77.2	32%	0.318	46%	0.456	S	S	.	.			trans	-66.8	132.3	177	23.9	-29.8	0	0	0	110.9	L165 F210	L165-P189 HydrophobicContact CD1-CG 4.23Å; P189-F210 HydrophobicContact CB-CD2 4.46Å; P189-F210 HydrophobicContact CB-CE2 4.27Å; P189-F210 HydrophobicContact CG-CD2 3.73Å; P189-F210 HydrophobicContact CG-CE2 3.75Å; P189-F210 HydrophobicContact CG-CG 4.38Å; P189-F210 HydrophobicContact CG-CZ 4.44Å; P189-F210 VanDerWaalsContact O-CD2 3.29Å; P189-F210 WeakPolarHBondContact O-CD2 3.32Å
190	R	83.5	Confident	71.2	Confident	180 Å²	180	80.3 Å²	80.3	68%	0.679	49%	0.493	S	S	*	.	S	Bend	trans	-78.3	-20.9	-176.4	-56.4	-157.8	180	173.6	-2.6	114.9	L188 I207 D208	L188-R190 PolarHBondContact O-N 2.86Å; R190-I207 HydrophobicContact CB-CG2 4.49Å; R190-D208 VanDerWaalsContact CA-OD1 3.22Å; R190-D208 WeakPolarHBondContact CA-OD1 3.42Å; R190-D208 VanDerWaalsContact CB-OD1 3.23Å; R190-D208 WeakPolarHBondContact CB-OD1 3.27Å; R190-D208 WeakPolarHBondContact CG-OD1 3.3Å; R190-D208 PolarHBondContact O-N 3.21Å
191	K	82.2	Confident	69.9	Low	174 Å²	174	83.8 Å²	83.8	76%	0.757	51%	0.511	S	S	*	.	S	Bend	trans	-120.8	135.4	-175.9	-64.6	-177.3	-179.7	-179.3	0	109.2
192	C	78.3	Confident	68.9	Low	4 Å²	4	84.1 Å²	84.1	3%	0.027	52%	0.519	C	S	.	.			trans	-75.2	132.7	172.6	-160.3	0	0	0	0	109.6	S194 A195 C205 P209 F210	C192-S194 PolarHBondContact O-N 2.81Å; C192-S194 PolarHBondContact SG-OG 2.9Å; C192-A195 VanDerWaalsContact O-CB 3.31Å; C192-A195 WeakPolarHBondContact O-CB 3.45Å; C192-A195 PolarHBondContact O-N 3.06Å; C192-C205 HydrophobicContact CB-CB 4.15Å; C192-P209 HydrophobicContact CB-CG 4.1Å; C192-F210 HydrophobicContact CB-CE2 4.39Å; C192-F210 HydrophobicContact CB-CZ 4.27Å
193	P	74.4	Confident	67.9	Low	59 Å²	59	89 Å²	89	38%	0.383	55%	0.549	S	S	.	.	G	3₁₀ helix	trans	-63.9	-25.4	179	25.2	-32.4	0	0	0	112.3	L174 A195 Q196	L174-P193 HydrophobicContact CD2-CG 4.29Å; P193-A195 PolarHBondContact O-N 3.23Å; P193-Q196 PolarHBondContact O-N 3.46Å
194	S	67.7	Low	67.3	Low	31 Å²	31	99 Å²	99	22%	0.217	58%	0.584	C	S	.	*	G	3₁₀ helix	trans	-63.8	-19.7	174.3	62.1	0	0	0	0	113.4	C170 C192 Q196 V197	C170-S194 PolarHBondContact SG-OG 3.32Å; C192-S194 PolarHBondContact O-N 2.81Å; C192-S194 PolarHBondContact SG-OG 2.9Å; S194-Q196 PolarHBondContact O-N 2.99Å; S194-V197 PolarHBondContact O-N 2.84Å
195	A	58.8	Low	67.1	Low	73 Å²	73	97.6 Å²	97.6	60%	0.603	58%	0.58	S	S	*	*	G	3₁₀ helix	trans	-73.5	-15.2	174.6	0	0	0	0	0	113.1	C192 P193	C192-A195 VanDerWaalsContact O-CB 3.31Å; C192-A195 WeakPolarHBondContact O-CB 3.45Å; C192-A195 PolarHBondContact O-N 3.06Å; P193-A195 PolarHBondContact O-N 3.23Å
196	Q	57.9	Low	67.2	Low	168 Å²	168	98 Å²	98	79%	0.785	57%	0.569	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.4	-16.8	176.8	-71.8	-176.7	-37.4	0	0	113.2	P193 S194 G198	P193-Q196 PolarHBondContact O-N 3.46Å; S194-Q196 PolarHBondContact O-N 2.99Å; Q196-G198 PolarHBondContact O-N 3.31Å; Q196-G198 VanDerWaalsContact O-N 3.09Å
197	V	56	Low	67.1	Low	114 Å²	114	101.1 Å²	101.1	69%	0.691	59%	0.588	S	S	*	*	S	Bend	trans	-84.6	90.6	178.6	-170.2	0	0	0	0	108	S194 G199	S194-V197 PolarHBondContact O-N 2.84Å; V197-G199 PolarHBondContact O-N 2.79Å
198	G	40.8	Very low	67	Low	84 Å²	84	100.4 Å²	100.4	87%	0.866	58%	0.58	S	S	*	*			trans	-57.8	113.1	-177.8	0	0	0	0	0	112.8	Q196	Q196-G198 PolarHBondContact O-N 3.31Å; Q196-G198 VanDerWaalsContact O-N 3.09Å
199	G	44.9	Very low	66.9	Low	59 Å²	59	96.9 Å²	96.9	61%	0.608	56%	0.561	S	S	*	*			trans	-174.6	78.1	173.4	0	0	0	0	0	112.2	V197 Q201	V197-G199 PolarHBondContact O-N 2.79Å; G199-Q201 VanDerWaalsContact C-N 3.27Å; G199-Q201 PolarHBondContact O-N 2.88Å
200	G	48.4	Very low	67	Low	88 Å²	88	95.2 Å²	95.2	91%	0.907	55%	0.549	S	S	*	.	T	Hydrogen-bonded Turn	trans	47.8	-22.5	148.8	0	0	0	0	0	124.2
201	Q	52.4	Low	67.3	Low	192 Å²	192	90 Å²	90	90%	0.897	53%	0.531	S	S	*	.	T	Hydrogen-bonded Turn	trans	-139.6	0.8	-169.3	-73.9	-178.9	-11.3	0	0	114.3	G199 T203	G199-Q201 VanDerWaalsContact C-N 3.27Å; G199-Q201 PolarHBondContact O-N 2.88Å; Q201-T203 PolarHBondContact O-N 2.92Å
202	A	55.6	Low	67.6	Low	67 Å²	67	85.3 Å²	85.3	55%	0.554	51%	0.514	S	S	*	.			trans	-77.3	115.3	174.7	0	0	0	0	0	110.7	R204	A202-R204 PolarHBondContact O-N 2.85Å
203	T	58.8	Low	68.2	Low	104 Å²	104	85.9 Å²	85.9	64%	0.638	52%	0.517	S	S	*	.			trans	-48.2	121.5	172.1	36.3	0	0	0	0	110.5	Q201 C205	Q201-T203 PolarHBondContact O-N 2.92Å; T203-C205 PolarHBondContact O-N 2.86Å
204	R	66.4	Low	68.9	Low	245 Å²	245	87.4 Å²	87.4	93%	0.925	53%	0.528	S	S	*	.			trans	-57.4	110.1	176.7	-70.6	-175.8	179.7	-177.9	0.6	108.6	A202	A202-R204 PolarHBondContact O-N 2.85Å
205	C	73.5	Confident	69.9	Low	26 Å²	26	93 Å²	93	18%	0.176	56%	0.555	C	S	.	*	P	Polyproline II helix	trans	-68.6	141	177.1	-67.6	0	0	0	0	109.7	C167 C170 C192 T203 P209	C167-C205 VanDerWaalsContact SG-SG 3.61Å; C170-C205 PolarHBondContact N-SG 3.49Å; C192-C205 HydrophobicContact CB-CB 4.15Å; T203-C205 PolarHBondContact O-N 2.86Å; C205-P209 HydrophobicContact CB-CB 4.18Å; C205-P209 HydrophobicContact CB-CG 4.24Å
206	P	77.6	Confident	71.3	Confident	82 Å²	82	95.4 Å²	95.4	53%	0.532	55%	0.552	S	S	.	*	P	Polyproline II helix	trans	-62.6	162.8	175.8	27.4	-34.1	0	0	0	111.2	P209	P206-P209 HydrophobicContact CG-CB 4.21Å; P206-P209 WeakPolarHBondContact O-CB 3.36Å; P206-P209 VanDerWaalsContact O-CD 3.24Å; P206-P209 WeakPolarHBondContact O-CD 3.38Å; P206-P209 WeakPolarHBondContact O-CG 3.1Å
207	I	79.2	Confident	72.7	Confident	140 Å²	140	88.3 Å²	88.3	72%	0.718	52%	0.521	S	S	*	.	S	Bend	trans	-63	136.8	169.6	-57.1	172.3	0	0	0	107.8	R190	R190-I207 HydrophobicContact CB-CG2 4.49Å
208	D	81.3	Confident	74.2	Confident	94 Å²	94	86.6 Å²	86.6	50%	0.503	51%	0.508	S	S	.	.	S	Bend	trans	58.4	56.7	-174	-54.3	-28.6	0	0	0	114.3	R190 F210	R190-D208 VanDerWaalsContact CA-OD1 3.22Å; R190-D208 WeakPolarHBondContact CA-OD1 3.42Å; R190-D208 VanDerWaalsContact CB-OD1 3.23Å; R190-D208 WeakPolarHBondContact CB-OD1 3.27Å; R190-D208 WeakPolarHBondContact CG-OD1 3.3Å; R190-D208 PolarHBondContact O-N 3.21Å; D208-F210 VanDerWaalsContact C-N 3.32Å; D208-F210 PolarHBondContact O-N 2.83Å
209	P	83	Confident	76.5	Confident	1 Å²	1	86.3 Å²	86.3	1%	0.006	49%	0.491	C	S	.	.			trans	-84.2	-4.9	-173.8	36	-34.7	0	0	0	113.5	R168 C192 C205 P206	R168-P209 WeakPolarHBondContact CB-O 3.21Å; R168-P209 WeakPolarHBondContact CG-O 3.34Å; R168-P209 PolarHBondContact N-O 3.25Å; C192-P209 HydrophobicContact CB-CG 4.1Å; C205-P209 HydrophobicContact CB-CB 4.18Å; C205-P209 HydrophobicContact CB-CG 4.24Å; P206-P209 HydrophobicContact CG-CB 4.21Å; P206-P209 WeakPolarHBondContact O-CB 3.36Å; P206-P209 VanDerWaalsContact O-CD 3.24Å; P206-P209 WeakPolarHBondContact O-CD 3.38Å; P206-P209 WeakPolarHBondContact O-CG 3.1Å
210	F	86.7	Confident	78.7	Confident	14 Å²	14	84.7 Å²	84.7	6%	0.061	47%	0.469	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	136.3	-172.4	-70.4	-77.6	0	0	0	112.7	L165 Q166 C167 L174 P189 C192 D208	L165-F210 HydrophobicContact CB-CB 4.48Å; L165-F210 HydrophobicContact CB-CD1 3.9Å; L165-F210 HydrophobicContact CB-CG 4.49Å; L165-F210 HydrophobicContact CD1-CB 4.41Å; L165-F210 HydrophobicContact CD1-CG 4.48Å; Q166-F210 WeakPolarHBondContact O-CA 3.34Å; C167-F210 HydrophobicContact CB-CD1 4.22Å; C167-F210 HydrophobicContact CB-CE1 3.95Å; L174-F210 HydrophobicContact CD1-CD1 4.31Å; L174-F210 HydrophobicContact CD1-CE1 3.43Å; L174-F210 VanDerWaalsContact CD1-CE1 3.43Å; L174-F210 HydrophobicContact CD1-CE2 4.5Å; L174-F210 HydrophobicContact CD1-CZ 3.53Å; L174-F210 HydrophobicContact CG-CE1 4.04Å; L174-F210 HydrophobicContact CG-CZ 4.47Å; P189-F210 HydrophobicContact CB-CD2 4.46Å; P189-F210 HydrophobicContact CB-CE2 4.27Å; P189-F210 HydrophobicContact CG-CD2 3.73Å; P189-F210 HydrophobicContact CG-CE2 3.75Å; P189-F210 HydrophobicContact CG-CG 4.38Å; P189-F210 HydrophobicContact CG-CZ 4.44Å; P189-F210 VanDerWaalsContact O-CD2 3.29Å; P189-F210 WeakPolarHBondContact O-CD2 3.32Å; C192-F210 HydrophobicContact CB-CE2 4.39Å; C192-F210 HydrophobicContact CB-CZ 4.27Å; D208-F210 VanDerWaalsContact C-N 3.32Å; D208-F210 PolarHBondContact O-N 2.83Å
211	F	88.9	Confident	80.8	Confident	70 Å²	70	84.7 Å²	84.7	31%	0.307	45%	0.449	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	152.8	164.3	67.2	-79.7	0	0	0	109.7	L165 Q166 R168 V213	L165-F211 WeakPolarHBondContact CA-O 3.2Å; Q166-F211 HydrophobicContact CB-CD1 4.33Å; Q166-F211 HydrophobicContact CB-CE1 3.73Å; Q166-F211 HydrophobicContact CB-CE2 4.16Å; Q166-F211 HydrophobicContact CB-CZ 3.65Å; Q166-F211 HydrophobicContact CG-CE1 3.89Å; Q166-F211 HydrophobicContact CG-CZ 3.84Å; Q166-F211 PolarHBondContact N-O 3.19Å; Q166-F211 WeakPolarHBondContact O-CD1 3.3Å; Q166-F211 WeakPolarHBondContact O-CE1 3.12Å; Q166-F211 PolarHBondContact O-N 3.2Å; R168-F211 HydrophobicContact CG-CD1 3.54Å; R168-F211 HydrophobicContact CG-CE1 3.96Å; F211-V213 HydrophobicContact CD2-CG2 4.42Å; F211-V213 HydrophobicContact CE2-CG2 3.97Å
212	I	90.1	Very high	82.7	Confident	76 Å²	76	76.8 Å²	76.8	39%	0.39	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	132.7	177.4	-59.9	166.4	0	0	0	107.9	L163 L165 L188 P214	L163-I212 HydrophobicContact CD2-CD1 4.47Å; L163-I212 HydrophobicContact CD2-CG2 3.89Å; L165-I212 HydrophobicContact CD2-CB 4.26Å; L165-I212 HydrophobicContact CD2-CG1 3.55Å; L188-I212 HydrophobicContact CD2-CG1 4.35Å; I212-P214 VanDerWaalsContact O-CD 3.28Å; I212-P214 WeakPolarHBondContact O-CD 3.43Å
213	V	90.1	Very high	84.4	Confident	16 Å²	16	74.1 Å²	74.1	10%	0.097	39%	0.388	C	S	.	.			trans	-94	100.1	173.5	-179.8	0	0	0	0	108	S164 Q166 F173 F211 D215 K216 C217	S164-V213 PolarHBondContact O-N 3.42Å; Q166-V213 HydrophobicContact CB-CG2 3.6Å; F173-V213 HydrophobicContact CE2-CB 4.26Å; F173-V213 HydrophobicContact CE2-CG2 4.02Å; F211-V213 HydrophobicContact CD2-CG2 4.42Å; F211-V213 HydrophobicContact CE2-CG2 3.97Å; V213-D215 VanDerWaalsContact C-N 3.26Å; V213-D215 HydrophobicContact CG1-CB 4.49Å; V213-D215 PolarHBondContact O-N 3.42Å; V213-K216 HydrophobicContact CG1-CB 4.42Å; V213-K216 HydrophobicContact CG1-CD 4.43Å; V213-K216 HydrophobicContact CG1-CG 4.31Å; V213-K216 PolarHBondContact O-N 2.98Å; V213-C217 PolarHBondContact O-SG 3.2Å
214	P	88.5	Confident	86	Confident	92 Å²	92	71 Å²	71	60%	0.597	37%	0.368	S	S	*	.	G	3₁₀ helix	trans	-61	-34.8	-173	24.8	-34	0	0	0	112.5	I212 K216 C217	I212-P214 VanDerWaalsContact O-CD 3.28Å; I212-P214 WeakPolarHBondContact O-CD 3.43Å; P214-K216 PolarHBondContact O-N 2.87Å; P214-K216 VanDerWaalsContact O-N 3.1Å; P214-C217 PolarHBondContact O-N 3.43Å; P214-C217 VanDerWaalsContact O-N 3.16Å
215	D	89.8	Confident	87.2	Confident	149 Å²	149	59.3 Å²	59.3	80%	0.797	32%	0.324	S	S	*	.	G	3₁₀ helix	trans	-63.5	-19.7	-176	-50.7	-27.5	0	0	0	114.2	V213	V213-D215 VanDerWaalsContact C-N 3.26Å; V213-D215 HydrophobicContact CG1-CB 4.49Å; V213-D215 PolarHBondContact O-N 3.42Å
216	K	87.5	Confident	88	Confident	123 Å²	123	60.7 Å²	60.7	54%	0.535	33%	0.327	S	S	.	.	G	3₁₀ helix	trans	-116.8	19.8	-177.5	-62.6	-178.7	177.3	-176.2	0	112.3	S164 F173 V213 P214	S164-K216 WeakPolarHBondContact CB-O 3.28Å; S164-K216 PolarHBondContact OG-O 2.76Å; F173-K216 HydrophobicContact CE1-CD 3.92Å; F173-K216 HydrophobicContact CE2-CD 3.82Å; F173-K216 HydrophobicContact CZ-CB 4.1Å; F173-K216 HydrophobicContact CZ-CD 3.21Å; F173-K216 HydrophobicContact CZ-CG 4.3Å; V213-K216 HydrophobicContact CG1-CB 4.42Å; V213-K216 HydrophobicContact CG1-CD 4.43Å; V213-K216 HydrophobicContact CG1-CG 4.31Å; V213-K216 PolarHBondContact O-N 2.98Å; P214-K216 PolarHBondContact O-N 2.87Å; P214-K216 VanDerWaalsContact O-N 3.1Å
217	C	87	Confident	88.6	Confident	19 Å²	19	56.9 Å²	56.9	13%	0.128	30%	0.302	C	S	.	.			trans	-100.6	128.8	177.5	-66.7	0	0	0	0	110.2	R162 V213 P214 C219	R162-C217 WeakPolarHBondContact O-CA 3.36Å; V213-C217 PolarHBondContact O-SG 3.2Å; P214-C217 PolarHBondContact O-N 3.43Å; P214-C217 VanDerWaalsContact O-N 3.16Å; C217-C219 PolarHBondContact O-N 2.81Å
218	D	88.5	Confident	89	Confident	78 Å²	78	52.2 Å²	52.2	42%	0.417	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	120.5	172.9	-62.9	-21.4	0	0	0	108.3	A160 V161 R162	A160-D218 CarbonylContact C-O 3.54Å; A160-D218 WeakPolarHBondContact CA-O 3.22Å; V161-D218 PolarHBondContact N-O 3.29Å; R162-D218 HydrophobicContact CB-CB 4.16Å; R162-D218 WeakPolarHBondContact CD-OD2 3.21Å; R162-D218 PolarHBondContact N-O 2.8Å; R162-D218 IonicContact NH1-OD2 2.74Å; R162-D218 PolarHBondContact O-N 2.95Å; R162-D218 VanDerWaalsContact O-N 3.12Å
219	C	89.3	Confident	89.2	Confident	78 Å²	78	48 Å²	48	53%	0.527	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	145.5	-177.9	-61.4	0	0	0	0	111.3	A158 K159 C217	A158-C219 HydrophobicContact CB-CB 4.42Å; K159-C219 CarbonylContact O-C 3.53Å; K159-C219 WeakPolarHBondContact O-CA 3.43Å; C217-C219 PolarHBondContact O-N 2.81Å
220	V	91.1	Very high	89	Confident	24 Å²	24	48.6 Å²	48.6	15%	0.145	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	152.3	171.6	-65.1	0	0	0	0	109.8	K159 V161 D248 R249	K159-V220 HydrophobicContact CB-CG2 4.43Å; K159-V220 PolarHBondContact N-O 3.07Å; K159-V220 PolarHBondContact O-N 3.11Å; V161-V220 HydrophobicContact CG2-CB 4.1Å; V161-V220 HydrophobicContact CG2-CG1 3.49Å; V161-V220 VanDerWaalsContact CG2-CG1 3.49Å; V161-V220 HydrophobicContact CG2-CG2 3.51Å; V220-D248 VanDerWaalsContact CG2-OD1 3.29Å; V220-D248 WeakPolarHBondContact CG2-OD1 3.49Å; V220-R249 HydrophobicContact CB-CG 4.06Å; V220-R249 HydrophobicContact CG1-CG 4.05Å
221	D	92.3	Very high	88.3	Confident	88 Å²	88	50.2 Å²	50.2	47%	0.471	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	134.9	174.7	-65.6	-39.1	0	0	0	110.8	I156 R249	I156-D221 HydrophobicContact CG2-CB 3.67Å; D221-R249 PolarHBondContact O-N 3.42Å
222	F	92.5	Very high	87.5	Confident	27 Å²	27	50 Å²	50	12%	0.118	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	148.2	169.7	80.7	-85.5	0	0	0	111.1	R157 A158 K159 T224 Y246 C247	R157-F222 HydrophobicContact CB-CD1 3.85Å; R157-F222 HydrophobicContact CB-CE1 3.26Å; R157-F222 HydrophobicContact CB-CE2 4.04Å; R157-F222 HydrophobicContact CB-CG 4.5Å; R157-F222 HydrophobicContact CB-CZ 3.38Å; R157-F222 HydrophobicContact CG-CE1 4.48Å; R157-F222 HydrophobicContact CG-CZ 4.18Å; R157-F222 PolarHBondContact N-O 2.79Å; R157-F222 WeakPolarHBondContact O-CD1 3.32Å; R157-F222 PolarHBondContact O-N 3.35Å; A158-F222 WeakPolarHBondContact O-CE1 3.34Å; K159-F222 HydrophobicContact CB-CB 4.5Å; K159-F222 HydrophobicContact CB-CD1 3.46Å; K159-F222 VanDerWaalsContact CB-CD1 3.46Å; K159-F222 HydrophobicContact CB-CE1 3.94Å; K159-F222 HydrophobicContact CB-CG 4.26Å; F222-T224 HydrophobicContact CD2-CG2 4.43Å; F222-T224 HydrophobicContact CE2-CG2 4.39Å; F222-Y246 HydrophobicContact CB-CE2 3.72Å; F222-Y246 HydrophobicContact CD2-CD2 4.27Å; F222-Y246 AromaticContact CD2-CE2 3.8Å; F222-Y246 HydrophobicContact CD2-CE2 3.8Å; F222-Y246 AromaticContact CG-CE2 3.96Å; F222-Y246 HydrophobicContact CG-CE2 3.96Å; F222-C247 VanDerWaalsContact CA-O 3.3Å; F222-C247 WeakPolarHBondContact CA-O 3.39Å
223	Q	91.1	Very high	86.9	Confident	11 Å²	11	49.3 Å²	49.3	5%	0.051	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	143.4	177.3	-169.1	175.4	27.3	0	0	109.5	S154 C247 C252	S154-Q223 WeakPolarHBondContact O-CG 3.33Å; S154-Q223 PolarHBondContact O-NE2 3.11Å; Q223-C247 HydrophobicContact CB-CB 4.45Å; Q223-C247 PolarHBondContact N-O 2.89Å; Q223-C247 PolarHBondContact O-N 3.44Å; Q223-C252 HydrophobicContact CB-CB 4.3Å
224	T	92	Very high	86.2	Confident	37 Å²	37	49.8 Å²	49.8	23%	0.227	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	129.3	174.2	58.4	0	0	0	0	109.9	S154 F222 L245	S154-T224 WeakPolarHBondContact CB-OG1 3.39Å; S154-T224 PolarHBondContact N-O 2.64Å; S154-T224 PolarHBondContact OG-N 2.97Å; S154-T224 PolarHBondContact OG-O 3.39Å; S154-T224 PolarHBondContact OG-OG1 2.81Å; F222-T224 HydrophobicContact CD2-CG2 4.43Å; F222-T224 HydrophobicContact CE2-CG2 4.39Å; T224-L245 VanDerWaalsContact CA-O 3.3Å; T224-L245 WeakPolarHBondContact CA-O 3.31Å
225	I	90.9	Very high	85.8	Confident	0 Å²	0	48 Å²	48	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	137	-179.7	-56.5	172.4	0	0	0	108	A150 S152 L245 C247 V255	A150-I225 HydrophobicContact CB-CG2 3.92Å; S152-I225 CarbonylContact O-C 3.52Å; S152-I225 WeakPolarHBondContact O-CA 3.25Å; I225-L245 HydrophobicContact CB-CB 4.18Å; I225-L245 HydrophobicContact CB-CD1 4.43Å; I225-L245 HydrophobicContact CG2-CD1 4.47Å; I225-L245 PolarHBondContact N-O 3.47Å; I225-L245 WeakPolarHBondContact O-CB 3.2Å; I225-L245 PolarHBondContact O-N 2.85Å; I225-C247 VanDerWaalsContact CD1-SG 3.58Å; I225-V255 HydrophobicContact CD1-CB 3.92Å; I225-V255 HydrophobicContact CD1-CG2 4.06Å
226	K	90.7	Very high	85.2	Confident	55 Å²	55	49.5 Å²	49.5	24%	0.239	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	119.7	170.5	-68.4	-175.7	-169.8	171.8	0	108.8	A150 I151 S152 L244	A150-K226 CarbonylContact C-O 3.58Å; A150-K226 WeakPolarHBondContact CA-O 3.47Å; I151-K226 PolarHBondContact N-O 3.27Å; S152-K226 PolarHBondContact O-N 3.42Å; S152-K226 WeakPolarHBondContact OG-CB 3.3Å; S152-K226 WeakPolarHBondContact OG-CD 3.17Å; S152-K226 WeakPolarHBondContact OG-CG 3.31Å; K226-L244 HydrophobicContact CD-CD2 4.42Å; K226-L244 HydrophobicContact CG-CD2 3.61Å
227	L	90.4	Very high	84.6	Confident	3 Å²	3	47.9 Å²	47.9	2%	0.016	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	135.5	175	-172.9	82.6	0	0	0	110	I146 I149 H242 V243 L245 I261	I146-L227 HydrophobicContact CD1-CD2 3.45Å; I146-L227 VanDerWaalsContact CD1-CD2 3.45Å; I146-L227 HydrophobicContact CG1-CD2 4.1Å; I149-L227 CarbonylContact O-C 3.55Å; L227-H242 CarbonylContact O-C 3.55Å; L227-H242 WeakPolarHBondContact O-CA 3.26Å; L227-H242 VanDerWaalsContact O-CB 3.29Å; L227-H242 WeakPolarHBondContact O-CB 3.49Å; L227-V243 PolarHBondContact N-O 3.07Å; L227-V243 PolarHBondContact O-N 2.92Å; L227-L245 HydrophobicContact CB-CD1 3.9Å; L227-L245 HydrophobicContact CB-CD2 4.36Å; L227-L245 HydrophobicContact CB-CG 4Å; L227-L245 HydrophobicContact CD1-CD1 4.3Å; L227-L245 HydrophobicContact CG-CD1 4.5Å; L227-I261 HydrophobicContact CD1-CD1 3.49Å; L227-I261 VanDerWaalsContact CD1-CD1 3.49Å; L227-I261 HydrophobicContact CD1-CG1 3.3Å
228	Q	87.6	Confident	84.3	Confident	41 Å²	41	51.9 Å²	51.9	19%	0.192	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	149.1	171.2	-159.7	166.6	20.6	0	0	111.1	G148 I149 I151 P240	G148-Q228 CarbonylContact C-O 3.6Å; G148-Q228 WeakPolarHBondContact CA-O 3.5Å; I149-Q228 PolarHBondContact N-O 3.27Å; I149-Q228 PolarHBondContact O-N 2.92Å; I151-Q228 HydrophobicContact CD1-CB 3.54Å; I151-Q228 HydrophobicContact CD1-CG 3.93Å; I151-Q228 HydrophobicContact CG1-CB 3.7Å; I151-Q228 HydrophobicContact CG1-CG 4.4Å; Q228-P240 HydrophobicContact CG-CB 3.94Å; Q228-P240 HydrophobicContact CG-CG 4.43Å
229	E	85.5	Confident	83.7	Confident	5 Å²	5	55.6 Å²	55.6	2%	0.023	32%	0.315	C	S	.	.			trans	-54.1	146.7	165.8	-76.2	166.2	-169.1	0	0	111.9	L132 R133 V234 R241	L132-E229 HydrophobicContact CB-CG 3.52Å; L132-E229 VanDerWaalsContact CB-OE1 3.26Å; L132-E229 WeakPolarHBondContact CB-OE1 3.44Å; L132-E229 HydrophobicContact CD2-CG 3.82Å; L132-E229 HydrophobicContact CG-CG 4.21Å; R133-E229 WeakPolarHBondContact CG-OE1 3.37Å; R133-E229 IonicContact CZ-OE2 2.59Å; R133-E229 IonicContact NE-OE1 2.75Å; R133-E229 IonicContact NE-OE2 3.01Å; R133-E229 PolarHBondContact NE-OE2 3.38Å; R133-E229 IonicContact NH2-OE2 2.58Å; E229-V234 HydrophobicContact CB-CG2 4.2Å; E229-R241 PolarHBondContact N-O 3.33Å; E229-R241 WeakPolarHBondContact OE1-CB 3.18Å; E229-R241 PolarHBondContact OE2-N 3.39Å
230	T	79	Confident	83.3	Confident	15 Å²	15	53.6 Å²	53.6	9%	0.092	30%	0.301	C	S	.	.			trans	-69.2	141.4	169.8	53.6	0	0	0	0	109.7	E232 T233	T230-E232 PolarHBondContact O-N 3.37Å; T230-T233 PolarHBondContact O-N 3.44Å; T230-T233 PolarHBondContact O-OG1 2.91Å; T230-T233 PolarHBondContact OG1-OG1 3.32Å
231	P	72.5	Confident	83.1	Confident	47 Å²	47	58.5 Å²	58.5	31%	0.305	32%	0.316	S	S	.	.	G	3₁₀ helix	trans	-59.3	-26.3	-174.6	23.8	-34.3	0	0	0	113.3	T233 V234 I412	P231-T233 VanDerWaalsContact C-N 3.28Å; P231-T233 PolarHBondContact O-N 2.64Å; P231-V234 PolarHBondContact O-N 2.78Å; P231-I412 HydrophobicContact CG-CD1 4.15Å; P231-I412 HydrophobicContact CG-CG1 4.42Å
232	E	71.6	Confident	83	Confident	66 Å²	66	59.4 Å²	59.4	31%	0.308	32%	0.318	S	S	.	.	G	3₁₀ helix	trans	-66.8	-26.6	179.5	-64	153.6	-149	0	0	113.2	T230 R260 V311	T230-E232 PolarHBondContact O-N 3.37Å; E232-R260 IonicContact OE1-NH1 3.57Å; E232-R260 PolarHBondContact OE1-NH1 2.86Å; E232-R260 IonicContact OE1-NH2 3.46Å; E232-V311 WeakPolarHBondContact OE2-CG2 3.47Å
233	T	76.2	Confident	82.9	Confident	62 Å²	62	58.8 Å²	58.8	38%	0.38	32%	0.316	S	S	.	.	G	3₁₀ helix	trans	-94.3	-4.7	-179.4	60.3	0	0	0	0	113.2	T230 P231 P235	T230-T233 PolarHBondContact O-N 3.44Å; T230-T233 PolarHBondContact O-OG1 2.91Å; T230-T233 PolarHBondContact OG1-OG1 3.32Å; P231-T233 VanDerWaalsContact C-N 3.28Å; P231-T233 PolarHBondContact O-N 2.64Å; T233-P235 WeakPolarHBondContact O-CD 3.3Å
234	V	76.9	Confident	83	Confident	26 Å²	26	61.2 Å²	61.2	16%	0.158	33%	0.329	C	S	.	.	S	Bend	trans	-84.1	121.8	-175	-176.9	0	0	0	0	109.3	E229 P231 P240	E229-V234 HydrophobicContact CB-CG2 4.2Å; P231-V234 PolarHBondContact O-N 2.78Å; V234-P240 HydrophobicContact CG2-CB 3.84Å
235	P	79.7	Confident	83.1	Confident	55 Å²	55	59.5 Å²	59.5	36%	0.357	32%	0.319	S	S	.	.	P	Polyproline II helix	trans	-65.2	141.4	173.7	27	-32.4	0	0	0	110.4	T233 G237 E238	T233-P235 WeakPolarHBondContact O-CD 3.3Å; P235-G237 PolarHBondContact O-N 3.03Å; P235-E238 HydrophobicContact CG-CB 4.31Å; P235-E238 HydrophobicContact CG-CG 4.41Å; P235-E238 PolarHBondContact O-N 3.34Å
236	H	77.2	Confident	83.3	Confident	180 Å²	180	59.6 Å²	59.6	83%	0.833	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.4	131.8	179.6	-58.8	-55	0	0	0	111.4
237	G	75	Confident	83.4	Confident	88 Å²	88	57 Å²	57	91%	0.907	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	95.6	-10.9	177.5	0	0	0	0	0	115.2	P235	P235-G237 PolarHBondContact O-N 3.03Å
238	E	80.4	Confident	83.4	Confident	103 Å²	103	57.5 Å²	57.5	48%	0.481	31%	0.31	S	S	.	.	S	Bend	trans	-102.5	150.1	173.6	-67.7	-164.4	-166.6	0	0	112.7	R133 P235	R133-E238 IonicContact CZ-OE2 3.07Å; R133-E238 IonicContact NH1-OE2 3.08Å; R133-E238 PolarHBondContact NH1-OE2 3.06Å; R133-E238 IonicContact NH2-OE2 3.61Å; R133-E238 PolarHBondContact NH2-OE2 3.1Å; P235-E238 HydrophobicContact CG-CB 4.31Å; P235-E238 HydrophobicContact CG-CG 4.41Å; P235-E238 PolarHBondContact O-N 3.34Å
239	M	75	Confident	83.5	Confident	157 Å²	157	57.9 Å²	57.9	77%	0.773	31%	0.31	S	S	*	.	P	Polyproline II helix	trans	-74.2	135.1	169.8	-170.8	176.2	173.1	0	0	109.4	R133 R241	R133-M239 PolarHBondContact NH2-O 3.2Å; M239-R241 PolarHBondContact O-N 3.44Å
240	P	82.1	Confident	83.7	Confident	36 Å²	36	61.3 Å²	61.3	23%	0.234	32%	0.323	C	S	.	.	P	Polyproline II helix	trans	-54.9	132.4	174	19.2	-32.6	0	0	0	111.5	Q228 V234	Q228-P240 HydrophobicContact CG-CB 3.94Å; Q228-P240 HydrophobicContact CG-CG 4.43Å; V234-P240 HydrophobicContact CG2-CB 3.84Å
241	R	87.4	Confident	84.2	Confident	127 Å²	127	60.7 Å²	60.7	48%	0.479	32%	0.319	S	S	.	.	P	Polyproline II helix	trans	-79	159.2	177.1	-56	178.9	179.4	-179.3	2.1	110.3	L132 E229 M239	L132-R241 HydrophobicContact CD2-CB 4.03Å; E229-R241 PolarHBondContact N-O 3.33Å; E229-R241 WeakPolarHBondContact OE1-CB 3.18Å; E229-R241 PolarHBondContact OE2-N 3.39Å; M239-R241 PolarHBondContact O-N 3.44Å
242	H	89.6	Confident	85.1	Confident	107 Å²	107	59.2 Å²	59.2	50%	0.495	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	149.9	176.7	59.4	-93.1	0	0	0	110.9	I151 L227	I151-H242 HydrophobicContact CD1-CB 4.28Å; L227-H242 CarbonylContact O-C 3.55Å; L227-H242 WeakPolarHBondContact O-CA 3.26Å; L227-H242 VanDerWaalsContact O-CB 3.29Å; L227-H242 WeakPolarHBondContact O-CB 3.49Å
243	V	91	Very high	85.7	Confident	14 Å²	14	63.1 Å²	63.1	9%	0.085	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	149.8	175.9	159.7	0	0	0	0	111	L132 L227 I293	L132-V243 HydrophobicContact CD1-CB 3.84Å; L132-V243 HydrophobicContact CD1-CG2 3.34Å; L132-V243 HydrophobicContact CD2-CB 4.23Å; L132-V243 HydrophobicContact CD2-CG2 3.92Å; L132-V243 HydrophobicContact CG-CG2 4.12Å; L227-V243 PolarHBondContact N-O 3.07Å; L227-V243 PolarHBondContact O-N 2.92Å; V243-I293 HydrophobicContact CG1-CD1 3.83Å; V243-I293 HydrophobicContact CG1-CG1 4Å
244	L	92.9	Very high	86.2	Confident	62 Å²	62	64.4 Å²	64.4	33%	0.325	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	126.7	175.3	-69.5	165.7	0	0	0	110.4	K226 Y292 I293	K226-L244 HydrophobicContact CD-CD2 4.42Å; K226-L244 HydrophobicContact CG-CD2 3.61Å; L244-Y292 CarbonylContact O-C 3.58Å; L244-Y292 WeakPolarHBondContact O-CA 3.4Å; L244-Y292 WeakPolarHBondContact O-CB 3.04Å; L244-I293 PolarHBondContact O-N 3.22Å
245	L	93.8	Very high	86.5	Confident	1 Å²	1	63.4 Å²	63.4	1%	0.005	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	139.8	171.7	-54.3	-177.5	0	0	0	109.7	I146 T224 I225 L227 I261 V263 I293 V295	I146-L245 HydrophobicContact CD1-CD2 4.27Å; T224-L245 VanDerWaalsContact CA-O 3.3Å; T224-L245 WeakPolarHBondContact CA-O 3.31Å; I225-L245 HydrophobicContact CB-CB 4.18Å; I225-L245 HydrophobicContact CB-CD1 4.43Å; I225-L245 HydrophobicContact CG2-CD1 4.47Å; I225-L245 PolarHBondContact N-O 3.47Å; I225-L245 WeakPolarHBondContact O-CB 3.2Å; I225-L245 PolarHBondContact O-N 2.85Å; L227-L245 HydrophobicContact CB-CD1 3.9Å; L227-L245 HydrophobicContact CB-CD2 4.36Å; L227-L245 HydrophobicContact CB-CG 4Å; L227-L245 HydrophobicContact CD1-CD1 4.3Å; L227-L245 HydrophobicContact CG-CD1 4.5Å; L245-I261 HydrophobicContact CD1-CD1 3.84Å; L245-V263 HydrophobicContact CD1-CG1 4.33Å; L245-V263 HydrophobicContact CD1-CG2 3.8Å; L245-V263 HydrophobicContact CD2-CG1 4.24Å; L245-I293 CarbonylContact C-O 3.53Å; L245-I293 WeakPolarHBondContact CA-O 3.38Å; L245-I293 HydrophobicContact CD2-CB 3.79Å; L245-I293 HydrophobicContact CD2-CD1 4.49Å; L245-I293 HydrophobicContact CD2-CG2 4.18Å; L245-V295 HydrophobicContact CB-CG2 3.8Å; L245-V295 HydrophobicContact CD1-CG2 4.34Å; L245-V295 HydrophobicContact CD2-CG2 4.39Å; L245-V295 HydrophobicContact CG-CG2 4.41Å
246	Y	94.3	Very high	86.3	Confident	1 Å²	1	64.9 Å²	64.9	0%	0.004	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	113.8	171.1	173.8	-86.8	0	0	0	108.8	K159 L183 F222 D248 I293 R294 V295	K159-Y246 HydrophobicContact CD-CE2 4.47Å; K159-Y246 WeakPolarHBondContact CD-OH 3.42Å; L183-Y246 HydrophobicContact CD2-CD2 3.63Å; L183-Y246 HydrophobicContact CD2-CE2 4Å; L183-Y246 HydrophobicContact CG-CD2 3.86Å; L183-Y246 HydrophobicContact CG-CE2 4.5Å; F222-Y246 HydrophobicContact CB-CE2 3.72Å; F222-Y246 HydrophobicContact CD2-CD2 4.27Å; F222-Y246 AromaticContact CD2-CE2 3.8Å; F222-Y246 HydrophobicContact CD2-CE2 3.8Å; F222-Y246 AromaticContact CG-CE2 3.96Å; F222-Y246 HydrophobicContact CG-CE2 3.96Å; Y246-D248 HydrophobicContact CE1-CB 3.9Å; Y246-D248 PolarHBondContact OH-OD2 3.06Å; Y246-I293 PolarHBondContact N-O 2.84Å; Y246-R294 HydrophobicContact CD1-CG 4.1Å; Y246-V295 WeakPolarHBondContact O-CB 3.26Å; Y246-V295 PolarHBondContact O-N 3.49Å
247	C	92.9	Very high	86.3	Confident	0 Å²	0	57.5 Å²	57.5	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	141.2	175.4	-64.3	0	0	0	0	109.8	F222 Q223 I225 L251	F222-C247 VanDerWaalsContact CA-O 3.3Å; F222-C247 WeakPolarHBondContact CA-O 3.39Å; Q223-C247 HydrophobicContact CB-CB 4.45Å; Q223-C247 PolarHBondContact N-O 2.89Å; Q223-C247 PolarHBondContact O-N 3.44Å; I225-C247 VanDerWaalsContact CD1-SG 3.58Å; C247-L251 HydrophobicContact CB-CB 3.94Å
248	D	90.8	Very high	86.1	Confident	14 Å²	14	54.3 Å²	54.3	8%	0.075	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	146.6	-175.5	-150.7	-27	0	0	0	110.6	Q120 V220 Y246 Y250 L251	Q120-D248 PolarHBondContact NE2-O 3.19Å; V220-D248 VanDerWaalsContact CG2-OD1 3.29Å; V220-D248 WeakPolarHBondContact CG2-OD1 3.49Å; Y246-D248 HydrophobicContact CE1-CB 3.9Å; Y246-D248 PolarHBondContact OH-OD2 3.06Å; D248-Y250 PolarHBondContact O-N 2.57Å; D248-L251 PolarHBondContact O-N 3.46Å; D248-L251 VanDerWaalsContact O-N 3.16Å
249	R	89.4	Confident	85.9	Confident	50 Å²	50	51.3 Å²	51.3	19%	0.189	25%	0.25	C	S	.	.	G	3₁₀ helix	trans	49.1	-114.2	175.4	-55.6	175.4	-168.4	162.2	7.4	112.4	E96 V220 D221 L251 C252	E96-R249 IonicContact OE1-NH1 3.48Å; E96-R249 IonicContact OE2-CZ 2.8Å; E96-R249 IonicContact OE2-NH1 3.87Å; E96-R249 PolarHBondContact OE2-NH1 2.91Å; E96-R249 IonicContact OE2-NH2 2.74Å; E96-R249 PolarHBondContact OE2-NH2 2.82Å; V220-R249 HydrophobicContact CB-CG 4.06Å; V220-R249 HydrophobicContact CG1-CG 4.05Å; D221-R249 PolarHBondContact O-N 3.42Å; R249-L251 PolarHBondContact O-N 3.32Å; R249-C252 WeakPolarHBondContact O-CB 3.26Å; R249-C252 PolarHBondContact O-N 3.4Å; R249-C252 PolarHBondContact O-SG 3.31Å; R249-C252 VanDerWaalsContact O-SG 3.39Å
250	Y	89.7	Confident	86	Confident	77 Å²	77	44.4 Å²	44.4	30%	0.302	22%	0.216	S	C	.	.	G	3₁₀ helix	trans	-72.6	-6.4	-173.1	-70.3	-78.2	0	0	0	114.8	Y64 F65 D248 R254	Y64-Y250 WeakPolarHBondContact CD2-OH 3.37Å; Y64-Y250 PolarHBondContact N-OH 3.01Å; F65-Y250 HydrophobicContact CB-CD2 4.13Å; F65-Y250 HydrophobicContact CD1-CD1 4.07Å; F65-Y250 HydrophobicContact CD1-CD2 4.17Å; F65-Y250 HydrophobicContact CD1-CE1 4.48Å; F65-Y250 AromaticContact CD1-CG 3.9Å; F65-Y250 HydrophobicContact CD1-CG 3.9Å; D248-Y250 PolarHBondContact O-N 2.57Å; Y250-R254 PolarHBondContact O-NE 2.94Å; Y250-R254 PolarHBondContact O-NH2 3.01Å
251	L	90.2	Very high	86.2	Confident	1 Å²	1	42.7 Å²	42.7	1%	0.005	21%	0.205	C	C	.	.	G	3₁₀ helix	trans	-85.2	-10.6	174.7	-66.3	173.4	0	0	0	112.8	L122 C247 D248 R249 V295 L298	L122-L251 HydrophobicContact CD1-CD2 4.4Å; L122-L251 HydrophobicContact CD2-CD1 3.9Å; L122-L251 HydrophobicContact CD2-CD2 3.92Å; L122-L251 HydrophobicContact CD2-CG 3.9Å; C247-L251 HydrophobicContact CB-CB 3.94Å; D248-L251 PolarHBondContact O-N 3.46Å; D248-L251 VanDerWaalsContact O-N 3.16Å; R249-L251 PolarHBondContact O-N 3.32Å; L251-V295 HydrophobicContact CD1-CB 4.2Å; L251-V295 HydrophobicContact CD1-CG1 3.8Å; L251-L298 HydrophobicContact CD2-CB 4.09Å
252	C	90.3	Very high	86.3	Confident	16 Å²	16	37.2 Å²	37.2	11%	0.108	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.4	147.9	172.4	-59.4	0	0	0	0	110.8	I156 Q223 R249 R254	I156-C252 HydrophobicContact CD1-CB 4.5Å; Q223-C252 HydrophobicContact CB-CB 4.3Å; R249-C252 WeakPolarHBondContact O-CB 3.26Å; R249-C252 PolarHBondContact O-N 3.4Å; R249-C252 PolarHBondContact O-SG 3.31Å; R249-C252 VanDerWaalsContact O-SG 3.39Å; C252-R254 PolarHBondContact O-N 3.31Å
253	E	86	Confident	86.4	Confident	149 Å²	149	32.1 Å²	32.1	70%	0.696	16%	0.162	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.5	5.2	-179.7	-55.9	-170.9	146	0	0	116.3	I156 V255	I156-E253 HydrophobicContact CD1-CG 3.55Å; I156-E253 WeakPolarHBondContact CD1-OE1 3.32Å; I156-E253 HydrophobicContact CG1-CG 4.25Å; E253-V255 VanDerWaalsContact C-N 3.35Å
254	R	84.9	Confident	86.5	Confident	88 Å²	88	31.8 Å²	31.8	33%	0.332	16%	0.16	S	C	.	.			trans	-74.2	-24.7	176.5	-69.7	-160	-176.8	-171.9	0.9	114	Y250 C252	Y250-R254 PolarHBondContact O-NE 2.94Å; Y250-R254 PolarHBondContact O-NH2 3.01Å; C252-R254 PolarHBondContact O-N 3.31Å
255	V	83.3	Confident	86.5	Confident	5 Å²	5	28.9 Å²	28.9	3%	0.03	14%	0.144	C	C	.	.			trans	-117	128	-172.2	-176.8	0	0	0	0	110.5	A150 I225 E253 I261 L298 V300	A150-V255 HydrophobicContact CB-CG1 3.54Å; I225-V255 HydrophobicContact CD1-CB 3.92Å; I225-V255 HydrophobicContact CD1-CG2 4.06Å; E253-V255 VanDerWaalsContact C-N 3.35Å; V255-I261 HydrophobicContact CG1-CD1 4.29Å; V255-I261 HydrophobicContact CG1-CG2 3.83Å; V255-I261 HydrophobicContact CG2-CD1 4.49Å; V255-I261 HydrophobicContact CG2-CG2 4.01Å; V255-L298 HydrophobicContact CG2-CD1 3.53Å; V255-L298 HydrophobicContact CG2-CD2 3.44Å; V255-L298 VanDerWaalsContact CG2-CD2 3.44Å; V255-L298 HydrophobicContact CG2-CG 4.14Å; V255-V300 HydrophobicContact CG2-CG2 4.14Å
256	V	77.2	Confident	86.5	Confident	86 Å²	86	29.2 Å²	29.2	52%	0.521	15%	0.146	S	C	.	.			trans	-97.8	139.4	169.2	-177	0	0	0	0	108.7	G258 N259	V256-G258 PolarHBondContact O-N 2.71Å; V256-N259 WeakPolarHBondContact O-CB 3.39Å; V256-N259 PolarHBondContact O-N 2.77Å
257	P	77.2	Confident	86.4	Confident	26 Å²	26	30.7 Å²	30.7	17%	0.169	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-49.2	134.3	169.3	-30.2	38	0	0	0	112.6	A150 I151	A150-P257 CarbonylContact O-C 3.56Å; A150-P257 WeakPolarHBondContact O-CA 3.29Å; I151-P257 WeakPolarHBondContact O-CB 3.34Å
258	G	69.6	Low	86.3	Confident	21 Å²	21	31.8 Å²	31.8	22%	0.216	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	100.1	-17.1	-175.1	0	0	0	0	0	114.2	A150 V256	A150-G258 PolarHBondContact O-N 3.45Å; V256-G258 PolarHBondContact O-N 2.71Å
259	N	75.4	Confident	86.1	Confident	40 Å²	40	33.3 Å²	33.3	21%	0.214	17%	0.167	C	C	.	.			trans	-74.6	140.9	178.7	-68.4	-3.5	0	0	0	111.6	I149 A150 V256 I261 V300	I149-N259 WeakPolarHBondContact CA-O 3.31Å; A150-N259 PolarHBondContact N-O 3.44Å; V256-N259 WeakPolarHBondContact O-CB 3.39Å; V256-N259 PolarHBondContact O-N 2.77Å; N259-I261 HydrophobicContact CB-CG2 4.38Å; N259-V300 HydrophobicContact CB-CG1 4.04Å
260	R	77.2	Confident	85.8	Confident	12 Å²	12	35.9 Å²	35.9	5%	0.045	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	129.8	163	-73.9	179	-173.7	-151.8	0.8	108.2	G148 I149 E232 D301 R307 L446	G148-R260 WeakPolarHBondContact O-CA 3.34Å; I149-R260 HydrophobicContact CD1-CG 4.33Å; I149-R260 HydrophobicContact CG1-CG 3.69Å; E232-R260 IonicContact OE1-NH1 3.57Å; E232-R260 PolarHBondContact OE1-NH1 2.86Å; E232-R260 IonicContact OE1-NH2 3.46Å; R260-D301 HydrophobicContact CB-CB 4.39Å; R260-D301 PolarHBondContact O-N 3.46Å; R260-D301 VanDerWaalsContact O-N 3.11Å; R260-R307 VanDerWaalsContact NE-NH1 3.15Å; R260-L446 PolarHBondContact NH2-O 3.16Å
261	I	87	Confident	84.9	Confident	0 Å²	0	35.5 Å²	35.5	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	138.4	-179.2	58.5	173	0	0	0	109.6	G148 A150 L227 L245 V255 N259 V263 L298 T299 V300	G148-I261 PolarHBondContact N-O 3.46Å; G148-I261 VanDerWaalsContact N-O 3.07Å; G148-I261 PolarHBondContact O-N 3.22Å; A150-I261 HydrophobicContact CB-CD1 4.16Å; L227-I261 HydrophobicContact CD1-CD1 3.49Å; L227-I261 VanDerWaalsContact CD1-CD1 3.49Å; L227-I261 HydrophobicContact CD1-CG1 3.3Å; L245-I261 HydrophobicContact CD1-CD1 3.84Å; V255-I261 HydrophobicContact CG1-CD1 4.29Å; V255-I261 HydrophobicContact CG1-CG2 3.83Å; V255-I261 HydrophobicContact CG2-CD1 4.49Å; V255-I261 HydrophobicContact CG2-CG2 4.01Å; N259-I261 HydrophobicContact CB-CG2 4.38Å; I261-V263 HydrophobicContact CB-CG2 4.32Å; I261-V263 HydrophobicContact CD1-CG2 3.74Å; I261-V263 HydrophobicContact CG1-CG2 3.92Å; I261-L298 HydrophobicContact CD1-CD1 4.08Å; I261-L298 HydrophobicContact CG2-CD2 4.28Å; I261-T299 WeakPolarHBondContact CA-O 3.39Å; I261-V300 HydrophobicContact CG2-CG1 4.44Å; I261-V300 HydrophobicContact CG2-CG2 4.21Å
262	T	89.7	Confident	83.5	Confident	12 Å²	12	37.9 Å²	37.9	7%	0.074	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	126.1	166.3	-59.4	0	0	0	0	107.9	K145 T299	K145-T262 HydrophobicContact CD-CG2 4.26Å; K145-T262 HydrophobicContact CG-CG2 3.96Å; T262-T299 WeakPolarHBondContact CB-OG1 3.45Å; T262-T299 PolarHBondContact N-O 3.32Å; T262-T299 PolarHBondContact O-N 3.04Å; T262-T299 PolarHBondContact O-OG1 3.46Å
263	V	92.2	Very high	82	Confident	0 Å²	0	42.9 Å²	42.9	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	123.1	-168.7	-179.9	0	0	0	0	108.4	K145 I146 L245 I261 V295 L298	K145-V263 WeakPolarHBondContact CA-O 3.4Å; I146-V263 HydrophobicContact CG1-CB 4Å; I146-V263 PolarHBondContact N-O 2.83Å; I146-V263 PolarHBondContact O-N 2.94Å; L245-V263 HydrophobicContact CD1-CG1 4.33Å; L245-V263 HydrophobicContact CD1-CG2 3.8Å; L245-V263 HydrophobicContact CD2-CG1 4.24Å; I261-V263 HydrophobicContact CB-CG2 4.32Å; I261-V263 HydrophobicContact CD1-CG2 3.74Å; I261-V263 HydrophobicContact CG1-CG2 3.92Å; V263-V295 HydrophobicContact CG1-CB 4.24Å; V263-V295 HydrophobicContact CG1-CG1 3.85Å; V263-V295 HydrophobicContact CG1-CG2 3.65Å; V263-L298 HydrophobicContact CG2-CD1 4.16Å; V263-L298 HydrophobicContact CG2-CG 4.48Å
264	V	93.4	Very high	80.3	Confident	7 Å²	7	40.4 Å²	40.4	4%	0.042	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	121.1	167.2	179.9	0	0	0	0	106.9	F123 W125 L143 K145 L296 G297	F123-V264 HydrophobicContact CB-CG1 4.24Å; W125-V264 HydrophobicContact CB-CG1 4.3Å; W125-V264 HydrophobicContact CB-CG2 3.77Å; W125-V264 HydrophobicContact CE3-CG1 4.4Å; L143-V264 HydrophobicContact CD1-CG1 3.9Å; L143-V264 HydrophobicContact CD2-CG1 4.1Å; L143-V264 HydrophobicContact CG-CG1 4.03Å; K145-V264 HydrophobicContact CG-CG2 4.14Å; V264-L296 PolarHBondContact O-N 3.12Å; V264-G297 PolarHBondContact N-O 3.38Å; V264-G297 PolarHBondContact O-N 3.29Å
265	G	92.6	Very high	78.6	Confident	0 Å²	0	42.1 Å²	42.1	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.9	172.7	-174.6	0	0	0	0	0	113.6	V144 R294	V144-G265 WeakPolarHBondContact CG2-O 3.35Å; V144-G265 PolarHBondContact N-O 2.86Å; V144-G265 PolarHBondContact O-N 3.35Å; V144-G265 VanDerWaalsContact O-O 3.12Å; G265-R294 CarbonylContact C-O 3.1Å; G265-R294 WeakPolarHBondContact CA-O 3.5Å
266	V	92.7	Very high	77	Confident	8 Å²	8	51.5 Å²	51.5	5%	0.048	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	125.3	178.1	-173.4	0	0	0	0	108.8	P88 R142 L143 C268 I293 R294 L296	P88-V266 HydrophobicContact CB-CG2 3.7Å; P88-V266 HydrophobicContact CG-CB 4.31Å; P88-V266 HydrophobicContact CG-CG1 3.82Å; P88-V266 HydrophobicContact CG-CG2 3.5Å; R142-V266 WeakPolarHBondContact O-CA 3.47Å; L143-V266 HydrophobicContact CD1-CG2 4.32Å; V266-C268 PolarHBondContact O-N 3.42Å; V266-C268 PolarHBondContact O-SG 3.07Å; V266-C268 VanDerWaalsContact O-SG 3.35Å; V266-I293 WeakPolarHBondContact O-CA 3.44Å; V266-R294 PolarHBondContact N-O 2.86Å; V266-R294 PolarHBondContact O-N 3.44Å; V266-L296 HydrophobicContact CG2-CD1 3.64Å; V266-L296 HydrophobicContact CG2-CG 4.27Å
267	Y	92.5	Very high	75.5	Confident	33 Å²	33	57.8 Å²	57.8	13%	0.129	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	111.2	175.9	-173	-116.1	0	0	0	110	V135 V140 S141 R142 P291 I293	V135-Y267 HydrophobicContact CG1-CD1 3.96Å; V135-Y267 HydrophobicContact CG1-CD2 3.73Å; V135-Y267 HydrophobicContact CG1-CE1 4.01Å; V135-Y267 HydrophobicContact CG1-CE2 3.73Å; V135-Y267 HydrophobicContact CG1-CG 3.85Å; V140-Y267 HydrophobicContact CB-CD1 4.3Å; V140-Y267 HydrophobicContact CG2-CD1 3.6Å; V140-Y267 HydrophobicContact CG2-CE1 3.62Å; S141-Y267 PolarHBondContact N-O 2.96Å; R142-Y267 PolarHBondContact O-N 2.82Å; Y267-P291 HydrophobicContact CE2-CB 3.64Å; Y267-P291 WeakPolarHBondContact OH-CB 3.44Å; Y267-I293 HydrophobicContact CD2-CD1 4.13Å; Y267-I293 HydrophobicContact CD2-CG1 3.71Å
