A0A093I487_STRCA Loading...

RING-type E3 ubiquitin transferase

AlphaFold DB , UniProt , Accession A0A093I487, Species STRCA (Struthio camelus australis), Gene n/a, Length 595 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	47.2	Very low	50.6	Low	238 Å²	238	124.5 Å²	124.5	100%	1.172	71%	0.71	S	S	*	*				0	102.1	0	-75.9	155.5	139.7	0	0	105.7
2	E	48.6	Very low	51.3	Low	195 Å²	195	120.4 Å²	120.4	91%	0.911	68%	0.683	S	S	*	*			trans	-178.8	56.4	-179.9	-109.4	156.5	-162.1	0	0	110.5
3	S	43.6	Very low	52	Low	116 Å²	116	119.2 Å²	119.2	81%	0.811	67%	0.673	S	S	*	*			trans	-159.7	52.9	-179.4	-62.7	0	0	0	0	112.2
4	S	49.8	Very low	52.5	Low	111 Å²	111	120.2 Å²	120.2	78%	0.776	67%	0.67	S	S	*	*			trans	-145.5	-1.5	-174.7	-49.9	0	0	0	0	115.5
5	D	49.1	Very low	53.8	Low	137 Å²	137	116.5 Å²	116.5	73%	0.733	66%	0.655	S	S	*	*	S	Bend	trans	-109.3	11.3	-164.8	-153.5	29.4	0	0	0	113.7
6	S	52.3	Low	55.3	Low	96 Å²	96	114.3 Å²	114.3	67%	0.671	64%	0.638	S	S	*	*	S	Bend	trans	-101.1	-21.6	-178.6	53.4	0	0	0	0	114.2
7	S	51.8	Low	56.5	Low	96 Å²	96	111.1 Å²	111.1	67%	0.671	63%	0.63	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.5	-30.8	-174.7	-55.2	0	0	0	0	113.6
8	D	51.4	Low	57.7	Low	102 Å²	102	112 Å²	112	55%	0.545	63%	0.628	S	S	.	*	T	Hydrogen-bonded Turn	trans	-76.4	-41.7	-172.6	-156.6	32.4	0	0	0	111.8	G10 N11 I12	D8-G10 VanDerWaalsContact C-N 3.34Å; D8-G10 PolarHBondContact O-N 3.07Å; D8-N11 WeakPolarHBondContact O-CB 3.39Å; D8-N11 PolarHBondContact O-N 3.32Å; D8-I12 WeakPolarHBondContact O-CG1 3.46Å; D8-I12 PolarHBondContact O-N 3.16Å
9	K	54	Low	58.9	Low	137 Å²	137	112.3 Å²	112.3	60%	0.596	62%	0.618	S	S	*	*	H	α-helix	trans	-55.9	-45.3	174.2	-69.5	-173.6	177.4	-179.9	0	112.6	N11 I12 D13	K9-N11 PolarHBondContact O-N 2.85Å; K9-N11 VanDerWaalsContact O-N 3.11Å; K9-I12 PolarHBondContact O-N 2.82Å; K9-D13 WeakPolarHBondContact O-CB 3.47Å; K9-D13 PolarHBondContact O-N 3.35Å
10	G	55.2	Low	60.1	Low	33 Å²	33	112.8 Å²	112.8	34%	0.34	62%	0.615	S	S	.	*	H	α-helix	trans	-63.3	-17.7	177.9	0	0	0	0	0	114.3	D8 Q14	D8-G10 VanDerWaalsContact C-N 3.34Å; D8-G10 PolarHBondContact O-N 3.07Å; G10-Q14 WeakPolarHBondContact O-CG 3.4Å; G10-Q14 PolarHBondContact O-NE2 3.19Å
11	N	53.9	Low	61	Low	108 Å²	108	110.9 Å²	110.9	58%	0.578	61%	0.61	S	S	*	*	H	α-helix	trans	-92.4	-40.5	175.6	-155.3	24.4	0	0	0	111.1	D8 K9 Q14 S15	D8-N11 WeakPolarHBondContact O-CB 3.39Å; D8-N11 PolarHBondContact O-N 3.32Å; K9-N11 PolarHBondContact O-N 2.85Å; K9-N11 VanDerWaalsContact O-N 3.11Å; N11-Q14 PolarHBondContact O-N 2.75Å; N11-S15 PolarHBondContact O-N 3.04Å
12	I	59.1	Low	62.6	Low	76 Å²	76	104.8 Å²	104.8	39%	0.39	58%	0.579	S	S	.	*	H	α-helix	trans	-59.2	-52.5	171.5	-66.2	166.1	0	0	0	110.1	D8 K9 Q14 S15 E16	D8-I12 WeakPolarHBondContact O-CG1 3.46Å; D8-I12 PolarHBondContact O-N 3.16Å; K9-I12 PolarHBondContact O-N 2.82Å; I12-Q14 PolarHBondContact O-N 2.88Å; I12-S15 CarbonylContact O-C 3.49Å; I12-S15 WeakPolarHBondContact O-CA 3.44Å; I12-S15 PolarHBondContact O-N 2.85Å; I12-S15 PolarHBondContact O-OG 3.17Å; I12-E16 HydrophobicContact CG2-CG 4.17Å; I12-E16 WeakPolarHBondContact O-CG 3.47Å; I12-E16 PolarHBondContact O-N 3.3Å
13	D	59.7	Low	64.3	Low	104 Å²	104	100 Å²	100	56%	0.556	56%	0.559	S	S	*	*	H	α-helix	trans	-57.5	-36.1	179.5	-65.7	-19.5	0	0	0	112.1	K9 A17	K9-D13 WeakPolarHBondContact O-CB 3.47Å; K9-D13 PolarHBondContact O-N 3.35Å; D13-A17 VanDerWaalsContact O-CB 3.28Å; D13-A17 WeakPolarHBondContact O-CB 3.44Å; D13-A17 PolarHBondContact O-N 3.08Å
14	Q	59.5	Low	66.1	Low	134 Å²	134	97.6 Å²	97.6	63%	0.626	54%	0.538	S	S	*	.	H	α-helix	trans	-69	-42.4	173.5	-81.9	178.2	88.1	0	0	112.2	G10 N11 I12 E16 A17 Q18	G10-Q14 WeakPolarHBondContact O-CG 3.4Å; G10-Q14 PolarHBondContact O-NE2 3.19Å; N11-Q14 PolarHBondContact O-N 2.75Å; I12-Q14 PolarHBondContact O-N 2.88Å; Q14-E16 VanDerWaalsContact C-N 3.33Å; Q14-E16 PolarHBondContact O-N 2.99Å; Q14-A17 PolarHBondContact O-N 3.47Å; Q14-Q18 WeakPolarHBondContact O-CB 3.33Å; Q14-Q18 PolarHBondContact O-N 3.48Å
15	S	71.3	Confident	67.6	Low	64 Å²	64	98.8 Å²	98.8	45%	0.448	53%	0.525	S	S	.	.	H	α-helix	trans	-65.3	-36.1	175.2	75.9	0	0	0	0	112.4	N11 I12 Q18 R19	N11-S15 PolarHBondContact O-N 3.04Å; I12-S15 CarbonylContact O-C 3.49Å; I12-S15 WeakPolarHBondContact O-CA 3.44Å; I12-S15 PolarHBondContact O-N 2.85Å; I12-S15 PolarHBondContact O-OG 3.17Å; S15-Q18 PolarHBondContact O-N 3.33Å; S15-R19 WeakPolarHBondContact O-CB 3.43Å; S15-R19 PolarHBondContact O-N 2.92Å
16	E	77.9	Confident	69.2	Low	82 Å²	82	96.8 Å²	96.8	38%	0.383	51%	0.514	S	S	.	.	H	α-helix	trans	-71.5	-41.8	176.2	-62.2	-133.4	121.9	0	0	111	I12 Q14 Q18 R19 Q20	I12-E16 HydrophobicContact CG2-CG 4.17Å; I12-E16 WeakPolarHBondContact O-CG 3.47Å; I12-E16 PolarHBondContact O-N 3.3Å; Q14-E16 VanDerWaalsContact C-N 3.33Å; Q14-E16 PolarHBondContact O-N 2.99Å; E16-Q18 VanDerWaalsContact C-N 3.34Å; E16-Q18 PolarHBondContact O-N 3.11Å; E16-R19 VanDerWaalsContact CD-NH2 3.25Å; E16-R19 PolarHBondContact O-N 3.2Å; E16-R19 IonicContact OE1-CZ 3.47Å; E16-R19 IonicContact OE1-NH1 2.85Å; E16-R19 PolarHBondContact OE1-NH1 3Å; E16-R19 IonicContact OE1-NH2 3.87Å; E16-R19 PolarHBondContact OE1-NH2 2.72Å; E16-R19 IonicContact OE2-NH2 2.68Å; E16-Q20 VanDerWaalsContact O-CB 3.31Å; E16-Q20 WeakPolarHBondContact O-CB 3.5Å; E16-Q20 PolarHBondContact O-N 3.02Å
17	A	76.1	Confident	70.6	Confident	60 Å²	60	97.5 Å²	97.5	50%	0.496	51%	0.51	S	S	.	.	H	α-helix	trans	-62.3	-39.1	172.9	0	0	0	0	0	112.5	D13 Q14 Q20 S21	D13-A17 VanDerWaalsContact O-CB 3.28Å; D13-A17 WeakPolarHBondContact O-CB 3.44Å; D13-A17 PolarHBondContact O-N 3.08Å; Q14-A17 PolarHBondContact O-N 3.47Å; A17-Q20 PolarHBondContact O-N 2.98Å; A17-S21 WeakPolarHBondContact O-CB 3.45Å; A17-S21 PolarHBondContact O-N 2.8Å
18	Q	77.9	Confident	72	Confident	127 Å²	127	97 Å²	97	59%	0.593	49%	0.494	S	S	*	.	H	α-helix	trans	-66.1	-43.4	174.4	-173.8	173.1	-1.2	0	0	111.6	Q14 S15 E16 S21 Q22	Q14-Q18 WeakPolarHBondContact O-CB 3.33Å; Q14-Q18 PolarHBondContact O-N 3.48Å; S15-Q18 PolarHBondContact O-N 3.33Å; E16-Q18 VanDerWaalsContact C-N 3.34Å; E16-Q18 PolarHBondContact O-N 3.11Å; Q18-S21 PolarHBondContact O-N 2.81Å; Q18-Q22 WeakPolarHBondContact O-CG 3.4Å; Q18-Q22 PolarHBondContact O-N 2.83Å
19	R	81.3	Confident	73.4	Confident	117 Å²	117	94 Å²	94	44%	0.442	48%	0.476	S	S	.	.	H	α-helix	trans	-62	-42	173.6	-172.5	-175.2	70.4	-145.4	-3.3	111.5	S15 E16 Q22 L23	S15-R19 WeakPolarHBondContact O-CB 3.43Å; S15-R19 PolarHBondContact O-N 2.92Å; E16-R19 VanDerWaalsContact CD-NH2 3.25Å; E16-R19 PolarHBondContact O-N 3.2Å; E16-R19 IonicContact OE1-CZ 3.47Å; E16-R19 IonicContact OE1-NH1 2.85Å; E16-R19 PolarHBondContact OE1-NH1 3Å; E16-R19 IonicContact OE1-NH2 3.87Å; E16-R19 PolarHBondContact OE1-NH2 2.72Å; E16-R19 IonicContact OE2-NH2 2.68Å; R19-Q22 PolarHBondContact O-N 2.88Å; R19-L23 HydrophobicContact CG-CD1 4.4Å; R19-L23 WeakPolarHBondContact O-CG 3.43Å; R19-L23 PolarHBondContact O-N 3.48Å
20	Q	82.4	Confident	74.9	Confident	122 Å²	122	94.1 Å²	94.1	57%	0.57	48%	0.479	S	S	*	.	H	α-helix	trans	-62.6	-44.4	176.9	-156.8	76.3	16.6	0	0	111.1	E16 A17 Q22 L23 D24	E16-Q20 VanDerWaalsContact O-CB 3.31Å; E16-Q20 WeakPolarHBondContact O-CB 3.5Å; E16-Q20 PolarHBondContact O-N 3.02Å; A17-Q20 PolarHBondContact O-N 2.98Å; Q20-Q22 VanDerWaalsContact C-N 3.33Å; Q20-Q22 PolarHBondContact O-N 2.86Å; Q20-L23 PolarHBondContact O-N 2.9Å; Q20-D24 WeakPolarHBondContact O-CB 3.31Å; Q20-D24 PolarHBondContact O-N 3.1Å
21	S	80.1	Confident	76.1	Confident	73 Å²	73	93.7 Å²	93.7	51%	0.51	47%	0.472	S	S	.	.	H	α-helix	trans	-68.2	-29.2	176.1	-178.3	0	0	0	0	113.2	A17 Q18 R25	A17-S21 WeakPolarHBondContact O-CB 3.45Å; A17-S21 PolarHBondContact O-N 2.8Å; Q18-S21 PolarHBondContact O-N 2.81Å; S21-R25 WeakPolarHBondContact O-CB 3.48Å; S21-R25 PolarHBondContact O-N 2.94Å; S21-R25 VanDerWaalsContact O-N 3.1Å
22	Q	80.3	Confident	77.6	Confident	110 Å²	110	89.3 Å²	89.3	51%	0.514	45%	0.448	S	S	.	.	H	α-helix	trans	-70.8	-42.9	171.8	-76.5	173.1	-22.8	0	0	111.5	Q18 R19 Q20 R25 L26	Q18-Q22 WeakPolarHBondContact O-CG 3.4Å; Q18-Q22 PolarHBondContact O-N 2.83Å; R19-Q22 PolarHBondContact O-N 2.88Å; Q20-Q22 VanDerWaalsContact C-N 3.33Å; Q20-Q22 PolarHBondContact O-N 2.86Å; Q22-R25 PolarHBondContact O-N 2.79Å; Q22-L26 WeakPolarHBondContact O-CG 3.38Å; Q22-L26 PolarHBondContact O-N 3.36Å
23	L	83.5	Confident	78.6	Confident	94 Å²	94	91.8 Å²	91.8	49%	0.492	45%	0.453	S	S	.	.	H	α-helix	trans	-63.5	-45.8	175.1	-69.9	168.1	0	0	0	111.7	R19 Q20 R25 L26 D27	R19-L23 HydrophobicContact CG-CD1 4.4Å; R19-L23 WeakPolarHBondContact O-CG 3.43Å; R19-L23 PolarHBondContact O-N 3.48Å; Q20-L23 PolarHBondContact O-N 2.9Å; L23-R25 PolarHBondContact O-N 2.97Å; L23-L26 PolarHBondContact O-N 3.03Å; L23-L26 VanDerWaalsContact O-N 3.14Å; L23-D27 WeakPolarHBondContact O-CB 3.35Å; L23-D27 PolarHBondContact O-N 3.08Å
24	D	82.4	Confident	79.7	Confident	67 Å²	67	92.3 Å²	92.3	36%	0.358	45%	0.452	S	S	.	.	H	α-helix	trans	-61	-28.4	173.5	163.8	64.8	0	0	0	113.1	Q20 R28	Q20-D24 WeakPolarHBondContact O-CB 3.31Å; Q20-D24 PolarHBondContact O-N 3.1Å; D24-R28 VanDerWaalsContact O-CD 3.31Å; D24-R28 WeakPolarHBondContact O-CD 3.46Å; D24-R28 VanDerWaalsContact O-CG 3.23Å; D24-R28 WeakPolarHBondContact O-CG 3.28Å; D24-R28 PolarHBondContact O-N 3.08Å; D24-R28 PolarHBondContact O-NE 3.28Å; D24-R28 IonicContact OD1-CZ 2.68Å; D24-R28 VanDerWaalsContact OD1-CZ 3.22Å; D24-R28 IonicContact OD1-NE 2.75Å; D24-R28 PolarHBondContact OD1-NE 3.42Å; D24-R28 VanDerWaalsContact OD1-NE 3.09Å; D24-R28 IonicContact OD1-NH2 3.1Å; D24-R28 PolarHBondContact OD1-NH2 3.33Å; D24-R28 IonicContact OD2-CZ 3.86Å; D24-R28 VanDerWaalsContact OD2-CZ 3.24Å; D24-R28 IonicContact OD2-NE 2.78Å; D24-R28 IonicContact OD2-NH1 3.92Å; D24-R28 IonicContact OD2-NH2 2.67Å; D24-R28 PolarHBondContact OD2-NH2 2.81Å
25	R	81.1	Confident	80.9	Confident	136 Å²	136	86.2 Å²	86.2	51%	0.513	42%	0.424	S	S	.	.	H	α-helix	trans	-77.3	-39.8	171.7	-148.6	-167.6	81	-167.3	3.7	112.4	S21 Q22 L23 R28 E29	S21-R25 WeakPolarHBondContact O-CB 3.48Å; S21-R25 PolarHBondContact O-N 2.94Å; S21-R25 VanDerWaalsContact O-N 3.1Å; Q22-R25 PolarHBondContact O-N 2.79Å; L23-R25 PolarHBondContact O-N 2.97Å; R25-R28 PolarHBondContact O-N 3.26Å; R25-E29 IonicContact CZ-OE1 3.9Å; R25-E29 IonicContact NE-OE1 3.14Å; R25-E29 PolarHBondContact NE-OE1 3.1Å; R25-E29 IonicContact NH2-OE1 2.7Å; R25-E29 PolarHBondContact NH2-OE1 3.37Å; R25-E29 IonicContact NH2-OE2 3.24Å; R25-E29 WeakPolarHBondContact O-CG 3.1Å; R25-E29 PolarHBondContact O-N 2.92Å
26	L	81.5	Confident	81.5	Confident	94 Å²	94	84.6 Å²	84.6	49%	0.492	41%	0.411	S	S	.	.	H	α-helix	trans	-65.7	-39.7	177	-72.1	168.6	0	0	0	112	Q22 L23 R28 E29 E30	Q22-L26 WeakPolarHBondContact O-CG 3.38Å; Q22-L26 PolarHBondContact O-N 3.36Å; L23-L26 PolarHBondContact O-N 3.03Å; L23-L26 VanDerWaalsContact O-N 3.14Å; L26-R28 VanDerWaalsContact C-N 3.31Å; L26-R28 PolarHBondContact O-N 3Å; L26-E29 WeakPolarHBondContact O-CB 3.43Å; L26-E29 PolarHBondContact O-N 3.28Å; L26-E29 VanDerWaalsContact O-N 3.11Å; L26-E30 PolarHBondContact O-N 2.97Å
27	D	82.1	Confident	81.8	Confident	111 Å²	111	87 Å²	87	59%	0.594	43%	0.426	S	S	*	.	H	α-helix	trans	-58.2	-41.9	173.7	-172	78.6	0	0	0	111.4	L23 E30 A31	L23-D27 WeakPolarHBondContact O-CB 3.35Å; L23-D27 PolarHBondContact O-N 3.08Å; D27-E30 PolarHBondContact O-N 3.35Å; D27-A31 WeakPolarHBondContact O-CB 3.37Å; D27-A31 PolarHBondContact O-N 2.76Å
28	R	81.4	Confident	82.2	Confident	87 Å²	87	89.9 Å²	89.9	33%	0.328	43%	0.433	S	S	.	.	H	α-helix	trans	-71.1	-31.3	173.3	-64.4	167.4	-162.1	-175	4.1	113.7	D24 R25 L26 F32	D24-R28 VanDerWaalsContact O-CD 3.31Å; D24-R28 WeakPolarHBondContact O-CD 3.46Å; D24-R28 VanDerWaalsContact O-CG 3.23Å; D24-R28 WeakPolarHBondContact O-CG 3.28Å; D24-R28 PolarHBondContact O-N 3.08Å; D24-R28 PolarHBondContact O-NE 3.28Å; D24-R28 IonicContact OD1-CZ 2.68Å; D24-R28 VanDerWaalsContact OD1-CZ 3.22Å; D24-R28 IonicContact OD1-NE 2.75Å; D24-R28 PolarHBondContact OD1-NE 3.42Å; D24-R28 VanDerWaalsContact OD1-NE 3.09Å; D24-R28 IonicContact OD1-NH2 3.1Å; D24-R28 PolarHBondContact OD1-NH2 3.33Å; D24-R28 IonicContact OD2-CZ 3.86Å; D24-R28 VanDerWaalsContact OD2-CZ 3.24Å; D24-R28 IonicContact OD2-NE 2.78Å; D24-R28 IonicContact OD2-NH1 3.92Å; D24-R28 IonicContact OD2-NH2 2.67Å; D24-R28 PolarHBondContact OD2-NH2 2.81Å; R25-R28 PolarHBondContact O-N 3.26Å; L26-R28 VanDerWaalsContact C-N 3.31Å; L26-R28 PolarHBondContact O-N 3Å; R28-F32 VanDerWaalsContact O-CB 3.27Å; R28-F32 WeakPolarHBondContact O-CB 3.29Å; R28-F32 PolarHBondContact O-N 2.83Å
29	E	81.7	Confident	82.6	Confident	38 Å²	38	85.2 Å²	85.2	18%	0.178	41%	0.412	C	S	.	.	H	α-helix	trans	-68.3	-42.7	172.2	-74	170.2	-145.7	0	0	110.6	R25 L26 F32 Y33 P56	R25-E29 IonicContact CZ-OE1 3.9Å; R25-E29 IonicContact NE-OE1 3.14Å; R25-E29 PolarHBondContact NE-OE1 3.1Å; R25-E29 IonicContact NH2-OE1 2.7Å; R25-E29 PolarHBondContact NH2-OE1 3.37Å; R25-E29 IonicContact NH2-OE2 3.24Å; R25-E29 WeakPolarHBondContact O-CG 3.1Å; R25-E29 PolarHBondContact O-N 2.92Å; L26-E29 WeakPolarHBondContact O-CB 3.43Å; L26-E29 PolarHBondContact O-N 3.28Å; L26-E29 VanDerWaalsContact O-N 3.11Å; E29-F32 WeakPolarHBondContact O-CB 3.31Å; E29-F32 PolarHBondContact O-N 2.85Å; E29-Y33 WeakPolarHBondContact O-CD2 3.22Å; E29-Y33 PolarHBondContact O-N 3.17Å; E29-P56 HydrophobicContact CG-CB 4.29Å
30	E	84.3	Confident	82.8	Confident	140 Å²	140	82 Å²	82	65%	0.654	41%	0.407	S	S	*	.	H	α-helix	trans	-63.9	-47.2	175	-173.1	164.7	-176.5	0	0	111.5	L26 D27 F32 Y33 Q34	L26-E30 PolarHBondContact O-N 2.97Å; D27-E30 PolarHBondContact O-N 3.35Å; E30-F32 VanDerWaalsContact C-N 3.31Å; E30-F32 PolarHBondContact O-N 3.49Å; E30-Y33 PolarHBondContact O-N 3.36Å; E30-Q34 WeakPolarHBondContact O-CB 3.41Å; E30-Q34 PolarHBondContact O-N 3.09Å
31	A	81.1	Confident	82.8	Confident	23 Å²	23	81.5 Å²	81.5	19%	0.19	41%	0.405	C	S	.	.	H	α-helix	trans	-59.8	-38.2	173.9	0	0	0	0	0	112.6	D27 Q34 F35	D27-A31 WeakPolarHBondContact O-CB 3.37Å; D27-A31 PolarHBondContact O-N 2.76Å; A31-Q34 PolarHBondContact O-N 2.81Å; A31-F35 VanDerWaalsContact O-CB 3.22Å; A31-F35 WeakPolarHBondContact O-CB 3.23Å; A31-F35 PolarHBondContact O-N 2.98Å
32	F	84.5	Confident	82.8	Confident	17 Å²	17	85.6 Å²	85.6	8%	0.075	42%	0.417	C	S	.	.	H	α-helix	trans	-59.9	-48.1	173.5	172.4	-83.5	0	0	0	111.7	R28 E29 E30 V36 L53 P56 L64	R28-F32 VanDerWaalsContact O-CB 3.27Å; R28-F32 WeakPolarHBondContact O-CB 3.29Å; R28-F32 PolarHBondContact O-N 2.83Å; E29-F32 WeakPolarHBondContact O-CB 3.31Å; E29-F32 PolarHBondContact O-N 2.85Å; E30-F32 VanDerWaalsContact C-N 3.31Å; E30-F32 PolarHBondContact O-N 3.49Å; F32-V36 HydrophobicContact CD1-CG2 4.46Å; F32-V36 HydrophobicContact CE1-CG2 4.04Å; F32-V36 HydrophobicContact CE2-CG2 4.46Å; F32-V36 HydrophobicContact CZ-CG2 4.03Å; F32-V36 WeakPolarHBondContact O-CG2 3.38Å; F32-V36 PolarHBondContact O-N 3.44Å; F32-L53 HydrophobicContact CE2-CB 4.46Å; F32-P56 HydrophobicContact CD1-CB 3.91Å; F32-P56 HydrophobicContact CD1-CG 3.99Å; F32-P56 HydrophobicContact CE1-CB 4.19Å; F32-P56 HydrophobicContact CE1-CG 3.74Å; F32-P56 HydrophobicContact CG-CB 4.13Å; F32-P56 HydrophobicContact CZ-CG 4.03Å; F32-L64 HydrophobicContact CD2-CD1 3.76Å; F32-L64 HydrophobicContact CE2-CD1 4.25Å
33	Y	81.3	Confident	83	Confident	127 Å²	127	81.5 Å²	81.5	50%	0.498	40%	0.398	S	S	.	.	H	α-helix	trans	-70.2	-37	179.4	-70.5	-62.2	0	0	0	112.2	E29 E30 V36 N37	E29-Y33 WeakPolarHBondContact O-CD2 3.22Å; E29-Y33 PolarHBondContact O-N 3.17Å; E30-Y33 PolarHBondContact O-N 3.36Å; Y33-V36 PolarHBondContact O-N 3.26Å; Y33-N37 WeakPolarHBondContact O-CB 3.44Å; Y33-N37 PolarHBondContact O-N 3.5Å; Y33-N37 PolarHBondContact O-ND2 3.13Å
34	Q	83.1	Confident	83	Confident	115 Å²	115	80.2 Å²	80.2	54%	0.537	39%	0.387	S	S	.	.	H	α-helix	trans	-63.5	-44.9	175	-171.9	170.7	44.7	0	0	111.4	E30 A31 N37 N38	E30-Q34 WeakPolarHBondContact O-CB 3.41Å; E30-Q34 PolarHBondContact O-N 3.09Å; A31-Q34 PolarHBondContact O-N 2.81Å; Q34-N37 PolarHBondContact O-N 2.89Å; Q34-N38 WeakPolarHBondContact O-CB 3.46Å; Q34-N38 VanDerWaalsContact O-CG 3.24Å; Q34-N38 PolarHBondContact O-N 2.9Å; Q34-N38 VanDerWaalsContact O-N 3.1Å; Q34-N38 PolarHBondContact O-ND2 2.96Å; Q34-N38 VanDerWaalsContact O-ND2 3.14Å
35	F	84.5	Confident	83.1	Confident	7 Å²	7	83.2 Å²	83.2	3%	0.031	39%	0.394	C	S	.	.	H	α-helix	trans	-57.5	-53	173.1	173	-103.4	0	0	0	111.6	A31 N37 N38 L39 M47 E61 L64 L65	A31-F35 VanDerWaalsContact O-CB 3.22Å; A31-F35 WeakPolarHBondContact O-CB 3.23Å; A31-F35 PolarHBondContact O-N 2.98Å; F35-N37 VanDerWaalsContact C-N 3.31Å; F35-N37 PolarHBondContact O-N 2.84Å; F35-N38 PolarHBondContact O-N 2.8Å; F35-L39 HydrophobicContact CD1-CD1 4.42Å; F35-L39 HydrophobicContact CE1-CD1 3.84Å; F35-L39 HydrophobicContact CE1-CD2 4.13Å; F35-L39 HydrophobicContact CE1-CG 4.14Å; F35-L39 HydrophobicContact CE2-CD2 3.93Å; F35-L39 HydrophobicContact CZ-CD1 4.19Å; F35-L39 HydrophobicContact CZ-CD2 3.63Å; F35-L39 HydrophobicContact CZ-CG 4.14Å; F35-L39 PolarHBondContact O-N 3.46Å; F35-L39 VanDerWaalsContact O-N 3.14Å; F35-M47 HydrophobicContact CE1-CE 4.15Å; F35-M47 HydrophobicContact CE1-SD 3.72Å; F35-M47 HydrophobicContact CZ-CE 4.36Å; F35-M47 HydrophobicContact CZ-SD 3.81Å; F35-E61 HydrophobicContact CB-CG 4.02Å; F35-E61 HydrophobicContact CD2-CG 3.81Å; F35-E61 HydrophobicContact CG-CG 4.12Å; F35-L64 HydrophobicContact CD1-CB 3.95Å; F35-L64 HydrophobicContact CD1-CD1 3.75Å; F35-L64 HydrophobicContact CD1-CG 4.47Å; F35-L64 HydrophobicContact CE1-CB 3.49Å; F35-L64 VanDerWaalsContact CE1-CB 3.49Å; F35-L64 HydrophobicContact CE1-CD1 4.07Å; F35-L64 HydrophobicContact CE1-CG 4.32Å; F35-L64 HydrophobicContact CG-CD1 4.5Å; F35-L64 HydrophobicContact CZ-CB 3.8Å; F35-L65 HydrophobicContact CD2-CD2 4.45Å; F35-L65 HydrophobicContact CD2-CG 4.27Å; F35-L65 HydrophobicContact CE2-CD2 3.68Å; F35-L65 HydrophobicContact CE2-CG 3.68Å
36	V	82.6	Confident	83.3	Confident	29 Å²	29	79.5 Å²	79.5	18%	0.176	38%	0.384	C	S	.	.	H	α-helix	trans	-60.4	-38.3	-179.1	168.7	0	0	0	0	112.2	F32 Y33 N38 L39 Y44 L53	F32-V36 HydrophobicContact CD1-CG2 4.46Å; F32-V36 HydrophobicContact CE1-CG2 4.04Å; F32-V36 HydrophobicContact CE2-CG2 4.46Å; F32-V36 HydrophobicContact CZ-CG2 4.03Å; F32-V36 WeakPolarHBondContact O-CG2 3.38Å; F32-V36 PolarHBondContact O-N 3.44Å; Y33-V36 PolarHBondContact O-N 3.26Å; V36-N38 VanDerWaalsContact C-N 3.3Å; V36-N38 PolarHBondContact O-N 3.41Å; V36-L39 PolarHBondContact O-N 3.33Å; V36-Y44 HydrophobicContact CG1-CD2 4.08Å; V36-Y44 HydrophobicContact CG1-CE2 3.94Å; V36-L53 HydrophobicContact CG2-CD2 4.11Å
37	N	83.9	Confident	83.3	Confident	132 Å²	132	75 Å²	75	71%	0.706	36%	0.36	S	S	*	.	H	α-helix	trans	-71.8	-21.5	176.6	-71.2	-31.2	0	0	0	113.7	Y33 Q34 F35	Y33-N37 WeakPolarHBondContact O-CB 3.44Å; Y33-N37 PolarHBondContact O-N 3.5Å; Y33-N37 PolarHBondContact O-ND2 3.13Å; Q34-N37 PolarHBondContact O-N 2.89Å; F35-N37 VanDerWaalsContact C-N 3.31Å; F35-N37 PolarHBondContact O-N 2.84Å
38	N	84.5	Confident	83.3	Confident	121 Å²	121	75.9 Å²	75.9	65%	0.647	36%	0.355	S	S	*	.	H	α-helix	trans	-93.7	-6.2	178.1	-73	-28.1	0	0	0	113.5	Q34 F35 V36	Q34-N38 WeakPolarHBondContact O-CB 3.46Å; Q34-N38 VanDerWaalsContact O-CG 3.24Å; Q34-N38 PolarHBondContact O-N 2.9Å; Q34-N38 VanDerWaalsContact O-N 3.1Å; Q34-N38 PolarHBondContact O-ND2 2.96Å; Q34-N38 VanDerWaalsContact O-ND2 3.14Å; F35-N38 PolarHBondContact O-N 2.8Å; V36-N38 VanDerWaalsContact C-N 3.3Å; V36-N38 PolarHBondContact O-N 3.41Å
39	L	86.4	Confident	83.1	Confident	30 Å²	30	77.6 Å²	77.6	16%	0.157	37%	0.371	C	S	.	.	S	Bend	trans	-68	150.6	175	-74.5	178.8	0	0	0	111.9	F35 V36 D43 Y44 M47 L68	F35-L39 HydrophobicContact CD1-CD1 4.42Å; F35-L39 HydrophobicContact CE1-CD1 3.84Å; F35-L39 HydrophobicContact CE1-CD2 4.13Å; F35-L39 HydrophobicContact CE1-CG 4.14Å; F35-L39 HydrophobicContact CE2-CD2 3.93Å; F35-L39 HydrophobicContact CZ-CD1 4.19Å; F35-L39 HydrophobicContact CZ-CD2 3.63Å; F35-L39 HydrophobicContact CZ-CG 4.14Å; F35-L39 PolarHBondContact O-N 3.46Å; F35-L39 VanDerWaalsContact O-N 3.14Å; V36-L39 PolarHBondContact O-N 3.33Å; L39-D43 HydrophobicContact CD2-CB 4.11Å; L39-Y44 HydrophobicContact CD1-CD2 4.4Å; L39-M47 HydrophobicContact CD1-SD 3.85Å; L39-M47 HydrophobicContact CD2-SD 4.49Å; L39-L68 HydrophobicContact CD2-CD2 3.74Å