268	C	90	Very high	73.7	Confident	23 Å²	23	61.6 Å²	61.6	16%	0.155	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	159.1	-173.1	-60.7	0	0	0	0	110.9	V266 P291 Y292	V266-C268 PolarHBondContact O-N 3.42Å; V266-C268 PolarHBondContact O-SG 3.07Å; V266-C268 VanDerWaalsContact O-SG 3.35Å; C268-P291 WeakPolarHBondContact O-CA 3.49Å; C268-Y292 CarbonylContact C-O 3.44Å; C268-Y292 WeakPolarHBondContact CA-O 3.42Å; C268-Y292 HydrophobicContact CB-CD1 4.22Å; C268-Y292 HydrophobicContact CB-CD2 4.16Å; C268-Y292 HydrophobicContact CB-CE1 3.76Å; C268-Y292 HydrophobicContact CB-CE2 3.64Å; C268-Y292 HydrophobicContact CB-CG 4.42Å; C268-Y292 VanDerWaalsContact CB-CZ 3.43Å; C268-Y292 PolarHBondContact N-O 3.42Å; C268-Y292 PolarHBondContact O-N 3.05Å
269	I	88.5	Confident	72.5	Confident	45 Å²	45	64.6 Å²	64.6	23%	0.231	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	140	174.3	55.7	171.1	0	0	0	110.5	R289 Y292	I269-R289 HydrophobicContact CB-CB 4.2Å; I269-Y292 WeakPolarHBondContact O-CE1 3.44Å
270	R	82.4	Confident	71.1	Confident	104 Å²	104	67.3 Å²	67.3	39%	0.392	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	118.9	171.9	-171.7	177.3	-179.9	172.7	-0.7	109.7	L183 T272 Q290 Y292	L183-R270 HydrophobicContact CB-CG 4.43Å; R270-T272 HydrophobicContact CG-CG2 4.5Å; R270-T272 PolarHBondContact O-N 3.11Å; R270-Q290 HydrophobicContact CB-CB 4.47Å; R270-Q290 WeakPolarHBondContact CB-O 3.06Å; R270-Q290 PolarHBondContact N-O 3.41Å; R270-Y292 HydrophobicContact CB-CD1 3.84Å; R270-Y292 HydrophobicContact CB-CE1 3.91Å
271	V	69.8	Low	69.6	Low	69 Å²	69	75.1 Å²	75.1	42%	0.418	43%	0.431	S	S	.	.			trans	-77.3	91.3	168.4	-176.9	0	0	0	0	108.7	V273	V271-V273 PolarHBondContact O-N 3.49Å
272	T	62.5	Low	68	Low	51 Å²	51	82.9 Å²	82.9	31%	0.313	47%	0.468	S	S	.	.			trans	-70.7	114.2	162.8	45.5	0	0	0	0	108	R270 S274 R289	R270-T272 HydrophobicContact CG-CG2 4.5Å; R270-T272 PolarHBondContact O-N 3.11Å; T272-S274 VanDerWaalsContact C-N 3.26Å; T272-S274 PolarHBondContact O-N 3.26Å; T272-R289 PolarHBondContact O-NH1 3.1Å
273	V	57.4	Low	66	Low	122 Å²	122	94.4 Å²	94.4	74%	0.739	51%	0.51	S	S	*	.			trans	-72.8	92.1	165.4	-175.9	0	0	0	0	105.4	V271 N275	V271-V273 PolarHBondContact O-N 3.49Å; V273-N275 VanDerWaalsContact C-N 3.31Å; V273-N275 PolarHBondContact O-N 3.2Å
274	S	51.6	Low	64.1	Low	96 Å²	96	99 Å²	99	67%	0.671	54%	0.543	S	S	*	.			trans	-61.3	104.5	165.3	55.3	0	0	0	0	106	T272 K276	T272-S274 VanDerWaalsContact C-N 3.26Å; T272-S274 PolarHBondContact O-N 3.26Å; S274-K276 PolarHBondContact O-N 3.04Å
275	N	49.4	Very low	62.3	Low	125 Å²	125	104.4 Å²	104.4	67%	0.668	57%	0.571	S	S	*	*			trans	-61.4	109.9	173.7	-127.4	-2.5	0	0	0	104.9	V273 R277	V273-N275 VanDerWaalsContact C-N 3.31Å; V273-N275 PolarHBondContact O-N 3.2Å; N275-R277 PolarHBondContact O-N 3.23Å
276	K	48.1	Very low	60.7	Low	202 Å²	202	110 Å²	110	88%	0.878	62%	0.617	S	S	*	*			trans	-64.6	59.3	173.4	-73.9	-177.6	173.8	-179.2	0	110	S274 A278	S274-K276 PolarHBondContact O-N 3.04Å; K276-A278 PolarHBondContact O-N 3.14Å
277	R	47.3	Very low	59.7	Low	218 Å²	218	112.4 Å²	112.4	82%	0.823	64%	0.644	S	S	*	*			trans	-75.6	107	164.8	-78.3	-170	175.6	-177.2	-1.2	106.2	N275	N275-R277 PolarHBondContact O-N 3.23Å
278	A	39.6	Very low	58.9	Low	106 Å²	106	115.6 Å²	115.6	88%	0.876	67%	0.666	S	S	*	*	S	Bend	trans	-39.2	131.3	175.1	0	0	0	0	0	112.4	K276	K276-A278 PolarHBondContact O-N 3.14Å
279	G	42.8	Very low	58.5	Low	84 Å²	84	119.1 Å²	119.1	87%	0.866	68%	0.676	S	S	*	*			trans	148.9	-0.8	162.5	0	0	0	0	0	119.8
280	A	46.6	Very low	58.3	Low	96 Å²	96	122 Å²	122	79%	0.793	69%	0.689	S	S	*	*			trans	-134.4	124	178.6	0	0	0	0	0	112.4	E282	A280-E282 PolarHBondContact O-N 3.2Å
281	N	45.4	Very low	58.7	Low	176 Å²	176	119.4 Å²	119.4	94%	0.941	69%	0.685	S	S	*	*			trans	-80.6	29.6	-161.4	-131.1	0.2	0	0	0	114.4
282	E	52.9	Low	59.8	Low	164 Å²	164	116.6 Å²	116.6	77%	0.766	67%	0.667	S	S	*	*			trans	-108.7	113.9	178	-77.2	-177	154.8	0	0	109.9	A280 S284	A280-E282 PolarHBondContact O-N 3.2Å; E282-S284 PolarHBondContact O-N 3.2Å
283	R	49.1	Very low	61.2	Low	253 Å²	253	114.2 Å²	114.2	96%	0.955	65%	0.652	S	S	*	*			trans	-66	53.8	166.7	-70.8	177.5	171.3	175.5	-2.6	110.6	N285	R283-N285 PolarHBondContact O-N 3.02Å
284	S	52.7	Low	62.9	Low	98 Å²	98	110 Å²	110	69%	0.685	62%	0.623	S	S	*	*			trans	-72.7	98.9	176	51.5	0	0	0	0	109.2	E282 A286	E282-S284 PolarHBondContact O-N 3.2Å; S284-A286 PolarHBondContact O-N 2.99Å
285	N	55.3	Low	64.9	Low	120 Å²	120	105.5 Å²	105.5	64%	0.642	59%	0.592	S	S	*	*			trans	19	94.2	167.8	-64.8	-17.6	0	0	0	116.9	R283 G287 V288	R283-N285 PolarHBondContact O-N 3.02Å; N285-G287 PolarHBondContact O-N 3.11Å; N285-V288 HydrophobicContact CB-CB 4.23Å; N285-V288 HydrophobicContact CB-CG2 3.46Å; N285-V288 VanDerWaalsContact CB-CG2 3.46Å; N285-V288 PolarHBondContact O-N 3.46Å
286	A	59.3	Low	66.9	Low	116 Å²	116	100 Å²	100	96%	0.959	56%	0.562	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.7	5.3	179.1	0	0	0	0	0	116.4	S284	S284-A286 PolarHBondContact O-N 2.99Å
287	G	71.6	Confident	69	Low	60 Å²	60	90.5 Å²	90.5	62%	0.619	52%	0.522	S	S	*	.	T	Hydrogen-bonded Turn	trans	-133	-1.3	-179.5	0	0	0	0	0	115.8	N285 R289	N285-G287 PolarHBondContact O-N 3.11Å; G287-R289 PolarHBondContact O-N 2.92Å
288	V	75.6	Confident	70.9	Confident	99 Å²	99	81 Å²	81	60%	0.6	49%	0.487	S	S	*	.			trans	-75	122.3	-178.3	173.6	0	0	0	0	110	N285	N285-V288 HydrophobicContact CB-CB 4.23Å; N285-V288 HydrophobicContact CB-CG2 3.46Å; N285-V288 VanDerWaalsContact CB-CG2 3.46Å; N285-V288 PolarHBondContact O-N 3.46Å
289	R	80.8	Confident	73.1	Confident	98 Å²	98	78.5 Å²	78.5	37%	0.37	46%	0.462	S	S	.	.			trans	-108.9	152	176.8	-58.4	-55.9	-174.9	-177.4	-1.6	110	I269 T272 G287	I269-R289 HydrophobicContact CB-CB 4.2Å; T272-R289 PolarHBondContact O-NH1 3.1Å; G287-R289 PolarHBondContact O-N 2.92Å
290	Q	84.4	Confident	74.9	Confident	106 Å²	106	76.3 Å²	76.3	50%	0.495	43%	0.431	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	123.8	176.7	-72.5	-177.5	-27.1	0	0	109.4	R270	R270-Q290 HydrophobicContact CB-CB 4.47Å; R270-Q290 WeakPolarHBondContact CB-O 3.06Å; R270-Q290 PolarHBondContact N-O 3.41Å
291	P	90.2	Very high	76	Confident	48 Å²	48	74.6 Å²	74.6	31%	0.312	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	149.7	176.3	32	-34.4	0	0	0	111.3	Y267 C268	Y267-P291 HydrophobicContact CE2-CB 3.64Å; Y267-P291 WeakPolarHBondContact OH-CB 3.44Å; C268-P291 WeakPolarHBondContact O-CA 3.49Å
292	Y	92.8	Very high	76.4	Confident	11 Å²	11	70.2 Å²	70.2	4%	0.043	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	156.2	166.7	71.3	-86.4	0	0	0	109.5	L183 L244 C268 I269 R270 R294	L183-Y292 HydrophobicContact CB-CE1 4.14Å; L183-Y292 HydrophobicContact CD1-CD1 4.21Å; L183-Y292 HydrophobicContact CD1-CD2 4.15Å; L183-Y292 HydrophobicContact CD1-CG 3.98Å; L183-Y292 HydrophobicContact CG-CD2 4.45Å; L183-Y292 HydrophobicContact CG-CE2 4.37Å; L183-Y292 PolarHBondContact N-OH 3.37Å; L244-Y292 CarbonylContact O-C 3.58Å; L244-Y292 WeakPolarHBondContact O-CA 3.4Å; L244-Y292 WeakPolarHBondContact O-CB 3.04Å; C268-Y292 CarbonylContact C-O 3.44Å; C268-Y292 WeakPolarHBondContact CA-O 3.42Å; C268-Y292 HydrophobicContact CB-CD1 4.22Å; C268-Y292 HydrophobicContact CB-CD2 4.16Å; C268-Y292 HydrophobicContact CB-CE1 3.76Å; C268-Y292 HydrophobicContact CB-CE2 3.64Å; C268-Y292 HydrophobicContact CB-CG 4.42Å; C268-Y292 VanDerWaalsContact CB-CZ 3.43Å; C268-Y292 PolarHBondContact N-O 3.42Å; C268-Y292 PolarHBondContact O-N 3.05Å; I269-Y292 WeakPolarHBondContact O-CE1 3.44Å; R270-Y292 HydrophobicContact CB-CD1 3.84Å; R270-Y292 HydrophobicContact CB-CE1 3.91Å; Y292-R294 HydrophobicContact CE2-CB 4.48Å
293	I	93	Very high	76.3	Confident	0 Å²	0	68.6 Å²	68.6	0%	0	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	123.3	177.8	-67.4	169	0	0	0	108.8	V144 I146 V243 L244 L245 Y246 V266 Y267 V295	V144-I293 HydrophobicContact CG2-CD1 4.46Å; I146-I293 HydrophobicContact CD1-CD1 3.24Å; I146-I293 HydrophobicContact CG1-CD1 4.28Å; V243-I293 HydrophobicContact CG1-CD1 3.83Å; V243-I293 HydrophobicContact CG1-CG1 4Å; L244-I293 PolarHBondContact O-N 3.22Å; L245-I293 CarbonylContact C-O 3.53Å; L245-I293 WeakPolarHBondContact CA-O 3.38Å; L245-I293 HydrophobicContact CD2-CB 3.79Å; L245-I293 HydrophobicContact CD2-CD1 4.49Å; L245-I293 HydrophobicContact CD2-CG2 4.18Å; Y246-I293 PolarHBondContact N-O 2.84Å; V266-I293 WeakPolarHBondContact O-CA 3.44Å; Y267-I293 HydrophobicContact CD2-CD1 4.13Å; Y267-I293 HydrophobicContact CD2-CG1 3.71Å; I293-V295 PolarHBondContact O-N 3.07Å
294	R	93.3	Very high	76	Confident	33 Å²	33	58.7 Å²	58.7	13%	0.125	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	114	170.9	177.9	178.2	177.4	-156.7	-3.7	108.4	Y246 G265 V266 Y292 L296	Y246-R294 HydrophobicContact CD1-CG 4.1Å; G265-R294 CarbonylContact C-O 3.1Å; G265-R294 WeakPolarHBondContact CA-O 3.5Å; V266-R294 PolarHBondContact N-O 2.86Å; V266-R294 PolarHBondContact O-N 3.44Å; Y292-R294 HydrophobicContact CE2-CB 4.48Å; R294-L296 HydrophobicContact CG-CD2 4.32Å; R294-L296 PolarHBondContact O-N 3.05Å
295	V	93.7	Very high	75.4	Confident	3 Å²	3	56.1 Å²	56.1	2%	0.018	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	126.7	-178.4	-174.9	0	0	0	0	109.7	L245 Y246 L251 V263 I293 G297 L298	L245-V295 HydrophobicContact CB-CG2 3.8Å; L245-V295 HydrophobicContact CD1-CG2 4.34Å; L245-V295 HydrophobicContact CD2-CG2 4.39Å; L245-V295 HydrophobicContact CG-CG2 4.41Å; Y246-V295 WeakPolarHBondContact O-CB 3.26Å; Y246-V295 PolarHBondContact O-N 3.49Å; L251-V295 HydrophobicContact CD1-CB 4.2Å; L251-V295 HydrophobicContact CD1-CG1 3.8Å; V263-V295 HydrophobicContact CG1-CB 4.24Å; V263-V295 HydrophobicContact CG1-CG1 3.85Å; V263-V295 HydrophobicContact CG1-CG2 3.65Å; I293-V295 PolarHBondContact O-N 3.07Å; V295-G297 WeakPolarHBondContact CG1-O 3.46Å; V295-L298 HydrophobicContact CG1-CB 4.08Å; V295-L298 HydrophobicContact CG1-CD1 4.4Å
296	L	91	Very high	74.3	Confident	8 Å²	8	52.3 Å²	52.3	4%	0.042	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	-23.2	172.4	-56.9	-177.6	0	0	0	111.5	L92 L122 F123 L143 V264 V266 R294	L92-L296 HydrophobicContact CD1-CD1 3.52Å; L92-L296 HydrophobicContact CD1-CD2 3.37Å; L92-L296 HydrophobicContact CD1-CG 4.01Å; L122-L296 WeakPolarHBondContact CA-O 3.43Å; L122-L296 VanDerWaalsContact CD2-O 3.22Å; L122-L296 WeakPolarHBondContact CD2-O 3.36Å; F123-L296 HydrophobicContact CD2-CB 3.92Å; F123-L296 HydrophobicContact CD2-CD1 4.14Å; F123-L296 HydrophobicContact CE2-CD1 4.22Å; F123-L296 PolarHBondContact N-O 3.24Å; L143-L296 HydrophobicContact CD1-CD1 3.77Å; V264-L296 PolarHBondContact O-N 3.12Å; V266-L296 HydrophobicContact CG2-CD1 3.64Å; V266-L296 HydrophobicContact CG2-CG 4.27Å; R294-L296 HydrophobicContact CG-CD2 4.32Å; R294-L296 PolarHBondContact O-N 3.05Å
297	G	90.8	Very high	73.6	Confident	3 Å²	3	48 Å²	48	3%	0.031	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	141.8	176	0	0	0	0	0	110.5	F123 V264 V295	F123-G297 WeakPolarHBondContact O-CA 3.31Å; V264-G297 PolarHBondContact N-O 3.38Å; V264-G297 PolarHBondContact O-N 3.29Å; V295-G297 WeakPolarHBondContact CG1-O 3.46Å
298	L	88.1	Confident	72.1	Confident	18 Å²	18	46.7 Å²	46.7	9%	0.094	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	125.2	179.8	-169.1	143.6	0	0	0	109.7	L251 V255 I261 V263 V295 V300	L251-L298 HydrophobicContact CD2-CB 4.09Å; V255-L298 HydrophobicContact CG2-CD1 3.53Å; V255-L298 HydrophobicContact CG2-CD2 3.44Å; V255-L298 VanDerWaalsContact CG2-CD2 3.44Å; V255-L298 HydrophobicContact CG2-CG 4.14Å; I261-L298 HydrophobicContact CD1-CD1 4.08Å; I261-L298 HydrophobicContact CG2-CD2 4.28Å; V263-L298 HydrophobicContact CG2-CD1 4.16Å; V263-L298 HydrophobicContact CG2-CG 4.48Å; V295-L298 HydrophobicContact CG1-CB 4.08Å; V295-L298 HydrophobicContact CG1-CD1 4.4Å; L298-V300 HydrophobicContact CD2-CG2 3.33Å
299	T	86.1	Confident	70.2	Confident	55 Å²	55	45.8 Å²	45.8	34%	0.337	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	127.4	170.1	59	0	0	0	0	108.4	I261 T262	I261-T299 WeakPolarHBondContact CA-O 3.39Å; T262-T299 WeakPolarHBondContact CB-OG1 3.45Å; T262-T299 PolarHBondContact N-O 3.32Å; T262-T299 PolarHBondContact O-N 3.04Å; T262-T299 PolarHBondContact O-OG1 3.46Å
300	V	79.8	Confident	68.1	Low	38 Å²	38	45 Å²	45	23%	0.23	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	124.7	177.5	-174.4	0	0	0	0	108.2	V255 N259 I261 L298 T302	V255-V300 HydrophobicContact CG2-CG2 4.14Å; N259-V300 HydrophobicContact CB-CG1 4.04Å; I261-V300 HydrophobicContact CG2-CG1 4.44Å; I261-V300 HydrophobicContact CG2-CG2 4.21Å; L298-V300 HydrophobicContact CD2-CG2 3.33Å; V300-T302 VanDerWaalsContact C-N 3.32Å; V300-T302 HydrophobicContact CG1-CG2 3.72Å; V300-T302 PolarHBondContact O-N 2.91Å; V300-T302 VanDerWaalsContact O-N 3.1Å; V300-T302 PolarHBondContact O-OG1 3.1Å
301	D	69.8	Low	65.7	Low	60 Å²	60	42.1 Å²	42.1	32%	0.321	26%	0.26	S	S	.	.			trans	-87.8	76.9	176	-58.1	-31.9	0	0	0	108.8	R260	R260-D301 HydrophobicContact CB-CB 4.39Å; R260-D301 PolarHBondContact O-N 3.46Å; R260-D301 VanDerWaalsContact O-N 3.11Å
302	T	54.5	Low	62.8	Low	83 Å²	83	43.6 Å²	43.6	51%	0.509	27%	0.271	S	S	.	.			trans	-84.7	-31.1	-172	10	0	0	0	0	114.6	V300	V300-T302 VanDerWaalsContact C-N 3.32Å; V300-T302 HydrophobicContact CG1-CG2 3.72Å; V300-T302 PolarHBondContact O-N 2.91Å; V300-T302 VanDerWaalsContact O-N 3.1Å; V300-T302 PolarHBondContact O-OG1 3.1Å
303	E	50.6	Low	59.7	Low	130 Å²	130	46.7 Å²	46.7	61%	0.607	31%	0.306	S	S	*	.	S	Bend	trans	-145.9	138.6	-173.8	-62.3	-165.8	135.3	0	0	112.3	R374	E303-R374 IonicContact OE1-CZ 3.38Å; E303-R374 IonicContact OE1-NH1 3.1Å; E303-R374 PolarHBondContact OE1-NH1 3.17Å; E303-R374 IonicContact OE1-NH2 3.32Å; E303-R374 PolarHBondContact OE1-NH2 3.2Å
304	G	42.2	Very low	56.5	Low	46 Å²	46	52 Å²	52	47%	0.474	35%	0.35	S	S	.	.	S	Bend	trans	98.4	167.7	174.4	0	0	0	0	0	115.3	G306	G304-G306 PolarHBondContact O-N 3.44Å
305	P	39.8	Very low	53.2	Low	43 Å²	43	53.6 Å²	53.6	28%	0.279	38%	0.377	S	S	.	.	S	Bend	trans	-70.5	22.4	174.2	31.2	-33.8	0	0	0	113.7	R307 S308 R583 E584	P305-R307 PolarHBondContact O-N 3.2Å; P305-S308 PolarHBondContact O-N 2.79Å; P305-S308 VanDerWaalsContact O-N 3.16Å; P305-R583 HydrophobicContact CB-CB 4.07Å; P305-R583 HydrophobicContact CG-CB 4.18Å; P305-E584 VanDerWaalsContact CG-CA 3.4Å; P305-E584 HydrophobicContact CG-CB 3.66Å; P305-E584 HydrophobicContact CG-CG 4.09Å
306	G	33.8	Very low	50	Low	40 Å²	40	63.6 Å²	63.6	41%	0.412	42%	0.424	S	S	.	.	G	3₁₀ helix	trans	-59.2	1.2	170.4	0	0	0	0	0	114.7	G304 S308	G304-G306 PolarHBondContact O-N 3.44Å; G306-S308 PolarHBondContact O-N 3.46Å
307	R	43.7	Very low	46.7	Very low	27 Å²	27	66 Å²	66	10%	0.102	45%	0.45	C	S	.	.	G	3₁₀ helix	trans	-69.1	-15	168.5	-66.8	-172.1	173.6	-143.8	-5.6	113.9	R260 P305 V410 L446 D448	R260-R307 VanDerWaalsContact NE-NH1 3.15Å; P305-R307 PolarHBondContact O-N 3.2Å; R307-V410 HydrophobicContact CB-CG2 3.79Å; R307-L446 PolarHBondContact NH1-O 3.12Å; R307-D448 WeakPolarHBondContact CD-O 3.45Å; R307-D448 IonicContact CZ-OD2 3.58Å; R307-D448 PolarHBondContact NE-O 3.1Å; R307-D448 VanDerWaalsContact NE-O 3.08Å; R307-D448 IonicContact NE-OD2 2.62Å; R307-D448 VanDerWaalsContact NH1-C 3.35Å; R307-D448 PolarHBondContact NH1-O 3.42Å; R307-D448 VanDerWaalsContact NH2-CB 3.31Å; R307-D448 IonicContact NH2-OD2 3.49Å; R307-D448 PolarHBondContact NH2-OD2 3.46Å
308	S	39.2	Very low	43.6	Very low	31 Å²	31	72.7 Å²	72.7	22%	0.217	49%	0.491	C	S	.	.	G	3₁₀ helix	trans	-86.2	-7.3	-176.4	-64.2	0	0	0	0	115.5	P305 G306 F310 P409 A580	P305-S308 PolarHBondContact O-N 2.79Å; P305-S308 VanDerWaalsContact O-N 3.16Å; G306-S308 PolarHBondContact O-N 3.46Å; S308-F310 PolarHBondContact O-N 3.07Å; S308-P409 VanDerWaalsContact OG-CB 3.27Å; S308-P409 WeakPolarHBondContact OG-CB 3.12Å; S308-A580 WeakPolarHBondContact OG-CB 3.33Å
309	A	37.6	Very low	40.6	Very low	81 Å²	81	74.1 Å²	74.1	67%	0.669	51%	0.51	S	S	*	.	G	3₁₀ helix	trans	-70.7	-9.2	-176.3	0	0	0	0	0	114.3
310	F	34.8	Very low	37.6	Very low	80 Å²	80	73.3 Å²	73.3	35%	0.351	51%	0.509	S	S	.	.	G	3₁₀ helix	trans	-106.2	-6.9	-171.9	-114.7	-81.4	0	0	0	117	A129 S308	A129-F310 HydrophobicContact CB-CE1 3.34Å; A129-F310 HydrophobicContact CB-CE2 4.06Å; A129-F310 HydrophobicContact CB-CZ 3.01Å; S308-F310 PolarHBondContact O-N 3.07Å
311	V	34.2	Very low	35.2	Very low	47 Å²	47	74.1 Å²	74.1	29%	0.285	52%	0.52	S	S	.	.			trans	-112.7	45.8	-172.5	-161.6	0	0	0	0	112.1	E232	E232-V311 WeakPolarHBondContact OE2-CG2 3.47Å
312	S	29.8	Very low	33.8	Very low	78 Å²	78	74.4 Å²	74.4	55%	0.545	53%	0.53	S	S	.	.			trans	-121.6	62.8	159.5	-65.8	0	0	0	0	108.9	R577	S312-R577 PolarHBondContact OG-NE 2.88Å
313	G	27.4	Very low	33.2	Very low	76 Å²	76	76.1 Å²	76.1	78%	0.784	54%	0.541	S	S	*	.			trans	-116.5	94.5	174.9	0	0	0	0	0	110.9
314	A	26.2	Very low	33.3	Very low	111 Å²	111	72.3 Å²	72.3	92%	0.917	52%	0.524	S	S	*	.	S	Bend	trans	171.6	62.6	149.6	0	0	0	0	0	108.6
315	G	25	Very low	34.4	Very low	68 Å²	68	73.5 Å²	73.5	70%	0.701	52%	0.522	S	S	*	.			trans	-160.6	114.3	173.9	0	0	0	0	0	108.7	G317	G315-G317 PolarHBondContact O-N 2.93Å
316	E	24.9	Very low	36.1	Very low	213 Å²	213	78.9 Å²	78.9	100%	0.995	54%	0.544	S	S	*	.			trans	-64.3	112.7	176.8	-68.3	174.9	147.8	0	0	109.6
317	G	23	Very low	38.3	Very low	57 Å²	57	82.2 Å²	82.2	59%	0.588	55%	0.552	S	S	*	*			trans	142.6	120.1	171	0	0	0	0	0	114	G315	G315-G317 PolarHBondContact O-N 2.93Å
318	T	24.8	Very low	39.9	Very low	145 Å²	145	83.7 Å²	83.7	89%	0.89	56%	0.56	S	S	*	*			trans	69	107.7	160.7	59.1	0	0	0	0	119.7
319	G	24.6	Very low	41.9	Very low	48 Å²	48	84.2 Å²	84.2	50%	0.495	56%	0.559	S	S	.	*			trans	59.8	101.9	144	0	0	0	0	0	118.5
320	A	24.8	Very low	44.2	Very low	38 Å²	38	86.4 Å²	86.4	31%	0.314	56%	0.555	S	S	.	*	S	Bend		50.3	91.9	85.3	0	0	0	0	0	113.4	D126 N128 A322	D126-A320 HydrophobicContact CB-CB 4.35Å; D126-A320 CarbonylContact O-C 3.03Å; D126-A320 WeakPolarHBondContact O-CA 3.35Å; D126-A320 WeakPolarHBondContact O-CB 3.21Å; N128-A320 PolarHBondContact OD1-N 3.41Å; A320-A322 PolarHBondContact O-N 3.04Å
321	A	29.5	Very low	46.6	Very low	55 Å²	55	89 Å²	89	46%	0.455	57%	0.568	S	S	.	*	S	Bend	trans	47.9	51.7	175	0	0	0	0	0	113.1	D126 T323	D126-A321 HydrophobicContact CB-CB 4.32Å; D126-A321 PolarHBondContact O-N 3.33Å; A321-T323 VanDerWaalsContact C-N 3.33Å; A321-T323 PolarHBondContact O-N 3.34Å
322	A	38.6	Very low	49	Very low	65 Å²	65	87.1 Å²	87.1	54%	0.537	56%	0.557	S	S	.	*			trans	-68.2	94.9	-175.5	0	0	0	0	0	109.7	A320 L324	A320-A322 PolarHBondContact O-N 3.04Å; A322-L324 PolarHBondContact O-N 3.35Å; A322-L324 VanDerWaalsContact O-N 3.08Å
323	T	42.4	Very low	51.7	Low	120 Å²	120	86.3 Å²	86.3	74%	0.736	55%	0.546	S	S	*	.				-12.5	109.5	123.4	43.7	0	0	0	0	108.4	A321 T325	A321-T323 VanDerWaalsContact C-N 3.33Å; A321-T323 PolarHBondContact O-N 3.34Å; T323-T325 PolarHBondContact O-N 3.13Å
324	L	52.5	Low	54.5	Low	50 Å²	50	85.7 Å²	85.7	26%	0.262	53%	0.534	S	S	.	.			trans	-38.9	120.3	166.8	-109.2	80.5	0	0	0	105.6	A322 E326 E328 E329 L332 F581	A322-L324 PolarHBondContact O-N 3.35Å; A322-L324 VanDerWaalsContact O-N 3.08Å; L324-E326 PolarHBondContact O-N 2.6Å; L324-E328 HydrophobicContact CG-CB 4.4Å; L324-E329 HydrophobicContact CB-CB 4.24Å; L324-E329 HydrophobicContact CD2-CB 3.86Å; L324-E329 HydrophobicContact CD2-CG 4.43Å; L324-L332 HydrophobicContact CD2-CD1 3.46Å; L324-L332 VanDerWaalsContact CD2-CD1 3.46Å; L324-L332 HydrophobicContact CD2-CG 4.39Å; L324-F581 HydrophobicContact CD1-CD2 4.25Å; L324-F581 HydrophobicContact CD2-CD2 3.42Å; L324-F581 VanDerWaalsContact CD2-CD2 3.42Å; L324-F581 HydrophobicContact CD2-CE2 3.68Å; L324-F581 HydrophobicContact CD2-CG 4.18Å; L324-F581 HydrophobicContact CG-CD2 4.44Å
325	T	65.3	Low	57.3	Low	71 Å²	71	81.8 Å²	81.8	44%	0.436	50%	0.497	S	S	.	.			trans	-56.6	145.5	174.9	60.4	0	0	0	0	106.8	T323 N327 E328 E329	T323-T325 PolarHBondContact O-N 3.13Å; T325-N327 PolarHBondContact O-N 3.39Å; T325-E328 PolarHBondContact O-N 3.04Å; T325-E328 WeakPolarHBondContact OG1-CB 3.23Å; T325-E328 VanDerWaalsContact OG1-CG 3.28Å; T325-E328 WeakPolarHBondContact OG1-CG 3.45Å; T325-E328 PolarHBondContact OG1-N 3.39Å; T325-E329 PolarHBondContact O-N 3.4Å
326	E	75.5	Confident	60.2	Low	155 Å²	155	78.8 Å²	78.8	72%	0.724	47%	0.465	S	S	*	.	H	α-helix	trans	-51.7	-35.8	-179.5	-66.5	177.4	167.7	0	0	110.4	L324 E329 E330	L324-E326 PolarHBondContact O-N 2.6Å; E326-E329 PolarHBondContact O-N 3.46Å; E326-E330 WeakPolarHBondContact O-CB 3.31Å; E326-E330 VanDerWaalsContact O-CG 3.29Å; E326-E330 WeakPolarHBondContact O-CG 3.3Å; E326-E330 PolarHBondContact O-N 3Å
327	N	80.4	Confident	63	Low	110 Å²	110	74.4 Å²	74.4	59%	0.588	45%	0.449	S	S	*	.	H	α-helix	trans	-62.1	-48.6	172.5	-60.5	-5	0	0	0	113.9	T325 E329 E330 E331	T325-N327 PolarHBondContact O-N 3.39Å; N327-E329 VanDerWaalsContact C-N 3.29Å; N327-E329 PolarHBondContact O-N 3.45Å; N327-E330 PolarHBondContact O-N 2.96Å; N327-E331 WeakPolarHBondContact O-CG 3.43Å; N327-E331 PolarHBondContact O-N 3.21Å
328	E	77.2	Confident	66	Low	58 Å²	58	73 Å²	73	27%	0.271	43%	0.43	S	S	.	.	H	α-helix	trans	-64.1	-37.3	177.2	-78.4	-177.2	158	0	0	111.2	L324 T325 E331 L332 R577	L324-E328 HydrophobicContact CG-CB 4.4Å; T325-E328 PolarHBondContact O-N 3.04Å; T325-E328 WeakPolarHBondContact OG1-CB 3.23Å; T325-E328 VanDerWaalsContact OG1-CG 3.28Å; T325-E328 WeakPolarHBondContact OG1-CG 3.45Å; T325-E328 PolarHBondContact OG1-N 3.39Å; E328-E331 PolarHBondContact O-N 3.06Å; E328-L332 VanDerWaalsContact O-CG 3.29Å; E328-L332 WeakPolarHBondContact O-CG 3.42Å; E328-L332 PolarHBondContact O-N 2.89Å; E328-R577 IonicContact OE1-CZ 3.53Å; E328-R577 IonicContact OE1-NH1 3.55Å; E328-R577 PolarHBondContact OE1-NH1 2.93Å
329	E	81.1	Confident	68.5	Low	42 Å²	42	72 Å²	72	20%	0.196	43%	0.426	C	S	.	.	H	α-helix	trans	-62.6	-46.5	174.2	-179	172.8	165.3	0	0	111.7	L324 T325 E326 N327 E331 L332 I333 F581 R585	L324-E329 HydrophobicContact CB-CB 4.24Å; L324-E329 HydrophobicContact CD2-CB 3.86Å; L324-E329 HydrophobicContact CD2-CG 4.43Å; T325-E329 PolarHBondContact O-N 3.4Å; E326-E329 PolarHBondContact O-N 3.46Å; N327-E329 VanDerWaalsContact C-N 3.29Å; N327-E329 PolarHBondContact O-N 3.45Å; E329-E331 VanDerWaalsContact C-N 3.32Å; E329-E331 PolarHBondContact O-N 2.79Å; E329-L332 PolarHBondContact O-N 2.97Å; E329-I333 HydrophobicContact CG-CD1 3.77Å; E329-I333 HydrophobicContact CG-CG1 4.42Å; E329-I333 VanDerWaalsContact O-CG1 3.28Å; E329-I333 WeakPolarHBondContact O-CG1 3.49Å; E329-I333 PolarHBondContact O-N 3.17Å; E329-F581 HydrophobicContact CG-CE2 3.79Å; E329-F581 HydrophobicContact CG-CZ 3.75Å; E329-R585 IonicContact OE1-CZ 3.58Å; E329-R585 IonicContact OE1-NH1 3.91Å; E329-R585 PolarHBondContact OE1-NH1 3.42Å; E329-R585 IonicContact OE1-NH2 3.53Å; E329-R585 PolarHBondContact OE1-NH2 3.27Å; E329-R585 IonicContact OE2-CZ 3.52Å; E329-R585 IonicContact OE2-NH1 3.71Å; E329-R585 IonicContact OE2-NH2 2.76Å; E329-R585 PolarHBondContact OE2-NH2 3.04Å
330	E	86.1	Confident	71.4	Confident	127 Å²	127	75 Å²	75	59%	0.593	43%	0.431	S	S	*	.	H	α-helix	trans	-59.2	-42.1	175.5	-76.5	177.9	-176.7	0	0	111.8	E326 N327 L332 I333 A334	E326-E330 WeakPolarHBondContact O-CB 3.31Å; E326-E330 VanDerWaalsContact O-CG 3.29Å; E326-E330 WeakPolarHBondContact O-CG 3.3Å; E326-E330 PolarHBondContact O-N 3Å; N327-E330 PolarHBondContact O-N 2.96Å; E330-L332 PolarHBondContact O-N 3.23Å; E330-I333 PolarHBondContact O-N 3.46Å; E330-A334 VanDerWaalsContact O-CB 3.25Å; E330-A334 WeakPolarHBondContact O-CB 3.46Å; E330-A334 PolarHBondContact O-N 3.4Å
331	E	84.9	Confident	74.3	Confident	134 Å²	134	73.2 Å²	73.2	63%	0.626	42%	0.416	S	S	*	.	H	α-helix	trans	-61.3	-43	175.3	-74.8	179.1	-173.4	0	0	112.2	N327 E328 E329 A334 L335	N327-E331 WeakPolarHBondContact O-CG 3.43Å; N327-E331 PolarHBondContact O-N 3.21Å; E328-E331 PolarHBondContact O-N 3.06Å; E329-E331 VanDerWaalsContact C-N 3.32Å; E329-E331 PolarHBondContact O-N 2.79Å; E331-A334 PolarHBondContact O-N 2.93Å; E331-L335 WeakPolarHBondContact O-CB 3.5Å; E331-L335 PolarHBondContact O-N 3.31Å
332	L	84.4	Confident	77.1	Confident	9 Å²	9	72.5 Å²	72.5	5%	0.047	40%	0.402	C	S	.	.	H	α-helix	trans	-69	-37.3	178.2	-68	-173.6	0	0	0	112.4	L324 E328 E329 E330 L335 A336 T574 F578 F581	L324-L332 HydrophobicContact CD2-CD1 3.46Å; L324-L332 VanDerWaalsContact CD2-CD1 3.46Å; L324-L332 HydrophobicContact CD2-CG 4.39Å; E328-L332 VanDerWaalsContact O-CG 3.29Å; E328-L332 WeakPolarHBondContact O-CG 3.42Å; E328-L332 PolarHBondContact O-N 2.89Å; E329-L332 PolarHBondContact O-N 2.97Å; E330-L332 PolarHBondContact O-N 3.23Å; L332-L335 PolarHBondContact O-N 2.89Å; L332-A336 PolarHBondContact O-N 3.42Å; L332-T574 HydrophobicContact CD2-CG2 4.07Å; L332-F578 HydrophobicContact CB-CD2 4.14Å; L332-F578 HydrophobicContact CD2-CB 3.93Å; L332-F578 HydrophobicContact CD2-CD2 3.98Å; L332-F578 HydrophobicContact CD2-CG 4.4Å; L332-F578 HydrophobicContact CG-CD2 4.45Å; L332-F581 HydrophobicContact CD1-CB 3.87Å; L332-F581 HydrophobicContact CD1-CD1 4.27Å; L332-F581 HydrophobicContact CD1-CD2 4.4Å; L332-F581 HydrophobicContact CD1-CG 3.95Å
333	I	86.6	Confident	79.5	Confident	61 Å²	61	73.6 Å²	73.6	31%	0.313	40%	0.396	S	S	.	.	H	α-helix	trans	-68.3	-42.4	175	-67.8	169.1	0	0	0	110	E329 E330 L335 A336 N337 F581 L644	E329-I333 HydrophobicContact CG-CD1 3.77Å; E329-I333 HydrophobicContact CG-CG1 4.42Å; E329-I333 VanDerWaalsContact O-CG1 3.28Å; E329-I333 WeakPolarHBondContact O-CG1 3.49Å; E329-I333 PolarHBondContact O-N 3.17Å; E330-I333 PolarHBondContact O-N 3.46Å; I333-L335 VanDerWaalsContact C-N 3.28Å; I333-L335 PolarHBondContact O-N 3.28Å; I333-A336 PolarHBondContact O-N 3.25Å; I333-N337 PolarHBondContact O-N 2.71Å; I333-N337 PolarHBondContact O-ND2 2.71Å; I333-F581 HydrophobicContact CG1-CE1 4.32Å; I333-F581 HydrophobicContact CG1-CZ 4.31Å; I333-L644 HydrophobicContact CG1-CD1 4.39Å
334	A	86.9	Confident	81.6	Confident	63 Å²	63	71 Å²	71	52%	0.521	37%	0.373	S	S	.	.	H	α-helix	trans	-60.4	-40.7	174.9	0	0	0	0	0	111.3	E330 E331 N337 S338	E330-A334 VanDerWaalsContact O-CB 3.25Å; E330-A334 WeakPolarHBondContact O-CB 3.46Å; E330-A334 PolarHBondContact O-N 3.4Å; E331-A334 PolarHBondContact O-N 2.93Å; A334-N337 PolarHBondContact O-N 3.4Å; A334-S338 PolarHBondContact O-N 3.42Å
335	L	84.7	Confident	83.3	Confident	29 Å²	29	68.8 Å²	68.8	15%	0.152	36%	0.361	C	S	.	.	H	α-helix	trans	-63.2	-43.8	174.6	-171.8	68.4	0	0	0	111.6	E331 L332 I333 N337 S338 I341 I570	E331-L335 WeakPolarHBondContact O-CB 3.5Å; E331-L335 PolarHBondContact O-N 3.31Å; L332-L335 PolarHBondContact O-N 2.89Å; I333-L335 VanDerWaalsContact C-N 3.28Å; I333-L335 PolarHBondContact O-N 3.28Å; L335-N337 VanDerWaalsContact C-N 3.3Å; L335-N337 PolarHBondContact O-N 3.39Å; L335-S338 WeakPolarHBondContact O-CB 3.26Å; L335-S338 PolarHBondContact O-N 2.97Å; L335-S338 PolarHBondContact O-OG 3.2Å; L335-I341 HydrophobicContact CD1-CD1 4.19Å; L335-I341 HydrophobicContact CD2-CD1 4.45Å; L335-I341 HydrophobicContact CG-CD1 3.8Å; L335-I341 WeakPolarHBondContact O-CD1 3.37Å; L335-I570 HydrophobicContact CD1-CD1 4.19Å; L335-I570 HydrophobicContact CD1-CG1 4.4Å; L335-I570 HydrophobicContact CD2-CD1 4.09Å; L335-I570 HydrophobicContact CD2-CG2 4.5Å
336	A	85.3	Confident	84.4	Confident	4 Å²	4	65.7 Å²	65.7	3%	0.033	34%	0.342	C	S	.	.	H	α-helix	trans	-64.3	-33.6	177.8	0	0	0	0	0	113.4	L332 I333 S338 F578 L644	L332-A336 PolarHBondContact O-N 3.42Å; I333-A336 PolarHBondContact O-N 3.25Å; A336-S338 PolarHBondContact O-N 2.96Å; A336-F578 HydrophobicContact CB-CE2 4.03Å; A336-F578 HydrophobicContact CB-CZ 4.06Å; A336-L644 HydrophobicContact CB-CB 4.37Å; A336-L644 HydrophobicContact CB-CD1 3.47Å; A336-L644 VanDerWaalsContact CB-CD1 3.47Å; A336-L644 HydrophobicContact CB-CG 3.74Å
337	N	85.3	Confident	85	Confident	121 Å²	121	65.2 Å²	65.2	65%	0.647	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.2	-8.4	178.2	-72.9	-28.2	0	0	0	113.5	I333 A334 L335	I333-N337 PolarHBondContact O-N 2.71Å; I333-N337 PolarHBondContact O-ND2 2.71Å; A334-N337 PolarHBondContact O-N 3.4Å; L335-N337 VanDerWaalsContact C-N 3.3Å; L335-N337 PolarHBondContact O-N 3.39Å
338	S	85.3	Confident	85.2	Confident	29 Å²	29	60.4 Å²	60.4	20%	0.203	31%	0.309	C	S	.	.	S	Bend	trans	-66	132.6	176.2	69.1	0	0	0	0	110.7	A334 L335 A336 D340 I341	A334-S338 PolarHBondContact O-N 3.42Å; L335-S338 WeakPolarHBondContact O-CB 3.26Å; L335-S338 PolarHBondContact O-N 2.97Å; L335-S338 PolarHBondContact O-OG 3.2Å; A336-S338 PolarHBondContact O-N 2.96Å; S338-D340 PolarHBondContact O-N 3.42Å; S338-I341 PolarHBondContact O-N 3.38Å
339	P	78.5	Confident	85.6	Confident	124 Å²	124	57.8 Å²	57.8	81%	0.805	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.6	-25.5	-173.1	24.6	-33.7	0	0	0	113
340	D	83.8	Confident	85.7	Confident	109 Å²	109	55.8 Å²	55.8	58%	0.583	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.5	16	-175.9	-58.8	-34.2	0	0	0	113.3	S338 Y342 E343 R344	S338-D340 PolarHBondContact O-N 3.42Å; D340-Y342 PolarHBondContact O-N 2.85Å; D340-Y342 VanDerWaalsContact O-N 3.11Å; D340-E343 PolarHBondContact O-N 3.24Å; D340-E343 VanDerWaalsContact O-N 3.13Å; D340-R344 VanDerWaalsContact O-CB 3.3Å; D340-R344 WeakPolarHBondContact O-CB 3.17Å; D340-R344 PolarHBondContact O-N 3.39Å
341	I	86.7	Confident	85.4	Confident	2 Å²	2	52.4 Å²	52.4	1%	0.01	28%	0.276	C	S	.	.	H	α-helix	trans	-53.5	-39	-174.7	-172.5	54.9	0	0	0	112.6	L335 S338 R344 L345 I570 R643	L335-I341 HydrophobicContact CD1-CD1 4.19Å; L335-I341 HydrophobicContact CD2-CD1 4.45Å; L335-I341 HydrophobicContact CG-CD1 3.8Å; L335-I341 WeakPolarHBondContact O-CD1 3.37Å; S338-I341 PolarHBondContact O-N 3.38Å; I341-R344 PolarHBondContact O-N 3.42Å; I341-L345 HydrophobicContact CD1-CD1 4.11Å; I341-L345 HydrophobicContact CD1-CD2 4.47Å; I341-L345 HydrophobicContact CD1-CG 3.95Å; I341-L345 HydrophobicContact CG1-CD1 3.85Å; I341-L345 HydrophobicContact CG1-CG 4.2Å; I341-L345 VanDerWaalsContact O-CB 3.3Å; I341-L345 WeakPolarHBondContact O-CB 3.12Å; I341-L345 WeakPolarHBondContact O-CG 3.24Å; I341-L345 PolarHBondContact O-N 3.39Å; I341-I570 HydrophobicContact CD1-CD1 4.3Å; I341-R643 HydrophobicContact CG2-CG 4.17Å
342	Y	88.2	Confident	85.3	Confident	40 Å²	40	49 Å²	49	16%	0.157	27%	0.268	C	S	.	.	H	α-helix	trans	-64.8	-46.4	-179.2	176.2	-120.9	0	0	0	112.5	D340 A346 K361 L639 M642 E655	D340-Y342 PolarHBondContact O-N 2.85Å; D340-Y342 VanDerWaalsContact O-N 3.11Å; Y342-A346 WeakPolarHBondContact O-CB 3.41Å; Y342-A346 PolarHBondContact O-N 3.47Å; Y342-K361 HydrophobicContact CE1-CD 3.85Å; Y342-K361 VanDerWaalsContact CE1-CE 3.49Å; Y342-K361 HydrophobicContact CE1-CG 4.09Å; Y342-K361 HydrophobicContact CE2-CB 4.23Å; Y342-K361 HydrophobicContact CE2-CG 4.07Å; Y342-K361 WeakPolarHBondContact OH-CB 3.36Å; Y342-K361 WeakPolarHBondContact OH-CD 3.42Å; Y342-K361 WeakPolarHBondContact OH-CG 3.48Å; Y342-L639 HydrophobicContact CD2-CD2 3.86Å; Y342-L639 HydrophobicContact CE2-CD2 3.44Å; Y342-L639 VanDerWaalsContact CE2-CD2 3.44Å; Y342-M642 HydrophobicContact CD2-SD 3.85Å; Y342-M642 HydrophobicContact CE2-SD 4.36Å; Y342-E655 HydrophobicContact CE1-CG 3.99Å; Y342-E655 VanDerWaalsContact CE1-OE1 3.31Å; Y342-E655 WeakPolarHBondContact CE1-OE1 3.45Å; Y342-E655 PolarHBondContact OH-OE1 3.03Å
343	E	88.4	Confident	85.3	Confident	88 Å²	88	49.8 Å²	49.8	41%	0.411	27%	0.272	S	S	.	.	H	α-helix	trans	-70.4	-39.1	177.2	-65.7	-157.4	169.6	0	0	111.8	D340 L345 A346 R347	D340-E343 PolarHBondContact O-N 3.24Å; D340-E343 VanDerWaalsContact O-N 3.13Å; E343-L345 PolarHBondContact O-N 3.46Å; E343-A346 PolarHBondContact O-N 3.44Å; E343-R347 WeakPolarHBondContact O-CG 3.24Å; E343-R347 PolarHBondContact O-N 3.37Å; E343-R347 IonicContact OE2-CZ 3.7Å; E343-R347 IonicContact OE2-NH2 3.72Å; E343-R347 PolarHBondContact OE2-NH2 3.03Å
344	R	87.7	Confident	85.1	Confident	65 Å²	65	52.3 Å²	52.3	25%	0.245	28%	0.278	C	S	.	.	H	α-helix	trans	-61.3	-44.1	177.6	-168.3	173.8	177.5	153.7	5.3	111.6	D340 I341 R347 S348 S567 D568 I570	D340-R344 VanDerWaalsContact O-CB 3.3Å; D340-R344 WeakPolarHBondContact O-CB 3.17Å; D340-R344 PolarHBondContact O-N 3.39Å; I341-R344 PolarHBondContact O-N 3.42Å; R344-R347 PolarHBondContact O-N 3.06Å; R344-S348 WeakPolarHBondContact O-CB 3.15Å; R344-S348 PolarHBondContact O-N 2.57Å; R344-S348 PolarHBondContact O-OG 2.66Å; R344-S567 PolarHBondContact NH2-O 3.38Å; R344-D568 WeakPolarHBondContact CD-O 3.43Å; R344-D568 HydrophobicContact CG-CB 4.3Å; R344-D568 WeakPolarHBondContact CG-O 3.25Å; R344-D568 IonicContact CZ-OD1 3.32Å; R344-D568 PolarHBondContact NE-O 3.05Å; R344-D568 IonicContact NH1-OD1 2.65Å; R344-D568 PolarHBondContact NH2-O 3.25Å; R344-D568 IonicContact NH2-OD1 2.93Å; R344-I570 HydrophobicContact CG-CD1 4.04Å; R344-I570 HydrophobicContact CG-CG1 4.24Å
345	L	88.1	Confident	84.8	Confident	3 Å²	3	50.8 Å²	50.8	2%	0.016	27%	0.269	C	S	.	.	H	α-helix	trans	-62.5	-44.7	173.1	-73.5	169.7	0	0	0	111.4	I341 E343 R347 S348 I349 F368 I570 L575 F578 M642	I341-L345 HydrophobicContact CD1-CD1 4.11Å; I341-L345 HydrophobicContact CD1-CD2 4.47Å; I341-L345 HydrophobicContact CD1-CG 3.95Å; I341-L345 HydrophobicContact CG1-CD1 3.85Å; I341-L345 HydrophobicContact CG1-CG 4.2Å; I341-L345 VanDerWaalsContact O-CB 3.3Å; I341-L345 WeakPolarHBondContact O-CB 3.12Å; I341-L345 WeakPolarHBondContact O-CG 3.24Å; I341-L345 PolarHBondContact O-N 3.39Å; E343-L345 PolarHBondContact O-N 3.46Å; L345-R347 VanDerWaalsContact C-N 3.34Å; L345-R347 PolarHBondContact O-N 3.01Å; L345-S348 PolarHBondContact O-N 3.08Å; L345-I349 VanDerWaalsContact O-CG1 3.31Å; L345-I349 WeakPolarHBondContact O-CG1 3.37Å; L345-I349 PolarHBondContact O-N 2.77Å; L345-I349 VanDerWaalsContact O-N 3.1Å; L345-F368 HydrophobicContact CD1-CE2 3.97Å; L345-F368 HydrophobicContact CD1-CZ 4.05Å; L345-I570 HydrophobicContact CD2-CD1 3.86Å; L345-I570 HydrophobicContact CG-CD1 4.41Å; L345-L575 HydrophobicContact CD2-CD1 4.31Å; L345-F578 HydrophobicContact CD1-CE1 4.3Å; L345-F578 HydrophobicContact CD2-CD1 4.46Å; L345-M642 HydrophobicContact CD1-CB 4.42Å; L345-M642 HydrophobicContact CD1-CG 4.27Å; L345-M642 HydrophobicContact CD1-SD 4.31Å
346	A	88.6	Confident	84.6	Confident	6 Å²	6	52.3 Å²	52.3	5%	0.05	28%	0.282	C	S	.	.	H	α-helix	trans	-63	-37.9	179	0	0	0	0	0	112.7	Y342 E343 K360 K361	Y342-A346 WeakPolarHBondContact O-CB 3.41Å; Y342-A346 PolarHBondContact O-N 3.47Å; E343-A346 PolarHBondContact O-N 3.44Å; A346-K360 WeakPolarHBondContact O-CB 3.3Å; A346-K360 WeakPolarHBondContact O-CD 3.33Å; A346-K361 HydrophobicContact CB-CG 3.75Å
347	R	86.4	Confident	84.6	Confident	146 Å²	146	56.2 Å²	56.2	55%	0.551	31%	0.305	S	S	*	.	H	α-helix	trans	-71.5	-38.4	175.4	-67.4	177.6	-156.9	169.9	7.9	112.1	E343 R344 L345 I349	E343-R347 WeakPolarHBondContact O-CG 3.24Å; E343-R347 PolarHBondContact O-N 3.37Å; E343-R347 IonicContact OE2-CZ 3.7Å; E343-R347 IonicContact OE2-NH2 3.72Å; E343-R347 PolarHBondContact OE2-NH2 3.03Å; R344-R347 PolarHBondContact O-N 3.06Å; L345-R347 VanDerWaalsContact C-N 3.34Å; L345-R347 PolarHBondContact O-N 3.01Å; R347-I349 PolarHBondContact O-N 3.16Å
348	S	85.3	Confident	84.9	Confident	8 Å²	8	52.3 Å²	52.3	6%	0.056	29%	0.285	C	S	.	.	H	α-helix	trans	-67.3	-21.7	178.6	-57.3	0	0	0	0	113	R344 L345 A350 I570	R344-S348 WeakPolarHBondContact O-CB 3.15Å; R344-S348 PolarHBondContact O-N 2.57Å; R344-S348 PolarHBondContact O-OG 2.66Å; L345-S348 PolarHBondContact O-N 3.08Å; S348-A350 PolarHBondContact O-N 3.31Å; S348-I570 PolarHBondContact OG-N 3.43Å
349	I	85.1	Confident	85.2	Confident	3 Å²	3	51.6 Å²	51.6	2%	0.015	28%	0.278	C	S	.	.	S	Bend	trans	-78.9	115.8	175.1	-66.2	162.7	0	0	0	110	L345 R347 K360 I363 A364 L367 F403	L345-I349 VanDerWaalsContact O-CG1 3.31Å; L345-I349 WeakPolarHBondContact O-CG1 3.37Å; L345-I349 PolarHBondContact O-N 2.77Å; L345-I349 VanDerWaalsContact O-N 3.1Å; R347-I349 PolarHBondContact O-N 3.16Å; I349-K360 VanDerWaalsContact O-CD 3.32Å; I349-K360 WeakPolarHBondContact O-CD 3.47Å; I349-K360 WeakPolarHBondContact O-CE 3.43Å; I349-K360 PolarHBondContact O-NZ 2.83Å; I349-K360 VanDerWaalsContact O-NZ 3.15Å; I349-I363 HydrophobicContact CD1-CG2 4.43Å; I349-I363 HydrophobicContact CG2-CG2 3.97Å; I349-A364 HydrophobicContact CD1-CB 3.5Å; I349-L367 HydrophobicContact CD1-CD1 4.39Å; I349-F403 HydrophobicContact CB-CE1 4.27Å; I349-F403 HydrophobicContact CG2-CD1 4.08Å; I349-F403 HydrophobicContact CG2-CE1 3.98Å
350	A	82.6	Confident	85.8	Confident	1 Å²	1	46.5 Å²	46.5	1%	0.008	24%	0.243	C	C	.	.			trans	52.7	70.4	-180	0	0	0	0	0	113	S348 S352 I353 K360 L400 F403	S348-A350 PolarHBondContact O-N 3.31Å; A350-S352 PolarHBondContact O-N 3Å; A350-I353 HydrophobicContact CB-CB 4.38Å; A350-I353 HydrophobicContact CB-CD1 4.08Å; A350-I353 HydrophobicContact CB-CG1 4.33Å; A350-I353 PolarHBondContact O-N 3.47Å; A350-I353 VanDerWaalsContact O-N 3.1Å; A350-K360 PolarHBondContact O-NZ 3.04Å; A350-L400 HydrophobicContact CB-CD2 3.85Å; A350-F403 HydrophobicContact CB-CB 4.37Å; A350-F403 HydrophobicContact CB-CD1 3.99Å; A350-F403 HydrophobicContact CB-CD2 4.27Å; A350-F403 HydrophobicContact CB-CE1 4.38Å; A350-F403 HydrophobicContact CB-CG 3.94Å
351	P	81.2	Confident	86.2	Confident	55 Å²	55	42.7 Å²	42.7	36%	0.357	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-26.4	178.2	25.6	-34.2	0	0	0	112.1	I353 H545	P351-I353 PolarHBondContact O-N 3.44Å; P351-H545 PolarHBondContact O-CE1 3.37Å; P351-H545 PolarHBondContact O-NE2 3.08Å
352	S	82	Confident	86.5	Confident	64 Å²	64	42.6 Å²	42.6	45%	0.448	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-14.7	177.1	62.9	0	0	0	0	114.4	A350 H545	A350-S352 PolarHBondContact O-N 3Å; S352-H545 PolarHBondContact O-CE1 3.03Å
353	I	84.1	Confident	86.8	Confident	24 Å²	24	40.7 Å²	40.7	12%	0.123	21%	0.214	C	C	.	.	S	Bend	trans	-108.4	118.8	-177.4	-59.7	175	0	0	0	108.7	A350 P351 K360 A396 Q399 L400	A350-I353 HydrophobicContact CB-CB 4.38Å; A350-I353 HydrophobicContact CB-CD1 4.08Å; A350-I353 HydrophobicContact CB-CG1 4.33Å; A350-I353 PolarHBondContact O-N 3.47Å; A350-I353 VanDerWaalsContact O-N 3.1Å; P351-I353 PolarHBondContact O-N 3.44Å; I353-K360 WeakPolarHBondContact O-CE 3.41Å; I353-K360 PolarHBondContact O-NZ 2.84Å; I353-A396 HydrophobicContact CD1-CB 3.84Å; I353-A396 HydrophobicContact CG1-CB 4.15Å; I353-A396 HydrophobicContact CG2-CB 4.33Å; I353-Q399 HydrophobicContact CD1-CB 4.02Å; I353-L400 HydrophobicContact CD1-CD2 3.62Å; I353-L400 HydrophobicContact CD1-CG 3.59Å
354	Y	82.2	Confident	87	Confident	114 Å²	114	36.5 Å²	36.5	45%	0.447	19%	0.194	S	C	.	.			trans	-81.3	141.3	176.2	-177.9	-98.4	0	0	0	111.3	L542 H545	Y354-L542 HydrophobicContact CD1-CD2 3.64Å; Y354-L542 HydrophobicContact CD1-CG 4.17Å; Y354-L542 HydrophobicContact CG-CD2 4.25Å; Y354-H545 HydrophobicContact CD2-CB 4.38Å; Y354-H545 AromaticContact CD2-CD2 3.89Å; Y354-H545 HydrophobicContact CG-CB 4.39Å
355	G	80.7	Confident	87.2	Confident	32 Å²	32	33.4 Å²	33.4	33%	0.33	18%	0.183	S	C	.	.	S	Bend	trans	82.6	-161.8	175.8	0	0	0	0	0	115	T357 K360	G355-T357 PolarHBondContact O-N 2.88Å; G355-K360 WeakPolarHBondContact O-CE 3.4Å
356	S	80.5	Confident	87.5	Confident	60 Å²	60	33.3 Å²	33.3	42%	0.42	18%	0.182	S	C	.	.			trans	49.8	47.8	178.3	-57.6	0	0	0	0	114.7	D358 I359 K360	S356-D358 VanDerWaalsContact C-N 3.25Å; S356-D358 PolarHBondContact O-N 2.76Å; S356-I359 PolarHBondContact O-N 3.01Å; S356-I359 VanDerWaalsContact O-N 3.13Å; S356-K360 PolarHBondContact O-N 3.46Å; S356-K360 VanDerWaalsContact O-N 3.08Å
357	T	87.1	Confident	87.6	Confident	86 Å²	86	33.1 Å²	33.1	53%	0.528	18%	0.18	S	C	.	.	H	α-helix	trans	-58.4	-36.2	-178.7	52.2	0	0	0	0	112.5	G355 K360 K361	G355-T357 PolarHBondContact O-N 2.88Å; T357-K360 PolarHBondContact O-N 3.39Å; T357-K361 WeakPolarHBondContact O-CB 3.5Å; T357-K361 VanDerWaalsContact O-CG 3.24Å; T357-K361 WeakPolarHBondContact O-CG 3.36Å; T357-K361 PolarHBondContact O-N 3.25Å
358	D	90.6	Very high	87.8	Confident	40 Å²	40	26.3 Å²	26.3	21%	0.214	16%	0.155	C	C	.	.	H	α-helix	trans	-66.1	-38.1	177.3	-69	-42.5	0	0	0	112.9	S356 K361 A362 R658 L659	S356-D358 VanDerWaalsContact C-N 3.25Å; S356-D358 PolarHBondContact O-N 2.76Å; D358-K361 PolarHBondContact O-N 3.04Å; D358-A362 WeakPolarHBondContact O-CB 3.26Å; D358-A362 PolarHBondContact O-N 2.91Å; D358-R658 IonicContact OD1-CZ 3.35Å; D358-R658 VanDerWaalsContact OD1-CZ 3.28Å; D358-R658 IonicContact OD1-NH1 2.76Å; D358-R658 PolarHBondContact OD1-NH1 2.76Å; D358-R658 IonicContact OD1-NH2 3.25Å; D358-R658 PolarHBondContact OD1-NH2 3.17Å; D358-R658 IonicContact OD2-NH1 3.64Å; D358-L659 HydrophobicContact CB-CD2 4.37Å
359	I	91.5	Very high	88	Confident	13 Å²	13	26.1 Å²	26.1	7%	0.067	15%	0.153	C	C	.	.	H	α-helix	trans	-66.5	-42.8	175	-60.2	-177.9	0	0	0	109.6	S356 A362 I363 M387 M389 L400 F528 I530	S356-I359 PolarHBondContact O-N 3.01Å; S356-I359 VanDerWaalsContact O-N 3.13Å; I359-A362 PolarHBondContact O-N 2.63Å; I359-I363 HydrophobicContact CG2-CD1 4.03Å; I359-I363 VanDerWaalsContact O-CG1 3.29Å; I359-I363 WeakPolarHBondContact O-CG1 3.33Å; I359-I363 PolarHBondContact O-N 3.23Å; I359-M387 HydrophobicContact CB-CE 4.46Å; I359-M387 HydrophobicContact CG2-CE 3.62Å; I359-M389 HydrophobicContact CG2-SD 4.02Å; I359-L400 HydrophobicContact CG2-CD1 4.17Å; I359-F528 HydrophobicContact CD1-CB 4.38Å; I359-F528 HydrophobicContact CG1-CB 4.33Å; I359-F528 HydrophobicContact CG1-CD1 3.97Å; I359-F528 HydrophobicContact CG1-CE1 4.45Å; I359-F528 HydrophobicContact CG1-CG 4.06Å; I359-I530 HydrophobicContact CD1-CD1 3.59Å; I359-I530 HydrophobicContact CD1-CG1 3.66Å
360	K	91.6	Very high	88.1	Confident	17 Å²	17	26.2 Å²	26.2	7%	0.074	16%	0.156	C	C	.	.	H	α-helix	trans	-64.4	-41.2	177	-65.5	-177.5	178.6	-157.5	0	112.2	A346 I349 A350 I353 G355 S356 T357 I363 A364	A346-K360 WeakPolarHBondContact O-CB 3.3Å; A346-K360 WeakPolarHBondContact O-CD 3.33Å; I349-K360 VanDerWaalsContact O-CD 3.32Å; I349-K360 WeakPolarHBondContact O-CD 3.47Å; I349-K360 WeakPolarHBondContact O-CE 3.43Å; I349-K360 PolarHBondContact O-NZ 2.83Å; I349-K360 VanDerWaalsContact O-NZ 3.15Å; A350-K360 PolarHBondContact O-NZ 3.04Å; I353-K360 WeakPolarHBondContact O-CE 3.41Å; I353-K360 PolarHBondContact O-NZ 2.84Å; G355-K360 WeakPolarHBondContact O-CE 3.4Å; S356-K360 PolarHBondContact O-N 3.46Å; S356-K360 VanDerWaalsContact O-N 3.08Å; T357-K360 PolarHBondContact O-N 3.39Å; K360-I363 PolarHBondContact O-N 2.79Å; K360-A364 PolarHBondContact O-N 3.49Å
361	K	92.4	Very high	88.3	Confident	29 Å²	29	26.9 Å²	26.9	13%	0.126	16%	0.16	C	C	.	.	H	α-helix	trans	-59.4	-46.3	172.8	-77.7	170.9	166.5	-164.3	0	111.6	Y342 A346 T357 D358 I363 A364 C365 E655 L659	Y342-K361 HydrophobicContact CE1-CD 3.85Å; Y342-K361 VanDerWaalsContact CE1-CE 3.49Å; Y342-K361 HydrophobicContact CE1-CG 4.09Å; Y342-K361 HydrophobicContact CE2-CB 4.23Å; Y342-K361 HydrophobicContact CE2-CG 4.07Å; Y342-K361 WeakPolarHBondContact OH-CB 3.36Å; Y342-K361 WeakPolarHBondContact OH-CD 3.42Å; Y342-K361 WeakPolarHBondContact OH-CG 3.48Å; A346-K361 HydrophobicContact CB-CG 3.75Å; T357-K361 WeakPolarHBondContact O-CB 3.5Å; T357-K361 VanDerWaalsContact O-CG 3.24Å; T357-K361 WeakPolarHBondContact O-CG 3.36Å; T357-K361 PolarHBondContact O-N 3.25Å; D358-K361 PolarHBondContact O-N 3.04Å; K361-I363 PolarHBondContact O-N 3.28Å; K361-A364 VanDerWaalsContact O-CB 3.3Å; K361-A364 WeakPolarHBondContact O-CB 3.47Å; K361-A364 PolarHBondContact O-N 3.18Å; K361-C365 PolarHBondContact O-N 3.47Å; K361-C365 PolarHBondContact O-SG 3.1Å; K361-C365 VanDerWaalsContact O-SG 3.37Å; K361-E655 IonicContact NZ-OE1 2.73Å; K361-E655 PolarHBondContact NZ-OE1 3.36Å; K361-L659 HydrophobicContact CB-CD2 4.16Å
362	A	93.2	Very high	88.5	Confident	0 Å²	0	28.4 Å²	28.4	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-63.4	-40.3	176.2	0	0	0	0	0	113	D358 I359 A364 C365 L366 M387 M526 F528	D358-A362 WeakPolarHBondContact O-CB 3.26Å; D358-A362 PolarHBondContact O-N 2.91Å; I359-A362 PolarHBondContact O-N 2.63Å; A362-A364 VanDerWaalsContact C-N 3.31Å; A362-A364 PolarHBondContact O-N 3.11Å; A362-C365 WeakPolarHBondContact O-CB 3.13Å; A362-C365 PolarHBondContact O-N 3.21Å; A362-L366 PolarHBondContact O-N 3.01Å; A362-M387 HydrophobicContact CB-CE 4.04Å; A362-M387 HydrophobicContact CB-SD 4.02Å; A362-M526 HydrophobicContact CB-CE 3.67Å; A362-M526 HydrophobicContact CB-SD 3.62Å; A362-F528 HydrophobicContact CB-CE2 3.41Å; A362-F528 VanDerWaalsContact CB-CE2 3.41Å; A362-F528 HydrophobicContact CB-CZ 3.52Å
363	I	93.6	Very high	88.6	Confident	0 Å²	0	28 Å²	28	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-62.4	-40.5	173.6	-72.4	169.3	0	0	0	110.7	I349 I359 K360 K361 C365 L366 L367 M387 L400 V404	I349-I363 HydrophobicContact CD1-CG2 4.43Å; I349-I363 HydrophobicContact CG2-CG2 3.97Å; I359-I363 HydrophobicContact CG2-CD1 4.03Å; I359-I363 VanDerWaalsContact O-CG1 3.29Å; I359-I363 WeakPolarHBondContact O-CG1 3.33Å; I359-I363 PolarHBondContact O-N 3.23Å; K360-I363 PolarHBondContact O-N 2.79Å; K361-I363 PolarHBondContact O-N 3.28Å; I363-C365 VanDerWaalsContact C-N 3.34Å; I363-C365 PolarHBondContact O-N 3.26Å; I363-L366 WeakPolarHBondContact O-CB 3.44Å; I363-L366 PolarHBondContact O-N 3.33Å; I363-L367 HydrophobicContact CG2-CD1 4.35Å; I363-L367 WeakPolarHBondContact O-CG 3.15Å; I363-L367 PolarHBondContact O-N 2.98Å; I363-M387 HydrophobicContact CG1-CE 3.99Å; I363-M387 HydrophobicContact CG1-SD 3.88Å; I363-L400 HydrophobicContact CD1-CB 4.43Å; I363-L400 HydrophobicContact CD1-CD1 4.5Å; I363-L400 HydrophobicContact CD1-CD2 4.14Å; I363-V404 HydrophobicContact CD1-CG2 4.26Å; I363-V404 HydrophobicContact CG1-CG2 4.46Å; I363-V404 HydrophobicContact CG2-CG2 3.34Å
364	A	92.6	Very high	88.7	Confident	1 Å²	1	34 Å²	34	1%	0.008	17%	0.17	C	C	.	.	H	α-helix	trans	-57	-50.4	173.4	0	0	0	0	0	110.1	I349 K360 K361 A362 L366 L367 F368 M642	I349-A364 HydrophobicContact CD1-CB 3.5Å; K360-A364 PolarHBondContact O-N 3.49Å; K361-A364 VanDerWaalsContact O-CB 3.3Å; K361-A364 WeakPolarHBondContact O-CB 3.47Å; K361-A364 PolarHBondContact O-N 3.18Å; A362-A364 VanDerWaalsContact C-N 3.31Å; A362-A364 PolarHBondContact O-N 3.11Å; A364-L366 VanDerWaalsContact C-N 3.28Å; A364-L366 PolarHBondContact O-N 3.44Å; A364-L367 WeakPolarHBondContact O-CB 3.43Å; A364-L367 PolarHBondContact O-N 3.43Å; A364-F368 VanDerWaalsContact O-CD2 3.25Å; A364-F368 WeakPolarHBondContact O-CD2 3.08Å; A364-F368 PolarHBondContact O-N 3.23Å; A364-M642 HydrophobicContact CB-CE 3.51Å; A364-M642 WeakPolarHBondContact O-CE 3.31Å
365	C	93.1	Very high	88.8	Confident	0 Å²	0	31.8 Å²	31.8	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-56.2	-41.9	177.3	-65.6	0	0	0	0	112.4	K361 A362 I363 L367 F368 G369 I385 S638 M642	K361-C365 PolarHBondContact O-N 3.47Å; K361-C365 PolarHBondContact O-SG 3.1Å; K361-C365 VanDerWaalsContact O-SG 3.37Å; A362-C365 WeakPolarHBondContact O-CB 3.13Å; A362-C365 PolarHBondContact O-N 3.21Å; I363-C365 VanDerWaalsContact C-N 3.34Å; I363-C365 PolarHBondContact O-N 3.26Å; C365-L367 VanDerWaalsContact C-N 3.35Å; C365-L367 PolarHBondContact O-N 2.99Å; C365-F368 PolarHBondContact O-N 2.7Å; C365-G369 PolarHBondContact O-N 2.91Å; C365-I385 HydrophobicContact CB-CD1 4.37Å; C365-S638 VanDerWaalsContact CB-OG 3.27Å; C365-S638 WeakPolarHBondContact CB-OG 2.98Å; C365-S638 WeakPolarHBondContact O-CB 3.34Å; C365-M642 HydrophobicContact CB-CE 4.32Å
366	L	93.7	Very high	89	Confident	0 Å²	0	36.7 Å²	36.7	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-62	-40.5	176.1	-175.9	150.8	0	0	0	112.3	A362 I363 A364 F368 M387 V451 L495 R583	A362-L366 PolarHBondContact O-N 3.01Å; I363-L366 WeakPolarHBondContact O-CB 3.44Å; I363-L366 PolarHBondContact O-N 3.33Å; A364-L366 VanDerWaalsContact C-N 3.28Å; A364-L366 PolarHBondContact O-N 3.44Å; L366-F368 PolarHBondContact O-N 3.05Å; L366-M387 HydrophobicContact CD1-CB 3.74Å; L366-V451 HydrophobicContact CD2-CB 4.27Å; L366-V451 HydrophobicContact CD2-CG1 3.63Å; L366-V451 HydrophobicContact CD2-CG2 3.57Å; L366-L495 HydrophobicContact CD1-CB 4.09Å; L366-L495 HydrophobicContact CD1-CD1 4.28Å; L366-R583 PolarHBondContact O-NH2 2.88Å
367	L	91.4	Very high	89.2	Confident	2 Å²	2	40.1 Å²	40.1	1%	0.01	21%	0.205	C	C	.	.	H	α-helix	trans	-66.5	-31.6	178.3	-74.7	174.4	0	0	0	113	I349 I363 A364 C365 V404 C407 V451 I579 R583	I349-L367 HydrophobicContact CD1-CD1 4.39Å; I363-L367 HydrophobicContact CG2-CD1 4.35Å; I363-L367 WeakPolarHBondContact O-CG 3.15Å; I363-L367 PolarHBondContact O-N 2.98Å; A364-L367 WeakPolarHBondContact O-CB 3.43Å; A364-L367 PolarHBondContact O-N 3.43Å; C365-L367 VanDerWaalsContact C-N 3.35Å; C365-L367 PolarHBondContact O-N 2.99Å; L367-V404 HydrophobicContact CD2-CG1 4.12Å; L367-C407 HydrophobicContact CD1-CB 4.17Å; L367-V451 HydrophobicContact CD2-CG2 4.34Å; L367-I579 HydrophobicContact CB-CD1 3.88Å; L367-I579 HydrophobicContact CB-CG1 4.47Å; L367-I579 HydrophobicContact CD1-CD1 3.98Å; L367-I579 HydrophobicContact CD2-CD1 4.37Å; L367-I579 HydrophobicContact CG-CD1 4.31Å; L367-I579 WeakPolarHBondContact O-CG2 3.45Å; L367-R583 PolarHBondContact O-NE 2.82Å; L367-R583 PolarHBondContact O-NH2 3.16Å
368	F	90.4	Very high	88.8	Confident	4 Å²	4	38.6 Å²	38.6	2%	0.018	21%	0.207	C	C	.	.	H	α-helix	trans	-85.3	-37.5	174.5	-71.7	-86.5	0	0	0	112.8	L345 A364 C365 L366 F578 I579 A582 R583 K641 M642	L345-F368 HydrophobicContact CD1-CE2 3.97Å; L345-F368 HydrophobicContact CD1-CZ 4.05Å; A364-F368 VanDerWaalsContact O-CD2 3.25Å; A364-F368 WeakPolarHBondContact O-CD2 3.08Å; A364-F368 PolarHBondContact O-N 3.23Å; C365-F368 PolarHBondContact O-N 2.7Å; L366-F368 PolarHBondContact O-N 3.05Å; F368-F578 AromaticContact CE1-CD1 3.82Å; F368-F578 HydrophobicContact CE1-CD1 3.82Å; F368-F578 AromaticContact CE1-CE1 3.64Å; F368-F578 HydrophobicContact CE1-CE1 3.64Å; F368-F578 HydrophobicContact CE1-CZ 4.46Å; F368-F578 AromaticContact CZ-CD1 3.59Å; F368-F578 HydrophobicContact CZ-CD1 3.59Å; F368-F578 AromaticContact CZ-CE1 3.48Å; F368-F578 HydrophobicContact CZ-CE1 3.48Å; F368-F578 VanDerWaalsContact CZ-CE1 3.48Å; F368-I579 HydrophobicContact CE1-CG1 4.15Å; F368-I579 HydrophobicContact CE2-CG1 4.29Å; F368-I579 HydrophobicContact CZ-CG1 3.95Å; F368-A582 HydrophobicContact CD1-CB 3.71Å; F368-A582 HydrophobicContact CE1-CB 3.67Å; F368-R583 WeakPolarHBondContact O-CG 3.21Å; F368-R583 PolarHBondContact O-NE 3.3Å; F368-K641 HydrophobicContact CB-CD 4.24Å; F368-K641 PolarHBondContact O-NZ 3.28Å; F368-M642 HydrophobicContact CD1-CG 4.32Å; F368-M642 HydrophobicContact CD2-CE 3.53Å; F368-M642 HydrophobicContact CD2-CG 3.44Å; F368-M642 VanDerWaalsContact CD2-CG 3.44Å; F368-M642 HydrophobicContact CD2-SD 4.28Å; F368-M642 HydrophobicContact CE1-CG 4.42Å; F368-M642 HydrophobicContact CE2-CE 4Å; F368-M642 HydrophobicContact CE2-CG 3.6Å; F368-M642 HydrophobicContact CE2-SD 4.4Å; F368-M642 HydrophobicContact CG-CE 4.45Å; F368-M642 HydrophobicContact CG-CG 3.84Å; F368-M642 HydrophobicContact CZ-CG 4.1Å
369	G	88.7	Confident	88.3	Confident	3 Å²	3	41.6 Å²	41.6	3%	0.031	22%	0.222	C	C	.	.			trans	63.7	168.5	-174.7	0	0	0	0	0	113.5	C365 K641	C365-G369 PolarHBondContact O-N 2.91Å; G369-K641 WeakPolarHBondContact O-CE 3.27Å; G369-K641 PolarHBondContact O-NZ 2.89Å
370	G	87.3	Confident	87.7	Confident	6 Å²	6	47.2 Å²	47.2	6%	0.062	25%	0.25	C	C	.	.			trans	-83.9	-164.3	175.4	0	0	0	0	0	113.4	G383 K641	G370-G383 WeakPolarHBondContact CA-O 3.44Å; G370-G383 PolarHBondContact N-O 3.01Å; G370-K641 PolarHBondContact O-NZ 2.85Å
371	S	86.7	Confident	87.3	Confident	15 Å²	15	52.1 Å²	52.1	11%	0.105	27%	0.268	C	S	.	.			trans	-99.2	130.9	177.1	-179.5	0	0	0	0	110.8	K373 R589 E637	S371-K373 PolarHBondContact O-N 3.46Å; S371-R589 PolarHBondContact OG-NH1 2.86Å; S371-E637 PolarHBondContact N-OE2 3.33Å
372	R	85.5	Confident	87	Confident	87 Å²	87	52.4 Å²	52.4	33%	0.328	27%	0.268	S	S	.	.			trans	-77	124.5	171.4	-66.5	-178.3	-174.8	173.2	-0.4	109.3	D384 R491	R372-D384 IonicContact CZ-OD1 3.57Å; R372-D384 IonicContact CZ-OD2 3.87Å; R372-D384 IonicContact NE-OD1 3.77Å; R372-D384 PolarHBondContact NE-OD1 2.84Å; R372-D384 IonicContact NE-OD2 3.32Å; R372-D384 VanDerWaalsContact NH2-CG 3.31Å; R372-D384 IonicContact NH2-OD1 2.92Å; R372-D384 PolarHBondContact NH2-OD1 3.09Å; R372-D384 VanDerWaalsContact NH2-OD1 3.09Å; R372-D384 IonicContact NH2-OD2 2.72Å; R372-D384 PolarHBondContact NH2-OD2 2.72Å; R372-R491 VanDerWaalsContact NH1-NE 3.19Å; R372-R491 PolarHBondContact NH2-O 3.05Å
373	K	84.8	Confident	86.5	Confident	54 Å²	54	52.4 Å²	52.4	24%	0.235	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	118.7	-177.9	-41.8	-170.5	-173.6	175.1	0	108.9	S371 R381 E637	S371-K373 PolarHBondContact O-N 3.46Å; K373-R381 HydrophobicContact CB-CB 4.24Å; K373-R381 PolarHBondContact N-O 3.16Å; K373-R381 PolarHBondContact O-N 2.72Å; K373-E637 WeakPolarHBondContact CE-OE1 3.49Å; K373-E637 IonicContact NZ-OE1 2.83Å; K373-E637 PolarHBondContact NZ-OE1 3.08Å
374	R	84.4	Confident	86.4	Confident	151 Å²	151	53.2 Å²	53.2	57%	0.57	27%	0.272	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.8	114.3	167.3	-67.3	-176.6	175.2	170.1	-0.4	107.2	E303 M380	E303-R374 IonicContact OE1-CZ 3.38Å; E303-R374 IonicContact OE1-NH1 3.1Å; E303-R374 PolarHBondContact OE1-NH1 3.17Å; E303-R374 IonicContact OE1-NH2 3.32Å; E303-R374 PolarHBondContact OE1-NH2 3.2Å; R374-M380 HydrophobicContact CG-CE 4.49Å; R374-M380 HydrophobicContact CG-CG 4.24Å; R374-M380 HydrophobicContact CG-SD 4.4Å
375	L	84.8	Confident	86.4	Confident	68 Å²	68	53.2 Å²	53.2	36%	0.356	27%	0.272	S	S	.	.			trans	-75.9	154.5	172.2	-70.7	141.8	0	0	0	109.1	D377 G378 L379 R381	L375-D377 PolarHBondContact O-N 3.27Å; L375-D377 VanDerWaalsContact O-N 3.11Å; L375-G378 PolarHBondContact O-N 2.85Å; L375-L379 HydrophobicContact CB-CB 4.41Å; L375-L379 HydrophobicContact CD1-CB 3.86Å; L375-L379 PolarHBondContact N-O 2.88Å; L375-R381 HydrophobicContact CD1-CG 3.96Å
376	P	86.1	Confident	86.4	Confident	134 Å²	134	53.2 Å²	53.2	87%	0.87	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.9	-28.1	173.6	-26.2	35.2	0	0	0	113.5	G378	P376-G378 PolarHBondContact O-N 2.82Å
377	D	84.4	Confident	86.4	Confident	133 Å²	133	53.2 Å²	53.2	71%	0.711	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.8	-2.5	178	-53.1	-27.5	0	0	0	113.8	L375 L379	L375-D377 PolarHBondContact O-N 3.27Å; L375-D377 VanDerWaalsContact O-N 3.11Å; D377-L379 PolarHBondContact O-N 2.86Å
378	G	77.7	Confident	86.4	Confident	54 Å²	54	53.1 Å²	53.1	56%	0.557	27%	0.272	S	S	*	.	S	Bend	trans	81.1	-7.5	-174.8	0	0	0	0	0	114.3	L375 P376 M380	L375-G378 PolarHBondContact O-N 2.85Å; P376-G378 PolarHBondContact O-N 2.82Å; G378-M380 PolarHBondContact O-N 3.45Å
379	L	79.9	Confident	86.5	Confident	103 Å²	103	52.9 Å²	52.9	54%	0.539	27%	0.271	S	S	.	.	P	Polyproline II helix	trans	-63.4	121	172.2	-74.3	169.5	0	0	0	110.1	L375 D377	L375-L379 HydrophobicContact CB-CB 4.41Å; L375-L379 HydrophobicContact CD1-CB 3.86Å; L375-L379 PolarHBondContact N-O 2.88Å; D377-L379 PolarHBondContact O-N 2.86Å
380	M	80.2	Confident	86.4	Confident	131 Å²	131	53 Å²	53	65%	0.645	27%	0.27	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.8	120.4	174.3	-58	-160.8	-172.7	0	0	109.2	R374 G378	R374-M380 HydrophobicContact CG-CE 4.49Å; R374-M380 HydrophobicContact CG-CG 4.24Å; R374-M380 HydrophobicContact CG-SD 4.4Å; G378-M380 PolarHBondContact O-N 3.45Å
381	R	83.5	Confident	86.3	Confident	120 Å²	120	52.7 Å²	52.7	45%	0.453	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	130.1	170.2	-66.6	-70.9	177.4	178	-8.4	109.1	K373 L375 G383 E630	K373-R381 HydrophobicContact CB-CB 4.24Å; K373-R381 PolarHBondContact N-O 3.16Å; K373-R381 PolarHBondContact O-N 2.72Å; L375-R381 HydrophobicContact CD1-CG 3.96Å; R381-G383 PolarHBondContact O-N 3.44Å; R381-E630 IonicContact CZ-OE1 2.78Å; R381-E630 IonicContact NH1-OE1 2.77Å; R381-E630 PolarHBondContact NH1-OE1 2.84Å
382	R	85.6	Confident	86.2	Confident	35 Å²	35	52.7 Å²	52.7	13%	0.132	27%	0.266	C	S	.	.	P	Polyproline II helix	trans	-57.2	131.4	176	173.7	165.6	168.5	-139.2	-29.5	109.9	D384 N386 M472 Q475 D525 R634	R382-D384 PolarHBondContact NE-O 3Å; R382-D384 PolarHBondContact NH2-O 2.82Å; R382-N386 PolarHBondContact NH1-ND2 2.95Å; R382-N386 VanDerWaalsContact NH1-ND2 3.14Å; R382-N386 PolarHBondContact NH2-ND2 2.99Å; R382-N386 PolarHBondContact NH2-OD1 2.98Å; R382-M472 WeakPolarHBondContact CD-O 3.47Å; R382-M472 PolarHBondContact NH1-O 3.18Å; R382-Q475 HydrophobicContact CB-CG 4.48Å; R382-Q475 HydrophobicContact CG-CG 4.24Å; R382-D525 IonicContact NH2-OD2 3.68Å; R382-D525 PolarHBondContact NH2-OD2 2.93Å; R382-R634 VanDerWaalsContact CZ-NH1 3.31Å; R382-R634 WeakPolarHBondContact O-CD 3.45Å
383	G	82.8	Confident	86.2	Confident	0 Å²	0	52.3 Å²	52.3	0%	0	28%	0.275	C	S	.	.			trans	-104.2	-16.1	175.3	0	0	0	0	0	113.8	G370 R381	G370-G383 WeakPolarHBondContact CA-O 3.44Å; G370-G383 PolarHBondContact N-O 3.01Å; R381-G383 PolarHBondContact O-N 3.44Å
384	D	90.4	Very high	86.2	Confident	17 Å²	17	53.7 Å²	53.7	9%	0.091	31%	0.305	C	S	.	.			trans	-88.7	145.3	-170.1	-53.9	-21	0	0	0	111.1	R372 R382 Q475 R491 R634	R372-D384 IonicContact CZ-OD1 3.57Å; R372-D384 IonicContact CZ-OD2 3.87Å; R372-D384 IonicContact NE-OD1 3.77Å; R372-D384 PolarHBondContact NE-OD1 2.84Å; R372-D384 IonicContact NE-OD2 3.32Å; R372-D384 VanDerWaalsContact NH2-CG 3.31Å; R372-D384 IonicContact NH2-OD1 2.92Å; R372-D384 PolarHBondContact NH2-OD1 3.09Å; R372-D384 VanDerWaalsContact NH2-OD1 3.09Å; R372-D384 IonicContact NH2-OD2 2.72Å; R372-D384 PolarHBondContact NH2-OD2 2.72Å; R382-D384 PolarHBondContact NE-O 3Å; R382-D384 PolarHBondContact NH2-O 2.82Å; D384-Q475 PolarHBondContact OD2-NE2 2.78Å; D384-R491 VanDerWaalsContact OD2-C 3.31Å; D384-R634 PolarHBondContact O-NH1 3.42Å
385	I	92.6	Very high	86.2	Confident	0 Å²	0	48 Å²	48	0%	0	29%	0.287	C	S	.	.			trans	-100.3	135.6	-177.8	-59.1	170	0	0	0	109.5	C365 S493 D525 M526 R634 I635	C365-I385 HydrophobicContact CB-CD1 4.37Å; I385-S493 PolarHBondContact N-OG 3.33Å; I385-S493 VanDerWaalsContact O-CB 3.26Å; I385-S493 WeakPolarHBondContact O-CB 3.41Å; I385-S493 PolarHBondContact O-OG 3.01Å; I385-D525 WeakPolarHBondContact CA-OD2 3.15Å; I385-D525 HydrophobicContact CG2-CB 4.11Å; I385-M526 HydrophobicContact CG2-CE 3.74Å; I385-R634 HydrophobicContact CD1-CB 4.4Å; I385-R634 HydrophobicContact CG1-CB 3.93Å; I385-I635 HydrophobicContact CD1-CG1 4.17Å
386	N	93.7	Very high	86.2	Confident	0 Å²	0	46.5 Å²	46.5	0%	0	28%	0.284	C	S	.	.			trans	-113	136.7	175.5	-68.8	-10.6	0	0	0	110.7	R382 M472 V494 F524 D525 M526	R382-N386 PolarHBondContact NH1-ND2 2.95Å; R382-N386 VanDerWaalsContact NH1-ND2 3.14Å; R382-N386 PolarHBondContact NH2-ND2 2.99Å; R382-N386 PolarHBondContact NH2-OD1 2.98Å; N386-M472 HydrophobicContact CB-CE 4.07Å; N386-M472 WeakPolarHBondContact ND2-CE 3.46Å; N386-V494 CarbonylContact C-O 3.5Å; N386-V494 VanDerWaalsContact CA-O 3.29Å; N386-V494 WeakPolarHBondContact CA-O 3.37Å; N386-V494 HydrophobicContact CB-CB 4.48Å; N386-V494 PolarHBondContact OD1-N 3.18Å; N386-F524 HydrophobicContact CB-CD1 3.87Å; N386-F524 HydrophobicContact CB-CE1 4.37Å; N386-D525 PolarHBondContact N-OD2 2.82Å; N386-D525 WeakPolarHBondContact O-CB 3.5Å; N386-D525 PolarHBondContact O-N 3.16Å; N386-M526 PolarHBondContact O-N 2.82Å
387	M	93.2	Very high	86.3	Confident	0 Å²	0	40.5 Å²	40.5	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	138.9	-176	-179.6	-177.4	172	0	0	110.9	I359 A362 I363 L366 M389 V494 L495 A496 M526 F528	I359-M387 HydrophobicContact CB-CE 4.46Å; I359-M387 HydrophobicContact CG2-CE 3.62Å; A362-M387 HydrophobicContact CB-CE 4.04Å; A362-M387 HydrophobicContact CB-SD 4.02Å; I363-M387 HydrophobicContact CG1-CE 3.99Å; I363-M387 HydrophobicContact CG1-SD 3.88Å; L366-M387 HydrophobicContact CD1-CB 3.74Å; M387-M389 HydrophobicContact CE-CG 3.95Å; M387-M389 HydrophobicContact CE-SD 4.21Å; M387-V494 PolarHBondContact N-O 3.44Å; M387-L495 HydrophobicContact CB-CD1 3.76Å; M387-L495 HydrophobicContact CG-CD1 3.8Å; M387-L495 WeakPolarHBondContact O-CA 3.29Å; M387-L495 HydrophobicContact SD-CD1 3.68Å; M387-A496 PolarHBondContact O-N 3.2Å; M387-M526 WeakPolarHBondContact CA-O 3.4Å; M387-M526 HydrophobicContact CG-CB 4.43Å; M387-F528 HydrophobicContact CE-CD2 3.29Å; M387-F528 HydrophobicContact CE-CE2 3.5Å; M387-F528 VanDerWaalsContact CE-CE2 3.5Å; M387-F528 HydrophobicContact CE-CG 4.27Å; M387-F528 HydrophobicContact CG-CD2 4.12Å; M387-F528 HydrophobicContact CG-CE2 4.27Å; M387-F528 HydrophobicContact SD-CD2 4.34Å; M387-F528 HydrophobicContact SD-CE2 4.23Å
388	L	92	Very high	86.5	Confident	0 Å²	0	36.4 Å²	36.4	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	129.1	176.3	-179.5	65.8	0	0	0	110	L390 F457 A496 A498 L521 F524 M526 I527 F528	L388-L390 HydrophobicContact CD2-CD1 4.05Å; L388-L390 HydrophobicContact CD2-CD2 4.26Å; L388-L390 HydrophobicContact CD2-CG 4.06Å; L388-L390 HydrophobicContact CG-CD2 4.42Å; L388-L390 HydrophobicContact CG-CG 4.1Å; L388-F457 HydrophobicContact CD1-CD1 4.43Å; L388-A496 CarbonylContact C-O 3.34Å; L388-A496 WeakPolarHBondContact CA-O 3.3Å; L388-A496 HydrophobicContact CD1-CB 3.7Å; L388-A498 HydrophobicContact CD1-CB 4.4Å; L388-L521 HydrophobicContact CD2-CD2 3.7Å; L388-F524 HydrophobicContact CB-CB 4.22Å; L388-F524 HydrophobicContact CB-CD1 3.82Å; L388-F524 HydrophobicContact CB-CD2 4.13Å; L388-F524 HydrophobicContact CB-CE1 4.18Å; L388-F524 HydrophobicContact CB-CE2 4.45Å; L388-F524 HydrophobicContact CB-CG 3.79Å; L388-F524 HydrophobicContact CB-CZ 4.48Å; L388-F524 HydrophobicContact CD1-CE2 4.42Å; L388-F524 HydrophobicContact CD1-CZ 4.33Å; L388-F524 HydrophobicContact CD2-CD2 4.12Å; L388-F524 HydrophobicContact CD2-CE2 4.32Å; L388-M526 PolarHBondContact N-O 3.11Å; L388-I527 HydrophobicContact CB-CG1 4.39Å; L388-I527 HydrophobicContact CD2-CG2 4.27Å; L388-I527 CarbonylContact O-C 3.5Å; L388-I527 WeakPolarHBondContact O-CA 3.31Å; L388-F528 PolarHBondContact O-N 3.18Å
389	M	91.4	Very high	87.1	Confident	0 Å²	0	39 Å²	39	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	108	173.2	-62.9	-175	-65.6	0	0	109.8	I359 M387 L400 L401 L495 A496 A497 A498 I530	I359-M389 HydrophobicContact CG2-SD 4.02Å; M387-M389 HydrophobicContact CE-CG 3.95Å; M387-M389 HydrophobicContact CE-SD 4.21Å; M389-L400 HydrophobicContact CE-CB 4.47Å; M389-L400 HydrophobicContact SD-CD1 4.11Å; M389-L401 HydrophobicContact CE-CD2 3.81Å; M389-L401 HydrophobicContact CE-CG 4.18Å; M389-L495 HydrophobicContact CE-CD1 4.21Å; M389-L495 HydrophobicContact CE-CG 4.45Å; M389-A496 PolarHBondContact N-O 3.37Å; M389-A497 HydrophobicContact CE-CB 4.3Å; M389-A497 WeakPolarHBondContact O-CA 3.34Å; M389-A498 PolarHBondContact O-N 3.03Å; M389-I530 HydrophobicContact CB-CD1 4.37Å
390	L	87.8	Confident	87.6	Confident	5 Å²	5	34.5 Å²	34.5	3%	0.026	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	157.2	172.9	-65.4	166.8	0	0	0	109.7	L388 K397 A498 W505 I514 F516 I527 F528 V529 I530	L388-L390 HydrophobicContact CD2-CD1 4.05Å; L388-L390 HydrophobicContact CD2-CD2 4.26Å; L388-L390 HydrophobicContact CD2-CG 4.06Å; L388-L390 HydrophobicContact CG-CD2 4.42Å; L388-L390 HydrophobicContact CG-CG 4.1Å; L390-K397 VanDerWaalsContact C-NZ 3.32Å; L390-A498 HydrophobicContact CD2-CB 3.6Å; L390-W505 HydrophobicContact CB-CZ3 4.45Å; L390-I514 HydrophobicContact CD1-CD1 4.1Å; L390-F516 HydrophobicContact CD2-CD2 4.43Å; L390-F516 HydrophobicContact CD2-CE2 3.85Å; L390-I527 HydrophobicContact CD1-CG2 3.8Å; L390-F528 PolarHBondContact N-O 2.77Å; L390-V529 HydrophobicContact CB-CG2 4.45Å; L390-I530 PolarHBondContact O-N 2.92Å
391	G	84.5	Confident	88.2	Confident	0 Å²	0	28.2 Å²	28.2	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	145.4	-168.4	175.3	0	0	0	0	0	114.9	K397 S500 I530	G391-K397 PolarHBondContact O-NZ 3.41Å; G391-S500 PolarHBondContact O-N 3.42Å; G391-I530 WeakPolarHBondContact CA-O 3.38Å
392	D	85.7	Confident	88.6	Confident	15 Å²	15	26.3 Å²	26.3	8%	0.08	16%	0.164	C	C	.	.			trans	-76.2	153.9	-176.2	-59.8	-23.1	0	0	0	112.2	T395 R504 W505 I530 D532	D392-T395 HydrophobicContact CB-CG2 4.39Å; D392-T395 PolarHBondContact O-OG1 3.31Å; D392-R504 VanDerWaalsContact OD1-CA 3.24Å; D392-R504 WeakPolarHBondContact OD1-CA 3.28Å; D392-W505 PolarHBondContact OD1-N 2.82Å; D392-I530 PolarHBondContact N-O 2.83Å; D392-D532 HydrophobicContact CB-CB 4.37Å; D392-D532 PolarHBondContact OD2-N 3.45Å
393	P	85.2	Confident	88.8	Confident	79 Å²	79	26.2 Å²	26.2	51%	0.513	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.7	143.6	168.6	30.5	-33.2	0	0	0	109.7	G503	P393-G503 WeakPolarHBondContact CD-O 3.01Å
394	G	83.3	Confident	89.2	Confident	83 Å²	83	26.3 Å²	26.3	86%	0.856	17%	0.165	S	C	*	.	T	Hydrogen-bonded Turn	trans	102.7	-11.7	179.4	0	0	0	0	0	115	A396	G394-A396 PolarHBondContact O-N 2.79Å
395	T	84.5	Confident	89.1	Confident	32 Å²	32	28 Å²	28	20%	0.196	17%	0.173	C	C	.	.	S	Bend	trans	-82.3	32.2	-179.1	71.6	0	0	0	0	114	D392 K397 I530 D532	D392-T395 HydrophobicContact CB-CG2 4.39Å; D392-T395 PolarHBondContact O-OG1 3.31Å; T395-K397 PolarHBondContact O-N 3.14Å; T395-K397 WeakPolarHBondContact OG1-CE 2.96Å; T395-K397 WeakPolarHBondContact OG1-CG 3.07Å; T395-I530 HydrophobicContact CG2-CG2 3.88Å; T395-D532 HydrophobicContact CG2-CB 4.39Å
396	A	85.9	Confident	88.7	Confident	35 Å²	35	35.4 Å²	35.4	29%	0.289	20%	0.2	S	C	.	.	S	Bend	trans	55	15.3	178.6	0	0	0	0	0	117.8	I353 G394 S398 Q399 L400	I353-A396 HydrophobicContact CD1-CB 3.84Å; I353-A396 HydrophobicContact CG1-CB 4.15Å; I353-A396 HydrophobicContact CG2-CB 4.33Å; G394-A396 PolarHBondContact O-N 2.79Å; A396-S398 PolarHBondContact O-N 2.71Å; A396-Q399 WeakPolarHBondContact O-CB 3.36Å; A396-Q399 PolarHBondContact O-N 2.72Å; A396-L400 PolarHBondContact O-N 3.32Å; A396-L400 VanDerWaalsContact O-N 3.08Å
397	K	88.5	Confident	88.3	Confident	9 Å²	9	35.4 Å²	35.4	4%	0.039	20%	0.2	C	C	.	.	H	α-helix	trans	-52.7	-48.3	-179.2	-63.9	176.9	-169.4	166.5	0	113.7	L390 G391 T395 Q399 L400 L401 A497 A498 I530	L390-K397 VanDerWaalsContact C-NZ 3.32Å; G391-K397 PolarHBondContact O-NZ 3.41Å; T395-K397 PolarHBondContact O-N 3.14Å; T395-K397 WeakPolarHBondContact OG1-CE 2.96Å; T395-K397 WeakPolarHBondContact OG1-CG 3.07Å; K397-Q399 PolarHBondContact O-N 3.09Å; K397-L400 WeakPolarHBondContact O-CB 3.36Å; K397-L400 PolarHBondContact O-N 2.65Å; K397-L400 VanDerWaalsContact O-N 3.13Å; K397-L401 PolarHBondContact O-N 2.96Å; K397-A497 HydrophobicContact CB-CB 4.3Å; K397-A497 HydrophobicContact CD-CB 4.46Å; K397-A498 PolarHBondContact NZ-O 3.05Å; K397-I530 HydrophobicContact CD-CD1 4.42Å; K397-I530 HydrophobicContact CG-CD1 3.91Å
398	S	88.8	Confident	87.8	Confident	46 Å²	46	35.4 Å²	35.4	32%	0.322	20%	0.2	S	C	.	.	H	α-helix	trans	-65.3	-27	179.9	-51.3	0	0	0	0	112.4	A396 K402 D455	A396-S398 PolarHBondContact O-N 2.71Å; S398-K402 VanDerWaalsContact O-CG 3.31Å; S398-K402 WeakPolarHBondContact O-CG 3.23Å; S398-K402 PolarHBondContact O-N 2.73Å; S398-D455 WeakPolarHBondContact CB-OD2 2.94Å; S398-D455 PolarHBondContact OG-OD2 3.49Å
399	Q	89.3	Confident	86.9	Confident	110 Å²	110	35.9 Å²	35.9	51%	0.514	20%	0.203	S	C	.	.	H	α-helix	trans	-74.3	-37.2	173.8	-63.8	-65.9	9.3	0	0	111.6	I353 A396 K397 K402 F403	I353-Q399 HydrophobicContact CD1-CB 4.02Å; A396-Q399 WeakPolarHBondContact O-CB 3.36Å; A396-Q399 PolarHBondContact O-N 2.72Å; K397-Q399 PolarHBondContact O-N 3.09Å; Q399-K402 PolarHBondContact O-N 2.89Å; Q399-F403 WeakPolarHBondContact O-CB 3.2Å; Q399-F403 PolarHBondContact O-N 2.93Å
400	L	91.7	Very high	86.3	Confident	7 Å²	7	36 Å²	36	4%	0.037	20%	0.204	C	C	.	.	H	α-helix	trans	-59.7	-46.6	170.9	-72.9	169.3	0	0	0	111.2	A350 I353 I359 I363 M389 A396 K397 K402 F403 V404	A350-L400 HydrophobicContact CB-CD2 3.85Å; I353-L400 HydrophobicContact CD1-CD2 3.62Å; I353-L400 HydrophobicContact CD1-CG 3.59Å; I359-L400 HydrophobicContact CG2-CD1 4.17Å; I363-L400 HydrophobicContact CD1-CB 4.43Å; I363-L400 HydrophobicContact CD1-CD1 4.5Å; I363-L400 HydrophobicContact CD1-CD2 4.14Å; M389-L400 HydrophobicContact CE-CB 4.47Å; M389-L400 HydrophobicContact SD-CD1 4.11Å; A396-L400 PolarHBondContact O-N 3.32Å; A396-L400 VanDerWaalsContact O-N 3.08Å; K397-L400 WeakPolarHBondContact O-CB 3.36Å; K397-L400 PolarHBondContact O-N 2.65Å; K397-L400 VanDerWaalsContact O-N 3.13Å; L400-K402 PolarHBondContact O-N 3.02Å; L400-F403 PolarHBondContact O-N 2.71Å; L400-F403 VanDerWaalsContact O-N 3.17Å; L400-V404 WeakPolarHBondContact O-CG2 3.49Å; L400-V404 PolarHBondContact O-N 2.6Å
401	L	92.5	Very high	86.1	Confident	0 Å²	0	36.2 Å²	36.2	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-56.8	-48.2	177.4	-68.1	-177.4	0	0	0	112.1	M389 K397 F403 V404 E405 Y413 C453 D455 L495 A497	M389-L401 HydrophobicContact CE-CD2 3.81Å; M389-L401 HydrophobicContact CE-CG 4.18Å; K397-L401 PolarHBondContact O-N 2.96Å; L401-F403 VanDerWaalsContact C-N 3.31Å; L401-F403 PolarHBondContact O-N 3.41Å; L401-V404 PolarHBondContact O-N 3.44Å; L401-E405 PolarHBondContact O-N 3.49Å; L401-Y413 HydrophobicContact CB-CD2 4.12Å; L401-Y413 HydrophobicContact CB-CE2 3.99Å; L401-Y413 HydrophobicContact CD1-CE2 4.07Å; L401-C453 HydrophobicContact CB-CB 4.15Å; L401-C453 HydrophobicContact CD2-CB 4.05Å; L401-D455 HydrophobicContact CD1-CB 3.83Å; L401-L495 HydrophobicContact CD2-CB 4.35Å; L401-L495 HydrophobicContact CD2-CD2 3.57Å; L401-L495 HydrophobicContact CD2-CG 3.5Å; L401-A497 HydrophobicContact CD1-CB 3.72Å; L401-A497 HydrophobicContact CG-CB 4.36Å
402	K	90.2	Very high	86.2	Confident	80 Å²	80	37.2 Å²	37.2	35%	0.348	21%	0.213	S	C	.	.	H	α-helix	trans	-64.2	-35.5	177.5	-71	172.9	-176.2	178.8	0	112.6	S398 Q399 L400 R406	S398-K402 VanDerWaalsContact O-CG 3.31Å; S398-K402 WeakPolarHBondContact O-CG 3.23Å; S398-K402 PolarHBondContact O-N 2.73Å; Q399-K402 PolarHBondContact O-N 2.89Å; L400-K402 PolarHBondContact O-N 3.02Å; K402-R406 WeakPolarHBondContact O-CG 3.36Å; K402-R406 PolarHBondContact O-N 3.24Å
403	F	89.9	Confident	86.4	Confident	33 Å²	33	40.1 Å²	40.1	15%	0.145	22%	0.223	C	C	.	.	H	α-helix	trans	-68.2	-43	176.2	-171.8	-89.2	0	0	0	111.2	I349 A350 Q399 L400 L401 E405 R406 C407 L572	I349-F403 HydrophobicContact CB-CE1 4.27Å; I349-F403 HydrophobicContact CG2-CD1 4.08Å; I349-F403 HydrophobicContact CG2-CE1 3.98Å; A350-F403 HydrophobicContact CB-CB 4.37Å; A350-F403 HydrophobicContact CB-CD1 3.99Å; A350-F403 HydrophobicContact CB-CD2 4.27Å; A350-F403 HydrophobicContact CB-CE1 4.38Å; A350-F403 HydrophobicContact CB-CG 3.94Å; Q399-F403 WeakPolarHBondContact O-CB 3.2Å; Q399-F403 PolarHBondContact O-N 2.93Å; L400-F403 PolarHBondContact O-N 2.71Å; L400-F403 VanDerWaalsContact O-N 3.17Å; L401-F403 VanDerWaalsContact C-N 3.31Å; L401-F403 PolarHBondContact O-N 3.41Å; F403-E405 PolarHBondContact O-N 3.26Å; F403-R406 CarbonylContact O-C 3.39Å; F403-R406 PolarHBondContact O-N 3.5Å; F403-R406 VanDerWaalsContact O-N 3.16Å; F403-C407 HydrophobicContact CE1-CB 4.45Å; F403-C407 WeakPolarHBondContact CE1-SG 3.43Å; F403-C407 VanDerWaalsContact CZ-SG 3.51Å; F403-C407 PolarHBondContact O-N 3.02Å; F403-L572 HydrophobicContact CE1-CD1 4.41Å; F403-L572 HydrophobicContact CE2-CD1 3.72Å; F403-L572 HydrophobicContact CZ-CD1 3.56Å
404	V	91.6	Very high	86.5	Confident	1 Å²	1	37.1 Å²	37.1	1%	0.006	20%	0.203	C	C	.	.	H	α-helix	trans	-63.6	-40.1	177.6	173	0	0	0	0	111.8	I363 L367 L400 L401 R406 C407 S408 V451 L495	I363-V404 HydrophobicContact CD1-CG2 4.26Å; I363-V404 HydrophobicContact CG1-CG2 4.46Å; I363-V404 HydrophobicContact CG2-CG2 3.34Å; L367-V404 HydrophobicContact CD2-CG1 4.12Å; L400-V404 WeakPolarHBondContact O-CG2 3.49Å; L400-V404 PolarHBondContact O-N 2.6Å; L401-V404 PolarHBondContact O-N 3.44Å; V404-R406 VanDerWaalsContact C-N 3.29Å; V404-R406 PolarHBondContact O-N 3.49Å; V404-C407 PolarHBondContact O-N 3.42Å; V404-S408 WeakPolarHBondContact O-CB 3.24Å; V404-S408 PolarHBondContact O-N 3.18Å; V404-V451 HydrophobicContact CG1-CG1 3.97Å; V404-L495 HydrophobicContact CB-CD2 3.99Å; V404-L495 HydrophobicContact CG1-CD2 3.91Å; V404-L495 HydrophobicContact CG2-CD2 3.86Å
405	E	88	Confident	86.6	Confident	54 Å²	54	34.8 Å²	34.8	25%	0.252	17%	0.174	S	C	.	.	H	α-helix	trans	-54.6	-46.9	172	-176.7	-147.1	-180	0	0	111.3	L401 F403	L401-E405 PolarHBondContact O-N 3.49Å; F403-E405 PolarHBondContact O-N 3.26Å
406	R	84.8	Confident	86.3	Confident	154 Å²	154	33.3 Å²	33.3	58%	0.581	17%	0.165	S	C	*	.	H	α-helix	trans	-72.3	-28.8	179.1	-67.6	176.9	-175	-173	0.3	113.8	K402 F403 V404 L572 R576	K402-R406 WeakPolarHBondContact O-CG 3.36Å; K402-R406 PolarHBondContact O-N 3.24Å; F403-R406 CarbonylContact O-C 3.39Å; F403-R406 PolarHBondContact O-N 3.5Å; F403-R406 VanDerWaalsContact O-N 3.16Å; V404-R406 VanDerWaalsContact C-N 3.29Å; V404-R406 PolarHBondContact O-N 3.49Å; R406-L572 HydrophobicContact CB-CD2 4.3Å; R406-R576 PolarHBondContact O-NE 3.37Å; R406-R576 PolarHBondContact O-NH1 3.31Å; R406-R576 PolarHBondContact O-NH2 2.91Å
407	C	85.2	Confident	85.9	Confident	0 Å²	0	37.8 Å²	37.8	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-82.5	-28.8	176.9	-78.8	0	0	0	0	113	L367 F403 V404 L572 L575 R576	L367-C407 HydrophobicContact CD1-CB 4.17Å; F403-C407 HydrophobicContact CE1-CB 4.45Å; F403-C407 WeakPolarHBondContact CE1-SG 3.43Å; F403-C407 VanDerWaalsContact CZ-SG 3.51Å; F403-C407 PolarHBondContact O-N 3.02Å; V404-C407 PolarHBondContact O-N 3.42Å; C407-L572 WeakPolarHBondContact SG-CD1 3.47Å; C407-L575 HydrophobicContact CB-CD2 4Å; C407-R576 WeakPolarHBondContact O-CG 3.27Å
408	S	82	Confident	84.7	Confident	0 Å²	0	40.1 Å²	40.1	0%	0	20%	0.204	C	C	.	.	S	Bend	trans	-67.9	142.4	179.1	-172	0	0	0	0	110.1	V404 V410 R576	V404-S408 WeakPolarHBondContact O-CB 3.24Å; V404-S408 PolarHBondContact O-N 3.18Å; S408-V410 PolarHBondContact O-N 3.23Å; S408-V410 VanDerWaalsContact OG-C 3.25Å; S408-V410 PolarHBondContact OG-N 3.49Å; S408-V410 PolarHBondContact OG-O 3.44Å; S408-R576 PolarHBondContact O-NE 3.2Å; S408-R576 PolarHBondContact O-NH2 3.41Å
409	P	73.5	Confident	83.3	Confident	10 Å²	10	39 Å²	39	7%	0.065	20%	0.196	C	C	.	.	S	Bend	trans	-59.3	-35	167.8	-22.4	32.4	0	0	0	111.8	S308 I579 A580	S308-P409 VanDerWaalsContact OG-CB 3.27Å; S308-P409 WeakPolarHBondContact OG-CB 3.12Å; P409-I579 HydrophobicContact CG-CG2 4.08Å; P409-A580 HydrophobicContact CG-CB 4.49Å
410	V	79.7	Confident	81.7	Confident	3 Å²	3	37.2 Å²	37.2	2%	0.018	20%	0.196	C	C	.	.	S	Bend	trans	-134	105.1	174.3	177.7	0	0	0	0	107.8	R307 S408 G450 V451	R307-V410 HydrophobicContact CB-CG2 3.79Å; S408-V410 PolarHBondContact O-N 3.23Å; S408-V410 VanDerWaalsContact OG-C 3.25Å; S408-V410 PolarHBondContact OG-N 3.49Å; S408-V410 PolarHBondContact OG-O 3.44Å; V410-G450 CarbonylContact O-C 3.49Å; V410-G450 VanDerWaalsContact O-CA 3.23Å; V410-G450 WeakPolarHBondContact O-CA 3.48Å; V410-V451 PolarHBondContact O-N 2.88Å
411	G	83.8	Confident	79.8	Confident	9 Å²	9	42 Å²	42	9%	0.093	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	133.3	178.9	0	0	0	0	0	110.1	V451	G411-V451 WeakPolarHBondContact CA-O 3.17Å
412	I	85.9	Confident	78.2	Confident	22 Å²	22	42.7 Å²	42.7	11%	0.113	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	122	169.7	-64	-177.7	0	0	0	108.3	P231 A443 L446 A447 V451 C453	P231-I412 HydrophobicContact CG-CD1 4.15Å; P231-I412 HydrophobicContact CG-CG1 4.42Å; I412-A443 HydrophobicContact CG2-CB 4.11Å; I412-L446 HydrophobicContact CD1-CB 3.44Å; I412-L446 VanDerWaalsContact CD1-CB 3.44Å; I412-A447 HydrophobicContact CB-CB 4.39Å; I412-A447 HydrophobicContact CD1-CB 3.9Å; I412-A447 HydrophobicContact CG1-CB 4.19Å; I412-V451 PolarHBondContact N-O 2.83Å; I412-V451 VanDerWaalsContact N-O 3.09Å; I412-C453 PolarHBondContact O-N 3.3Å
413	Y	89.1	Confident	77.3	Confident	76 Å²	76	39.3 Å²	39.3	30%	0.298	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	130.6	171	177.6	-98.1	0	0	0	110.3	L401 C453 D455	L401-Y413 HydrophobicContact CB-CD2 4.12Å; L401-Y413 HydrophobicContact CB-CE2 3.99Å; L401-Y413 HydrophobicContact CD1-CE2 4.07Å; Y413-C453 WeakPolarHBondContact CA-O 3.39Å; Y413-C453 HydrophobicContact CD2-CB 4.11Å; Y413-D455 HydrophobicContact CE2-CB 3.95Å; Y413-D455 WeakPolarHBondContact OH-CB 3.46Å; Y413-D455 PolarHBondContact OH-OD2 2.88Å
414	T	87.5	Confident	76.7	Confident	15 Å²	15	37.7 Å²	37.7	9%	0.092	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	156.3	176.9	-171.2	0	0	0	0	110.9	S419 L424 V452 C453 I454 D455	T414-S419 PolarHBondContact OG1-OG 2.87Å; T414-L424 HydrophobicContact CG2-CD2 3.45Å; T414-L424 VanDerWaalsContact CG2-CD2 3.45Å; T414-V452 HydrophobicContact CG2-CG1 4.25Å; T414-C453 PolarHBondContact N-O 3.06Å; T414-I454 HydrophobicContact CG2-CB 4.32Å; T414-I454 HydrophobicContact CG2-CG1 3.81Å; T414-I454 HydrophobicContact CG2-CG2 4.36Å; T414-I454 WeakPolarHBondContact O-CA 3.31Å; T414-D455 PolarHBondContact O-N 3Å
415	S	86.8	Confident	75.8	Confident	34 Å²	34	38.5 Å²	38.5	24%	0.238	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	141.7	171.9	167.6	0	0	0	0	109.6	K417 G418 S419	S415-K417 PolarHBondContact O-N 3.4Å; S415-G418 PolarHBondContact O-N 3.16Å; S415-G418 VanDerWaalsContact O-N 3.13Å; S415-S419 PolarHBondContact O-N 3.26Å; S415-S419 PolarHBondContact O-OG 3.02Å
416	G	77	Confident	75.3	Confident	1 Å²	1	36.2 Å²	36.2	1%	0.01	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.9	-30.9	-178.9	0	0	0	0	0	114.3	D455 M460	G416-D455 PolarHBondContact N-O 3.01Å; G416-M460 VanDerWaalsContact CA-CG 3.41Å
417	K	77.9	Confident	74.9	Confident	129 Å²	129	30.6 Å²	30.6	56%	0.561	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.3	-32	173.6	-77.4	176.5	164.9	176.3	0	113.9	S415 K459	S415-K417 PolarHBondContact O-N 3.4Å; K417-K459 HydrophobicContact CD-CB 3.85Å; K417-K459 HydrophobicContact CD-CD 3.97Å; K417-K459 HydrophobicContact CD-CG 4.31Å; K417-K459 HydrophobicContact CG-CB 3.78Å; K417-K459 WeakPolarHBondContact CG-O 3.38Å
418	G	64.3	Low	74.6	Confident	58 Å²	58	31.9 Å²	31.9	60%	0.598	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93.2	11.9	-168.4	0	0	0	0	0	114.7	S415 S420	S415-G418 PolarHBondContact O-N 3.16Å; S415-G418 VanDerWaalsContact O-N 3.13Å; G418-S420 PolarHBondContact O-N 3.47Å
419	S	59.2	Low	74.6	Confident	22 Å²	22	33.9 Å²	33.9	15%	0.154	22%	0.223	C	C	.	.			trans	-66.2	130.7	177.7	-64.4	0	0	0	0	109	T414 S415 L424	T414-S419 PolarHBondContact OG1-OG 2.87Å; S415-S419 PolarHBondContact O-N 3.26Å; S415-S419 PolarHBondContact O-OG 3.02Å; S419-L424 WeakPolarHBondContact OG-CD2 3.32Å; S419-L424 VanDerWaalsContact OG-CG 3.24Å; S419-L424 WeakPolarHBondContact OG-CG 3.43Å
420	S	54.3	Low	75	Confident	74 Å²	74	40.8 Å²	40.8	52%	0.517	25%	0.248	S	C	.	.			trans	-47	174.8	-166	59.3	0	0	0	0	115.5	G418 A422 G423	G418-S420 PolarHBondContact O-N 3.47Å; S420-A422 PolarHBondContact O-N 3Å; S420-G423 WeakPolarHBondContact O-CA 3.43Å; S420-G423 PolarHBondContact O-N 3.18Å; S420-G423 PolarHBondContact OG-N 2.82Å