40	S	85.4	Confident	82.9	Confident	48 Å²	48	79.8 Å²	79.8	34%	0.336	38%	0.384	S	S	.	.			trans	-69.8	152.3	163.4	81.6	0	0	0	0	110.2	E42 D43 Y44	S40-E42 PolarHBondContact O-N 2.68Å; S40-E42 VanDerWaalsContact O-N 3.14Å; S40-E42 PolarHBondContact OG-N 2.85Å; S40-D43 PolarHBondContact O-N 2.65Å; S40-D43 VanDerWaalsContact O-N 3.15Å; S40-D43 WeakPolarHBondContact OG-CB 3.45Å; S40-D43 PolarHBondContact OG-N 2.86Å; S40-D43 PolarHBondContact OG-OD2 2.78Å; S40-Y44 WeakPolarHBondContact O-CB 3.45Å; S40-Y44 PolarHBondContact O-N 3.19Å
41	E	83.1	Confident	82.6	Confident	113 Å²	113	80 Å²	80	53%	0.528	39%	0.389	S	S	.	.	H	α-helix	trans	-56.6	-28.8	175.2	177.6	62.9	-162.5	0	0	112.3	R45	E41-R45 WeakPolarHBondContact O-CD 3.12Å; E41-R45 WeakPolarHBondContact O-CG 3.45Å; E41-R45 PolarHBondContact O-N 3.47Å; E41-R45 IonicContact OE1-CZ 3.6Å; E41-R45 IonicContact OE1-NE 3.53Å; E41-R45 PolarHBondContact OE1-NE 3.35Å; E41-R45 IonicContact OE1-NH2 2.78Å; E41-R45 PolarHBondContact OE1-NH2 3.36Å
42	E	80.9	Confident	82.5	Confident	159 Å²	159	80.3 Å²	80.3	74%	0.743	39%	0.388	S	S	*	.	H	α-helix	trans	-75.4	-46.7	177	-62.8	177	-178.8	0	0	111.4	S40 R45 L46	S40-E42 PolarHBondContact O-N 2.68Å; S40-E42 VanDerWaalsContact O-N 3.14Å; S40-E42 PolarHBondContact OG-N 2.85Å; E42-R45 PolarHBondContact O-N 2.81Å; E42-L46 WeakPolarHBondContact O-CB 3.42Å; E42-L46 PolarHBondContact O-N 3.21Å
43	D	84.1	Confident	82.1	Confident	24 Å²	24	80.7 Å²	80.7	13%	0.128	39%	0.39	C	S	.	.	H	α-helix	trans	-67.3	-39.3	177.5	-67.9	-56	0	0	0	111.8	L39 S40 L46 M47 L68 K72	L39-D43 HydrophobicContact CD2-CB 4.11Å; S40-D43 PolarHBondContact O-N 2.65Å; S40-D43 VanDerWaalsContact O-N 3.15Å; S40-D43 WeakPolarHBondContact OG-CB 3.45Å; S40-D43 PolarHBondContact OG-N 2.86Å; S40-D43 PolarHBondContact OG-OD2 2.78Å; D43-L46 WeakPolarHBondContact O-CB 3.38Å; D43-L46 PolarHBondContact O-N 3.41Å; D43-M47 WeakPolarHBondContact O-CG 3.31Å; D43-M47 PolarHBondContact O-N 3.02Å; D43-L68 HydrophobicContact CB-CD1 3.79Å; D43-L68 HydrophobicContact CB-CD2 4.03Å; D43-K72 VanDerWaalsContact CG-NZ 3.34Å; D43-K72 IonicContact OD1-NZ 3.51Å; D43-K72 PolarHBondContact OD1-NZ 3.28Å; D43-K72 IonicContact OD2-NZ 2.73Å; D43-K72 PolarHBondContact OD2-NZ 3.32Å
44	Y	84	Confident	81.7	Confident	66 Å²	66	77 Å²	77	26%	0.259	39%	0.391	S	S	.	.	H	α-helix	trans	-60.5	-46.4	175	172.9	-103	0	0	0	111.9	V36 L39 S40 M47 R48 L53	V36-Y44 HydrophobicContact CG1-CD2 4.08Å; V36-Y44 HydrophobicContact CG1-CE2 3.94Å; L39-Y44 HydrophobicContact CD1-CD2 4.4Å; S40-Y44 WeakPolarHBondContact O-CB 3.45Å; S40-Y44 PolarHBondContact O-N 3.19Å; Y44-M47 PolarHBondContact O-N 3.43Å; Y44-R48 WeakPolarHBondContact O-CB 3.27Å; Y44-R48 PolarHBondContact O-N 2.83Å; Y44-R48 PolarHBondContact OH-NH1 3.45Å; Y44-L53 HydrophobicContact CD2-CD1 4.4Å; Y44-L53 HydrophobicContact CE2-CD1 4.02Å
45	R	83.8	Confident	81.1	Confident	131 Å²	131	74.7 Å²	74.7	49%	0.494	39%	0.385	S	S	.	.	H	α-helix	trans	-61	-45.7	173.1	-71.8	170.3	-169.2	-179.7	6.4	111.3	E41 E42 M47 R48 D49	E41-R45 WeakPolarHBondContact O-CD 3.12Å; E41-R45 WeakPolarHBondContact O-CG 3.45Å; E41-R45 PolarHBondContact O-N 3.47Å; E41-R45 IonicContact OE1-CZ 3.6Å; E41-R45 IonicContact OE1-NE 3.53Å; E41-R45 PolarHBondContact OE1-NE 3.35Å; E41-R45 IonicContact OE1-NH2 2.78Å; E41-R45 PolarHBondContact OE1-NH2 3.36Å; E42-R45 PolarHBondContact O-N 2.81Å; R45-M47 VanDerWaalsContact C-N 3.32Å; R45-M47 PolarHBondContact O-N 3.5Å; R45-R48 PolarHBondContact O-N 3.27Å; R45-R48 VanDerWaalsContact O-N 3.14Å; R45-D49 WeakPolarHBondContact O-CB 3.37Å; R45-D49 PolarHBondContact O-N 3.12Å
46	L	84.3	Confident	80.4	Confident	58 Å²	58	76.6 Å²	76.6	30%	0.304	40%	0.398	S	S	.	.	H	α-helix	trans	-58.5	-41.7	179.4	-170.6	65.7	0	0	0	112.2	E42 D43 N50 L68 V71 K72	E42-L46 WeakPolarHBondContact O-CB 3.42Å; E42-L46 PolarHBondContact O-N 3.21Å; D43-L46 WeakPolarHBondContact O-CB 3.38Å; D43-L46 PolarHBondContact O-N 3.41Å; L46-N50 WeakPolarHBondContact O-CB 3.21Å; L46-N50 PolarHBondContact O-N 2.98Å; L46-N50 PolarHBondContact O-ND2 3.12Å; L46-L68 HydrophobicContact CD2-CD1 4.29Å; L46-V71 HydrophobicContact CD1-CG1 3.84Å; L46-V71 HydrophobicContact CD2-CG1 4.14Å; L46-V71 HydrophobicContact CG-CG1 3.84Å; L46-K72 HydrophobicContact CD2-CB 4.48Å
47	M	82.3	Confident	79.4	Confident	0 Å²	0	75.3 Å²	75.3	0%	0	39%	0.39	C	S	.	.	H	α-helix	trans	-72.3	-36.4	175.1	-64.1	-165.4	79.1	0	0	113.4	F35 L39 D43 Y44 R45 N51 L52 L53 L64 R67 L68	F35-M47 HydrophobicContact CE1-CE 4.15Å; F35-M47 HydrophobicContact CE1-SD 3.72Å; F35-M47 HydrophobicContact CZ-CE 4.36Å; F35-M47 HydrophobicContact CZ-SD 3.81Å; L39-M47 HydrophobicContact CD1-SD 3.85Å; L39-M47 HydrophobicContact CD2-SD 4.49Å; D43-M47 WeakPolarHBondContact O-CG 3.31Å; D43-M47 PolarHBondContact O-N 3.02Å; Y44-M47 PolarHBondContact O-N 3.43Å; R45-M47 VanDerWaalsContact C-N 3.32Å; R45-M47 PolarHBondContact O-N 3.5Å; M47-N51 PolarHBondContact O-N 3.46Å; M47-L52 HydrophobicContact CB-CB 4.23Å; M47-L52 HydrophobicContact CB-CD1 4.43Å; M47-L52 HydrophobicContact CE-CB 3.91Å; M47-L52 HydrophobicContact CG-CD1 4.26Å; M47-L52 PolarHBondContact O-N 2.85Å; M47-L53 HydrophobicContact CB-CD2 3.87Å; M47-L53 HydrophobicContact CB-CG 3.91Å; M47-L53 HydrophobicContact CE-CD2 3.97Å; M47-L53 HydrophobicContact SD-CD2 3.88Å; M47-L64 HydrophobicContact CE-CB 4.09Å; M47-L64 HydrophobicContact CE-CD2 4.12Å; M47-L64 VanDerWaalsContact CE-O 3.28Å; M47-L64 WeakPolarHBondContact CE-O 3.39Å; M47-R67 HydrophobicContact CE-CB 4.44Å; M47-L68 HydrophobicContact CE-CB 4.25Å; M47-L68 HydrophobicContact CG-CB 4.2Å; M47-L68 HydrophobicContact CG-CD1 3.79Å; M47-L68 HydrophobicContact SD-CB 3.88Å; M47-L68 HydrophobicContact SD-CD1 4.28Å; M47-L68 HydrophobicContact SD-CD2 4.46Å; M47-L68 HydrophobicContact SD-CG 4.43Å
48	R	81.3	Confident	78.6	Confident	129 Å²	129	75.9 Å²	75.9	49%	0.487	39%	0.389	S	S	.	.	H	α-helix	trans	-67.1	-50.8	179.2	176.2	174.9	174.9	150.3	-5	111.8	Y44 R45 N50 N51 L53	Y44-R48 WeakPolarHBondContact O-CB 3.27Å; Y44-R48 PolarHBondContact O-N 2.83Å; Y44-R48 PolarHBondContact OH-NH1 3.45Å; R45-R48 PolarHBondContact O-N 3.27Å; R45-R48 VanDerWaalsContact O-N 3.14Å; R48-N50 VanDerWaalsContact C-N 3.25Å; R48-N50 PolarHBondContact O-N 3.31Å; R48-N51 PolarHBondContact O-N 2.99Å; R48-L53 HydrophobicContact CB-CD1 4.5Å
49	D	77.7	Confident	78.1	Confident	123 Å²	123	71 Å²	71	66%	0.658	36%	0.363	S	S	*	.	H	α-helix	trans	-71.9	-21.9	-175.1	-65.1	-18	0	0	0	112.3	R45	R45-D49 WeakPolarHBondContact O-CB 3.37Å; R45-D49 PolarHBondContact O-N 3.12Å
50	N	77.6	Confident	77.6	Confident	84 Å²	84	72.8 Å²	72.8	45%	0.449	38%	0.375	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.4	10.3	170.4	-68.4	-83.6	0	0	0	113.6	L46 R48 L52	L46-N50 WeakPolarHBondContact O-CB 3.21Å; L46-N50 PolarHBondContact O-N 2.98Å; L46-N50 PolarHBondContact O-ND2 3.12Å; R48-N50 VanDerWaalsContact C-N 3.25Å; R48-N50 PolarHBondContact O-N 3.31Å; N50-L52 HydrophobicContact CB-CD1 4.14Å; N50-L52 HydrophobicContact CB-CD2 4.07Å; N50-L52 HydrophobicContact CB-CG 3.79Å; N50-L52 WeakPolarHBondContact O-CD2 3.41Å; N50-L52 PolarHBondContact O-N 3.48Å; N50-L52 VanDerWaalsContact O-N 3.13Å
51	N	78.9	Confident	77.3	Confident	143 Å²	143	74.1 Å²	74.1	77%	0.765	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.1	21.6	177.1	-97.8	84.6	0	0	0	115.8	M47 R48 L53	M47-N51 PolarHBondContact O-N 3.46Å; R48-N51 PolarHBondContact O-N 2.99Å; N51-L53 PolarHBondContact O-N 3.38Å
52	L	79.2	Confident	77.1	Confident	31 Å²	31	75.3 Å²	75.3	16%	0.162	38%	0.381	C	S	.	.			trans	-74.2	-26.1	-169.2	-55	178.9	0	0	0	114.6	M47 N50 R67 V71	M47-L52 HydrophobicContact CB-CB 4.23Å; M47-L52 HydrophobicContact CB-CD1 4.43Å; M47-L52 HydrophobicContact CE-CB 3.91Å; M47-L52 HydrophobicContact CG-CD1 4.26Å; M47-L52 PolarHBondContact O-N 2.85Å; N50-L52 HydrophobicContact CB-CD1 4.14Å; N50-L52 HydrophobicContact CB-CD2 4.07Å; N50-L52 HydrophobicContact CB-CG 3.79Å; N50-L52 WeakPolarHBondContact O-CD2 3.41Å; N50-L52 PolarHBondContact O-N 3.48Å; N50-L52 VanDerWaalsContact O-N 3.13Å; L52-R67 HydrophobicContact CB-CB 4.22Å; L52-R67 HydrophobicContact CD1-CB 4.18Å; L52-R67 HydrophobicContact CD2-CB 4.48Å; L52-R67 PolarHBondContact O-NH1 2.81Å; L52-V71 HydrophobicContact CD1-CB 4.09Å; L52-V71 HydrophobicContact CD1-CG2 3.62Å; L52-V71 HydrophobicContact CD2-CG2 4.26Å
53	L	76.4	Confident	77.1	Confident	24 Å²	24	70 Å²	70	13%	0.126	36%	0.357	C	S	.	.	S	Bend	trans	-64.5	-39.9	-174.3	-65	172.2	0	0	0	112.6	F32 V36 Y44 M47 R48 N51 I59	F32-L53 HydrophobicContact CE2-CB 4.46Å; V36-L53 HydrophobicContact CG2-CD2 4.11Å; Y44-L53 HydrophobicContact CD2-CD1 4.4Å; Y44-L53 HydrophobicContact CE2-CD1 4.02Å; M47-L53 HydrophobicContact CB-CD2 3.87Å; M47-L53 HydrophobicContact CB-CG 3.91Å; M47-L53 HydrophobicContact CE-CD2 3.97Å; M47-L53 HydrophobicContact SD-CD2 3.88Å; R48-L53 HydrophobicContact CB-CD1 4.5Å; N51-L53 PolarHBondContact O-N 3.38Å; L53-I59 VanDerWaalsContact O-CD1 3.29Å; L53-I59 WeakPolarHBondContact O-CD1 3.17Å
54	G	71.9	Confident	76.9	Confident	51 Å²	51	68.9 Å²	68.9	53%	0.526	35%	0.35	S	S	.	.			trans	60.5	-145	177.9	0	0	0	0	0	114.8
55	T	71.4	Confident	76.7	Confident	65 Å²	65	69.9 Å²	69.9	40%	0.399	36%	0.36	S	S	.	.	S	Bend	trans	-93	126.7	-175.5	19.8	0	0	0	0	111.8	E58	T55-E58 VanDerWaalsContact CB-OE2 3.24Å; T55-E58 WeakPolarHBondContact CB-OE2 3.24Å; T55-E58 PolarHBondContact O-N 3.21Å; T55-E58 PolarHBondContact OG1-OE2 2.79Å
56	P	68.4	Low	76.7	Confident	47 Å²	47	70.7 Å²	70.7	31%	0.305	36%	0.363	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.8	142.2	172.7	-23.7	33.1	0	0	0	112	E29 F32 E58	E29-P56 HydrophobicContact CG-CB 4.29Å; F32-P56 HydrophobicContact CD1-CB 3.91Å; F32-P56 HydrophobicContact CD1-CG 3.99Å; F32-P56 HydrophobicContact CE1-CB 4.19Å; F32-P56 HydrophobicContact CE1-CG 3.74Å; F32-P56 HydrophobicContact CG-CB 4.13Å; F32-P56 HydrophobicContact CZ-CG 4.03Å; P56-E58 PolarHBondContact O-N 3.13Å; P56-E58 VanDerWaalsContact O-N 3.11Å
57	G	62.5	Low	76.5	Confident	2 Å²	2	71.4 Å²	71.4	2%	0.021	36%	0.362	C	S	.	.	T	Hydrogen-bonded Turn	trans	78	-22.5	178.6	0	0	0	0	0	116.2
58	E	67.2	Low	76.5	Confident	145 Å²	145	72.2 Å²	72.2	68%	0.678	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.7	-17.6	176.7	-66	-167.7	139.5	0	0	113.5	T55 P56	T55-E58 VanDerWaalsContact CB-OE2 3.24Å; T55-E58 WeakPolarHBondContact CB-OE2 3.24Å; T55-E58 PolarHBondContact O-N 3.21Å; T55-E58 PolarHBondContact OG1-OE2 2.79Å; P56-E58 PolarHBondContact O-N 3.13Å; P56-E58 VanDerWaalsContact O-N 3.11Å
59	I	73.4	Confident	76.5	Confident	19 Å²	19	71.8 Å²	71.8	10%	0.097	37%	0.369	C	S	.	.	S	Bend	trans	-124.5	134.1	-176.1	-53.8	157.5	0	0	0	108.9	L53 E63 L64	L53-I59 VanDerWaalsContact O-CD1 3.29Å; L53-I59 WeakPolarHBondContact O-CD1 3.17Å; I59-E63 HydrophobicContact CG2-CB 4.02Å; I59-E63 HydrophobicContact CG2-CG 3.77Å; I59-L64 HydrophobicContact CB-CD2 4.49Å; I59-L64 HydrophobicContact CG2-CD2 3.82Å; I59-L64 HydrophobicContact CG2-CG 3.82Å
60	T	76.3	Confident	76.7	Confident	67 Å²	67	71.4 Å²	71.4	41%	0.411	36%	0.364	S	S	.	.			trans	-82.3	153.5	176.7	55.9	0	0	0	0	112.2	E62 E63 L64	T60-E62 VanDerWaalsContact C-N 3.28Å; T60-E62 PolarHBondContact O-N 3.32Å; T60-E63 PolarHBondContact O-N 2.95Å; T60-L64 PolarHBondContact O-N 2.9Å; T60-L64 VanDerWaalsContact O-N 3.15Å
61	E	78.2	Confident	76.8	Confident	75 Å²	75	69.8 Å²	69.8	35%	0.35	36%	0.357	S	S	.	.	H	α-helix	trans	-53	-43	177	179.6	174.7	-153.9	0	0	112.6	F35 E63 L64 L65	F35-E61 HydrophobicContact CB-CG 4.02Å; F35-E61 HydrophobicContact CD2-CG 3.81Å; F35-E61 HydrophobicContact CG-CG 4.12Å; E61-E63 VanDerWaalsContact C-N 3.26Å; E61-E63 PolarHBondContact O-N 3.18Å; E61-L64 WeakPolarHBondContact O-CB 3.48Å; E61-L64 PolarHBondContact O-N 2.8Å; E61-L64 VanDerWaalsContact O-N 3.11Å; E61-L65 HydrophobicContact CG-CD1 4.05Å; E61-L65 HydrophobicContact CG-CG 4.48Å; E61-L65 PolarHBondContact O-N 3.5Å
62	E	79.1	Confident	76.7	Confident	138 Å²	138	68.7 Å²	68.7	65%	0.645	35%	0.345	S	S	*	.	H	α-helix	trans	-58	-35.6	177.4	-62.3	-173.1	173.1	0	0	113.6	T60 R66	T60-E62 VanDerWaalsContact C-N 3.28Å; T60-E62 PolarHBondContact O-N 3.32Å; E62-R66 VanDerWaalsContact O-CB 3.29Å; E62-R66 WeakPolarHBondContact O-CB 3.34Å; E62-R66 PolarHBondContact O-N 3.28Å
63	E	80.6	Confident	76.3	Confident	48 Å²	48	74 Å²	74	22%	0.224	37%	0.369	C	S	.	.	H	α-helix	trans	-79.1	-29.9	179.3	172.2	62.8	-169.6	0	0	111.3	I59 T60 E61 R66 R67	I59-E63 HydrophobicContact CG2-CB 4.02Å; I59-E63 HydrophobicContact CG2-CG 3.77Å; T60-E63 PolarHBondContact O-N 2.95Å; E61-E63 VanDerWaalsContact C-N 3.26Å; E61-E63 PolarHBondContact O-N 3.18Å; E63-R66 IonicContact OE2-CZ 2.71Å; E63-R66 IonicContact OE2-NE 3.19Å; E63-R66 IonicContact OE2-NH1 2.69Å; E63-R66 PolarHBondContact OE2-NH1 3.31Å; E63-R67 VanDerWaalsContact CG-NH2 3.33Å; E63-R67 VanDerWaalsContact O-CG 3.24Å; E63-R67 WeakPolarHBondContact O-CG 3.28Å; E63-R67 PolarHBondContact O-N 3.41Å; E63-R67 IonicContact OE1-CZ 2.81Å; E63-R67 IonicContact OE1-NE 2.71Å; E63-R67 PolarHBondContact OE1-NE 3.44Å; E63-R67 IonicContact OE1-NH2 3.15Å; E63-R67 PolarHBondContact OE1-NH2 3.18Å
64	L	80.6	Confident	75.6	Confident	0 Å²	0	74 Å²	74	0%	0	38%	0.376	C	S	.	.	H	α-helix	trans	-68.9	-46.1	170.3	-65.2	171	0	0	0	111.4	F32 F35 M47 I59 T60 E61 R66 R67 L68	F32-L64 HydrophobicContact CD2-CD1 3.76Å; F32-L64 HydrophobicContact CE2-CD1 4.25Å; F35-L64 HydrophobicContact CD1-CB 3.95Å; F35-L64 HydrophobicContact CD1-CD1 3.75Å; F35-L64 HydrophobicContact CD1-CG 4.47Å; F35-L64 HydrophobicContact CE1-CB 3.49Å; F35-L64 VanDerWaalsContact CE1-CB 3.49Å; F35-L64 HydrophobicContact CE1-CD1 4.07Å; F35-L64 HydrophobicContact CE1-CG 4.32Å; F35-L64 HydrophobicContact CG-CD1 4.5Å; F35-L64 HydrophobicContact CZ-CB 3.8Å; M47-L64 HydrophobicContact CE-CB 4.09Å; M47-L64 HydrophobicContact CE-CD2 4.12Å; M47-L64 VanDerWaalsContact CE-O 3.28Å; M47-L64 WeakPolarHBondContact CE-O 3.39Å; I59-L64 HydrophobicContact CB-CD2 4.49Å; I59-L64 HydrophobicContact CG2-CD2 3.82Å; I59-L64 HydrophobicContact CG2-CG 3.82Å; T60-L64 PolarHBondContact O-N 2.9Å; T60-L64 VanDerWaalsContact O-N 3.15Å; E61-L64 WeakPolarHBondContact O-CB 3.48Å; E61-L64 PolarHBondContact O-N 2.8Å; E61-L64 VanDerWaalsContact O-N 3.11Å; L64-R66 VanDerWaalsContact C-N 3.31Å; L64-R66 PolarHBondContact O-N 3.33Å; L64-R67 PolarHBondContact O-N 3.18Å; L64-L68 PolarHBondContact O-N 3.31Å
65	L	80.9	Confident	74.7	Confident	88 Å²	88	77.1 Å²	77.1	46%	0.461	39%	0.386	S	S	.	.	H	α-helix	trans	-55.1	-45.5	171	-79.7	165.6	0	0	0	111.6	F35 E61 R67 L68 H69	F35-L65 HydrophobicContact CD2-CD2 4.45Å; F35-L65 HydrophobicContact CD2-CG 4.27Å; F35-L65 HydrophobicContact CE2-CD2 3.68Å; F35-L65 HydrophobicContact CE2-CG 3.68Å; E61-L65 HydrophobicContact CG-CD1 4.05Å; E61-L65 HydrophobicContact CG-CG 4.48Å; E61-L65 PolarHBondContact O-N 3.5Å; L65-R67 PolarHBondContact O-N 3.06Å; L65-L68 PolarHBondContact O-N 3.08Å; L65-H69 WeakPolarHBondContact O-CB 3.31Å; L65-H69 PolarHBondContact O-N 3.13Å
66	R	82.1	Confident	73.3	Confident	148 Å²	148	79.4 Å²	79.4	56%	0.558	40%	0.402	S	S	*	.	H	α-helix	trans	-61	-43.5	177.1	-171.8	-176.1	-59.9	149.4	0.1	112.3	E62 E63 L64 H69 Q70	E62-R66 VanDerWaalsContact O-CB 3.29Å; E62-R66 WeakPolarHBondContact O-CB 3.34Å; E62-R66 PolarHBondContact O-N 3.28Å; E63-R66 IonicContact OE2-CZ 2.71Å; E63-R66 IonicContact OE2-NE 3.19Å; E63-R66 IonicContact OE2-NH1 2.69Å; E63-R66 PolarHBondContact OE2-NH1 3.31Å; L64-R66 VanDerWaalsContact C-N 3.31Å; L64-R66 PolarHBondContact O-N 3.33Å; R66-H69 PolarHBondContact O-N 3.36Å; R66-Q70 VanDerWaalsContact O-CB 3.29Å; R66-Q70 WeakPolarHBondContact O-CB 3.26Å; R66-Q70 PolarHBondContact O-N 2.95Å
67	R	80.8	Confident	71.8	Confident	72 Å²	72	85.5 Å²	85.5	27%	0.272	43%	0.427	S	S	.	.	H	α-helix	trans	-66.8	-42.2	177.2	-72.7	168.5	-168	178.8	8.1	112.4	M47 L52 E63 L64 L65 Q70 V71	M47-R67 HydrophobicContact CE-CB 4.44Å; L52-R67 HydrophobicContact CB-CB 4.22Å; L52-R67 HydrophobicContact CD1-CB 4.18Å; L52-R67 HydrophobicContact CD2-CB 4.48Å; L52-R67 PolarHBondContact O-NH1 2.81Å; E63-R67 VanDerWaalsContact CG-NH2 3.33Å; E63-R67 VanDerWaalsContact O-CG 3.24Å; E63-R67 WeakPolarHBondContact O-CG 3.28Å; E63-R67 PolarHBondContact O-N 3.41Å; E63-R67 IonicContact OE1-CZ 2.81Å; E63-R67 IonicContact OE1-NE 2.71Å; E63-R67 PolarHBondContact OE1-NE 3.44Å; E63-R67 IonicContact OE1-NH2 3.15Å; E63-R67 PolarHBondContact OE1-NH2 3.18Å; L64-R67 PolarHBondContact O-N 3.18Å; L65-R67 PolarHBondContact O-N 3.06Å; R67-Q70 PolarHBondContact O-N 2.78Å; R67-V71 PolarHBondContact O-N 2.73Å; R67-V71 VanDerWaalsContact O-N 3.1Å
68	L	82.3	Confident	70.5	Confident	18 Å²	18	94.3 Å²	94.3	9%	0.094	47%	0.467	C	S	.	.	H	α-helix	trans	-57.2	-52.5	173.7	176	60.1	0	0	0	110.6	L39 D43 L46 M47 L64 L65 Q70 V71 K72	L39-L68 HydrophobicContact CD2-CD2 3.74Å; D43-L68 HydrophobicContact CB-CD1 3.79Å; D43-L68 HydrophobicContact CB-CD2 4.03Å; L46-L68 HydrophobicContact CD2-CD1 4.29Å; M47-L68 HydrophobicContact CE-CB 4.25Å; M47-L68 HydrophobicContact CG-CB 4.2Å; M47-L68 HydrophobicContact CG-CD1 3.79Å; M47-L68 HydrophobicContact SD-CB 3.88Å; M47-L68 HydrophobicContact SD-CD1 4.28Å; M47-L68 HydrophobicContact SD-CD2 4.46Å; M47-L68 HydrophobicContact SD-CG 4.43Å; L64-L68 PolarHBondContact O-N 3.31Å; L65-L68 PolarHBondContact O-N 3.08Å; L68-Q70 VanDerWaalsContact C-N 3.31Å; L68-Q70 PolarHBondContact O-N 3.19Å; L68-V71 PolarHBondContact O-N 2.83Å; L68-K72 VanDerWaalsContact O-CB 3.28Å; L68-K72 WeakPolarHBondContact O-CB 3.25Å; L68-K72 PolarHBondContact O-N 3.48Å
69	H	80.4	Confident	68.9	Low	119 Å²	119	94.2 Å²	94.2	55%	0.551	47%	0.471	S	S	*	.	H	α-helix	trans	-60.5	-38.6	178.5	-163.5	-57.2	0	0	0	112.3	L65 R66 V71 K72 E73	L65-H69 WeakPolarHBondContact O-CB 3.31Å; L65-H69 PolarHBondContact O-N 3.13Å; R66-H69 PolarHBondContact O-N 3.36Å; H69-V71 VanDerWaalsContact C-N 3.33Å; H69-V71 PolarHBondContact O-N 3.44Å; H69-K72 PolarHBondContact O-N 2.95Å; H69-E73 WeakPolarHBondContact CE1-CG 3.23Å; H69-E73 VanDerWaalsContact ND1-CG 3.33Å; H69-E73 WeakPolarHBondContact ND1-CG 3.48Å; H69-E73 WeakPolarHBondContact O-CG 3.45Å; H69-E73 PolarHBondContact O-N 3.12Å
70	Q	82.3	Confident	67	Low	116 Å²	116	98.6 Å²	98.6	54%	0.542	50%	0.503	S	S	.	.	H	α-helix	trans	-66.8	-31.7	179.1	-176.4	59.6	92.1	0	0	113.2	R66 R67 L68 G74	R66-Q70 VanDerWaalsContact O-CB 3.29Å; R66-Q70 WeakPolarHBondContact O-CB 3.26Å; R66-Q70 PolarHBondContact O-N 2.95Å; R67-Q70 PolarHBondContact O-N 2.78Å; L68-Q70 VanDerWaalsContact C-N 3.31Å; L68-Q70 PolarHBondContact O-N 3.19Å; Q70-G74 PolarHBondContact NE2-O 2.71Å
71	V	79.4	Confident	64.9	Low	50 Å²	50	102.8 Å²	102.8	30%	0.303	52%	0.523	S	S	.	.	H	α-helix	trans	-87.2	-26.3	175.8	175.4	0	0	0	0	112	L46 L52 R67 L68 H69	L46-V71 HydrophobicContact CD1-CG1 3.84Å; L46-V71 HydrophobicContact CD2-CG1 4.14Å; L46-V71 HydrophobicContact CG-CG1 3.84Å; L52-V71 HydrophobicContact CD1-CB 4.09Å; L52-V71 HydrophobicContact CD1-CG2 3.62Å; L52-V71 HydrophobicContact CD2-CG2 4.26Å; R67-V71 PolarHBondContact O-N 2.73Å; R67-V71 VanDerWaalsContact O-N 3.1Å; L68-V71 PolarHBondContact O-N 2.83Å; H69-V71 VanDerWaalsContact C-N 3.33Å; H69-V71 PolarHBondContact O-N 3.44Å
72	K	77.9	Confident	62.9	Low	120 Å²	120	108 Å²	108	52%	0.522	55%	0.548	S	S	.	.	H	α-helix	trans	-73.5	-37.3	176.7	-162.3	161.8	-169.8	159	0	113.4	D43 L46 L68 H69	D43-K72 VanDerWaalsContact CG-NZ 3.34Å; D43-K72 IonicContact OD1-NZ 3.51Å; D43-K72 PolarHBondContact OD1-NZ 3.28Å; D43-K72 IonicContact OD2-NZ 2.73Å; D43-K72 PolarHBondContact OD2-NZ 3.32Å; L46-K72 HydrophobicContact CD2-CB 4.48Å; L68-K72 VanDerWaalsContact O-CB 3.28Å; L68-K72 WeakPolarHBondContact O-CB 3.25Å; L68-K72 PolarHBondContact O-N 3.48Å; H69-K72 PolarHBondContact O-N 2.95Å
73	E	71.3	Confident	60.6	Low	141 Å²	141	108.2 Å²	108.2	66%	0.659	55%	0.553	S	S	*	*	H	α-helix	trans	-86.6	-20.1	177.8	-64.6	-65.6	113.9	0	0	114	H69	H69-E73 WeakPolarHBondContact CE1-CG 3.23Å; H69-E73 VanDerWaalsContact ND1-CG 3.33Å; H69-E73 WeakPolarHBondContact ND1-CG 3.48Å; H69-E73 WeakPolarHBondContact O-CG 3.45Å; H69-E73 PolarHBondContact O-N 3.12Å
74	G	60.3	Low	58.2	Low	26 Å²	26	117.6 Å²	117.6	27%	0.268	59%	0.587	S	S	.	*			trans	71.1	-172.3	-171.9	0	0	0	0	0	114.2	Q70	Q70-G74 PolarHBondContact NE2-O 2.71Å
75	P	53.9	Low	55.7	Low	116 Å²	116	121 Å²	121	75%	0.753	62%	0.622	S	S	*	*	S	Bend	trans	-77	135.6	178.5	30.7	-33.1	0	0	0	111.2	Q77	P75-Q77 PolarHBondContact O-N 2.69Å
76	P	40.8	Very low	53.4	Low	112 Å²	112	121.3 Å²	121.3	73%	0.727	64%	0.637	S	S	*	*			trans	-66.1	121.9	178.7	26.9	-34	0	0	0	110.8	Q78	P76-Q78 PolarHBondContact O-N 3.07Å