421	A	51.5	Low	75	Confident	107 Å²	107	41.5 Å²	41.5	88%	0.884	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55	-22.1	171.6	0	0	0	0	0	113.5
422	A	59.7	Low	75	Confident	14 Å²	14	46.4 Å²	46.4	12%	0.116	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.4	-21.5	171.9	0	0	0	0	0	113.6	S420 S427 E440	S420-A422 PolarHBondContact O-N 3Å; A422-S427 WeakPolarHBondContact O-CB 3.33Å; A422-E440 HydrophobicContact CB-CB 4.2Å
423	G	72	Confident	74.6	Confident	9 Å²	9	52.3 Å²	52.3	9%	0.093	31%	0.313	C	S	.	.			trans	87.9	-171.3	-179	0	0	0	0	0	114	S420	S420-G423 WeakPolarHBondContact O-CA 3.43Å; S420-G423 PolarHBondContact O-N 3.18Å; S420-G423 PolarHBondContact OG-N 2.82Å
424	L	75.7	Confident	74	Confident	0 Å²	0	51.8 Å²	51.8	0%	0	32%	0.318	C	S	.	.	S	Bend	trans	-70.2	-28.9	170.9	-72.3	165.4	0	0	0	111.3	T414 S419 G442 A443 M444 M460 D464 I468	T414-L424 HydrophobicContact CG2-CD2 3.45Å; T414-L424 VanDerWaalsContact CG2-CD2 3.45Å; S419-L424 WeakPolarHBondContact OG-CD2 3.32Å; S419-L424 VanDerWaalsContact OG-CG 3.24Å; S419-L424 WeakPolarHBondContact OG-CG 3.43Å; L424-G442 CarbonylContact O-C 3.57Å; L424-A443 HydrophobicContact CD2-CB 4.46Å; L424-A443 PolarHBondContact O-N 3.45Å; L424-M444 WeakPolarHBondContact O-CG 3.31Å; L424-M444 PolarHBondContact O-N 3.4Å; L424-M460 HydrophobicContact CD1-CE 3.21Å; L424-M460 HydrophobicContact CD1-CG 4.49Å; L424-M460 HydrophobicContact CD1-SD 3.68Å; L424-D464 HydrophobicContact CD1-CB 4.12Å; L424-I468 HydrophobicContact CD1-CD1 3.71Å; L424-I468 HydrophobicContact CD1-CG1 4.48Å
425	T	74.8	Confident	73.6	Confident	18 Å²	18	59.7 Å²	59.7	11%	0.11	35%	0.346	C	S	.	.	S	Bend	trans	-106.6	179.7	179.8	62.9	0	0	0	0	111.3	G442 A467 I477	T425-G442 WeakPolarHBondContact O-CA 3.41Å; T425-G442 PolarHBondContact O-N 3.41Å; T425-A467 HydrophobicContact CG2-CB 3.37Å; T425-I477 HydrophobicContact CG2-CD1 3.93Å
426	A	76.4	Confident	73.1	Confident	6 Å²	6	62.8 Å²	62.8	5%	0.05	36%	0.36	C	S	.	.			trans	-78.4	140.4	178.7	0	0	0	0	0	111.8	E440 V445 I479 L488	A426-E440 CarbonylContact C-O 3.54Å; A426-E440 WeakPolarHBondContact CA-O 3.38Å; A426-E440 VanDerWaalsContact CB-O 3.3Å; A426-E440 WeakPolarHBondContact CB-O 3.46Å; A426-V445 HydrophobicContact CB-CG2 4.32Å; A426-I479 HydrophobicContact CB-CD1 3.28Å; A426-I479 WeakPolarHBondContact O-CD1 3.41Å; A426-L488 HydrophobicContact CB-CD1 3.39Å
427	S	76.5	Confident	73.2	Confident	35 Å²	35	67.3 Å²	67.3	25%	0.245	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	150.8	178.3	-176.1	0	0	0	0	110.5	A422 M439 E440	A422-S427 WeakPolarHBondContact O-CB 3.33Å; S427-M439 WeakPolarHBondContact O-CA 3.33Å; S427-E440 PolarHBondContact N-O 3.42Å; S427-E440 PolarHBondContact O-N 2.87Å
428	V	79.3	Confident	73.2	Confident	27 Å²	27	62.7 Å²	62.7	16%	0.164	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	105.8	175.5	-175	0	0	0	0	107.8	F437 I438 M439 I479 K481 A482 I484	V428-F437 HydrophobicContact CG1-CB 3.74Å; V428-F437 HydrophobicContact CG1-CD1 4.14Å; V428-F437 HydrophobicContact CG1-CG 4.28Å; V428-I438 CarbonylContact C-O 3.45Å; V428-I438 WeakPolarHBondContact CA-O 3.43Å; V428-M439 HydrophobicContact CG2-CG 4.19Å; V428-M439 HydrophobicContact CG2-SD 4.5Å; V428-I479 HydrophobicContact CG2-CG2 3.66Å; V428-K481 HydrophobicContact CB-CB 4.47Å; V428-K481 HydrophobicContact CG2-CB 4.02Å; V428-A482 HydrophobicContact CG1-CB 4.18Å; V428-I484 HydrophobicContact CG1-CD1 3.98Å
429	T	82.4	Confident	73.7	Confident	42 Å²	42	61.1 Å²	61.1	26%	0.258	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	149.9	177.3	61.9	0	0	0	0	109.6	F437 I438 E440	T429-F437 WeakPolarHBondContact O-CA 3.43Å; T429-I438 PolarHBondContact N-O 2.81Å; T429-I438 WeakPolarHBondContact O-CG1 3.27Å; T429-I438 PolarHBondContact O-N 2.91Å; T429-I438 VanDerWaalsContact O-O 3.1Å; T429-I438 VanDerWaalsContact OG1-CG1 3.27Å; T429-I438 WeakPolarHBondContact OG1-CG1 3.47Å; T429-E440 PolarHBondContact OG1-OE1 3.34Å
430	R	82	Confident	74.5	Confident	156 Å²	156	63 Å²	63	59%	0.589	35%	0.345	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.9	116.2	175.8	-170.1	179.7	-174.3	-173.7	2.6	108.8	P432 R435 F437	R430-P432 WeakPolarHBondContact O-CD 3.34Å; R430-R435 PolarHBondContact NE-O 2.77Å; R430-R435 VanDerWaalsContact NE-O 3.15Å; R430-F437 HydrophobicContact CB-CD1 4.05Å; R430-F437 HydrophobicContact CB-CE1 4.04Å; R430-F437 HydrophobicContact CG-CD1 4.28Å; R430-F437 HydrophobicContact CG-CE1 4.15Å
431	D	79	Confident	75.4	Confident	18 Å²	18	61 Å²	61	10%	0.096	34%	0.335	C	S	.	.	P	Polyproline II helix	trans	-67	122.1	176.2	177.3	4.8	0	0	0	109.4	N433 T434 R435 N436 I438	D431-N433 PolarHBondContact O-N 3.11Å; D431-N433 PolarHBondContact OD1-N 3.28Å; D431-T434 WeakPolarHBondContact CB-OG1 3.08Å; D431-T434 PolarHBondContact OD2-OG1 2.92Å; D431-R435 WeakPolarHBondContact O-CA 3.41Å; D431-R435 PolarHBondContact O-N 3.17Å; D431-N436 PolarHBondContact N-O 3.08Å; D431-I438 HydrophobicContact CB-CD1 4.24Å; D431-I438 HydrophobicContact CB-CG1 4.4Å; D431-I438 HydrophobicContact CB-CG2 4.21Å
432	P	83.3	Confident	76.7	Confident	111 Å²	111	56 Å²	56	72%	0.721	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.2	-27.6	-178.7	25.2	-34.9	0	0	0	113	R430	R430-P432 WeakPolarHBondContact O-CD 3.34Å
433	N	78.2	Confident	77.8	Confident	146 Å²	146	55.9 Å²	55.9	78%	0.781	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.3	-47.8	-174.7	-67.8	-35.9	0	0	0	112.4	D431	D431-N433 PolarHBondContact O-N 3.11Å; D431-N433 PolarHBondContact OD1-N 3.28Å
434	T	76.9	Confident	78.3	Confident	66 Å²	66	55.5 Å²	55.5	41%	0.405	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.9	-15.7	-177.8	57.7	0	0	0	0	112.4	D431 N436	D431-T434 WeakPolarHBondContact CB-OG1 3.08Å; D431-T434 PolarHBondContact OD2-OG1 2.92Å; T434-N436 PolarHBondContact O-N 3.09Å; T434-N436 VanDerWaalsContact O-N 3.09Å; T434-N436 PolarHBondContact O-OD1 3.48Å; T434-N436 PolarHBondContact OG1-N 2.89Å
435	R	77.6	Confident	78.7	Confident	181 Å²	181	55.8 Å²	55.8	68%	0.683	29%	0.29	S	S	*	.			trans	57.7	8.8	-168	-61.5	-179.2	179.7	177	-0.6	114	R430 D431	R430-R435 PolarHBondContact NE-O 2.77Å; R430-R435 VanDerWaalsContact NE-O 3.15Å; D431-R435 WeakPolarHBondContact O-CA 3.41Å; D431-R435 PolarHBondContact O-N 3.17Å
436	N	77.7	Confident	78.9	Confident	99 Å²	99	56.6 Å²	56.6	53%	0.529	29%	0.294	S	S	.	.			trans	-83.6	149	177.5	-67.2	-16.7	0	0	0	109.6	D431 T434	D431-N436 PolarHBondContact N-O 3.08Å; T434-N436 PolarHBondContact O-N 3.09Å; T434-N436 VanDerWaalsContact O-N 3.09Å; T434-N436 PolarHBondContact O-OD1 3.48Å; T434-N436 PolarHBondContact OG1-N 2.89Å
437	F	79.5	Confident	79.1	Confident	96 Å²	96	56.3 Å²	56.3	42%	0.421	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	123.7	171	-63.8	-73.1	0	0	0	108.5	V428 T429 R430 A482 I484	V428-F437 HydrophobicContact CG1-CB 3.74Å; V428-F437 HydrophobicContact CG1-CD1 4.14Å; V428-F437 HydrophobicContact CG1-CG 4.28Å; T429-F437 WeakPolarHBondContact O-CA 3.43Å; R430-F437 HydrophobicContact CB-CD1 4.05Å; R430-F437 HydrophobicContact CB-CE1 4.04Å; R430-F437 HydrophobicContact CG-CD1 4.28Å; R430-F437 HydrophobicContact CG-CE1 4.15Å; F437-A482 HydrophobicContact CB-CB 4.41Å; F437-A482 HydrophobicContact CD1-CB 3.61Å; F437-A482 HydrophobicContact CD2-CB 3.84Å; F437-A482 HydrophobicContact CE1-CB 3.7Å; F437-A482 HydrophobicContact CE2-CB 3.93Å; F437-A482 HydrophobicContact CG-CB 3.67Å; F437-A482 HydrophobicContact CZ-CB 3.87Å; F437-I484 HydrophobicContact CB-CD1 3.69Å
438	I	77.3	Confident	79.2	Confident	32 Å²	32	55.2 Å²	55.2	16%	0.164	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	146.7	172.9	57.3	169.6	0	0	0	108.1	V428 T429 D431	V428-I438 CarbonylContact C-O 3.45Å; V428-I438 WeakPolarHBondContact CA-O 3.43Å; T429-I438 PolarHBondContact N-O 2.81Å; T429-I438 WeakPolarHBondContact O-CG1 3.27Å; T429-I438 PolarHBondContact O-N 2.91Å; T429-I438 VanDerWaalsContact O-O 3.1Å; T429-I438 VanDerWaalsContact OG1-CG1 3.27Å; T429-I438 WeakPolarHBondContact OG1-CG1 3.47Å; D431-I438 HydrophobicContact CB-CD1 4.24Å; D431-I438 HydrophobicContact CB-CG1 4.4Å; D431-I438 HydrophobicContact CB-CG2 4.21Å
439	M	75.3	Confident	79.1	Confident	24 Å²	24	55.2 Å²	55.2	12%	0.118	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	132.2	172.6	-64.6	-151.9	-65.9	0	0	109.4	I151 S427 V428 I484 T486 L488	I151-M439 VanDerWaalsContact O-O 3.11Å; S427-M439 WeakPolarHBondContact O-CA 3.33Å; V428-M439 HydrophobicContact CG2-CG 4.19Å; V428-M439 HydrophobicContact CG2-SD 4.5Å; M439-I484 HydrophobicContact CE-CG2 4.24Å; M439-I484 HydrophobicContact CG-CD1 4.03Å; M439-I484 HydrophobicContact CG-CG2 4.19Å; M439-I484 HydrophobicContact SD-CG2 3.67Å; M439-T486 HydrophobicContact CE-CG2 3.89Å; M439-T486 WeakPolarHBondContact CE-OG1 3.4Å; M439-T486 PolarHBondContact SD-OG1 3.43Å; M439-L488 HydrophobicContact CE-CD2 4.36Å
440	E	74.5	Confident	79.3	Confident	63 Å²	63	53.2 Å²	53.2	29%	0.294	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	123.5	173	-71.2	177.8	-162.5	0	0	108.5	I151 A422 A426 S427 T429	I151-E440 HydrophobicContact CG2-CG 4.37Å; A422-E440 HydrophobicContact CB-CB 4.2Å; A426-E440 CarbonylContact C-O 3.54Å; A426-E440 WeakPolarHBondContact CA-O 3.38Å; A426-E440 VanDerWaalsContact CB-O 3.3Å; A426-E440 WeakPolarHBondContact CB-O 3.46Å; S427-E440 PolarHBondContact N-O 3.42Å; S427-E440 PolarHBondContact O-N 2.87Å; T429-E440 PolarHBondContact OG1-OE1 3.34Å
441	G	73.1	Confident	79.7	Confident	31 Å²	31	45.8 Å²	45.8	32%	0.32	25%	0.248	S	C	.	.			trans	-70.7	128.8	178.4	0	0	0	0	0	112.2
442	G	79.6	Confident	80.3	Confident	1 Å²	1	45 Å²	45	1%	0.01	24%	0.244	C	C	.	.			trans	-76.3	179.9	170.2	0	0	0	0	0	113.5	L424 T425 M444 V445 L446	L424-G442 CarbonylContact O-C 3.57Å; T425-G442 WeakPolarHBondContact O-CA 3.41Å; T425-G442 PolarHBondContact O-N 3.41Å; G442-M444 VanDerWaalsContact C-N 3.27Å; G442-M444 PolarHBondContact O-N 2.77Å; G442-V445 PolarHBondContact O-N 3.3Å; G442-V445 VanDerWaalsContact O-N 3.14Å; G442-L446 WeakPolarHBondContact O-CG 3.26Å; G442-L446 PolarHBondContact O-N 2.69Å
443	A	82.6	Confident	80.8	Confident	12 Å²	12	39.7 Å²	39.7	10%	0.099	21%	0.209	C	C	.	.	H	α-helix	trans	-52.9	-40.7	-178.9	0	0	0	0	0	113.4	I412 L424 V445 L446 A447	I412-A443 HydrophobicContact CG2-CB 4.11Å; L424-A443 HydrophobicContact CD2-CB 4.46Å; L424-A443 PolarHBondContact O-N 3.45Å; A443-V445 PolarHBondContact O-N 2.76Å; A443-L446 PolarHBondContact O-N 3.14Å; A443-A447 WeakPolarHBondContact O-CB 3.29Å; A443-A447 PolarHBondContact O-N 2.96Å
444	M	83.8	Confident	81.5	Confident	1 Å²	1	32.7 Å²	32.7	1%	0.005	17%	0.172	C	C	.	.	H	α-helix	trans	-68.1	-34.7	-178.2	-65.6	-172.2	75.7	0	0	113.6	L424 G442 A447 D448 V452 I468 A471 I477 V494	L424-M444 WeakPolarHBondContact O-CG 3.31Å; L424-M444 PolarHBondContact O-N 3.4Å; G442-M444 VanDerWaalsContact C-N 3.27Å; G442-M444 PolarHBondContact O-N 2.77Å; M444-A447 PolarHBondContact O-N 3.22Å; M444-D448 PolarHBondContact O-N 3.45Å; M444-V452 HydrophobicContact CG-CG2 4.44Å; M444-I468 HydrophobicContact SD-CD1 4.39Å; M444-I468 HydrophobicContact SD-CG1 3.82Å; M444-A471 HydrophobicContact CE-CB 3.45Å; M444-A471 VanDerWaalsContact CE-CB 3.45Å; M444-A471 HydrophobicContact SD-CB 3.96Å; M444-I477 HydrophobicContact CB-CD1 4.25Å; M444-V494 HydrophobicContact CE-CG2 4.23Å
445	V	82.4	Confident	82.1	Confident	6 Å²	6	30.2 Å²	30.2	4%	0.036	16%	0.156	C	C	.	.	H	α-helix	trans	-70.8	-40.6	178.5	-178.5	0	0	0	0	109.7	A426 G442 A443 A447 D448 I477 L488	A426-V445 HydrophobicContact CB-CG2 4.32Å; G442-V445 PolarHBondContact O-N 3.3Å; G442-V445 VanDerWaalsContact O-N 3.14Å; A443-V445 PolarHBondContact O-N 2.76Å; V445-A447 VanDerWaalsContact C-N 3.27Å; V445-A447 PolarHBondContact O-N 2.67Å; V445-D448 PolarHBondContact O-N 3.34Å; V445-I477 HydrophobicContact CG2-CD1 4.12Å; V445-L488 HydrophobicContact CG2-CB 4.26Å; V445-L488 HydrophobicContact CG2-CD1 4.19Å
446	L	78.7	Confident	82.7	Confident	36 Å²	36	24 Å²	24	19%	0.188	14%	0.135	C	C	.	.	H	α-helix	trans	-64.1	-34.4	176.1	-60.3	174.1	0	0	0	111.8	I149 R260 R307 I412 G442 A443 D448	I149-L446 HydrophobicContact CD1-CD2 3.48Å; I149-L446 VanDerWaalsContact CD1-CD2 3.48Å; I149-L446 HydrophobicContact CG2-CD2 4.14Å; R260-L446 PolarHBondContact NH2-O 3.16Å; R307-L446 PolarHBondContact NH1-O 3.12Å; I412-L446 HydrophobicContact CD1-CB 3.44Å; I412-L446 VanDerWaalsContact CD1-CB 3.44Å; G442-L446 WeakPolarHBondContact O-CG 3.26Å; G442-L446 PolarHBondContact O-N 2.69Å; A443-L446 PolarHBondContact O-N 3.14Å; L446-D448 VanDerWaalsContact C-N 3.34Å; L446-D448 PolarHBondContact O-N 2.69Å
447	A	80.7	Confident	83.1	Confident	0 Å²	0	19.4 Å²	19.4	0%	0	11%	0.11	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.3	11.7	-179.4	0	0	0	0	0	115.4	I412 A443 M444 V445 G449 G450 V452 C492	I412-A447 HydrophobicContact CB-CB 4.39Å; I412-A447 HydrophobicContact CD1-CB 3.9Å; I412-A447 HydrophobicContact CG1-CB 4.19Å; A443-A447 WeakPolarHBondContact O-CB 3.29Å; A443-A447 PolarHBondContact O-N 2.96Å; M444-A447 PolarHBondContact O-N 3.22Å; V445-A447 VanDerWaalsContact C-N 3.27Å; V445-A447 PolarHBondContact O-N 2.67Å; A447-G449 PolarHBondContact O-N 3.2Å; A447-G450 WeakPolarHBondContact O-CA 3.36Å; A447-G450 PolarHBondContact O-N 2.91Å; A447-V452 HydrophobicContact CB-CG2 3.24Å; A447-C492 HydrophobicContact CB-CB 4.35Å; A447-C492 WeakPolarHBondContact O-CB 3.41Å
448	D	79.9	Confident	83.4	Confident	12 Å²	12	16.6 Å²	16.6	6%	0.064	10%	0.1	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.3	138.6	179	169.6	60.4	0	0	0	112.9	R307 M444 V445 L446 G450 R491	R307-D448 WeakPolarHBondContact CD-O 3.45Å; R307-D448 IonicContact CZ-OD2 3.58Å; R307-D448 PolarHBondContact NE-O 3.1Å; R307-D448 VanDerWaalsContact NE-O 3.08Å; R307-D448 IonicContact NE-OD2 2.62Å; R307-D448 VanDerWaalsContact NH1-C 3.35Å; R307-D448 PolarHBondContact NH1-O 3.42Å; R307-D448 VanDerWaalsContact NH2-CB 3.31Å; R307-D448 IonicContact NH2-OD2 3.49Å; R307-D448 PolarHBondContact NH2-OD2 3.46Å; M444-D448 PolarHBondContact O-N 3.45Å; V445-D448 PolarHBondContact O-N 3.34Å; L446-D448 VanDerWaalsContact C-N 3.34Å; L446-D448 PolarHBondContact O-N 2.69Å; D448-G450 PolarHBondContact O-N 2.98Å; D448-R491 WeakPolarHBondContact OD1-CA 3.34Å; D448-R491 WeakPolarHBondContact OD1-CB 3.2Å; D448-R491 VanDerWaalsContact OD1-CG 3.26Å; D448-R491 WeakPolarHBondContact OD1-CG 3.07Å; D448-R491 IonicContact OD1-CZ 2.78Å; D448-R491 PolarHBondContact OD1-N 3.47Å; D448-R491 IonicContact OD1-NE 3.53Å; D448-R491 PolarHBondContact OD1-NE 2.76Å; D448-R491 IonicContact OD1-NH2 2.64Å; D448-R491 IonicContact OD2-CZ 3.28Å; D448-R491 IonicContact OD2-NE 2.8Å; D448-R491 IonicContact OD2-NH2 3.18Å; D448-R491 PolarHBondContact OD2-NH2 3.28Å
449	G	77.7	Confident	83.7	Confident	26 Å²	26	18.8 Å²	18.8	27%	0.268	11%	0.108	S	C	.	.	T	Hydrogen-bonded Turn	trans	65	0.1	-171.3	0	0	0	0	0	116.4	A447 R491 R583	A447-G449 PolarHBondContact O-N 3.2Å; G449-R491 VanDerWaalsContact CA-O 3.24Å; G449-R491 WeakPolarHBondContact CA-O 3.48Å; G449-R491 PolarHBondContact N-O 3.47Å; G449-R583 PolarHBondContact O-NH1 2.82Å
450	G	86	Confident	84.1	Confident	1 Å²	1	18.2 Å²	18.2	1%	0.01	11%	0.105	C	C	.	.	S	Bend	trans	-112.1	-152.7	-177.9	0	0	0	0	0	113.7	V410 A447 D448 S493	V410-G450 CarbonylContact O-C 3.49Å; V410-G450 VanDerWaalsContact O-CA 3.23Å; V410-G450 WeakPolarHBondContact O-CA 3.48Å; A447-G450 WeakPolarHBondContact O-CA 3.36Å; A447-G450 PolarHBondContact O-N 2.91Å; D448-G450 PolarHBondContact O-N 2.98Å; G450-S493 PolarHBondContact O-N 2.97Å
451	V	90.9	Very high	84.5	Confident	0 Å²	0	23.7 Å²	23.7	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	131.1	177	-179.9	0	0	0	0	109.6	L366 L367 V404 V410 G411 I412 S493 L495	L366-V451 HydrophobicContact CD2-CB 4.27Å; L366-V451 HydrophobicContact CD2-CG1 3.63Å; L366-V451 HydrophobicContact CD2-CG2 3.57Å; L367-V451 HydrophobicContact CD2-CG2 4.34Å; V404-V451 HydrophobicContact CG1-CG1 3.97Å; V410-V451 PolarHBondContact O-N 2.88Å; G411-V451 WeakPolarHBondContact CA-O 3.17Å; I412-V451 PolarHBondContact N-O 2.83Å; I412-V451 VanDerWaalsContact N-O 3.09Å; V451-S493 CarbonylContact C-O 3.6Å; V451-S493 WeakPolarHBondContact CA-O 3.38Å; V451-L495 HydrophobicContact CG1-CB 4.31Å
452	V	91.5	Very high	85	Confident	0 Å²	0	29.6 Å²	29.6	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	121.3	169.9	-178.5	0	0	0	0	108.1	T414 M444 A447 I454 C492 S493 L495	T414-V452 HydrophobicContact CG2-CG1 4.25Å; M444-V452 HydrophobicContact CG-CG2 4.44Å; A447-V452 HydrophobicContact CB-CG2 3.24Å; V452-I454 HydrophobicContact CG1-CD1 4.25Å; V452-I454 HydrophobicContact CG1-CG1 3.78Å; V452-C492 HydrophobicContact CG2-CB 4.01Å; V452-S493 PolarHBondContact N-O 2.82Å; V452-L495 PolarHBondContact O-N 2.72Å
453	C	93.2	Very high	85	Confident	0 Å²	0	36 Å²	36	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	115.7	174.6	-65.2	0	0	0	0	108.9	L401 I412 Y413 T414 L495	L401-C453 HydrophobicContact CB-CB 4.15Å; L401-C453 HydrophobicContact CD2-CB 4.05Å; I412-C453 PolarHBondContact O-N 3.3Å; Y413-C453 WeakPolarHBondContact CA-O 3.39Å; Y413-C453 HydrophobicContact CD2-CB 4.11Å; T414-C453 PolarHBondContact N-O 3.06Å; C453-L495 CarbonylContact C-O 3.57Å; C453-L495 WeakPolarHBondContact CA-O 3.49Å
454	I	91.7	Very high	85	Confident	0 Å²	0	36.5 Å²	36.5	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	118.6	179.8	-50.7	-180	0	0	0	109	T414 V452 F457 M460 I468 V494 L495 A496 A497	T414-I454 HydrophobicContact CG2-CB 4.32Å; T414-I454 HydrophobicContact CG2-CG1 3.81Å; T414-I454 HydrophobicContact CG2-CG2 4.36Å; T414-I454 WeakPolarHBondContact O-CA 3.31Å; V452-I454 HydrophobicContact CG1-CD1 4.25Å; V452-I454 HydrophobicContact CG1-CG1 3.78Å; I454-F457 HydrophobicContact CD1-CD2 4.4Å; I454-F457 HydrophobicContact CG2-CB 4.48Å; I454-F457 HydrophobicContact CG2-CD2 4.08Å; I454-M460 HydrophobicContact CG2-SD 4.34Å; I454-I468 HydrophobicContact CD1-CD1 3.72Å; I454-V494 HydrophobicContact CD1-CG1 4.04Å; I454-L495 PolarHBondContact N-O 2.86Å; I454-A496 CarbonylContact O-C 3.6Å; I454-A496 WeakPolarHBondContact O-CA 3.5Å; I454-A497 PolarHBondContact O-N 3.3Å
455	D	91.3	Very high	84.9	Confident	13 Å²	13	38.3 Å²	38.3	7%	0.07	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	153.7	169.7	-152.5	-13.4	0	0	0	110.7	S398 L401 Y413 T414 G416 F457	S398-D455 WeakPolarHBondContact CB-OD2 2.94Å; S398-D455 PolarHBondContact OG-OD2 3.49Å; L401-D455 HydrophobicContact CD1-CB 3.83Å; Y413-D455 HydrophobicContact CE2-CB 3.95Å; Y413-D455 WeakPolarHBondContact OH-CB 3.46Å; Y413-D455 PolarHBondContact OH-OD2 2.88Å; T414-D455 PolarHBondContact O-N 3Å; G416-D455 PolarHBondContact N-O 3.01Å; D455-F457 PolarHBondContact O-N 3.34Å
456	E	88.5	Confident	85	Confident	51 Å²	51	42.6 Å²	42.6	24%	0.238	21%	0.21	C	C	.	.			trans	51.4	50.1	-177.9	-52.5	-165.6	133.2	0	0	113.8	D458 K459 A497	E456-D458 VanDerWaalsContact C-OD1 3.28Å; E456-D458 WeakPolarHBondContact CA-OD1 3.42Å; E456-D458 PolarHBondContact O-N 3.1Å; E456-K459 HydrophobicContact CB-CB 4.16Å; E456-K459 HydrophobicContact CB-CD 4.11Å; E456-K459 HydrophobicContact CG-CD 4.41Å; E456-K459 PolarHBondContact O-N 3.37Å; E456-K459 IonicContact OE1-NZ 3.58Å; E456-K459 PolarHBondContact OE1-NZ 3.13Å; E456-K459 WeakPolarHBondContact OE2-CD 2.9Å; E456-K459 IonicContact OE2-NZ 4Å; E456-A497 PolarHBondContact N-O 3.06Å
457	F	87.8	Confident	85.2	Confident	3 Å²	3	41.8 Å²	41.8	1%	0.013	21%	0.209	C	C	.	.	G	3₁₀ helix	trans	-61.8	-26	-178.3	-174.1	-106.2	0	0	0	113.3	L388 I454 D455 K459 M460 I468 A496 A497 A498 F516 I520 F524	L388-F457 HydrophobicContact CD1-CD1 4.43Å; I454-F457 HydrophobicContact CD1-CD2 4.4Å; I454-F457 HydrophobicContact CG2-CB 4.48Å; I454-F457 HydrophobicContact CG2-CD2 4.08Å; D455-F457 PolarHBondContact O-N 3.34Å; F457-K459 VanDerWaalsContact C-N 3.29Å; F457-K459 PolarHBondContact O-N 3.08Å; F457-M460 HydrophobicContact CD2-CG 4.47Å; F457-M460 HydrophobicContact CD2-SD 3.36Å; F457-M460 WeakPolarHBondContact CD2-SD 3.24Å; F457-M460 HydrophobicContact CE2-CE 4.48Å; F457-M460 HydrophobicContact CE2-SD 3.5Å; F457-M460 WeakPolarHBondContact CE2-SD 3.47Å; F457-M460 HydrophobicContact CG-SD 4.32Å; F457-I468 HydrophobicContact CE2-CD1 4.2Å; F457-A496 HydrophobicContact CB-CB 4.2Å; F457-A496 HydrophobicContact CD2-CB 4.19Å; F457-A496 HydrophobicContact CG-CB 4.07Å; F457-A497 WeakPolarHBondContact CB-O 3.34Å; F457-A497 PolarHBondContact N-O 2.95Å; F457-A498 HydrophobicContact CB-CB 4.3Å; F457-F516 HydrophobicContact CD1-CD1 4.23Å; F457-F516 AromaticContact CD1-CE1 3.4Å; F457-F516 HydrophobicContact CD1-CE1 3.4Å; F457-F516 VanDerWaalsContact CD1-CE1 3.4Å; F457-F516 HydrophobicContact CD1-CE2 4.35Å; F457-F516 AromaticContact CD1-CZ 3.51Å; F457-F516 HydrophobicContact CD1-CZ 3.51Å; F457-F516 HydrophobicContact CE1-CD1 4.08Å; F457-F516 AromaticContact CE1-CE1 3.68Å; F457-F516 HydrophobicContact CE1-CE1 3.68Å; F457-F516 HydrophobicContact CE1-CZ 4.18Å; F457-F516 HydrophobicContact CG-CE1 4.46Å; F457-F516 HydrophobicContact CG-CZ 4.48Å; F457-I520 HydrophobicContact CE1-CG2 3.9Å; F457-I520 HydrophobicContact CZ-CG2 4.14Å; F457-F524 HydrophobicContact CE1-CE2 4.14Å; F457-F524 HydrophobicContact CE1-CZ 4.25Å; F457-F524 HydrophobicContact CZ-CE2 4.33Å; F457-F524 HydrophobicContact CZ-CZ 4.19Å
458	D	86	Confident	85.5	Confident	36 Å²	36	42 Å²	42	19%	0.193	21%	0.21	C	C	.	.	G	3₁₀ helix	trans	-62.6	-34	173.2	59	-50.4	0	0	0	112.7	E456 M460 F516	E456-D458 VanDerWaalsContact C-OD1 3.28Å; E456-D458 WeakPolarHBondContact CA-OD1 3.42Å; E456-D458 PolarHBondContact O-N 3.1Å; D458-M460 VanDerWaalsContact C-N 3.31Å; D458-M460 PolarHBondContact O-N 2.99Å; D458-F516 HydrophobicContact CB-CZ 4.05Å
459	K	83.6	Confident	85.8	Confident	78 Å²	78	42.5 Å²	42.5	34%	0.339	21%	0.212	S	C	.	.	G	3₁₀ helix	trans	-88.6	8.6	-172.6	-77.8	179.9	-166.4	170.7	0	114.4	K417 E456 F457	K417-K459 HydrophobicContact CD-CB 3.85Å; K417-K459 HydrophobicContact CD-CD 3.97Å; K417-K459 HydrophobicContact CD-CG 4.31Å; K417-K459 HydrophobicContact CG-CB 3.78Å; K417-K459 WeakPolarHBondContact CG-O 3.38Å; E456-K459 HydrophobicContact CB-CB 4.16Å; E456-K459 HydrophobicContact CB-CD 4.11Å; E456-K459 HydrophobicContact CG-CD 4.41Å; E456-K459 PolarHBondContact O-N 3.37Å; E456-K459 IonicContact OE1-NZ 3.58Å; E456-K459 PolarHBondContact OE1-NZ 3.13Å; E456-K459 WeakPolarHBondContact OE2-CD 2.9Å; E456-K459 IonicContact OE2-NZ 4Å; F457-K459 VanDerWaalsContact C-N 3.29Å; F457-K459 PolarHBondContact O-N 3.08Å
460	M	83.2	Confident	86.2	Confident	13 Å²	13	43.7 Å²	43.7	6%	0.064	21%	0.211	C	C	.	.			trans	-69.1	151.1	-179.7	-79.2	-170.4	47.7	0	0	113.9	G416 L424 I454 F457 D458 D464 I468	G416-M460 VanDerWaalsContact CA-CG 3.41Å; L424-M460 HydrophobicContact CD1-CE 3.21Å; L424-M460 HydrophobicContact CD1-CG 4.49Å; L424-M460 HydrophobicContact CD1-SD 3.68Å; I454-M460 HydrophobicContact CG2-SD 4.34Å; F457-M460 HydrophobicContact CD2-CG 4.47Å; F457-M460 HydrophobicContact CD2-SD 3.36Å; F457-M460 WeakPolarHBondContact CD2-SD 3.24Å; F457-M460 HydrophobicContact CE2-CE 4.48Å; F457-M460 HydrophobicContact CE2-SD 3.5Å; F457-M460 WeakPolarHBondContact CE2-SD 3.47Å; F457-M460 HydrophobicContact CG-SD 4.32Å; D458-M460 VanDerWaalsContact C-N 3.31Å; D458-M460 PolarHBondContact O-N 2.99Å; M460-D464 HydrophobicContact CE-CB 3.62Å; M460-I468 HydrophobicContact CE-CD1 3.62Å; M460-I468 HydrophobicContact CE-CG1 4.32Å; M460-I468 HydrophobicContact SD-CD1 4.04Å
461	R	82.9	Confident	86.3	Confident	177 Å²	177	43.8 Å²	43.8	67%	0.668	21%	0.211	S	C	*	.			trans	-68.4	150.6	170	-61.7	-178.1	-177	-170.8	3.1	110.8	D463 D464 R465	R461-D463 PolarHBondContact O-N 3.29Å; R461-D464 PolarHBondContact O-N 2.92Å; R461-R465 PolarHBondContact O-N 3.3Å; R461-R465 VanDerWaalsContact O-N 3.11Å
462	E	82.9	Confident	86.2	Confident	155 Å²	155	44.1 Å²	44.1	72%	0.724	21%	0.212	S	C	*	.	H	α-helix	trans	-65.5	-37.7	-179.3	-166.6	170.4	-175.9	0	0	112.6	D464 R465 V466	E462-D464 PolarHBondContact O-N 3.17Å; E462-R465 VanDerWaalsContact O-CB 3.31Å; E462-R465 WeakPolarHBondContact O-CB 3.46Å; E462-R465 PolarHBondContact O-N 2.91Å; E462-R465 VanDerWaalsContact O-N 3.12Å; E462-V466 PolarHBondContact O-N 3.33Å
463	D	80.3	Confident	85.8	Confident	137 Å²	137	48.1 Å²	48.1	73%	0.733	23%	0.231	S	C	*	.	H	α-helix	trans	-58.8	-45.8	176.6	-63.9	-21.9	0	0	0	112.2	R461 R465 V466 A467	R461-D463 PolarHBondContact O-N 3.29Å; D463-R465 VanDerWaalsContact C-N 3.31Å; D463-R465 PolarHBondContact O-N 2.74Å; D463-V466 PolarHBondContact O-N 2.77Å; D463-A467 PolarHBondContact O-N 2.98Å
464	D	82.7	Confident	85.4	Confident	22 Å²	22	53.9 Å²	53.9	12%	0.118	26%	0.258	C	S	.	.	H	α-helix	trans	-68.3	-33.2	177.6	-71.6	-51.1	0	0	0	111.4	L424 M460 R461 E462 A467 I468	L424-D464 HydrophobicContact CD1-CB 4.12Å; M460-D464 HydrophobicContact CE-CB 3.62Å; R461-D464 PolarHBondContact O-N 2.92Å; E462-D464 PolarHBondContact O-N 3.17Å; D464-A467 PolarHBondContact O-N 2.9Å; D464-I468 WeakPolarHBondContact O-CG1 3.4Å; D464-I468 PolarHBondContact O-N 3.44Å
465	R	81.7	Confident	85.2	Confident	38 Å²	38	54.8 Å²	54.8	14%	0.143	26%	0.263	C	S	.	.	H	α-helix	trans	-62	-45.5	176.1	-171.9	-177	-73.1	-142.9	2.5	111	R461 E462 D463 A467 H469 D515 I520	R461-R465 PolarHBondContact O-N 3.3Å; R461-R465 VanDerWaalsContact O-N 3.11Å; E462-R465 VanDerWaalsContact O-CB 3.31Å; E462-R465 WeakPolarHBondContact O-CB 3.46Å; E462-R465 PolarHBondContact O-N 2.91Å; E462-R465 VanDerWaalsContact O-N 3.12Å; D463-R465 VanDerWaalsContact C-N 3.31Å; D463-R465 PolarHBondContact O-N 2.74Å; R465-A467 VanDerWaalsContact C-N 3.32Å; R465-A467 PolarHBondContact O-N 2.88Å; R465-H469 WeakPolarHBondContact O-CB 3.32Å; R465-H469 PolarHBondContact O-CD2 3.14Å; R465-H469 PolarHBondContact O-N 3.14Å; R465-H469 VanDerWaalsContact O-N 3.08Å; R465-D515 PolarHBondContact NH1-O 3.42Å; R465-I520 HydrophobicContact CG-CD1 3.69Å
466	V	83.8	Confident	85	Confident	96 Å²	96	55.9 Å²	55.9	58%	0.582	27%	0.269	S	S	*	.	H	α-helix	trans	-64	-36.6	176.4	177.6	0	0	0	0	112	E462 D463 H469 E470	E462-V466 PolarHBondContact O-N 3.33Å; D463-V466 PolarHBondContact O-N 2.77Å; V466-H469 WeakPolarHBondContact O-CB 3.1Å; V466-H469 PolarHBondContact O-N 2.88Å; V466-E470 PolarHBondContact O-N 3.02Å
467	A	83.1	Confident	84.9	Confident	19 Å²	19	53.7 Å²	53.7	16%	0.157	26%	0.259	C	S	.	.	H	α-helix	trans	-75.7	-38.5	-179.4	0	0	0	0	0	112.4	T425 D463 D464 R465 H469 E470 A471	T425-A467 HydrophobicContact CG2-CB 3.37Å; D463-A467 PolarHBondContact O-N 2.98Å; D464-A467 PolarHBondContact O-N 2.9Å; R465-A467 VanDerWaalsContact C-N 3.32Å; R465-A467 PolarHBondContact O-N 2.88Å; A467-H469 PolarHBondContact O-N 3.08Å; A467-E470 PolarHBondContact O-N 3.3Å; A467-A471 WeakPolarHBondContact O-CB 3.08Å; A467-A471 PolarHBondContact O-N 3.33Å
468	I	86.6	Confident	84.8	Confident	4 Å²	4	56.5 Å²	56.5	2%	0.021	28%	0.279	C	S	.	.	H	α-helix	trans	-60.9	-37.7	171.6	-75.6	-164.8	0	0	0	111.2	L424 M444 I454 F457 M460 D464 E470 A471 M472	L424-I468 HydrophobicContact CD1-CD1 3.71Å; L424-I468 HydrophobicContact CD1-CG1 4.48Å; M444-I468 HydrophobicContact SD-CD1 4.39Å; M444-I468 HydrophobicContact SD-CG1 3.82Å; I454-I468 HydrophobicContact CD1-CD1 3.72Å; F457-I468 HydrophobicContact CE2-CD1 4.2Å; M460-I468 HydrophobicContact CE-CD1 3.62Å; M460-I468 HydrophobicContact CE-CG1 4.32Å; M460-I468 HydrophobicContact SD-CD1 4.04Å; D464-I468 WeakPolarHBondContact O-CG1 3.4Å; D464-I468 PolarHBondContact O-N 3.44Å; I468-E470 PolarHBondContact O-N 3.47Å; I468-A471 PolarHBondContact O-N 2.99Å; I468-M472 HydrophobicContact CG2-CG 3.85Å; I468-M472 HydrophobicContact CG2-SD 3.42Å; I468-M472 WeakPolarHBondContact CG2-SD 3.46Å; I468-M472 WeakPolarHBondContact O-CB 3.47Å; I468-M472 WeakPolarHBondContact O-CG 3.48Å; I468-M472 PolarHBondContact O-N 3.46Å
469	H	85.8	Confident	84.7	Confident	24 Å²	24	55.3 Å²	55.3	11%	0.111	27%	0.273	C	S	.	.	H	α-helix	trans	-51.7	-56.7	174.8	-94.2	-62.8	0	0	0	110.9	R465 V466 A467 A471 E473 I520 R523	R465-H469 WeakPolarHBondContact O-CB 3.32Å; R465-H469 PolarHBondContact O-CD2 3.14Å; R465-H469 PolarHBondContact O-N 3.14Å; R465-H469 VanDerWaalsContact O-N 3.08Å; V466-H469 WeakPolarHBondContact O-CB 3.1Å; V466-H469 PolarHBondContact O-N 2.88Å; A467-H469 PolarHBondContact O-N 3.08Å; H469-A471 PolarHBondContact O-N 3.49Å; H469-E473 PolarHBondContact O-N 2.74Å; H469-I520 WeakPolarHBondContact CE1-CG1 3.41Å; H469-I520 WeakPolarHBondContact NE2-CG1 3.01Å; H469-R523 VanDerWaalsContact ND1-CZ 3.29Å; H469-R523 PolarHBondContact ND1-NH1 3.31Å; H469-R523 PolarHBondContact O-NH1 2.99Å
470	E	86.9	Confident	84.8	Confident	51 Å²	51	55.6 Å²	55.6	24%	0.238	29%	0.29	C	S	.	.	H	α-helix	trans	-58.5	-47.8	177.2	-172.4	-175.1	153.4	0	0	111.5	V466 A467 I468 M472 E473 Q474 S478	V466-E470 PolarHBondContact O-N 3.02Å; A467-E470 PolarHBondContact O-N 3.3Å; I468-E470 PolarHBondContact O-N 3.47Å; E470-M472 PolarHBondContact O-N 2.66Å; E470-E473 PolarHBondContact O-N 2.71Å; E470-E473 VanDerWaalsContact O-N 3.1Å; E470-Q474 PolarHBondContact O-N 3.36Å; E470-S478 WeakPolarHBondContact OE1-CB 3.22Å; E470-S478 PolarHBondContact OE1-N 3.23Å; E470-S478 PolarHBondContact OE1-OG 3.09Å; E470-S478 PolarHBondContact OE2-OG 3.41Å
471	A	87.6	Confident	84.8	Confident	2 Å²	2	61.4 Å²	61.4	2%	0.017	32%	0.315	C	S	.	.	H	α-helix	trans	-61	-39.6	-176.8	0	0	0	0	0	113.6	M444 A467 I468 H469 E473 Q475 I477	M444-A471 HydrophobicContact CE-CB 3.45Å; M444-A471 VanDerWaalsContact CE-CB 3.45Å; M444-A471 HydrophobicContact SD-CB 3.96Å; A467-A471 WeakPolarHBondContact O-CB 3.08Å; A467-A471 PolarHBondContact O-N 3.33Å; I468-A471 PolarHBondContact O-N 2.99Å; H469-A471 PolarHBondContact O-N 3.49Å; A471-E473 VanDerWaalsContact C-N 3.3Å; A471-E473 PolarHBondContact O-N 3.41Å; A471-Q475 WeakPolarHBondContact O-CA 3.29Å; A471-Q475 PolarHBondContact O-N 2.78Å; A471-I477 HydrophobicContact CB-CD1 4.24Å; A471-I477 HydrophobicContact CB-CG1 3.8Å
472	M	88.6	Confident	84.7	Confident	7 Å²	7	55.5 Å²	55.5	3%	0.034	30%	0.304	C	S	.	.	H	α-helix	trans	-71.7	-24.7	178.1	-72.5	174.7	74	0	0	112.9	R382 N386 I468 E470 V494 R523 F524	R382-M472 WeakPolarHBondContact CD-O 3.47Å; R382-M472 PolarHBondContact NH1-O 3.18Å; N386-M472 HydrophobicContact CB-CE 4.07Å; N386-M472 WeakPolarHBondContact ND2-CE 3.46Å; I468-M472 HydrophobicContact CG2-CG 3.85Å; I468-M472 HydrophobicContact CG2-SD 3.42Å; I468-M472 WeakPolarHBondContact CG2-SD 3.46Å; I468-M472 WeakPolarHBondContact O-CB 3.47Å; I468-M472 WeakPolarHBondContact O-CG 3.48Å; I468-M472 PolarHBondContact O-N 3.46Å; E470-M472 PolarHBondContact O-N 2.66Å; M472-V494 HydrophobicContact CG-CG2 4.14Å; M472-R523 HydrophobicContact CE-CB 3.8Å; M472-F524 HydrophobicContact CE-CD1 3.77Å; M472-F524 HydrophobicContact CE-CD2 4.06Å; M472-F524 HydrophobicContact CE-CE1 3.56Å; M472-F524 HydrophobicContact CE-CE2 3.87Å; M472-F524 HydrophobicContact CE-CG 4.02Å; M472-F524 HydrophobicContact CE-CZ 3.61Å; M472-F524 HydrophobicContact SD-CZ 4.26Å
473	E	83.6	Confident	84.5	Confident	85 Å²	85	52 Å²	52	40%	0.397	31%	0.309	S	S	.	.	H	α-helix	trans	-87.5	-59.7	-178.8	-171.1	64	-163.3	0	0	111.6	H469 E470 A471 R627	H469-E473 PolarHBondContact O-N 2.74Å; E470-E473 PolarHBondContact O-N 2.71Å; E470-E473 VanDerWaalsContact O-N 3.1Å; A471-E473 VanDerWaalsContact C-N 3.3Å; A471-E473 PolarHBondContact O-N 3.41Å; E473-R627 IonicContact OE1-NH1 3.99Å; E473-R627 IonicContact OE2-CZ 2.71Å; E473-R627 IonicContact OE2-NH1 3.03Å; E473-R627 PolarHBondContact OE2-NH1 2.81Å; E473-R627 IonicContact OE2-NH2 3.64Å; E473-R627 PolarHBondContact OE2-NH2 3.35Å
474	Q	85.8	Confident	84.4	Confident	121 Å²	121	47.2 Å²	47.2	57%	0.565	28%	0.283	S	S	*	.	H	α-helix	trans	-91.4	-13.4	-170.1	-63.2	180	-13.9	0	0	111.9	E470 T476	E470-Q474 PolarHBondContact O-N 3.36Å; Q474-T476 WeakPolarHBondContact CB-OG1 3.47Å; Q474-T476 PolarHBondContact O-N 3.48Å
475	Q	87	Confident	84.5	Confident	19 Å²	19	51.9 Å²	51.9	9%	0.089	31%	0.313	C	S	.	.	S	Bend	trans	58.9	22.4	-171.6	-48.2	-159.7	-69.6	0	0	113.1	R382 D384 A471 S490 R491	R382-Q475 HydrophobicContact CB-CG 4.48Å; R382-Q475 HydrophobicContact CG-CG 4.24Å; D384-Q475 PolarHBondContact OD2-NE2 2.78Å; A471-Q475 WeakPolarHBondContact O-CA 3.29Å; A471-Q475 PolarHBondContact O-N 2.78Å; Q475-S490 CarbonylContact O-C 3.46Å; Q475-S490 PolarHBondContact O-N 3.44Å; Q475-S490 PolarHBondContact O-OG 2.9Å; Q475-R491 HydrophobicContact CB-CB 4.4Å; Q475-R491 HydrophobicContact CB-CG 4.28Å
476	T	87	Confident	84.4	Confident	35 Å²	35	52.4 Å²	52.4	22%	0.215	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	150.6	176.6	57.1	0	0	0	0	109.3	Q474 L488	Q474-T476 WeakPolarHBondContact CB-OG1 3.47Å; Q474-T476 PolarHBondContact O-N 3.48Å; T476-L488 CarbonylContact C-O 3.58Å; T476-L488 VanDerWaalsContact CA-O 3.31Å; T476-L488 WeakPolarHBondContact CA-O 3.38Å
477	I	85.5	Confident	84.4	Confident	5 Å²	5	52.5 Å²	52.5	3%	0.026	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	113.3	173.3	-62.7	167.9	0	0	0	106.5	T425 M444 V445 A471 I479 T487 L488	T425-I477 HydrophobicContact CG2-CD1 3.93Å; M444-I477 HydrophobicContact CB-CD1 4.25Å; V445-I477 HydrophobicContact CG2-CD1 4.12Å; A471-I477 HydrophobicContact CB-CD1 4.24Å; A471-I477 HydrophobicContact CB-CG1 3.8Å; I477-I479 HydrophobicContact CG2-CD1 4.46Å; I477-I479 HydrophobicContact CG2-CG1 4.13Å; I477-T487 WeakPolarHBondContact O-CA 3.43Å; I477-L488 PolarHBondContact N-O 2.97Å; I477-L488 PolarHBondContact O-N 3.17Å
478	S	85.7	Confident	84.3	Confident	62 Å²	62	52.4 Å²	52.4	43%	0.434	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	128.2	172.6	65.5	0	0	0	0	110.5	E470	E470-S478 WeakPolarHBondContact OE1-CB 3.22Å; E470-S478 PolarHBondContact OE1-N 3.23Å; E470-S478 PolarHBondContact OE1-OG 3.09Å; E470-S478 PolarHBondContact OE2-OG 3.41Å
479	I	83.7	Confident	84.1	Confident	12 Å²	12	56.4 Å²	56.4	6%	0.062	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	116.6	174.5	-62.8	179.2	0	0	0	107.6	A426 V428 I477 K481 T485 T486 L488	A426-I479 HydrophobicContact CB-CD1 3.28Å; A426-I479 WeakPolarHBondContact O-CD1 3.41Å; V428-I479 HydrophobicContact CG2-CG2 3.66Å; I477-I479 HydrophobicContact CG2-CD1 4.46Å; I477-I479 HydrophobicContact CG2-CG1 4.13Å; I479-K481 HydrophobicContact CG2-CB 4.09Å; I479-K481 HydrophobicContact CG2-CG 4.24Å; I479-T485 CarbonylContact O-C 3.5Å; I479-T485 VanDerWaalsContact O-CA 3.3Å; I479-T485 WeakPolarHBondContact O-CA 3.32Å; I479-T486 PolarHBondContact N-O 3.32Å; I479-T486 PolarHBondContact O-N 3.43Å; I479-L488 HydrophobicContact CD1-CD1 4.28Å
480	A	85.6	Confident	83.9	Confident	83 Å²	83	55.3 Å²	55.3	69%	0.686	33%	0.334	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-119.7	71.1	172.3	0	0	0	0	0	108.9	I484 T485	A480-I484 WeakPolarHBondContact CA-O 3.33Å; A480-T485 HydrophobicContact CB-CG2 4.21Å
481	K	83.1	Confident	83.9	Confident	135 Å²	135	54.6 Å²	54.6	59%	0.587	33%	0.33	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-130.5	142.4	-177.2	-68.2	-176.2	-178.5	176.2	0	110.7	V428 I479 G483 I484	V428-K481 HydrophobicContact CB-CB 4.47Å; V428-K481 HydrophobicContact CG2-CB 4.02Å; I479-K481 HydrophobicContact CG2-CB 4.09Å; I479-K481 HydrophobicContact CG2-CG 4.24Å; K481-G483 PolarHBondContact O-N 3.35Å; K481-G483 VanDerWaalsContact O-N 3.11Å; K481-I484 PolarHBondContact N-O 2.95Å; K481-I484 VanDerWaalsContact N-O 3.07Å; K481-I484 PolarHBondContact O-N 2.91Å
482	A	81.3	Confident	83.9	Confident	54 Å²	54	54.8 Å²	54.8	45%	0.446	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.6	32	174.8	0	0	0	0	0	115.5	V428 F437 I484	V428-A482 HydrophobicContact CG1-CB 4.18Å; F437-A482 HydrophobicContact CB-CB 4.41Å; F437-A482 HydrophobicContact CD1-CB 3.61Å; F437-A482 HydrophobicContact CD2-CB 3.84Å; F437-A482 HydrophobicContact CE1-CB 3.7Å; F437-A482 HydrophobicContact CE2-CB 3.93Å; F437-A482 HydrophobicContact CG-CB 3.67Å; F437-A482 HydrophobicContact CZ-CB 3.87Å; A482-I484 VanDerWaalsContact C-N 3.27Å; A482-I484 PolarHBondContact O-N 2.93Å
483	G	78.3	Confident	84	Confident	81 Å²	81	54.5 Å²	54.5	84%	0.835	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.8	1.5	-177.9	0	0	0	0	0	114.7	K481	K481-G483 PolarHBondContact O-N 3.35Å; K481-G483 VanDerWaalsContact O-N 3.11Å
484	I	78	Confident	84.4	Confident	37 Å²	37	50.5 Å²	50.5	19%	0.19	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	116	171.2	-57	175.2	0	0	0	107.7	V428 F437 M439 A480 K481 A482 T486	V428-I484 HydrophobicContact CG1-CD1 3.98Å; F437-I484 HydrophobicContact CB-CD1 3.69Å; M439-I484 HydrophobicContact CE-CG2 4.24Å; M439-I484 HydrophobicContact CG-CD1 4.03Å; M439-I484 HydrophobicContact CG-CG2 4.19Å; M439-I484 HydrophobicContact SD-CG2 3.67Å; A480-I484 WeakPolarHBondContact CA-O 3.33Å; K481-I484 PolarHBondContact N-O 2.95Å; K481-I484 VanDerWaalsContact N-O 3.07Å; K481-I484 PolarHBondContact O-N 2.91Å; A482-I484 VanDerWaalsContact C-N 3.27Å; A482-I484 PolarHBondContact O-N 2.93Å; I484-T486 HydrophobicContact CG2-CG2 3.63Å
485	T	85.6	Confident	84.9	Confident	120 Å²	120	44.8 Å²	44.8	74%	0.736	28%	0.284	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-113	96.6	171.9	54.8	0	0	0	0	108.7	I479 A480	I479-T485 CarbonylContact O-C 3.5Å; I479-T485 VanDerWaalsContact O-CA 3.3Å; I479-T485 WeakPolarHBondContact O-CA 3.32Å; A480-T485 HydrophobicContact CB-CG2 4.21Å
486	T	80.3	Confident	85.1	Confident	48 Å²	48	43.9 Å²	43.9	29%	0.294	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	142.6	-176.1	52.4	0	0	0	0	110.7	M439 I479 I484	M439-T486 HydrophobicContact CE-CG2 3.89Å; M439-T486 WeakPolarHBondContact CE-OG1 3.4Å; M439-T486 PolarHBondContact SD-OG1 3.43Å; I479-T486 PolarHBondContact N-O 3.32Å; I479-T486 PolarHBondContact O-N 3.43Å; I484-T486 HydrophobicContact CG2-CG2 3.63Å
487	T	83	Confident	85.4	Confident	99 Å²	99	42.2 Å²	42.2	61%	0.607	27%	0.27	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-103.9	121	172.7	53.6	0	0	0	0	109.2	I477	I477-T487 WeakPolarHBondContact O-CA 3.43Å
488	L	81.5	Confident	85.6	Confident	17 Å²	17	42 Å²	42	9%	0.089	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	136.7	174.9	-64.8	172.9	0	0	0	109.5	A426 M439 V445 T476 I477 I479	A426-L488 HydrophobicContact CB-CD1 3.39Å; M439-L488 HydrophobicContact CE-CD2 4.36Å; V445-L488 HydrophobicContact CG2-CB 4.26Å; V445-L488 HydrophobicContact CG2-CD1 4.19Å; T476-L488 CarbonylContact C-O 3.58Å; T476-L488 VanDerWaalsContact CA-O 3.31Å; T476-L488 WeakPolarHBondContact CA-O 3.38Å; I477-L488 PolarHBondContact N-O 2.97Å; I477-L488 PolarHBondContact O-N 3.17Å; I479-L488 HydrophobicContact CD1-CD1 4.28Å
489	N	81.9	Confident	85.7	Confident	87 Å²	87	41 Å²	41	47%	0.465	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	131.6	177.4	-67	-18	0	0	0	109.9	R491	N489-R491 HydrophobicContact CB-CG 4.25Å
490	S	82.6	Confident	85.7	Confident	1 Å²	1	40.8 Å²	40.8	1%	0.007	26%	0.258	C	S	.	.			trans	-130.8	54.1	-179.3	64.3	0	0	0	0	110.2	Q475 C492	Q475-S490 CarbonylContact O-C 3.46Å; Q475-S490 PolarHBondContact O-N 3.44Å; Q475-S490 PolarHBondContact O-OG 2.9Å; S490-C492 PolarHBondContact O-N 2.82Å; S490-C492 PolarHBondContact O-SG 2.9Å
491	R	85.3	Confident	85.4	Confident	37 Å²	37	40.9 Å²	40.9	14%	0.14	25%	0.25	C	C	.	.			trans	-81.7	66.5	-169.6	-38.2	162.8	-61.6	-174.8	-10.9	110.1	R372 D384 D448 G449 Q475 N489	R372-R491 VanDerWaalsContact NH1-NE 3.19Å; R372-R491 PolarHBondContact NH2-O 3.05Å; D384-R491 VanDerWaalsContact OD2-C 3.31Å; D448-R491 WeakPolarHBondContact OD1-CA 3.34Å; D448-R491 WeakPolarHBondContact OD1-CB 3.2Å; D448-R491 VanDerWaalsContact OD1-CG 3.26Å; D448-R491 WeakPolarHBondContact OD1-CG 3.07Å; D448-R491 IonicContact OD1-CZ 2.78Å; D448-R491 PolarHBondContact OD1-N 3.47Å; D448-R491 IonicContact OD1-NE 3.53Å; D448-R491 PolarHBondContact OD1-NE 2.76Å; D448-R491 IonicContact OD1-NH2 2.64Å; D448-R491 IonicContact OD2-CZ 3.28Å; D448-R491 IonicContact OD2-NE 2.8Å; D448-R491 IonicContact OD2-NH2 3.18Å; D448-R491 PolarHBondContact OD2-NH2 3.28Å; G449-R491 VanDerWaalsContact CA-O 3.24Å; G449-R491 WeakPolarHBondContact CA-O 3.48Å; G449-R491 PolarHBondContact N-O 3.47Å; Q475-R491 HydrophobicContact CB-CB 4.4Å; Q475-R491 HydrophobicContact CB-CG 4.28Å; N489-R491 HydrophobicContact CB-CG 4.25Å
492	C	87.8	Confident	85.2	Confident	6 Å²	6	40.2 Å²	40.2	4%	0.041	24%	0.244	C	C	.	.			trans	-117.6	151.7	-174.1	61	0	0	0	0	111.2	A447 V452 S490	A447-C492 HydrophobicContact CB-CB 4.35Å; A447-C492 WeakPolarHBondContact O-CB 3.41Å; V452-C492 HydrophobicContact CG2-CB 4.01Å; S490-C492 PolarHBondContact O-N 2.82Å; S490-C492 PolarHBondContact O-SG 2.9Å
493	S	91.4	Very high	84.9	Confident	1 Å²	1	39 Å²	39	1%	0.007	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	132.4	165.6	-91.4	0	0	0	0	109.7	I385 G450 V451 V452	I385-S493 PolarHBondContact N-OG 3.33Å; I385-S493 VanDerWaalsContact O-CB 3.26Å; I385-S493 WeakPolarHBondContact O-CB 3.41Å; I385-S493 PolarHBondContact O-OG 3.01Å; G450-S493 PolarHBondContact O-N 2.97Å; V451-S493 CarbonylContact C-O 3.6Å; V451-S493 WeakPolarHBondContact CA-O 3.38Å; V452-S493 PolarHBondContact N-O 2.82Å
494	V	92.9	Very high	84.8	Confident	1 Å²	1	42.9 Å²	42.9	1%	0.006	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	121.4	177.3	-178.3	0	0	0	0	109.6	N386 M387 M444 I454 M472 A496 F524	N386-V494 CarbonylContact C-O 3.5Å; N386-V494 VanDerWaalsContact CA-O 3.29Å; N386-V494 WeakPolarHBondContact CA-O 3.37Å; N386-V494 HydrophobicContact CB-CB 4.48Å; N386-V494 PolarHBondContact OD1-N 3.18Å; M387-V494 PolarHBondContact N-O 3.44Å; M444-V494 HydrophobicContact CE-CG2 4.23Å; I454-V494 HydrophobicContact CD1-CG1 4.04Å; M472-V494 HydrophobicContact CG-CG2 4.14Å; V494-A496 HydrophobicContact CG1-CB 4.44Å; V494-F524 HydrophobicContact CG1-CE1 4.24Å
495	L	94.7	Very high	84.5	Confident	0 Å²	0	42.2 Å²	42.2	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	108.1	167.5	179.7	62.7	0	0	0	108.3	L366 M387 M389 L401 V404 V451 V452 C453 I454	L366-L495 HydrophobicContact CD1-CB 4.09Å; L366-L495 HydrophobicContact CD1-CD1 4.28Å; M387-L495 HydrophobicContact CB-CD1 3.76Å; M387-L495 HydrophobicContact CG-CD1 3.8Å; M387-L495 WeakPolarHBondContact O-CA 3.29Å; M387-L495 HydrophobicContact SD-CD1 3.68Å; M389-L495 HydrophobicContact CE-CD1 4.21Å; M389-L495 HydrophobicContact CE-CG 4.45Å; L401-L495 HydrophobicContact CD2-CB 4.35Å; L401-L495 HydrophobicContact CD2-CD2 3.57Å; L401-L495 HydrophobicContact CD2-CG 3.5Å; V404-L495 HydrophobicContact CB-CD2 3.99Å; V404-L495 HydrophobicContact CG1-CD2 3.91Å; V404-L495 HydrophobicContact CG2-CD2 3.86Å; V451-L495 HydrophobicContact CG1-CB 4.31Å; V452-L495 PolarHBondContact O-N 2.72Å; C453-L495 CarbonylContact C-O 3.57Å; C453-L495 WeakPolarHBondContact CA-O 3.49Å; I454-L495 PolarHBondContact N-O 2.86Å
496	A	92.9	Very high	83.7	Confident	0 Å²	0	39.2 Å²	39.2	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	138.2	-177.4	0	0	0	0	0	111	M387 L388 M389 I454 F457 V494 F524	M387-A496 PolarHBondContact O-N 3.2Å; L388-A496 CarbonylContact C-O 3.34Å; L388-A496 WeakPolarHBondContact CA-O 3.3Å; L388-A496 HydrophobicContact CD1-CB 3.7Å; M389-A496 PolarHBondContact N-O 3.37Å; I454-A496 CarbonylContact O-C 3.6Å; I454-A496 WeakPolarHBondContact O-CA 3.5Å; F457-A496 HydrophobicContact CB-CB 4.2Å; F457-A496 HydrophobicContact CD2-CB 4.19Å; F457-A496 HydrophobicContact CG-CB 4.07Å; V494-A496 HydrophobicContact CG1-CB 4.44Å; A496-F524 HydrophobicContact CB-CE1 3.98Å; A496-F524 HydrophobicContact CB-CZ 3.95Å
497	A	92.9	Very high	83.1	Confident	1 Å²	1	39.4 Å²	39.4	1%	0.008	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	135.6	165.8	0	0	0	0	0	109.8	M389 K397 L401 I454 E456 F457	M389-A497 HydrophobicContact CE-CB 4.3Å; M389-A497 WeakPolarHBondContact O-CA 3.34Å; K397-A497 HydrophobicContact CB-CB 4.3Å; K397-A497 HydrophobicContact CD-CB 4.46Å; L401-A497 HydrophobicContact CD1-CB 3.72Å; L401-A497 HydrophobicContact CG-CB 4.36Å; I454-A497 PolarHBondContact O-N 3.3Å; E456-A497 PolarHBondContact N-O 3.06Å; F457-A497 WeakPolarHBondContact CB-O 3.34Å; F457-A497 PolarHBondContact N-O 2.95Å
498	A	90	Very high	82.3	Confident	0 Å²	0	36.8 Å²	36.8	0%	0	19%	0.185	C	C	.	.			trans	-134.6	153.5	175.6	0	0	0	0	0	110.4	L388 M389 L390 K397 F457 F516	L388-A498 HydrophobicContact CD1-CB 4.4Å; M389-A498 PolarHBondContact O-N 3.03Å; L390-A498 HydrophobicContact CD2-CB 3.6Å; K397-A498 PolarHBondContact NZ-O 3.05Å; F457-A498 HydrophobicContact CB-CB 4.3Å; A498-F516 HydrophobicContact CB-CE2 3.77Å; A498-F516 HydrophobicContact CB-CZ 3.74Å
499	N	87.7	Confident	81.4	Confident	42 Å²	42	40.6 Å²	40.6	23%	0.225	20%	0.201	C	C	.	.			trans	-104.2	152.1	177.2	-62.8	-36.7	0	0	0	109.9
500	S	82.8	Confident	80.4	Confident	7 Å²	7	36.7 Å²	36.7	5%	0.049	18%	0.181	C	C	.	.			trans	-64.1	142.7	169	174.3	0	0	0	0	110.3	G391 Y502 G503 R504	G391-S500 PolarHBondContact O-N 3.42Å; S500-Y502 PolarHBondContact O-N 2.87Å; S500-Y502 PolarHBondContact OG-N 3.32Å; S500-G503 PolarHBondContact O-N 2.67Å; S500-R504 PolarHBondContact OG-O 2.92Å; S500-R504 VanDerWaalsContact OG-O 3.14Å
501	V	80.5	Confident	79.5	Confident	85 Å²	85	42.5 Å²	42.5	52%	0.515	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.8	-36.3	178.6	-179.6	0	0	0	0	111.6	G503 D515	V501-G503 VanDerWaalsContact C-N 3.31Å; V501-G503 PolarHBondContact O-N 3.21Å; V501-D515 HydrophobicContact CG2-CB 3.92Å
502	Y	78.2	Confident	78.7	Confident	120 Å²	120	45.6 Å²	45.6	47%	0.471	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.6	5.3	-178.5	-61.4	-72	0	0	0	113.7	S500 R504 K509 D512	S500-Y502 PolarHBondContact O-N 2.87Å; S500-Y502 PolarHBondContact OG-N 3.32Å; Y502-R504 PolarHBondContact O-N 3.1Å; Y502-K509 HydrophobicContact CE2-CD 4.44Å; Y502-D512 HydrophobicContact CE2-CB 4.28Å
503	G	75	Confident	77.8	Confident	30 Å²	30	45.4 Å²	45.4	31%	0.309	23%	0.226	S	C	.	.	S	Bend	trans	73.7	-35.2	-175.5	0	0	0	0	0	113.9	P393 S500 V501	P393-G503 WeakPolarHBondContact CD-O 3.01Å; S500-G503 PolarHBondContact O-N 2.67Å; V501-G503 VanDerWaalsContact C-N 3.31Å; V501-G503 PolarHBondContact O-N 3.21Å
504	R	75.3	Confident	77	Confident	161 Å²	161	47.1 Å²	47.1	61%	0.608	24%	0.235	S	C	*	.	S	Bend	trans	-111.7	147.3	167.3	-69.9	-173.3	177.3	-158.3	-6.7	110.8	D392 S500 Y502 D506	D392-R504 VanDerWaalsContact OD1-CA 3.24Å; D392-R504 WeakPolarHBondContact OD1-CA 3.28Å; S500-R504 PolarHBondContact OG-O 2.92Å; S500-R504 VanDerWaalsContact OG-O 3.14Å; Y502-R504 PolarHBondContact O-N 3.1Å; R504-D506 PolarHBondContact O-N 3.42Å; R504-D506 VanDerWaalsContact O-N 3.14Å
505	W	71.9	Confident	76.3	Confident	23 Å²	23	52 Å²	52	9%	0.087	26%	0.261	C	S	.	.			trans	-70.5	103.8	172.1	-167.8	-91	0	0	0	109.6	L390 D392 D507 N513 I514 V529	L390-W505 HydrophobicContact CB-CZ3 4.45Å; D392-W505 PolarHBondContact OD1-N 2.82Å; W505-D507 PolarHBondContact NE1-OD1 3.29Å; W505-D507 PolarHBondContact O-N 2.97Å; W505-N513 HydrophobicContact CE3-CB 4.3Å; W505-N513 HydrophobicContact CH2-CB 4.21Å; W505-N513 HydrophobicContact CZ3-CB 4.09Å; W505-I514 HydrophobicContact CH2-CD1 3.97Å; W505-I514 HydrophobicContact CH2-CG1 3.88Å; W505-I514 HydrophobicContact CZ3-CG1 4.2Å; W505-V529 HydrophobicContact CD2-CG1 3.85Å; W505-V529 HydrophobicContact CE3-CG1 4.02Å; W505-V529 HydrophobicContact CG-CG1 4.45Å; W505-V529 HydrophobicContact CH2-CG1 4.08Å; W505-V529 HydrophobicContact CH2-CG2 4.12Å; W505-V529 HydrophobicContact CZ2-CG1 3.93Å; W505-V529 HydrophobicContact CZ2-CG2 4.33Å; W505-V529 HydrophobicContact CZ3-CG1 4.13Å
506	D	68.7	Low	75.4	Confident	57 Å²	57	52.8 Å²	52.8	31%	0.305	27%	0.265	S	S	.	.			trans	-89.5	98.5	173.4	-172.4	-3.3	0	0	0	108.1	R504 T508 K509 N513	R504-D506 PolarHBondContact O-N 3.42Å; R504-D506 VanDerWaalsContact O-N 3.14Å; D506-T508 PolarHBondContact O-N 3.39Å; D506-T508 VanDerWaalsContact OD1-CB 3.28Å; D506-T508 WeakPolarHBondContact OD1-CB 3.45Å; D506-T508 WeakPolarHBondContact OD1-CG2 3.44Å; D506-T508 PolarHBondContact OD1-N 3.28Å; D506-T508 PolarHBondContact OD1-OG1 3.28Å; D506-T508 PolarHBondContact OD2-OG1 3.39Å; D506-K509 PolarHBondContact O-N 3.11Å; D506-N513 PolarHBondContact O-ND2 3.01Å; D506-N513 PolarHBondContact O-OD1 2.95Å
507	D	68.4	Low	74.9	Confident	52 Å²	52	58.4 Å²	58.4	28%	0.278	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-48.9	-8.6	-178.2	-85.3	-27.9	0	0	0	115.9	W505 R531 L673	W505-D507 PolarHBondContact NE1-OD1 3.29Å; W505-D507 PolarHBondContact O-N 2.97Å; D507-R531 VanDerWaalsContact CG-NH1 3.25Å; D507-R531 IonicContact OD1-CZ 2.89Å; D507-R531 IonicContact OD1-NE 2.79Å; D507-R531 IonicContact OD1-NH1 2.7Å; D507-R531 PolarHBondContact OD1-NH1 2.58Å; D507-R531 IonicContact OD1-NH2 3.28Å; D507-R531 PolarHBondContact OD1-NH2 3.49Å; D507-R531 VanDerWaalsContact OD1-NH2 3.08Å; D507-R531 IonicContact OD2-NH1 3.8Å; D507-R531 PolarHBondContact OD2-NH1 3.44Å; D507-L673 HydrophobicContact CB-CD2 4.3Å; D507-L673 WeakPolarHBondContact O-CB 3.47Å
508	T	65.3	Low	74.2	Confident	45 Å²	45	62 Å²	62	28%	0.276	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-114.1	-18.3	-157.1	83.6	0	0	0	0	111.3	D506 R733	D506-T508 PolarHBondContact O-N 3.39Å; D506-T508 VanDerWaalsContact OD1-CB 3.28Å; D506-T508 WeakPolarHBondContact OD1-CB 3.45Å; D506-T508 WeakPolarHBondContact OD1-CG2 3.44Å; D506-T508 PolarHBondContact OD1-N 3.28Å; D506-T508 PolarHBondContact OD1-OG1 3.28Å; D506-T508 PolarHBondContact OD2-OG1 3.39Å; T508-R733 PolarHBondContact OG1-NH2 3.36Å
509	K	63.9	Low	73.9	Confident	96 Å²	96	65.6 Å²	65.6	42%	0.417	34%	0.337	S	S	.	.	S	Bend	trans	-113.9	50.6	168.3	-62.1	-174.3	179.8	-178.4	0	109.1	Y502 D506 E511 D512 N513	Y502-K509 HydrophobicContact CE2-CD 4.44Å; D506-K509 PolarHBondContact O-N 3.11Å; K509-E511 VanDerWaalsContact C-N 3.28Å; K509-E511 PolarHBondContact O-N 2.96Å; K509-D512 HydrophobicContact CB-CB 4.33Å; K509-D512 PolarHBondContact O-N 3.37Å; K509-D512 VanDerWaalsContact O-N 3.09Å; K509-N513 PolarHBondContact O-N 3.45Å; K509-N513 VanDerWaalsContact O-N 3.11Å; K509-N513 PolarHBondContact O-ND2 3.42Å; K509-N513 PolarHBondContact O-OD1 2.7Å
510	G	59.3	Low	73.7	Confident	6 Å²	6	63.7 Å²	63.7	6%	0.062	33%	0.327	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.5	-39.7	-167.9	0	0	0	0	0	114.6	G671	G510-G671 CarbonylContact C-O 3.5Å; G510-G671 WeakPolarHBondContact CA-O 3.4Å
511	E	63.9	Low	73.8	Confident	122 Å²	122	64 Å²	64	57%	0.57	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.1	-41.8	178	-63.2	-175.3	174.4	0	0	112.6	K509 N513 I514 G671	K509-E511 VanDerWaalsContact C-N 3.28Å; K509-E511 PolarHBondContact O-N 2.96Å; E511-N513 PolarHBondContact O-N 3.23Å; E511-I514 PolarHBondContact O-N 3.31Å; E511-G671 PolarHBondContact N-O 3.11Å
512	D	69.8	Low	74	Confident	102 Å²	102	60.9 Å²	60.9	55%	0.545	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.7	-10.5	-177.9	-66.2	-21.6	0	0	0	113.3	Y502 K509 I514	Y502-D512 HydrophobicContact CE2-CB 4.28Å; K509-D512 HydrophobicContact CB-CB 4.33Å; K509-D512 PolarHBondContact O-N 3.37Å; K509-D512 VanDerWaalsContact O-N 3.09Å; D512-I514 PolarHBondContact O-N 3.16Å
513	N	68.9	Low	74.5	Confident	2 Å²	2	57.7 Å²	57.7	1%	0.011	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.3	-21.8	177.8	-72.8	-25.2	0	0	0	112.9	W505 D506 K509 E511	W505-N513 HydrophobicContact CE3-CB 4.3Å; W505-N513 HydrophobicContact CH2-CB 4.21Å; W505-N513 HydrophobicContact CZ3-CB 4.09Å; D506-N513 PolarHBondContact O-ND2 3.01Å; D506-N513 PolarHBondContact O-OD1 2.95Å; K509-N513 PolarHBondContact O-N 3.45Å; K509-N513 VanDerWaalsContact O-N 3.11Å; K509-N513 PolarHBondContact O-ND2 3.42Å; K509-N513 PolarHBondContact O-OD1 2.7Å; E511-N513 PolarHBondContact O-N 3.23Å
514	I	74	Confident	75.1	Confident	38 Å²	38	56.3 Å²	56.3	20%	0.195	28%	0.283	C	S	.	.			trans	-119	108	-172.9	-48.6	179.1	0	0	0	110.2	L390 W505 E511 D512 F516 L521	L390-I514 HydrophobicContact CD1-CD1 4.1Å; W505-I514 HydrophobicContact CH2-CD1 3.97Å; W505-I514 HydrophobicContact CH2-CG1 3.88Å; W505-I514 HydrophobicContact CZ3-CG1 4.2Å; E511-I514 PolarHBondContact O-N 3.31Å; D512-I514 PolarHBondContact O-N 3.16Å; I514-F516 HydrophobicContact CG2-CB 3.88Å; I514-F516 HydrophobicContact CG2-CD2 3.34Å; I514-F516 HydrophobicContact CG2-CE2 4.2Å; I514-F516 HydrophobicContact CG2-CG 4.02Å; I514-F516 PolarHBondContact O-N 2.83Å; I514-L521 HydrophobicContact CG2-CD1 4.2Å; I514-L521 HydrophobicContact CG2-CD2 4.38Å
515	D	78.5	Confident	75.9	Confident	104 Å²	104	48.6 Å²	48.6	56%	0.556	25%	0.254	S	S	*	.			trans	-80.1	31.4	176.5	-168.7	29.1	0	0	0	113.6	R465 V501	R465-D515 PolarHBondContact NH1-O 3.42Å; V501-D515 HydrophobicContact CG2-CB 3.92Å
516	F	76.6	Confident	76.7	Confident	16 Å²	16	47.5 Å²	47.5	7%	0.07	25%	0.25	C	C	.	.	S	Bend	trans	-109.9	135.2	-179.8	-60.5	-56.5	0	0	0	111.1	L390 F457 D458 A498 I514 I520 L521	L390-F516 HydrophobicContact CD2-CD2 4.43Å; L390-F516 HydrophobicContact CD2-CE2 3.85Å; F457-F516 HydrophobicContact CD1-CD1 4.23Å; F457-F516 AromaticContact CD1-CE1 3.4Å; F457-F516 HydrophobicContact CD1-CE1 3.4Å; F457-F516 VanDerWaalsContact CD1-CE1 3.4Å; F457-F516 HydrophobicContact CD1-CE2 4.35Å; F457-F516 AromaticContact CD1-CZ 3.51Å; F457-F516 HydrophobicContact CD1-CZ 3.51Å; F457-F516 HydrophobicContact CE1-CD1 4.08Å; F457-F516 AromaticContact CE1-CE1 3.68Å; F457-F516 HydrophobicContact CE1-CE1 3.68Å; F457-F516 HydrophobicContact CE1-CZ 4.18Å; F457-F516 HydrophobicContact CG-CE1 4.46Å; F457-F516 HydrophobicContact CG-CZ 4.48Å; D458-F516 HydrophobicContact CB-CZ 4.05Å; A498-F516 HydrophobicContact CB-CE2 3.77Å; A498-F516 HydrophobicContact CB-CZ 3.74Å; I514-F516 HydrophobicContact CG2-CB 3.88Å; I514-F516 HydrophobicContact CG2-CD2 3.34Å; I514-F516 HydrophobicContact CG2-CE2 4.2Å; I514-F516 HydrophobicContact CG2-CG 4.02Å; I514-F516 PolarHBondContact O-N 2.83Å; F516-I520 HydrophobicContact CD1-CD1 4.43Å; F516-L521 HydrophobicContact CB-CD1 4.42Å; F516-L521 HydrophobicContact CB-CD2 4.19Å; F516-L521 HydrophobicContact CB-CG 4.04Å; F516-L521 HydrophobicContact CD2-CD2 4.21Å
517	M	80.5	Confident	77.7	Confident	117 Å²	117	44.9 Å²	44.9	58%	0.576	24%	0.236	S	C	*	.			trans	-60.6	139.2	168.1	-61.8	177.7	110.9	0	0	109.1	T519 I520 L521	M517-T519 WeakPolarHBondContact CB-OG1 3.42Å; M517-T519 PolarHBondContact O-N 3.4Å; M517-I520 WeakPolarHBondContact O-CB 3.49Å; M517-I520 PolarHBondContact O-N 3.32Å; M517-L521 PolarHBondContact O-N 3.1Å
518	P	79.4	Confident	78.7	Confident	78 Å²	78	42.9 Å²	42.9	51%	0.506	22%	0.224	S	C	.	.	H	α-helix	trans	-55.2	-25	177.5	-28	34.9	0	0	0	113.6	I520 L521 S522	P518-I520 VanDerWaalsContact C-N 3.32Å; P518-I520 PolarHBondContact O-N 2.92Å; P518-L521 PolarHBondContact O-N 2.96Å; P518-S522 WeakPolarHBondContact O-CB 3.3Å; P518-S522 PolarHBondContact O-N 3Å
519	T	83.1	Confident	79.7	Confident	74 Å²	74	41.8 Å²	41.8	45%	0.454	22%	0.217	S	C	.	.	H	α-helix	trans	-62.8	-35	175.4	56.2	0	0	0	0	113	M517 R523	M517-T519 WeakPolarHBondContact CB-OG1 3.42Å; M517-T519 PolarHBondContact O-N 3.4Å; T519-R523 WeakPolarHBondContact O-CG 3.49Å
520	I	84.8	Confident	80.7	Confident	3 Å²	3	38 Å²	38	2%	0.015	20%	0.202	C	C	.	.	H	α-helix	trans	-73.4	-48.9	175.6	-64.9	170.8	0	0	0	109.8	F457 R465 H469 F516 M517 P518 S522 R523 F524	F457-I520 HydrophobicContact CE1-CG2 3.9Å; F457-I520 HydrophobicContact CZ-CG2 4.14Å; R465-I520 HydrophobicContact CG-CD1 3.69Å; H469-I520 WeakPolarHBondContact CE1-CG1 3.41Å; H469-I520 WeakPolarHBondContact NE2-CG1 3.01Å; F516-I520 HydrophobicContact CD1-CD1 4.43Å; M517-I520 WeakPolarHBondContact O-CB 3.49Å; M517-I520 PolarHBondContact O-N 3.32Å; P518-I520 VanDerWaalsContact C-N 3.32Å; P518-I520 PolarHBondContact O-N 2.92Å; I520-S522 PolarHBondContact O-N 3.41Å; I520-R523 WeakPolarHBondContact O-CA 3.39Å; I520-R523 WeakPolarHBondContact O-CB 3.26Å; I520-R523 PolarHBondContact O-N 3.23Å; I520-F524 HydrophobicContact CG2-CD2 4.24Å; I520-F524 HydrophobicContact CG2-CE2 3.68Å; I520-F524 WeakPolarHBondContact O-CD2 3.26Å
521	L	83.9	Confident	81.8	Confident	13 Å²	13	41.2 Å²	41.2	7%	0.068	21%	0.212	C	C	.	.	H	α-helix	trans	-58.8	-40.5	-178.2	-68	174.2	0	0	0	111	L388 I514 F516 M517 P518 R523 F524 I527	L388-L521 HydrophobicContact CD2-CD2 3.7Å; I514-L521 HydrophobicContact CG2-CD1 4.2Å; I514-L521 HydrophobicContact CG2-CD2 4.38Å; F516-L521 HydrophobicContact CB-CD1 4.42Å; F516-L521 HydrophobicContact CB-CD2 4.19Å; F516-L521 HydrophobicContact CB-CG 4.04Å; F516-L521 HydrophobicContact CD2-CD2 4.21Å; M517-L521 PolarHBondContact O-N 3.1Å; P518-L521 PolarHBondContact O-N 2.96Å; L521-R523 PolarHBondContact O-N 2.98Å; L521-R523 VanDerWaalsContact O-N 3.12Å; L521-F524 PolarHBondContact O-N 2.64Å; L521-I527 HydrophobicContact CB-CD1 4.31Å; L521-I527 HydrophobicContact CD2-CD1 4.3Å
522	S	84.3	Confident	82.8	Confident	19 Å²	19	39.3 Å²	39.3	13%	0.133	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-19	174.1	-176.1	0	0	0	0	113.6	P518 I520 R627	P518-S522 WeakPolarHBondContact O-CB 3.3Å; P518-S522 PolarHBondContact O-N 3Å; I520-S522 PolarHBondContact O-N 3.41Å; S522-R627 WeakPolarHBondContact O-CD 3.21Å; S522-R627 PolarHBondContact O-NE 2.84Å
523	R	88.3	Confident	83.4	Confident	54 Å²	54	39.2 Å²	39.2	20%	0.204	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.3	-17.5	179.7	-49.6	-144.6	172.5	150	3.9	115.1	H469 M472 T519 I520 L521 R627	H469-R523 VanDerWaalsContact ND1-CZ 3.29Å; H469-R523 PolarHBondContact ND1-NH1 3.31Å; H469-R523 PolarHBondContact O-NH1 2.99Å; M472-R523 HydrophobicContact CE-CB 3.8Å; T519-R523 WeakPolarHBondContact O-CG 3.49Å; I520-R523 WeakPolarHBondContact O-CA 3.39Å; I520-R523 WeakPolarHBondContact O-CB 3.26Å; I520-R523 PolarHBondContact O-N 3.23Å; L521-R523 PolarHBondContact O-N 2.98Å; L521-R523 VanDerWaalsContact O-N 3.12Å; R523-R627 VanDerWaalsContact CB-NH2 3.35Å
524	F	89.6	Confident	84	Confident	0 Å²	0	45.8 Å²	45.8	0%	0	23%	0.232	C	C	.	.			trans	-84.1	140.5	171.3	-69.7	-78.7	0	0	0	109.5	N386 L388 F457 M472 V494 A496 I520 L521 I527	N386-F524 HydrophobicContact CB-CD1 3.87Å; N386-F524 HydrophobicContact CB-CE1 4.37Å; L388-F524 HydrophobicContact CB-CB 4.22Å; L388-F524 HydrophobicContact CB-CD1 3.82Å; L388-F524 HydrophobicContact CB-CD2 4.13Å; L388-F524 HydrophobicContact CB-CE1 4.18Å; L388-F524 HydrophobicContact CB-CE2 4.45Å; L388-F524 HydrophobicContact CB-CG 3.79Å; L388-F524 HydrophobicContact CB-CZ 4.48Å; L388-F524 HydrophobicContact CD1-CE2 4.42Å; L388-F524 HydrophobicContact CD1-CZ 4.33Å; L388-F524 HydrophobicContact CD2-CD2 4.12Å; L388-F524 HydrophobicContact CD2-CE2 4.32Å; F457-F524 HydrophobicContact CE1-CE2 4.14Å; F457-F524 HydrophobicContact CE1-CZ 4.25Å; F457-F524 HydrophobicContact CZ-CE2 4.33Å; F457-F524 HydrophobicContact CZ-CZ 4.19Å; M472-F524 HydrophobicContact CE-CD1 3.77Å; M472-F524 HydrophobicContact CE-CD2 4.06Å; M472-F524 HydrophobicContact CE-CE1 3.56Å; M472-F524 HydrophobicContact CE-CE2 3.87Å; M472-F524 HydrophobicContact CE-CG 4.02Å; M472-F524 HydrophobicContact CE-CZ 3.61Å; M472-F524 HydrophobicContact SD-CZ 4.26Å; V494-F524 HydrophobicContact CG1-CE1 4.24Å; A496-F524 HydrophobicContact CB-CE1 3.98Å; A496-F524 HydrophobicContact CB-CZ 3.95Å; I520-F524 HydrophobicContact CG2-CD2 4.24Å; I520-F524 HydrophobicContact CG2-CE2 3.68Å; I520-F524 WeakPolarHBondContact O-CD2 3.26Å; L521-F524 PolarHBondContact O-N 2.64Å; F524-I527 HydrophobicContact CB-CG1 4.09Å
525	D	90.3	Very high	84.6	Confident	0 Å²	0	46.1 Å²	46.1	0%	0	24%	0.235	C	C	.	.	S	Bend	trans	-88.8	-34.6	-176.1	-56.8	-39.6	0	0	0	110.6	R382 I385 N386 A631 R634	R382-D525 IonicContact NH2-OD2 3.68Å; R382-D525 PolarHBondContact NH2-OD2 2.93Å; I385-D525 WeakPolarHBondContact CA-OD2 3.15Å; I385-D525 HydrophobicContact CG2-CB 4.11Å; N386-D525 PolarHBondContact N-OD2 2.82Å; N386-D525 WeakPolarHBondContact O-CB 3.5Å; N386-D525 PolarHBondContact O-N 3.16Å; D525-A631 HydrophobicContact CB-CB 3.63Å; D525-R634 VanDerWaalsContact CG-NH1 3.26Å; D525-R634 VanDerWaalsContact CG-NH2 3.34Å; D525-R634 IonicContact OD1-CZ 2.71Å; D525-R634 VanDerWaalsContact OD1-CZ 3.31Å; D525-R634 IonicContact OD1-NH1 3.9Å; D525-R634 PolarHBondContact OD1-NH1 3.34Å; D525-R634 IonicContact OD1-NH2 3.29Å; D525-R634 PolarHBondContact OD1-NH2 3.39Å; D525-R634 IonicContact OD2-CZ 3.26Å; D525-R634 IonicContact OD2-NH1 3.98Å; D525-R634 PolarHBondContact OD2-NH1 2.97Å; D525-R634 IonicContact OD2-NH2 3.62Å
526	M	90	Very high	85.1	Confident	0 Å²	0	45.6 Å²	45.6	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	130.9	174.5	-64.5	-180	-70.9	0	0	109.8	A362 I385 N386 M387 L388 F528 I635	A362-M526 HydrophobicContact CB-CE 3.67Å; A362-M526 HydrophobicContact CB-SD 3.62Å; I385-M526 HydrophobicContact CG2-CE 3.74Å; N386-M526 PolarHBondContact O-N 2.82Å; M387-M526 WeakPolarHBondContact CA-O 3.4Å; M387-M526 HydrophobicContact CG-CB 4.43Å; L388-M526 PolarHBondContact N-O 3.11Å; M526-F528 HydrophobicContact CB-CD2 4.36Å; M526-F528 HydrophobicContact CB-CE2 3.74Å; M526-F528 HydrophobicContact CB-CZ 4.44Å; M526-F528 HydrophobicContact CG-CE2 4.49Å; M526-F528 HydrophobicContact SD-CE2 4.23Å; M526-F528 HydrophobicContact SD-CZ 4.38Å; M526-I635 HydrophobicContact CE-CD1 4.49Å; M526-I635 HydrophobicContact CG-CD1 3.77Å; M526-I635 HydrophobicContact SD-CD1 3.78Å; M526-I635 HydrophobicContact SD-CG1 4.38Å
527	I	89.8	Confident	85.7	Confident	2 Å²	2	52 Å²	52	1%	0.01	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	116.4	177.8	-58	168	0	0	0	107.3	L388 L390 L521 F524 I622 S663 A667	L388-I527 HydrophobicContact CB-CG1 4.39Å; L388-I527 HydrophobicContact CD2-CG2 4.27Å; L388-I527 CarbonylContact O-C 3.5Å; L388-I527 WeakPolarHBondContact O-CA 3.31Å; L390-I527 HydrophobicContact CD1-CG2 3.8Å; L521-I527 HydrophobicContact CB-CD1 4.31Å; L521-I527 HydrophobicContact CD2-CD1 4.3Å; F524-I527 HydrophobicContact CB-CG1 4.09Å; I527-I622 HydrophobicContact CD1-CD1 3.93Å; I527-S663 CarbonylContact O-C 3.45Å; I527-S663 WeakPolarHBondContact O-CA 3.28Å; I527-S663 WeakPolarHBondContact O-CB 3.28Å; I527-A667 HydrophobicContact CG2-CB 4.16Å
528	F	89.6	Confident	85.8	Confident	9 Å²	9	52 Å²	52	4%	0.039	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	125.4	177.7	-70.2	-80.9	0	0	0	110	I359 A362 M387 L388 L390 M526	I359-F528 HydrophobicContact CD1-CB 4.38Å; I359-F528 HydrophobicContact CG1-CB 4.33Å; I359-F528 HydrophobicContact CG1-CD1 3.97Å; I359-F528 HydrophobicContact CG1-CE1 4.45Å; I359-F528 HydrophobicContact CG1-CG 4.06Å; A362-F528 HydrophobicContact CB-CE2 3.41Å; A362-F528 VanDerWaalsContact CB-CE2 3.41Å; A362-F528 HydrophobicContact CB-CZ 3.52Å; M387-F528 HydrophobicContact CE-CD2 3.29Å; M387-F528 HydrophobicContact CE-CE2 3.5Å; M387-F528 VanDerWaalsContact CE-CE2 3.5Å; M387-F528 HydrophobicContact CE-CG 4.27Å; M387-F528 HydrophobicContact CG-CD2 4.12Å; M387-F528 HydrophobicContact CG-CE2 4.27Å; M387-F528 HydrophobicContact SD-CD2 4.34Å; M387-F528 HydrophobicContact SD-CE2 4.23Å; L388-F528 PolarHBondContact O-N 3.18Å; L390-F528 PolarHBondContact N-O 2.77Å; M526-F528 HydrophobicContact CB-CD2 4.36Å; M526-F528 HydrophobicContact CB-CE2 3.74Å; M526-F528 HydrophobicContact CB-CZ 4.44Å; M526-F528 HydrophobicContact CG-CE2 4.49Å; M526-F528 HydrophobicContact SD-CE2 4.23Å; M526-F528 HydrophobicContact SD-CZ 4.38Å
529	V	85.3	Confident	86.2	Confident	22 Å²	22	51.8 Å²	51.8	13%	0.133	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	113.2	170.7	-178.5	0	0	0	0	108	L390 W505 R531 A667	L390-V529 HydrophobicContact CB-CG2 4.45Å; W505-V529 HydrophobicContact CD2-CG1 3.85Å; W505-V529 HydrophobicContact CE3-CG1 4.02Å; W505-V529 HydrophobicContact CG-CG1 4.45Å; W505-V529 HydrophobicContact CH2-CG1 4.08Å; W505-V529 HydrophobicContact CH2-CG2 4.12Å; W505-V529 HydrophobicContact CZ2-CG1 3.93Å; W505-V529 HydrophobicContact CZ2-CG2 4.33Å; W505-V529 HydrophobicContact CZ3-CG1 4.13Å; V529-R531 HydrophobicContact CG1-CG 4.26Å; V529-A667 HydrophobicContact CG2-CB 3.96Å
530	I	85.9	Confident	86.6	Confident	18 Å²	18	50.6 Å²	50.6	9%	0.092	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	117.8	179.9	-47.9	178.6	0	0	0	108.4	I359 M389 L390 G391 D392 T395 K397	I359-I530 HydrophobicContact CD1-CD1 3.59Å; I359-I530 HydrophobicContact CD1-CG1 3.66Å; M389-I530 HydrophobicContact CB-CD1 4.37Å; L390-I530 PolarHBondContact O-N 2.92Å; G391-I530 WeakPolarHBondContact CA-O 3.38Å; D392-I530 PolarHBondContact N-O 2.83Å; T395-I530 HydrophobicContact CG2-CG2 3.88Å; K397-I530 HydrophobicContact CD-CD1 4.42Å; K397-I530 HydrophobicContact CG-CD1 3.91Å
531	R	82.5	Confident	86.7	Confident	72 Å²	72	53 Å²	53	27%	0.272	27%	0.27	S	S	.	.			trans	-108	139.8	179.4	-56.1	178.2	-172.5	-150.7	-8.3	109.9	D507 V529 E533	D507-R531 VanDerWaalsContact CG-NH1 3.25Å; D507-R531 IonicContact OD1-CZ 2.89Å; D507-R531 IonicContact OD1-NE 2.79Å; D507-R531 IonicContact OD1-NH1 2.7Å; D507-R531 PolarHBondContact OD1-NH1 2.58Å; D507-R531 IonicContact OD1-NH2 3.28Å; D507-R531 PolarHBondContact OD1-NH2 3.49Å; D507-R531 VanDerWaalsContact OD1-NH2 3.08Å; D507-R531 IonicContact OD2-NH1 3.8Å; D507-R531 PolarHBondContact OD2-NH1 3.44Å; V529-R531 HydrophobicContact CG1-CG 4.26Å; R531-E533 HydrophobicContact CB-CG 4.48Å; R531-E533 PolarHBondContact O-N 3.19Å
532	D	83.8	Confident	86.8	Confident	82 Å²	82	55.5 Å²	55.5	44%	0.439	28%	0.283	S	S	.	.			trans	-90	86.7	170.3	-168.3	24.6	0	0	0	109.9	D392 T395 H534	D392-D532 HydrophobicContact CB-CB 4.37Å; D392-D532 PolarHBondContact OD2-N 3.45Å; T395-D532 HydrophobicContact CG2-CB 4.39Å; D532-H534 PolarHBondContact O-ND1 3.33Å
533	E	82	Confident	86.9	Confident	100 Å²	100	57.1 Å²	57.1	47%	0.467	30%	0.298	S	S	.	.			trans	-80.6	128.1	175.7	-67.7	-171.4	158.6	0	0	110.7	R531 D535 R538	R531-E533 HydrophobicContact CB-CG 4.48Å; R531-E533 PolarHBondContact O-N 3.19Å; E533-D535 PolarHBondContact O-N 2.9Å; E533-D535 VanDerWaalsContact O-N 3.1Å; E533-R538 IonicContact OE2-CZ 3.6Å; E533-R538 VanDerWaalsContact OE2-CZ 3.26Å; E533-R538 IonicContact OE2-NH1 3.65Å; E533-R538 PolarHBondContact OE2-NH1 3.5Å; E533-R538 IonicContact OE2-NH2 3.75Å; E533-R538 PolarHBondContact OE2-NH2 3.19Å
534	H	81.4	Confident	86.9	Confident	140 Å²	140	62 Å²	62	65%	0.648	32%	0.321	S	S	*	.			trans	-81.7	94.9	-179.8	-55.8	61.2	0	0	0	108.8	D532	D532-H534 PolarHBondContact O-ND1 3.33Å
535	D	86.5	Confident	86.6	Confident	46 Å²	46	64 Å²	64	25%	0.246	33%	0.329	C	S	.	.			trans	-128.2	114.3	177.9	177.2	17.3	0	0	0	110.7	E533 Q537 R538 D539	E533-D535 PolarHBondContact O-N 2.9Å; E533-D535 VanDerWaalsContact O-N 3.1Å; D535-Q537 PolarHBondContact O-N 3.49Å; D535-Q537 PolarHBondContact OD1-N 3.31Å; D535-R538 HydrophobicContact CB-CB 4.21Å; D535-R538 HydrophobicContact CB-CG 4.45Å; D535-R538 PolarHBondContact O-N 2.91Å; D535-R538 IonicContact OD2-CZ 3.46Å; D535-R538 IonicContact OD2-NE 3.09Å; D535-R538 PolarHBondContact OD2-NE 3.32Å; D535-R538 IonicContact OD2-NH2 2.72Å; D535-D539 PolarHBondContact O-N 3.3Å
536	S	89.5	Confident	86.3	Confident	93 Å²	93	67.1 Å²	67.1	65%	0.65	35%	0.348	S	S	*	.	H	α-helix	trans	-53.7	-32.3	-175.9	61.2	0	0	0	0	114.6	A540	S536-A540 WeakPolarHBondContact O-CB 3.43Å; S536-A540 PolarHBondContact O-N 2.89Å; S536-A540 VanDerWaalsContact O-N 3.1Å
537	Q	89.6	Confident	86.1	Confident	149 Å²	149	73 Å²	73	70%	0.696	38%	0.377	S	S	*	.	H	α-helix	trans	-73.9	-45.7	179.5	-67.2	-172	-6.5	0	0	111.3	D535 A540 T541	D535-Q537 PolarHBondContact O-N 3.49Å; D535-Q537 PolarHBondContact OD1-N 3.31Å; Q537-A540 PolarHBondContact O-N 3.45Å; Q537-T541 PolarHBondContact O-N 2.9Å; Q537-T541 VanDerWaalsContact O-N 3.14Å; Q537-T541 PolarHBondContact O-OG1 3.03Å
538	R	83.1	Confident	85.7	Confident	119 Å²	119	76.7 Å²	76.7	45%	0.449	40%	0.395	S	S	.	.	H	α-helix	trans	-64.2	-41.1	174.9	-75.4	-176.4	-99.5	174.7	-3.8	111.3	E533 D535 A540 T541 L542	E533-R538 IonicContact OE2-CZ 3.6Å; E533-R538 VanDerWaalsContact OE2-CZ 3.26Å; E533-R538 IonicContact OE2-NH1 3.65Å; E533-R538 PolarHBondContact OE2-NH1 3.5Å; E533-R538 IonicContact OE2-NH2 3.75Å; E533-R538 PolarHBondContact OE2-NH2 3.19Å; D535-R538 HydrophobicContact CB-CB 4.21Å; D535-R538 HydrophobicContact CB-CG 4.45Å; D535-R538 PolarHBondContact O-N 2.91Å; D535-R538 IonicContact OD2-CZ 3.46Å; D535-R538 IonicContact OD2-NE 3.09Å; D535-R538 PolarHBondContact OD2-NE 3.32Å; D535-R538 IonicContact OD2-NH2 2.72Å; R538-A540 VanDerWaalsContact C-N 3.3Å; R538-A540 PolarHBondContact O-N 3.38Å; R538-T541 PolarHBondContact O-N 3.41Å; R538-T541 PolarHBondContact O-OG1 3.08Å; R538-L542 VanDerWaalsContact O-CB 3.28Å; R538-L542 WeakPolarHBondContact O-CB 3.28Å; R538-L542 WeakPolarHBondContact O-CG 3.3Å; R538-L542 PolarHBondContact O-N 2.89Å
539	D	87.3	Confident	85.2	Confident	73 Å²	73	79.2 Å²	79.2	39%	0.39	41%	0.411	S	S	.	.	H	α-helix	trans	-62	-39.7	176.9	-65	-18	0	0	0	111.4	D535 A543	D535-D539 PolarHBondContact O-N 3.3Å; D539-A543 WeakPolarHBondContact O-CB 3.29Å; D539-A543 PolarHBondContact O-N 3.04Å
540	A	90.2	Very high	85	Confident	49 Å²	49	85 Å²	85	41%	0.405	44%	0.436	S	S	.	.	H	α-helix	trans	-66.8	-39.6	177	0	0	0	0	0	112.7	S536 Q537 R538 K544	S536-A540 WeakPolarHBondContact O-CB 3.43Å; S536-A540 PolarHBondContact O-N 2.89Å; S536-A540 VanDerWaalsContact O-N 3.1Å; Q537-A540 PolarHBondContact O-N 3.45Å; R538-A540 VanDerWaalsContact C-N 3.3Å; R538-A540 PolarHBondContact O-N 3.38Å; A540-K544 WeakPolarHBondContact O-CG 3.1Å; A540-K544 PolarHBondContact O-N 2.75Å; A540-K544 VanDerWaalsContact O-N 3.11Å
541	T	88.1	Confident	84.7	Confident	52 Å²	52	90.9 Å²	90.9	32%	0.319	47%	0.467	S	S	.	.	H	α-helix	trans	-71.6	-41.7	176.5	56.1	0	0	0	0	111.6	Q537 R538 K544 H545	Q537-T541 PolarHBondContact O-N 2.9Å; Q537-T541 VanDerWaalsContact O-N 3.14Å; Q537-T541 PolarHBondContact O-OG1 3.03Å; R538-T541 PolarHBondContact O-N 3.41Å; R538-T541 PolarHBondContact O-OG1 3.08Å; T541-K544 PolarHBondContact O-N 3.43Å; T541-H545 WeakPolarHBondContact O-CB 3.29Å; T541-H545 PolarHBondContact O-N 3.23Å
542	L	85.5	Confident	84	Confident	66 Å²	66	90.1 Å²	90.1	35%	0.346	47%	0.466	S	S	.	.	H	α-helix	trans	-58	-47.9	173	-74.8	168.7	0	0	0	111.2	Y354 R538 K544 H545 V546	Y354-L542 HydrophobicContact CD1-CD2 3.64Å; Y354-L542 HydrophobicContact CD1-CG 4.17Å; Y354-L542 HydrophobicContact CG-CD2 4.25Å; R538-L542 VanDerWaalsContact O-CB 3.28Å; R538-L542 WeakPolarHBondContact O-CB 3.28Å; R538-L542 WeakPolarHBondContact O-CG 3.3Å; R538-L542 PolarHBondContact O-N 2.89Å; L542-K544 PolarHBondContact O-N 3.08Å; L542-H545 PolarHBondContact O-N 2.95Å; L542-V546 WeakPolarHBondContact O-CB 3.47Å; L542-V546 VanDerWaalsContact O-CG2 3.26Å; L542-V546 WeakPolarHBondContact O-CG2 3.05Å; L542-V546 PolarHBondContact O-N 2.59Å
543	A	86.9	Confident	82.6	Confident	54 Å²	54	88.6 Å²	88.6	45%	0.446	47%	0.47	S	S	.	.	H	α-helix	trans	-60.2	-45.8	178.1	0	0	0	0	0	111.6	D539 H545 V546 M547	D539-A543 WeakPolarHBondContact O-CB 3.29Å; D539-A543 PolarHBondContact O-N 3.04Å; A543-H545 PolarHBondContact O-N 3.16Å; A543-V546 PolarHBondContact O-N 3Å; A543-M547 WeakPolarHBondContact O-CB 3.4Å; A543-M547 WeakPolarHBondContact O-CG 3.15Å; A543-M547 PolarHBondContact O-N 3.13Å
544	K	88.4	Confident	81.4	Confident	157 Å²	157	91.9 Å²	91.9	68%	0.683	49%	0.491	S	S	*	.	H	α-helix	trans	-59.2	-46.5	176.1	-75	176.6	-176.4	-178.1	0	112	A540 T541 L542 M547 Q548	A540-K544 WeakPolarHBondContact O-CG 3.1Å; A540-K544 PolarHBondContact O-N 2.75Å; A540-K544 VanDerWaalsContact O-N 3.11Å; T541-K544 PolarHBondContact O-N 3.43Å; L542-K544 PolarHBondContact O-N 3.08Å; K544-M547 PolarHBondContact O-N 3.38Å; K544-Q548 WeakPolarHBondContact O-CB 3.16Å; K544-Q548 PolarHBondContact O-N 2.88Å
545	H	82.5	Confident	80	Confident	40 Å²	40	90.8 Å²	90.8	19%	0.185	49%	0.49	C	S	.	.	H	α-helix	trans	-64.2	-46.5	-179.8	-176	-84.8	0	0	0	112	P351 S352 Y354 T541 L542 A543 M547 Q548 V549	P351-H545 PolarHBondContact O-CE1 3.37Å; P351-H545 PolarHBondContact O-NE2 3.08Å; S352-H545 PolarHBondContact O-CE1 3.03Å; Y354-H545 HydrophobicContact CD2-CB 4.38Å; Y354-H545 AromaticContact CD2-CD2 3.89Å; Y354-H545 HydrophobicContact CG-CB 4.39Å; T541-H545 WeakPolarHBondContact O-CB 3.29Å; T541-H545 PolarHBondContact O-N 3.23Å; L542-H545 PolarHBondContact O-N 2.95Å; A543-H545 PolarHBondContact O-N 3.16Å; H545-M547 VanDerWaalsContact C-N 3.32Å; H545-M547 PolarHBondContact O-N 3.23Å; H545-Q548 WeakPolarHBondContact O-CB 3.11Å; H545-Q548 PolarHBondContact O-N 2.82Å; H545-V549 WeakPolarHBondContact O-CG2 3.41Å; H545-V549 PolarHBondContact O-N 2.88Å
546	V	84.3	Confident	78.3	Confident	66 Å²	66	93.6 Å²	93.6	40%	0.4	51%	0.511	S	S	.	.	H	α-helix	trans	-61.8	-42.2	177.5	170.6	0	0	0	0	110.7	L542 A543 Q548 V549 H550	L542-V546 WeakPolarHBondContact O-CB 3.47Å; L542-V546 VanDerWaalsContact O-CG2 3.26Å; L542-V546 WeakPolarHBondContact O-CG2 3.05Å; L542-V546 PolarHBondContact O-N 2.59Å; A543-V546 PolarHBondContact O-N 3Å; V546-Q548 PolarHBondContact O-N 2.9Å; V546-V549 PolarHBondContact O-N 2.58Å; V546-H550 PolarHBondContact O-CD2 3.21Å; V546-H550 PolarHBondContact O-N 2.82Å
547	M	85	Confident	76.2	Confident	124 Å²	124	92.8 Å²	92.8	61%	0.611	51%	0.509	S	S	*	.	H	α-helix	trans	-63	-40.8	175.1	-70.8	-60.4	-64.5	0	0	112.1	A543 K544 H545 H550 L551	A543-M547 WeakPolarHBondContact O-CB 3.4Å; A543-M547 WeakPolarHBondContact O-CG 3.15Å; A543-M547 PolarHBondContact O-N 3.13Å; K544-M547 PolarHBondContact O-N 3.38Å; H545-M547 VanDerWaalsContact C-N 3.32Å; H545-M547 PolarHBondContact O-N 3.23Å; M547-H550 PolarHBondContact O-N 3.45Å; M547-L551 VanDerWaalsContact O-CB 3.22Å; M547-L551 WeakPolarHBondContact O-CB 3.44Å; M547-L551 PolarHBondContact O-N 2.89Å
548	Q	82.7	Confident	73.9	Confident	79 Å²	79	86.9 Å²	86.9	37%	0.369	49%	0.488	S	S	.	.	H	α-helix	trans	-61.3	-47	175.9	-176.2	174.5	-0.3	0	0	111.2	K544 H545 V546 H550 L551 H552	K544-Q548 WeakPolarHBondContact O-CB 3.16Å; K544-Q548 PolarHBondContact O-N 2.88Å; H545-Q548 WeakPolarHBondContact O-CB 3.11Å; H545-Q548 PolarHBondContact O-N 2.82Å; V546-Q548 PolarHBondContact O-N 2.9Å; Q548-H550 VanDerWaalsContact C-N 3.32Å; Q548-H550 PolarHBondContact O-N 3.3Å; Q548-L551 PolarHBondContact O-N 3.48Å; Q548-H552 VanDerWaalsContact CG-CD2 3.47Å; Q548-H552 WeakPolarHBondContact CG-CD2 3.42Å; Q548-H552 PolarHBondContact O-CD2 3.21Å; Q548-H552 PolarHBondContact O-N 3.04Å
549	V	79.3	Confident	72.3	Confident	63 Å²	63	84.8 Å²	84.8	38%	0.382	49%	0.485	S	S	.	.	H	α-helix	trans	-60.5	-40.7	176.8	174	0	0	0	0	111.7	H545 V546	H545-V549 WeakPolarHBondContact O-CG2 3.41Å; H545-V549 PolarHBondContact O-N 2.88Å; V546-V549 PolarHBondContact O-N 2.58Å
550	H	81	Confident	70.1	Confident	143 Å²	143	86.8 Å²	86.8	66%	0.662	50%	0.496	S	S	*	.	H	α-helix	trans	-75.2	-33.3	178.2	-77.8	-62.9	0	0	0	113.7	V546 M547 Q548	V546-H550 PolarHBondContact O-CD2 3.21Å; V546-H550 PolarHBondContact O-N 2.82Å; M547-H550 PolarHBondContact O-N 3.45Å; Q548-H550 VanDerWaalsContact C-N 3.32Å; Q548-H550 PolarHBondContact O-N 3.3Å
551	L	78.2	Confident	67.7	Low	141 Å²	141	88.2 Å²	88.2	74%	0.738	51%	0.508	S	S	*	.	H	α-helix	trans	-69	-42.1	178.9	-166.7	85.4	0	0	0	111.2	M547 Q548 G553	M547-L551 VanDerWaalsContact O-CB 3.22Å; M547-L551 WeakPolarHBondContact O-CB 3.44Å; M547-L551 PolarHBondContact O-N 2.89Å; Q548-L551 PolarHBondContact O-N 3.48Å; L551-G553 PolarHBondContact O-N 3.4Å
552	H	68	Low	65.4	Low	56 Å²	56	94.2 Å²	94.2	26%	0.259	54%	0.535	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.4	18.1	-179.8	-62.7	-60.9	0	0	0	113.7	Q548 N554 D555	Q548-H552 VanDerWaalsContact CG-CD2 3.47Å; Q548-H552 WeakPolarHBondContact CG-CD2 3.42Å; Q548-H552 PolarHBondContact O-CD2 3.21Å; Q548-H552 PolarHBondContact O-N 3.04Å; H552-N554 PolarHBondContact O-N 2.79Å; H552-D555 PolarHBondContact O-N 2.75Å; H552-D555 VanDerWaalsContact O-N 3.07Å
553	G	55.9	Low	63.3	Low	50 Å²	50	95.5 Å²	95.5	52%	0.515	54%	0.542	S	S	.	.	T	Hydrogen-bonded Turn	trans	-33.4	106.6	-172.6	0	0	0	0	0	114.2	L551 D555	L551-G553 PolarHBondContact O-N 3.4Å; G553-D555 PolarHBondContact O-N 3.04Å
554	N	56.6	Low	60.8	Low	170 Å²	170	99.8 Å²	99.8	91%	0.909	56%	0.562	S	S	*	*	T	Hydrogen-bonded Turn	trans	57.3	2.6	176.5	-86.9	4.2	0	0	0	118.9	H552 P556	H552-N554 PolarHBondContact O-N 2.79Å; N554-P556 WeakPolarHBondContact O-CD 3.27Å
555	D	50.9	Low	58.4	Low	117 Å²	117	95.3 Å²	95.3	63%	0.626	56%	0.561	S	S	*	*			trans	-88.7	107.6	176.3	-85.4	-18.6	0	0	0	111	H552 G553 A557 G558	H552-D555 PolarHBondContact O-N 2.75Å; H552-D555 VanDerWaalsContact O-N 3.07Å; G553-D555 PolarHBondContact O-N 3.04Å; D555-A557 PolarHBondContact O-N 3.46Å; D555-G558 PolarHBondContact O-N 3.21Å
556	P	52.3	Low	56.7	Low	105 Å²	105	95.3 Å²	95.3	68%	0.682	57%	0.565	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.4	-8.4	179.2	28.6	-35.5	0	0	0	113.3	N554 N560	N554-P556 WeakPolarHBondContact O-CD 3.27Å; P556-N560 PolarHBondContact O-ND2 2.91Å
557	A	45.1	Very low	55	Low	75 Å²	75	97 Å²	97	62%	0.62	58%	0.58	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.8	-19.7	179.9	0	0	0	0	0	113.7	D555	D555-A557 PolarHBondContact O-N 3.46Å
558	G	41.6	Very low	53.9	Low	25 Å²	25	94.6 Å²	94.6	26%	0.258	57%	0.57	S	S	.	*	T	Hydrogen-bonded Turn	trans	-82.6	-28.2	-173.3	0	0	0	0	0	114.9	D555 N560	D555-G558 PolarHBondContact O-N 3.21Å; G558-N560 VanDerWaalsContact C-N 3.35Å
559	I	47.9	Very low	53.4	Low	76 Å²	76	95.4 Å²	95.4	39%	0.39	57%	0.573	S	S	.	*	G	3₁₀ helix	trans	-72.8	-31.3	-179.6	-62.5	172.3	0	0	0	110.8	A561	I559-A561 PolarHBondContact O-N 3.01Å
560	N	41.5	Very low	53.2	Low	114 Å²	114	93 Å²	93	61%	0.61	56%	0.559	S	S	*	*	G	3₁₀ helix	trans	-81.2	-11	-174.3	-65.1	-23.5	0	0	0	114.6	P556 G558	P556-N560 PolarHBondContact O-ND2 2.91Å; G558-N560 VanDerWaalsContact C-N 3.35Å
561	A	41.2	Very low	53.2	Low	79 Å²	79	89.9 Å²	89.9	65%	0.653	55%	0.551	S	S	*	*	G	3₁₀ helix	trans	-95	-12.8	-166.7	0	0	0	0	0	115.3	I559	I559-A561 PolarHBondContact O-N 3.01Å
562	M	39.2	Very low	53.3	Low	179 Å²	179	86.3 Å²	86.3	88%	0.882	53%	0.532	S	S	*	.	T	Hydrogen-bonded Turn	trans	-134.3	-14.3	176.9	-81.4	-166.5	171.9	0	0	115.6
563	D	41.2	Very low	53.7	Low	93 Å²	93	87 Å²	87	50%	0.497	54%	0.543	S	S	.	.			trans	-106.2	73.9	166.5	-88.2	-30.2	0	0	0	110.2	G565 S566	D563-G565 PolarHBondContact O-N 3.36Å; D563-S566 PolarHBondContact O-N 2.64Å; D563-S566 PolarHBondContact O-OG 3.06Å
564	T	33.3	Very low	55	Low	143 Å²	143	86.7 Å²	86.7	88%	0.877	53%	0.531	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.1	20.1	173.8	-4.9	0	0	0	0	114.4
565	G	38	Very low	56.3	Low	64 Å²	64	78.8 Å²	78.8	66%	0.66	49%	0.489	S	S	*	.	T	Hydrogen-bonded Turn	trans	-126.6	-0	-179.3	0	0	0	0	0	115.4	D563	D563-G565 PolarHBondContact O-N 3.36Å