77	Q	38.7	Very low	50.9	Low	176 Å²	176	122.9 Å²	122.9	82%	0.822	65%	0.651	S	S	*	*			trans	-64.6	105.9	173.8	-71.1	-175.3	-48.6	0	0	110.2	P75 N79	P75-Q77 PolarHBondContact O-N 2.69Å; Q77-N79 PolarHBondContact O-N 3.01Å; Q77-N79 VanDerWaalsContact O-N 3.12Å
78	Q	34.5	Very low	48.5	Very low	186 Å²	186	124.4 Å²	124.4	87%	0.869	67%	0.673	S	S	*	*			trans	-74.6	99.2	166.4	-72.2	-168.9	-12.2	0	0	108.9	P76 S80	P76-Q78 PolarHBondContact O-N 3.07Å; Q78-S80 PolarHBondContact O-N 3.12Å; Q78-S80 VanDerWaalsContact O-N 3.15Å
79	N	34	Very low	46.5	Very low	144 Å²	144	128.9 Å²	128.9	77%	0.77	71%	0.712	S	S	*	*			trans	-65	110.4	174.4	-70	-29.6	0	0	0	110.6	Q77	Q77-N79 PolarHBondContact O-N 3.01Å; Q77-N79 VanDerWaalsContact O-N 3.12Å
80	S	31.7	Very low	44.2	Very low	110 Å²	110	131.3 Å²	131.3	77%	0.769	72%	0.724	S	S	*	*			trans	-143.6	85.5	158.4	65.9	0	0	0	0	109.6	Q78 E82	Q78-S80 PolarHBondContact O-N 3.12Å; Q78-S80 VanDerWaalsContact O-N 3.15Å; S80-E82 PolarHBondContact O-N 3.23Å
81	D	33	Very low	41.9	Very low	155 Å²	155	133.1 Å²	133.1	83%	0.829	74%	0.737	S	S	*	*			trans	-56.1	128.9	160.1	-71.1	-72.9	0	0	0	109.5
82	E	35.7	Very low	40	Very low	184 Å²	184	137.2 Å²	137.2	86%	0.86	76%	0.762	S	S	*	*				-167.6	90.9	115.7	-102.5	-168.8	149.3	0	0	112.1	S80	S80-E82 PolarHBondContact O-N 3.23Å
83	N	31.1	Very low	37.9	Very low	143 Å²	143	136 Å²	136	77%	0.765	77%	0.769	S	S	*	*				49.8	97.4	127	-174.3	11.7	0	0	0	118.8
84	R	31.5	Very low	36.4	Very low	245 Å²	245	136.3 Å²	136.3	93%	0.925	78%	0.775	S	S	*	*				-162.7	129.9	127.6	-118.2	174.9	-172.8	-176.7	3.3	115.5
85	G	28	Very low	35.7	Very low	72 Å²	72	139 Å²	139	74%	0.742	80%	0.803	S	S	*	*			trans	88.3	113.7	148.2	0	0	0	0	0	116.3
86	A	32.4	Very low	35.4	Very low	95 Å²	95	136.9 Å²	136.9	79%	0.785	79%	0.785	S	S	*	*			trans	-52.7	157.2	160.4	0	0	0	0	0	110.7
87	E	29.3	Very low	35.9	Very low	180 Å²	180	134 Å²	134	84%	0.841	77%	0.768	S	S	*	*				-158.4	177.5	60.5	-80.1	167.3	-175.2	0	0	112.5
88	S	29.4	Very low	36.3	Very low	105 Å²	105	126.2 Å²	126.2	73%	0.734	73%	0.732	S	S	*	*			trans	70.6	118.6	173.7	-58.7	0	0	0	0	117.3
89	A	39.8	Very low	36.9	Very low	111 Å²	111	121.1 Å²	121.1	92%	0.917	71%	0.709	S	S	*	*			trans	-82.5	112.1	156.4	0	0	0	0	0	108
90	E	33.5	Very low	37.8	Very low	170 Å²	170	119 Å²	119	79%	0.794	70%	0.698	S	S	*	*			trans	-102.2	144.7	167.3	-61.4	-149	145.3	0	0	109.9	V92	E90-V92 PolarHBondContact O-N 3.39Å
91	D	33.5	Very low	38.9	Very low	154 Å²	154	115.6 Å²	115.6	82%	0.824	67%	0.669	S	S	*	*			trans	-57.3	131.8	173.5	-80.4	-60.5	0	0	0	110.4	S93	D91-S93 PolarHBondContact O-N 3.33Å
92	V	39.2	Very low	39.7	Very low	137 Å²	137	108.9 Å²	108.9	83%	0.83	63%	0.633	S	S	*	*			trans	-77	59.9	162.7	-169.2	0	0	0	0	108.6	E90 N94	E90-V92 PolarHBondContact O-N 3.39Å; V92-N94 PolarHBondContact O-N 3.12Å
93	S	35.2	Very low	40.4	Very low	94 Å²	94	103.3 Å²	103.3	66%	0.657	61%	0.609	S	S	*	*			trans	-75.3	108.7	172.1	-175.5	0	0	0	0	108.1	D91 G95	D91-S93 PolarHBondContact O-N 3.33Å; S93-G95 PolarHBondContact O-N 2.92Å
94	N	38.3	Very low	41.4	Very low	147 Å²	147	99.6 Å²	99.6	79%	0.786	59%	0.594	S	S	*	*			trans	-50.7	124.5	-169.6	-73.9	-34.8	0	0	0	112.8	V92 D96	V92-N94 PolarHBondContact O-N 3.12Å; N94-D96 PolarHBondContact O-N 3.18Å
95	G	45.4	Very low	42.2	Very low	84 Å²	84	88.3 Å²	88.3	87%	0.866	55%	0.552	S	S	*	*	S	Bend	trans	-75.4	76.3	-169.2	0	0	0	0	0	115.7	S93	S93-G95 PolarHBondContact O-N 2.92Å
96	D	49.3	Very low	43.1	Very low	70 Å²	70	88.6 Å²	88.6	37%	0.374	53%	0.531	S	S	.	.			trans	-143.7	57.8	154.4	-141.4	-30.3	0	0	0	110.2	N94 Q406 R410	N94-D96 PolarHBondContact O-N 3.18Å; D96-Q406 PolarHBondContact O-NE2 2.89Å; D96-Q406 PolarHBondContact OD1-NE2 2.68Å; D96-R410 VanDerWaalsContact CG-NH2 3.31Å; D96-R410 IonicContact OD1-NH2 3.18Å; D96-R410 PolarHBondContact OD1-NH2 3.46Å; D96-R410 VanDerWaalsContact OD1-NH2 3.07Å; D96-R410 IonicContact OD2-CZ 3.01Å; D96-R410 IonicContact OD2-NH1 2.69Å; D96-R410 IonicContact OD2-NH2 3.07Å; D96-R410 PolarHBondContact OD2-NH2 2.79Å
97	S	51	Low	43.7	Very low	51 Å²	51	92 Å²	92	36%	0.357	53%	0.53	S	S	.	.			trans	-67.9	138.3	167.8	174.2	0	0	0	0	110.5	I99 D100 W101	S97-I99 PolarHBondContact O-N 3.05Å; S97-I99 PolarHBondContact OG-N 2.85Å; S97-D100 WeakPolarHBondContact CB-OD2 3.42Å; S97-D100 PolarHBondContact O-N 3.07Å; S97-D100 VanDerWaalsContact O-N 3.11Å; S97-W101 PolarHBondContact O-N 3.13Å
98	I	46	Very low	44.6	Very low	13 Å²	13	87.5 Å²	87.5	7%	0.067	52%	0.515	C	S	.	.	H	α-helix	trans	-50.9	-31.6	175	-121.3	-178.6	0	0	0	112.1	L102 I392 S402 I405 Q406	I98-L102 HydrophobicContact CG2-CD1 4.11Å; I98-L102 WeakPolarHBondContact O-CB 2.99Å; I98-L102 WeakPolarHBondContact O-CD1 3.49Å; I98-L102 WeakPolarHBondContact O-CG 3.21Å; I98-L102 PolarHBondContact O-N 3.21Å; I98-I392 HydrophobicContact CD1-CG2 3.86Å; I98-I392 HydrophobicContact CG2-CG2 3.87Å; I98-S402 WeakPolarHBondContact CB-OG 3.03Å; I98-S402 VanDerWaalsContact CG1-OG 3.25Å; I98-S402 WeakPolarHBondContact CG1-OG 3.09Å; I98-I405 HydrophobicContact CD1-CB 4.14Å; I98-I405 HydrophobicContact CD1-CG2 4.04Å; I98-Q406 HydrophobicContact CG1-CG 3.72Å
99	I	48.4	Very low	45.7	Very low	79 Å²	79	83.6 Å²	83.6	41%	0.405	49%	0.492	S	S	.	.	H	α-helix	trans	-68.7	-47	-174.8	-60.3	179.8	0	0	0	109.8	S97 L102 N103 L393	S97-I99 PolarHBondContact O-N 3.05Å; S97-I99 PolarHBondContact OG-N 2.85Å; I99-L102 PolarHBondContact O-N 2.84Å; I99-N103 WeakPolarHBondContact O-CB 3.49Å; I99-N103 PolarHBondContact O-N 2.86Å; I99-N103 PolarHBondContact O-ND2 3.02Å; I99-N103 VanDerWaalsContact O-ND2 3.14Å; I99-L393 HydrophobicContact CD1-CD2 4.25Å; I99-L393 HydrophobicContact CG1-CD2 3.91Å
100	D	52.4	Low	46.5	Very low	101 Å²	101	82.6 Å²	82.6	54%	0.54	47%	0.471	S	S	.	.	H	α-helix	trans	-77.4	-36.9	-175.1	-58.3	-52.5	0	0	0	112.1	S97 L102 N103 S104	S97-D100 WeakPolarHBondContact CB-OD2 3.42Å; S97-D100 PolarHBondContact O-N 3.07Å; S97-D100 VanDerWaalsContact O-N 3.11Å; D100-L102 PolarHBondContact O-N 2.78Å; D100-N103 PolarHBondContact O-N 2.67Å; D100-S104 WeakPolarHBondContact O-CB 3.38Å; D100-S104 PolarHBondContact O-N 3.07Å
101	W	54.6	Low	47.4	Very low	37 Å²	37	77.6 Å²	77.6	14%	0.14	45%	0.452	C	S	.	.	H	α-helix	trans	-59.7	-45.9	168.1	-175.6	84.9	0	0	0	111.4	S97 N103 S104 V105 L409 M413	S97-W101 PolarHBondContact O-N 3.13Å; W101-N103 VanDerWaalsContact C-N 3.31Å; W101-N103 PolarHBondContact O-N 2.75Å; W101-S104 PolarHBondContact O-N 3.35Å; W101-V105 HydrophobicContact CD2-CG2 4.1Å; W101-V105 HydrophobicContact CE3-CG2 4.31Å; W101-V105 HydrophobicContact CH2-CG2 3.86Å; W101-V105 HydrophobicContact CZ2-CG2 3.66Å; W101-V105 HydrophobicContact CZ3-CG2 4.2Å; W101-V105 WeakPolarHBondContact O-CB 3.47Å; W101-V105 WeakPolarHBondContact O-CG2 3.35Å; W101-V105 PolarHBondContact O-N 3.48Å; W101-L409 HydrophobicContact CH2-CB 3.51Å; W101-L409 HydrophobicContact CH2-CD1 4.2Å; W101-L409 HydrophobicContact CH2-CG 4.48Å; W101-L409 HydrophobicContact CZ2-CB 4.23Å; W101-L409 HydrophobicContact CZ3-CB 4Å; W101-L409 HydrophobicContact CZ3-CD1 3.87Å; W101-M413 HydrophobicContact CH2-SD 4.15Å; W101-M413 HydrophobicContact CZ2-SD 4.04Å
102	L	50.2	Low	48.4	Very low	14 Å²	14	73.5 Å²	73.5	7%	0.073	43%	0.433	C	S	.	.	H	α-helix	trans	-65.9	-31	175.3	-76.2	173.1	0	0	0	113	I98 I99 D100 R106 I389	I98-L102 HydrophobicContact CG2-CD1 4.11Å; I98-L102 WeakPolarHBondContact O-CB 2.99Å; I98-L102 WeakPolarHBondContact O-CD1 3.49Å; I98-L102 WeakPolarHBondContact O-CG 3.21Å; I98-L102 PolarHBondContact O-N 3.21Å; I99-L102 PolarHBondContact O-N 2.84Å; D100-L102 PolarHBondContact O-N 2.78Å; L102-R106 WeakPolarHBondContact O-CB 3.45Å; L102-R106 WeakPolarHBondContact O-CD 3.38Å; L102-R106 WeakPolarHBondContact O-CG 3.49Å; L102-R106 PolarHBondContact O-N 3.18Å; L102-I389 HydrophobicContact CD1-CG2 3.86Å; L102-I389 HydrophobicContact CD2-CD1 4.17Å
103	N	49.2	Very low	49	Very low	68 Å²	68	72.3 Å²	72.3	36%	0.364	41%	0.414	S	S	.	.	H	α-helix	trans	-72.2	-44	177.1	-72.3	-25.7	0	0	0	111.6	I99 D100 W101 R106 Q107	I99-N103 WeakPolarHBondContact O-CB 3.49Å; I99-N103 PolarHBondContact O-N 2.86Å; I99-N103 PolarHBondContact O-ND2 3.02Å; I99-N103 VanDerWaalsContact O-ND2 3.14Å; D100-N103 PolarHBondContact O-N 2.67Å; W101-N103 VanDerWaalsContact C-N 3.31Å; W101-N103 PolarHBondContact O-N 2.75Å; N103-R106 WeakPolarHBondContact O-CB 3.03Å; N103-R106 PolarHBondContact O-N 3.09Å; N103-Q107 PolarHBondContact O-N 2.87Å; N103-Q107 VanDerWaalsContact O-N 3.09Å; N103-Q107 PolarHBondContact O-OE1 3.48Å
104	S	52.4	Low	49.9	Very low	64 Å²	64	71.8 Å²	71.8	45%	0.448	41%	0.41	S	S	.	.	H	α-helix	trans	-57.5	-48.2	170	179.5	0	0	0	0	111.2	D100 W101 R106 Q107 T108	D100-S104 WeakPolarHBondContact O-CB 3.38Å; D100-S104 PolarHBondContact O-N 3.07Å; W101-S104 PolarHBondContact O-N 3.35Å; S104-R106 VanDerWaalsContact C-N 3.34Å; S104-R106 PolarHBondContact O-N 3.06Å; S104-Q107 WeakPolarHBondContact O-CA 3.09Å; S104-Q107 WeakPolarHBondContact O-CB 3.44Å; S104-Q107 PolarHBondContact O-N 2.97Å; S104-T108 PolarHBondContact O-N 3.45Å
105	V	48.1	Very low	50.5	Low	9 Å²	9	66 Å²	66	6%	0.055	38%	0.384	C	S	.	.	H	α-helix	trans	-63.8	-35.3	176.9	172.3	0	0	0	0	112.5	W101 Q107 T108 T128 F135 M413	W101-V105 HydrophobicContact CD2-CG2 4.1Å; W101-V105 HydrophobicContact CE3-CG2 4.31Å; W101-V105 HydrophobicContact CH2-CG2 3.86Å; W101-V105 HydrophobicContact CZ2-CG2 3.66Å; W101-V105 HydrophobicContact CZ3-CG2 4.2Å; W101-V105 WeakPolarHBondContact O-CB 3.47Å; W101-V105 WeakPolarHBondContact O-CG2 3.35Å; W101-V105 PolarHBondContact O-N 3.48Å; V105-Q107 VanDerWaalsContact C-N 3.26Å; V105-Q107 PolarHBondContact O-N 3.18Å; V105-T108 PolarHBondContact O-N 3.35Å; V105-T108 PolarHBondContact O-OG1 3.35Å; V105-T128 HydrophobicContact CG1-CG2 4.43Å; V105-F135 HydrophobicContact CG1-CE2 4.47Å; V105-M413 HydrophobicContact CG2-CE 4.35Å
106	R	48.4	Very low	50.6	Low	78 Å²	78	69.4 Å²	69.4	29%	0.294	38%	0.378	S	S	.	.	H	α-helix	trans	-60.3	-35.1	170.9	-76.2	161.7	-173.5	-99.1	8.1	112.2	L102 N103 S104	L102-R106 WeakPolarHBondContact O-CB 3.45Å; L102-R106 WeakPolarHBondContact O-CD 3.38Å; L102-R106 WeakPolarHBondContact O-CG 3.49Å; L102-R106 PolarHBondContact O-N 3.18Å; N103-R106 WeakPolarHBondContact O-CB 3.03Å; N103-R106 PolarHBondContact O-N 3.09Å; S104-R106 VanDerWaalsContact C-N 3.34Å; S104-R106 PolarHBondContact O-N 3.06Å
107	Q	45.2	Very low	50.3	Low	165 Å²	165	70.7 Å²	70.7	77%	0.771	38%	0.377	S	S	*	.	H	α-helix	trans	-76.3	-31.8	177.8	-70.7	163.1	-36.3	0	0	112.6	N103 S104 V105 G109	N103-Q107 PolarHBondContact O-N 2.87Å; N103-Q107 VanDerWaalsContact O-N 3.09Å; N103-Q107 PolarHBondContact O-OE1 3.48Å; S104-Q107 WeakPolarHBondContact O-CA 3.09Å; S104-Q107 WeakPolarHBondContact O-CB 3.44Å; S104-Q107 PolarHBondContact O-N 2.97Å; V105-Q107 VanDerWaalsContact C-N 3.26Å; V105-Q107 PolarHBondContact O-N 3.18Å; Q107-G109 PolarHBondContact O-N 3.13Å
108	T	48	Very low	50.6	Low	86 Å²	86	71.5 Å²	71.5	53%	0.528	39%	0.394	S	S	.	.	H	α-helix	trans	-66.9	-17.4	175.7	64.8	0	0	0	0	115	S104 V105	S104-T108 PolarHBondContact O-N 3.45Å; V105-T108 PolarHBondContact O-N 3.35Å; V105-T108 PolarHBondContact O-OG1 3.35Å
109	G	52.5	Low	50.9	Low	23 Å²	23	74.2 Å²	74.2	24%	0.237	41%	0.409	C	S	.	.			trans	73	-153.7	173.4	0	0	0	0	0	115.4	Q107 T111	Q107-G109 PolarHBondContact O-N 3.13Å; G109-T111 PolarHBondContact O-N 3.21Å
110	N	56.1	Low	50.9	Low	90 Å²	90	73.3 Å²	73.3	48%	0.481	40%	0.403	S	S	.	.	S	Bend	trans	-81.8	93.7	-177.7	-54.2	-74	0	0	0	110.5	S126 R127	N110-S126 WeakPolarHBondContact CA-O 3.44Å; N110-R127 HydrophobicContact CB-CG 4.39Å; N110-R127 WeakPolarHBondContact OD1-CA 3.38Å; N110-R127 WeakPolarHBondContact OD1-CB 3.22Å; N110-R127 VanDerWaalsContact OD1-CG 3.25Å; N110-R127 WeakPolarHBondContact OD1-CG 3.47Å
111	T	52.7	Low	50.9	Low	66 Å²	66	70.2 Å²	70.2	41%	0.405	39%	0.389	S	S	.	.			trans	-79.7	152	174.8	-173.8	0	0	0	0	112.5	G109 S126	G109-T111 PolarHBondContact O-N 3.21Å; T111-S126 WeakPolarHBondContact CG2-OG 3.22Å; T111-S126 PolarHBondContact O-N 2.85Å
112	T	54.5	Low	50.8	Low	68 Å²	68	71.3 Å²	71.3	42%	0.417	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	121.2	175.8	-68.1	0	0	0	0	108.4	R123 A124 V125	T112-R123 HydrophobicContact CG2-CG 4.33Å; T112-A124 CarbonylContact C-O 3.59Å; T112-A124 VanDerWaalsContact CA-O 3.31Å; T112-A124 WeakPolarHBondContact CA-O 3.2Å; T112-V125 HydrophobicContact CG2-CG2 4.08Å
113	R	52	Low	51.1	Low	112 Å²	112	73.4 Å²	73.4	42%	0.423	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	143.2	178.2	-167	-178.8	178.4	-170.2	-3.6	108.6	W122 R123 A124 T414	R113-W122 HydrophobicContact CB-CZ3 4.21Å; R113-W122 HydrophobicContact CG-CH2 3.84Å; R113-W122 HydrophobicContact CG-CZ3 3.97Å; R113-R123 CarbonylContact O-C 3.56Å; R113-R123 WeakPolarHBondContact O-CA 3.4Å; R113-A124 PolarHBondContact N-O 2.84Å; R113-A124 PolarHBondContact O-N 2.9Å; R113-T414 PolarHBondContact NH1-O 3.31Å
114	S	53.8	Low	51.3	Low	83 Å²	83	70.7 Å²	70.7	58%	0.58	39%	0.387	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-148.9	152.5	178.4	49.2	0	0	0	0	111.3	W122	S114-W122 CarbonylContact C-O 3.58Å; S114-W122 WeakPolarHBondContact CA-O 3.37Å; S114-W122 WeakPolarHBondContact CB-O 3.38Å
115	G	50.5	Low	51.5	Low	24 Å²	24	68.2 Å²	68.2	25%	0.247	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.8	168.8	178.7	0	0	0	0	0	112.1	S121 W122	G115-S121 CarbonylContact O-C 3.58Å; G115-S121 WeakPolarHBondContact O-CA 3.32Å; G115-W122 PolarHBondContact N-O 2.88Å; G115-W122 PolarHBondContact O-N 2.78Å
116	Q	47.9	Very low	51.9	Low	156 Å²	156	68.1 Å²	68.1	73%	0.729	37%	0.369	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-148.7	135.9	-178.6	178.7	174.3	-19.3	0	0	109.8	Q120	Q116-Q120 CarbonylContact C-O 3.58Å; Q116-Q120 WeakPolarHBondContact CA-O 3.02Å; Q116-Q120 WeakPolarHBondContact CG-O 3.22Å
117	R	41.6	Very low	52.3	Low	97 Å²	97	69.2 Å²	69.2	37%	0.366	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	121.1	173.3	-178.5	173.2	178.5	-104.1	11.7	108.5	N119 Q120 M423 Y424	R117-N119 PolarHBondContact O-N 3.44Å; R117-Q120 PolarHBondContact N-O 3.18Å; R117-Q120 PolarHBondContact O-N 3Å; R117-M423 VanDerWaalsContact CZ-O 3.22Å; R117-M423 PolarHBondContact NH1-O 3.42Å; R117-M423 PolarHBondContact NH2-O 2.77Å; R117-Y424 PolarHBondContact NE-OH 3.21Å; R117-Y424 VanDerWaalsContact NH2-CD1 3.34Å; R117-Y424 VanDerWaalsContact NH2-CE1 3.27Å; R117-Y424 VanDerWaalsContact NH2-CG 3.33Å
118	G	59.1	Low	52.7	Low	69 Å²	69	62.5 Å²	62.5	71%	0.711	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.9	-124.6	-177.9	0	0	0	0	0	112.6	Q120	G118-Q120 VanDerWaalsContact C-N 3.29Å; G118-Q120 PolarHBondContact O-N 2.78Å
119	N	52.4	Low	52.8	Low	69 Å²	69	62 Å²	62	37%	0.369	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.5	1.7	178.9	71.9	-22.1	0	0	0	114.6	R117 N144	R117-N119 PolarHBondContact O-N 3.44Å; N119-N144 HydrophobicContact CB-CB 4.2Å; N119-N144 WeakPolarHBondContact CB-O 3.42Å; N119-N144 PolarHBondContact ND2-O 3.33Å; N119-N144 PolarHBondContact O-N 3.49Å
120	Q	46.6	Very low	52.6	Low	60 Å²	60	65.1 Å²	65.1	28%	0.28	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	141.6	-177.4	-48.3	-165.1	18.6	0	0	112.5	Q116 R117 G118 N142 V143	Q116-Q120 CarbonylContact C-O 3.58Å; Q116-Q120 WeakPolarHBondContact CA-O 3.02Å; Q116-Q120 WeakPolarHBondContact CG-O 3.22Å; R117-Q120 PolarHBondContact N-O 3.18Å; R117-Q120 PolarHBondContact O-N 3Å; G118-Q120 VanDerWaalsContact C-N 3.29Å; G118-Q120 PolarHBondContact O-N 2.78Å; Q120-N142 VanDerWaalsContact CA-O 3.29Å; Q120-N142 WeakPolarHBondContact CA-O 3.19Å; Q120-V143 HydrophobicContact CG-CG1 4.3Å; Q120-V143 HydrophobicContact CG-CG2 4.09Å
121	S	52.3	Low	52.2	Low	37 Å²	37	67.2 Å²	67.2	26%	0.259	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	146	172	52.7	0	0	0	0	111.1	G115 N142	G115-S121 CarbonylContact O-C 3.58Å; G115-S121 WeakPolarHBondContact O-CA 3.32Å; S121-N142 PolarHBondContact N-O 2.8Å; S121-N142 PolarHBondContact O-N 3.12Å
122	W	52.5	Low	52.2	Low	60 Å²	60	66.2 Å²	66.2	23%	0.227	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	153.9	-176.6	61	-98.8	0	0	0	112.9	R113 S114 G115 E140 I141 F416	R113-W122 HydrophobicContact CB-CZ3 4.21Å; R113-W122 HydrophobicContact CG-CH2 3.84Å; R113-W122 HydrophobicContact CG-CZ3 3.97Å; S114-W122 CarbonylContact C-O 3.58Å; S114-W122 WeakPolarHBondContact CA-O 3.37Å; S114-W122 WeakPolarHBondContact CB-O 3.38Å; G115-W122 PolarHBondContact N-O 2.88Å; G115-W122 PolarHBondContact O-N 2.78Å; W122-E140 CarbonylContact C-O 3.56Å; W122-E140 WeakPolarHBondContact CA-O 3.38Å; W122-I141 HydrophobicContact CB-CG1 4.19Å; W122-F416 HydrophobicContact CE3-CD1 4.48Å; W122-F416 HydrophobicContact CH2-CB 4.16Å; W122-F416 HydrophobicContact CZ3-CD1 4.36Å
123	R	56.5	Low	52	Low	58 Å²	58	63.2 Å²	63.2	22%	0.219	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	116.2	178.1	-178.7	172.3	177.5	-110.1	3.1	111.4	T112 R113 V125 L139 E140 T346	T112-R123 HydrophobicContact CG2-CG 4.33Å; R113-R123 CarbonylContact O-C 3.56Å; R113-R123 WeakPolarHBondContact O-CA 3.4Å; R123-V125 HydrophobicContact CG-CG2 4.3Å; R123-L139 WeakPolarHBondContact O-CA 3.46Å; R123-E140 HydrophobicContact CB-CB 4.48Å; R123-E140 PolarHBondContact N-O 3.49Å; R123-E140 PolarHBondContact O-N 2.84Å; R123-T346 PolarHBondContact NH2-OG1 3.41Å; R123-T346 VanDerWaalsContact NH2-OG1 3.08Å
124	A	54.5	Low	51.8	Low	10 Å²	10	59.7 Å²	59.7	8%	0.083	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	139.6	170.4	0	0	0	0	0	110.6	T112 R113 F137 S138 L139	T112-A124 CarbonylContact C-O 3.59Å; T112-A124 VanDerWaalsContact CA-O 3.31Å; T112-A124 WeakPolarHBondContact CA-O 3.2Å; R113-A124 PolarHBondContact N-O 2.84Å; R113-A124 PolarHBondContact O-N 2.9Å; A124-F137 HydrophobicContact CB-CE2 4.02Å; A124-F137 HydrophobicContact CB-CZ 4.06Å; A124-S138 CarbonylContact C-O 3.54Å; A124-S138 WeakPolarHBondContact CA-O 3.38Å; A124-L139 HydrophobicContact CB-CD1 4.14Å
125	V	56.8	Low	51.7	Low	13 Å²	13	56.3 Å²	56.3	8%	0.079	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	125.5	174.5	-178.4	0	0	0	0	108.7	T112 R123 R127 F137 S138	T112-V125 HydrophobicContact CG2-CG2 4.08Å; R123-V125 HydrophobicContact CG-CG2 4.3Å; V125-R127 HydrophobicContact CG1-CG 4.33Å; V125-F137 CarbonylContact O-C 3.5Å; V125-S138 PolarHBondContact N-O 3.5Å; V125-S138 PolarHBondContact O-N 3.1Å
126	S	56.6	Low	51.8	Low	6 Å²	6	59.6 Å²	59.6	4%	0.042	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	151.7	166.6	80.9	0	0	0	0	111	N110 T111 R136	N110-S126 WeakPolarHBondContact CA-O 3.44Å; T111-S126 WeakPolarHBondContact CG2-OG 3.22Å; T111-S126 PolarHBondContact O-N 2.85Å; S126-R136 CarbonylContact C-O 3.58Å; S126-R136 WeakPolarHBondContact CA-O 3.39Å
127	R	56.8	Low	52.1	Low	101 Å²	101	53 Å²	53	38%	0.381	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	124.1	172	-61.7	-165.1	169.8	-120.2	-1.9	110.8	N110 V125 R136 T346	N110-R127 HydrophobicContact CB-CG 4.39Å; N110-R127 WeakPolarHBondContact OD1-CA 3.38Å; N110-R127 WeakPolarHBondContact OD1-CB 3.22Å; N110-R127 VanDerWaalsContact OD1-CG 3.25Å; N110-R127 WeakPolarHBondContact OD1-CG 3.47Å; V125-R127 HydrophobicContact CG1-CG 4.33Å; R127-R136 PolarHBondContact N-O 3.17Å; R127-R136 PolarHBondContact O-N 2.95Å; R127-T346 VanDerWaalsContact NH2-CG2 3.29Å
128	T	52.7	Low	52.6	Low	24 Å²	24	49.4 Å²	49.4	15%	0.147	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	125	167.8	38	0	0	0	0	109.2	V105 P130 F135	V105-T128 HydrophobicContact CG1-CG2 4.43Å; T128-P130 WeakPolarHBondContact O-CD 3.35Å; T128-F135 HydrophobicContact CG2-CD2 3.75Å; T128-F135 HydrophobicContact CG2-CE2 4.29Å
129	N	51.3	Low	52.3	Low	76 Å²	76	46.8 Å²	46.8	41%	0.406	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	107.5	164.5	-179.9	-14.4	0	0	0	108.8	N131 S132 G133 D134	N129-N131 PolarHBondContact O-N 2.98Å; N129-N131 PolarHBondContact OD1-N 2.77Å; N129-N131 VanDerWaalsContact OD1-N 3.1Å; N129-S132 VanDerWaalsContact CB-OG 3.3Å; N129-S132 WeakPolarHBondContact CB-OG 3.42Å; N129-S132 PolarHBondContact ND2-OG 2.89Å; N129-S132 PolarHBondContact O-N 2.88Å; N129-S132 PolarHBondContact OD1-N 2.87Å; N129-G133 PolarHBondContact O-N 3.02Å; N129-D134 PolarHBondContact N-O 3.44Å
130	P	48.5	Very low	52.3	Low	88 Å²	88	44.9 Å²	44.9	57%	0.571	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.4	-33.9	-174.5	23.9	-33.5	0	0	0	112.4	T128	T128-P130 WeakPolarHBondContact O-CD 3.35Å
131	N	45.7	Very low	52.5	Low	134 Å²	134	44.4 Å²	44.4	72%	0.717	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.1	-36.4	-173.9	-62.7	2.2	0	0	0	112.1	N129 R390	N129-N131 PolarHBondContact O-N 2.98Å; N129-N131 PolarHBondContact OD1-N 2.77Å; N129-N131 VanDerWaalsContact OD1-N 3.1Å; N131-R390 PolarHBondContact O-NH2 2.82Å
132	S	54.5	Low	52.5	Low	45 Å²	45	44.1 Å²	44.1	32%	0.315	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.7	-29	179.2	66.7	0	0	0	0	113.9	N129 D134 R390	N129-S132 VanDerWaalsContact CB-OG 3.3Å; N129-S132 WeakPolarHBondContact CB-OG 3.42Å; N129-S132 PolarHBondContact ND2-OG 2.89Å; N129-S132 PolarHBondContact O-N 2.88Å; N129-S132 PolarHBondContact OD1-N 2.87Å; S132-D134 VanDerWaalsContact C-N 3.27Å; S132-D134 WeakPolarHBondContact OG-CB 3.34Å; S132-D134 PolarHBondContact OG-N 2.94Å; S132-R390 PolarHBondContact O-NE 2.69Å
133	G	49.5	Very low	52.4	Low	5 Å²	5	43 Å²	43	5%	0.052	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	70.5	25	-167.4	0	0	0	0	0	113.1	N129 I389	N129-G133 PolarHBondContact O-N 3.02Å; G133-I389 WeakPolarHBondContact O-CB 3.35Å; G133-I389 PolarHBondContact O-N 3.07Å
134	D	48.4	Very low	52.2	Low	38 Å²	38	43 Å²	43	20%	0.203	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	109.7	171.3	-176.2	24.2	0	0	0	107.9	N129 S132 R136	N129-D134 PolarHBondContact N-O 3.44Å; S132-D134 VanDerWaalsContact C-N 3.27Å; S132-D134 WeakPolarHBondContact OG-CB 3.34Å; S132-D134 PolarHBondContact OG-N 2.94Å; D134-R136 IonicContact OD1-NE 3.5Å; D134-R136 IonicContact OD2-CZ 3.73Å; D134-R136 IonicContact OD2-NE 3.44Å; D134-R136 PolarHBondContact OD2-NE 2.91Å; D134-R136 IonicContact OD2-NH2 3.83Å; D134-R136 PolarHBondContact OD2-NH2 3.22Å
135	F	50.2	Low	51.9	Low	13 Å²	13	50.7 Å²	50.7	6%	0.057	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	133.8	169.5	178.6	-90.4	0	0	0	109.4	V105 T128 F137 I387 I389	V105-F135 HydrophobicContact CG1-CE2 4.47Å; T128-F135 HydrophobicContact CG2-CD2 3.75Å; T128-F135 HydrophobicContact CG2-CE2 4.29Å; F135-F137 HydrophobicContact CE1-CB 4.02Å; F135-I387 HydrophobicContact CB-CB 4.38Å; F135-I387 HydrophobicContact CD1-CD1 4.26Å; F135-I387 HydrophobicContact CD1-CG1 4.5Å; F135-I387 PolarHBondContact N-O 3.43Å; F135-I387 PolarHBondContact O-N 3.43Å; F135-I389 HydrophobicContact CB-CD1 4.07Å
136	R	54.5	Low	51.4	Low	93 Å²	93	55.4 Å²	55.4	35%	0.351	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	124.7	177.4	-63	-171	-176.9	-148.9	2.3	111.7	S126 R127 D134 I385	S126-R136 CarbonylContact C-O 3.58Å; S126-R136 WeakPolarHBondContact CA-O 3.39Å; R127-R136 PolarHBondContact N-O 3.17Å; R127-R136 PolarHBondContact O-N 2.95Å; D134-R136 IonicContact OD1-NE 3.5Å; D134-R136 IonicContact OD2-CZ 3.73Å; D134-R136 IonicContact OD2-NE 3.44Å; D134-R136 PolarHBondContact OD2-NE 2.91Å; D134-R136 IonicContact OD2-NH2 3.83Å; D134-R136 PolarHBondContact OD2-NH2 3.22Å; R136-I385 WeakPolarHBondContact CA-O 3.23Å
137	F	52.6	Low	50.9	Low	17 Å²	17	62.9 Å²	62.9	8%	0.075	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	152.6	168.4	-178.3	-102.7	0	0	0	110.5	A124 V125 F135 L139 T384 I385 I412 F416	A124-F137 HydrophobicContact CB-CE2 4.02Å; A124-F137 HydrophobicContact CB-CZ 4.06Å; V125-F137 CarbonylContact O-C 3.5Å; F135-F137 HydrophobicContact CE1-CB 4.02Å; F137-L139 HydrophobicContact CE1-CB 3.85Å; F137-L139 HydrophobicContact CZ-CB 4.22Å; F137-T384 WeakPolarHBondContact O-CA 3.47Å; F137-T384 PolarHBondContact O-N 3.32Å; F137-I385 HydrophobicContact CB-CB 4.39Å; F137-I385 HydrophobicContact CD1-CD1 4.12Å; F137-I385 HydrophobicContact CD1-CG1 4.46Å; F137-I385 PolarHBondContact N-O 2.69Å; F137-I412 HydrophobicContact CD1-CG2 4.29Å; F137-I412 HydrophobicContact CD2-CG2 3.9Å; F137-I412 HydrophobicContact CE1-CG2 4.11Å; F137-I412 HydrophobicContact CE2-CG2 3.69Å; F137-I412 HydrophobicContact CG-CG2 4.19Å; F137-I412 HydrophobicContact CZ-CG2 3.8Å; F137-F416 HydrophobicContact CZ-CE2 4.44Å; F137-F416 HydrophobicContact CZ-CZ 4.39Å
138	S	51.9	Low	49.9	Very low	22 Å²	22	60.9 Å²	60.9	15%	0.154	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.5	132.5	171.6	-67.9	0	0	0	0	110.2	A124 V125 T384	A124-S138 CarbonylContact C-O 3.54Å; A124-S138 WeakPolarHBondContact CA-O 3.38Å; V125-S138 PolarHBondContact N-O 3.5Å; V125-S138 PolarHBondContact O-N 3.1Å; S138-T384 PolarHBondContact OG-N 2.71Å
139	L	52.9	Low	49.2	Very low	13 Å²	13	67.1 Å²	67.1	7%	0.068	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	130.1	178	176.6	67.7	0	0	0	109.7	R123 A124 F137 I141 V382 F416	R123-L139 WeakPolarHBondContact O-CA 3.46Å; A124-L139 HydrophobicContact CB-CD1 4.14Å; F137-L139 HydrophobicContact CE1-CB 3.85Å; F137-L139 HydrophobicContact CZ-CB 4.22Å; L139-I141 HydrophobicContact CD1-CG1 4.39Å; L139-I141 HydrophobicContact CD2-CD1 4.03Å; L139-I141 HydrophobicContact CD2-CG1 4.29Å; L139-I141 HydrophobicContact CG-CD1 4.34Å; L139-I141 HydrophobicContact CG-CG1 4.05Å; L139-V382 HydrophobicContact CB-CB 4.26Å; L139-V382 PolarHBondContact N-O 2.96Å; L139-V382 PolarHBondContact O-N 3.27Å; L139-F416 HydrophobicContact CD1-CE1 3.93Å; L139-F416 HydrophobicContact CD1-CZ 4.43Å; L139-F416 HydrophobicContact CD2-CE1 3.79Å; L139-F416 HydrophobicContact CD2-CZ 3.87Å
140	E	52.8	Low	48.2	Very low	29 Å²	29	69.8 Å²	69.8	14%	0.136	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	127.8	175	173.8	168.9	-148	0	0	107.3	W122 R123 Y381	W122-E140 CarbonylContact C-O 3.56Å; W122-E140 WeakPolarHBondContact CA-O 3.38Å; R123-E140 HydrophobicContact CB-CB 4.48Å; R123-E140 PolarHBondContact N-O 3.49Å; R123-E140 PolarHBondContact O-N 2.84Å; E140-Y381 HydrophobicContact CB-CD1 4.07Å; E140-Y381 HydrophobicContact CB-CE1 3.97Å; E140-Y381 HydrophobicContact CG-CD1 4.05Å; E140-Y381 HydrophobicContact CG-CE1 3.51Å; E140-Y381 WeakPolarHBondContact OE1-CE1 3.23Å; E140-Y381 VanDerWaalsContact OE1-CZ 3.22Å; E140-Y381 PolarHBondContact OE1-OH 2.95Å
141	I	51.1	Low	47.2	Very low	51 Å²	51	70.7 Å²	70.7	26%	0.262	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	122.3	175.9	-54.2	175.1	0	0	0	108	W122 L139 V143 T380	W122-I141 HydrophobicContact CB-CG1 4.19Å; L139-I141 HydrophobicContact CD1-CG1 4.39Å; L139-I141 HydrophobicContact CD2-CD1 4.03Å; L139-I141 HydrophobicContact CD2-CG1 4.29Å; L139-I141 HydrophobicContact CG-CD1 4.34Å; L139-I141 HydrophobicContact CG-CG1 4.05Å; I141-V143 HydrophobicContact CG2-CG2 4.38Å; I141-T380 PolarHBondContact N-O 2.79Å; I141-T380 PolarHBondContact O-N 2.98Å
142	N	51.8	Low	46.9	Very low	31 Å²	31	70.7 Å²	70.7	17%	0.166	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	132.6	179.5	-60.8	-25.1	0	0	0	109.2	Q120 S121 R379	Q120-N142 VanDerWaalsContact CA-O 3.29Å; Q120-N142 WeakPolarHBondContact CA-O 3.19Å; S121-N142 PolarHBondContact N-O 2.8Å; S121-N142 PolarHBondContact O-N 3.12Å; N142-R379 VanDerWaalsContact OD1-CD 3.31Å; N142-R379 WeakPolarHBondContact OD1-CD 3.26Å; N142-R379 WeakPolarHBondContact OD1-CG 3.25Å
143	V	50.2	Low	45.6	Very low	37 Å²	37	76 Å²	76	22%	0.224	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	117.1	178.4	-178.4	0	0	0	0	109.7	Q120 I141 R145 G377 V378	Q120-V143 HydrophobicContact CG-CG1 4.3Å; Q120-V143 HydrophobicContact CG-CG2 4.09Å; I141-V143 HydrophobicContact CG2-CG2 4.38Å; V143-R145 PolarHBondContact O-N 3.15Å; V143-G377 WeakPolarHBondContact O-CA 3.28Å; V143-V378 PolarHBondContact N-O 3.01Å; V143-V378 PolarHBondContact O-N 3.42Å
144	N	52.5	Low	44.8	Very low	56 Å²	56	81.9 Å²	81.9	30%	0.299	44%	0.444	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	96.8	176.4	-72.2	-13.7	0	0	0	110.3	N119 N146 G377	N119-N144 HydrophobicContact CB-CB 4.2Å; N119-N144 WeakPolarHBondContact CB-O 3.42Å; N119-N144 PolarHBondContact ND2-O 3.33Å; N119-N144 PolarHBondContact O-N 3.49Å; N144-N146 PolarHBondContact O-N 2.64Å; N144-G377 VanDerWaalsContact OD1-CA 3.22Å; N144-G377 WeakPolarHBondContact OD1-CA 3.41Å
145	R	48.2	Very low	44	Very low	173 Å²	173	87.9 Å²	87.9	65%	0.653	47%	0.471	S	S	*	.			trans	-82	58.1	-179	-159.7	-178.1	-165.6	148.7	7.4	111.8	V143 E510	V143-R145 PolarHBondContact O-N 3.15Å; R145-E510 IonicContact CZ-OE2 3.07Å; R145-E510 VanDerWaalsContact NH1-CD 3.25Å; R145-E510 IonicContact NH1-OE1 2.72Å; R145-E510 PolarHBondContact NH1-OE1 3.14Å; R145-E510 IonicContact NH1-OE2 2.67Å; R145-E510 PolarHBondContact NH1-OE2 2.97Å; R145-E510 IonicContact NH2-OE2 2.69Å; R145-E510 PolarHBondContact NH2-OE2 2.79Å
146	N	46.9	Very low	42.8	Very low	111 Å²	111	93.5 Å²	93.5	59%	0.594	50%	0.501	S	S	*	.			trans	-127.8	42.3	-169.6	-144.8	98.4	0	0	0	113.6	N144 A376	N144-N146 PolarHBondContact O-N 2.64Å; N146-A376 HydrophobicContact CB-CB 4.14Å; N146-A376 VanDerWaalsContact OD1-CB 3.32Å; N146-A376 WeakPolarHBondContact OD1-CB 3.32Å
147	N	45	Very low	41.5	Very low	164 Å²	164	96.5 Å²	96.5	88%	0.877	52%	0.519	S	S	*	.			trans	-91.3	90.9	157.8	-85.1	33.4	0	0	0	108.1
148	G	35.8	Very low	40.4	Very low	59 Å²	59	101.5 Å²	101.5	61%	0.608	55%	0.553	S	S	*	*			trans	-112.2	138.8	160.2	0	0	0	0	0	107.8	T150	G148-T150 PolarHBondContact O-N 2.82Å
149	N	38	Very low	39.1	Very low	154 Å²	154	104.7 Å²	104.7	82%	0.824	58%	0.576	S	S	*	*			trans	-53.2	136.9	-169.1	-68.8	12	0	0	0	113.7
150	T	31.2	Very low	37.8	Very low	133 Å²	133	110.4 Å²	110.4	82%	0.816	61%	0.611	S	S	*	*			trans	-126.7	100.7	153.7	53.5	0	0	0	0	107.7	G148	G148-T150 PolarHBondContact O-N 2.82Å
151	N	28.3	Very low	36.4	Very low	107 Å²	107	116.2 Å²	116.2	57%	0.572	64%	0.638	S	S	*	*			trans	-58.1	140.1	171.4	-89.4	19.6	0	0	0	109.8	E153	N151-E153 HydrophobicContact CB-CG 4.48Å; N151-E153 PolarHBondContact ND2-OE2 3.45Å; N151-E153 PolarHBondContact O-N 2.97Å; N151-E153 VanDerWaalsContact O-N 3.12Å
152	P	37.9	Very low	35.2	Very low	133 Å²	133	119.7 Å²	119.7	86%	0.864	66%	0.664	S	S	*	*			trans	-85	61.9	168.7	36.7	-34.3	0	0	0	110.3
153	E	27.3	Very low	33.9	Very low	156 Å²	156	122.9 Å²	122.9	73%	0.729	69%	0.689	S	S	*	*			trans	-104.8	118.7	172.5	-76.5	177.2	114.5	0	0	110.1	N151	N151-E153 HydrophobicContact CB-CG 4.48Å; N151-E153 PolarHBondContact ND2-OE2 3.45Å; N151-E153 PolarHBondContact O-N 2.97Å; N151-E153 VanDerWaalsContact O-N 3.12Å
154	T	33.6	Very low	32.7	Very low	129 Å²	129	126 Å²	126	79%	0.791	71%	0.713	S	S	*	*			trans	-70.5	139	175.4	48.7	0	0	0	0	111.2
155	E	30.7	Very low	31.4	Very low	165 Å²	165	127.2 Å²	127.2	77%	0.771	74%	0.738	S	S	*	*				-169.6	145.8	123.7	-110.6	179.3	-140.4	0	0	114.4
156	N	25.4	Very low	30.4	Very low	130 Å²	130	127.2 Å²	127.2	70%	0.695	75%	0.745	S	S	*	*			trans	58.8	92.1	152.4	-52.9	-33.6	0	0	0	120.2
157	E	28.3	Very low	29.5	Very low	156 Å²	156	129.8 Å²	129.8	73%	0.729	76%	0.759	S	S	*	*			trans	-72.7	154.9	142.9	-160.3	-156.3	-127.6	0	0	110.2	S159	E157-S159 VanDerWaalsContact OE2-CB 3.31Å; E157-S159 WeakPolarHBondContact OE2-CB 3.37Å; E157-S159 PolarHBondContact OE2-N 3.29Å; E157-S159 PolarHBondContact OE2-OG 3.14Å
158	P	28.3	Very low	28.8	Very low	122 Å²	122	129 Å²	129	79%	0.792	76%	0.755	S	S	*	*			trans	-117.3	126.4	144.2	34.1	-26.1	0	0	0	111.9
159	S	24.9	Very low	28.5	Very low	90 Å²	90	133.7 Å²	133.7	63%	0.629	76%	0.761	S	S	*	*			trans	-84	-156.1	-175.4	-29.2	0	0	0	0	113.5	E157	E157-S159 VanDerWaalsContact OE2-CB 3.31Å; E157-S159 WeakPolarHBondContact OE2-CB 3.37Å; E157-S159 PolarHBondContact OE2-N 3.29Å; E157-S159 PolarHBondContact OE2-OG 3.14Å
160	V	26	Very low	27.9	Very low	133 Å²	133	131.6 Å²	131.6	81%	0.806	75%	0.749	S	S	*	*			trans	85.6	121.8	176.1	-174.7	0	0	0	0	113.6
161	E	23.3	Very low	27.7	Very low	150 Å²	150	128.9 Å²	128.9	70%	0.701	74%	0.736	S	S	*	*			cis	-159.7	163.4	-5.9	-134.6	-179.2	-130.1	0	0	110.4
162	P	26.5	Very low	27.5	Very low	125 Å²	125	132.4 Å²	132.4	81%	0.812	75%	0.749	S	S	*	*			trans	-125.6	115	151	33.9	-20.5	0	0	0	112
163	S	23.4	Very low	26.9	Very low	97 Å²	97	130.5 Å²	130.5	68%	0.678	74%	0.738	S	S	*	*			trans	-90.7	128.7	-178.1	-162	0	0	0	0	113
164	S	24.6	Very low	26.9	Very low	104 Å²	104	129.3 Å²	129.3	73%	0.727	74%	0.737	S	S	*	*			trans	14.9	131.8	160.6	62.8	0	0	0	0	121
165	G	25.9	Very low	26.5	Very low	81 Å²	81	127.9 Å²	127.9	84%	0.835	73%	0.732	S	S	*	*			trans	-169.4	61.8	168.8	0	0	0	0	0	111.3
166	E	28.3	Very low	26.3	Very low	172 Å²	172	128.8 Å²	128.8	80%	0.804	74%	0.737	S	S	*	*			trans	-82.7	140.8	-174.9	-61.4	171.9	-156.3	0	0	111.9
167	D	26.8	Very low	26.5	Very low	165 Å²	165	130.1 Å²	130.1	88%	0.882	74%	0.742	S	S	*	*			trans	-152.6	138.5	148.1	-113.4	-34.9	0	0	0	111.1
168	L	31.4	Very low	26.7	Very low	149 Å²	149	128.2 Å²	128.2	78%	0.78	74%	0.743	S	S	*	*			trans	-82.5	174.4	-175	-63.8	141.8	0	0	0	110
169	E	28	Very low	26.4	Very low	157 Å²	157	133.6 Å²	133.6	73%	0.734	75%	0.748	S	S	*	*			cis	-161.2	176.8	7.3	-137.5	-169.3	42.8	0	0	106.3
170	N	25.1	Very low	26.5	Very low	110 Å²	110	134.2 Å²	134.2	59%	0.588	75%	0.752	S	S	*	*			cis	-157.3	169.7	-1.7	-154.5	-20.7	0	0	0	110.2
171	S	27.1	Very low	26.4	Very low	76 Å²	76	137.1 Å²	137.1	53%	0.531	76%	0.757	S	S	.	*			trans	27.7	131.7	142.5	-72.6	0	0	0	0	123.8
172	Q	25.1	Very low	26.5	Very low	180 Å²	180	135.2 Å²	135.2	84%	0.841	76%	0.76	S	S	*	*				68.7	151.7	128.9	-67.7	172.2	-18.3	0	0	119.4
173	S	25.6	Very low	27.2	Very low	93 Å²	93	134.3 Å²	134.3	65%	0.65	76%	0.755	S	S	*	*			cis	-159.8	173	-14.7	49	0	0	0	0	109.9
174	D	25.9	Very low	27.2	Very low	131 Å²	131	134.8 Å²	134.8	70%	0.701	76%	0.758	S	S	*	*			trans	56.3	119.9	156	-74.7	-62.6	0	0	0	122.4
175	S	25.2	Very low	27.3	Very low	99 Å²	99	135.6 Å²	135.6	69%	0.692	76%	0.758	S	S	*	*				33.3	103.4	104.9	-36.2	0	0	0	0	117.9
176	E	27.6	Very low	27.4	Very low	185 Å²	185	143 Å²	143	86%	0.864	76%	0.76	S	S	*	*				-171	157.2	114.4	-107.2	-176	170.4	0	0	113.2
177	I	29.5	Very low	27.5	Very low	158 Å²	158	143.4 Å²	143.4	81%	0.81	76%	0.763	S	S	*	*			trans	-112.2	121.4	171.4	-61.4	168.9	0	0	0	108.3
178	P	31.6	Very low	28.2	Very low	116 Å²	116	141.8 Å²	141.8	75%	0.753	76%	0.761	S	S	*	*			trans	-104.2	154.7	144.3	-13.4	31.6	0	0	0	112.3
179	R	23.7	Very low	27.9	Very low	235 Å²	235	137.9 Å²	137.9	89%	0.887	76%	0.757	S	S	*	*			trans	-88.1	162.7	175.5	-71	178.3	175.1	172.1	-1.3	111.6
180	S	26	Very low	27.9	Very low	103 Å²	103	135.1 Å²	135.1	72%	0.72	76%	0.755	S	S	*	*			trans	-44.6	143.1	160.1	52.4	0	0	0	0	113.9
181	E	24.9	Very low	28.1	Very low	193 Å²	193	137.9 Å²	137.9	90%	0.902	76%	0.764	S	S	*	*				-157.8	173.4	113.3	-111.3	168.3	-155.8	0	0	112.5
182	S	25	Very low	28.2	Very low	111 Å²	111	144 Å²	144	78%	0.776	78%	0.776	S	S	*	*			trans	-100.7	-152.7	-164.4	-52	0	0	0	0	110.1
183	P	40.1	Very low	28.3	Very low	106 Å²	106	140.4 Å²	140.4	69%	0.688	77%	0.77	S	S	*	*			cis	-139.3	-163.6	-10	39.5	-18.3	0	0	0	114.8
184	S	23.9	Very low	28.6	Very low	106 Å²	106	140.4 Å²	140.4	74%	0.741	78%	0.776	S	S	*	*			trans	78.1	148	149.2	-72.7	0	0	0	0	118
185	V	26.9	Very low	28.7	Very low	121 Å²	121	139.4 Å²	139.4	73%	0.733	78%	0.779	S	S	*	*			cis	-158.4	168.3	1.4	103.1	0	0	0	0	112.9
186	R	27.7	Very low	29	Very low	236 Å²	236	143.9 Å²	143.9	89%	0.891	79%	0.789	S	S	*	*			trans	80.3	112.7	159.7	-98.5	168.9	178.5	163.6	-1	121.6
187	Q	29.4	Very low	29.2	Very low	181 Å²	181	143.1 Å²	143.1	85%	0.846	79%	0.786	S	S	*	*			trans	-63.2	172.2	136.9	-77.3	-179.1	-3.8	0	0	111.3
188	P	41.8	Very low	29.2	Very low	131 Å²	131	141.9 Å²	141.9	85%	0.851	78%	0.78	S	S	*	*			cis	-129.6	-171.3	22.4	40.8	-21.7	0	0	0	114.1
189	G	25.6	Very low	29	Very low	67 Å²	67	141 Å²	141	69%	0.691	77%	0.772	S	S	*	*			cis	162.1	168.8	-7.2	0	0	0	0	0	111.5
190	S	28.3	Very low	29.1	Very low	100 Å²	100	135.6 Å²	135.6	70%	0.699	77%	0.766	S	S	*	*			trans	64.6	120.9	-179.7	-86.8	0	0	0	0	116.4
191	E	29.3	Very low	29.2	Very low	167 Å²	167	138.7 Å²	138.7	78%	0.78	77%	0.769	S	S	*	*				82.9	151.6	92.4	-74.2	-179.5	113.8	0	0	114.8
192	R	29.2	Very low	29.1	Very low	206 Å²	206	137.9 Å²	137.9	78%	0.777	77%	0.765	S	S	*	*			cis	-170.9	158.3	-23.2	-171.7	175.1	-173.1	-96.1	6	108.5
193	S	26.6	Very low	29.2	Very low	103 Å²	103	135.8 Å²	135.8	72%	0.72	76%	0.755	S	S	*	*			trans	72.1	165.1	165.7	-64	0	0	0	0	119
194	A	33	Very low	28.5	Very low	93 Å²	93	136.5 Å²	136.5	77%	0.769	76%	0.762	S	S	*	*			trans	-140.4	172.8	176.3	0	0	0	0	0	110.4
195	S	28	Very low	29.9	Very low	111 Å²	111	137 Å²	137	78%	0.776	76%	0.763	S	S	*	*			trans	-143.4	147.4	166.8	-46.2	0	0	0	0	107
196	E	31.2	Very low	30.9	Very low	192 Å²	192	137.4 Å²	137.4	90%	0.897	77%	0.768	S	S	*	*			cis	73	121.2	35.7	-61.6	-167.1	143.1	0	0	114.2
197	E	30.6	Very low	31.1	Very low	170 Å²	170	137.1 Å²	137.1	79%	0.794	77%	0.767	S	S	*	*			cis	-122.8	-108.9	-13.8	-165.2	-154.5	107	0	0	111.9	T199	E197-T199 PolarHBondContact OE1-N 3.47Å
198	L	30.2	Very low	31.1	Very low	131 Å²	131	132.1 Å²	132.1	69%	0.686	76%	0.764	S	S	*	*			cis	-157.1	147.1	-4	-168.9	73.5	0	0	0	111.9
199	T	27	Very low	30.7	Very low	97 Å²	97	132.9 Å²	132.9	60%	0.595	76%	0.756	S	S	*	*			trans	68.6	107.2	157.8	32.9	0	0	0	0	122	E197	E197-T199 PolarHBondContact OE1-N 3.47Å
200	T	26	Very low	31.1	Very low	123 Å²	123	141.9 Å²	141.9	76%	0.755	77%	0.769	S	S	*	*				45.9	150.1	118.9	60.8	0	0	0	0	123.3
201	E	27.5	Very low	31.4	Very low	168 Å²	168	148.2 Å²	148.2	79%	0.785	78%	0.778	S	S	*	*			cis	-170.7	174.1	-8.9	-109.4	-73.6	33.4	0	0	111.6
202	E	24.9	Very low	31.5	Very low	176 Å²	176	144 Å²	144	82%	0.822	77%	0.772	S	S	*	*			trans	64.3	152.8	165.8	-72.9	-133.8	106.1	0	0	120.5
203	A	27	Very low	31.6	Very low	67 Å²	67	145.5 Å²	145.5	55%	0.554	78%	0.777	S	S	*	*			cis	-170.3	140.2	-28.3	0	0	0	0	0	113.7
204	S	25.1	Very low	31.8	Very low	121 Å²	121	145.7 Å²	145.7	85%	0.846	78%	0.778	S	S	*	*			trans	62.3	167.3	154.1	-68.8	0	0	0	0	121.1
205	P	52.6	Low	31.7	Very low	116 Å²	116	153.1 Å²	153.1	75%	0.753	79%	0.786	S	S	*	*			cis	-123.7	-176	-29.8	40.9	-26	0	0	0	112.2
206	P	48.4	Very low	31.8	Very low	130 Å²	130	153.1 Å²	153.1	84%	0.844	79%	0.787	S	S	*	*				-150.3	173.4	93.3	38.1	-19.7	0	0	0	115.4
207	R	31.3	Very low	32.6	Very low	230 Å²	230	148.9 Å²	148.9	87%	0.868	78%	0.775	S	S	*	*			trans	-156.7	137.2	178.6	-172.5	-177.4	-173	173.7	7.2	114.9	Q209	R207-Q209 HydrophobicContact CG-CG 4.27Å
208	G	29.1	Very low	32.7	Very low	75 Å²	75	148.7 Å²	148.7	77%	0.773	78%	0.775	S	S	*	*			trans	-161.1	67.8	169.3	0	0	0	0	0	113.3
209	Q	34.6	Very low	32.9	Very low	147 Å²	147	149.8 Å²	149.8	69%	0.687	78%	0.776	S	S	*	*				69.8	98.3	99.1	-70.3	-145	70.1	0	0	117.6	R207	R207-Q209 HydrophobicContact CG-CG 4.27Å
210	R	34.1	Very low	33.1	Very low	257 Å²	257	155.8 Å²	155.8	97%	0.97	79%	0.788	S	S	*	*			trans	-133.8	156.3	136.1	-73.8	-165	173.9	-150.7	-1.9	109.4
211	R	34	Very low	33.4	Very low	233 Å²	233	161.1 Å²	161.1	88%	0.879	79%	0.794	S	S	*	*			trans	-126	161.9	-177.6	-90.4	-174.4	160.7	-173.8	-3.1	109.6
212	A	32.2	Very low	33.5	Very low	79 Å²	79	159 Å²	159	65%	0.653	79%	0.793	S	S	*	*			cis	179.9	150.9	-25.3	0	0	0	0	0	109.6
213	R	30	Very low	33.8	Very low	237 Å²	237	162.1 Å²	162.1	89%	0.894	80%	0.797	S	S	*	*			trans	174	120	134.5	-98.6	168.2	-172.2	-155.1	2.1	112.6
214	S	32.2	Very low	33.8	Very low	106 Å²	106	163.4 Å²	163.4	74%	0.741	81%	0.808	S	S	*	*			trans	37.5	141.5	141.2	55.7	0	0	0	0	121.8
215	R	29.6	Very low	34	Very low	249 Å²	249	168.7 Å²	168.7	94%	0.94	81%	0.809	S	S	*	*			cis	-157.8	171.1	7.6	-122.9	172.9	-178.6	175.7	-1.1	110.3
216	S	29.4	Very low	33	Very low	112 Å²	112	169.1 Å²	169.1	78%	0.783	81%	0.81	S	S	*	*			trans	-119.3	-172.7	-167.7	-76.6	0	0	0	0	111.9
217	P	49.3	Very low	32	Very low	102 Å²	102	169.1 Å²	169.1	66%	0.662	80%	0.803	S	S	*	*			cis	-145.6	-172.4	-46.3	40.8	-22.9	0	0	0	115.6
218	E	32.3	Very low	31.9	Very low	167 Å²	167	168 Å²	168	78%	0.78	80%	0.799	S	S	*	*			trans	65	172	141.5	-109.3	60.5	-103.8	0	0	124.7
219	Q	34.6	Very low	31.9	Very low	154 Å²	154	169.3 Å²	169.3	72%	0.72	80%	0.796	S	S	*	*			trans	-110.2	168.6	-153.3	-48.4	173.9	3.3	0	0	116
220	R	31.6	Very low	31.7	Very low	223 Å²	223	173.7 Å²	173.7	84%	0.842	81%	0.806	S	S	*	*			trans	63.9	127.7	150.9	-78.7	178.4	161	-129.6	-0.6	119.7
221	R	31.5	Very low	31.6	Very low	234 Å²	234	166.8 Å²	166.8	88%	0.883	80%	0.797	S	S	*	*				-177.8	133.5	111.5	-98.8	167.7	-167	-145.3	3.7	115.8
222	T	30.6	Very low	32.4	Very low	123 Å²	123	161.1 Å²	161.1	76%	0.755	79%	0.791	S	S	*	*			trans	39.7	123.2	142.5	57.4	0	0	0	0	125.2
223	R	30.1	Very low	32.3	Very low	243 Å²	243	165.3 Å²	165.3	92%	0.917	80%	0.801	S	S	*	*			trans	53.5	113.7	131.8	-86.9	-175.8	170.6	171.7	-2.7	122.7
224	A	28	Very low	32.5	Very low	94 Å²	94	161.3 Å²	161.3	78%	0.777	80%	0.797	S	S	*	*				99.5	146	111.9	0	0	0	0	0	123.2
225	R	28.9	Very low	33.3	Very low	232 Å²	232	161.3 Å²	161.3	88%	0.875	79%	0.794	S	S	*	*			trans	88.6	140.2	155.9	-89.2	-171.9	173.8	-167.7	-1.4	122.3
226	T	31.3	Very low	33.4	Very low	125 Å²	125	155.5 Å²	155.5	77%	0.767	79%	0.786	S	S	*	*			trans	73	104.5	144.4	44.2	0	0	0	0	123.5
227	D	27.7	Very low	33.4	Very low	130 Å²	130	154.9 Å²	154.9	70%	0.695	78%	0.782	S	S	*	*				108.2	144	105.4	-150.7	24.8	0	0	0	122