566	S	47.4	Very low	57.9	Low	39 Å²	39	76.3 Å²	76.3	27%	0.273	47%	0.471	S	S	.	.			trans	-104.4	32.2	180	62.9	0	0	0	0	113.6	D563 D568	D563-S566 PolarHBondContact O-N 2.64Å; D563-S566 PolarHBondContact O-OG 3.06Å; S566-D568 PolarHBondContact O-N 3.49Å
567	S	49.8	Very low	59.3	Low	101 Å²	101	75.7 Å²	75.7	71%	0.706	46%	0.455	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.3	1	173.3	53.8	0	0	0	0	114.3	R344	R344-S567 PolarHBondContact NH2-O 3.38Å
568	D	61	Low	61.3	Low	74 Å²	74	72.1 Å²	72.1	40%	0.396	43%	0.426	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.2	-0.9	-172	-72.8	-21.4	0	0	0	114.4	R344 S566 I570	R344-D568 WeakPolarHBondContact CD-O 3.43Å; R344-D568 HydrophobicContact CG-CB 4.3Å; R344-D568 WeakPolarHBondContact CG-O 3.25Å; R344-D568 IonicContact CZ-OD1 3.32Å; R344-D568 PolarHBondContact NE-O 3.05Å; R344-D568 IonicContact NH1-OD1 2.65Å; R344-D568 PolarHBondContact NH2-O 3.25Å; R344-D568 IonicContact NH2-OD1 2.93Å; S566-D568 PolarHBondContact O-N 3.49Å; D568-I570 PolarHBondContact O-N 3.3Å
569	E	71.7	Confident	63.4	Low	96 Å²	96	71 Å²	71	45%	0.449	41%	0.413	S	S	.	.	P	Polyproline II helix	trans	-72.7	129.3	177.4	-64	-173.2	177.4	0	0	111.6
570	I	76.3	Confident	65	Low	14 Å²	14	67.9 Å²	67.9	7%	0.072	40%	0.399	C	S	.	.	P	Polyproline II helix	trans	-86.4	127.5	178.8	-60.3	162.2	0	0	0	108.4	L335 I341 R344 L345 S348 D568 T574 L575	L335-I570 HydrophobicContact CD1-CD1 4.19Å; L335-I570 HydrophobicContact CD1-CG1 4.4Å; L335-I570 HydrophobicContact CD2-CD1 4.09Å; L335-I570 HydrophobicContact CD2-CG2 4.5Å; I341-I570 HydrophobicContact CD1-CD1 4.3Å; R344-I570 HydrophobicContact CG-CD1 4.04Å; R344-I570 HydrophobicContact CG-CG1 4.24Å; L345-I570 HydrophobicContact CD2-CD1 3.86Å; L345-I570 HydrophobicContact CG-CD1 4.41Å; S348-I570 PolarHBondContact OG-N 3.43Å; D568-I570 PolarHBondContact O-N 3.3Å; I570-T574 HydrophobicContact CG2-CG2 4.22Å; I570-L575 HydrophobicContact CG2-CB 4.13Å
571	P	81	Confident	67.1	Low	76 Å²	76	62.7 Å²	62.7	49%	0.494	37%	0.371	S	S	.	.	P	Polyproline II helix	trans	-55.7	141.9	174	-24.9	33.7	0	0	0	112.2	S573 T574 L575	P571-S573 PolarHBondContact O-N 2.94Å; P571-S573 VanDerWaalsContact O-N 3.16Å; P571-T574 PolarHBondContact O-N 3.47Å; P571-T574 VanDerWaalsContact O-N 3.11Å; P571-L575 PolarHBondContact O-N 2.93Å
572	L	80.7	Confident	69.3	Low	66 Å²	66	59 Å²	59	35%	0.346	34%	0.34	S	S	.	.	H	α-helix	trans	-57.4	-33.8	-177.4	-150.7	104.3	0	0	0	112.9	F403 R406 C407 R576	F403-L572 HydrophobicContact CE1-CD1 4.41Å; F403-L572 HydrophobicContact CE2-CD1 3.72Å; F403-L572 HydrophobicContact CZ-CD1 3.56Å; R406-L572 HydrophobicContact CB-CD2 4.3Å; C407-L572 WeakPolarHBondContact SG-CD1 3.47Å; L572-R576 WeakPolarHBondContact O-CB 3.36Å; L572-R576 WeakPolarHBondContact O-CG 3.3Å; L572-R576 PolarHBondContact O-N 3.14Å
573	S	76.5	Confident	71.5	Confident	70 Å²	70	52.6 Å²	52.6	49%	0.49	31%	0.307	S	S	.	.	H	α-helix	trans	-66.2	-48.7	176.6	49.2	0	0	0	0	111.8	P571 L575 R576 R577	P571-S573 PolarHBondContact O-N 2.94Å; P571-S573 VanDerWaalsContact O-N 3.16Å; S573-L575 VanDerWaalsContact C-N 3.32Å; S573-L575 PolarHBondContact O-N 3.39Å; S573-R576 WeakPolarHBondContact O-CB 3.35Å; S573-R576 PolarHBondContact O-N 3.06Å; S573-R577 WeakPolarHBondContact O-CG 3.47Å; S573-R577 PolarHBondContact O-N 2.87Å; S573-R577 VanDerWaalsContact O-N 3.08Å
574	T	82.3	Confident	73.3	Confident	44 Å²	44	54.4 Å²	54.4	27%	0.27	31%	0.312	S	S	.	.	H	α-helix	trans	-62.2	-42.2	175.9	-47.7	0	0	0	0	110.7	L332 I570 P571 R576 R577 F578	L332-T574 HydrophobicContact CD2-CG2 4.07Å; I570-T574 HydrophobicContact CG2-CG2 4.22Å; P571-T574 PolarHBondContact O-N 3.47Å; P571-T574 VanDerWaalsContact O-N 3.11Å; T574-R576 PolarHBondContact O-N 3.24Å; T574-R577 PolarHBondContact O-N 3.48Å; T574-F578 VanDerWaalsContact O-CB 3.28Å; T574-F578 WeakPolarHBondContact O-CB 3.28Å; T574-F578 PolarHBondContact O-N 3.06Å
575	L	84.7	Confident	75.6	Confident	5 Å²	5	54.4 Å²	54.4	3%	0.026	30%	0.296	C	S	.	.	H	α-helix	trans	-61.5	-43.3	177.4	-173.5	149.4	0	0	0	111.9	L345 C407 I570 P571 S573 F578 I579	L345-L575 HydrophobicContact CD2-CD1 4.31Å; C407-L575 HydrophobicContact CB-CD2 4Å; I570-L575 HydrophobicContact CG2-CB 4.13Å; P571-L575 PolarHBondContact O-N 2.93Å; S573-L575 VanDerWaalsContact C-N 3.32Å; S573-L575 PolarHBondContact O-N 3.39Å; L575-F578 PolarHBondContact O-N 3.37Å; L575-I579 HydrophobicContact CD2-CD1 3.41Å; L575-I579 VanDerWaalsContact CD2-CD1 3.41Å; L575-I579 HydrophobicContact CD2-CG1 4.36Å; L575-I579 HydrophobicContact CG-CD1 4.33Å; L575-I579 VanDerWaalsContact O-CG1 3.32Å; L575-I579 WeakPolarHBondContact O-CG1 3.49Å; L575-I579 PolarHBondContact O-N 3.46Å
576	R	83.4	Confident	77.8	Confident	64 Å²	64	52.1 Å²	52.1	24%	0.242	27%	0.27	C	S	.	.	H	α-helix	trans	-59	-49	174.2	-88.7	178.6	140.2	172.9	2.2	112.5	R406 C407 S408 L572 S573 T574 F578 I579 A580	R406-R576 PolarHBondContact O-NE 3.37Å; R406-R576 PolarHBondContact O-NH1 3.31Å; R406-R576 PolarHBondContact O-NH2 2.91Å; C407-R576 WeakPolarHBondContact O-CG 3.27Å; S408-R576 PolarHBondContact O-NE 3.2Å; S408-R576 PolarHBondContact O-NH2 3.41Å; L572-R576 WeakPolarHBondContact O-CB 3.36Å; L572-R576 WeakPolarHBondContact O-CG 3.3Å; L572-R576 PolarHBondContact O-N 3.14Å; S573-R576 WeakPolarHBondContact O-CB 3.35Å; S573-R576 PolarHBondContact O-N 3.06Å; T574-R576 PolarHBondContact O-N 3.24Å; R576-F578 VanDerWaalsContact C-N 3.32Å; R576-I579 PolarHBondContact O-N 3.03Å; R576-A580 PolarHBondContact O-N 3.43Å; R576-A580 VanDerWaalsContact O-N 3.09Å
577	R	81	Confident	79.6	Confident	92 Å²	92	52.4 Å²	52.4	35%	0.347	28%	0.279	S	S	.	.	H	α-helix	trans	-63.1	-40.5	177.8	-68.4	177.6	-174.1	179.7	-3.6	111.3	S312 E328 S573 T574 A580 F581	S312-R577 PolarHBondContact OG-NE 2.88Å; E328-R577 IonicContact OE1-CZ 3.53Å; E328-R577 IonicContact OE1-NH1 3.55Å; E328-R577 PolarHBondContact OE1-NH1 2.93Å; S573-R577 WeakPolarHBondContact O-CG 3.47Å; S573-R577 PolarHBondContact O-N 2.87Å; S573-R577 VanDerWaalsContact O-N 3.08Å; T574-R577 PolarHBondContact O-N 3.48Å; R577-A580 WeakPolarHBondContact O-CB 3.1Å; R577-A580 PolarHBondContact O-N 3.36Å; R577-F581 WeakPolarHBondContact O-CB 3.41Å; R577-F581 PolarHBondContact O-N 2.72Å
578	F	87.2	Confident	81.6	Confident	1 Å²	1	47.6 Å²	47.6	0%	0.004	25%	0.245	C	C	.	.	H	α-helix	trans	-62.5	-46.7	177	-175.3	-118.4	0	0	0	112.7	L332 A336 L345 F368 T574 L575 R576 A580 F581 A582 M642	L332-F578 HydrophobicContact CB-CD2 4.14Å; L332-F578 HydrophobicContact CD2-CB 3.93Å; L332-F578 HydrophobicContact CD2-CD2 3.98Å; L332-F578 HydrophobicContact CD2-CG 4.4Å; L332-F578 HydrophobicContact CG-CD2 4.45Å; A336-F578 HydrophobicContact CB-CE2 4.03Å; A336-F578 HydrophobicContact CB-CZ 4.06Å; L345-F578 HydrophobicContact CD1-CE1 4.3Å; L345-F578 HydrophobicContact CD2-CD1 4.46Å; F368-F578 AromaticContact CE1-CD1 3.82Å; F368-F578 HydrophobicContact CE1-CD1 3.82Å; F368-F578 AromaticContact CE1-CE1 3.64Å; F368-F578 HydrophobicContact CE1-CE1 3.64Å; F368-F578 HydrophobicContact CE1-CZ 4.46Å; F368-F578 AromaticContact CZ-CD1 3.59Å; F368-F578 HydrophobicContact CZ-CD1 3.59Å; F368-F578 AromaticContact CZ-CE1 3.48Å; F368-F578 HydrophobicContact CZ-CE1 3.48Å; F368-F578 VanDerWaalsContact CZ-CE1 3.48Å; T574-F578 VanDerWaalsContact O-CB 3.28Å; T574-F578 WeakPolarHBondContact O-CB 3.28Å; T574-F578 PolarHBondContact O-N 3.06Å; L575-F578 PolarHBondContact O-N 3.37Å; R576-F578 VanDerWaalsContact C-N 3.32Å; F578-A580 VanDerWaalsContact C-N 3.31Å; F578-A580 PolarHBondContact O-N 3.43Å; F578-F581 PolarHBondContact O-N 2.98Å; F578-A582 VanDerWaalsContact O-CB 3.3Å; F578-A582 WeakPolarHBondContact O-CB 3.42Å; F578-A582 PolarHBondContact O-N 3.45Å; F578-M642 WeakPolarHBondContact CZ-O 3.37Å
579	I	87	Confident	83	Confident	0 Å²	0	48.7 Å²	48.7	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-59.9	-44	176	-69	163.4	0	0	0	110.8	L367 F368 P409 L575 R576 R583	L367-I579 HydrophobicContact CB-CD1 3.88Å; L367-I579 HydrophobicContact CB-CG1 4.47Å; L367-I579 HydrophobicContact CD1-CD1 3.98Å; L367-I579 HydrophobicContact CD2-CD1 4.37Å; L367-I579 HydrophobicContact CG-CD1 4.31Å; L367-I579 WeakPolarHBondContact O-CG2 3.45Å; F368-I579 HydrophobicContact CE1-CG1 4.15Å; F368-I579 HydrophobicContact CE2-CG1 4.29Å; F368-I579 HydrophobicContact CZ-CG1 3.95Å; P409-I579 HydrophobicContact CG-CG2 4.08Å; L575-I579 HydrophobicContact CD2-CD1 3.41Å; L575-I579 VanDerWaalsContact CD2-CD1 3.41Å; L575-I579 HydrophobicContact CD2-CG1 4.36Å; L575-I579 HydrophobicContact CG-CD1 4.33Å; L575-I579 VanDerWaalsContact O-CG1 3.32Å; L575-I579 WeakPolarHBondContact O-CG1 3.49Å; L575-I579 PolarHBondContact O-N 3.46Å; R576-I579 PolarHBondContact O-N 3.03Å; I579-R583 HydrophobicContact CG2-CG 4.43Å; I579-R583 WeakPolarHBondContact O-CB 3.13Å; I579-R583 VanDerWaalsContact O-CG 3.29Å; I579-R583 WeakPolarHBondContact O-CG 3.5Å; I579-R583 PolarHBondContact O-N 3.04Å
580	A	81.2	Confident	84	Confident	11 Å²	11	46 Å²	46	9%	0.091	23%	0.232	C	C	.	.	H	α-helix	trans	-58.7	-51.3	177.6	0	0	0	0	0	111.6	S308 P409 R576 R577 F578 R583 E584	S308-A580 WeakPolarHBondContact OG-CB 3.33Å; P409-A580 HydrophobicContact CG-CB 4.49Å; R576-A580 PolarHBondContact O-N 3.43Å; R576-A580 VanDerWaalsContact O-N 3.09Å; R577-A580 WeakPolarHBondContact O-CB 3.1Å; R577-A580 PolarHBondContact O-N 3.36Å; F578-A580 VanDerWaalsContact C-N 3.31Å; F578-A580 PolarHBondContact O-N 3.43Å; A580-R583 PolarHBondContact O-N 3.43Å; A580-E584 PolarHBondContact O-N 3.02Å; A580-E584 VanDerWaalsContact O-N 3.14Å
581	F	85.3	Confident	84.8	Confident	6 Å²	6	46.7 Å²	46.7	3%	0.026	24%	0.238	C	C	.	.	H	α-helix	trans	-60.3	-48.1	179.7	179.7	-98.7	0	0	0	112.3	L324 E329 L332 I333 R577 F578 R583 E584 R585 L644	L324-F581 HydrophobicContact CD1-CD2 4.25Å; L324-F581 HydrophobicContact CD2-CD2 3.42Å; L324-F581 VanDerWaalsContact CD2-CD2 3.42Å; L324-F581 HydrophobicContact CD2-CE2 3.68Å; L324-F581 HydrophobicContact CD2-CG 4.18Å; L324-F581 HydrophobicContact CG-CD2 4.44Å; E329-F581 HydrophobicContact CG-CE2 3.79Å; E329-F581 HydrophobicContact CG-CZ 3.75Å; L332-F581 HydrophobicContact CD1-CB 3.87Å; L332-F581 HydrophobicContact CD1-CD1 4.27Å; L332-F581 HydrophobicContact CD1-CD2 4.4Å; L332-F581 HydrophobicContact CD1-CG 3.95Å; I333-F581 HydrophobicContact CG1-CE1 4.32Å; I333-F581 HydrophobicContact CG1-CZ 4.31Å; R577-F581 WeakPolarHBondContact O-CB 3.41Å; R577-F581 PolarHBondContact O-N 2.72Å; F578-F581 PolarHBondContact O-N 2.98Å; F581-R583 VanDerWaalsContact C-N 3.34Å; F581-R583 PolarHBondContact O-N 3.36Å; F581-E584 PolarHBondContact O-N 2.95Å; F581-E584 VanDerWaalsContact O-N 3.16Å; F581-R585 VanDerWaalsContact CE2-CD 3.47Å; F581-R585 HydrophobicContact CE2-CG 4.38Å; F581-R585 VanDerWaalsContact CE2-CZ 3.43Å; F581-R585 VanDerWaalsContact CZ-CD 3.46Å; F581-R585 PolarHBondContact O-N 3.35Å; F581-R585 VanDerWaalsContact O-N 3.1Å; F581-L644 HydrophobicContact CD1-CD1 4.41Å; F581-L644 HydrophobicContact CD1-CD2 4.4Å; F581-L644 HydrophobicContact CE1-CD1 3.88Å; F581-L644 HydrophobicContact CE1-CD2 4.42Å
582	A	87.2	Confident	85.4	Confident	0 Å²	0	50.7 Å²	50.7	0%	0	25%	0.25	C	S	.	.	H	α-helix	trans	-64.6	-37.1	-179.4	0	0	0	0	0	112.4	F368 F578 E584 C586 K641 L644	F368-A582 HydrophobicContact CD1-CB 3.71Å; F368-A582 HydrophobicContact CE1-CB 3.67Å; F578-A582 VanDerWaalsContact O-CB 3.3Å; F578-A582 WeakPolarHBondContact O-CB 3.42Å; F578-A582 PolarHBondContact O-N 3.45Å; A582-E584 VanDerWaalsContact C-N 3.33Å; A582-C586 WeakPolarHBondContact O-CB 3.29Å; A582-C586 PolarHBondContact O-N 2.93Å; A582-K641 HydrophobicContact CB-CG 4.33Å; A582-L644 HydrophobicContact CB-CD2 3.79Å
583	R	84.7	Confident	86	Confident	46 Å²	46	53.6 Å²	53.6	17%	0.174	26%	0.262	C	S	.	.	H	α-helix	trans	-67.5	-31.1	174.7	-77.4	178.5	172.8	-152.7	-3.4	113	P305 L366 L367 F368 G449 I579 A580 F581	P305-R583 HydrophobicContact CB-CB 4.07Å; P305-R583 HydrophobicContact CG-CB 4.18Å; L366-R583 PolarHBondContact O-NH2 2.88Å; L367-R583 PolarHBondContact O-NE 2.82Å; L367-R583 PolarHBondContact O-NH2 3.16Å; F368-R583 WeakPolarHBondContact O-CG 3.21Å; F368-R583 PolarHBondContact O-NE 3.3Å; G449-R583 PolarHBondContact O-NH1 2.82Å; I579-R583 HydrophobicContact CG2-CG 4.43Å; I579-R583 WeakPolarHBondContact O-CB 3.13Å; I579-R583 VanDerWaalsContact O-CG 3.29Å; I579-R583 WeakPolarHBondContact O-CG 3.5Å; I579-R583 PolarHBondContact O-N 3.04Å; A580-R583 PolarHBondContact O-N 3.43Å; F581-R583 VanDerWaalsContact C-N 3.34Å; F581-R583 PolarHBondContact O-N 3.36Å
584	E	79	Confident	86.8	Confident	131 Å²	131	50.2 Å²	50.2	61%	0.612	24%	0.239	S	C	*	.	H	α-helix	trans	-79	-46.8	-176.8	-169.2	173.3	179	0	0	112.6	P305 A580 F581 A582	P305-E584 VanDerWaalsContact CG-CA 3.4Å; P305-E584 HydrophobicContact CG-CB 3.66Å; P305-E584 HydrophobicContact CG-CG 4.09Å; A580-E584 PolarHBondContact O-N 3.02Å; A580-E584 VanDerWaalsContact O-N 3.14Å; F581-E584 PolarHBondContact O-N 2.95Å; F581-E584 VanDerWaalsContact O-N 3.16Å; A582-E584 VanDerWaalsContact C-N 3.33Å
585	R	83.1	Confident	87.2	Confident	143 Å²	143	50.4 Å²	50.4	54%	0.54	25%	0.245	S	C	.	.	H	α-helix	trans	-90.1	-32.7	-170.5	-64.3	-165.3	177.4	-153.2	10	114.3	E329 F581	E329-R585 IonicContact OE1-CZ 3.58Å; E329-R585 IonicContact OE1-NH1 3.91Å; E329-R585 PolarHBondContact OE1-NH1 3.42Å; E329-R585 IonicContact OE1-NH2 3.53Å; E329-R585 PolarHBondContact OE1-NH2 3.27Å; E329-R585 IonicContact OE2-CZ 3.52Å; E329-R585 IonicContact OE2-NH1 3.71Å; E329-R585 IonicContact OE2-NH2 2.76Å; E329-R585 PolarHBondContact OE2-NH2 3.04Å; F581-R585 VanDerWaalsContact CE2-CD 3.47Å; F581-R585 HydrophobicContact CE2-CG 4.38Å; F581-R585 VanDerWaalsContact CE2-CZ 3.43Å; F581-R585 VanDerWaalsContact CZ-CD 3.46Å; F581-R585 PolarHBondContact O-N 3.35Å; F581-R585 VanDerWaalsContact O-N 3.1Å
586	C	82.7	Confident	87.6	Confident	16 Å²	16	55.8 Å²	55.8	11%	0.108	27%	0.27	C	S	.	.			trans	-107.1	119.1	-167.9	-170.1	0	0	0	0	111.7	A582 P588 K641 L644 A645	A582-C586 WeakPolarHBondContact O-CB 3.29Å; A582-C586 PolarHBondContact O-N 2.93Å; C586-P588 WeakPolarHBondContact O-CD 3.22Å; C586-K641 HydrophobicContact CB-CG 4.07Å; C586-K641 VanDerWaalsContact O-CE 3.28Å; C586-K641 WeakPolarHBondContact O-CE 3.33Å; C586-L644 HydrophobicContact CB-CD2 4.37Å; C586-A645 PolarHBondContact SG-O 3.39Å
587	G	87.1	Confident	88.1	Confident	45 Å²	45	54.7 Å²	54.7	46%	0.464	27%	0.267	S	S	.	.			trans	-120.4	73.7	175	0	0	0	0	0	111.5
588	P	91.3	Very high	88.6	Confident	0 Å²	0	50.6 Å²	50.6	0%	0	25%	0.252	C	S	.	.			trans	-65.5	156.6	-167.2	21.9	-29.3	0	0	0	113.6	C586 E637 A640 K641 A646	C586-P588 WeakPolarHBondContact O-CD 3.22Å; P588-E637 HydrophobicContact CG-CB 4.03Å; P588-E637 HydrophobicContact CG-CG 4.46Å; P588-E637 WeakPolarHBondContact CG-O 3.28Å; P588-A640 HydrophobicContact CB-CB 3.87Å; P588-A640 HydrophobicContact CG-CB 4.25Å; P588-K641 HydrophobicContact CG-CB 4.12Å; P588-A646 VanDerWaalsContact CA-O 3.26Å; P588-A646 WeakPolarHBondContact CA-O 3.45Å
589	R	90.6	Very high	88.8	Confident	97 Å²	97	53.3 Å²	53.3	37%	0.366	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	158.6	174.6	-66.3	-69.6	-179.8	-112.5	4.6	109.8	S371 A646 F647 A648	S371-R589 PolarHBondContact OG-NH1 2.86Å; R589-A646 PolarHBondContact N-O 2.92Å; R589-F647 HydrophobicContact CB-CD1 4.4Å; R589-F647 CarbonylContact O-C 3.58Å; R589-F647 VanDerWaalsContact O-CA 3.24Å; R589-F647 WeakPolarHBondContact O-CA 3.21Å; R589-A648 PolarHBondContact O-N 3.05Å
590	L	91	Very high	89	Confident	39 Å²	39	58.1 Å²	58.1	20%	0.204	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	142.9	176.6	-78.2	79.4	0	0	0	110	L598 I633 E637	L590-L598 HydrophobicContact CD2-CD1 3.28Å; L590-I633 HydrophobicContact CD1-CG2 3.7Å; L590-I633 HydrophobicContact CD2-CG1 4.08Å; L590-E637 HydrophobicContact CD1-CG 3.95Å
591	S	93.9	Very high	89.4	Confident	29 Å²	29	60.8 Å²	60.8	20%	0.203	31%	0.307	C	S	.	.			trans	-72.7	158.7	164.8	69.5	0	0	0	0	110.9	Q593 A594 A595 A648	S591-Q593 VanDerWaalsContact C-N 3.34Å; S591-Q593 PolarHBondContact O-N 2.98Å; S591-A594 PolarHBondContact O-N 3.41Å; S591-A594 WeakPolarHBondContact OG-CB 3.31Å; S591-A594 PolarHBondContact OG-N 3.11Å; S591-A595 PolarHBondContact O-N 3.31Å; S591-A648 WeakPolarHBondContact CB-O 3.39Å; S591-A648 PolarHBondContact N-O 3.43Å; S591-A648 PolarHBondContact OG-O 2.71Å; S591-A648 VanDerWaalsContact OG-O 3.11Å
592	E	93.2	Very high	89.5	Confident	160 Å²	160	61.7 Å²	61.7	75%	0.748	31%	0.31	S	S	*	.	H	α-helix	trans	-60.8	-44.1	178.2	-174.3	169.7	-159.1	0	0	111.7	A594 A595 E596	E592-A594 PolarHBondContact O-N 3.09Å; E592-A595 WeakPolarHBondContact O-CB 3.42Å; E592-A595 PolarHBondContact O-N 3.41Å; E592-A595 VanDerWaalsContact O-N 3.08Å; E592-E596 PolarHBondContact O-N 3.45Å
593	Q	93.5	Very high	89.7	Confident	126 Å²	126	66.1 Å²	66.1	59%	0.589	34%	0.337	S	S	*	.	H	α-helix	trans	-57.9	-44.8	174.6	-70.1	177	-10.2	0	0	112.6	S591 A595 E596 K597 E650	S591-Q593 VanDerWaalsContact C-N 3.34Å; S591-Q593 PolarHBondContact O-N 2.98Å; Q593-A595 VanDerWaalsContact C-N 3.29Å; Q593-A595 PolarHBondContact O-N 2.89Å; Q593-E596 PolarHBondContact O-N 2.98Å; Q593-K597 WeakPolarHBondContact O-CB 3.24Å; Q593-K597 PolarHBondContact O-N 3.42Å; Q593-K597 VanDerWaalsContact O-N 3.11Å; Q593-E650 HydrophobicContact CB-CG 4.06Å; Q593-E650 WeakPolarHBondContact CB-OE1 3.33Å
594	A	92.6	Very high	89.9	Confident	0 Å²	0	68.9 Å²	68.9	0%	0	36%	0.355	C	S	.	.	H	α-helix	trans	-62.9	-37.2	176	0	0	0	0	0	111.8	S591 E592 L598 V653	S591-A594 PolarHBondContact O-N 3.41Å; S591-A594 WeakPolarHBondContact OG-CB 3.31Å; S591-A594 PolarHBondContact OG-N 3.11Å; E592-A594 PolarHBondContact O-N 3.09Å; A594-L598 WeakPolarHBondContact O-CB 3.34Å; A594-L598 VanDerWaalsContact O-CG 3.31Å; A594-L598 WeakPolarHBondContact O-CG 3.5Å; A594-L598 PolarHBondContact O-N 3.08Å; A594-V653 HydrophobicContact CB-CG2 3.82Å
595	A	92.2	Very high	90.1	Very high	48 Å²	48	63.6 Å²	63.6	40%	0.397	33%	0.33	S	S	.	.	H	α-helix	trans	-66.9	-44.5	178.3	0	0	0	0	0	112.4	S591 E592 Q593 L598 S599	S591-A595 PolarHBondContact O-N 3.31Å; E592-A595 WeakPolarHBondContact O-CB 3.42Å; E592-A595 PolarHBondContact O-N 3.41Å; E592-A595 VanDerWaalsContact O-N 3.08Å; Q593-A595 VanDerWaalsContact C-N 3.29Å; Q593-A595 PolarHBondContact O-N 2.89Å; A595-L598 PolarHBondContact O-N 3.49Å; A595-S599 WeakPolarHBondContact O-CB 3.35Å; A595-S599 PolarHBondContact O-N 3.28Å
596	E	93.3	Very high	90.2	Very high	117 Å²	117	63.2 Å²	63.2	55%	0.547	33%	0.329	S	S	.	.	H	α-helix	trans	-59.8	-47.2	175.4	-70.1	-174.8	171.1	0	0	111.2	E592 Q593 L598 S599 N600	E592-E596 PolarHBondContact O-N 3.45Å; Q593-E596 PolarHBondContact O-N 2.98Å; E596-L598 PolarHBondContact O-N 3.03Å; E596-S599 PolarHBondContact O-N 3.23Å; E596-S599 PolarHBondContact O-OG 3.44Å; E596-N600 PolarHBondContact O-N 2.81Å; E596-N600 PolarHBondContact O-ND2 3.2Å
597	K	92.3	Very high	90.4	Very high	42 Å²	42	65 Å²	65	18%	0.183	34%	0.342	C	S	.	.	H	α-helix	trans	-60.6	-45.9	178.4	-167.5	174	-163.2	160.6	0	112.7	Q593 S599 N600 Q601 E650 V653 E654	Q593-K597 WeakPolarHBondContact O-CB 3.24Å; Q593-K597 PolarHBondContact O-N 3.42Å; Q593-K597 VanDerWaalsContact O-N 3.11Å; K597-S599 VanDerWaalsContact C-N 3.31Å; K597-S599 PolarHBondContact O-N 3.31Å; K597-N600 PolarHBondContact O-N 3.01Å; K597-Q601 WeakPolarHBondContact O-CB 3.39Å; K597-Q601 WeakPolarHBondContact O-CG 3.41Å; K597-Q601 PolarHBondContact O-N 3.14Å; K597-E650 HydrophobicContact CD-CB 4.12Å; K597-E650 HydrophobicContact CD-CG 4.14Å; K597-E650 IonicContact NZ-OE2 3.9Å; K597-E650 PolarHBondContact NZ-OE2 3.41Å; K597-V653 HydrophobicContact CD-CG1 4.44Å; K597-E654 VanDerWaalsContact CE-OE1 3.29Å; K597-E654 WeakPolarHBondContact CE-OE1 3.35Å; K597-E654 IonicContact NZ-OE1 2.79Å; K597-E654 PolarHBondContact NZ-OE1 3.06Å
598	L	92.2	Very high	90.2	Very high	6 Å²	6	64.7 Å²	64.7	3%	0.031	34%	0.339	C	S	.	.	H	α-helix	trans	-60.4	-40.9	175.5	-79.3	174.1	0	0	0	112.2	L590 A594 A595 E596 Q601 Y602 L629 I632 I633 V653	L590-L598 HydrophobicContact CD2-CD1 3.28Å; A594-L598 WeakPolarHBondContact O-CB 3.34Å; A594-L598 VanDerWaalsContact O-CG 3.31Å; A594-L598 WeakPolarHBondContact O-CG 3.5Å; A594-L598 PolarHBondContact O-N 3.08Å; A595-L598 PolarHBondContact O-N 3.49Å; E596-L598 PolarHBondContact O-N 3.03Å; L598-Q601 PolarHBondContact O-N 3.49Å; L598-Y602 VanDerWaalsContact O-CB 3.26Å; L598-Y602 WeakPolarHBondContact O-CB 3.26Å; L598-Y602 PolarHBondContact O-N 3.37Å; L598-L629 HydrophobicContact CB-CD1 4.32Å; L598-I632 HydrophobicContact CD2-CB 4.42Å; L598-I632 HydrophobicContact CD2-CG2 3.42Å; L598-I632 VanDerWaalsContact CD2-CG2 3.42Å; L598-I633 HydrophobicContact CD1-CG1 4.1Å; L598-V653 HydrophobicContact CD1-CG2 3.95Å; L598-V653 HydrophobicContact CD2-CB 4.39Å; L598-V653 HydrophobicContact CD2-CG1 3.44Å; L598-V653 VanDerWaalsContact CD2-CG1 3.44Å; L598-V653 HydrophobicContact CD2-CG2 4.19Å; L598-V653 HydrophobicContact CG-CB 4.42Å; L598-V653 HydrophobicContact CG-CG1 3.63Å; L598-V653 HydrophobicContact CG-CG2 3.89Å
599	S	91.4	Very high	89.6	Confident	57 Å²	57	65.9 Å²	65.9	40%	0.399	35%	0.347	S	S	.	.	H	α-helix	trans	-62.9	-45.8	179.8	78.6	0	0	0	0	111.5	A595 E596 K597 Y602 V603	A595-S599 WeakPolarHBondContact O-CB 3.35Å; A595-S599 PolarHBondContact O-N 3.28Å; E596-S599 PolarHBondContact O-N 3.23Å; E596-S599 PolarHBondContact O-OG 3.44Å; K597-S599 VanDerWaalsContact C-N 3.31Å; K597-S599 PolarHBondContact O-N 3.31Å; S599-Y602 PolarHBondContact O-N 3.05Å; S599-V603 WeakPolarHBondContact O-CG2 3.38Å; S599-V603 PolarHBondContact O-N 3.33Å; S599-V603 VanDerWaalsContact O-N 3.09Å
600	N	92.5	Very high	89.1	Confident	102 Å²	102	64.2 Å²	64.2	55%	0.545	35%	0.347	S	S	.	.	H	α-helix	trans	-63.1	-46.5	178	-71.3	-28.1	0	0	0	111.3	E596 K597 Y602 V603 L604	E596-N600 PolarHBondContact O-N 2.81Å; E596-N600 PolarHBondContact O-ND2 3.2Å; K597-N600 PolarHBondContact O-N 3.01Å; N600-Y602 PolarHBondContact O-N 3.39Å; N600-V603 PolarHBondContact O-N 2.97Å; N600-L604 WeakPolarHBondContact O-CG 3.33Å; N600-L604 PolarHBondContact O-N 3.27Å
601	Q	88.3	Confident	88.7	Confident	67 Å²	67	69.6 Å²	69.6	31%	0.313	37%	0.365	S	S	.	.	H	α-helix	trans	-66.1	-38.3	179.8	-69.7	-65.7	-7.1	0	0	112.4	K597 L598 V603 L604 M605 L657	K597-Q601 WeakPolarHBondContact O-CB 3.39Å; K597-Q601 WeakPolarHBondContact O-CG 3.41Å; K597-Q601 PolarHBondContact O-N 3.14Å; L598-Q601 PolarHBondContact O-N 3.49Å; Q601-V603 PolarHBondContact O-N 3.49Å; Q601-L604 PolarHBondContact O-N 2.99Å; Q601-M605 WeakPolarHBondContact O-CG 3.38Å; Q601-M605 PolarHBondContact O-N 3.04Å; Q601-L657 HydrophobicContact CB-CD1 3.95Å; Q601-L657 HydrophobicContact CB-CD2 4.33Å; Q601-L657 HydrophobicContact CG-CD1 3.76Å
602	Y	88.7	Confident	87.9	Confident	24 Å²	24	71.2 Å²	71.2	9%	0.094	37%	0.367	C	S	.	.	H	α-helix	trans	-63.2	-41.4	174.9	174.4	-104.1	0	0	0	112.6	L598 S599 N600 M605 R606 I624 V626 L629	L598-Y602 VanDerWaalsContact O-CB 3.26Å; L598-Y602 WeakPolarHBondContact O-CB 3.26Å; L598-Y602 PolarHBondContact O-N 3.37Å; S599-Y602 PolarHBondContact O-N 3.05Å; N600-Y602 PolarHBondContact O-N 3.39Å; Y602-M605 PolarHBondContact O-N 3.28Å; Y602-R606 WeakPolarHBondContact O-CB 3.26Å; Y602-R606 PolarHBondContact O-N 3.42Å; Y602-I624 HydrophobicContact CD2-CG2 4.23Å; Y602-I624 HydrophobicContact CE2-CG2 3.75Å; Y602-V626 PolarHBondContact OH-N 3.42Å; Y602-L629 HydrophobicContact CD2-CB 4.01Å; Y602-L629 HydrophobicContact CD2-CD1 4.47Å; Y602-L629 HydrophobicContact CE2-CB 4.15Å; Y602-L629 HydrophobicContact CG-CB 4.48Å; Y602-L629 HydrophobicContact CG-CD1 4.3Å
603	V	89.8	Confident	87.2	Confident	94 Å²	94	67.4 Å²	67.4	57%	0.57	35%	0.349	S	S	*	.	H	α-helix	trans	-63.2	-43	175.2	173	0	0	0	0	110.9	S599 N600 Q601 R606 S607	S599-V603 WeakPolarHBondContact O-CG2 3.38Å; S599-V603 PolarHBondContact O-N 3.33Å; S599-V603 VanDerWaalsContact O-N 3.09Å; N600-V603 PolarHBondContact O-N 2.97Å; Q601-V603 PolarHBondContact O-N 3.49Å; V603-R606 PolarHBondContact O-N 3.32Å; V603-S607 WeakPolarHBondContact O-CB 3.41Å; V603-S607 PolarHBondContact O-N 3.21Å; V603-S607 PolarHBondContact O-OG 3.07Å; V603-S607 VanDerWaalsContact O-OG 3.11Å
604	L	88.5	Confident	86.6	Confident	104 Å²	104	68.6 Å²	68.6	55%	0.545	36%	0.355	S	S	.	.	H	α-helix	trans	-61.3	-47.9	175.2	-70.1	172.9	0	0	0	112	N600 Q601 R606 S607 G608	N600-L604 WeakPolarHBondContact O-CG 3.33Å; N600-L604 PolarHBondContact O-N 3.27Å; Q601-L604 PolarHBondContact O-N 2.99Å; L604-R606 PolarHBondContact O-N 2.77Å; L604-S607 PolarHBondContact O-N 3.1Å; L604-S607 PolarHBondContact O-OG 3.21Å; L604-G608 PolarHBondContact O-N 3.41Å
605	M	84.5	Confident	85.9	Confident	19 Å²	19	75.1 Å²	75.1	9%	0.094	39%	0.385	C	S	.	.	H	α-helix	trans	-60	-44.4	177.5	-71.4	-170.2	-68.7	0	0	112	Q601 Y602 G608 S609 I624 I632 L657 F660	Q601-M605 WeakPolarHBondContact O-CG 3.38Å; Q601-M605 PolarHBondContact O-N 3.04Å; Y602-M605 PolarHBondContact O-N 3.28Å; M605-G608 PolarHBondContact O-N 3.4Å; M605-S609 PolarHBondContact O-N 3.36Å; M605-I624 HydrophobicContact CB-CD1 3.99Å; M605-I624 WeakPolarHBondContact O-CD1 3.45Å; M605-I632 HydrophobicContact CE-CD1 3.87Å; M605-L657 HydrophobicContact CE-CD2 4.12Å; M605-F660 HydrophobicContact CE-CE1 4.44Å; M605-F660 HydrophobicContact SD-CD1 4.05Å; M605-F660 HydrophobicContact SD-CE1 3.94Å
606	R	85.6	Confident	85	Confident	135 Å²	135	75.6 Å²	75.6	51%	0.509	38%	0.383	S	S	.	.	H	α-helix	trans	-67.4	-41.5	-180	-173	173.3	-179.8	167.4	0.8	112.6	Y602 V603 L604 G608 S609 T610 I624	Y602-R606 WeakPolarHBondContact O-CB 3.26Å; Y602-R606 PolarHBondContact O-N 3.42Å; V603-R606 PolarHBondContact O-N 3.32Å; L604-R606 PolarHBondContact O-N 2.77Å; R606-G608 VanDerWaalsContact C-N 3.34Å; R606-S609 PolarHBondContact O-N 3.31Å; R606-T610 PolarHBondContact O-N 3.15Å; R606-T610 PolarHBondContact O-OG1 3.1Å; R606-I624 HydrophobicContact CB-CG2 4.45Å
607	S	86.6	Confident	83.8	Confident	55 Å²	55	73.2 Å²	73.2	39%	0.385	39%	0.391	S	S	.	.	H	α-helix	trans	-64.1	-39.8	175	64.6	0	0	0	0	111.6	V603 L604 T610 R611	V603-S607 WeakPolarHBondContact O-CB 3.41Å; V603-S607 PolarHBondContact O-N 3.21Å; V603-S607 PolarHBondContact O-OG 3.07Å; V603-S607 VanDerWaalsContact O-OG 3.11Å; L604-S607 PolarHBondContact O-N 3.1Å; L604-S607 PolarHBondContact O-OG 3.21Å; S607-T610 PolarHBondContact O-N 3.31Å; S607-R611 WeakPolarHBondContact O-CG 3.38Å; S607-R611 PolarHBondContact O-N 3.28Å
608	G	83	Confident	82.7	Confident	38 Å²	38	75.2 Å²	75.2	39%	0.392	40%	0.399	S	S	.	.	H	α-helix	trans	-59.4	-46.9	174.1	0	0	0	0	0	112.9	L604 M605 R606 T610 R611 Y612	L604-G608 PolarHBondContact O-N 3.41Å; M605-G608 PolarHBondContact O-N 3.4Å; R606-G608 VanDerWaalsContact C-N 3.34Å; G608-T610 VanDerWaalsContact C-N 3.34Å; G608-T610 PolarHBondContact O-N 2.86Å; G608-R611 PolarHBondContact O-N 2.8Å; G608-Y612 PolarHBondContact O-N 2.96Å
609	S	78.9	Confident	81.5	Confident	24 Å²	24	84.4 Å²	84.4	17%	0.168	43%	0.433	C	S	.	.	H	α-helix	trans	-64.5	-36.8	176.2	-176.2	0	0	0	0	112.9	M605 R606 Y612 E613 C620	M605-S609 PolarHBondContact O-N 3.36Å; R606-S609 PolarHBondContact O-N 3.31Å; S609-Y612 PolarHBondContact O-N 3.07Å; S609-E613 PolarHBondContact O-N 2.86Å; S609-C620 PolarHBondContact OG-SG 3.49Å; S609-C620 VanDerWaalsContact OG-SG 3.41Å
610	T	80.3	Confident	80.2	Confident	62 Å²	62	83 Å²	83	38%	0.38	42%	0.423	S	S	.	.	H	α-helix	trans	-67.7	-41.1	178.3	-53.7	0	0	0	0	110.9	R606 S607 G608 E613 Q614	R606-T610 PolarHBondContact O-N 3.15Å; R606-T610 PolarHBondContact O-OG1 3.1Å; S607-T610 PolarHBondContact O-N 3.31Å; G608-T610 VanDerWaalsContact C-N 3.34Å; G608-T610 PolarHBondContact O-N 2.86Å; T610-E613 PolarHBondContact O-N 2.78Å; T610-Q614 WeakPolarHBondContact O-CG 3.39Å; T610-Q614 PolarHBondContact O-N 3.13Å
611	R	82.7	Confident	78.8	Confident	152 Å²	152	80 Å²	80	57%	0.574	41%	0.413	S	S	*	.	H	α-helix	trans	-62.7	-43.7	174.8	-75.1	-177.2	60	-161.2	-9.9	111.6	S607 G608 E613 Q614 E615	S607-R611 WeakPolarHBondContact O-CG 3.38Å; S607-R611 PolarHBondContact O-N 3.28Å; G608-R611 PolarHBondContact O-N 2.8Å; R611-E613 VanDerWaalsContact C-N 3.33Å; R611-E613 PolarHBondContact O-N 3.01Å; R611-Q614 WeakPolarHBondContact O-CB 3.43Å; R611-Q614 PolarHBondContact O-N 3.27Å; R611-Q614 VanDerWaalsContact O-N 3.16Å; R611-E615 IonicContact NE-OE1 3.88Å; R611-E615 IonicContact NH2-OE1 3.82Å; R611-E615 PolarHBondContact NH2-OE1 3.45Å; R611-E615 WeakPolarHBondContact O-CB 3.32Å; R611-E615 WeakPolarHBondContact O-CG 3.42Å; R611-E615 PolarHBondContact O-N 2.85Å
612	Y	76	Confident	78	Confident	64 Å²	64	77.9 Å²	77.9	25%	0.251	40%	0.403	S	S	.	.	H	α-helix	trans	-60.4	-41.9	176.1	-177.5	-93.1	0	0	0	112.3	G608 S609 Q614 E615 T616 C620 S672	G608-Y612 PolarHBondContact O-N 2.96Å; S609-Y612 PolarHBondContact O-N 3.07Å; Y612-Q614 VanDerWaalsContact C-N 3.32Å; Y612-Q614 PolarHBondContact O-N 3.41Å; Y612-E615 PolarHBondContact O-N 2.72Å; Y612-T616 HydrophobicContact CD1-CG2 4.41Å; Y612-T616 HydrophobicContact CD2-CG2 4.09Å; Y612-T616 HydrophobicContact CE1-CG2 4.05Å; Y612-T616 HydrophobicContact CE2-CG2 3.69Å; Y612-T616 HydrophobicContact CG-CG2 4.44Å; Y612-T616 WeakPolarHBondContact O-CB 3.35Å; Y612-T616 PolarHBondContact O-N 3.42Å; Y612-T616 PolarHBondContact O-OG1 2.89Å; Y612-C620 VanDerWaalsContact CD1-SG 3.53Å; Y612-S672 WeakPolarHBondContact OH-CB 3.2Å; Y612-S672 PolarHBondContact OH-OG 2.87Å
613	E	78	Confident	77.3	Confident	79 Å²	79	79.9 Å²	79.9	37%	0.369	42%	0.42	S	S	.	.	H	α-helix	trans	-63.9	-37.2	175.6	-173.7	177.6	179.7	0	0	111.9	S609 T610 R611 G617 R619	S609-E613 PolarHBondContact O-N 2.86Å; T610-E613 PolarHBondContact O-N 2.78Å; R611-E613 VanDerWaalsContact C-N 3.33Å; R611-E613 PolarHBondContact O-N 3.01Å; E613-G617 WeakPolarHBondContact O-CA 3.5Å; E613-G617 PolarHBondContact O-N 2.76Å; E613-R619 WeakPolarHBondContact OE1-CG 3.34Å; E613-R619 IonicContact OE1-NE 2.76Å
614	Q	81	Confident	76.9	Confident	151 Å²	151	76.8 Å²	76.8	71%	0.706	40%	0.4	S	S	*	.	H	α-helix	trans	-69.7	-40.5	175.7	-72.2	175.7	1.1	0	0	112.8	T610 R611 Y612	T610-Q614 WeakPolarHBondContact O-CG 3.39Å; T610-Q614 PolarHBondContact O-N 3.13Å; R611-Q614 WeakPolarHBondContact O-CB 3.43Å; R611-Q614 PolarHBondContact O-N 3.27Å; R611-Q614 VanDerWaalsContact O-N 3.16Å; Y612-Q614 VanDerWaalsContact C-N 3.32Å; Y612-Q614 PolarHBondContact O-N 3.41Å
615	E	79.4	Confident	76.7	Confident	137 Å²	137	74.1 Å²	74.1	64%	0.64	39%	0.388	S	S	*	.	H	α-helix	trans	-74.2	-39.6	-177.4	-72.9	172	-168.2	0	0	111.7	R611 Y612	R611-E615 IonicContact NE-OE1 3.88Å; R611-E615 IonicContact NH2-OE1 3.82Å; R611-E615 PolarHBondContact NH2-OE1 3.45Å; R611-E615 WeakPolarHBondContact O-CB 3.32Å; R611-E615 WeakPolarHBondContact O-CG 3.42Å; R611-E615 PolarHBondContact O-N 2.85Å; Y612-E615 PolarHBondContact O-N 2.72Å
616	T	72.1	Confident	76.9	Confident	58 Å²	58	77.3 Å²	77.3	36%	0.356	41%	0.408	S	S	.	.	H	α-helix	trans	-94.5	-18.4	-177.2	62.7	0	0	0	0	113.8	Y612 K618	Y612-T616 HydrophobicContact CD1-CG2 4.41Å; Y612-T616 HydrophobicContact CD2-CG2 4.09Å; Y612-T616 HydrophobicContact CE1-CG2 4.05Å; Y612-T616 HydrophobicContact CE2-CG2 3.69Å; Y612-T616 HydrophobicContact CG-CG2 4.44Å; Y612-T616 WeakPolarHBondContact O-CB 3.35Å; Y612-T616 PolarHBondContact O-N 3.42Å; Y612-T616 PolarHBondContact O-OG1 2.89Å; T616-K618 PolarHBondContact O-N 3.44Å; T616-K618 VanDerWaalsContact O-N 3.1Å; T616-K618 PolarHBondContact OG1-N 3.06Å; T616-K618 PolarHBondContact OG1-O 3.2Å
617	G	69.4	Low	77	Confident	68 Å²	68	72.6 Å²	72.6	70%	0.701	39%	0.39	S	S	*	.	S	Bend	trans	64.4	5	-170.9	0	0	0	0	0	113.9	E613	E613-G617 WeakPolarHBondContact O-CA 3.5Å; E613-G617 PolarHBondContact O-N 2.76Å
618	K	67.2	Low	77.1	Confident	84 Å²	84	70.1 Å²	70.1	37%	0.365	37%	0.372	S	S	.	.	S	Bend	trans	-108	135.8	-179.7	-70	-176.4	174	-173.2	0	109.2	T616 E674	T616-K618 PolarHBondContact O-N 3.44Å; T616-K618 VanDerWaalsContact O-N 3.1Å; T616-K618 PolarHBondContact OG1-N 3.06Å; T616-K618 PolarHBondContact OG1-O 3.2Å; K618-E674 IonicContact NZ-OE2 3.51Å; K618-E674 PolarHBondContact NZ-OE2 3.43Å
619	R	67.2	Low	77.4	Confident	198 Å²	198	70.1 Å²	70.1	75%	0.747	36%	0.363	S	S	*	.			trans	-71.5	133.6	175.7	-67.1	-174.3	173.9	168.3	2.6	108.7	E613 A621	E613-R619 WeakPolarHBondContact OE1-CG 3.34Å; E613-R619 IonicContact OE1-NE 2.76Å; R619-A621 PolarHBondContact O-N 3.44Å
620	C	64.9	Low	77.9	Confident	28 Å²	28	71.9 Å²	71.9	19%	0.189	37%	0.369	C	S	.	.			trans	-56.1	135.2	166.9	-65.9	0	0	0	0	109.3	S609 Y612 I622	S609-C620 PolarHBondContact OG-SG 3.49Å; S609-C620 VanDerWaalsContact OG-SG 3.41Å; Y612-C620 VanDerWaalsContact CD1-SG 3.53Å; C620-I622 PolarHBondContact O-N 2.86Å; C620-I622 VanDerWaalsContact O-N 3.11Å
621	A	63	Low	78.4	Confident	40 Å²	40	68.9 Å²	68.9	33%	0.331	35%	0.351	S	S	.	.	S	Bend	trans	-56.9	-28.7	177.4	0	0	0	0	0	112.6	R619	R619-A621 PolarHBondContact O-N 3.44Å
622	I	71.3	Confident	78.9	Confident	21 Å²	21	61.7 Å²	61.7	11%	0.108	32%	0.324	C	S	.	.	S	Bend	trans	-121.9	106.9	179.9	-54.7	171.2	0	0	0	109.3	I527 C620 A667	I527-I622 HydrophobicContact CD1-CD1 3.93Å; C620-I622 PolarHBondContact O-N 2.86Å; C620-I622 VanDerWaalsContact O-N 3.11Å; I622-A667 HydrophobicContact CD1-CB 4.35Å
623	P	74	Confident	79.7	Confident	67 Å²	67	60.6 Å²	60.6	44%	0.435	32%	0.322	S	S	.	.			trans	-72.6	138.2	175.3	28.6	-33.3	0	0	0	111.3	T625	P623-T625 HydrophobicContact CB-CG2 4.42Å; P623-T625 HydrophobicContact CG-CG2 4.42Å; P623-T625 PolarHBondContact O-N 2.9Å
624	I	81.8	Confident	80.4	Confident	29 Å²	29	57.4 Å²	57.4	15%	0.149	31%	0.306	C	S	.	.			trans	-77.7	107.8	174.6	-59.1	173.7	0	0	0	108.8	Y602 M605 R606	Y602-I624 HydrophobicContact CD2-CG2 4.23Å; Y602-I624 HydrophobicContact CE2-CG2 3.75Å; M605-I624 HydrophobicContact CB-CD1 3.99Å; M605-I624 WeakPolarHBondContact O-CD1 3.45Å; R606-I624 HydrophobicContact CB-CG2 4.45Å
625	T	84.8	Confident	81	Confident	48 Å²	48	50.2 Å²	50.2	29%	0.294	27%	0.273	S	S	.	.			trans	-114.5	169.5	-179.1	63	0	0	0	0	111.1	P623 R627 Q628	P623-T625 HydrophobicContact CB-CG2 4.42Å; P623-T625 HydrophobicContact CG-CG2 4.42Å; P623-T625 PolarHBondContact O-N 2.9Å; T625-R627 PolarHBondContact O-N 3.43Å; T625-R627 WeakPolarHBondContact OG1-CB 3.41Å; T625-Q628 WeakPolarHBondContact O-CB 3.46Å; T625-Q628 PolarHBondContact O-N 2.77Å
626	V	88.1	Confident	81.7	Confident	86 Å²	86	43.7 Å²	43.7	52%	0.521	24%	0.242	S	C	.	.	H	α-helix	trans	-55.1	-26.9	174.1	-179.1	0	0	0	0	111.6	Y602 Q628 L629 E630	Y602-V626 PolarHBondContact OH-N 3.42Å; V626-Q628 VanDerWaalsContact C-N 3.27Å; V626-Q628 PolarHBondContact O-N 3.44Å; V626-L629 WeakPolarHBondContact O-CA 3.19Å; V626-L629 VanDerWaalsContact O-CB 3.31Å; V626-L629 WeakPolarHBondContact O-CB 3.24Å; V626-L629 PolarHBondContact O-N 3.21Å; V626-L629 VanDerWaalsContact O-N 3.1Å; V626-E630 PolarHBondContact O-N 3.48Å
627	R	87.4	Confident	82.8	Confident	35 Å²	35	41 Å²	41	13%	0.132	23%	0.225	C	C	.	.	H	α-helix	trans	-61.3	-34.6	176.1	-171.4	167.4	-175.1	145.1	15.1	113.6	E473 S522 R523 T625 L629 E630 A631	E473-R627 IonicContact OE1-NH1 3.99Å; E473-R627 IonicContact OE2-CZ 2.71Å; E473-R627 IonicContact OE2-NH1 3.03Å; E473-R627 PolarHBondContact OE2-NH1 2.81Å; E473-R627 IonicContact OE2-NH2 3.64Å; E473-R627 PolarHBondContact OE2-NH2 3.35Å; S522-R627 WeakPolarHBondContact O-CD 3.21Å; S522-R627 PolarHBondContact O-NE 2.84Å; R523-R627 VanDerWaalsContact CB-NH2 3.35Å; T625-R627 PolarHBondContact O-N 3.43Å; T625-R627 WeakPolarHBondContact OG1-CB 3.41Å; R627-L629 VanDerWaalsContact C-N 3.34Å; R627-E630 PolarHBondContact O-N 2.95Å; R627-A631 WeakPolarHBondContact O-CB 3.39Å; R627-A631 PolarHBondContact O-N 3.44Å
628	Q	87.9	Confident	83.9	Confident	3 Å²	3	37.7 Å²	37.7	1%	0.014	19%	0.192	C	C	.	.	H	α-helix	trans	-70.5	-34.6	175.7	-60.4	-57.5	-3.6	0	0	111.3	T625 V626 A631 I632 F660	T625-Q628 WeakPolarHBondContact O-CB 3.46Å; T625-Q628 PolarHBondContact O-N 2.77Å; V626-Q628 VanDerWaalsContact C-N 3.27Å; V626-Q628 PolarHBondContact O-N 3.44Å; Q628-A631 WeakPolarHBondContact O-CB 3.35Å; Q628-A631 PolarHBondContact O-N 3.34Å; Q628-I632 WeakPolarHBondContact O-CD1 3.3Å; Q628-I632 VanDerWaalsContact O-CG1 3.3Å; Q628-I632 WeakPolarHBondContact O-CG1 3.16Å; Q628-I632 PolarHBondContact O-N 3.31Å; Q628-F660 HydrophobicContact CB-CE2 4.14Å; Q628-F660 HydrophobicContact CB-CZ 3.75Å; Q628-F660 HydrophobicContact CG-CE2 4.42Å; Q628-F660 HydrophobicContact CG-CZ 4.01Å; Q628-F660 VanDerWaalsContact OE1-CE2 3.25Å
629	L	90.6	Very high	85.2	Confident	38 Å²	38	34.1 Å²	34.1	20%	0.199	18%	0.177	C	C	.	.	H	α-helix	trans	-62.8	-45.3	169.7	-177.3	66.1	0	0	0	110.9	L598 Y602 V626 R627 A631 I632 I633	L598-L629 HydrophobicContact CB-CD1 4.32Å; Y602-L629 HydrophobicContact CD2-CB 4.01Å; Y602-L629 HydrophobicContact CD2-CD1 4.47Å; Y602-L629 HydrophobicContact CE2-CB 4.15Å; Y602-L629 HydrophobicContact CG-CB 4.48Å; Y602-L629 HydrophobicContact CG-CD1 4.3Å; V626-L629 WeakPolarHBondContact O-CA 3.19Å; V626-L629 VanDerWaalsContact O-CB 3.31Å; V626-L629 WeakPolarHBondContact O-CB 3.24Å; V626-L629 PolarHBondContact O-N 3.21Å; V626-L629 VanDerWaalsContact O-N 3.1Å; R627-L629 VanDerWaalsContact C-N 3.34Å; L629-A631 VanDerWaalsContact C-N 3.27Å; L629-A631 PolarHBondContact O-N 3.4Å; L629-I632 PolarHBondContact O-N 2.96Å; L629-I633 HydrophobicContact CG-CD1 4.17Å; L629-I633 VanDerWaalsContact O-CG1 3.26Å; L629-I633 WeakPolarHBondContact O-CG1 3.34Å; L629-I633 PolarHBondContact O-N 3.43Å
630	E	89.7	Confident	86.4	Confident	61 Å²	61	24.7 Å²	24.7	29%	0.285	14%	0.141	S	C	.	.	H	α-helix	trans	-63	-31.4	175.3	-68.5	-175.5	152.3	0	0	113	R381 V626 R627 R634	R381-E630 IonicContact CZ-OE1 2.78Å; R381-E630 IonicContact NH1-OE1 2.77Å; R381-E630 PolarHBondContact NH1-OE1 2.84Å; V626-E630 PolarHBondContact O-N 3.48Å; R627-E630 PolarHBondContact O-N 2.95Å; E630-R634 WeakPolarHBondContact O-CG 3.49Å; E630-R634 PolarHBondContact O-N 3.03Å; E630-R634 VanDerWaalsContact O-N 3.16Å; E630-R634 PolarHBondContact O-NE 3.2Å
631	A	90.5	Very high	87.7	Confident	0 Å²	0	23.8 Å²	23.8	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-65.5	-50.2	172.7	0	0	0	0	0	111.6	D525 R627 Q628 L629 I633 R634 I635	D525-A631 HydrophobicContact CB-CB 3.63Å; R627-A631 WeakPolarHBondContact O-CB 3.39Å; R627-A631 PolarHBondContact O-N 3.44Å; Q628-A631 WeakPolarHBondContact O-CB 3.35Å; Q628-A631 PolarHBondContact O-N 3.34Å; L629-A631 VanDerWaalsContact C-N 3.27Å; L629-A631 PolarHBondContact O-N 3.4Å; A631-I633 VanDerWaalsContact C-N 3.3Å; A631-I633 PolarHBondContact O-N 3.41Å; A631-R634 PolarHBondContact O-N 3.12Å; A631-R634 VanDerWaalsContact O-N 3.11Å; A631-I635 WeakPolarHBondContact O-CG1 3.37Å; A631-I635 PolarHBondContact O-N 3.4Å