228	R	27.9	Very low	32.3	Very low	206 Å²	206	159 Å²	159	78%	0.777	79%	0.792	S	S	*	*			trans	30.5	114.3	157.5	-85.1	162.8	-170.2	-165.9	-2.1	124
229	S	30	Very low	32.4	Very low	102 Å²	102	157 Å²	157	71%	0.713	79%	0.791	S	S	*	*				99	160.8	105.7	79.2	0	0	0	0	122.3
230	R	31	Very low	32.9	Very low	239 Å²	239	154.3 Å²	154.3	90%	0.902	79%	0.787	S	S	*	*			trans	86.4	98.5	163.8	-65.1	-175.1	177.2	-148.2	-2.6	120.1
231	S	30.9	Very low	32.9	Very low	113 Å²	113	154.6 Å²	154.6	79%	0.79	79%	0.789	S	S	*	*			trans	-63.4	-175.6	139.2	-21	0	0	0	0	111.2
232	P	50.7	Low	32.9	Very low	114 Å²	114	152.9 Å²	152.9	74%	0.74	78%	0.782	S	S	*	*			cis	-135.3	-170.7	2.5	43.4	-26.6	0	0	0	114.3
233	I	31.7	Very low	32.9	Very low	167 Å²	167	150.1 Å²	150.1	86%	0.856	77%	0.772	S	S	*	*			trans	-158.1	148.7	133.7	-102.3	153.4	0	0	0	108.9
234	N	33.9	Very low	33	Very low	153 Å²	153	144.4 Å²	144.4	82%	0.818	76%	0.755	S	S	*	*			trans	-152.4	153.4	177.2	-147.3	16.3	0	0	0	107.4
235	P	48.2	Very low	33.3	Very low	105 Å²	105	147 Å²	147	68%	0.682	75%	0.751	S	S	*	*			trans	-142.1	138	140.2	32.7	-16.6	0	0	0	115.7
236	V	31.3	Very low	33.4	Very low	127 Å²	127	142 Å²	142	77%	0.77	74%	0.741	S	S	*	*				46.3	102.8	128.8	-173.6	0	0	0	0	116.8
237	S	30.3	Very low	33.5	Very low	99 Å²	99	141.6 Å²	141.6	69%	0.692	74%	0.739	S	S	*	*			cis	80.6	120.7	45.1	84.9	0	0	0	0	116.1
238	E	26.7	Very low	33.6	Very low	189 Å²	189	140.2 Å²	140.2	88%	0.883	74%	0.74	S	S	*	*				-162.6	154.1	128.8	-116.4	175.9	-169.4	0	0	113.9
239	T	32.8	Very low	33.8	Very low	124 Å²	124	135 Å²	135	76%	0.761	73%	0.734	S	S	*	*			trans	-148	167	170.6	69.1	0	0	0	0	105.3
240	P	46.2	Very low	34	Very low	98 Å²	98	138.7 Å²	138.7	64%	0.636	74%	0.741	S	S	*	*				-167.2	175.5	70.6	44.7	-22.4	0	0	0	119.9
241	R	32.1	Very low	33.9	Very low	230 Å²	230	132.1 Å²	132.1	87%	0.868	73%	0.727	S	S	*	*			trans	67.4	157.4	150.5	-72.9	160.9	-171.8	-144	-2.1	117.4
242	R	30.1	Very low	34	Very low	197 Å²	197	133.3 Å²	133.3	74%	0.743	72%	0.724	S	S	*	*			cis	-153.5	-175.4	-2.5	-130.4	-172.2	146.1	-172.9	-5	107.3	H244	R242-H244 PolarHBondContact NE-NE2 3.47Å; R242-H244 PolarHBondContact NH2-CD2 3.14Å; R242-H244 PolarHBondContact NH2-NE2 3.03Å
243	A	30.6	Very low	32.9	Very low	66 Å²	66	133.5 Å²	133.5	55%	0.545	72%	0.719	S	S	.	*			cis	-163.9	122.3	1.4	0	0	0	0	0	112.5
244	H	33.6	Very low	32.8	Very low	123 Å²	123	133.1 Å²	133.1	57%	0.569	71%	0.713	S	S	*	*			trans	56.7	169.9	142.9	-46.7	-64.1	0	0	0	119.2	R242	R242-H244 PolarHBondContact NE-NE2 3.47Å; R242-H244 PolarHBondContact NH2-CD2 3.14Å; R242-H244 PolarHBondContact NH2-NE2 3.03Å
245	H	33.2	Very low	32.4	Very low	149 Å²	149	129.9 Å²	129.9	69%	0.69	70%	0.703	S	S	*	*			cis	-142.3	146.2	13	-99	-63.4	0	0	0	112.9
246	N	31.8	Very low	31.3	Very low	125 Å²	125	129.9 Å²	129.9	67%	0.668	71%	0.705	S	S	*	*				45.5	152.2	127.2	-57.7	23.9	0	0	0	121
247	T	33.8	Very low	31.1	Very low	117 Å²	117	129.5 Å²	129.5	72%	0.718	70%	0.702	S	S	*	*			cis	-160.5	171.5	-0.3	5.5	0	0	0	0	106.8
248	S	28.2	Very low	31	Very low	101 Å²	101	130.8 Å²	130.8	71%	0.706	70%	0.702	S	S	*	*			cis	-141.9	169.4	10.8	-95.3	0	0	0	0	108.4
249	S	33.5	Very low	31	Very low	96 Å²	96	130.1 Å²	130.1	67%	0.671	70%	0.698	S	S	*	*			cis	85.9	91.2	24.5	-50.1	0	0	0	0	116.3
250	Q	34.1	Very low	30.8	Very low	181 Å²	181	128.6 Å²	128.6	85%	0.846	70%	0.699	S	S	*	*				163.4	144.8	116.3	-86.5	-169.5	20.5	0	0	110.3
251	T	29.6	Very low	30	Very low	100 Å²	100	133.6 Å²	133.6	61%	0.613	71%	0.713	S	S	*	*			cis	172	130.4	-32.9	23.3	0	0	0	0	106.5
252	L	31.6	Very low	29.7	Very low	139 Å²	139	126.3 Å²	126.3	73%	0.728	71%	0.71	S	S	*	*			trans	72.1	154	140.4	-58.2	173.8	0	0	0	118.1
253	D	28.7	Very low	29.4	Very low	118 Å²	118	122.1 Å²	122.1	63%	0.631	71%	0.711	S	S	*	*			cis	-139.9	140.3	8.2	-111.9	-23	0	0	0	110.4
254	H	28.8	Very low	29.3	Very low	159 Å²	159	123.4 Å²	123.4	74%	0.736	72%	0.716	S	S	*	*				62.5	140.6	95.5	-79.9	-29.2	0	0	0	116.3
255	S	24.7	Very low	29.1	Very low	85 Å²	85	128.1 Å²	128.1	59%	0.594	73%	0.729	S	S	*	*			cis	-167.6	148.5	-1.2	-121.9	0	0	0	0	114.5
256	S	26.7	Very low	28.9	Very low	104 Å²	104	127.4 Å²	127.4	73%	0.727	74%	0.735	S	S	*	*			trans	48.7	166.3	143.2	65.6	0	0	0	0	120.7
257	V	27	Very low	28.7	Very low	119 Å²	119	130.9 Å²	130.9	72%	0.721	74%	0.739	S	S	*	*			cis	-145.7	150.8	25.6	176.3	0	0	0	0	112.4
258	N	27.1	Very low	28.3	Very low	127 Å²	127	131.8 Å²	131.8	68%	0.679	74%	0.735	S	S	*	*			trans	-8.6	163.3	158	-47.8	14.5	0	0	0	120.8
259	E	28	Very low	28.3	Very low	174 Å²	174	135.2 Å²	135.2	81%	0.813	74%	0.739	S	S	*	*			cis	-134.5	-130.3	9.9	-141.2	142.8	-95.4	0	0	111.8
260	A	28.5	Very low	28	Very low	93 Å²	93	137.4 Å²	137.4	77%	0.769	75%	0.748	S	S	*	*			cis	-153.3	-139.4	5	0	0	0	0	0	111.2
261	E	28	Very low	27.8	Very low	202 Å²	202	134.9 Å²	134.9	94%	0.944	75%	0.745	S	S	*	*			trans	-121.5	165	-171.9	-55.3	177.8	101.8	0	0	113.2
262	G	25.4	Very low	27.7	Very low	77 Å²	77	138.5 Å²	138.5	79%	0.794	76%	0.76	S	S	*	*			trans	-177	25	-179.4	0	0	0	0	0	124.7
263	S	25	Very low	27.5	Very low	110 Å²	110	141.9 Å²	141.9	77%	0.769	76%	0.763	S	S	*	*			trans	34	121.8	153.7	-157	0	0	0	0	123.8
264	S	27.8	Very low	27.6	Very low	93 Å²	93	144.7 Å²	144.7	65%	0.65	77%	0.773	S	S	*	*			trans	66.7	115.2	132.1	-57.7	0	0	0	0	124.7
265	R	30.8	Very low	27.6	Very low	221 Å²	221	144 Å²	144	83%	0.834	77%	0.77	S	S	*	*				67.9	148.2	125.7	-71.3	178.9	162.4	163.2	-3.7	121.8
266	T	28.3	Very low	27.8	Very low	134 Å²	134	145.5 Å²	145.5	82%	0.822	78%	0.775	S	S	*	*			trans	66.8	154.6	154.6	43.7	0	0	0	0	117.6
267	R	27.5	Very low	27.9	Very low	198 Å²	198	147.5 Å²	147.5	75%	0.747	78%	0.783	S	S	*	*			cis	-173	133.4	-18.3	163.8	-178	160.7	176.4	-5	110.4
268	Q	26.1	Very low	27.8	Very low	136 Å²	136	145 Å²	145	64%	0.636	78%	0.781	S	S	*	*			trans	65.4	138.4	160.5	-71.1	173.8	-33.9	0	0	120.6
269	H	27.3	Very low	27.9	Very low	173 Å²	173	145.3 Å²	145.3	80%	0.801	79%	0.788	S	S	*	*			trans	16.7	140.4	137.8	-60.7	-110.4	0	0	0	120.8
270	V	27.7	Very low	27.9	Very low	142 Å²	142	145.6 Å²	145.6	86%	0.861	79%	0.789	S	S	*	*				-165.4	162.5	102.6	140.8	0	0	0	0	111.2
271	T	29.8	Very low	28	Very low	128 Å²	128	148.9 Å²	148.9	79%	0.785	79%	0.79	S	S	*	*			trans	-79.8	160.1	-177	50.7	0	0	0	0	115
272	L	26.6	Very low	28.4	Very low	176 Å²	176	145 Å²	145	92%	0.921	78%	0.783	S	S	*	*			trans	-142.1	148.3	150.6	-163.3	63.1	0	0	0	111.4
273	R	28.4	Very low	28.6	Very low	211 Å²	211	145.7 Å²	145.7	80%	0.796	78%	0.775	S	S	*	*			trans	-158.3	112.6	-176.2	178.2	-171.7	-179.2	-174.5	2.6	111.7
274	Q	30.2	Very low	28.9	Very low	177 Å²	177	147.5 Å²	147.5	83%	0.827	77%	0.772	S	S	*	*			trans	-167.8	137.2	160.5	-99.1	149.5	17.6	0	0	107
275	H	29.7	Very low	29	Very low	145 Å²	145	149.6 Å²	149.6	67%	0.671	78%	0.775	S	S	*	*				66.5	131.5	59.9	-64.4	-73.9	0	0	0	111.7
276	T	28.4	Very low	28.9	Very low	116 Å²	116	143.1 Å²	143.1	71%	0.712	77%	0.77	S	S	*	*			cis	-168.4	157.5	8.9	4.9	0	0	0	0	114
277	V	28	Very low	28.8	Very low	146 Å²	146	143.1 Å²	143.1	89%	0.885	77%	0.769	S	S	*	*			trans	69	138.3	148.6	172.7	0	0	0	0	121.1
278	G	25.4	Very low	28.8	Very low	67 Å²	67	140.2 Å²	140.2	69%	0.691	77%	0.768	S	S	*	*			trans	168.8	136.7	165.5	0	0	0	0	0	113.4
279	T	28.4	Very low	28.8	Very low	132 Å²	132	142.3 Å²	142.3	81%	0.81	78%	0.775	S	S	*	*			trans	-158.1	176.7	-168.4	42.5	0	0	0	0	110.7
280	E	28.2	Very low	28.6	Very low	181 Å²	181	139.2 Å²	139.2	85%	0.846	77%	0.773	S	S	*	*			cis	-128.6	-101.1	9.7	-68.6	177.3	-167.2	0	0	114.1
281	M	31	Very low	28.4	Very low	162 Å²	162	138.8 Å²	138.8	80%	0.798	77%	0.77	S	S	*	*			trans	-143.8	165.4	-165.2	-74.3	-73.6	-65.4	0	0	111.2
282	P	37.3	Very low	29.2	Very low	121 Å²	121	138 Å²	138	79%	0.786	77%	0.767	S	S	*	*				-147.9	-164.4	95.5	37.7	-17.5	0	0	0	115.3
283	S	28.8	Very low	29.1	Very low	91 Å²	91	137.2 Å²	137.2	64%	0.636	76%	0.759	S	S	*	*			trans	-98.4	-166.5	-166.2	53.7	0	0	0	0	114.7
284	E	31.6	Very low	28.9	Very low	147 Å²	147	132.6 Å²	132.6	69%	0.687	76%	0.755	S	S	*	*			cis	-172.5	175.4	18.4	-147.5	162	-83.3	0	0	115.1
285	N	29.4	Very low	28.8	Very low	137 Å²	137	133.6 Å²	133.6	73%	0.733	75%	0.751	S	S	*	*			trans	65.8	135.8	157.4	-65.6	-52	0	0	0	120.3
286	A	28.2	Very low	29.1	Very low	86 Å²	86	132.5 Å²	132.5	71%	0.711	76%	0.756	S	S	*	*			cis	-148.2	-139.7	-8	0	0	0	0	0	110.6
287	V	26.7	Very low	29.3	Very low	134 Å²	134	131.5 Å²	131.5	81%	0.812	75%	0.75	S	S	*	*			cis	-146.8	-111.4	19.2	-158.8	0	0	0	0	113.8
288	L	28.2	Very low	30	Very low	137 Å²	137	130 Å²	130	72%	0.717	74%	0.744	S	S	*	*			trans	-144.9	164.3	-172.1	-62.7	166.4	0	0	0	110.1
289	F	25.2	Very low	30.1	Very low	180 Å²	180	135.6 Å²	135.6	79%	0.789	75%	0.752	S	S	*	*			cis	-166.8	157	39.6	-118.1	-67.2	0	0	0	113.9
290	S	23.9	Very low	30.3	Very low	108 Å²	108	133.9 Å²	133.9	76%	0.755	75%	0.751	S	S	*	*			trans	73.4	154.5	151.2	-64.3	0	0	0	0	123.5
291	T	23	Very low	30.3	Very low	132 Å²	132	132.5 Å²	132.5	81%	0.81	76%	0.755	S	S	*	*			trans	-138.9	-169.6	-171.3	59.1	0	0	0	0	109.3
292	P	45.8	Very low	30	Very low	111 Å²	111	128.5 Å²	128.5	72%	0.721	76%	0.755	S	S	*	*			cis	-119.4	-161.5	-8.4	40.7	-21.2	0	0	0	111.3
293	E	25.2	Very low	29.4	Very low	161 Å²	161	128.7 Å²	128.7	75%	0.752	76%	0.759	S	S	*	*			cis	-158.6	-170.6	20.5	-141.7	-163.7	55.9	0	0	107.3
294	T	25.4	Very low	29.6	Very low	114 Å²	114	129.7 Å²	129.7	70%	0.699	77%	0.766	S	S	*	*			cis	-148.4	178.4	8.6	-40.4	0	0	0	0	109.9
295	R	28.1	Very low	29.4	Very low	198 Å²	198	132 Å²	132	75%	0.747	78%	0.777	S	S	*	*			trans	-144	166.2	170.4	-148.1	-169.8	177.6	-178.3	0.3	108.8
296	P	35.2	Very low	29.6	Very low	121 Å²	121	131 Å²	131	79%	0.786	78%	0.776	S	S	*	*				-148.4	173.9	87.1	36.5	-17.5	0	0	0	115.3
297	V	33.3	Very low	29.7	Very low	95 Å²	95	134.7 Å²	134.7	58%	0.576	78%	0.784	S	S	*	*			trans	-142.2	144.3	170.4	174	0	0	0	0	107
298	P	40.8	Very low	29.7	Very low	116 Å²	116	131.9 Å²	131.9	75%	0.753	78%	0.782	S	S	*	*			trans	-130	129.5	132.2	34.2	-24.1	0	0	0	110.4
299	Q	28	Very low	30	Very low	184 Å²	184	131.6 Å²	131.6	86%	0.86	79%	0.791	S	S	*	*				75.3	105.4	65	-89.3	-169	-29.1	0	0	115.6
300	A	33.3	Very low	30.4	Very low	96 Å²	96	128.4 Å²	128.4	79%	0.793	79%	0.791	S	S	*	*			trans	-1	138.1	155.5	0	0	0	0	0	121.3
301	T	27.1	Very low	30.7	Very low	152 Å²	152	132.8 Å²	132.8	93%	0.933	80%	0.8	S	S	*	*			trans	-154.4	162.8	132.2	4.2	0	0	0	0	107.7
302	G	25.1	Very low	31	Very low	77 Å²	77	131.6 Å²	131.6	79%	0.794	80%	0.797	S	S	*	*			trans	-134.5	151.3	-174.5	0	0	0	0	0	113.2
303	S	26.1	Very low	30.3	Very low	125 Å²	125	131.2 Å²	131.2	87%	0.874	80%	0.803	S	S	*	*			trans	-164.9	150.2	166.5	45	0	0	0	0	109.2
304	S	32.6	Very low	30.7	Very low	113 Å²	113	129.4 Å²	129.4	79%	0.79	80%	0.803	S	S	*	*			trans	-74.5	149.2	172	-50.9	0	0	0	0	110.8
305	E	26.9	Very low	31	Very low	196 Å²	196	130.1 Å²	130.1	92%	0.916	81%	0.81	S	S	*	*				-170.2	174.1	126.3	-108.3	169.8	-158.4	0	0	112
306	T	34.1	Very low	31.4	Very low	115 Å²	115	124.3 Å²	124.3	71%	0.706	81%	0.812	S	S	*	*			trans	-95.2	149.9	-164.2	50	0	0	0	0	113.8
307	N	29.4	Very low	31.3	Very low	164 Å²	164	127.8 Å²	127.8	88%	0.877	82%	0.817	S	S	*	*			trans	151	160	132.2	-80.1	-49	0	0	0	112.9
308	G	26.2	Very low	31.2	Very low	75 Å²	75	134.2 Å²	134.2	77%	0.773	83%	0.831	S	S	*	*			trans	110.1	98.2	152	0	0	0	0	0	116.5
309	S	35.8	Very low	30.6	Very low	130 Å²	130	133.8 Å²	133.8	91%	0.909	83%	0.829	S	S	*	*			trans	-64.4	132.6	176.7	-45.7	0	0	0	0	114.4
310	S	32.3	Very low	30.8	Very low	113 Å²	113	128 Å²	128	79%	0.79	81%	0.807	S	S	*	*			trans	-162	76.4	150.1	65.8	0	0	0	0	112.7	S312	S310-S312 PolarHBondContact O-N 3.1Å; S310-S312 VanDerWaalsContact O-N 3.12Å
311	E	30.6	Very low	30.8	Very low	201 Å²	201	129.4 Å²	129.4	94%	0.939	81%	0.806	S	S	*	*			trans	-73.7	101.6	169.2	-73.7	-163.7	119	0	0	110.8	A313	E311-A313 PolarHBondContact O-N 3.35Å
312	S	29.1	Very low	31.4	Very low	107 Å²	107	125.1 Å²	125.1	75%	0.748	78%	0.776	S	S	*	*			trans	-74.3	100.9	171	57.7	0	0	0	0	110.2	S310 T314	S310-S312 PolarHBondContact O-N 3.1Å; S310-S312 VanDerWaalsContact O-N 3.12Å; S312-T314 PolarHBondContact O-N 3.33Å
313	A	31.6	Very low	31.9	Very low	103 Å²	103	127.2 Å²	127.2	85%	0.851	77%	0.774	S	S	*	*	P	Polyproline II helix	trans	-55.6	121.7	179.3	0	0	0	0	0	112.2	E311	E311-A313 PolarHBondContact O-N 3.35Å
314	T	32.9	Very low	32.3	Very low	123 Å²	123	124.7 Å²	124.7	76%	0.755	75%	0.75	S	S	*	*	P	Polyproline II helix	trans	-85.4	147.7	173.6	51.5	0	0	0	0	110.8	S312 G316	S312-T314 PolarHBondContact O-N 3.33Å; T314-G316 PolarHBondContact O-N 3.14Å
315	P	33.3	Very low	32.5	Very low	129 Å²	129	122 Å²	122	84%	0.838	73%	0.727	S	S	*	*	P	Polyproline II helix	trans	-71.5	122.8	-170.6	27.3	-34.2	0	0	0	111.8	Q317	P315-Q317 PolarHBondContact O-N 2.85Å
316	G	35.2	Very low	33.2	Very low	76 Å²	76	116.1 Å²	116.1	78%	0.784	70%	0.701	S	S	*	*	P	Polyproline II helix	trans	-57.8	125.3	-164.5	0	0	0	0	0	115.9	T314	T314-G316 PolarHBondContact O-N 3.14Å
317	Q	32.8	Very low	33.7	Very low	194 Å²	194	115 Å²	115	91%	0.907	69%	0.688	S	S	*	*	P	Polyproline II helix	trans	-64.4	132.3	156.5	-71.5	-172.3	-8.4	0	0	109.3	P315	P315-Q317 PolarHBondContact O-N 2.85Å
318	R	32.7	Very low	34.5	Very low	230 Å²	230	109.5 Å²	109.5	87%	0.868	66%	0.66	S	S	*	*	P	Polyproline II helix	trans	-73	139.4	167.7	-66.4	178.3	178.5	169.1	-0.6	108.8
319	P	28.1	Very low	35.3	Very low	107 Å²	107	109.7 Å²	109.7	70%	0.695	64%	0.638	S	S	*	*	P	Polyproline II helix	trans	-60.3	142	175.7	25.7	-34.1	0	0	0	110.6	T321	P319-T321 PolarHBondContact O-N 3.42Å; P319-T321 VanDerWaalsContact O-N 3.12Å
320	P	32.3	Very low	35.8	Very low	62 Å²	62	110.1 Å²	110.1	40%	0.403	62%	0.619	S	S	.	*			trans	-72.4	107.1	-173.7	28.6	-34.7	0	0	0	111.3	I322 T395 L397	P320-I322 PolarHBondContact O-N 3.1Å; P320-I322 VanDerWaalsContact O-N 3.09Å; P320-T395 HydrophobicContact CB-CG2 4.39Å; P320-T395 HydrophobicContact CG-CG2 4.3Å; P320-L397 HydrophobicContact CG-CD2 3.78Å
321	T	33.5	Very low	36.5	Very low	126 Å²	126	106.1 Å²	106.1	77%	0.773	59%	0.59	S	S	*	*			trans	-67	107	176.1	46	0	0	0	0	111.5	P319 V323	P319-T321 PolarHBondContact O-N 3.42Å; P319-T321 VanDerWaalsContact O-N 3.12Å; T321-V323 PolarHBondContact O-N 2.92Å
322	I	38.3	Very low	37	Very low	61 Å²	61	104.9 Å²	104.9	31%	0.313	58%	0.577	S	S	.	*			trans	-74.9	104.5	172	-59.6	176.6	0	0	0	108.4	P320 L324 I392 I405	P320-I322 PolarHBondContact O-N 3.1Å; P320-I322 VanDerWaalsContact O-N 3.09Å; I322-L324 HydrophobicContact CG2-CD2 4.28Å; I322-L324 PolarHBondContact O-N 3.38Å; I322-I392 HydrophobicContact CD1-CD1 4.27Å; I322-I392 HydrophobicContact CD1-CG1 4Å; I322-I405 HydrophobicContact CD1-CD1 3.63Å
323	V	35.4	Very low	37.4	Very low	122 Å²	122	103.8 Å²	103.8	74%	0.739	57%	0.567	S	S	*	*			trans	-75.6	114.8	175.2	-176.6	0	0	0	0	109.5	T321	T321-V323 PolarHBondContact O-N 2.92Å
324	L	35.7	Very low	38.1	Very low	71 Å²	71	102.7 Å²	102.7	37%	0.372	57%	0.566	S	S	.	*			trans	-89.5	115.2	174.3	-62.5	173.3	0	0	0	110.1	I322 L326 I385 I387 M408	I322-L324 HydrophobicContact CG2-CD2 4.28Å; I322-L324 PolarHBondContact O-N 3.38Å; L324-L326 HydrophobicContact CB-CD1 3.73Å; L324-L326 PolarHBondContact O-N 2.86Å; L324-L326 VanDerWaalsContact O-N 3.13Å; L324-I385 HydrophobicContact CD2-CG2 4.07Å; L324-I387 HydrophobicContact CD2-CD1 4.38Å; L324-I387 HydrophobicContact CD2-CG1 4.03Å; L324-M408 HydrophobicContact CD1-SD 4.37Å
325	D	37.3	Very low	38.6	Very low	57 Å²	57	102 Å²	102	31%	0.305	55%	0.554	S	S	.	*			trans	-74.9	91	172.1	176.7	30.2	0	0	0	109.4	Q327 I385 R386	D325-Q327 WeakPolarHBondContact OD1-CG 3.27Å; D325-Q327 PolarHBondContact OD1-NE2 2.83Å; D325-Q327 PolarHBondContact OD2-NE2 3.01Å; D325-I385 WeakPolarHBondContact O-CA 3.44Å; D325-R386 IonicContact OD2-CZ 3.22Å; D325-R386 IonicContact OD2-NH1 3.51Å; D325-R386 PolarHBondContact OD2-NH1 3.04Å
326	L	40	Very low	39.1	Very low	73 Å²	73	100.9 Å²	100.9	38%	0.382	53%	0.534	S	S	.	.			trans	-97.1	115.7	174.5	-97.7	72.5	0	0	0	110.4	L324 I385	L324-L326 HydrophobicContact CB-CD1 3.73Å; L324-L326 PolarHBondContact O-N 2.86Å; L324-L326 VanDerWaalsContact O-N 3.13Å; L326-I385 HydrophobicContact CD1-CB 4.48Å; L326-I385 HydrophobicContact CD1-CD1 4.25Å; L326-I385 HydrophobicContact CD1-CG1 3.84Å; L326-I385 HydrophobicContact CD1-CG2 4.21Å; L326-I385 HydrophobicContact CG-CG1 4.15Å
327	Q	44.7	Very low	39.7	Very low	90 Å²	90	104.8 Å²	104.8	42%	0.421	53%	0.525	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	88	-179.7	-54.1	-172.4	2.4	0	0	110.8	D325 S383	D325-Q327 WeakPolarHBondContact OD1-CG 3.27Å; D325-Q327 PolarHBondContact OD1-NE2 2.83Å; D325-Q327 PolarHBondContact OD2-NE2 3.01Å; Q327-S383 WeakPolarHBondContact CB-O 3.49Å; Q327-S383 PolarHBondContact N-O 3.42Å; Q327-S383 PolarHBondContact O-N 3.34Å; Q327-S383 PolarHBondContact O-OG 3.46Å
328	V	45.9	Very low	40.1	Very low	50 Å²	50	102 Å²	102	30%	0.303	51%	0.512	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	133.6	173.9	-175	0	0	0	0	109.9	V382 L502 F506	V328-V382 HydrophobicContact CG1-CG2 4.32Å; V328-V382 HydrophobicContact CG2-CG1 4.33Å; V328-V382 HydrophobicContact CG2-CG2 4.33Å; V328-L502 HydrophobicContact CG2-CD2 4.3Å; V328-F506 HydrophobicContact CB-CE2 4.34Å; V328-F506 HydrophobicContact CG1-CD2 4.22Å; V328-F506 HydrophobicContact CG1-CE2 3.81Å; V328-F506 HydrophobicContact CG1-CZ 4.45Å
329	R	44.6	Very low	40.4	Very low	79 Å²	79	102.2 Å²	102.2	30%	0.298	51%	0.513	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	125	178.9	61.6	-169	170.5	81	-1.4	112.1	Y381 S383	R329-Y381 PolarHBondContact N-O 3.08Å; R329-Y381 PolarHBondContact O-N 3.34Å; R329-S383 PolarHBondContact NE-OG 3.24Å
330	R	44.9	Very low	41	Very low	138 Å²	138	101 Å²	101	52%	0.521	50%	0.5	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	113.4	172.3	-157.4	-178.8	-166.3	-164.6	8.5	108.1	V378 E510	R330-V378 HydrophobicContact CG-CG1 3.91Å; R330-E510 IonicContact NH2-OE1 3.09Å; R330-E510 PolarHBondContact NH2-OE1 3Å; R330-E510 VanDerWaalsContact NH2-OE1 3.07Å
331	V	47.2	Very low	41.6	Very low	30 Å²	30	99 Å²	99	18%	0.182	49%	0.488	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	118.8	178.5	173.5	0	0	0	0	109.1	E335 R379 Y381	V331-E335 HydrophobicContact CG1-CB 4.48Å; V331-R379 WeakPolarHBondContact CA-O 3.44Å; V331-R379 PolarHBondContact N-O 2.78Å; V331-R379 PolarHBondContact O-N 3.41Å; V331-Y381 HydrophobicContact CB-CD2 3.91Å; V331-Y381 HydrophobicContact CB-CE2 3.86Å; V331-Y381 HydrophobicContact CG1-CE2 4.4Å; V331-Y381 HydrophobicContact CG2-CD2 3.52Å; V331-Y381 HydrophobicContact CG2-CE2 3.82Å
332	R	41.2	Very low	42.1	Very low	175 Å²	175	96.6 Å²	96.6	66%	0.66	47%	0.47	S	S	*	.	P	Polyproline II helix	trans	-78.4	150.4	177	-66.9	-179.6	171.4	120.5	-11.3	110.7	G334 E335	R332-G334 PolarHBondContact O-N 3.08Å; R332-E335 PolarHBondContact O-N 3.04Å
333	P	37.5	Very low	42.3	Very low	83 Å²	83	95.1 Å²	95.1	54%	0.539	47%	0.467	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.8	130.5	171.9	-26.8	34.9	0	0	0	111.7
334	G	47.3	Very low	42.5	Very low	80 Å²	80	93.2 Å²	93.2	83%	0.825	45%	0.452	S	S	*	.	T	Hydrogen-bonded Turn	trans	98.7	-22.3	-178.8	0	0	0	0	0	115.8	R332 Y336	R332-G334 PolarHBondContact O-N 3.08Å; G334-Y336 PolarHBondContact O-N 3.27Å
335	E	43.9	Very low	42.6	Very low	109 Å²	109	100.8 Å²	100.8	51%	0.509	48%	0.476	S	S	.	.			trans	-80.2	52.1	-179	-154.5	-171.4	171.9	0	0	113.5	V331 R332 R337	V331-E335 HydrophobicContact CG1-CB 4.48Å; R332-E335 PolarHBondContact O-N 3.04Å; E335-R337 PolarHBondContact O-N 2.8Å; E335-R337 VanDerWaalsContact O-N 3.1Å; E335-R337 IonicContact OE1-NH1 3.73Å; E335-R337 PolarHBondContact OE1-NH1 2.77Å
336	Y	43.3	Very low	42.7	Very low	105 Å²	105	100.4 Å²	100.4	41%	0.412	48%	0.476	S	S	.	.			trans	-86.8	80.9	-172.4	-165.4	-96.8	0	0	0	113.3	G334 Q338 S341 N344	G334-Y336 PolarHBondContact O-N 3.27Å; Y336-Q338 PolarHBondContact O-N 2.81Å; Y336-S341 WeakPolarHBondContact CE2-OG 3.33Å; Y336-S341 VanDerWaalsContact CZ-OG 3.27Å; Y336-S341 PolarHBondContact OH-OG 3.42Å; Y336-N344 VanDerWaalsContact OH-CG 3.29Å; Y336-N344 PolarHBondContact OH-ND2 2.95Å; Y336-N344 PolarHBondContact OH-OD1 2.84Å
337	R	46.7	Very low	42.7	Very low	159 Å²	159	105.9 Å²	105.9	60%	0.6	49%	0.491	S	S	*	.			trans	-79.8	118.4	168	-78.8	-171.4	170.8	93	1	111.5	E335 R339 D340	E335-R337 PolarHBondContact O-N 2.8Å; E335-R337 VanDerWaalsContact O-N 3.1Å; E335-R337 IonicContact OE1-NH1 3.73Å; E335-R337 PolarHBondContact OE1-NH1 2.77Å; R337-R339 PolarHBondContact O-N 3.33Å; R337-D340 WeakPolarHBondContact CB-OD2 3.29Å; R337-D340 PolarHBondContact O-N 3.28Å; R337-D340 VanDerWaalsContact O-N 3.11Å
338	Q	41.7	Very low	42	Very low	136 Å²	136	106.6 Å²	106.6	64%	0.636	51%	0.506	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.8	-9.3	-172.4	-163.1	173.8	0.3	0	0	114.8	Y336	Y336-Q338 PolarHBondContact O-N 2.81Å
339	R	40	Very low	41.5	Very low	233 Å²	233	115.9 Å²	115.9	88%	0.879	54%	0.536	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.2	-28.4	174.6	-72.6	-176.8	177.3	166.6	0.4	113.3	R337	R337-R339 PolarHBondContact O-N 3.33Å
340	D	39.8	Very low	40.7	Very low	81 Å²	81	117.2 Å²	117.2	43%	0.433	56%	0.557	S	S	.	*	T	Hydrogen-bonded Turn	trans	-95.2	-5.6	-166.7	-47.8	-53.9	0	0	0	112.1	R337 I342	R337-D340 WeakPolarHBondContact CB-OD2 3.29Å; R337-D340 PolarHBondContact O-N 3.28Å; R337-D340 VanDerWaalsContact O-N 3.11Å; D340-I342 PolarHBondContact O-N 2.9Å; D340-I342 VanDerWaalsContact O-N 3.16Å
341	S	45.7	Very low	40.1	Very low	22 Å²	22	119.8 Å²	119.8	15%	0.154	58%	0.575	C	S	.	*			trans	-81.3	79.2	173.6	-66.1	0	0	0	0	112.1	Y336 A343 N344	Y336-S341 WeakPolarHBondContact CE2-OG 3.33Å; Y336-S341 VanDerWaalsContact CZ-OG 3.27Å; Y336-S341 PolarHBondContact OH-OG 3.42Å; S341-A343 PolarHBondContact O-N 3.38Å; S341-N344 PolarHBondContact O-N 3.32Å; S341-N344 VanDerWaalsContact O-N 3.08Å
342	I	43.4	Very low	39.4	Very low	75 Å²	75	124.5 Å²	124.5	39%	0.385	60%	0.604	S	S	.	*	G	3₁₀ helix	trans	-54.3	-34.7	171.9	-61.5	177.3	0	0	0	110.8	D340 N344 R345 T384	D340-I342 PolarHBondContact O-N 2.9Å; D340-I342 VanDerWaalsContact O-N 3.16Å; I342-N344 VanDerWaalsContact C-N 3.29Å; I342-N344 PolarHBondContact O-N 3.18Å; I342-R345 PolarHBondContact O-N 3.07Å; I342-R345 VanDerWaalsContact O-N 3.14Å; I342-T384 HydrophobicContact CD1-CG2 4.38Å
343	A	42.9	Very low	39.2	Very low	30 Å²	30	121 Å²	121	25%	0.248	60%	0.604	C	S	.	*	G	3₁₀ helix	trans	-54	-37.8	175.6	0	0	0	0	0	114.1	S341 R345 T346 R347	S341-A343 PolarHBondContact O-N 3.38Å; A343-R345 VanDerWaalsContact C-N 3.27Å; A343-R345 PolarHBondContact O-N 3.3Å; A343-T346 WeakPolarHBondContact O-CA 3.26Å; A343-T346 PolarHBondContact O-N 3.08Å; A343-T346 PolarHBondContact O-OG1 3.14Å; A343-R347 PolarHBondContact O-N 3.28Å
344	N	38.3	Very low	39.1	Very low	82 Å²	82	124 Å²	124	44%	0.439	62%	0.616	S	S	.	*	G	3₁₀ helix	trans	-67.4	-25.6	-179.3	-80.3	19.7	0	0	0	113.2	Y336 S341 I342 T346	Y336-N344 VanDerWaalsContact OH-CG 3.29Å; Y336-N344 PolarHBondContact OH-ND2 2.95Å; Y336-N344 PolarHBondContact OH-OD1 2.84Å; S341-N344 PolarHBondContact O-N 3.32Å; S341-N344 VanDerWaalsContact O-N 3.08Å; I342-N344 VanDerWaalsContact C-N 3.29Å; I342-N344 PolarHBondContact O-N 3.18Å; N344-T346 PolarHBondContact O-N 2.77Å
345	R	38.2	Very low	38.5	Very low	230 Å²	230	124.8 Å²	124.8	87%	0.868	60%	0.601	S	S	*	*	G	3₁₀ helix	trans	-74.5	-7	171.3	-89	-173.2	169.7	123.1	-5.7	113.5	I342 A343	I342-R345 PolarHBondContact O-N 3.07Å; I342-R345 VanDerWaalsContact O-N 3.14Å; A343-R345 VanDerWaalsContact C-N 3.27Å; A343-R345 PolarHBondContact O-N 3.3Å
346	T	40.2	Very low	38	Very low	48 Å²	48	122.9 Å²	122.9	29%	0.294	60%	0.597	S	S	.	*	T	Hydrogen-bonded Turn	trans	-111.5	-10.8	174.8	44.8	0	0	0	0	114.6	R123 R127 A343 N344 S348	R123-T346 PolarHBondContact NH2-OG1 3.41Å; R123-T346 VanDerWaalsContact NH2-OG1 3.08Å; R127-T346 VanDerWaalsContact NH2-CG2 3.29Å; A343-T346 WeakPolarHBondContact O-CA 3.26Å; A343-T346 PolarHBondContact O-N 3.08Å; A343-T346 PolarHBondContact O-OG1 3.14Å; N344-T346 PolarHBondContact O-N 2.77Å; T346-S348 VanDerWaalsContact C-N 3.3Å; T346-S348 PolarHBondContact O-N 3.26Å
347	R	38.8	Very low	37.8	Very low	188 Å²	188	122.1 Å²	122.1	71%	0.709	60%	0.603	S	S	*	*			trans	-84.2	70.3	-179.5	-159	-179.6	-170.5	-147.6	2.1	112.4	A343	A343-R347 PolarHBondContact O-N 3.28Å
348	S	29.8	Very low	37.2	Very low	105 Å²	105	118 Å²	118	73%	0.734	60%	0.595	S	S	*	*			trans	-133.9	137.6	163.1	-174.4	0	0	0	0	108.8	T346	T346-S348 VanDerWaalsContact C-N 3.3Å; T346-S348 PolarHBondContact O-N 3.26Å
349	R	35.4	Very low	37	Very low	245 Å²	245	121 Å²	121	93%	0.925	60%	0.602	S	S	*	*	S	Bend	trans	61.1	73.5	-175	-70.6	-178.5	153	-117.3	-2.1	117.2
350	S	27.8	Very low	36.7	Very low	108 Å²	108	115.7 Å²	115.7	76%	0.755	59%	0.588	S	S	*	*			trans	-166	122	136.6	57.9	0	0	0	0	108.6
351	Q	33.3	Very low	36.5	Very low	192 Å²	192	116.4 Å²	116.4	90%	0.897	60%	0.599	S	S	*	*			trans	-127.7	99.8	-168	-170.2	171.5	4.6	0	0	111.1
352	T	32.8	Very low	36.2	Very low	129 Å²	129	124.9 Å²	124.9	79%	0.791	64%	0.636	S	S	*	*			trans	-110	116.8	171.5	46.5	0	0	0	0	108.5	N354	T352-N354 PolarHBondContact O-N 2.84Å
353	P	37.2	Very low	36	Very low	102 Å²	102	132.1 Å²	132.1	66%	0.662	66%	0.659	S	S	*	*			trans	-80.6	-7.8	-160.8	24.4	-29.1	0	0	0	116.8	N355	P353-N355 PolarHBondContact O-N 3.05Å
354	N	35.3	Very low	36	Very low	146 Å²	146	135 Å²	135	78%	0.781	69%	0.692	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.6	44.7	-156.7	-63.7	2.4	0	0	0	116.7	T352	T352-N354 PolarHBondContact O-N 2.84Å
355	N	34.4	Very low	35.6	Very low	95 Å²	95	133.9 Å²	133.9	51%	0.508	70%	0.699	S	S	.	*	T	Hydrogen-bonded Turn	trans	-163.7	25.1	163.1	-133.4	-42.6	0	0	0	115.9	P353 R372	P353-N355 PolarHBondContact O-N 3.05Å; N355-R372 WeakPolarHBondContact OD1-CD 3.47Å; N355-R372 WeakPolarHBondContact OD1-CG 3.42Å
356	T	34	Very low	35.2	Very low	69 Å²	69	132.1 Å²	132.1	42%	0.423	70%	0.698	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-103.5	122.7	-172.1	-64.5	0	0	0	0	112.1	T369	T356-T369 VanDerWaalsContact CG2-CB 3.47Å; T356-T369 HydrophobicContact CG2-CG2 3.43Å; T356-T369 VanDerWaalsContact CG2-CG2 3.43Å
357	V	39.1	Very low	34.8	Very low	89 Å²	89	138.4 Å²	138.4	54%	0.539	72%	0.716	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-96.2	127.9	164.1	-178.8	0	0	0	0	108.7
358	T	32.4	Very low	34.7	Very low	72 Å²	72	135.3 Å²	135.3	44%	0.442	71%	0.705	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-100.8	131.3	176.1	-40.3	0	0	0	0	108.5
359	Y	38.2	Very low	34.8	Very low	200 Å²	200	133.8 Å²	133.8	78%	0.784	69%	0.691	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-112.7	130.9	170.8	-135.3	-83.1	0	0	0	108.8
360	E	32.9	Very low	34.7	Very low	121 Å²	121	127.8 Å²	127.8	57%	0.565	67%	0.672	S	S	*	*			trans	-99.6	144.7	171.1	-56.9	-148.2	104.4	0	0	109.7	R367	E360-R367 VanDerWaalsContact CD-NH2 3.31Å; E360-R367 IonicContact OE1-CZ 3.8Å; E360-R367 IonicContact OE1-NE 3.12Å; E360-R367 PolarHBondContact OE1-NE 3.08Å; E360-R367 IonicContact OE1-NH2 3.42Å; E360-R367 PolarHBondContact OE1-NH2 3.22Å; E360-R367 IonicContact OE2-NH2 3.82Å; E360-R367 PolarHBondContact OE2-NH2 3.02Å
361	S	36.8	Very low	35.2	Very low	96 Å²	96	124.8 Å²	124.8	67%	0.671	65%	0.651	S	S	*	*			trans	-120.9	128.1	176.7	-173.5	0	0	0	0	108	R363	S361-R363 PolarHBondContact O-N 3.03Å
362	E	39.8	Very low	35.2	Very low	201 Å²	201	125.2 Å²	125.2	94%	0.939	64%	0.644	S	S	*	*	S	Bend	trans	-68.3	11.2	-166.7	-56.6	-179.4	153	0	0	115.1
363	R	38.8	Very low	35.5	Very low	227 Å²	227	122.7 Å²	122.7	86%	0.857	63%	0.632	S	S	*	*	S	Bend	trans	-126.2	103.3	173.5	-60.8	-172.8	-175.3	-159.3	0.6	107.8	S361 G365	S361-R363 PolarHBondContact O-N 3.03Å; R363-G365 PolarHBondContact O-N 3.23Å; R363-G365 VanDerWaalsContact O-N 3.09Å
364	G	42.9	Very low	35.8	Very low	91 Å²	91	121.6 Å²	121.6	94%	0.938	62%	0.618	S	S	*	*			trans	-50	109.5	-161.4	0	0	0	0	0	115.3
365	G	30.1	Very low	36.1	Very low	58 Å²	58	125.8 Å²	125.8	60%	0.598	62%	0.623	S	S	*	*			trans	-171.1	116.2	175.4	0	0	0	0	0	112.6	R363	R363-G365 PolarHBondContact O-N 3.23Å; R363-G365 VanDerWaalsContact O-N 3.09Å
366	F	28.8	Very low	36.6	Very low	193 Å²	193	123.3 Å²	123.3	85%	0.846	62%	0.615	S	S	*	*			trans	36.6	95.1	167.4	-75.8	-85	0	0	0	118	R368	F366-R368 PolarHBondContact O-N 2.88Å
367	R	31.2	Very low	37.3	Very low	179 Å²	179	120.6 Å²	120.6	68%	0.675	60%	0.601	S	S	*	*			trans	-47.3	132.9	159.1	-73.8	179.7	167.3	-167.2	-7.2	110.6	E360	E360-R367 VanDerWaalsContact CD-NH2 3.31Å; E360-R367 IonicContact OE1-CZ 3.8Å; E360-R367 IonicContact OE1-NE 3.12Å; E360-R367 PolarHBondContact OE1-NE 3.08Å; E360-R367 IonicContact OE1-NH2 3.42Å; E360-R367 PolarHBondContact OE1-NH2 3.22Å; E360-R367 IonicContact OE2-NH2 3.82Å; E360-R367 PolarHBondContact OE2-NH2 3.02Å
368	R	38.7	Very low	37.7	Very low	124 Å²	124	118.4 Å²	118.4	47%	0.468	59%	0.588	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-123.4	150.5	172.1	-66.5	-171.7	-178.1	-160.9	0.8	110.2	F366 F370	F366-R368 PolarHBondContact O-N 2.88Å; R368-F370 HydrophobicContact CB-CE2 4.03Å; R368-F370 HydrophobicContact CB-CZ 4.4Å
369	T	30.5	Very low	38.3	Very low	72 Å²	72	117.9 Å²	117.9	44%	0.442	58%	0.578	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-124.8	117.4	-175.6	45.4	0	0	0	0	109.5	T356	T356-T369 VanDerWaalsContact CG2-CB 3.47Å; T356-T369 HydrophobicContact CG2-CG2 3.43Å; T356-T369 VanDerWaalsContact CG2-CG2 3.43Å
370	F	34.1	Very low	38.6	Very low	119 Å²	119	110 Å²	110	52%	0.522	55%	0.551	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-112.6	148.3	-179.2	-64.2	-79.2	0	0	0	110.5	R368	R368-F370 HydrophobicContact CB-CE2 4.03Å; R368-F370 HydrophobicContact CB-CZ 4.4Å
371	S	37.3	Very low	38.9	Very low	46 Å²	46	105.6 Å²	105.6	32%	0.322	53%	0.529	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	148.1	173.2	179.9	0	0	0	0	111.1	S373 E374	S371-S373 PolarHBondContact O-N 3.42Å; S371-S373 PolarHBondContact OG-N 3.11Å; S371-S373 PolarHBondContact OG-OG 2.96Å; S371-E374 PolarHBondContact N-OE2 3.34Å; S371-E374 VanDerWaalsContact O-CB 3.27Å; S371-E374 WeakPolarHBondContact O-CB 3.41Å; S371-E374 PolarHBondContact O-N 3.31Å
372	R	33.9	Very low	39	Very low	201 Å²	201	102.8 Å²	102.8	76%	0.758	51%	0.508	S	S	*	.	G	3₁₀ helix	trans	-59.3	-25.9	170.9	-65.4	-173.2	79.9	-170.8	4.9	112.6	N355 E374	N355-R372 WeakPolarHBondContact OD1-CD 3.47Å; N355-R372 WeakPolarHBondContact OD1-CG 3.42Å; R372-E374 VanDerWaalsContact C-N 3.25Å; R372-E374 PolarHBondContact O-N 2.95Å
373	S	39.6	Very low	39.1	Very low	75 Å²	75	93.7 Å²	93.7	52%	0.524	47%	0.466	S	S	.	.	G	3₁₀ helix	trans	-74.2	-5.8	175.8	58.4	0	0	0	0	115.1	S371 R375	S371-S373 PolarHBondContact O-N 3.42Å; S371-S373 PolarHBondContact OG-N 3.11Å; S371-S373 PolarHBondContact OG-OG 2.96Å; S373-R375 VanDerWaalsContact C-N 3.34Å; S373-R375 PolarHBondContact O-N 3.14Å
374	E	43.2	Very low	39.3	Very low	80 Å²	80	83.6 Å²	83.6	37%	0.374	43%	0.43	S	S	.	.	G	3₁₀ helix	trans	-90.1	8.7	-168.4	-161	148.1	-141	0	0	114.2	S371 R372 R379	S371-E374 PolarHBondContact N-OE2 3.34Å; S371-E374 VanDerWaalsContact O-CB 3.27Å; S371-E374 WeakPolarHBondContact O-CB 3.41Å; S371-E374 PolarHBondContact O-N 3.31Å; R372-E374 VanDerWaalsContact C-N 3.25Å; R372-E374 PolarHBondContact O-N 2.95Å; E374-R379 IonicContact OE1-CZ 3.49Å; E374-R379 IonicContact OE1-NH1 2.74Å; E374-R379 IonicContact OE1-NH2 3.51Å; E374-R379 PolarHBondContact OE1-NH2 2.95Å
375	R	41.1	Very low	39.2	Very low	234 Å²	234	80.3 Å²	80.3	88%	0.883	39%	0.391	S	S	*	.	G	3₁₀ helix	trans	-101.5	-9.4	-169.7	-164.2	169.9	-72.7	-136.7	0.7	115.8	S373	S373-R375 VanDerWaalsContact C-N 3.34Å; S373-R375 PolarHBondContact O-N 3.14Å
376	A	46.3	Very low	39.6	Very low	42 Å²	42	81.6 Å²	81.6	35%	0.347	38%	0.378	S	S	.	.	S	Bend	trans	-140.1	7.1	-171.4	0	0	0	0	0	116.3	N146	N146-A376 HydrophobicContact CB-CB 4.14Å; N146-A376 VanDerWaalsContact OD1-CB 3.32Å; N146-A376 WeakPolarHBondContact OD1-CB 3.32Å
377	G	47	Very low	40.2	Very low	13 Å²	13	72.9 Å²	72.9	13%	0.134	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	126	-171.9	0	0	0	0	0	114.8	V143 N144	V143-G377 WeakPolarHBondContact O-CA 3.28Å; N144-G377 VanDerWaalsContact OD1-CA 3.22Å; N144-G377 WeakPolarHBondContact OD1-CA 3.41Å
378	V	47.9	Very low	40.5	Very low	42 Å²	42	67.4 Å²	67.4	26%	0.255	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	138.7	166.8	177.9	0	0	0	0	108.7	V143 R330	V143-V378 PolarHBondContact N-O 3.01Å; V143-V378 PolarHBondContact O-N 3.42Å; R330-V378 HydrophobicContact CG-CG1 3.91Å
379	R	46.3	Very low	40.6	Very low	61 Å²	61	61.9 Å²	61.9	23%	0.23	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	113.1	180	-58.7	-162.6	176.1	156.7	1.6	111.3	N142 V331 E374 Y381	N142-R379 VanDerWaalsContact OD1-CD 3.31Å; N142-R379 WeakPolarHBondContact OD1-CD 3.26Å; N142-R379 WeakPolarHBondContact OD1-CG 3.25Å; V331-R379 WeakPolarHBondContact CA-O 3.44Å; V331-R379 PolarHBondContact N-O 2.78Å; V331-R379 PolarHBondContact O-N 3.41Å; E374-R379 IonicContact OE1-CZ 3.49Å; E374-R379 IonicContact OE1-NH1 2.74Å; E374-R379 IonicContact OE1-NH2 3.51Å; E374-R379 PolarHBondContact OE1-NH2 2.95Å; R379-Y381 HydrophobicContact CB-CD2 4.26Å; R379-Y381 HydrophobicContact CB-CE2 3.59Å; R379-Y381 WeakPolarHBondContact CD-OH 3.43Å
380	T	43.4	Very low	41.2	Very low	36 Å²	36	66.1 Å²	66.1	22%	0.221	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	119.1	175.8	-52	0	0	0	0	109.2	I141	I141-T380 PolarHBondContact N-O 2.79Å; I141-T380 PolarHBondContact O-N 2.98Å
381	Y	38.7	Very low	41.5	Very low	27 Å²	27	69.5 Å²	69.5	11%	0.106	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	122	178.9	-69.5	-89.2	0	0	0	110.2	E140 R329 V331 R379	E140-Y381 HydrophobicContact CB-CD1 4.07Å; E140-Y381 HydrophobicContact CB-CE1 3.97Å; E140-Y381 HydrophobicContact CG-CD1 4.05Å; E140-Y381 HydrophobicContact CG-CE1 3.51Å; E140-Y381 WeakPolarHBondContact OE1-CE1 3.23Å; E140-Y381 VanDerWaalsContact OE1-CZ 3.22Å; E140-Y381 PolarHBondContact OE1-OH 2.95Å; R329-Y381 PolarHBondContact N-O 3.08Å; R329-Y381 PolarHBondContact O-N 3.34Å; V331-Y381 HydrophobicContact CB-CD2 3.91Å; V331-Y381 HydrophobicContact CB-CE2 3.86Å; V331-Y381 HydrophobicContact CG1-CE2 4.4Å; V331-Y381 HydrophobicContact CG2-CD2 3.52Å; V331-Y381 HydrophobicContact CG2-CE2 3.82Å; R379-Y381 HydrophobicContact CB-CD2 4.26Å; R379-Y381 HydrophobicContact CB-CE2 3.59Å; R379-Y381 WeakPolarHBondContact CD-OH 3.43Å
382	V	39.6	Very low	41.7	Very low	37 Å²	37	68 Å²	68	22%	0.224	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	91.5	167.9	178.6	0	0	0	0	106.9	L139 V328	L139-V382 HydrophobicContact CB-CB 4.26Å; L139-V382 PolarHBondContact N-O 2.96Å; L139-V382 PolarHBondContact O-N 3.27Å; V328-V382 HydrophobicContact CG1-CG2 4.32Å; V328-V382 HydrophobicContact CG2-CG1 4.33Å; V328-V382 HydrophobicContact CG2-CG2 4.33Å
383	S	42.6	Very low	42.1	Very low	10 Å²	10	62.5 Å²	62.5	7%	0.07	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	132.3	-167.6	33.2	0	0	0	0	114.5	Q327 R329	Q327-S383 WeakPolarHBondContact CB-O 3.49Å; Q327-S383 PolarHBondContact N-O 3.42Å; Q327-S383 PolarHBondContact O-N 3.34Å; Q327-S383 PolarHBondContact O-OG 3.46Å; R329-S383 PolarHBondContact NE-OG 3.24Å
384	T	41.4	Very low	42.1	Very low	15 Å²	15	65.6 Å²	65.6	9%	0.092	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	56.2	63.9	159.7	54.4	0	0	0	0	117.2	F137 S138 I342 R386	F137-T384 WeakPolarHBondContact O-CA 3.47Å; F137-T384 PolarHBondContact O-N 3.32Å; S138-T384 PolarHBondContact OG-N 2.71Å; I342-T384 HydrophobicContact CD1-CG2 4.38Å; T384-R386 PolarHBondContact O-N 3.01Å; T384-R386 VanDerWaalsContact O-N 3.07Å
385	I	40.8	Very low	42.2	Very low	22 Å²	22	64.6 Å²	64.6	11%	0.113	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-54.1	116.3	149.7	-47.8	-179.3	0	0	0	107	R136 F137 L324 D325 L326 I387 I412	R136-I385 WeakPolarHBondContact CA-O 3.23Å; F137-I385 HydrophobicContact CB-CB 4.39Å; F137-I385 HydrophobicContact CD1-CD1 4.12Å; F137-I385 HydrophobicContact CD1-CG1 4.46Å; F137-I385 PolarHBondContact N-O 2.69Å; L324-I385 HydrophobicContact CD2-CG2 4.07Å; D325-I385 WeakPolarHBondContact O-CA 3.44Å; L326-I385 HydrophobicContact CD1-CB 4.48Å; L326-I385 HydrophobicContact CD1-CD1 4.25Å; L326-I385 HydrophobicContact CD1-CG1 3.84Å; L326-I385 HydrophobicContact CD1-CG2 4.21Å; L326-I385 HydrophobicContact CG-CG1 4.15Å; I385-I387 HydrophobicContact CG2-CD1 4.34Å; I385-I387 HydrophobicContact CG2-CG1 4.02Å; I385-I412 HydrophobicContact CD1-CD1 4.36Å
386	R	38.8	Very low	42.4	Very low	86 Å²	86	57.8 Å²	57.8	33%	0.325	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	124.7	171.5	-73.4	-178.9	174.5	93.5	-6.1	109.5	D325 T384	D325-R386 IonicContact OD2-CZ 3.22Å; D325-R386 IonicContact OD2-NH1 3.51Å; D325-R386 PolarHBondContact OD2-NH1 3.04Å; T384-R386 PolarHBondContact O-N 3.01Å; T384-R386 VanDerWaalsContact O-N 3.07Å
387	I	42.7	Very low	42.3	Very low	10 Å²	10	57.7 Å²	57.7	5%	0.051	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	110.7	175.3	-54.6	-178.6	0	0	0	108.8	F135 L324 I385 I389 I392 L409	F135-I387 HydrophobicContact CB-CB 4.38Å; F135-I387 HydrophobicContact CD1-CD1 4.26Å; F135-I387 HydrophobicContact CD1-CG1 4.5Å; F135-I387 PolarHBondContact N-O 3.43Å; F135-I387 PolarHBondContact O-N 3.43Å; L324-I387 HydrophobicContact CD2-CD1 4.38Å; L324-I387 HydrophobicContact CD2-CG1 4.03Å; I385-I387 HydrophobicContact CG2-CD1 4.34Å; I385-I387 HydrophobicContact CG2-CG1 4.02Å; I387-I389 VanDerWaalsContact C-N 3.32Å; I387-I389 HydrophobicContact CG2-CG1 4.34Å; I387-I389 PolarHBondContact O-N 3.48Å; I387-I392 HydrophobicContact CG2-CD1 3.92Å; I387-L409 HydrophobicContact CD1-CD1 4.19Å; I387-L409 HydrophobicContact CD1-CD2 3.55Å; I387-L409 HydrophobicContact CD1-CG 4.44Å
388	P	36.1	Very low	42.5	Very low	63 Å²	63	60.1 Å²	60.1	41%	0.409	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	80.7	177	32.4	-33.8	0	0	0	110	R390 R391	P388-R390 PolarHBondContact O-N 3.22Å; P388-R391 PolarHBondContact O-N 2.87Å
389	I	41.8	Very low	42.5	Very low	8 Å²	8	65.5 Å²	65.5	4%	0.041	34%	0.341	C	S	.	.	H	α-helix	trans	-52.3	-29	-174.3	-64.1	166.3	0	0	0	112.4	L102 G133 F135 I387 R391 I392 L393	L102-I389 HydrophobicContact CD1-CG2 3.86Å; L102-I389 HydrophobicContact CD2-CD1 4.17Å; G133-I389 WeakPolarHBondContact O-CB 3.35Å; G133-I389 PolarHBondContact O-N 3.07Å; F135-I389 HydrophobicContact CB-CD1 4.07Å; I387-I389 VanDerWaalsContact C-N 3.32Å; I387-I389 HydrophobicContact CG2-CG1 4.34Å; I387-I389 PolarHBondContact O-N 3.48Å; I389-R391 PolarHBondContact O-N 3.19Å; I389-R391 VanDerWaalsContact O-N 3.08Å; I389-I392 WeakPolarHBondContact O-CB 3.37Å; I389-I392 PolarHBondContact O-N 3.05Å; I389-L393 HydrophobicContact CG2-CD1 4.29Å; I389-L393 HydrophobicContact CG2-CG 4.43Å; I389-L393 PolarHBondContact O-N 3.34Å
390	R	42.5	Very low	42.4	Very low	161 Å²	161	67.7 Å²	67.7	61%	0.608	36%	0.362	S	S	*	.	H	α-helix	trans	-62.8	-9.5	178.1	-64.8	-175.6	179.5	-91.6	3	115.7	N131 S132 P388	N131-R390 PolarHBondContact O-NH2 2.82Å; S132-R390 PolarHBondContact O-NE 2.69Å; P388-R390 PolarHBondContact O-N 3.22Å
391	R	41.3	Very low	42.4	Very low	190 Å²	190	68.3 Å²	68.3	72%	0.717	37%	0.366	S	S	*	.	H	α-helix	trans	-86.3	-40.8	166.2	-85.8	-174.3	175.1	150.1	-0.5	112.7	P388 I389 L393 N394 T395	P388-R391 PolarHBondContact O-N 2.87Å; I389-R391 PolarHBondContact O-N 3.19Å; I389-R391 VanDerWaalsContact O-N 3.08Å; R391-L393 PolarHBondContact O-N 2.89Å; R391-N394 PolarHBondContact O-N 2.74Å; R391-T395 PolarHBondContact O-N 3.48Å; R391-T395 PolarHBondContact O-OG1 2.91Å
392	I	40.4	Very low	43	Very low	15 Å²	15	67.8 Å²	67.8	8%	0.077	37%	0.366	C	S	.	.	H	α-helix	trans	-57.7	-36.1	-176.2	-56.1	-179.2	0	0	0	111	I98 I322 I387 I389 L397	I98-I392 HydrophobicContact CD1-CG2 3.86Å; I98-I392 HydrophobicContact CG2-CG2 3.87Å; I322-I392 HydrophobicContact CD1-CD1 4.27Å; I322-I392 HydrophobicContact CD1-CG1 4Å; I387-I392 HydrophobicContact CG2-CD1 3.92Å; I389-I392 WeakPolarHBondContact O-CB 3.37Å; I389-I392 PolarHBondContact O-N 3.05Å; I392-L397 HydrophobicContact CB-CD1 4.27Å; I392-L397 HydrophobicContact CG2-CD1 3.64Å
393	L	43	Very low	43.6	Very low	85 Å²	85	69.6 Å²	69.6	45%	0.445	38%	0.377	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.2	-14.8	-179.5	-61.6	172	0	0	0	115.2	I99 I389 R391	I99-L393 HydrophobicContact CD1-CD2 4.25Å; I99-L393 HydrophobicContact CG1-CD2 3.91Å; I389-L393 HydrophobicContact CG2-CD1 4.29Å; I389-L393 HydrophobicContact CG2-CG 4.43Å; I389-L393 PolarHBondContact O-N 3.34Å; R391-L393 PolarHBondContact O-N 2.89Å
394	N	39.8	Very low	43.8	Very low	141 Å²	141	71.5 Å²	71.5	75%	0.754	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	-116.2	-10.1	-170.3	-77.8	41.8	0	0	0	113.6	R391	R391-N394 PolarHBondContact O-N 2.74Å
395	T	44.3	Very low	44.2	Very low	58 Å²	58	72.5 Å²	72.5	36%	0.356	40%	0.397	S	S	.	.	S	Bend	trans	-106.3	125.6	166.9	53.2	0	0	0	0	107.9	P320 R391 L397	P320-T395 HydrophobicContact CB-CG2 4.39Å; P320-T395 HydrophobicContact CG-CG2 4.3Å; R391-T395 PolarHBondContact O-N 3.48Å; R391-T395 PolarHBondContact O-OG1 2.91Å; T395-L397 VanDerWaalsContact C-N 3.28Å; T395-L397 PolarHBondContact O-N 2.92Å