632	I	92.7	Very high	89	Confident	1 Å²	1	22 Å²	22	1%	0.005	12%	0.119	C	C	.	.	H	α-helix	trans	-61.5	-40.9	178.7	-62.2	159.6	0	0	0	110.7	L598 M605 Q628 L629 R634 I635 S636 A656 L657 F660	L598-I632 HydrophobicContact CD2-CB 4.42Å; L598-I632 HydrophobicContact CD2-CG2 3.42Å; L598-I632 VanDerWaalsContact CD2-CG2 3.42Å; M605-I632 HydrophobicContact CE-CD1 3.87Å; Q628-I632 WeakPolarHBondContact O-CD1 3.3Å; Q628-I632 VanDerWaalsContact O-CG1 3.3Å; Q628-I632 WeakPolarHBondContact O-CG1 3.16Å; Q628-I632 PolarHBondContact O-N 3.31Å; L629-I632 PolarHBondContact O-N 2.96Å; I632-R634 VanDerWaalsContact C-N 3.34Å; I632-R634 PolarHBondContact O-N 3.43Å; I632-I635 PolarHBondContact O-N 3.32Å; I632-S636 PolarHBondContact O-N 3.24Å; I632-S636 PolarHBondContact O-OG 2.98Å; I632-A656 HydrophobicContact CG2-CB 4.21Å; I632-L657 HydrophobicContact CD1-CD2 3.94Å; I632-L657 HydrophobicContact CG2-CD2 4.26Å; I632-L657 HydrophobicContact CG2-CG 4.42Å; I632-F660 HydrophobicContact CD1-CD1 3.95Å; I632-F660 HydrophobicContact CD1-CD2 4.34Å; I632-F660 HydrophobicContact CD1-CE1 4.22Å; I632-F660 HydrophobicContact CD1-CG 4.02Å; I632-F660 HydrophobicContact CG1-CB 4.17Å; I632-F660 HydrophobicContact CG1-CD1 4.32Å; I632-F660 HydrophobicContact CG1-CD2 3.92Å; I632-F660 HydrophobicContact CG1-CE2 4.43Å; I632-F660 HydrophobicContact CG1-CG 3.86Å
633	I	93.2	Very high	89.9	Confident	41 Å²	41	25.6 Å²	25.6	21%	0.21	13%	0.131	C	C	.	.	H	α-helix	trans	-55.1	-49.5	173.4	-73.6	171.1	0	0	0	110.5	L590 L598 L629 A631 I635 S636 E637	L590-I633 HydrophobicContact CD1-CG2 3.7Å; L590-I633 HydrophobicContact CD2-CG1 4.08Å; L598-I633 HydrophobicContact CD1-CG1 4.1Å; L629-I633 HydrophobicContact CG-CD1 4.17Å; L629-I633 VanDerWaalsContact O-CG1 3.26Å; L629-I633 WeakPolarHBondContact O-CG1 3.34Å; L629-I633 PolarHBondContact O-N 3.43Å; A631-I633 VanDerWaalsContact C-N 3.3Å; A631-I633 PolarHBondContact O-N 3.41Å; I633-I635 PolarHBondContact O-N 2.78Å; I633-S636 PolarHBondContact O-N 2.8Å; I633-S636 PolarHBondContact O-OG 2.8Å; I633-E637 WeakPolarHBondContact O-CG 3.25Å; I633-E637 PolarHBondContact O-N 2.75Å
634	R	93.1	Very high	90.6	Very high	11 Å²	11	24.5 Å²	24.5	4%	0.042	12%	0.121	C	C	.	.	H	α-helix	trans	-64.4	-37.9	178.9	-76.4	175.2	-80.3	150.7	1.9	113.1	R382 D384 I385 D525 E630 A631 I632 E637 S638	R382-R634 VanDerWaalsContact CZ-NH1 3.31Å; R382-R634 WeakPolarHBondContact O-CD 3.45Å; D384-R634 PolarHBondContact O-NH1 3.42Å; I385-R634 HydrophobicContact CD1-CB 4.4Å; I385-R634 HydrophobicContact CG1-CB 3.93Å; D525-R634 VanDerWaalsContact CG-NH1 3.26Å; D525-R634 VanDerWaalsContact CG-NH2 3.34Å; D525-R634 IonicContact OD1-CZ 2.71Å; D525-R634 VanDerWaalsContact OD1-CZ 3.31Å; D525-R634 IonicContact OD1-NH1 3.9Å; D525-R634 PolarHBondContact OD1-NH1 3.34Å; D525-R634 IonicContact OD1-NH2 3.29Å; D525-R634 PolarHBondContact OD1-NH2 3.39Å; D525-R634 IonicContact OD2-CZ 3.26Å; D525-R634 IonicContact OD2-NH1 3.98Å; D525-R634 PolarHBondContact OD2-NH1 2.97Å; D525-R634 IonicContact OD2-NH2 3.62Å; E630-R634 WeakPolarHBondContact O-CG 3.49Å; E630-R634 PolarHBondContact O-N 3.03Å; E630-R634 VanDerWaalsContact O-N 3.16Å; E630-R634 PolarHBondContact O-NE 3.2Å; A631-R634 PolarHBondContact O-N 3.12Å; A631-R634 VanDerWaalsContact O-N 3.11Å; I632-R634 VanDerWaalsContact C-N 3.34Å; I632-R634 PolarHBondContact O-N 3.43Å; R634-E637 PolarHBondContact O-N 3.2Å; R634-S638 PolarHBondContact O-N 2.97Å
635	I	93.7	Very high	91	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-64.5	-46.1	175.7	-63.4	164.9	0	0	0	110	I385 M526 A631 I632 I633 E637 S638 L639 A656 L659	I385-I635 HydrophobicContact CD1-CG1 4.17Å; M526-I635 HydrophobicContact CE-CD1 4.49Å; M526-I635 HydrophobicContact CG-CD1 3.77Å; M526-I635 HydrophobicContact SD-CD1 3.78Å; M526-I635 HydrophobicContact SD-CG1 4.38Å; A631-I635 WeakPolarHBondContact O-CG1 3.37Å; A631-I635 PolarHBondContact O-N 3.4Å; I632-I635 PolarHBondContact O-N 3.32Å; I633-I635 PolarHBondContact O-N 2.78Å; I635-E637 VanDerWaalsContact C-N 3.31Å; I635-E637 PolarHBondContact O-N 2.72Å; I635-S638 WeakPolarHBondContact CA-OG 3.5Å; I635-S638 PolarHBondContact O-N 2.83Å; I635-S638 PolarHBondContact O-OG 3.47Å; I635-L639 HydrophobicContact CG2-CD1 4.48Å; I635-L639 PolarHBondContact O-N 2.95Å; I635-A656 HydrophobicContact CB-CB 4.1Å; I635-A656 HydrophobicContact CG2-CB 3.64Å; I635-L659 HydrophobicContact CG2-CD1 4.48Å
636	S	94.2	Very high	91.3	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-61	-39.5	176.7	70.3	0	0	0	0	112.4	I632 I633 S638 L639 A640	I632-S636 PolarHBondContact O-N 3.24Å; I632-S636 PolarHBondContact O-OG 2.98Å; I633-S636 PolarHBondContact O-N 2.8Å; I633-S636 PolarHBondContact O-OG 2.8Å; S636-S638 VanDerWaalsContact C-N 3.34Å; S636-S638 PolarHBondContact O-N 3.49Å; S636-L639 PolarHBondContact O-N 3.46Å; S636-A640 PolarHBondContact O-N 3.46Å
637	E	93.7	Very high	91.5	Very high	1 Å²	1	27.5 Å²	27.5	1%	0.005	14%	0.139	C	C	.	.	H	α-helix	trans	-64.5	-38.1	173.3	-75.6	178.8	-176.8	0	0	111.8	S371 K373 P588 L590 I633 R634 I635 A640 K641	S371-E637 PolarHBondContact N-OE2 3.33Å; K373-E637 WeakPolarHBondContact CE-OE1 3.49Å; K373-E637 IonicContact NZ-OE1 2.83Å; K373-E637 PolarHBondContact NZ-OE1 3.08Å; P588-E637 HydrophobicContact CG-CB 4.03Å; P588-E637 HydrophobicContact CG-CG 4.46Å; P588-E637 WeakPolarHBondContact CG-O 3.28Å; L590-E637 HydrophobicContact CD1-CG 3.95Å; I633-E637 WeakPolarHBondContact O-CG 3.25Å; I633-E637 PolarHBondContact O-N 2.75Å; R634-E637 PolarHBondContact O-N 3.2Å; I635-E637 VanDerWaalsContact C-N 3.31Å; I635-E637 PolarHBondContact O-N 2.72Å; E637-A640 PolarHBondContact O-N 3.24Å; E637-K641 WeakPolarHBondContact O-CB 3.37Å; E637-K641 PolarHBondContact O-N 2.89Å
638	S	93.2	Very high	91.8	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-67.2	-36.7	177.3	72.5	0	0	0	0	112.7	C365 R634 I635 S636 K641 M642	C365-S638 VanDerWaalsContact CB-OG 3.27Å; C365-S638 WeakPolarHBondContact CB-OG 2.98Å; C365-S638 WeakPolarHBondContact O-CB 3.34Å; R634-S638 PolarHBondContact O-N 2.97Å; I635-S638 WeakPolarHBondContact CA-OG 3.5Å; I635-S638 PolarHBondContact O-N 2.83Å; I635-S638 PolarHBondContact O-OG 3.47Å; S636-S638 VanDerWaalsContact C-N 3.34Å; S636-S638 PolarHBondContact O-N 3.49Å; S638-K641 WeakPolarHBondContact O-CB 3.46Å; S638-K641 PolarHBondContact O-N 3.33Å; S638-M642 WeakPolarHBondContact O-CG 3.42Å; S638-M642 PolarHBondContact O-N 3.14Å
639	L	93.7	Very high	92	Very high	8 Å²	8	28.3 Å²	28.3	4%	0.042	15%	0.148	C	C	.	.	H	α-helix	trans	-66.7	-44.1	175.2	-70	171.5	0	0	0	111.5	Y342 I635 S636 K641 M642 D652 E655 A656	Y342-L639 HydrophobicContact CD2-CD2 3.86Å; Y342-L639 HydrophobicContact CE2-CD2 3.44Å; Y342-L639 VanDerWaalsContact CE2-CD2 3.44Å; I635-L639 HydrophobicContact CG2-CD1 4.48Å; I635-L639 PolarHBondContact O-N 2.95Å; S636-L639 PolarHBondContact O-N 3.46Å; L639-K641 VanDerWaalsContact C-N 3.26Å; L639-K641 PolarHBondContact O-N 2.84Å; L639-M642 HydrophobicContact CD2-SD 4.21Å; L639-M642 WeakPolarHBondContact O-CB 3.45Å; L639-M642 PolarHBondContact O-N 3.4Å; L639-D652 HydrophobicContact CB-CB 4.16Å; L639-D652 HydrophobicContact CD1-CB 4.33Å; L639-D652 VanDerWaalsContact CD1-O 3.3Å; L639-D652 WeakPolarHBondContact CD1-O 3.44Å; L639-E655 HydrophobicContact CD1-CB 4.21Å; L639-E655 HydrophobicContact CD1-CG 4.21Å; L639-A656 HydrophobicContact CD1-CB 4.21Å
640	A	92.3	Very high	92.1	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-60.1	-40.3	173.3	0	0	0	0	0	111.3	P588 S636 E637 M642 R643 L644 A645 A648	P588-A640 HydrophobicContact CB-CB 3.87Å; P588-A640 HydrophobicContact CG-CB 4.25Å; S636-A640 PolarHBondContact O-N 3.46Å; E637-A640 PolarHBondContact O-N 3.24Å; A640-M642 VanDerWaalsContact C-N 3.35Å; A640-M642 PolarHBondContact O-N 2.99Å; A640-R643 CarbonylContact O-C 3.41Å; A640-R643 PolarHBondContact O-N 3.03Å; A640-L644 PolarHBondContact O-N 3.35Å; A640-A645 HydrophobicContact CB-CB 4.48Å; A640-A645 PolarHBondContact O-N 3.14Å; A640-A648 HydrophobicContact CB-CB 3.94Å
641	K	92	Very high	92.3	Very high	10 Å²	10	30.8 Å²	30.8	4%	0.043	17%	0.165	C	C	.	.	H	α-helix	trans	-64	-35.5	177.9	-165	-178.7	-70.8	172.1	0	113	F368 G369 G370 A582 C586 P588 E637 S638 L639 R643 L644	F368-K641 HydrophobicContact CB-CD 4.24Å; F368-K641 PolarHBondContact O-NZ 3.28Å; G369-K641 WeakPolarHBondContact O-CE 3.27Å; G369-K641 PolarHBondContact O-NZ 2.89Å; G370-K641 PolarHBondContact O-NZ 2.85Å; A582-K641 HydrophobicContact CB-CG 4.33Å; C586-K641 HydrophobicContact CB-CG 4.07Å; C586-K641 VanDerWaalsContact O-CE 3.28Å; C586-K641 WeakPolarHBondContact O-CE 3.33Å; P588-K641 HydrophobicContact CG-CB 4.12Å; E637-K641 WeakPolarHBondContact O-CB 3.37Å; E637-K641 PolarHBondContact O-N 2.89Å; S638-K641 WeakPolarHBondContact O-CB 3.46Å; S638-K641 PolarHBondContact O-N 3.33Å; L639-K641 VanDerWaalsContact C-N 3.26Å; L639-K641 PolarHBondContact O-N 2.84Å; K641-R643 VanDerWaalsContact C-N 3.25Å; K641-R643 PolarHBondContact O-N 3.36Å; K641-L644 PolarHBondContact O-N 3.47Å
642	M	91.4	Very high	92.4	Very high	2 Å²	2	31.3 Å²	31.3	1%	0.01	17%	0.167	C	C	.	.	H	α-helix	trans	-60.8	-35.3	175	-71	174.8	-174.8	0	0	112.7	Y342 L345 A364 C365 F368 F578 S638 L639 A640 L644	Y342-M642 HydrophobicContact CD2-SD 3.85Å; Y342-M642 HydrophobicContact CE2-SD 4.36Å; L345-M642 HydrophobicContact CD1-CB 4.42Å; L345-M642 HydrophobicContact CD1-CG 4.27Å; L345-M642 HydrophobicContact CD1-SD 4.31Å; A364-M642 HydrophobicContact CB-CE 3.51Å; A364-M642 WeakPolarHBondContact O-CE 3.31Å; C365-M642 HydrophobicContact CB-CE 4.32Å; F368-M642 HydrophobicContact CD1-CG 4.32Å; F368-M642 HydrophobicContact CD2-CE 3.53Å; F368-M642 HydrophobicContact CD2-CG 3.44Å; F368-M642 VanDerWaalsContact CD2-CG 3.44Å; F368-M642 HydrophobicContact CD2-SD 4.28Å; F368-M642 HydrophobicContact CE1-CG 4.42Å; F368-M642 HydrophobicContact CE2-CE 4Å; F368-M642 HydrophobicContact CE2-CG 3.6Å; F368-M642 HydrophobicContact CE2-SD 4.4Å; F368-M642 HydrophobicContact CG-CE 4.45Å; F368-M642 HydrophobicContact CG-CG 3.84Å; F368-M642 HydrophobicContact CZ-CG 4.1Å; F578-M642 WeakPolarHBondContact CZ-O 3.37Å; S638-M642 WeakPolarHBondContact O-CG 3.42Å; S638-M642 PolarHBondContact O-N 3.14Å; L639-M642 HydrophobicContact CD2-SD 4.21Å; L639-M642 WeakPolarHBondContact O-CB 3.45Å; L639-M642 PolarHBondContact O-N 3.4Å; A640-M642 VanDerWaalsContact C-N 3.35Å; A640-M642 PolarHBondContact O-N 2.99Å; M642-L644 VanDerWaalsContact C-N 3.29Å
643	R	89.9	Confident	92.4	Very high	96 Å²	96	31.3 Å²	31.3	36%	0.362	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.4	4.6	177.2	-59.6	-172.6	-69.2	154.8	4.5	112.9	I341 A640 K641 A645 T649 D652	I341-R643 HydrophobicContact CG2-CG 4.17Å; A640-R643 CarbonylContact O-C 3.41Å; A640-R643 PolarHBondContact O-N 3.03Å; K641-R643 VanDerWaalsContact C-N 3.25Å; K641-R643 PolarHBondContact O-N 3.36Å; R643-A645 PolarHBondContact O-N 2.72Å; R643-A645 VanDerWaalsContact O-N 3.14Å; R643-T649 PolarHBondContact NH2-OG1 3.24Å; R643-T649 VanDerWaalsContact NH2-OG1 3.13Å; R643-D652 IonicContact CZ-OD1 3.77Å; R643-D652 VanDerWaalsContact CZ-OD1 3.32Å; R643-D652 IonicContact CZ-OD2 3.63Å; R643-D652 IonicContact NE-OD1 3.86Å; R643-D652 IonicContact NH2-OD1 3.33Å; R643-D652 PolarHBondContact NH2-OD1 3.31Å; R643-D652 IonicContact NH2-OD2 2.78Å; R643-D652 PolarHBondContact NH2-OD2 3.11Å
644	L	89.1	Confident	92.4	Very high	44 Å²	44	34.1 Å²	34.1	23%	0.23	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.8	25.5	-171.1	-59.6	175.5	0	0	0	113.9	I333 A336 F581 A582 C586 A640 K641 M642	I333-L644 HydrophobicContact CG1-CD1 4.39Å; A336-L644 HydrophobicContact CB-CB 4.37Å; A336-L644 HydrophobicContact CB-CD1 3.47Å; A336-L644 VanDerWaalsContact CB-CD1 3.47Å; A336-L644 HydrophobicContact CB-CG 3.74Å; F581-L644 HydrophobicContact CD1-CD1 4.41Å; F581-L644 HydrophobicContact CD1-CD2 4.4Å; F581-L644 HydrophobicContact CE1-CD1 3.88Å; F581-L644 HydrophobicContact CE1-CD2 4.42Å; A582-L644 HydrophobicContact CB-CD2 3.79Å; C586-L644 HydrophobicContact CB-CD2 4.37Å; A640-L644 PolarHBondContact O-N 3.35Å; K641-L644 PolarHBondContact O-N 3.47Å; M642-L644 VanDerWaalsContact C-N 3.29Å
645	A	89.9	Confident	92.4	Very high	31 Å²	31	35.5 Å²	35.5	26%	0.256	19%	0.187	S	C	.	.			trans	-81.5	135.2	-179.8	0	0	0	0	0	111.3	C586 A640 R643 F647	C586-A645 PolarHBondContact SG-O 3.39Å; A640-A645 HydrophobicContact CB-CB 4.48Å; A640-A645 PolarHBondContact O-N 3.14Å; R643-A645 PolarHBondContact O-N 2.72Å; R643-A645 VanDerWaalsContact O-N 3.14Å; A645-F647 VanDerWaalsContact C-N 3.32Å; A645-F647 PolarHBondContact O-N 3.28Å
646	A	90.6	Very high	92.3	Very high	59 Å²	59	35.5 Å²	35.5	49%	0.488	19%	0.187	S	C	.	.	S	Bend	trans	-72.1	-24.7	177.9	0	0	0	0	0	113.5	P588 R589	P588-A646 VanDerWaalsContact CA-O 3.26Å; P588-A646 WeakPolarHBondContact CA-O 3.45Å; R589-A646 PolarHBondContact N-O 2.92Å
647	F	93.5	Very high	92.2	Very high	136 Å²	136	36.1 Å²	36.1	60%	0.596	19%	0.189	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-125.1	132.9	-178.9	-59.2	-79.4	0	0	0	111	R589 A645	R589-F647 HydrophobicContact CB-CD1 4.4Å; R589-F647 CarbonylContact O-C 3.58Å; R589-F647 VanDerWaalsContact O-CA 3.24Å; R589-F647 WeakPolarHBondContact O-CA 3.21Å; A645-F647 VanDerWaalsContact C-N 3.32Å; A645-F647 PolarHBondContact O-N 3.28Å
648	A	92.1	Very high	92.1	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	129.4	172.5	0	0	0	0	0	110.1	R589 S591 A640	R589-A648 PolarHBondContact O-N 3.05Å; S591-A648 WeakPolarHBondContact CB-O 3.39Å; S591-A648 PolarHBondContact N-O 3.43Å; S591-A648 PolarHBondContact OG-O 2.71Å; S591-A648 VanDerWaalsContact OG-O 3.11Å; A640-A648 HydrophobicContact CB-CB 3.94Å
649	T	92.8	Very high	92	Very high	56 Å²	56	39.9 Å²	39.9	34%	0.344	20%	0.204	S	C	.	.			trans	-92	168.3	-178.4	53.2	0	0	0	0	111.4	R643 T651 D652 V653	R643-T649 PolarHBondContact NH2-OG1 3.24Å; R643-T649 VanDerWaalsContact NH2-OG1 3.13Å; T649-T651 PolarHBondContact O-N 3.13Å; T649-T651 PolarHBondContact OG1-OG1 3.42Å; T649-D652 PolarHBondContact N-OD2 3.2Å; T649-D652 WeakPolarHBondContact O-CB 3.36Å; T649-D652 PolarHBondContact O-N 2.88Å; T649-D652 VanDerWaalsContact O-N 3.14Å; T649-D652 PolarHBondContact OG1-OD2 3.29Å; T649-V653 PolarHBondContact O-N 2.86Å
650	E	93.8	Very high	91.8	Very high	71 Å²	71	39.7 Å²	39.7	33%	0.332	20%	0.203	S	C	.	.	H	α-helix	trans	-58	-33.1	176	-70.8	-169.3	-156.2	0	0	113.4	Q593 K597 D652 V653 E654	Q593-E650 HydrophobicContact CB-CG 4.06Å; Q593-E650 WeakPolarHBondContact CB-OE1 3.33Å; K597-E650 HydrophobicContact CD-CB 4.12Å; K597-E650 HydrophobicContact CD-CG 4.14Å; K597-E650 IonicContact NZ-OE2 3.9Å; K597-E650 PolarHBondContact NZ-OE2 3.41Å; E650-D652 VanDerWaalsContact C-N 3.31Å; E650-D652 PolarHBondContact O-N 3.49Å; E650-V653 WeakPolarHBondContact O-CB 3.48Å; E650-V653 PolarHBondContact O-N 3.03Å; E650-E654 WeakPolarHBondContact O-CG 3.4Å; E650-E654 PolarHBondContact O-N 3.02Å
651	T	92.1	Very high	91.5	Very high	80 Å²	80	42.7 Å²	42.7	49%	0.491	22%	0.217	S	C	.	.	H	α-helix	trans	-63.7	-36.7	177.9	58	0	0	0	0	112.2	T649 V653 E654 E655	T649-T651 PolarHBondContact O-N 3.13Å; T649-T651 PolarHBondContact OG1-OG1 3.42Å; T651-V653 VanDerWaalsContact C-N 3.31Å; T651-E654 PolarHBondContact O-N 3.39Å; T651-E655 PolarHBondContact O-N 3.47Å; T651-E655 VanDerWaalsContact O-N 3.14Å
652	D	92.5	Very high	91.1	Very high	11 Å²	11	44.4 Å²	44.4	6%	0.059	23%	0.228	C	C	.	.	H	α-helix	trans	-67.8	-38.4	176.7	-61.6	-36.2	0	0	0	110.6	L639 R643 T649 E650 A656	L639-D652 HydrophobicContact CB-CB 4.16Å; L639-D652 HydrophobicContact CD1-CB 4.33Å; L639-D652 VanDerWaalsContact CD1-O 3.3Å; L639-D652 WeakPolarHBondContact CD1-O 3.44Å; R643-D652 IonicContact CZ-OD1 3.77Å; R643-D652 VanDerWaalsContact CZ-OD1 3.32Å; R643-D652 IonicContact CZ-OD2 3.63Å; R643-D652 IonicContact NE-OD1 3.86Å; R643-D652 IonicContact NH2-OD1 3.33Å; R643-D652 PolarHBondContact NH2-OD1 3.31Å; R643-D652 IonicContact NH2-OD2 2.78Å; R643-D652 PolarHBondContact NH2-OD2 3.11Å; T649-D652 PolarHBondContact N-OD2 3.2Å; T649-D652 WeakPolarHBondContact O-CB 3.36Å; T649-D652 PolarHBondContact O-N 2.88Å; T649-D652 VanDerWaalsContact O-N 3.14Å; T649-D652 PolarHBondContact OG1-OD2 3.29Å; E650-D652 VanDerWaalsContact C-N 3.31Å; E650-D652 PolarHBondContact O-N 3.49Å; D652-A656 WeakPolarHBondContact O-CB 3.46Å; D652-A656 PolarHBondContact O-N 2.68Å
653	V	93.4	Very high	90.5	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-64.3	-42.8	176.1	162.8	0	0	0	0	111.3	A594 K597 L598 T649 E650 T651 A656 L657	A594-V653 HydrophobicContact CB-CG2 3.82Å; K597-V653 HydrophobicContact CD-CG1 4.44Å; L598-V653 HydrophobicContact CD1-CG2 3.95Å; L598-V653 HydrophobicContact CD2-CB 4.39Å; L598-V653 HydrophobicContact CD2-CG1 3.44Å; L598-V653 VanDerWaalsContact CD2-CG1 3.44Å; L598-V653 HydrophobicContact CD2-CG2 4.19Å; L598-V653 HydrophobicContact CG-CB 4.42Å; L598-V653 HydrophobicContact CG-CG1 3.63Å; L598-V653 HydrophobicContact CG-CG2 3.89Å; T649-V653 PolarHBondContact O-N 2.86Å; E650-V653 WeakPolarHBondContact O-CB 3.48Å; E650-V653 PolarHBondContact O-N 3.03Å; T651-V653 VanDerWaalsContact C-N 3.31Å; V653-A656 PolarHBondContact O-N 3.43Å; V653-L657 HydrophobicContact CG1-CD1 3.83Å; V653-L657 HydrophobicContact CG1-CG 4.36Å; V653-L657 WeakPolarHBondContact O-CB 3.3Å; V653-L657 VanDerWaalsContact O-CG 3.26Å; V653-L657 WeakPolarHBondContact O-CG 3.02Å; V653-L657 PolarHBondContact O-N 3.02Å
654	E	93.7	Very high	89.7	Confident	101 Å²	101	40.1 Å²	40.1	47%	0.472	21%	0.212	S	C	.	.	H	α-helix	trans	-62.1	-45.7	177.5	-73.7	176.5	161.1	0	0	112	K597 E650 T651 L657 R658	K597-E654 VanDerWaalsContact CE-OE1 3.29Å; K597-E654 WeakPolarHBondContact CE-OE1 3.35Å; K597-E654 IonicContact NZ-OE1 2.79Å; K597-E654 PolarHBondContact NZ-OE1 3.06Å; E650-E654 WeakPolarHBondContact O-CG 3.4Å; E650-E654 PolarHBondContact O-N 3.02Å; T651-E654 PolarHBondContact O-N 3.39Å; E654-L657 PolarHBondContact O-N 3.41Å; E654-R658 PolarHBondContact O-N 2.92Å
655	E	91.8	Very high	88.8	Confident	40 Å²	40	41 Å²	41	19%	0.187	22%	0.217	C	C	.	.	H	α-helix	trans	-66.9	-39.3	176.6	179.4	63	-176.9	0	0	111.5	Y342 K361 L639 T651 L657 R658 L659	Y342-E655 HydrophobicContact CE1-CG 3.99Å; Y342-E655 VanDerWaalsContact CE1-OE1 3.31Å; Y342-E655 WeakPolarHBondContact CE1-OE1 3.45Å; Y342-E655 PolarHBondContact OH-OE1 3.03Å; K361-E655 IonicContact NZ-OE1 2.73Å; K361-E655 PolarHBondContact NZ-OE1 3.36Å; L639-E655 HydrophobicContact CD1-CB 4.21Å; L639-E655 HydrophobicContact CD1-CG 4.21Å; T651-E655 PolarHBondContact O-N 3.47Å; T651-E655 VanDerWaalsContact O-N 3.14Å; E655-L657 VanDerWaalsContact C-N 3.33Å; E655-L657 PolarHBondContact O-N 2.99Å; E655-R658 WeakPolarHBondContact O-CB 3.44Å; E655-R658 PolarHBondContact O-N 3.11Å; E655-R658 IonicContact OE1-CZ 3.36Å; E655-R658 IonicContact OE1-NE 2.85Å; E655-R658 PolarHBondContact OE1-NE 3.39Å; E655-R658 IonicContact OE1-NH2 3.8Å; E655-R658 PolarHBondContact OE1-NH2 3.38Å; E655-R658 IonicContact OE2-CZ 2.69Å; E655-R658 IonicContact OE2-NE 2.98Å; E655-R658 PolarHBondContact OE2-NE 3.44Å; E655-R658 IonicContact OE2-NH2 2.6Å; E655-L659 WeakPolarHBondContact O-CG 3.46Å; E655-L659 PolarHBondContact O-N 3.46Å
656	A	92.7	Very high	87.9	Confident	0 Å²	0	42.4 Å²	42.4	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-61.4	-41.7	174.3	0	0	0	0	0	111.8	I632 I635 L639 D652 V653 L659 F660	I632-A656 HydrophobicContact CG2-CB 4.21Å; I635-A656 HydrophobicContact CB-CB 4.1Å; I635-A656 HydrophobicContact CG2-CB 3.64Å; L639-A656 HydrophobicContact CD1-CB 4.21Å; D652-A656 WeakPolarHBondContact O-CB 3.46Å; D652-A656 PolarHBondContact O-N 2.68Å; V653-A656 PolarHBondContact O-N 3.43Å; A656-L659 PolarHBondContact O-N 3.46Å; A656-F660 VanDerWaalsContact O-CB 3.29Å; A656-F660 WeakPolarHBondContact O-CB 3.26Å; A656-F660 PolarHBondContact O-N 3.2Å
657	L	92	Very high	86.7	Confident	12 Å²	12	40 Å²	40	6%	0.063	20%	0.198	C	C	.	.	H	α-helix	trans	-64.9	-41.8	174.3	-75.9	167.8	0	0	0	111.4	Q601 M605 I632 V653 E654 E655 L659 F660 H661	Q601-L657 HydrophobicContact CB-CD1 3.95Å; Q601-L657 HydrophobicContact CB-CD2 4.33Å; Q601-L657 HydrophobicContact CG-CD1 3.76Å; M605-L657 HydrophobicContact CE-CD2 4.12Å; I632-L657 HydrophobicContact CD1-CD2 3.94Å; I632-L657 HydrophobicContact CG2-CD2 4.26Å; I632-L657 HydrophobicContact CG2-CG 4.42Å; V653-L657 HydrophobicContact CG1-CD1 3.83Å; V653-L657 HydrophobicContact CG1-CG 4.36Å; V653-L657 WeakPolarHBondContact O-CB 3.3Å; V653-L657 VanDerWaalsContact O-CG 3.26Å; V653-L657 WeakPolarHBondContact O-CG 3.02Å; V653-L657 PolarHBondContact O-N 3.02Å; E654-L657 PolarHBondContact O-N 3.41Å; E655-L657 VanDerWaalsContact C-N 3.33Å; E655-L657 PolarHBondContact O-N 2.99Å; L657-L659 PolarHBondContact O-N 3.05Å; L657-F660 WeakPolarHBondContact O-CB 3.37Å; L657-F660 PolarHBondContact O-N 2.91Å; L657-H661 WeakPolarHBondContact O-CB 3.46Å; L657-H661 PolarHBondContact O-CD2 3.46Å; L657-H661 PolarHBondContact O-N 3.28Å
658	R	92.1	Very high	85.4	Confident	81 Å²	81	34.3 Å²	34.3	31%	0.306	18%	0.176	S	C	.	.	H	α-helix	trans	-58.2	-48.9	175.3	-168.9	-167.3	69	77.1	3.2	111.2	D358 E654 E655 F660 H661 V662	D358-R658 IonicContact OD1-CZ 3.35Å; D358-R658 VanDerWaalsContact OD1-CZ 3.28Å; D358-R658 IonicContact OD1-NH1 2.76Å; D358-R658 PolarHBondContact OD1-NH1 2.76Å; D358-R658 IonicContact OD1-NH2 3.25Å; D358-R658 PolarHBondContact OD1-NH2 3.17Å; D358-R658 IonicContact OD2-NH1 3.64Å; E654-R658 PolarHBondContact O-N 2.92Å; E655-R658 WeakPolarHBondContact O-CB 3.44Å; E655-R658 PolarHBondContact O-N 3.11Å; E655-R658 IonicContact OE1-CZ 3.36Å; E655-R658 IonicContact OE1-NE 2.85Å; E655-R658 PolarHBondContact OE1-NE 3.39Å; E655-R658 IonicContact OE1-NH2 3.8Å; E655-R658 PolarHBondContact OE1-NH2 3.38Å; E655-R658 IonicContact OE2-CZ 2.69Å; E655-R658 IonicContact OE2-NE 2.98Å; E655-R658 PolarHBondContact OE2-NE 3.44Å; E655-R658 IonicContact OE2-NH2 2.6Å; R658-F660 VanDerWaalsContact C-N 3.32Å; R658-F660 PolarHBondContact O-N 3.46Å; R658-H661 PolarHBondContact O-N 2.97Å; R658-V662 WeakPolarHBondContact O-CG2 3.41Å; R658-V662 PolarHBondContact O-N 3.33Å; R658-V662 VanDerWaalsContact O-N 3.08Å
659	L	90.4	Very high	84.1	Confident	0 Å²	0	38 Å²	38	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-61.9	-40	175.9	-70.6	176	0	0	0	112	D358 K361 I635 E655 A656 L657 S663	D358-L659 HydrophobicContact CB-CD2 4.37Å; K361-L659 HydrophobicContact CB-CD2 4.16Å; I635-L659 HydrophobicContact CG2-CD1 4.48Å; E655-L659 WeakPolarHBondContact O-CG 3.46Å; E655-L659 PolarHBondContact O-N 3.46Å; A656-L659 PolarHBondContact O-N 3.46Å; L657-L659 PolarHBondContact O-N 3.05Å; L659-S663 WeakPolarHBondContact O-CB 3.21Å; L659-S663 PolarHBondContact O-N 3.11Å; L659-S663 PolarHBondContact O-OG 3.1Å
660	F	88.9	Confident	82.5	Confident	4 Å²	4	35.5 Å²	35.5	2%	0.018	18%	0.179	C	C	.	.	H	α-helix	trans	-64.9	-40.8	177.5	-175.9	-100.2	0	0	0	112.3	M605 Q628 I632 A656 L657 R658 S663 T664	M605-F660 HydrophobicContact CE-CE1 4.44Å; M605-F660 HydrophobicContact SD-CD1 4.05Å; M605-F660 HydrophobicContact SD-CE1 3.94Å; Q628-F660 HydrophobicContact CB-CE2 4.14Å; Q628-F660 HydrophobicContact CB-CZ 3.75Å; Q628-F660 HydrophobicContact CG-CE2 4.42Å; Q628-F660 HydrophobicContact CG-CZ 4.01Å; Q628-F660 VanDerWaalsContact OE1-CE2 3.25Å; I632-F660 HydrophobicContact CD1-CD1 3.95Å; I632-F660 HydrophobicContact CD1-CD2 4.34Å; I632-F660 HydrophobicContact CD1-CE1 4.22Å; I632-F660 HydrophobicContact CD1-CG 4.02Å; I632-F660 HydrophobicContact CG1-CB 4.17Å; I632-F660 HydrophobicContact CG1-CD1 4.32Å; I632-F660 HydrophobicContact CG1-CD2 3.92Å; I632-F660 HydrophobicContact CG1-CE2 4.43Å; I632-F660 HydrophobicContact CG1-CG 3.86Å; A656-F660 VanDerWaalsContact O-CB 3.29Å; A656-F660 WeakPolarHBondContact O-CB 3.26Å; A656-F660 PolarHBondContact O-N 3.2Å; L657-F660 WeakPolarHBondContact O-CB 3.37Å; L657-F660 PolarHBondContact O-N 2.91Å; R658-F660 VanDerWaalsContact C-N 3.32Å; R658-F660 PolarHBondContact O-N 3.46Å; F660-S663 WeakPolarHBondContact CA-OG 3.47Å; F660-S663 PolarHBondContact O-N 3.21Å; F660-S663 PolarHBondContact O-OG 2.84Å; F660-S663 VanDerWaalsContact O-OG 3.04Å; F660-T664 HydrophobicContact CD2-CG2 4.04Å; F660-T664 WeakPolarHBondContact CE1-OG1 3.5Å; F660-T664 HydrophobicContact CE2-CG2 3.54Å; F660-T664 WeakPolarHBondContact CE2-OG1 3.49Å; F660-T664 HydrophobicContact CZ-CG2 3.93Å; F660-T664 WeakPolarHBondContact CZ-OG1 3.44Å; F660-T664 PolarHBondContact O-N 2.84Å; F660-T664 PolarHBondContact O-OG1 2.87Å
661	H	86.3	Confident	80.7	Confident	63 Å²	63	32.5 Å²	32.5	29%	0.292	17%	0.167	S	C	.	.	I	π-helix	trans	-64.1	-48.2	176.5	-75.9	-53.1	0	0	0	112	L657 R658 S663 L665	L657-H661 WeakPolarHBondContact O-CB 3.46Å; L657-H661 PolarHBondContact O-CD2 3.46Å; L657-H661 PolarHBondContact O-N 3.28Å; R658-H661 PolarHBondContact O-N 2.97Å; H661-S663 VanDerWaalsContact C-N 3.29Å; H661-S663 PolarHBondContact O-N 3.07Å; H661-L665 HydrophobicContact CB-CD1 4.42Å; H661-L665 WeakPolarHBondContact ND1-CD1 3.14Å; H661-L665 WeakPolarHBondContact O-CB 3.32Å; H661-L665 PolarHBondContact O-N 3.06Å
662	V	84.3	Confident	78.5	Confident	46 Å²	46	29.3 Å²	29.3	28%	0.279	15%	0.148	S	C	.	.	I	π-helix	trans	-61.5	-39.5	178.2	173.7	0	0	0	0	111.2	R658 E666	R658-V662 WeakPolarHBondContact O-CG2 3.41Å; R658-V662 PolarHBondContact O-N 3.33Å; R658-V662 VanDerWaalsContact O-N 3.08Å; V662-E666 VanDerWaalsContact O-CB 3.27Å; V662-E666 WeakPolarHBondContact O-CB 3.49Å
663	S	78.4	Confident	76.1	Confident	1 Å²	1	31.3 Å²	31.3	1%	0.007	16%	0.159	C	C	.	.	I	π-helix	trans	-74.9	-67.2	179.9	54.8	0	0	0	0	112.4	I527 L659 F660 H661 A667	I527-S663 CarbonylContact O-C 3.45Å; I527-S663 WeakPolarHBondContact O-CA 3.28Å; I527-S663 WeakPolarHBondContact O-CB 3.28Å; L659-S663 WeakPolarHBondContact O-CB 3.21Å; L659-S663 PolarHBondContact O-N 3.11Å; L659-S663 PolarHBondContact O-OG 3.1Å; F660-S663 WeakPolarHBondContact CA-OG 3.47Å; F660-S663 PolarHBondContact O-N 3.21Å; F660-S663 PolarHBondContact O-OG 2.84Å; F660-S663 VanDerWaalsContact O-OG 3.04Å; H661-S663 VanDerWaalsContact C-N 3.29Å; H661-S663 PolarHBondContact O-N 3.07Å; S663-A667 WeakPolarHBondContact O-CB 3.33Å; S663-A667 PolarHBondContact O-N 3.05Å
664	T	73.9	Confident	73.5	Confident	7 Å²	7	38.8 Å²	38.8	4%	0.043	19%	0.193	C	C	.	.	I	π-helix	trans	-83.4	-35.6	-165.2	58.2	0	0	0	0	114.4	F660 A668	F660-T664 HydrophobicContact CD2-CG2 4.04Å; F660-T664 WeakPolarHBondContact CE1-OG1 3.5Å; F660-T664 HydrophobicContact CE2-CG2 3.54Å; F660-T664 WeakPolarHBondContact CE2-OG1 3.49Å; F660-T664 HydrophobicContact CZ-CG2 3.93Å; F660-T664 WeakPolarHBondContact CZ-OG1 3.44Å; F660-T664 PolarHBondContact O-N 2.84Å; F660-T664 PolarHBondContact O-OG1 2.87Å; T664-A668 VanDerWaalsContact O-CB 3.3Å; T664-A668 WeakPolarHBondContact O-CB 3.36Å; T664-A668 PolarHBondContact O-N 2.92Å
665	L	70.5	Confident	70.8	Confident	61 Å²	61	35.7 Å²	35.7	32%	0.319	19%	0.189	S	C	.	.	I	π-helix	trans	-74.2	-39.6	-179.8	-66.5	-170.6	0	0	0	111.3	H661 A667 A668 M669	H661-L665 HydrophobicContact CB-CD1 4.42Å; H661-L665 WeakPolarHBondContact ND1-CD1 3.14Å; H661-L665 WeakPolarHBondContact O-CB 3.32Å; H661-L665 PolarHBondContact O-N 3.06Å; L665-A667 VanDerWaalsContact C-N 3.3Å; L665-A667 PolarHBondContact O-N 2.85Å; L665-A668 PolarHBondContact O-N 2.98Å; L665-M669 WeakPolarHBondContact O-CB 3.47Å; L665-M669 VanDerWaalsContact O-CG 3.27Å; L665-M669 WeakPolarHBondContact O-CG 3.22Å; L665-M669 PolarHBondContact O-N 3.5Å
666	E	69.7	Low	68.3	Low	62 Å²	62	35.7 Å²	35.7	29%	0.29	20%	0.196	S	C	.	.	H	α-helix	trans	-62.7	-40.8	174.6	-167.9	175.9	166.9	0	0	110.9	V662 S670 F679	V662-E666 VanDerWaalsContact O-CB 3.27Å; V662-E666 WeakPolarHBondContact O-CB 3.49Å; E666-S670 WeakPolarHBondContact O-CB 3.47Å; E666-S670 PolarHBondContact O-N 3.21Å; E666-S670 PolarHBondContact O-OG 2.83Å; E666-F679 HydrophobicContact CG-CZ 3.98Å
667	A	66.7	Low	65.7	Low	8 Å²	8	40.7 Å²	40.7	7%	0.066	22%	0.219	C	C	.	.	H	α-helix	trans	-62.5	-43.1	172.7	0	0	0	0	0	112.5	I527 V529 I622 S663 L665 S670 G671	I527-A667 HydrophobicContact CG2-CB 4.16Å; V529-A667 HydrophobicContact CG2-CB 3.96Å; I622-A667 HydrophobicContact CD1-CB 4.35Å; S663-A667 WeakPolarHBondContact O-CB 3.33Å; S663-A667 PolarHBondContact O-N 3.05Å; L665-A667 VanDerWaalsContact C-N 3.3Å; L665-A667 PolarHBondContact O-N 2.85Å; A667-S670 WeakPolarHBondContact CA-OG 3.45Å; A667-S670 PolarHBondContact O-OG 2.89Å; A667-G671 PolarHBondContact O-N 3.39Å
668	A	65.6	Low	63.4	Low	16 Å²	16	42.2 Å²	42.2	13%	0.132	24%	0.238	C	C	.	.	H	α-helix	trans	-68.2	-40.9	179.5	0	0	0	0	0	112.7	T664 L665	T664-A668 VanDerWaalsContact O-CB 3.3Å; T664-A668 WeakPolarHBondContact O-CB 3.36Å; T664-A668 PolarHBondContact O-N 2.92Å; L665-A668 PolarHBondContact O-N 2.98Å
669	M	63.7	Low	60.8	Low	79 Å²	79	45 Å²	45	39%	0.389	25%	0.253	S	S	.	.	H	α-helix	trans	-73.5	-37	179.3	-68.9	-177.3	74.7	0	0	111.7	L665 G671 S672 F679	L665-M669 WeakPolarHBondContact O-CB 3.47Å; L665-M669 VanDerWaalsContact O-CG 3.27Å; L665-M669 WeakPolarHBondContact O-CG 3.22Å; L665-M669 PolarHBondContact O-N 3.5Å; M669-G671 VanDerWaalsContact C-N 3.25Å; M669-G671 PolarHBondContact O-N 2.69Å; M669-S672 PolarHBondContact O-N 3.12Å; M669-S672 VanDerWaalsContact O-N 3.13Å; M669-F679 HydrophobicContact CB-CE2 4.42Å; M669-F679 HydrophobicContact CE-CE2 4.38Å; M669-F679 HydrophobicContact SD-CE2 4.35Å
670	S	60.8	Low	58.6	Low	2 Å²	2	45.9 Å²	45.9	1%	0.014	26%	0.258	C	S	.	.	H	α-helix	trans	-66.1	-27.1	175.8	60	0	0	0	0	113.4	E666 A667 S672	E666-S670 WeakPolarHBondContact O-CB 3.47Å; E666-S670 PolarHBondContact O-N 3.21Å; E666-S670 PolarHBondContact O-OG 2.83Å; A667-S670 WeakPolarHBondContact CA-OG 3.45Å; A667-S670 PolarHBondContact O-OG 2.89Å; S670-S672 VanDerWaalsContact C-N 3.28Å; S670-S672 PolarHBondContact O-N 2.78Å
671	G	54.3	Low	56.9	Low	8 Å²	8	49.6 Å²	49.6	8%	0.082	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-22.8	171.8	0	0	0	0	0	114.6	G510 E511 A667 M669	G510-G671 CarbonylContact C-O 3.5Å; G510-G671 WeakPolarHBondContact CA-O 3.4Å; E511-G671 PolarHBondContact N-O 3.11Å; A667-G671 PolarHBondContact O-N 3.39Å; M669-G671 VanDerWaalsContact C-N 3.25Å; M669-G671 PolarHBondContact O-N 2.69Å
672	S	47.7	Very low	55.5	Low	14 Å²	14	55 Å²	55	10%	0.098	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	-118.8	33.9	-167.8	-163.2	0	0	0	0	113.5	Y612 M669 S670 E674	Y612-S672 WeakPolarHBondContact OH-CB 3.2Å; Y612-S672 PolarHBondContact OH-OG 2.87Å; M669-S672 PolarHBondContact O-N 3.12Å; M669-S672 VanDerWaalsContact O-N 3.13Å; S670-S672 VanDerWaalsContact C-N 3.28Å; S670-S672 PolarHBondContact O-N 2.78Å; S672-E674 PolarHBondContact O-N 2.92Å
673	L	40.8	Very low	54.4	Low	53 Å²	53	59.7 Å²	59.7	28%	0.277	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.1	43.2	-168.1	-128.5	115.9	0	0	0	115.8	D507 G675 A676	D507-L673 HydrophobicContact CB-CD2 4.3Å; D507-L673 WeakPolarHBondContact O-CB 3.47Å; L673-G675 VanDerWaalsContact C-N 3.29Å; L673-A676 HydrophobicContact CD2-CB 3.54Å; L673-A676 HydrophobicContact CG-CB 3.95Å
674	E	40	Very low	53.7	Low	156 Å²	156	64.1 Å²	64.1	73%	0.729	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.4	-6.6	151.6	-83	-173.6	168.3	0	0	112.4	K618 S672	K618-E674 IonicContact NZ-OE2 3.51Å; K618-E674 PolarHBondContact NZ-OE2 3.43Å; S672-E674 PolarHBondContact O-N 2.92Å
675	G	36.5	Very low	53.3	Low	36 Å²	36	65.6 Å²	65.6	37%	0.371	35%	0.352	S	S	.	.			trans	-127.1	55.3	178.1	0	0	0	0	0	113.9	L673 E677	L673-G675 VanDerWaalsContact C-N 3.29Å; G675-E677 PolarHBondContact O-N 3.31Å
676	A	38.6	Very low	53.5	Low	41 Å²	41	68 Å²	68	34%	0.339	36%	0.362	S	S	.	.			trans	-67.8	52.7	174.1	0	0	0	0	0	113.3	L673	L673-A676 HydrophobicContact CD2-CB 3.54Å; L673-A676 HydrophobicContact CG-CB 3.95Å
677	E	38.2	Very low	53.9	Low	104 Å²	104	68.2 Å²	68.2	49%	0.486	37%	0.365	S	S	.	.			trans	-96.9	-2	177	-58.3	-163.3	148.5	0	0	112.1	G675 H685	G675-E677 PolarHBondContact O-N 3.31Å; E677-H685 WeakPolarHBondContact CB-CE1 3.08Å; E677-H685 WeakPolarHBondContact CG-CE1 3.33Å; E677-H685 IonicContact OE1-CE1 3.84Å; E677-H685 PolarHBondContact OE1-CE1 3.23Å; E677-H685 IonicContact OE1-NE2 2.89Å; E677-H685 IonicContact OE2-CE1 3.59Å; E677-H685 IonicContact OE2-NE2 3.42Å
678	G	43.5	Very low	54.3	Low	45 Å²	45	69.1 Å²	69.1	46%	0.464	37%	0.369	S	S	.	.	S	Bend	trans	-107.3	-10	-167.8	0	0	0	0	0	118.3
679	F	37.3	Very low	54.9	Low	139 Å²	139	71 Å²	71	61%	0.61	38%	0.377	S	S	*	.	S	Bend	trans	-113.3	16	-176.2	-80.4	-82.9	0	0	0	114.2	E666 M669	E666-F679 HydrophobicContact CG-CZ 3.98Å; M669-F679 HydrophobicContact CB-CE2 4.42Å; M669-F679 HydrophobicContact CE-CE2 4.38Å; M669-F679 HydrophobicContact SD-CE2 4.35Å
680	T	45.3	Very low	55.9	Low	19 Å²	19	73.1 Å²	73.1	12%	0.117	38%	0.381	C	S	.	.	S	Bend	trans	-109.1	136.2	168.6	42.6	0	0	0	0	105.5	E684 H685	T680-E684 VanDerWaalsContact CA-OE2 3.29Å; T680-E684 WeakPolarHBondContact CA-OE2 3.41Å; T680-E684 WeakPolarHBondContact CB-OE2 3.36Å; T680-E684 HydrophobicContact CG2-CB 3.75Å; T680-E684 WeakPolarHBondContact CG2-OE2 3.42Å; T680-H685 WeakPolarHBondContact OG1-CB 3.46Å; T680-H685 PolarHBondContact OG1-N 3.13Å
681	T	52.4	Low	57	Low	82 Å²	82	73 Å²	73	50%	0.503	38%	0.38	S	S	.	.			trans	-45.7	151.4	166.6	53.7	0	0	0	0	108.8	E683 E684 H685	T681-E683 CarbonylContact O-C 3.55Å; T681-E683 PolarHBondContact O-N 3.41Å; T681-E684 WeakPolarHBondContact O-CA 3.41Å; T681-E684 PolarHBondContact O-N 2.93Å; T681-E684 WeakPolarHBondContact OG1-CG 3.28Å; T681-E684 PolarHBondContact OG1-N 2.9Å; T681-H685 PolarHBondContact O-N 2.68Å
682	Q	58	Low	58.3	Low	176 Å²	176	73.8 Å²	73.8	82%	0.822	38%	0.381	S	S	*	.	H	α-helix	trans	-47.5	-33.9	178	-77.1	179.7	-19.6	0	0	111.4	E686	Q682-E686 WeakPolarHBondContact O-CB 3.45Å; Q682-E686 WeakPolarHBondContact O-CG 3.43Å; Q682-E686 PolarHBondContact O-N 3.48Å
683	E	60.9	Low	60.1	Low	144 Å²	144	79.7 Å²	79.7	67%	0.673	41%	0.405	S	S	*	.	H	α-helix	trans	-61.4	-49.1	171.8	-55.9	-177.3	160.7	0	0	113.9	T681 E686 L687	T681-E683 CarbonylContact O-C 3.55Å; T681-E683 PolarHBondContact O-N 3.41Å; E683-E686 PolarHBondContact O-N 3.43Å; E683-L687 WeakPolarHBondContact O-CB 3.4Å; E683-L687 VanDerWaalsContact O-CG 3.24Å; E683-L687 WeakPolarHBondContact O-CG 3.49Å; E683-L687 PolarHBondContact O-N 2.98Å
684	E	63.9	Low	62.2	Low	95 Å²	95	80.1 Å²	80.1	44%	0.444	41%	0.406	S	S	.	.	H	α-helix	trans	-67.5	-34.4	177.9	-79.5	-176.6	170.3	0	0	112.4	T680 T681 L687 V688	T680-E684 VanDerWaalsContact CA-OE2 3.29Å; T680-E684 WeakPolarHBondContact CA-OE2 3.41Å; T680-E684 WeakPolarHBondContact CB-OE2 3.36Å; T680-E684 HydrophobicContact CG2-CB 3.75Å; T680-E684 WeakPolarHBondContact CG2-OE2 3.42Å; T681-E684 WeakPolarHBondContact O-CA 3.41Å; T681-E684 PolarHBondContact O-N 2.93Å; T681-E684 WeakPolarHBondContact OG1-CG 3.28Å; T681-E684 PolarHBondContact OG1-N 2.9Å; E684-L687 WeakPolarHBondContact O-CB 3.19Å; E684-L687 PolarHBondContact O-N 3.11Å; E684-V688 WeakPolarHBondContact O-CG2 3.46Å; E684-V688 PolarHBondContact O-N 3.17Å
685	H	64.5	Low	64.4	Low	37 Å²	37	72.8 Å²	72.8	17%	0.171	37%	0.372	C	S	.	.	H	α-helix	trans	-65.9	-44.1	174.2	-175.5	49.9	0	0	0	111	E677 T680 T681 L687 V688 L689	E677-H685 WeakPolarHBondContact CB-CE1 3.08Å; E677-H685 WeakPolarHBondContact CG-CE1 3.33Å; E677-H685 IonicContact OE1-CE1 3.84Å; E677-H685 PolarHBondContact OE1-CE1 3.23Å; E677-H685 IonicContact OE1-NE2 2.89Å; E677-H685 IonicContact OE2-CE1 3.59Å; E677-H685 IonicContact OE2-NE2 3.42Å; T680-H685 WeakPolarHBondContact OG1-CB 3.46Å; T680-H685 PolarHBondContact OG1-N 3.13Å; T681-H685 PolarHBondContact O-N 2.68Å; H685-L687 VanDerWaalsContact C-N 3.3Å; H685-L687 PolarHBondContact O-N 2.96Å; H685-V688 PolarHBondContact O-N 2.91Å; H685-L689 VanDerWaalsContact NE2-CD1 3.25Å; H685-L689 WeakPolarHBondContact NE2-CD1 3.48Å; H685-L689 PolarHBondContact O-N 2.76Å
686	E	75.6	Confident	66.6	Low	111 Å²	111	74.1 Å²	74.1	52%	0.519	37%	0.367	S	S	.	.	H	α-helix	trans	-60.8	-38.7	172.3	-77.8	-172.6	-173.8	0	0	112.3	Q682 E683 R690	Q682-E686 WeakPolarHBondContact O-CB 3.45Å; Q682-E686 WeakPolarHBondContact O-CG 3.43Å; Q682-E686 PolarHBondContact O-N 3.48Å; E683-E686 PolarHBondContact O-N 3.43Å; E686-R690 WeakPolarHBondContact O-CB 3.3Å; E686-R690 PolarHBondContact O-N 3.35Å; E686-R690 IonicContact OE2-NH2 3.85Å
687	L	77.3	Confident	68.7	Low	68 Å²	68	80.7 Å²	80.7	36%	0.356	39%	0.388	S	S	.	.	H	α-helix	trans	-63.8	-42.5	175.2	-74.8	171.2	0	0	0	111.7	E683 E684 H685 R690 L691 F719	E683-L687 WeakPolarHBondContact O-CB 3.4Å; E683-L687 VanDerWaalsContact O-CG 3.24Å; E683-L687 WeakPolarHBondContact O-CG 3.49Å; E683-L687 PolarHBondContact O-N 2.98Å; E684-L687 WeakPolarHBondContact O-CB 3.19Å; E684-L687 PolarHBondContact O-N 3.11Å; H685-L687 VanDerWaalsContact C-N 3.3Å; H685-L687 PolarHBondContact O-N 2.96Å; L687-R690 PolarHBondContact O-N 3.27Å; L687-L691 VanDerWaalsContact O-CB 3.31Å; L687-L691 WeakPolarHBondContact O-CB 3.31Å; L687-L691 WeakPolarHBondContact O-CG 3.3Å; L687-L691 PolarHBondContact O-N 3.19Å; L687-F719 HydrophobicContact CD2-CE1 4.19Å
688	V	74.9	Confident	70.6	Confident	26 Å²	26	82.7 Å²	82.7	16%	0.158	39%	0.391	C	S	.	.	H	α-helix	trans	-63.3	-48.3	176.3	165.5	0	0	0	0	111.1	E684 H685 R690 L691 E692 V727	E684-V688 WeakPolarHBondContact O-CG2 3.46Å; E684-V688 PolarHBondContact O-N 3.17Å; H685-V688 PolarHBondContact O-N 2.91Å; V688-R690 VanDerWaalsContact C-N 3.32Å; V688-R690 PolarHBondContact O-N 3.16Å; V688-L691 PolarHBondContact O-N 3.01Å; V688-E692 WeakPolarHBondContact O-CB 3.17Å; V688-E692 PolarHBondContact O-N 2.82Å; V688-V727 HydrophobicContact CB-CG2 4.47Å; V688-V727 HydrophobicContact CG1-CG2 4.1Å; V688-V727 HydrophobicContact CG2-CG2 4.36Å
689	L	80	Confident	72.4	Confident	56 Å²	56	81.1 Å²	81.1	29%	0.293	37%	0.372	S	S	.	.	H	α-helix	trans	-63.2	-37.7	176.5	-81.9	169.3	0	0	0	112.3	H685 K693	H685-L689 VanDerWaalsContact NE2-CD1 3.25Å; H685-L689 WeakPolarHBondContact NE2-CD1 3.48Å; H685-L689 PolarHBondContact O-N 2.76Å; L689-K693 WeakPolarHBondContact O-CB 3.47Å; L689-K693 VanDerWaalsContact O-CG 3.31Å; L689-K693 WeakPolarHBondContact O-CG 3.24Å; L689-K693 PolarHBondContact O-N 2.66Å
690	R	82.9	Confident	74.5	Confident	124 Å²	124	79.3 Å²	79.3	47%	0.468	37%	0.372	S	S	.	.	H	α-helix	trans	-66.4	-45	176.7	-170	-179.4	-60.6	161.2	4.8	110.7	E686 L687 V688 K693 Q694	E686-R690 WeakPolarHBondContact O-CB 3.3Å; E686-R690 PolarHBondContact O-N 3.35Å; E686-R690 IonicContact OE2-NH2 3.85Å; L687-R690 PolarHBondContact O-N 3.27Å; V688-R690 VanDerWaalsContact C-N 3.32Å; V688-R690 PolarHBondContact O-N 3.16Å; R690-K693 PolarHBondContact O-N 2.8Å; R690-Q694 WeakPolarHBondContact O-CB 3.23Å; R690-Q694 WeakPolarHBondContact O-CG 3.34Å; R690-Q694 PolarHBondContact O-N 2.69Å
691	L	84	Confident	76.3	Confident	0 Å²	0	83.7 Å²	83.7	0%	0	39%	0.393	C	S	.	.	H	α-helix	trans	-61.8	-46.3	174	-85.5	169.9	0	0	0	111.6	L687 V688 K693 Q694 L695 F714 F719 A723 V724 V727	L687-L691 VanDerWaalsContact O-CB 3.31Å; L687-L691 WeakPolarHBondContact O-CB 3.31Å; L687-L691 WeakPolarHBondContact O-CG 3.3Å; L687-L691 PolarHBondContact O-N 3.19Å; V688-L691 PolarHBondContact O-N 3.01Å; L691-K693 PolarHBondContact O-N 3.25Å; L691-Q694 PolarHBondContact O-N 3.36Å; L691-L695 WeakPolarHBondContact O-CB 3.3Å; L691-L695 PolarHBondContact O-N 3.38Å; L691-F714 HydrophobicContact CD2-CD1 3.7Å; L691-F714 HydrophobicContact CD2-CE1 4.07Å; L691-F714 HydrophobicContact CD2-CG 4.42Å; L691-F719 HydrophobicContact CD1-CD1 3.96Å; L691-F719 HydrophobicContact CD1-CG 4.41Å; L691-F719 HydrophobicContact CD2-CB 3.96Å; L691-F719 HydrophobicContact CD2-CD1 3.62Å; L691-F719 HydrophobicContact CD2-CD2 3.76Å; L691-F719 HydrophobicContact CD2-CE1 3.97Å; L691-F719 HydrophobicContact CD2-CE2 4.09Å; L691-F719 HydrophobicContact CD2-CG 3.5Å; L691-F719 VanDerWaalsContact CD2-CG 3.5Å; L691-F719 HydrophobicContact CD2-CZ 4.19Å; L691-F719 HydrophobicContact CG-CD1 3.68Å; L691-F719 HydrophobicContact CG-CE1 3.86Å; L691-F719 HydrophobicContact CG-CG 4.1Å; L691-F719 HydrophobicContact CG-CZ 4.42Å; L691-A723 HydrophobicContact CD1-CB 3.69Å; L691-V724 HydrophobicContact CD2-CG2 4.01Å; L691-V727 HydrophobicContact CB-CG2 4.02Å; L691-V727 HydrophobicContact CD1-CG2 4.26Å