396	G	45.5	Very low	44.7	Very low	92 Å²	92	71.7 Å²	71.7	95%	0.948	39%	0.393	S	S	*	.			trans	-63.5	89.7	171.6	0	0	0	0	0	110.4
397	L	43.8	Very low	45.2	Very low	39 Å²	39	70.8 Å²	70.8	20%	0.204	40%	0.397	C	S	.	.			trans	-75.1	133.6	174.1	-75.2	165.8	0	0	0	108.2	P320 I392 T395	P320-L397 HydrophobicContact CG-CD2 3.78Å; I392-L397 HydrophobicContact CB-CD1 4.27Å; I392-L397 HydrophobicContact CG2-CD1 3.64Å; T395-L397 VanDerWaalsContact C-N 3.28Å; T395-L397 PolarHBondContact O-N 2.92Å
398	S	51.2	Low	45.5	Very low	65 Å²	65	74.6 Å²	74.6	46%	0.455	42%	0.416	S	S	.	.			trans	-62.7	146.5	172.2	60.8	0	0	0	0	109.6	T400 T401 S402	S398-T400 PolarHBondContact O-N 2.98Å; S398-T400 VanDerWaalsContact O-N 3.1Å; S398-T400 PolarHBondContact OG-OG1 2.79Å; S398-T401 PolarHBondContact N-OG1 3.48Å; S398-T401 WeakPolarHBondContact O-CA 3.36Å; S398-T401 PolarHBondContact O-N 2.96Å; S398-T401 PolarHBondContact O-OG1 3.16Å; S398-T401 PolarHBondContact OG-OG1 2.91Å; S398-S402 PolarHBondContact O-N 3.47Å
399	E	48.7	Very low	46.2	Very low	154 Å²	154	72.4 Å²	72.4	72%	0.72	40%	0.401	S	S	*	.	H	α-helix	trans	-53.2	-36.7	-178.9	-68.5	164.1	111.3	0	0	111.9	T401 S402 V403	E399-T401 VanDerWaalsContact C-N 3.29Å; E399-T401 PolarHBondContact O-N 2.83Å; E399-S402 CarbonylContact O-C 3.46Å; E399-S402 WeakPolarHBondContact O-CA 3.13Å; E399-S402 VanDerWaalsContact O-CB 3.28Å; E399-S402 WeakPolarHBondContact O-CB 3.36Å; E399-S402 PolarHBondContact O-N 2.62Å; E399-S402 VanDerWaalsContact O-N 3.08Å; E399-V403 WeakPolarHBondContact O-CB 3.46Å; E399-V403 WeakPolarHBondContact O-CG2 3.33Å; E399-V403 PolarHBondContact O-N 3.22Å
400	T	44.9	Very low	46.8	Very low	108 Å²	108	76.7 Å²	76.7	66%	0.663	42%	0.417	S	S	*	.	H	α-helix	trans	-54.6	-39.4	172.3	51.5	0	0	0	0	114	S398 A404	S398-T400 PolarHBondContact O-N 2.98Å; S398-T400 VanDerWaalsContact O-N 3.1Å; S398-T400 PolarHBondContact OG-OG1 2.79Å; T400-A404 WeakPolarHBondContact O-CB 3.35Å; T400-A404 PolarHBondContact O-N 3.28Å; T400-A404 VanDerWaalsContact O-N 3.08Å
401	T	43.3	Very low	47.2	Very low	49 Å²	49	73.2 Å²	73.2	30%	0.301	41%	0.407	S	S	.	.	H	α-helix	trans	-81	-29.2	175.8	61.3	0	0	0	0	112.8	S398 E399 I405	S398-T401 PolarHBondContact N-OG1 3.48Å; S398-T401 WeakPolarHBondContact O-CA 3.36Å; S398-T401 PolarHBondContact O-N 2.96Å; S398-T401 PolarHBondContact O-OG1 3.16Å; S398-T401 PolarHBondContact OG-OG1 2.91Å; E399-T401 VanDerWaalsContact C-N 3.29Å; E399-T401 PolarHBondContact O-N 2.83Å; T401-I405 WeakPolarHBondContact O-CD1 3.29Å; T401-I405 VanDerWaalsContact O-CG1 3.26Å; T401-I405 WeakPolarHBondContact O-CG1 3.38Å; T401-I405 PolarHBondContact O-N 3.36Å
402	S	51.4	Low	47.6	Very low	16 Å²	16	65.2 Å²	65.2	11%	0.112	38%	0.378	C	S	.	.	H	α-helix	trans	-60.4	-56	169	-175.6	0	0	0	0	110.4	I98 S398 E399 A404 I405 Q406	I98-S402 WeakPolarHBondContact CB-OG 3.03Å; I98-S402 VanDerWaalsContact CG1-OG 3.25Å; I98-S402 WeakPolarHBondContact CG1-OG 3.09Å; S398-S402 PolarHBondContact O-N 3.47Å; E399-S402 CarbonylContact O-C 3.46Å; E399-S402 WeakPolarHBondContact O-CA 3.13Å; E399-S402 VanDerWaalsContact O-CB 3.28Å; E399-S402 WeakPolarHBondContact O-CB 3.36Å; E399-S402 PolarHBondContact O-N 2.62Å; E399-S402 VanDerWaalsContact O-N 3.08Å; S402-A404 PolarHBondContact O-N 3.4Å; S402-I405 CarbonylContact O-C 3.48Å; S402-I405 PolarHBondContact O-N 3.06Å; S402-Q406 PolarHBondContact O-N 3.21Å; S402-Q406 PolarHBondContact O-OE1 2.91Å; S402-Q406 PolarHBondContact OG-OE1 3.25Å
403	V	50.5	Low	47.8	Very low	74 Å²	74	67.4 Å²	67.4	45%	0.448	39%	0.389	S	S	.	.	H	α-helix	trans	-59	-44.1	179.7	171.9	0	0	0	0	110.8	E399 I405 Q406 T407	E399-V403 WeakPolarHBondContact O-CB 3.46Å; E399-V403 WeakPolarHBondContact O-CG2 3.33Å; E399-V403 PolarHBondContact O-N 3.22Å; V403-I405 VanDerWaalsContact C-N 3.26Å; V403-I405 PolarHBondContact O-N 3.11Å; V403-Q406 CarbonylContact O-C 3.54Å; V403-Q406 PolarHBondContact O-N 3.03Å; V403-Q406 VanDerWaalsContact O-N 3.14Å; V403-T407 HydrophobicContact CG1-CG2 4.14Å; V403-T407 WeakPolarHBondContact O-CG2 3.16Å; V403-T407 PolarHBondContact O-N 2.85Å; V403-T407 PolarHBondContact O-OG1 3.13Å; V403-T407 VanDerWaalsContact O-OG1 3.08Å
404	A	46.8	Very low	47.9	Very low	51 Å²	51	67.4 Å²	67.4	42%	0.421	39%	0.393	S	S	.	.	H	α-helix	trans	-61.4	-31.2	176.3	0	0	0	0	0	113.8	T400 S402 T407 M408	T400-A404 WeakPolarHBondContact O-CB 3.35Å; T400-A404 PolarHBondContact O-N 3.28Å; T400-A404 VanDerWaalsContact O-N 3.08Å; S402-A404 PolarHBondContact O-N 3.4Å; A404-T407 PolarHBondContact O-OG1 3.02Å; A404-M408 VanDerWaalsContact O-CB 3.29Å; A404-M408 WeakPolarHBondContact O-CB 3.46Å; A404-M408 PolarHBondContact O-N 2.73Å
405	I	51.1	Low	48.2	Very low	35 Å²	35	61.4 Å²	61.4	18%	0.179	36%	0.364	C	S	.	.	H	α-helix	trans	-79	-38.8	174.1	-67.3	163.8	0	0	0	110.4	I98 I322 T401 S402 V403 L409	I98-I405 HydrophobicContact CD1-CB 4.14Å; I98-I405 HydrophobicContact CD1-CG2 4.04Å; I322-I405 HydrophobicContact CD1-CD1 3.63Å; T401-I405 WeakPolarHBondContact O-CD1 3.29Å; T401-I405 VanDerWaalsContact O-CG1 3.26Å; T401-I405 WeakPolarHBondContact O-CG1 3.38Å; T401-I405 PolarHBondContact O-N 3.36Å; S402-I405 CarbonylContact O-C 3.48Å; S402-I405 PolarHBondContact O-N 3.06Å; V403-I405 VanDerWaalsContact C-N 3.26Å; V403-I405 PolarHBondContact O-N 3.11Å; I405-L409 HydrophobicContact CG2-CD1 3.77Å; I405-L409 HydrophobicContact CG2-CG 4.37Å; I405-L409 WeakPolarHBondContact O-CB 3.35Å; I405-L409 VanDerWaalsContact O-CG 3.23Å; I405-L409 WeakPolarHBondContact O-CG 3.39Å; I405-L409 PolarHBondContact O-N 3.35Å
406	Q	50.1	Low	48.3	Very low	5 Å²	5	59.5 Å²	59.5	2%	0.023	35%	0.351	C	S	.	.	H	α-helix	trans	-63.3	-46.1	174.5	-78.9	155.8	-81.8	0	0	112.1	D96 I98 S402 V403 L409 R410	D96-Q406 PolarHBondContact O-NE2 2.89Å; D96-Q406 PolarHBondContact OD1-NE2 2.68Å; I98-Q406 HydrophobicContact CG1-CG 3.72Å; S402-Q406 PolarHBondContact O-N 3.21Å; S402-Q406 PolarHBondContact O-OE1 2.91Å; S402-Q406 PolarHBondContact OG-OE1 3.25Å; V403-Q406 CarbonylContact O-C 3.54Å; V403-Q406 PolarHBondContact O-N 3.03Å; V403-Q406 VanDerWaalsContact O-N 3.14Å; Q406-L409 PolarHBondContact O-N 2.69Å; Q406-R410 WeakPolarHBondContact O-CB 3.19Å; Q406-R410 PolarHBondContact O-N 3.07Å
407	T	49.8	Very low	47.9	Very low	67 Å²	67	57 Å²	57	41%	0.411	33%	0.325	S	S	.	.	H	α-helix	trans	-65.4	-45.2	178.1	54.7	0	0	0	0	110.8	V403 A404 L409 R410 Q411	V403-T407 HydrophobicContact CG1-CG2 4.14Å; V403-T407 WeakPolarHBondContact O-CG2 3.16Å; V403-T407 PolarHBondContact O-N 2.85Å; V403-T407 PolarHBondContact O-OG1 3.13Å; V403-T407 VanDerWaalsContact O-OG1 3.08Å; A404-T407 PolarHBondContact O-OG1 3.02Å; T407-L409 PolarHBondContact O-N 3.03Å; T407-R410 PolarHBondContact O-N 3.41Å; T407-Q411 VanDerWaalsContact O-CB 3.26Å; T407-Q411 WeakPolarHBondContact O-CB 3.27Å; T407-Q411 VanDerWaalsContact O-CG 3.25Å; T407-Q411 WeakPolarHBondContact O-CG 3.37Å; T407-Q411 PolarHBondContact O-N 2.84Å
408	M	49	Very low	47.7	Very low	91 Å²	91	61.3 Å²	61.3	45%	0.448	34%	0.344	S	S	.	.	H	α-helix	trans	-57.7	-46.4	174.7	-175.2	-173.9	-61.8	0	0	112.2	L324 A404 I412	L324-M408 HydrophobicContact CD1-SD 4.37Å; A404-M408 VanDerWaalsContact O-CB 3.29Å; A404-M408 WeakPolarHBondContact O-CB 3.46Å; A404-M408 PolarHBondContact O-N 2.73Å; M408-I412 HydrophobicContact CG-CD1 4.08Å; M408-I412 WeakPolarHBondContact O-CB 3.4Å; M408-I412 WeakPolarHBondContact O-CD1 3.31Å; M408-I412 VanDerWaalsContact O-CG1 3.23Å; M408-I412 WeakPolarHBondContact O-CG1 3.14Å; M408-I412 PolarHBondContact O-N 3.22Å
409	L	51.9	Low	47	Very low	17 Å²	17	61 Å²	61	9%	0.089	34%	0.338	C	S	.	.	H	α-helix	trans	-73.7	-34.6	-179.9	-66.8	174.1	0	0	0	113	W101 I387 I405 Q406 T407 I412 M413	W101-L409 HydrophobicContact CH2-CB 3.51Å; W101-L409 HydrophobicContact CH2-CD1 4.2Å; W101-L409 HydrophobicContact CH2-CG 4.48Å; W101-L409 HydrophobicContact CZ2-CB 4.23Å; W101-L409 HydrophobicContact CZ3-CB 4Å; W101-L409 HydrophobicContact CZ3-CD1 3.87Å; I387-L409 HydrophobicContact CD1-CD1 4.19Å; I387-L409 HydrophobicContact CD1-CD2 3.55Å; I387-L409 HydrophobicContact CD1-CG 4.44Å; I405-L409 HydrophobicContact CG2-CD1 3.77Å; I405-L409 HydrophobicContact CG2-CG 4.37Å; I405-L409 WeakPolarHBondContact O-CB 3.35Å; I405-L409 VanDerWaalsContact O-CG 3.23Å; I405-L409 WeakPolarHBondContact O-CG 3.39Å; I405-L409 PolarHBondContact O-N 3.35Å; Q406-L409 PolarHBondContact O-N 2.69Å; T407-L409 PolarHBondContact O-N 3.03Å; L409-I412 HydrophobicContact CD2-CD1 4.49Å; L409-I412 PolarHBondContact O-N 3.48Å; L409-M413 WeakPolarHBondContact O-CG 3.25Å; L409-M413 PolarHBondContact O-N 3.11Å
410	R	53.4	Low	46.4	Very low	98 Å²	98	57.1 Å²	57.1	37%	0.37	33%	0.327	S	S	.	.	H	α-helix	trans	-64.6	-47.5	173.3	-165.5	175.7	-61.6	-161.5	5.9	109.6	D96 Q406 T407 I412 M413 T414	D96-R410 VanDerWaalsContact CG-NH2 3.31Å; D96-R410 IonicContact OD1-NH2 3.18Å; D96-R410 PolarHBondContact OD1-NH2 3.46Å; D96-R410 VanDerWaalsContact OD1-NH2 3.07Å; D96-R410 IonicContact OD2-CZ 3.01Å; D96-R410 IonicContact OD2-NH1 2.69Å; D96-R410 IonicContact OD2-NH2 3.07Å; D96-R410 PolarHBondContact OD2-NH2 2.79Å; Q406-R410 WeakPolarHBondContact O-CB 3.19Å; Q406-R410 PolarHBondContact O-N 3.07Å; T407-R410 PolarHBondContact O-N 3.41Å; R410-I412 PolarHBondContact O-N 3.29Å; R410-M413 CarbonylContact O-C 3.6Å; R410-M413 WeakPolarHBondContact O-CA 3.47Å; R410-M413 WeakPolarHBondContact O-CB 3.28Å; R410-M413 PolarHBondContact O-N 3.42Å; R410-T414 HydrophobicContact CG-CG2 4.27Å; R410-T414 PolarHBondContact O-N 2.58Å; R410-T414 PolarHBondContact O-OG1 2.91Å
411	Q	50.6	Low	46	Very low	87 Å²	87	60.1 Å²	60.1	41%	0.407	33%	0.327	S	S	.	.	H	α-helix	trans	-59.1	-40.9	173.5	-75.7	172.9	-22	0	0	112.9	T407 M413 T414 G415	T407-Q411 VanDerWaalsContact O-CB 3.26Å; T407-Q411 WeakPolarHBondContact O-CB 3.27Å; T407-Q411 VanDerWaalsContact O-CG 3.25Å; T407-Q411 WeakPolarHBondContact O-CG 3.37Å; T407-Q411 PolarHBondContact O-N 2.84Å; Q411-M413 PolarHBondContact O-N 3.47Å; Q411-T414 PolarHBondContact O-N 2.77Å; Q411-G415 WeakPolarHBondContact O-CA 3.22Å; Q411-G415 PolarHBondContact O-N 3.49Å
412	I	50.2	Low	45.6	Very low	22 Å²	22	64.8 Å²	64.8	11%	0.113	34%	0.344	C	S	.	.	H	α-helix	trans	-62.5	-23.3	173.4	-72.2	164.6	0	0	0	112.1	F137 I385 M408 L409 R410 F416	F137-I412 HydrophobicContact CD1-CG2 4.29Å; F137-I412 HydrophobicContact CD2-CG2 3.9Å; F137-I412 HydrophobicContact CE1-CG2 4.11Å; F137-I412 HydrophobicContact CE2-CG2 3.69Å; F137-I412 HydrophobicContact CG-CG2 4.19Å; F137-I412 HydrophobicContact CZ-CG2 3.8Å; I385-I412 HydrophobicContact CD1-CD1 4.36Å; M408-I412 HydrophobicContact CG-CD1 4.08Å; M408-I412 WeakPolarHBondContact O-CB 3.4Å; M408-I412 WeakPolarHBondContact O-CD1 3.31Å; M408-I412 VanDerWaalsContact O-CG1 3.23Å; M408-I412 WeakPolarHBondContact O-CG1 3.14Å; M408-I412 PolarHBondContact O-N 3.22Å; L409-I412 HydrophobicContact CD2-CD1 4.49Å; L409-I412 PolarHBondContact O-N 3.48Å; R410-I412 PolarHBondContact O-N 3.29Å; I412-F416 WeakPolarHBondContact O-CD2 3.49Å; I412-F416 VanDerWaalsContact O-CE2 3.32Å; I412-F416 WeakPolarHBondContact O-CE2 3.43Å
413	M	43.7	Very low	45	Very low	62 Å²	62	67.8 Å²	67.8	31%	0.305	36%	0.357	S	S	.	.	H	α-helix	trans	-96	-33.5	177.2	-68.9	176.3	59.1	0	0	113.7	W101 V105 L409 R410 Q411	W101-M413 HydrophobicContact CH2-SD 4.15Å; W101-M413 HydrophobicContact CZ2-SD 4.04Å; V105-M413 HydrophobicContact CG2-CE 4.35Å; L409-M413 WeakPolarHBondContact O-CG 3.25Å; L409-M413 PolarHBondContact O-N 3.11Å; R410-M413 CarbonylContact O-C 3.6Å; R410-M413 WeakPolarHBondContact O-CA 3.47Å; R410-M413 WeakPolarHBondContact O-CB 3.28Å; R410-M413 PolarHBondContact O-N 3.42Å; Q411-M413 PolarHBondContact O-N 3.47Å
414	T	46.2	Very low	44.4	Very low	84 Å²	84	71.9 Å²	71.9	52%	0.515	37%	0.365	S	S	.	.	H	α-helix	trans	-100.3	-50.5	-175.9	59.4	0	0	0	0	113.2	R113 R410 Q411 F416 G417	R113-T414 PolarHBondContact NH1-O 3.31Å; R410-T414 HydrophobicContact CG-CG2 4.27Å; R410-T414 PolarHBondContact O-N 2.58Å; R410-T414 PolarHBondContact O-OG1 2.91Å; Q411-T414 PolarHBondContact O-N 2.77Å; T414-F416 PolarHBondContact O-N 3Å; T414-G417 PolarHBondContact O-N 2.82Å
415	G	45.1	Very low	43.8	Very low	16 Å²	16	73.7 Å²	73.7	17%	0.165	38%	0.375	C	S	.	.	G	3₁₀ helix	trans	-62.1	-1.6	-167.1	0	0	0	0	0	116.8	Q411 G417 E418	Q411-G415 WeakPolarHBondContact O-CA 3.22Å; Q411-G415 PolarHBondContact O-N 3.49Å; G415-G417 PolarHBondContact O-N 3.1Å; G415-E418 PolarHBondContact O-N 2.93Å
416	F	47	Very low	42.9	Very low	17 Å²	17	78.6 Å²	78.6	8%	0.075	40%	0.402	C	S	.	.	G	3₁₀ helix	trans	-67.8	5.4	164.9	-74.2	-99.7	0	0	0	113.4	W122 F137 L139 I412 T414 L419	W122-F416 HydrophobicContact CE3-CD1 4.48Å; W122-F416 HydrophobicContact CH2-CB 4.16Å; W122-F416 HydrophobicContact CZ3-CD1 4.36Å; F137-F416 HydrophobicContact CZ-CE2 4.44Å; F137-F416 HydrophobicContact CZ-CZ 4.39Å; L139-F416 HydrophobicContact CD1-CE1 3.93Å; L139-F416 HydrophobicContact CD1-CZ 4.43Å; L139-F416 HydrophobicContact CD2-CE1 3.79Å; L139-F416 HydrophobicContact CD2-CZ 3.87Å; I412-F416 WeakPolarHBondContact O-CD2 3.49Å; I412-F416 VanDerWaalsContact O-CE2 3.32Å; I412-F416 WeakPolarHBondContact O-CE2 3.43Å; T414-F416 PolarHBondContact O-N 3Å; F416-L419 HydrophobicContact CB-CD1 4.5Å; F416-L419 HydrophobicContact CD1-CD1 3.39Å; F416-L419 HydrophobicContact CE1-CD1 3.71Å; F416-L419 HydrophobicContact CG-CD1 4.12Å
417	G	38.2	Very low	42.1	Very low	39 Å²	39	83.3 Å²	83.3	40%	0.402	44%	0.435	S	S	.	.	G	3₁₀ helix	trans	-84.5	-23.2	162.8	0	0	0	0	0	114.6	T414 G415 S420	T414-G417 PolarHBondContact O-N 2.82Å; G415-G417 PolarHBondContact O-N 3.1Å; G417-S420 PolarHBondContact O-OG 2.92Å
418	E	38.3	Very low	41.3	Very low	130 Å²	130	88 Å²	88	61%	0.607	46%	0.458	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.3	-15.8	-176.3	-69	159.2	-174.1	0	0	112.5	G415 S420 Y421 F422	G415-E418 PolarHBondContact O-N 2.93Å; E418-S420 PolarHBondContact O-N 3.36Å; E418-Y421 WeakPolarHBondContact O-CB 3.31Å; E418-Y421 PolarHBondContact O-N 2.83Å; E418-F422 PolarHBondContact O-N 2.88Å
419	L	37.5	Very low	40.3	Very low	60 Å²	60	88.3 Å²	88.3	31%	0.314	48%	0.475	S	S	.	.	H	α-helix	trans	-62.9	-19.2	169.9	-65.7	175.2	0	0	0	113	F416 Y421 L500	F416-L419 HydrophobicContact CB-CD1 4.5Å; F416-L419 HydrophobicContact CD1-CD1 3.39Å; F416-L419 HydrophobicContact CE1-CD1 3.71Å; F416-L419 HydrophobicContact CG-CD1 4.12Å; L419-Y421 VanDerWaalsContact C-N 3.28Å; L419-L500 HydrophobicContact CD2-CD2 3.92Å
420	S	36	Very low	39.3	Very low	71 Å²	71	95.4 Å²	95.4	50%	0.497	51%	0.513	S	S	.	.	H	α-helix	trans	-81.6	1.2	169.2	15.1	0	0	0	0	114.2	G417 E418 Y424	G417-S420 PolarHBondContact O-OG 2.92Å; E418-S420 PolarHBondContact O-N 3.36Å; S420-Y424 WeakPolarHBondContact O-CD2 3.29Å; S420-Y424 WeakPolarHBondContact O-CE2 3.45Å
421	Y	36.4	Very low	38.6	Very low	171 Å²	171	96 Å²	96	67%	0.671	53%	0.53	S	S	*	.	H	α-helix	trans	-100.4	-57.8	170.9	-163.5	-100.9	0	0	0	110.3	E418 L419 M423 Y424	E418-Y421 WeakPolarHBondContact O-CB 3.31Å; E418-Y421 PolarHBondContact O-N 2.83Å; L419-Y421 VanDerWaalsContact C-N 3.28Å; Y421-M423 VanDerWaalsContact C-N 3.28Å; Y421-M423 PolarHBondContact O-N 3.28Å; Y421-M423 VanDerWaalsContact O-N 3.13Å; Y421-Y424 PolarHBondContact O-N 2.96Å
422	F	35.3	Very low	37.5	Very low	147 Å²	147	97.7 Å²	97.7	65%	0.645	55%	0.551	S	S	*	*	H	α-helix	trans	-58.7	-30.5	-177.2	-85.1	-82.8	0	0	0	115	E418 Y424	E418-F422 PolarHBondContact O-N 2.88Å; F422-Y424 PolarHBondContact O-N 3.18Å
423	M	37.6	Very low	36.4	Very low	80 Å²	80	100.2 Å²	100.2	39%	0.394	58%	0.583	S	S	.	*	T	Hydrogen-bonded Turn	trans	-81.4	18.5	175.8	-61.5	-134.1	-54.5	0	0	114.6	R117 Y421	R117-M423 VanDerWaalsContact CZ-O 3.22Å; R117-M423 PolarHBondContact NH1-O 3.42Å; R117-M423 PolarHBondContact NH2-O 2.77Å; Y421-M423 VanDerWaalsContact C-N 3.28Å; Y421-M423 PolarHBondContact O-N 3.28Å; Y421-M423 VanDerWaalsContact O-N 3.13Å
424	Y	37.8	Very low	35.9	Very low	159 Å²	159	103.4 Å²	103.4	62%	0.624	61%	0.608	S	S	*	*	T	Hydrogen-bonded Turn	trans	-113.8	-1.5	170.8	-77.7	-99	0	0	0	113.8	R117 S420 Y421 F422	R117-Y424 PolarHBondContact NE-OH 3.21Å; R117-Y424 VanDerWaalsContact NH2-CD1 3.34Å; R117-Y424 VanDerWaalsContact NH2-CE1 3.27Å; R117-Y424 VanDerWaalsContact NH2-CG 3.33Å; S420-Y424 WeakPolarHBondContact O-CD2 3.29Å; S420-Y424 WeakPolarHBondContact O-CE2 3.45Å; Y421-Y424 PolarHBondContact O-N 2.96Å; F422-Y424 PolarHBondContact O-N 3.18Å
425	S	34.5	Very low	35.4	Very low	90 Å²	90	104.2 Å²	104.2	63%	0.629	62%	0.623	S	S	*	*	S	Bend	trans	-100.3	-12.1	-173	-56	0	0	0	0	115.7
426	D	31.5	Very low	34.7	Very low	137 Å²	137	109.3 Å²	109.3	73%	0.733	65%	0.653	S	S	*	*			trans	-104.1	91.2	174	-79.7	-45.4	0	0	0	110.2
427	S	33.2	Very low	33.9	Very low	104 Å²	104	116.1 Å²	116.1	73%	0.727	69%	0.69	S	S	*	*			trans	-155.9	141.9	163.1	-68.9	0	0	0	0	110.7
428	D	33.4	Very low	33.5	Very low	165 Å²	165	123.4 Å²	123.4	88%	0.882	71%	0.714	S	S	*	*			trans	65.1	75.4	166.4	-53.4	-21.5	0	0	0	118.9
429	A	29.3	Very low	33	Very low	99 Å²	99	124.3 Å²	124.3	82%	0.818	72%	0.723	S	S	*	*			trans	-151	71.1	155.8	0	0	0	0	0	112.4	P431	A429-P431 WeakPolarHBondContact O-CD 3.23Å
430	D	29.7	Very low	32.8	Very low	166 Å²	166	128.8 Å²	128.8	89%	0.888	75%	0.752	S	S	*	*			trans	-78.5	127.9	174.8	-102	-36.4	0	0	0	112.6
431	P	38.6	Very low	32.3	Very low	110 Å²	110	132.8 Å²	132.8	71%	0.714	77%	0.768	S	S	*	*			trans	-116.4	109.8	171.2	34.1	-19.7	0	0	0	112.2	A429	A429-P431 WeakPolarHBondContact O-CD 3.23Å
432	S	28.8	Very low	31.9	Very low	123 Å²	123	128.4 Å²	128.4	86%	0.86	77%	0.767	S	S	*	*			trans	-147.4	43.8	179.3	-82.5	0	0	0	0	116.7
433	G	26	Very low	31.6	Very low	75 Å²	75	127.4 Å²	127.4	77%	0.773	78%	0.779	S	S	*	*			trans	62.2	-165.8	154.7	0	0	0	0	0	118.1
434	P	33.7	Very low	31.2	Very low	128 Å²	128	131.4 Å²	131.4	83%	0.831	80%	0.796	S	S	*	*			cis	-108.6	167.6	-15.1	39.4	-29.6	0	0	0	112.8
435	A	36.6	Very low	31.3	Very low	101 Å²	101	128.5 Å²	128.5	84%	0.835	80%	0.797	S	S	*	*			trans	-90.2	141.1	-179.3	0	0	0	0	0	113.9
436	P	30	Very low	31.2	Very low	123 Å²	123	131.9 Å²	131.9	80%	0.799	80%	0.803	S	S	*	*			trans	-110.5	119.9	161.9	34.5	-24.4	0	0	0	112.4
437	N	30.1	Very low	31	Very low	160 Å²	160	132.8 Å²	132.8	86%	0.856	81%	0.808	S	S	*	*			trans	-75.8	134.5	160.8	-80.6	-20.3	0	0	0	109.9
438	Q	30.3	Very low	30.7	Very low	193 Å²	193	131.3 Å²	131.3	90%	0.902	81%	0.809	S	S	*	*			trans	-148.7	142.4	137.8	-69.7	-156.4	17	0	0	110.7
439	N	27.7	Very low	30.3	Very low	148 Å²	148	127.3 Å²	127.3	79%	0.791	81%	0.807	S	S	*	*			trans	-83.7	153.1	162.7	-51.5	-50	0	0	0	108.7
440	V	31.7	Very low	30.2	Very low	154 Å²	154	126.9 Å²	126.9	93%	0.933	81%	0.812	S	S	*	*				-177.1	174.6	112.3	-85.7	0	0	0	0	111.7
441	D	26.8	Very low	30	Very low	155 Å²	155	122.4 Å²	122.4	83%	0.829	81%	0.806	S	S	*	*			trans	-78.5	166.8	-160.9	-142.8	-25.4	0	0	0	117.3
442	A	28	Very low	29.6	Very low	79 Å²	79	122.8 Å²	122.8	65%	0.653	81%	0.81	S	S	*	*			trans	39.1	125.1	152	0	0	0	0	0	122.7
443	S	28.7	Very low	29.5	Very low	126 Å²	126	122 Å²	122	88%	0.881	81%	0.805	S	S	*	*				-173.4	127.4	121.2	-78.5	0	0	0	0	113.5
444	E	29.7	Very low	29.7	Very low	164 Å²	164	124.3 Å²	124.3	77%	0.766	81%	0.809	S	S	*	*			trans	-81.6	172.5	155.1	-118.8	-152.6	101.4	0	0	109.5
445	P	39.5	Very low	29.4	Very low	99 Å²	99	125.6 Å²	125.6	64%	0.643	81%	0.809	S	S	*	*			cis	-145.8	172.9	34.8	42	-21.6	0	0	0	118.6
446	Q	31.7	Very low	29	Very low	161 Å²	161	129.7 Å²	129.7	75%	0.752	81%	0.811	S	S	*	*			trans	38.2	143.5	140.1	-58.9	169.4	22.1	0	0	120.7
447	N	27.3	Very low	29.1	Very low	155 Å²	155	127.9 Å²	127.9	83%	0.829	80%	0.802	S	S	*	*			cis	-172.4	156.1	40.5	-164.4	1.5	0	0	0	113
448	G	27.1	Very low	29.1	Very low	74 Å²	74	126.8 Å²	126.8	76%	0.763	80%	0.801	S	S	*	*			trans	83.7	144.8	157.2	0	0	0	0	0	118.1
449	G	25.4	Very low	29	Very low	81 Å²	81	125.1 Å²	125.1	84%	0.835	80%	0.798	S	S	*	*			cis	168.8	122.4	-9.8	0	0	0	0	0	114.7
450	G	26.5	Very low	29	Very low	89 Å²	89	121.9 Å²	121.9	92%	0.918	79%	0.791	S	S	*	*			trans	83.6	151.4	172.9	0	0	0	0	0	115.8
451	G	25.6	Very low	28.9	Very low	73 Å²	73	120.2 Å²	120.2	75%	0.753	79%	0.787	S	S	*	*			cis	144.6	98.3	-13.2	0	0	0	0	0	115.4
452	S	29.5	Very low	29	Very low	117 Å²	117	118.6 Å²	118.6	82%	0.818	79%	0.788	S	S	*	*			trans	168.8	124.8	153.3	-75.3	0	0	0	0	107.2
453	S	27.3	Very low	29	Very low	108 Å²	108	117.8 Å²	117.8	76%	0.755	79%	0.787	S	S	*	*			cis	96.9	98.6	33.4	76.7	0	0	0	0	114.3
454	S	31.5	Very low	29	Very low	122 Å²	122	121 Å²	121	85%	0.853	79%	0.788	S	S	*	*			trans	-151.3	121.7	152.3	47.1	0	0	0	0	108.8