692	E	83.4	Confident	77.7	Confident	23 Å²	23	81.5 Å²	81.5	11%	0.107	39%	0.387	C	S	.	.	H	α-helix	trans	-62.3	-44.3	179.3	-169.1	-176.6	167.9	0	0	111.3	V688 Q694 L695 K696 V727 R734	V688-E692 WeakPolarHBondContact O-CB 3.17Å; V688-E692 PolarHBondContact O-N 2.82Å; E692-Q694 VanDerWaalsContact C-N 3.32Å; E692-Q694 PolarHBondContact O-N 2.99Å; E692-L695 PolarHBondContact O-N 3.37Å; E692-K696 HydrophobicContact CG-CD 4.13Å; E692-K696 VanDerWaalsContact O-CB 3.31Å; E692-K696 WeakPolarHBondContact O-CB 2.88Å; E692-K696 WeakPolarHBondContact O-CG 3.29Å; E692-K696 PolarHBondContact O-N 2.85Å; E692-K696 VanDerWaalsContact OE1-CE 3.29Å; E692-K696 WeakPolarHBondContact OE1-CE 3.25Å; E692-K696 IonicContact OE1-NZ 3.31Å; E692-K696 PolarHBondContact OE1-NZ 2.78Å; E692-V727 HydrophobicContact CB-CG1 4.06Å; E692-V727 HydrophobicContact CG-CG1 4.46Å; E692-R734 IonicContact OE1-NH1 3.2Å; E692-R734 PolarHBondContact OE1-NH1 2.99Å; E692-R734 IonicContact OE2-NH1 2.67Å; E692-R734 PolarHBondContact OE2-NH1 3.21Å
693	K	85.5	Confident	79	Confident	139 Å²	139	74.8 Å²	74.8	60%	0.604	36%	0.359	S	S	*	.	H	α-helix	trans	-62.2	-38.5	174.8	-75.8	174.8	-176.3	173.6	0	112.1	L689 R690 L691 K697	L689-K693 WeakPolarHBondContact O-CB 3.47Å; L689-K693 VanDerWaalsContact O-CG 3.31Å; L689-K693 WeakPolarHBondContact O-CG 3.24Å; L689-K693 PolarHBondContact O-N 2.66Å; R690-K693 PolarHBondContact O-N 2.8Å; L691-K693 PolarHBondContact O-N 3.25Å; K693-K697 WeakPolarHBondContact O-CB 3.23Å; K693-K697 VanDerWaalsContact O-CG 3.26Å; K693-K697 WeakPolarHBondContact O-CG 3.45Å; K693-K697 PolarHBondContact O-N 3.33Å
694	Q	84.9	Confident	80.2	Confident	61 Å²	61	73 Å²	73	29%	0.285	35%	0.351	S	S	.	.	H	α-helix	trans	-71.8	-41.9	177.6	-75.1	-176.8	-14.4	0	0	112.3	R690 L691 E692 K697 R698 F714	R690-Q694 WeakPolarHBondContact O-CB 3.23Å; R690-Q694 WeakPolarHBondContact O-CG 3.34Å; R690-Q694 PolarHBondContact O-N 2.69Å; L691-Q694 PolarHBondContact O-N 3.36Å; E692-Q694 VanDerWaalsContact C-N 3.32Å; E692-Q694 PolarHBondContact O-N 2.99Å; Q694-K697 PolarHBondContact O-N 2.83Å; Q694-R698 PolarHBondContact O-N 2.59Å; Q694-F714 HydrophobicContact CB-CE1 3.81Å; Q694-F714 HydrophobicContact CB-CZ 4.18Å
695	L	84.6	Confident	81.1	Confident	3 Å²	3	70.8 Å²	70.8	2%	0.016	34%	0.344	C	S	.	.	H	α-helix	trans	-59	-48.9	172.4	-86.2	153.7	0	0	0	110.4	L691 E692 K697 R698 F699 I710 F714 V727 L728 M731	L691-L695 WeakPolarHBondContact O-CB 3.3Å; L691-L695 PolarHBondContact O-N 3.38Å; E692-L695 PolarHBondContact O-N 3.37Å; L695-K697 VanDerWaalsContact C-N 3.28Å; L695-K697 PolarHBondContact O-N 3.24Å; L695-R698 PolarHBondContact O-N 3.36Å; L695-F699 WeakPolarHBondContact O-CB 3.36Å; L695-F699 PolarHBondContact O-N 3.44Å; L695-I710 HydrophobicContact CD2-CG2 3.73Å; L695-F714 HydrophobicContact CD2-CE2 3.72Å; L695-F714 HydrophobicContact CD2-CZ 4.13Å; L695-F714 HydrophobicContact CG-CE2 3.85Å; L695-F714 HydrophobicContact CG-CZ 3.76Å; L695-V727 HydrophobicContact CD1-CB 4.08Å; L695-V727 HydrophobicContact CD1-CG1 3.53Å; L695-L728 HydrophobicContact CD2-CD2 4.16Å; L695-M731 HydrophobicContact CB-SD 3.99Å; L695-M731 HydrophobicContact CD1-SD 4.42Å
696	K	83.7	Confident	82.1	Confident	64 Å²	64	71.4 Å²	71.4	28%	0.278	35%	0.353	S	S	.	.	H	α-helix	trans	-64.4	-28	178.2	-75.6	179.9	171.7	175.6	0	113.9	E692 M731 E736 R748	E692-K696 HydrophobicContact CG-CD 4.13Å; E692-K696 VanDerWaalsContact O-CB 3.31Å; E692-K696 WeakPolarHBondContact O-CB 2.88Å; E692-K696 WeakPolarHBondContact O-CG 3.29Å; E692-K696 PolarHBondContact O-N 2.85Å; E692-K696 VanDerWaalsContact OE1-CE 3.29Å; E692-K696 WeakPolarHBondContact OE1-CE 3.25Å; E692-K696 IonicContact OE1-NZ 3.31Å; E692-K696 PolarHBondContact OE1-NZ 2.78Å; K696-M731 HydrophobicContact CG-CE 3.87Å; K696-E736 VanDerWaalsContact CE-CD 3.47Å; K696-E736 WeakPolarHBondContact CE-OE1 3.42Å; K696-E736 WeakPolarHBondContact CE-OE2 3.48Å; K696-E736 IonicContact NZ-OE1 2.69Å; K696-E736 PolarHBondContact NZ-OE1 3.18Å; K696-E736 IonicContact NZ-OE2 2.59Å; K696-E736 PolarHBondContact NZ-OE2 3.32Å; K696-R748 VanDerWaalsContact CA-NH1 3.32Å; K696-R748 PolarHBondContact O-NH1 3.44Å
697	K	83	Confident	82.5	Confident	178 Å²	178	68.2 Å²	68.2	77%	0.774	34%	0.338	S	S	*	.	H	α-helix	trans	-77	-35.8	174.6	-79.6	178.2	-179.7	-174.2	0	112.9	K693 Q694 L695	K693-K697 WeakPolarHBondContact O-CB 3.23Å; K693-K697 VanDerWaalsContact O-CG 3.26Å; K693-K697 WeakPolarHBondContact O-CG 3.45Å; K693-K697 PolarHBondContact O-N 3.33Å; Q694-K697 PolarHBondContact O-N 2.83Å; L695-K697 VanDerWaalsContact C-N 3.28Å; L695-K697 PolarHBondContact O-N 3.24Å
698	R	77	Confident	82.9	Confident	146 Å²	146	73 Å²	73	55%	0.551	35%	0.352	S	S	*	.	H	α-helix	trans	-81.7	-38.6	-179.7	-76.2	-159.7	172	-144	0.1	113.1	Q694 L695 V700 D713	Q694-R698 PolarHBondContact O-N 2.59Å; L695-R698 PolarHBondContact O-N 3.36Å; R698-V700 PolarHBondContact O-N 2.89Å; R698-D713 IonicContact NH1-OD2 3.32Å; R698-D713 PolarHBondContact NH1-OD2 3.2Å
699	F	81.2	Confident	83.4	Confident	12 Å²	12	73.2 Å²	73.2	5%	0.053	36%	0.356	C	S	.	.	S	Bend	trans	-85.8	99.3	-179.5	-123.5	-88.4	0	0	0	109.6	L695 S703 V705 I710 L746 R748	L695-F699 WeakPolarHBondContact O-CB 3.36Å; L695-F699 PolarHBondContact O-N 3.44Å; F699-S703 VanDerWaalsContact CD1-OG 3.28Å; F699-S703 WeakPolarHBondContact CD1-OG 3.33Å; F699-S703 VanDerWaalsContact CE1-O 3.3Å; F699-S703 WeakPolarHBondContact CE1-O 3.47Å; F699-V705 HydrophobicContact CD2-CB 4.45Å; F699-V705 HydrophobicContact CD2-CG2 4.06Å; F699-V705 HydrophobicContact CE1-CG2 4.22Å; F699-V705 HydrophobicContact CE2-CB 3.39Å; F699-V705 HydrophobicContact CE2-CG1 4.29Å; F699-V705 HydrophobicContact CE2-CG2 3.38Å; F699-V705 HydrophobicContact CZ-CB 3.47Å; F699-V705 VanDerWaalsContact CZ-CB 3.47Å; F699-V705 HydrophobicContact CZ-CG2 3.5Å; F699-I710 HydrophobicContact CD2-CD1 4.25Å; F699-I710 HydrophobicContact CE2-CD1 3.46Å; F699-I710 VanDerWaalsContact CE2-CD1 3.46Å; F699-I710 HydrophobicContact CE2-CG1 4.14Å; F699-I710 HydrophobicContact CZ-CD1 4.26Å; F699-L746 WeakPolarHBondContact CE1-O 3.11Å; F699-L746 HydrophobicContact CZ-CB 3.97Å; F699-L746 WeakPolarHBondContact CZ-O 3.24Å; F699-R748 HydrophobicContact CD1-CB 3.42Å; F699-R748 VanDerWaalsContact CD1-CB 3.42Å; F699-R748 HydrophobicContact CD1-CG 4.4Å; F699-R748 HydrophobicContact CE1-CB 3.92Å; F699-R748 HydrophobicContact CG-CB 4.45Å; F699-R748 WeakPolarHBondContact O-CD 3.31Å; F699-R748 PolarHBondContact O-NH1 3.14Å
700	V	82.2	Confident	83.6	Confident	102 Å²	102	70.9 Å²	70.9	62%	0.618	34%	0.344	S	S	*	.			trans	-71.2	146.5	174.5	-171.9	0	0	0	0	108.8	R698 G702 S703	R698-V700 PolarHBondContact O-N 2.89Å; V700-G702 PolarHBondContact O-N 3.14Å; V700-S703 PolarHBondContact N-OG 3.39Å; V700-S703 WeakPolarHBondContact O-CB 3.29Å; V700-S703 PolarHBondContact O-N 3.26Å; V700-S703 PolarHBondContact O-OG 3.1Å
701	I	83.5	Confident	83.8	Confident	110 Å²	110	66 Å²	66	56%	0.564	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57	124.3	175.1	-61.7	168.1	0	0	0	108.1
702	G	81.4	Confident	83.8	Confident	36 Å²	36	69.7 Å²	69.7	37%	0.371	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	91.7	-5.9	-175.7	0	0	0	0	0	116.4	V700 Y747 R748	V700-G702 PolarHBondContact O-N 3.14Å; G702-Y747 VanDerWaalsContact O-CE2 3.31Å; G702-Y747 WeakPolarHBondContact O-CE2 3.49Å; G702-R748 PolarHBondContact N-O 3.06Å
703	S	84.9	Confident	83.9	Confident	35 Å²	35	71.2 Å²	71.2	25%	0.245	35%	0.353	C	S	.	.			trans	-76.8	148.7	175.3	68.2	0	0	0	0	112.3	F699 V700 R748	F699-S703 VanDerWaalsContact CD1-OG 3.28Å; F699-S703 WeakPolarHBondContact CD1-OG 3.33Å; F699-S703 VanDerWaalsContact CE1-O 3.3Å; F699-S703 WeakPolarHBondContact CE1-O 3.47Å; V700-S703 PolarHBondContact N-OG 3.39Å; V700-S703 WeakPolarHBondContact O-CB 3.29Å; V700-S703 PolarHBondContact O-N 3.26Å; V700-S703 PolarHBondContact O-OG 3.1Å; S703-R748 PolarHBondContact O-N 3.35Å
704	Q	85.6	Confident	83.9	Confident	107 Å²	107	64.8 Å²	64.8	50%	0.5	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	126.9	171.8	-69.9	179.4	19.7	0	0	109.2	I745 L746 Y747	Q704-I745 HydrophobicContact CB-CG2 3.78Å; Q704-I745 HydrophobicContact CG-CG2 4.24Å; Q704-L746 WeakPolarHBondContact CA-O 3.48Å; Q704-Y747 HydrophobicContact CG-CD2 3.59Å; Q704-Y747 HydrophobicContact CG-CE2 4.36Å; Q704-Y747 HydrophobicContact CG-CG 4.48Å
705	V	83.7	Confident	83.9	Confident	48 Å²	48	65.1 Å²	65.1	29%	0.291	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	144.5	175.9	-170.2	0	0	0	0	108.9	F699 A709 I710 L746	F699-V705 HydrophobicContact CD2-CB 4.45Å; F699-V705 HydrophobicContact CD2-CG2 4.06Å; F699-V705 HydrophobicContact CE1-CG2 4.22Å; F699-V705 HydrophobicContact CE2-CB 3.39Å; F699-V705 HydrophobicContact CE2-CG1 4.29Å; F699-V705 HydrophobicContact CE2-CG2 3.38Å; F699-V705 HydrophobicContact CZ-CB 3.47Å; F699-V705 VanDerWaalsContact CZ-CB 3.47Å; F699-V705 HydrophobicContact CZ-CG2 3.5Å; V705-A709 HydrophobicContact CG1-CB 4.33Å; V705-I710 HydrophobicContact CB-CG1 4.46Å; V705-I710 HydrophobicContact CG1-CG1 3.95Å; V705-L746 PolarHBondContact N-O 3.41Å; V705-L746 VanDerWaalsContact N-O 3.12Å; V705-L746 PolarHBondContact O-N 3.1Å
706	S	86.1	Confident	84	Confident	51 Å²	51	73.7 Å²	73.7	36%	0.357	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	138.1	173.2	56.6	0	0	0	0	111.4	Y708 A709 I710 R744	S706-Y708 VanDerWaalsContact C-N 3.27Å; S706-Y708 PolarHBondContact O-N 2.79Å; S706-A709 PolarHBondContact O-N 3.36Å; S706-A709 VanDerWaalsContact O-N 3.14Å; S706-A709 WeakPolarHBondContact OG-CB 3.46Å; S706-A709 PolarHBondContact OG-N 3.35Å; S706-I710 PolarHBondContact O-N 3.38Å; S706-R744 WeakPolarHBondContact CA-O 3.31Å
707	E	84	Confident	83.9	Confident	43 Å²	43	74.4 Å²	74.4	20%	0.201	37%	0.368	C	S	.	.	H	α-helix	trans	-56	-41.3	176.8	-176	176.7	-176.3	0	0	112.2	A709 I710 I711 L728 R744 L746	E707-A709 VanDerWaalsContact C-N 3.33Å; E707-A709 PolarHBondContact O-N 3.48Å; E707-I710 WeakPolarHBondContact O-CB 3.37Å; E707-I710 PolarHBondContact O-N 3.39Å; E707-I710 VanDerWaalsContact O-N 3.14Å; E707-I711 HydrophobicContact CG-CD1 3.93Å; E707-I711 HydrophobicContact CG-CG1 4.5Å; E707-I711 WeakPolarHBondContact O-CG1 3.37Å; E707-I711 PolarHBondContact O-N 3.14Å; E707-L728 HydrophobicContact CG-CD1 4.33Å; E707-R744 PolarHBondContact N-O 3.39Å; E707-L746 HydrophobicContact CB-CD1 3.98Å; E707-L746 HydrophobicContact CB-CG 4.5Å; E707-L746 HydrophobicContact CG-CD1 4.2Å
708	Y	84.6	Confident	83.8	Confident	170 Å²	170	69.2 Å²	69.2	67%	0.667	37%	0.366	S	S	*	.	H	α-helix	trans	-58.9	-41	178	-175	-96.9	0	0	0	113.1	S706 I710 I711 Q712	S706-Y708 VanDerWaalsContact C-N 3.27Å; S706-Y708 PolarHBondContact O-N 2.79Å; Y708-I710 VanDerWaalsContact C-N 3.35Å; Y708-I711 PolarHBondContact O-N 3.32Å; Y708-Q712 WeakPolarHBondContact O-CB 3.42Å; Y708-Q712 PolarHBondContact O-N 3.3Å
709	A	85.6	Confident	84	Confident	29 Å²	29	63.8 Å²	63.8	24%	0.24	35%	0.346	C	S	.	.	H	α-helix	trans	-66.6	-37.8	178	0	0	0	0	0	111.9	V705 S706 E707 D713	V705-A709 HydrophobicContact CG1-CB 4.33Å; S706-A709 PolarHBondContact O-N 3.36Å; S706-A709 VanDerWaalsContact O-N 3.14Å; S706-A709 WeakPolarHBondContact OG-CB 3.46Å; S706-A709 PolarHBondContact OG-N 3.35Å; E707-A709 VanDerWaalsContact C-N 3.33Å; E707-A709 PolarHBondContact O-N 3.48Å; A709-D713 VanDerWaalsContact O-CB 3.29Å; A709-D713 WeakPolarHBondContact O-CB 3.3Å; A709-D713 PolarHBondContact O-N 3.3Å
710	I	84.1	Confident	84	Confident	8 Å²	8	66.8 Å²	66.8	4%	0.041	37%	0.368	C	S	.	.	H	α-helix	trans	-62.5	-53.3	175.3	-59.9	171	0	0	0	109.3	L695 F699 V705 S706 E707 Y708 Q712 D713 F714 V724 L728 L746	L695-I710 HydrophobicContact CD2-CG2 3.73Å; F699-I710 HydrophobicContact CD2-CD1 4.25Å; F699-I710 HydrophobicContact CE2-CD1 3.46Å; F699-I710 VanDerWaalsContact CE2-CD1 3.46Å; F699-I710 HydrophobicContact CE2-CG1 4.14Å; F699-I710 HydrophobicContact CZ-CD1 4.26Å; V705-I710 HydrophobicContact CB-CG1 4.46Å; V705-I710 HydrophobicContact CG1-CG1 3.95Å; S706-I710 PolarHBondContact O-N 3.38Å; E707-I710 WeakPolarHBondContact O-CB 3.37Å; E707-I710 PolarHBondContact O-N 3.39Å; E707-I710 VanDerWaalsContact O-N 3.14Å; Y708-I710 VanDerWaalsContact C-N 3.35Å; I710-Q712 VanDerWaalsContact C-N 3.31Å; I710-Q712 PolarHBondContact O-N 3.43Å; I710-D713 PolarHBondContact O-N 3.34Å; I710-F714 HydrophobicContact CG2-CD2 3.59Å; I710-F714 HydrophobicContact CG2-CE2 3.75Å; I710-F714 VanDerWaalsContact O-CD2 3.23Å; I710-F714 WeakPolarHBondContact O-CD2 3.42Å; I710-F714 PolarHBondContact O-N 2.97Å; I710-V724 HydrophobicContact CG2-CG1 4.16Å; I710-L728 HydrophobicContact CD1-CD2 4.2Å; I710-L728 HydrophobicContact CG2-CD1 4.11Å; I710-L746 HydrophobicContact CD1-CD1 3.62Å
711	I	86	Confident	84.1	Confident	22 Å²	22	67.4 Å²	67.4	11%	0.113	36%	0.364	C	S	.	.	H	α-helix	trans	-56.9	-48.5	-179.1	-67.3	170.7	0	0	0	109.9	E707 Y708 D713 F714 T715 E721 V724	E707-I711 HydrophobicContact CG-CD1 3.93Å; E707-I711 HydrophobicContact CG-CG1 4.5Å; E707-I711 WeakPolarHBondContact O-CG1 3.37Å; E707-I711 PolarHBondContact O-N 3.14Å; Y708-I711 PolarHBondContact O-N 3.32Å; I711-D713 PolarHBondContact O-N 3.14Å; I711-F714 PolarHBondContact O-N 2.75Å; I711-T715 WeakPolarHBondContact O-CB 3.28Å; I711-T715 PolarHBondContact O-N 2.96Å; I711-T715 PolarHBondContact O-OG1 2.9Å; I711-E721 HydrophobicContact CG2-CB 4.3Å; I711-E721 HydrophobicContact CG2-CG 3.67Å; I711-V724 HydrophobicContact CG1-CG1 4.5Å
712	Q	85.5	Confident	83.9	Confident	76 Å²	76	72.7 Å²	72.7	36%	0.355	38%	0.377	S	S	.	.	H	α-helix	trans	-62.1	-41	-179.7	-166.9	175.9	21.2	0	0	113	Y708 I710 R716	Y708-Q712 WeakPolarHBondContact O-CB 3.42Å; Y708-Q712 PolarHBondContact O-N 3.3Å; I710-Q712 VanDerWaalsContact C-N 3.31Å; I710-Q712 PolarHBondContact O-N 3.43Å; Q712-R716 VanDerWaalsContact O-CG 3.31Å; Q712-R716 WeakPolarHBondContact O-CG 3.5Å; Q712-R716 PolarHBondContact O-N 2.99Å
713	D	85.2	Confident	84	Confident	55 Å²	55	72.1 Å²	72.1	29%	0.294	37%	0.369	S	S	.	.	H	α-helix	trans	-67.5	-37.6	179.1	-85.1	-2.4	0	0	0	113.1	R698 A709 I710 I711 Q717	R698-D713 IonicContact NH1-OD2 3.32Å; R698-D713 PolarHBondContact NH1-OD2 3.2Å; A709-D713 VanDerWaalsContact O-CB 3.29Å; A709-D713 WeakPolarHBondContact O-CB 3.3Å; A709-D713 PolarHBondContact O-N 3.3Å; I710-D713 PolarHBondContact O-N 3.34Å; I711-D713 PolarHBondContact O-N 3.14Å; D713-Q717 WeakPolarHBondContact O-CG 3.37Å; D713-Q717 PolarHBondContact O-N 3.31Å; D713-Q717 PolarHBondContact O-NE2 3.42Å; D713-Q717 VanDerWaalsContact O-NE2 3.1Å
714	F	85.3	Confident	83.9	Confident	4 Å²	4	70.5 Å²	70.5	2%	0.018	36%	0.357	C	S	.	.	H	α-helix	trans	-79.5	-33	178.5	-79.7	-77.9	0	0	0	112.2	L691 Q694 L695 I710 I711 R716 Q717 G718 F719 V724	L691-F714 HydrophobicContact CD2-CD1 3.7Å; L691-F714 HydrophobicContact CD2-CE1 4.07Å; L691-F714 HydrophobicContact CD2-CG 4.42Å; Q694-F714 HydrophobicContact CB-CE1 3.81Å; Q694-F714 HydrophobicContact CB-CZ 4.18Å; L695-F714 HydrophobicContact CD2-CE2 3.72Å; L695-F714 HydrophobicContact CD2-CZ 4.13Å; L695-F714 HydrophobicContact CG-CE2 3.85Å; L695-F714 HydrophobicContact CG-CZ 3.76Å; I710-F714 HydrophobicContact CG2-CD2 3.59Å; I710-F714 HydrophobicContact CG2-CE2 3.75Å; I710-F714 VanDerWaalsContact O-CD2 3.23Å; I710-F714 WeakPolarHBondContact O-CD2 3.42Å; I710-F714 PolarHBondContact O-N 2.97Å; I711-F714 PolarHBondContact O-N 2.75Å; F714-R716 VanDerWaalsContact C-N 3.29Å; F714-R716 PolarHBondContact O-N 3Å; F714-Q717 PolarHBondContact O-N 3.4Å; F714-G718 PolarHBondContact O-N 3.03Å; F714-F719 AromaticContact CD1-CD2 3.93Å; F714-F719 HydrophobicContact CD1-CD2 3.93Å; F714-F719 HydrophobicContact CD1-CE2 4.3Å; F714-F719 PolarHBondContact O-N 2.79Å; F714-V724 HydrophobicContact CB-CG1 4.23Å; F714-V724 HydrophobicContact CB-CG2 3.51Å; F714-V724 HydrophobicContact CD2-CG1 4.26Å; F714-V724 HydrophobicContact CG-CG1 4.4Å; F714-V724 HydrophobicContact CG-CG2 4.16Å
715	T	85.5	Confident	83.9	Confident	69 Å²	69	67.9 Å²	67.9	42%	0.423	35%	0.349	S	S	.	.	H	α-helix	trans	-62.7	-37.4	170.5	-57.2	0	0	0	0	111	I711 Q717 G718	I711-T715 WeakPolarHBondContact O-CB 3.28Å; I711-T715 PolarHBondContact O-N 2.96Å; I711-T715 PolarHBondContact O-OG1 2.9Å; T715-Q717 PolarHBondContact O-N 3.33Å; T715-G718 PolarHBondContact O-N 2.93Å; T715-G718 VanDerWaalsContact O-N 3.14Å
716	R	85.7	Confident	83.6	Confident	183 Å²	183	70.2 Å²	70.2	69%	0.691	36%	0.355	S	S	*	.	H	α-helix	trans	-64.6	-25	172.3	-76	174.4	179.6	176.7	1.3	113.9	Q712 F714 G718	Q712-R716 VanDerWaalsContact O-CG 3.31Å; Q712-R716 WeakPolarHBondContact O-CG 3.5Å; Q712-R716 PolarHBondContact O-N 2.99Å; F714-R716 VanDerWaalsContact C-N 3.29Å; F714-R716 PolarHBondContact O-N 3Å; R716-G718 VanDerWaalsContact C-N 3.29Å
717	Q	81.7	Confident	83.5	Confident	78 Å²	78	67.9 Å²	67.9	36%	0.364	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.3	2.2	176.8	-71.1	169	55.6	0	0	112.9	D713 F714 T715 F719	D713-Q717 WeakPolarHBondContact O-CG 3.37Å; D713-Q717 PolarHBondContact O-N 3.31Å; D713-Q717 PolarHBondContact O-NE2 3.42Å; D713-Q717 VanDerWaalsContact O-NE2 3.1Å; F714-Q717 PolarHBondContact O-N 3.4Å; T715-Q717 PolarHBondContact O-N 3.33Å; Q717-F719 HydrophobicContact CB-CD2 3.98Å; Q717-F719 HydrophobicContact CB-CE2 4.13Å
718	G	81	Confident	83.5	Confident	70 Å²	70	66 Å²	66	72%	0.722	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	88.9	10.9	176.6	0	0	0	0	0	114.8	F714 T715 R716	F714-G718 PolarHBondContact O-N 3.03Å; T715-G718 PolarHBondContact O-N 2.93Å; T715-G718 VanDerWaalsContact O-N 3.14Å; R716-G718 VanDerWaalsContact C-N 3.29Å
719	F	81	Confident	83.3	Confident	32 Å²	32	63.1 Å²	63.1	14%	0.14	32%	0.322	C	S	.	.			trans	-85.5	146.4	172.4	-63.7	-78.3	0	0	0	111.1	L687 L691 F714 Q717 V724	L687-F719 HydrophobicContact CD2-CE1 4.19Å; L691-F719 HydrophobicContact CD1-CD1 3.96Å; L691-F719 HydrophobicContact CD1-CG 4.41Å; L691-F719 HydrophobicContact CD2-CB 3.96Å; L691-F719 HydrophobicContact CD2-CD1 3.62Å; L691-F719 HydrophobicContact CD2-CD2 3.76Å; L691-F719 HydrophobicContact CD2-CE1 3.97Å; L691-F719 HydrophobicContact CD2-CE2 4.09Å; L691-F719 HydrophobicContact CD2-CG 3.5Å; L691-F719 VanDerWaalsContact CD2-CG 3.5Å; L691-F719 HydrophobicContact CD2-CZ 4.19Å; L691-F719 HydrophobicContact CG-CD1 3.68Å; L691-F719 HydrophobicContact CG-CE1 3.86Å; L691-F719 HydrophobicContact CG-CG 4.1Å; L691-F719 HydrophobicContact CG-CZ 4.42Å; F714-F719 AromaticContact CD1-CD2 3.93Å; F714-F719 HydrophobicContact CD1-CD2 3.93Å; F714-F719 HydrophobicContact CD1-CE2 4.3Å; F714-F719 PolarHBondContact O-N 2.79Å; Q717-F719 HydrophobicContact CB-CD2 3.98Å; Q717-F719 HydrophobicContact CB-CE2 4.13Å; F719-V724 HydrophobicContact CB-CG2 4.1Å
720	S	82.1	Confident	83.1	Confident	74 Å²	74	65 Å²	65	52%	0.517	32%	0.324	S	S	.	.			trans	-71.6	137.7	174.5	66.6	0	0	0	0	110.7	R722 A723 V724	S720-R722 PolarHBondContact O-N 2.89Å; S720-A723 PolarHBondContact O-N 3.31Å; S720-A723 VanDerWaalsContact OG-CB 3.29Å; S720-A723 WeakPolarHBondContact OG-CB 3.36Å; S720-A723 PolarHBondContact OG-N 3.29Å; S720-V724 PolarHBondContact O-N 3.06Å
721	E	82.9	Confident	82.9	Confident	115 Å²	115	64.8 Å²	64.8	54%	0.537	32%	0.323	S	S	.	.	H	α-helix	trans	-54.7	-36.1	177.3	174.1	171.4	-165.2	0	0	112.2	I711 V724 T725	I711-E721 HydrophobicContact CG2-CB 4.3Å; I711-E721 HydrophobicContact CG2-CG 3.67Å; E721-V724 PolarHBondContact O-N 2.83Å; E721-T725 WeakPolarHBondContact O-CB 3.32Å; E721-T725 PolarHBondContact O-N 3.48Å; E721-T725 PolarHBondContact O-OG1 2.95Å
722	R	80.5	Confident	82.8	Confident	222 Å²	222	65.5 Å²	65.5	84%	0.838	33%	0.327	S	S	*	.	H	α-helix	trans	-62.2	-43.6	176.2	-68.1	-175.6	176.6	177.9	-2	112.3	S720 K726	S720-R722 PolarHBondContact O-N 2.89Å; R722-K726 VanDerWaalsContact O-CB 3.3Å; R722-K726 WeakPolarHBondContact O-CB 3.29Å; R722-K726 PolarHBondContact O-N 2.81Å
723	A	82.7	Confident	82.2	Confident	24 Å²	24	68.1 Å²	68.1	20%	0.198	33%	0.333	C	S	.	.	H	α-helix	trans	-65.7	-43.1	179.1	0	0	0	0	0	111.2	L691 S720 K726 V727	L691-A723 HydrophobicContact CD1-CB 3.69Å; S720-A723 PolarHBondContact O-N 3.31Å; S720-A723 VanDerWaalsContact OG-CB 3.29Å; S720-A723 WeakPolarHBondContact OG-CB 3.36Å; S720-A723 PolarHBondContact OG-N 3.29Å; A723-K726 PolarHBondContact O-N 2.8Å; A723-V727 WeakPolarHBondContact O-CG2 3.49Å; A723-V727 PolarHBondContact O-N 3.19Å
724	V	83.9	Confident	81.9	Confident	0 Å²	0	71.8 Å²	71.8	0%	0	34%	0.343	C	S	.	.	H	α-helix	trans	-62.9	-46.1	178.4	-178.8	0	0	0	0	111.1	L691 I710 I711 F714 F719 S720 E721 K726 V727 L728	L691-V724 HydrophobicContact CD2-CG2 4.01Å; I710-V724 HydrophobicContact CG2-CG1 4.16Å; I711-V724 HydrophobicContact CG1-CG1 4.5Å; F714-V724 HydrophobicContact CB-CG1 4.23Å; F714-V724 HydrophobicContact CB-CG2 3.51Å; F714-V724 HydrophobicContact CD2-CG1 4.26Å; F714-V724 HydrophobicContact CG-CG1 4.4Å; F714-V724 HydrophobicContact CG-CG2 4.16Å; F719-V724 HydrophobicContact CB-CG2 4.1Å; S720-V724 PolarHBondContact O-N 3.06Å; E721-V724 PolarHBondContact O-N 2.83Å; V724-K726 VanDerWaalsContact C-N 3.31Å; V724-K726 PolarHBondContact O-N 3.22Å; V724-V727 PolarHBondContact O-N 3.4Å; V724-L728 HydrophobicContact CG1-CD1 4.16Å; V724-L728 WeakPolarHBondContact O-CB 3.34Å; V724-L728 PolarHBondContact O-N 3.42Å
725	T	84	Confident	81.6	Confident	53 Å²	53	73.2 Å²	73.2	33%	0.325	36%	0.359	S	S	.	.	H	α-helix	trans	-62.4	-40	178.3	-51.6	0	0	0	0	111.3	E721 L728 H729	E721-T725 WeakPolarHBondContact O-CB 3.32Å; E721-T725 PolarHBondContact O-N 3.48Å; E721-T725 PolarHBondContact O-OG1 2.95Å; T725-L728 PolarHBondContact O-N 3.5Å; T725-H729 WeakPolarHBondContact O-CB 3.31Å; T725-H729 PolarHBondContact O-N 3.24Å
726	K	79.4	Confident	81.4	Confident	97 Å²	97	71.3 Å²	71.3	42%	0.422	35%	0.345	S	S	.	.	H	α-helix	trans	-62.8	-46.2	176.6	-166.3	175.6	-177.4	179.8	0	111.5	R722 A723 V724 H729 Y730	R722-K726 VanDerWaalsContact O-CB 3.3Å; R722-K726 WeakPolarHBondContact O-CB 3.29Å; R722-K726 PolarHBondContact O-N 2.81Å; A723-K726 PolarHBondContact O-N 2.8Å; V724-K726 VanDerWaalsContact C-N 3.31Å; V724-K726 PolarHBondContact O-N 3.22Å; K726-H729 WeakPolarHBondContact O-CB 3.38Å; K726-H729 PolarHBondContact O-N 2.9Å; K726-Y730 HydrophobicContact CD-CE2 4.32Å; K726-Y730 VanDerWaalsContact CE-OH 3.23Å; K726-Y730 WeakPolarHBondContact CE-OH 3.45Å; K726-Y730 HydrophobicContact CG-CD2 4.35Å; K726-Y730 HydrophobicContact CG-CE2 3.71Å; K726-Y730 VanDerWaalsContact O-CD2 3.24Å; K726-Y730 WeakPolarHBondContact O-CD2 3.48Å; K726-Y730 PolarHBondContact O-N 3.46Å
727	V	83.7	Confident	81.3	Confident	2 Å²	2	62.9 Å²	62.9	1%	0.012	31%	0.314	C	S	.	.	H	α-helix	trans	-65	-42.7	176.7	179.2	0	0	0	0	111.8	V688 L691 E692 L695 A723 V724 H729 Y730 M731	V688-V727 HydrophobicContact CB-CG2 4.47Å; V688-V727 HydrophobicContact CG1-CG2 4.1Å; V688-V727 HydrophobicContact CG2-CG2 4.36Å; L691-V727 HydrophobicContact CB-CG2 4.02Å; L691-V727 HydrophobicContact CD1-CG2 4.26Å; E692-V727 HydrophobicContact CB-CG1 4.06Å; E692-V727 HydrophobicContact CG-CG1 4.46Å; L695-V727 HydrophobicContact CD1-CB 4.08Å; L695-V727 HydrophobicContact CD1-CG1 3.53Å; A723-V727 WeakPolarHBondContact O-CG2 3.49Å; A723-V727 PolarHBondContact O-N 3.19Å; V724-V727 PolarHBondContact O-N 3.4Å; V727-H729 VanDerWaalsContact C-N 3.31Å; V727-H729 PolarHBondContact O-N 3.42Å; V727-Y730 WeakPolarHBondContact O-CB 3.38Å; V727-Y730 PolarHBondContact O-N 2.98Å; V727-Y730 VanDerWaalsContact O-N 3.16Å; V727-M731 WeakPolarHBondContact O-CG 3.31Å; V727-M731 PolarHBondContact O-N 3.28Å
728	L	84.1	Confident	81.4	Confident	4 Å²	4	63.8 Å²	63.8	2%	0.021	32%	0.318	C	S	.	.	H	α-helix	trans	-58.5	-44.5	174.2	-83.9	170.2	0	0	0	111.5	L695 E707 I710 V724 T725 Y730 M731 I732 L746	L695-L728 HydrophobicContact CD2-CD2 4.16Å; E707-L728 HydrophobicContact CG-CD1 4.33Å; I710-L728 HydrophobicContact CD1-CD2 4.2Å; I710-L728 HydrophobicContact CG2-CD1 4.11Å; V724-L728 HydrophobicContact CG1-CD1 4.16Å; V724-L728 WeakPolarHBondContact O-CB 3.34Å; V724-L728 PolarHBondContact O-N 3.42Å; T725-L728 PolarHBondContact O-N 3.5Å; L728-Y730 VanDerWaalsContact C-N 3.3Å; L728-Y730 PolarHBondContact O-N 2.94Å; L728-M731 PolarHBondContact O-N 3.42Å; L728-I732 WeakPolarHBondContact O-CD1 3.16Å; L728-I732 WeakPolarHBondContact O-CG1 3.39Å; L728-I732 PolarHBondContact O-N 3.31Å; L728-L746 HydrophobicContact CD1-CD1 4.22Å; L728-L746 HydrophobicContact CD2-CD1 3.6Å; L728-L746 HydrophobicContact CG-CD1 4.5Å
729	H	80.4	Confident	81.6	Confident	108 Å²	108	63.9 Å²	63.9	50%	0.5	30%	0.297	S	S	.	.	H	α-helix	trans	-60.8	-40.4	176.4	-154.8	87.4	0	0	0	111.7	T725 K726 V727 I732 R733	T725-H729 WeakPolarHBondContact O-CB 3.31Å; T725-H729 PolarHBondContact O-N 3.24Å; K726-H729 WeakPolarHBondContact O-CB 3.38Å; K726-H729 PolarHBondContact O-N 2.9Å; V727-H729 VanDerWaalsContact C-N 3.31Å; V727-H729 PolarHBondContact O-N 3.42Å; H729-I732 PolarHBondContact O-N 2.91Å; H729-R733 WeakPolarHBondContact O-CB 3.33Å; H729-R733 PolarHBondContact O-N 3.02Å
730	Y	80	Confident	81.5	Confident	68 Å²	68	68 Å²	68	27%	0.267	31%	0.312	S	S	.	.	H	α-helix	trans	-63.8	-43.7	173.8	-67.3	-42.7	0	0	0	113	K726 V727 L728 I732 R733 R734	K726-Y730 HydrophobicContact CD-CE2 4.32Å; K726-Y730 VanDerWaalsContact CE-OH 3.23Å; K726-Y730 WeakPolarHBondContact CE-OH 3.45Å; K726-Y730 HydrophobicContact CG-CD2 4.35Å; K726-Y730 HydrophobicContact CG-CE2 3.71Å; K726-Y730 VanDerWaalsContact O-CD2 3.24Å; K726-Y730 WeakPolarHBondContact O-CD2 3.48Å; K726-Y730 PolarHBondContact O-N 3.46Å; V727-Y730 WeakPolarHBondContact O-CB 3.38Å; V727-Y730 PolarHBondContact O-N 2.98Å; V727-Y730 VanDerWaalsContact O-N 3.16Å; L728-Y730 VanDerWaalsContact C-N 3.3Å; L728-Y730 PolarHBondContact O-N 2.94Å; Y730-I732 VanDerWaalsContact C-N 3.3Å; Y730-I732 PolarHBondContact O-N 2.78Å; Y730-R733 WeakPolarHBondContact O-CB 3.23Å; Y730-R733 PolarHBondContact O-N 3.5Å; Y730-R734 WeakPolarHBondContact O-CG 3.35Å; Y730-R734 PolarHBondContact O-N 3.43Å
731	M	80.7	Confident	81.2	Confident	4 Å²	4	71.2 Å²	71.2	2%	0.02	32%	0.32	C	S	.	.	H	α-helix	trans	-64	-36.9	176.9	-69.9	-175	77.4	0	0	112.1	L695 K696 V727 L728 R733 G735 E736 V737	L695-M731 HydrophobicContact CB-SD 3.99Å; L695-M731 HydrophobicContact CD1-SD 4.42Å; K696-M731 HydrophobicContact CG-CE 3.87Å; V727-M731 WeakPolarHBondContact O-CG 3.31Å; V727-M731 PolarHBondContact O-N 3.28Å; L728-M731 PolarHBondContact O-N 3.42Å; M731-R733 VanDerWaalsContact C-N 3.33Å; M731-G735 PolarHBondContact O-N 2.97Å; M731-E736 HydrophobicContact CB-CB 4.49Å; M731-E736 HydrophobicContact CE-CB 4.44Å; M731-E736 VanDerWaalsContact CE-OE2 3.3Å; M731-E736 WeakPolarHBondContact CE-OE2 3.43Å; M731-E736 WeakPolarHBondContact O-CB 3.46Å; M731-E736 PolarHBondContact O-N 2.87Å; M731-V737 HydrophobicContact CB-CB 4.47Å; M731-V737 HydrophobicContact CB-CG2 3.98Å; M731-V737 HydrophobicContact CE-CG2 3.88Å; M731-V737 PolarHBondContact O-N 3.05Å
732	I	83.3	Confident	80.8	Confident	38 Å²	38	74.5 Å²	74.5	20%	0.195	34%	0.336	C	S	.	.	H	α-helix	trans	-67.5	-39.9	176.7	-66	164.7	0	0	0	110.7	L728 H729 Y730 G735 V737 Y739 L746	L728-I732 WeakPolarHBondContact O-CD1 3.16Å; L728-I732 WeakPolarHBondContact O-CG1 3.39Å; L728-I732 PolarHBondContact O-N 3.31Å; H729-I732 PolarHBondContact O-N 2.91Å; Y730-I732 VanDerWaalsContact C-N 3.3Å; Y730-I732 PolarHBondContact O-N 2.78Å; I732-G735 PolarHBondContact O-N 2.83Å; I732-G735 VanDerWaalsContact O-N 3.12Å; I732-V737 VanDerWaalsContact CA-O 3.28Å; I732-V737 WeakPolarHBondContact CA-O 3.49Å; I732-V737 HydrophobicContact CG1-CB 4.04Å; I732-V737 HydrophobicContact CG1-CG1 4.26Å; I732-Y739 HydrophobicContact CD1-CD2 4.12Å; I732-Y739 HydrophobicContact CD1-CE1 4.17Å; I732-Y739 HydrophobicContact CD1-CE2 3.41Å; I732-Y739 VanDerWaalsContact CD1-CE2 3.41Å; I732-Y739 VanDerWaalsContact CD1-CZ 3.42Å; I732-Y739 WeakPolarHBondContact CD1-OH 3.26Å; I732-Y739 HydrophobicContact CG2-CD2 4.36Å; I732-Y739 HydrophobicContact CG2-CE2 4.26Å; I732-L746 HydrophobicContact CD1-CD2 3.59Å; I732-L746 HydrophobicContact CG1-CD2 4.12Å
733	R	73.1	Confident	80.4	Confident	130 Å²	130	72.9 Å²	72.9	49%	0.491	33%	0.33	S	S	.	.	H	α-helix	trans	-65.3	-40.9	177.4	-162.7	-168.9	-151.8	93.8	41.9	113.1	T508 H729 Y730 M731 G735	T508-R733 PolarHBondContact OG1-NH2 3.36Å; H729-R733 WeakPolarHBondContact O-CB 3.33Å; H729-R733 PolarHBondContact O-N 3.02Å; Y730-R733 WeakPolarHBondContact O-CB 3.23Å; Y730-R733 PolarHBondContact O-N 3.5Å; M731-R733 VanDerWaalsContact C-N 3.33Å; R733-G735 PolarHBondContact O-N 2.93Å; R733-G735 VanDerWaalsContact O-N 3.16Å
734	R	79.2	Confident	80	Confident	133 Å²	133	80.7 Å²	80.7	50%	0.502	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-7.4	174.6	-71.6	178.6	175.9	170.7	-0.7	112.9	E692 Y730 E736	E692-R734 IonicContact OE1-NH1 3.2Å; E692-R734 PolarHBondContact OE1-NH1 2.99Å; E692-R734 IonicContact OE2-NH1 2.67Å; E692-R734 PolarHBondContact OE2-NH1 3.21Å; Y730-R734 WeakPolarHBondContact O-CG 3.35Å; Y730-R734 PolarHBondContact O-N 3.43Å; R734-E736 HydrophobicContact CB-CG 4.04Å; R734-E736 PolarHBondContact O-N 3.33Å
735	G	78.1	Confident	80	Confident	34 Å²	34	82.8 Å²	82.8	35%	0.351	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	71.7	15.8	-175.6	0	0	0	0	0	113.3	M731 I732 R733	M731-G735 PolarHBondContact O-N 2.97Å; I732-G735 PolarHBondContact O-N 2.83Å; I732-G735 VanDerWaalsContact O-N 3.12Å; R733-G735 PolarHBondContact O-N 2.93Å; R733-G735 VanDerWaalsContact O-N 3.16Å
736	E	82.2	Confident	80	Confident	29 Å²	29	80.3 Å²	80.3	14%	0.136	35%	0.35	C	S	.	.	S	Bend	trans	-72.5	-36.5	173.2	-64.4	-177.8	173.8	0	0	110.1	K696 M731 R734 R748 I749 K750	K696-E736 VanDerWaalsContact CE-CD 3.47Å; K696-E736 WeakPolarHBondContact CE-OE1 3.42Å; K696-E736 WeakPolarHBondContact CE-OE2 3.48Å; K696-E736 IonicContact NZ-OE1 2.69Å; K696-E736 PolarHBondContact NZ-OE1 3.18Å; K696-E736 IonicContact NZ-OE2 2.59Å; K696-E736 PolarHBondContact NZ-OE2 3.32Å; M731-E736 HydrophobicContact CB-CB 4.49Å; M731-E736 HydrophobicContact CE-CB 4.44Å; M731-E736 VanDerWaalsContact CE-OE2 3.3Å; M731-E736 WeakPolarHBondContact CE-OE2 3.43Å; M731-E736 WeakPolarHBondContact O-CB 3.46Å; M731-E736 PolarHBondContact O-N 2.87Å; R734-E736 HydrophobicContact CB-CG 4.04Å; R734-E736 PolarHBondContact O-N 3.33Å; E736-R748 CarbonylContact O-C 3.46Å; E736-R748 WeakPolarHBondContact O-CA 3.34Å; E736-R748 WeakPolarHBondContact O-CG 3.29Å; E736-I749 PolarHBondContact O-N 3.33Å; E736-K750 WeakPolarHBondContact CB-OXT 3.29Å; E736-K750 PolarHBondContact O-N 3.39Å
737	V	82.9	Confident	80.2	Confident	6 Å²	6	78.6 Å²	78.6	4%	0.036	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	142	-177.4	-173.8	0	0	0	0	110.7	M731 I732 L746 Y747 R748	M731-V737 HydrophobicContact CB-CB 4.47Å; M731-V737 HydrophobicContact CB-CG2 3.98Å; M731-V737 HydrophobicContact CE-CG2 3.88Å; M731-V737 PolarHBondContact O-N 3.05Å; I732-V737 VanDerWaalsContact CA-O 3.28Å; I732-V737 WeakPolarHBondContact CA-O 3.49Å; I732-V737 HydrophobicContact CG1-CB 4.04Å; I732-V737 HydrophobicContact CG1-CG1 4.26Å; V737-L746 HydrophobicContact CG1-CB 3.68Å; V737-L746 HydrophobicContact CG1-CD2 3.65Å; V737-L746 HydrophobicContact CG1-CG 4.18Å; V737-Y747 CarbonylContact C-O 3.56Å; V737-Y747 WeakPolarHBondContact CA-O 3.38Å; V737-R748 HydrophobicContact CG2-CB 4.35Å; V737-R748 HydrophobicContact CG2-CG 4.36Å
738	Q	84.7	Confident	80.2	Confident	97 Å²	97	79.6 Å²	79.6	45%	0.453	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	139.4	178.7	-170.8	-178.6	29.7	0	0	111.1	Y747 I749	Q738-Y747 PolarHBondContact N-O 3.02Å; Q738-Y747 PolarHBondContact O-N 2.85Å; Q738-I749 HydrophobicContact CB-CD1 3.74Å; Q738-I749 HydrophobicContact CB-CG1 4.37Å
739	Y	84.6	Confident	80	Confident	71 Å²	71	83.1 Å²	83.1	28%	0.278	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69	132.2	170.1	-74.2	-67.5	0	0	0	111.3	I732 R743 L746	I732-Y739 HydrophobicContact CD1-CD2 4.12Å; I732-Y739 HydrophobicContact CD1-CE1 4.17Å; I732-Y739 HydrophobicContact CD1-CE2 3.41Å; I732-Y739 VanDerWaalsContact CD1-CE2 3.41Å; I732-Y739 VanDerWaalsContact CD1-CZ 3.42Å; I732-Y739 WeakPolarHBondContact CD1-OH 3.26Å; I732-Y739 HydrophobicContact CG2-CD2 4.36Å; I732-Y739 HydrophobicContact CG2-CE2 4.26Å; Y739-R743 HydrophobicContact CD1-CB 3.87Å; Y739-R743 HydrophobicContact CD1-CG 4.15Å; Y739-R743 HydrophobicContact CD2-CG 4.34Å; Y739-R743 HydrophobicContact CE1-CB 4.15Å; Y739-R743 HydrophobicContact CG-CB 4.26Å; Y739-R743 HydrophobicContact CG-CG 4.04Å; Y739-L746 HydrophobicContact CD1-CD2 3.61Å; Y739-L746 HydrophobicContact CD1-CG 4.39Å; Y739-L746 HydrophobicContact CE1-CD2 3.51Å; Y739-L746 HydrophobicContact CE1-CG 4.27Å; Y739-L746 HydrophobicContact CG-CD2 4.28Å
740	R	79.4	Confident	79.4	Confident	119 Å²	119	85.3 Å²	85.3	45%	0.449	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	162.8	165	-75.2	-165.5	173.7	-167.9	0.2	110.1	I745	R740-I745 PolarHBondContact N-O 3.39Å; R740-I745 PolarHBondContact O-N 3.32Å
741	M	75	Confident	79.4	Confident	141 Å²	141	86.2 Å²	86.2	70%	0.695	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.5	64	176.1	-62.8	-66.3	-166.4	0	0	113.3	R743 R744 I745	M741-R743 VanDerWaalsContact C-N 3.34Å; M741-R743 PolarHBondContact O-N 2.86Å; M741-R744 WeakPolarHBondContact O-CB 3.35Å; M741-R744 PolarHBondContact O-N 2.88Å; M741-I745 HydrophobicContact CB-CD1 4.12Å; M741-I745 HydrophobicContact CB-CG1 4.36Å; M741-I745 HydrophobicContact CG-CD1 3.95Å
742	Q	75.9	Confident	79.3	Confident	184 Å²	184	90.5 Å²	90.5	86%	0.86	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.6	46.8	175.9	-61.1	177.4	-14.7	0	0	113.6	R744	Q742-R744 PolarHBondContact O-N 3.27Å
743	R	71.7	Confident	79.1	Confident	189 Å²	189	93.4 Å²	93.4	71%	0.713	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.7	14.6	-178.8	-57.8	-177.5	175.6	-177.6	-1.9	115.8	Y739 M741	Y739-R743 HydrophobicContact CD1-CB 3.87Å; Y739-R743 HydrophobicContact CD1-CG 4.15Å; Y739-R743 HydrophobicContact CD2-CG 4.34Å; Y739-R743 HydrophobicContact CE1-CB 4.15Å; Y739-R743 HydrophobicContact CG-CB 4.26Å; Y739-R743 HydrophobicContact CG-CG 4.04Å; M741-R743 VanDerWaalsContact C-N 3.34Å; M741-R743 PolarHBondContact O-N 2.86Å
744	R	74.8	Confident	79.4	Confident	188 Å²	188	91.3 Å²	91.3	71%	0.709	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.3	-28.1	177.1	-67.9	-173.9	170.6	-168.8	-2.6	113.7	S706 E707 M741 Q742	S706-R744 WeakPolarHBondContact CA-O 3.31Å; E707-R744 PolarHBondContact N-O 3.39Å; M741-R744 WeakPolarHBondContact O-CB 3.35Å; M741-R744 PolarHBondContact O-N 2.88Å; Q742-R744 PolarHBondContact O-N 3.27Å
745	I	82	Confident	79.5	Confident	44 Å²	44	88.7 Å²	88.7	23%	0.226	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	134.6	-171.7	-59.2	176.5	0	0	0	109.3	Q704 R740 M741	Q704-I745 HydrophobicContact CB-CG2 3.78Å; Q704-I745 HydrophobicContact CG-CG2 4.24Å; R740-I745 PolarHBondContact N-O 3.39Å; R740-I745 PolarHBondContact O-N 3.32Å; M741-I745 HydrophobicContact CB-CD1 4.12Å; M741-I745 HydrophobicContact CB-CG1 4.36Å; M741-I745 HydrophobicContact CG-CD1 3.95Å
746	L	83.9	Confident	79.5	Confident	1 Å²	1	92.3 Å²	92.3	1%	0.005	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	130.4	173.3	-70.8	165.4	0	0	0	108.9	F699 Q704 V705 E707 I710 L728 I732 V737 Y739	F699-L746 WeakPolarHBondContact CE1-O 3.11Å; F699-L746 HydrophobicContact CZ-CB 3.97Å; F699-L746 WeakPolarHBondContact CZ-O 3.24Å; Q704-L746 WeakPolarHBondContact CA-O 3.48Å; V705-L746 PolarHBondContact N-O 3.41Å; V705-L746 VanDerWaalsContact N-O 3.12Å; V705-L746 PolarHBondContact O-N 3.1Å; E707-L746 HydrophobicContact CB-CD1 3.98Å; E707-L746 HydrophobicContact CB-CG 4.5Å; E707-L746 HydrophobicContact CG-CD1 4.2Å; I710-L746 HydrophobicContact CD1-CD1 3.62Å; L728-L746 HydrophobicContact CD1-CD1 4.22Å; L728-L746 HydrophobicContact CD2-CD1 3.6Å; L728-L746 HydrophobicContact CG-CD1 4.5Å; I732-L746 HydrophobicContact CD1-CD2 3.59Å; I732-L746 HydrophobicContact CG1-CD2 4.12Å; V737-L746 HydrophobicContact CG1-CB 3.68Å; V737-L746 HydrophobicContact CG1-CD2 3.65Å; V737-L746 HydrophobicContact CG1-CG 4.18Å; Y739-L746 HydrophobicContact CD1-CD2 3.61Å; Y739-L746 HydrophobicContact CD1-CG 4.39Å; Y739-L746 HydrophobicContact CE1-CD2 3.51Å; Y739-L746 HydrophobicContact CE1-CG 4.27Å; Y739-L746 HydrophobicContact CG-CD2 4.28Å
747	Y	84.3	Confident	79.4	Confident	60 Å²	60	96.9 Å²	96.9	24%	0.235	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	124.4	177.8	177.6	-105.4	0	0	0	109.7	G702 Q704 V737 Q738 I749	G702-Y747 VanDerWaalsContact O-CE2 3.31Å; G702-Y747 WeakPolarHBondContact O-CE2 3.49Å; Q704-Y747 HydrophobicContact CG-CD2 3.59Å; Q704-Y747 HydrophobicContact CG-CE2 4.36Å; Q704-Y747 HydrophobicContact CG-CG 4.48Å; V737-Y747 CarbonylContact C-O 3.56Å; V737-Y747 WeakPolarHBondContact CA-O 3.38Å; Q738-Y747 PolarHBondContact N-O 3.02Å; Q738-Y747 PolarHBondContact O-N 2.85Å; Y747-I749 HydrophobicContact CD1-CG1 3.87Å; Y747-I749 HydrophobicContact CE1-CG1 4.02Å
748	R	83.1	Confident	79.1	Confident	24 Å²	24	103.8 Å²	103.8	9%	0.091	45%	0.445	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	120.5	179.7	-176.4	172.6	179.7	-167.5	-4.9	111.7	K696 F699 G702 S703 E736 V737 K750	K696-R748 VanDerWaalsContact CA-NH1 3.32Å; K696-R748 PolarHBondContact O-NH1 3.44Å; F699-R748 HydrophobicContact CD1-CB 3.42Å; F699-R748 VanDerWaalsContact CD1-CB 3.42Å; F699-R748 HydrophobicContact CD1-CG 4.4Å; F699-R748 HydrophobicContact CE1-CB 3.92Å; F699-R748 HydrophobicContact CG-CB 4.45Å; F699-R748 WeakPolarHBondContact O-CD 3.31Å; F699-R748 PolarHBondContact O-NH1 3.14Å; G702-R748 PolarHBondContact N-O 3.06Å; S703-R748 PolarHBondContact O-N 3.35Å; E736-R748 CarbonylContact O-C 3.46Å; E736-R748 WeakPolarHBondContact O-CA 3.34Å; E736-R748 WeakPolarHBondContact O-CG 3.29Å; V737-R748 HydrophobicContact CG2-CB 4.35Å; V737-R748 HydrophobicContact CG2-CG 4.36Å; R748-K750 WeakPolarHBondContact CG-OXT 3.45Å; R748-K750 PolarHBondContact NE-O 3.37Å; R748-K750 PolarHBondContact NE-OXT 3.18Å; R748-K750 PolarHBondContact NH2-O 3.05Å
749	I	80.1	Confident	78.6	Confident	77 Å²	77	104.4 Å²	104.4	40%	0.395	44%	0.444	S	S	.	.			trans	-92	-40.4	-178.7	-54.3	173.9	0	0	0	111	E736 Q738 Y747	E736-I749 PolarHBondContact O-N 3.33Å; Q738-I749 HydrophobicContact CB-CD1 3.74Å; Q738-I749 HydrophobicContact CB-CG1 4.37Å; Y747-I749 HydrophobicContact CD1-CG1 3.87Å; Y747-I749 HydrophobicContact CE1-CG1 4.02Å
750	K	68.5	Low	78.1	Confident	155 Å²	155	107.5 Å²	107.5	67%	0.674	46%	0.459	S	S	*	.			trans	-134.6	0	-179.7	-64.9	178	178.1	177.5	0	109	E736 R748	E736-K750 WeakPolarHBondContact CB-OXT 3.29Å; E736-K750 PolarHBondContact O-N 3.39Å; R748-K750 WeakPolarHBondContact CG-OXT 3.45Å; R748-K750 PolarHBondContact NE-O 3.37Å; R748-K750 PolarHBondContact NE-OXT 3.18Å; R748-K750 PolarHBondContact NH2-O 3.05Å

Retrieved 750 of 750 residues in 1584.7 ms (Link to these results)

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