455	N	27.6	Very low	28.9	Very low	155 Å²	155	119.3 Å²	119.3	83%	0.829	79%	0.789	S	S	*	*			trans	-99.6	154.6	174.2	-66.7	-14.8	0	0	0	109.5
456	E	27	Very low	28.4	Very low	188 Å²	188	124.7 Å²	124.7	88%	0.879	80%	0.798	S	S	*	*			trans	149.1	145.3	139.9	-83.7	-165.8	70.6	0	0	110.4
457	S	31.6	Very low	28.2	Very low	85 Å²	85	125.6 Å²	125.6	59%	0.594	80%	0.802	S	S	*	*			cis	-172.4	141.4	-24.6	-106.6	0	0	0	0	109.1
458	T	31.1	Very low	28.1	Very low	137 Å²	137	121.8 Å²	121.8	84%	0.84	80%	0.8	S	S	*	*			trans	60.7	155.4	163.1	47	0	0	0	0	117.2
459	D	27	Very low	28.1	Very low	158 Å²	158	122.2 Å²	122.2	85%	0.845	80%	0.804	S	S	*	*			cis	-133	177.1	20.1	-150.6	-12	0	0	0	113.3
460	A	29.2	Very low	28.2	Very low	79 Å²	79	125 Å²	125	65%	0.653	80%	0.8	S	S	*	*			trans	-135.6	-173.5	-164.2	0	0	0	0	0	114.9
461	S	29.8	Very low	28.4	Very low	119 Å²	119	129.1 Å²	129.1	83%	0.832	80%	0.795	S	S	*	*			trans	76.6	139	-179.9	-47.8	0	0	0	0	115
462	S	29.1	Very low	28.4	Very low	122 Å²	122	129.5 Å²	129.5	85%	0.853	80%	0.8	S	S	*	*			cis	-159.9	166.3	-10.5	-85.5	0	0	0	0	107
463	G	26	Very low	28.3	Very low	62 Å²	62	127.8 Å²	127.8	64%	0.639	80%	0.8	S	S	*	*			cis	136.1	135.3	6.3	0	0	0	0	0	110.6
464	E	29.6	Very low	28.4	Very low	192 Å²	192	128.6 Å²	128.6	90%	0.897	81%	0.806	S	S	*	*			trans	77.5	122	171.4	-48.7	-156.3	133.3	0	0	116.6
465	V	28.4	Very low	28.3	Very low	130 Å²	130	129.2 Å²	129.2	79%	0.788	81%	0.805	S	S	*	*				87.2	126.9	55	164.3	0	0	0	0	110.8
466	Y	27.7	Very low	28.4	Very low	211 Å²	211	127.4 Å²	127.4	83%	0.827	80%	0.804	S	S	*	*				-154.6	-167.1	54.5	52.4	-102	0	0	0	117.3
467	E	27.5	Very low	28.3	Very low	180 Å²	180	122.5 Å²	122.5	84%	0.841	80%	0.804	S	S	*	*			trans	-28.3	170.8	167.5	-59.6	176.8	133.1	0	0	120.5
468	G	25.3	Very low	28.1	Very low	76 Å²	76	123.6 Å²	123.6	78%	0.784	82%	0.818	S	S	*	*			cis	144.7	130.9	-5.5	0	0	0	0	0	114.9
469	G	27.1	Very low	27.9	Very low	83 Å²	83	128.6 Å²	128.6	86%	0.856	82%	0.821	S	S	*	*			trans	76.7	171.7	173.1	0	0	0	0	0	116.7
470	N	27.8	Very low	28	Very low	138 Å²	138	132.3 Å²	132.3	74%	0.738	82%	0.823	S	S	*	*			cis	-163.4	162.7	-23.1	-168.6	25.6	0	0	0	109.1
471	E	30.3	Very low	27.9	Very low	176 Å²	176	136.9 Å²	136.9	82%	0.822	83%	0.832	S	S	*	*			trans	66.2	153.8	165.5	-40.7	-177	-153.8	0	0	116.8
472	G	26.5	Very low	27.7	Very low	82 Å²	82	134.9 Å²	134.9	85%	0.845	83%	0.829	S	S	*	*			cis	162.7	132	-8.7	0	0	0	0	0	111.1
473	G	26.3	Very low	27.7	Very low	81 Å²	81	140 Å²	140	84%	0.835	83%	0.83	S	S	*	*			trans	168.4	124.4	175.2	0	0	0	0	0	116.5
474	S	30.3	Very low	28.1	Very low	124 Å²	124	145 Å²	145	87%	0.867	84%	0.842	S	S	*	*			trans	-136.4	123.2	179.1	-68.4	0	0	0	0	111.6
475	T	29.4	Very low	28.2	Very low	136 Å²	136	141.8 Å²	141.8	83%	0.834	84%	0.836	S	S	*	*			trans	-141.1	106.1	171.6	53.8	0	0	0	0	113.4
476	S	29	Very low	28.2	Very low	117 Å²	117	147.5 Å²	147.5	82%	0.818	84%	0.843	S	S	*	*			trans	22.9	113.6	145.3	57.7	0	0	0	0	120
477	G	25.7	Very low	28.2	Very low	84 Å²	84	140.7 Å²	140.7	87%	0.866	84%	0.837	S	S	*	*			trans	-80.6	-168.7	177	0	0	0	0	0	118.2
478	A	26.6	Very low	28.1	Very low	108 Å²	108	137.5 Å²	137.5	89%	0.893	84%	0.835	S	S	*	*			trans	-152.6	157.4	169.2	0	0	0	0	0	111.1
479	R	27.8	Very low	28.3	Very low	243 Å²	243	139.8 Å²	139.8	92%	0.917	83%	0.833	S	S	*	*			trans	-84.9	147	-175	-56	169.5	178.1	169.9	-2.9	112.8
480	R	27.8	Very low	28.2	Very low	235 Å²	235	142.2 Å²	142.2	89%	0.887	83%	0.831	S	S	*	*				-172.4	161.6	123.2	-109.3	175.5	177.8	-167	-1.4	113.9
481	E	26.9	Very low	28.6	Very low	176 Å²	176	144.5 Å²	144.5	82%	0.822	84%	0.835	S	S	*	*			trans	-71	145.2	-174.4	-62	94.9	116.6	0	0	115.2
482	G	27.1	Very low	28.8	Very low	76 Å²	76	145 Å²	145	78%	0.784	84%	0.838	S	S	*	*				105.9	119.7	123.9	0	0	0	0	0	117.5
483	R	29.5	Very low	28.9	Very low	231 Å²	231	148.4 Å²	148.4	87%	0.872	83%	0.832	S	S	*	*				-176.5	130.4	117.6	-168.1	165.5	-170.5	157.6	-0.4	110.4	T485	R483-T485 PolarHBondContact O-N 2.94Å
484	N	33.8	Very low	29.6	Very low	165 Å²	165	150 Å²	150	88%	0.882	83%	0.83	S	S	*	*			trans	-67.1	121.2	168.7	-69.7	0.7	0	0	0	109.8
485	T	31	Very low	30.1	Very low	126 Å²	126	147.2 Å²	147.2	77%	0.773	82%	0.821	S	S	*	*			trans	-113.1	144.9	161.1	46.8	0	0	0	0	109.6	R483	R483-T485 PolarHBondContact O-N 2.94Å
486	R	29.4	Very low	30.6	Very low	249 Å²	249	143.8 Å²	143.8	94%	0.94	80%	0.802	S	S	*	*	P	Polyproline II helix	trans	-66.7	134.3	-173	-66.7	168.9	172.2	154.2	-6.3	110.6
487	G	26.5	Very low	31.3	Very low	68 Å²	68	140.7 Å²	140.7	70%	0.701	78%	0.776	S	S	*	*	P	Polyproline II helix	trans	-61.9	137.2	157.3	0	0	0	0	0	109.3
488	S	25.1	Very low	32.3	Very low	113 Å²	113	142 Å²	142	79%	0.79	77%	0.769	S	S	*	*	P	Polyproline II helix	trans	-68.5	145.6	176.7	-164.2	0	0	0	0	110.3
489	V	29.4	Very low	32.8	Very low	124 Å²	124	140.6 Å²	140.6	75%	0.752	74%	0.743	S	S	*	*			trans	-104.6	95.4	173.8	-173.2	0	0	0	0	107.6	F491	V489-F491 PolarHBondContact O-N 3.2Å
490	T	26.3	Very low	33.4	Very low	134 Å²	134	131.6 Å²	131.6	82%	0.822	71%	0.713	S	S	*	*			trans	-68.6	114.4	166.5	42.7	0	0	0	0	108.4
491	F	35.4	Very low	34.2	Very low	186 Å²	186	123.6 Å²	123.6	82%	0.816	69%	0.693	S	S	*	*			trans	-105.5	86.9	-173.5	-174.8	-91.9	0	0	0	110	V489	V489-F491 PolarHBondContact O-N 3.2Å
492	E	33.8	Very low	34.9	Very low	188 Å²	188	118.2 Å²	118.2	88%	0.879	67%	0.67	S	S	*	*			trans	-136.5	97.1	170	-70.4	-155.6	126.5	0	0	110.8
493	E	30.5	Very low	35.6	Very low	153 Å²	153	116.9 Å²	116.9	72%	0.715	65%	0.651	S	S	*	*			trans	-145.7	75.7	160.8	-164.6	-176.1	148.3	0	0	108.7	G495 S496	E493-G495 PolarHBondContact O-N 3.23Å; E493-S496 WeakPolarHBondContact OE1-CB 3.24Å; E493-S496 PolarHBondContact OE1-OG 3.19Å
494	S	39.4	Very low	36.1	Very low	115 Å²	115	110.2 Å²	110.2	80%	0.804	63%	0.63	S	S	*	*			trans	-83.4	101	-178	-68	0	0	0	0	111.3
495	G	41.2	Very low	36.5	Very low	65 Å²	65	108.3 Å²	108.3	67%	0.67	61%	0.614	S	S	*	*	S	Bend	trans	144.4	-23.3	168.8	0	0	0	0	0	115.4	E493 L497	E493-G495 PolarHBondContact O-N 3.23Å; G495-L497 PolarHBondContact O-N 3.18Å
496	S	40.3	Very low	37.2	Very low	64 Å²	64	107.6 Å²	107.6	45%	0.448	60%	0.6	S	S	.	*			trans	-82.5	106.1	-177	-171.1	0	0	0	0	111.8	E493	E493-S496 WeakPolarHBondContact OE1-CB 3.24Å; E493-S496 PolarHBondContact OE1-OG 3.19Å
497	L	44.3	Very low	38	Very low	52 Å²	52	101 Å²	101	27%	0.272	58%	0.583	S	S	.	*			trans	-75.7	135.6	176.7	-64.7	178	0	0	0	110.8	G495 F499 L500 S501	G495-L497 PolarHBondContact O-N 3.18Å; L497-F499 HydrophobicContact CB-CD1 4.02Å; L497-F499 HydrophobicContact CB-CE1 4.33Å; L497-F499 HydrophobicContact CD1-CD1 4Å; L497-F499 HydrophobicContact CD1-CE1 3.56Å; L497-F499 PolarHBondContact O-N 3.42Å; L497-L500 HydrophobicContact CB-CB 4.29Å; L497-L500 HydrophobicContact CB-CD1 4.05Å; L497-L500 HydrophobicContact CB-CG 4.06Å; L497-L500 HydrophobicContact CD1-CD1 4.08Å; L497-L500 HydrophobicContact CD1-CG 4.5Å; L497-L500 HydrophobicContact CG-CD1 4.29Å; L497-L500 WeakPolarHBondContact O-CA 3.07Å; L497-L500 PolarHBondContact O-N 3.29Å; L497-S501 PolarHBondContact O-N 2.91Å
498	P	45.9	Very low	38.7	Very low	111 Å²	111	103.7 Å²	103.7	72%	0.721	58%	0.581	S	S	*	*	H	α-helix	trans	-63.3	-19.6	-179.9	24.7	-34.2	0	0	0	113.5	L502	P498-L502 WeakPolarHBondContact O-CB 3.47Å; P498-L502 PolarHBondContact O-N 2.78Å; P498-L502 VanDerWaalsContact O-N 3.07Å
499	F	37.6	Very low	39.5	Very low	78 Å²	78	102 Å²	102	34%	0.342	56%	0.563	S	S	.	*	H	α-helix	trans	-79.2	-30.7	171.8	99.4	-103.6	0	0	0	113	L497 L502 A503	L497-F499 HydrophobicContact CB-CD1 4.02Å; L497-F499 HydrophobicContact CB-CE1 4.33Å; L497-F499 HydrophobicContact CD1-CD1 4Å; L497-F499 HydrophobicContact CD1-CE1 3.56Å; L497-F499 PolarHBondContact O-N 3.42Å; F499-L502 PolarHBondContact O-N 2.9Å; F499-A503 PolarHBondContact O-N 2.73Å
500	L	39.9	Very low	40.4	Very low	55 Å²	55	99.9 Å²	99.9	29%	0.288	55%	0.545	S	S	.	.	H	α-helix	trans	-75.3	-41.6	173.8	-66.8	176.1	0	0	0	110.1	L419 L497 L502 A503 Q504	L419-L500 HydrophobicContact CD2-CD2 3.92Å; L497-L500 HydrophobicContact CB-CB 4.29Å; L497-L500 HydrophobicContact CB-CD1 4.05Å; L497-L500 HydrophobicContact CB-CG 4.06Å; L497-L500 HydrophobicContact CD1-CD1 4.08Å; L497-L500 HydrophobicContact CD1-CG 4.5Å; L497-L500 HydrophobicContact CG-CD1 4.29Å; L497-L500 WeakPolarHBondContact O-CA 3.07Å; L497-L500 PolarHBondContact O-N 3.29Å; L500-L502 VanDerWaalsContact C-N 3.27Å; L500-L502 PolarHBondContact O-N 2.91Å; L500-A503 WeakPolarHBondContact O-CA 3.31Å; L500-A503 WeakPolarHBondContact O-CB 3.48Å; L500-A503 PolarHBondContact O-N 2.99Å; L500-Q504 PolarHBondContact O-N 2.82Å
501	S	44	Very low	41.3	Very low	66 Å²	66	101.2 Å²	101.2	46%	0.462	55%	0.547	S	S	.	.	H	α-helix	trans	-53.3	-43.8	167	-179.8	0	0	0	0	111.6	L497 A503 Q504 F505	L497-S501 PolarHBondContact O-N 2.91Å; S501-A503 PolarHBondContact O-N 3.47Å; S501-Q504 PolarHBondContact O-N 3.49Å; S501-F505 WeakPolarHBondContact O-CB 3.37Å; S501-F505 PolarHBondContact O-N 2.94Å
502	L	43	Very low	41.7	Very low	64 Å²	64	97.9 Å²	97.9	34%	0.335	54%	0.538	S	S	.	.	H	α-helix	trans	-64	-35.9	174.5	-174.7	63.5	0	0	0	113.1	V328 P498 F499 L500 F506	V328-L502 HydrophobicContact CG2-CD2 4.3Å; P498-L502 WeakPolarHBondContact O-CB 3.47Å; P498-L502 PolarHBondContact O-N 2.78Å; P498-L502 VanDerWaalsContact O-N 3.07Å; F499-L502 PolarHBondContact O-N 2.9Å; L500-L502 VanDerWaalsContact C-N 3.27Å; L500-L502 PolarHBondContact O-N 2.91Å; L502-F506 HydrophobicContact CD1-CD2 4.19Å; L502-F506 HydrophobicContact CD1-CE2 3.61Å; L502-F506 HydrophobicContact CD1-CZ 4.23Å; L502-F506 HydrophobicContact CD2-CE2 4.42Å; L502-F506 HydrophobicContact CG-CD2 4.14Å; L502-F506 HydrophobicContact CG-CE2 3.79Å; L502-F506 WeakPolarHBondContact O-CD2 3.34Å; L502-F506 PolarHBondContact O-N 3.43Å
503	A	40.8	Very low	42.4	Very low	48 Å²	48	93.5 Å²	93.5	40%	0.397	52%	0.52	S	S	.	.	H	α-helix	trans	-68.9	-44.5	174.8	0	0	0	0	0	111.8	F499 L500 S501 F505 F506 L507	F499-A503 PolarHBondContact O-N 2.73Å; L500-A503 WeakPolarHBondContact O-CA 3.31Å; L500-A503 WeakPolarHBondContact O-CB 3.48Å; L500-A503 PolarHBondContact O-N 2.99Å; S501-A503 PolarHBondContact O-N 3.47Å; A503-F505 VanDerWaalsContact C-N 3.33Å; A503-F505 PolarHBondContact O-N 2.76Å; A503-F506 PolarHBondContact O-N 2.71Å; A503-F506 VanDerWaalsContact O-N 3.12Å; A503-L507 WeakPolarHBondContact O-CG 3.41Å; A503-L507 PolarHBondContact O-N 3.23Å
504	Q	39.9	Very low	43.3	Very low	90 Å²	90	94.1 Å²	94.1	42%	0.421	53%	0.528	S	S	.	.	H	α-helix	trans	-61.6	-41.2	175.4	-161.2	72.4	-6.4	0	0	111.2	L500 S501 F506 L507 L508	L500-Q504 PolarHBondContact O-N 2.82Å; S501-Q504 PolarHBondContact O-N 3.49Å; Q504-F506 VanDerWaalsContact C-N 3.26Å; Q504-F506 PolarHBondContact O-N 2.81Å; Q504-L507 PolarHBondContact O-N 2.83Å; Q504-L508 HydrophobicContact CG-CD1 3.86Å; Q504-L508 HydrophobicContact CG-CG 4.33Å; Q504-L508 PolarHBondContact O-N 2.98Å
505	F	43.5	Very low	43.7	Very low	126 Å²	126	95.3 Å²	95.3	55%	0.553	52%	0.522	S	S	*	.	H	α-helix	trans	-62.5	-28.8	174.7	-174.7	-92.7	0	0	0	112.9	S501 A503 L507 N509	S501-F505 WeakPolarHBondContact O-CB 3.37Å; S501-F505 PolarHBondContact O-N 2.94Å; A503-F505 VanDerWaalsContact C-N 3.33Å; A503-F505 PolarHBondContact O-N 2.76Å; F505-L507 VanDerWaalsContact C-N 3.35Å; F505-N509 WeakPolarHBondContact CD2-ND2 3.42Å; F505-N509 WeakPolarHBondContact CE2-ND2 3.49Å; F505-N509 PolarHBondContact O-ND2 3.5Å
506	F	45	Very low	44.1	Very low	110 Å²	110	97 Å²	97	48%	0.482	52%	0.52	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.2	-2.5	171.6	-75.3	-55.6	0	0	0	114.4	V328 L502 A503 Q504	V328-F506 HydrophobicContact CB-CE2 4.34Å; V328-F506 HydrophobicContact CG1-CD2 4.22Å; V328-F506 HydrophobicContact CG1-CE2 3.81Å; V328-F506 HydrophobicContact CG1-CZ 4.45Å; L502-F506 HydrophobicContact CD1-CD2 4.19Å; L502-F506 HydrophobicContact CD1-CE2 3.61Å; L502-F506 HydrophobicContact CD1-CZ 4.23Å; L502-F506 HydrophobicContact CD2-CE2 4.42Å; L502-F506 HydrophobicContact CG-CD2 4.14Å; L502-F506 HydrophobicContact CG-CE2 3.79Å; L502-F506 WeakPolarHBondContact O-CD2 3.34Å; L502-F506 PolarHBondContact O-N 3.43Å; A503-F506 PolarHBondContact O-N 2.71Å; A503-F506 VanDerWaalsContact O-N 3.12Å; Q504-F506 VanDerWaalsContact C-N 3.26Å; Q504-F506 PolarHBondContact O-N 2.81Å
507	L	45.8	Very low	45.1	Very low	110 Å²	110	99.5 Å²	99.5	58%	0.576	52%	0.52	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.3	-29.1	177.6	-69.7	171.1	0	0	0	113.2	A503 Q504 F505	A503-L507 WeakPolarHBondContact O-CG 3.41Å; A503-L507 PolarHBondContact O-N 3.23Å; Q504-L507 PolarHBondContact O-N 2.83Å; F505-L507 VanDerWaalsContact C-N 3.35Å
508	L	40.8	Very low	46.6	Very low	126 Å²	126	97.7 Å²	97.7	66%	0.66	51%	0.514	S	S	*	.	S	Bend	trans	-98.3	3.4	-177.4	-62.2	-178.8	0	0	0	115.1	Q504	Q504-L508 HydrophobicContact CG-CD1 3.86Å; Q504-L508 HydrophobicContact CG-CG 4.33Å; Q504-L508 PolarHBondContact O-N 2.98Å
509	N	43.5	Very low	48.3	Very low	76 Å²	76	93.2 Å²	93.2	41%	0.406	48%	0.484	S	S	.	.			trans	-110	57.5	175.8	-74.3	-69.4	0	0	0	111.1	F505	F505-N509 WeakPolarHBondContact CD2-ND2 3.42Å; F505-N509 WeakPolarHBondContact CE2-ND2 3.49Å; F505-N509 PolarHBondContact O-ND2 3.5Å
510	E	47.7	Very low	50.5	Low	80 Å²	80	92.5 Å²	92.5	37%	0.374	49%	0.486	S	S	.	.			trans	-88.9	-12.3	-177.3	-71	-141.5	119.5	0	0	115.5	R145 R330	R145-E510 IonicContact CZ-OE2 3.07Å; R145-E510 VanDerWaalsContact NH1-CD 3.25Å; R145-E510 IonicContact NH1-OE1 2.72Å; R145-E510 PolarHBondContact NH1-OE1 3.14Å; R145-E510 IonicContact NH1-OE2 2.67Å; R145-E510 PolarHBondContact NH1-OE2 2.97Å; R145-E510 IonicContact NH2-OE2 2.69Å; R145-E510 PolarHBondContact NH2-OE2 2.79Å; R330-E510 IonicContact NH2-OE1 3.09Å; R330-E510 PolarHBondContact NH2-OE1 3Å; R330-E510 VanDerWaalsContact NH2-OE1 3.07Å
511	D	44.3	Very low	52.5	Low	163 Å²	163	96.7 Å²	96.7	87%	0.872	50%	0.502	S	S	*	.	S	Bend	trans	-97	4.5	-166.2	-64.2	-70.7	0	0	0	117.3
512	D	44.5	Very low	54.5	Low	116 Å²	116	99.3 Å²	99.3	62%	0.62	51%	0.507	S	S	*	.	S	Bend	trans	-150.1	42.9	-169.9	-147.5	-5.1	0	0	0	115	R517	D512-R517 PolarHBondContact O-NH1 3.02Å; D512-R517 PolarHBondContact O-NH2 2.84Å
513	D	49.5	Very low	56.5	Low	95 Å²	95	99.8 Å²	99.8	51%	0.508	51%	0.507	S	S	.	.			trans	-131.1	14.5	-174.1	-108.9	-44.1	0	0	0	116.5	R517	D513-R517 VanDerWaalsContact CG-NE 3.35Å; D513-R517 IonicContact OD1-CZ 3.81Å; D513-R517 IonicContact OD1-NE 3.79Å; D513-R517 PolarHBondContact OD1-NE 2.99Å; D513-R517 IonicContact OD1-NH2 3Å; D513-R517 IonicContact OD2-CZ 3.48Å; D513-R517 IonicContact OD2-NE 3.7Å; D513-R517 PolarHBondContact OD2-NE 3.35Å; D513-R517 IonicContact OD2-NH2 3.73Å; D513-R517 PolarHBondContact OD2-NH2 2.86Å
514	D	48.1	Very low	58.7	Low	166 Å²	166	97.8 Å²	97.8	89%	0.888	49%	0.49	S	S	*	.	S	Bend	trans	-88.2	-9.6	166.6	-94	-43.8	0	0	0	113.2
515	Q	47.3	Very low	60.9	Low	141 Å²	141	96.7 Å²	96.7	66%	0.659	49%	0.487	S	S	*	.	S	Bend	trans	-95.8	132	171.6	-163	70.1	24.9	0	0	109.9	R517	Q515-R517 PolarHBondContact O-N 3.2Å; Q515-R517 VanDerWaalsContact O-N 3.08Å
516	P	49.7	Very low	63.1	Low	99 Å²	99	97.4 Å²	97.4	64%	0.643	50%	0.496	S	S	*	.			trans	-61.8	116.7	172.6	25.1	-33.2	0	0	0	109.9	G518	P516-G518 PolarHBondContact O-N 2.95Å; P516-G518 VanDerWaalsContact O-N 3.13Å; P516-G518 VanDerWaalsContact O-O 3.1Å
517	R	62	Low	65.1	Low	117 Å²	117	93 Å²	93	44%	0.442	48%	0.478	S	S	.	.	S	Bend	trans	-69.6	-5.4	-177.7	-58.6	-173.2	-173.1	-102.9	18.2	114.3	D512 D513 Q515 N575 S576	D512-R517 PolarHBondContact O-NH1 3.02Å; D512-R517 PolarHBondContact O-NH2 2.84Å; D513-R517 VanDerWaalsContact CG-NE 3.35Å; D513-R517 IonicContact OD1-CZ 3.81Å; D513-R517 IonicContact OD1-NE 3.79Å; D513-R517 PolarHBondContact OD1-NE 2.99Å; D513-R517 IonicContact OD1-NH2 3Å; D513-R517 IonicContact OD2-CZ 3.48Å; D513-R517 IonicContact OD2-NE 3.7Å; D513-R517 PolarHBondContact OD2-NE 3.35Å; D513-R517 IonicContact OD2-NH2 3.73Å; D513-R517 PolarHBondContact OD2-NH2 2.86Å; Q515-R517 PolarHBondContact O-N 3.2Å; Q515-R517 VanDerWaalsContact O-N 3.08Å; R517-N575 CarbonylContact O-C 3.59Å; R517-S576 PolarHBondContact O-N 3.46Å
518	G	74.8	Confident	67.1	Low	14 Å²	14	91 Å²	91	14%	0.144	48%	0.477	C	S	.	.	S	Bend	trans	-94.1	164.1	170.2	0	0	0	0	0	113.2	P516 L572	P516-G518 PolarHBondContact O-N 2.95Å; P516-G518 VanDerWaalsContact O-N 3.13Å; P516-G518 VanDerWaalsContact O-O 3.1Å; G518-L572 CarbonylContact C-O 3.43Å; G518-L572 VanDerWaalsContact CA-O 3.26Å; G518-L572 WeakPolarHBondContact CA-O 3.49Å
519	L	81.6	Confident	69.5	Low	17 Å²	17	90 Å²	90	9%	0.089	47%	0.47	C	S	.	.	P	Polyproline II helix	trans	-77	150.5	176	-61.7	-178.6	0	0	0	111.5	Q523 I524 L572 V585 L586	L519-Q523 HydrophobicContact CB-CB 4.21Å; L519-I524 HydrophobicContact CB-CD1 4.14Å; L519-I524 HydrophobicContact CB-CG1 3.68Å; L519-I524 HydrophobicContact CD1-CG1 4.31Å; L519-L572 HydrophobicContact CD1-CB 4.41Å; L519-L572 HydrophobicContact CD1-CD1 4.31Å; L519-L572 HydrophobicContact CD1-CD2 4.21Å; L519-L572 PolarHBondContact N-O 3.19Å; L519-V585 HydrophobicContact CD1-CB 4.03Å; L519-V585 HydrophobicContact CD1-CG1 3.76Å; L519-L586 HydrophobicContact CD1-CG 4.5Å; L519-L586 HydrophobicContact CD2-CD1 3.66Å; L519-L586 HydrophobicContact CD2-CG 3.76Å
520	T	85.6	Confident	71.5	Confident	63 Å²	63	89 Å²	89	39%	0.387	46%	0.461	S	S	.	.	P	Polyproline II helix	trans	-67.1	156.1	170.3	88.7	0	0	0	0	110.2	E522 Q523 I524	T520-E522 WeakPolarHBondContact CB-OE2 3.46Å; T520-E522 PolarHBondContact O-N 3.14Å; T520-E522 PolarHBondContact OG1-OE2 2.77Å; T520-Q523 HydrophobicContact CG2-CG 4.49Å; T520-Q523 WeakPolarHBondContact O-CB 3.32Å; T520-Q523 PolarHBondContact O-N 3.42Å; T520-Q523 VanDerWaalsContact O-N 3.08Å; T520-Q523 WeakPolarHBondContact OG1-CG 3.21Å; T520-Q523 PolarHBondContact OG1-N 2.81Å; T520-I524 WeakPolarHBondContact O-CG1 3.3Å; T520-I524 PolarHBondContact O-N 3.28Å
521	K	81.8	Confident	73.4	Confident	143 Å²	143	90.1 Å²	90.1	62%	0.622	47%	0.469	S	S	*	.	H	α-helix	trans	-58.8	-36.9	-178.3	-168.9	-166.3	170.1	-153	0	111.6	I524 D525	K521-I524 PolarHBondContact O-N 3.18Å; K521-D525 VanDerWaalsContact CE-OD2 3.24Å; K521-D525 WeakPolarHBondContact CE-OD2 3.36Å; K521-D525 IonicContact NZ-OD2 3.51Å; K521-D525 WeakPolarHBondContact O-CB 3.41Å; K521-D525 PolarHBondContact O-N 3.39Å
522	E	85.7	Confident	75.5	Confident	122 Å²	122	82.8 Å²	82.8	57%	0.57	43%	0.43	S	S	*	.	H	α-helix	trans	-66.4	-40.9	178.8	-53.2	67	-141.8	0	0	110.7	T520 I524 D525 N526	T520-E522 WeakPolarHBondContact CB-OE2 3.46Å; T520-E522 PolarHBondContact O-N 3.14Å; T520-E522 PolarHBondContact OG1-OE2 2.77Å; E522-I524 VanDerWaalsContact C-N 3.34Å; E522-D525 PolarHBondContact O-N 3.27Å; E522-N526 PolarHBondContact O-N 3.17Å; E522-N526 VanDerWaalsContact O-N 3.08Å; E522-N526 PolarHBondContact O-ND2 3.08Å
523	Q	84.9	Confident	77.3	Confident	73 Å²	73	78.4 Å²	78.4	34%	0.341	41%	0.412	S	S	.	.	H	α-helix	trans	-64.4	-38.8	174.5	-67.4	169.6	-14.9	0	0	111.6	L519 T520 L586	L519-Q523 HydrophobicContact CB-CB 4.21Å; T520-Q523 HydrophobicContact CG2-CG 4.49Å; T520-Q523 WeakPolarHBondContact O-CB 3.32Å; T520-Q523 PolarHBondContact O-N 3.42Å; T520-Q523 VanDerWaalsContact O-N 3.08Å; T520-Q523 WeakPolarHBondContact OG1-CG 3.21Å; T520-Q523 PolarHBondContact OG1-N 2.81Å; Q523-L586 HydrophobicContact CB-CD1 4.33Å; Q523-L586 HydrophobicContact CG-CD1 4.09Å
524	I	87.3	Confident	78.3	Confident	6 Å²	6	82.4 Å²	82.4	3%	0.031	43%	0.428	C	S	.	.	H	α-helix	trans	-67.1	-47.7	174.9	-62.8	168.3	0	0	0	110.5	L519 T520 K521 E522 N526 L527 R555 D569 L572	L519-I524 HydrophobicContact CB-CD1 4.14Å; L519-I524 HydrophobicContact CB-CG1 3.68Å; L519-I524 HydrophobicContact CD1-CG1 4.31Å; T520-I524 WeakPolarHBondContact O-CG1 3.3Å; T520-I524 PolarHBondContact O-N 3.28Å; K521-I524 PolarHBondContact O-N 3.18Å; E522-I524 VanDerWaalsContact C-N 3.34Å; I524-N526 VanDerWaalsContact C-N 3.29Å; I524-N526 PolarHBondContact O-N 3.09Å; I524-L527 VanDerWaalsContact O-CB 3.28Å; I524-L527 WeakPolarHBondContact O-CB 3.36Å; I524-L527 WeakPolarHBondContact O-CG 3.47Å; I524-L527 PolarHBondContact O-N 2.82Å; I524-R555 VanDerWaalsContact O-CZ 3.25Å; I524-R555 PolarHBondContact O-NH1 3.21Å; I524-D569 HydrophobicContact CG2-CB 3.98Å; I524-D569 VanDerWaalsContact CG2-CG 3.49Å; I524-D569 WeakPolarHBondContact CG2-OD1 3.25Å; I524-L572 HydrophobicContact CD1-CB 3.68Å; I524-L572 HydrophobicContact CG1-CB 3.8Å; I524-L572 HydrophobicContact CG1-CD1 4.36Å; I524-L572 HydrophobicContact CG2-CD1 4.43Å
525	D	86.3	Confident	79.5	Confident	67 Å²	67	80.5 Å²	80.5	36%	0.358	43%	0.427	S	S	.	.	H	α-helix	trans	-65.8	-28.7	-176	-85.7	-29	0	0	0	113.2	K521 E522 L527 R555	K521-D525 VanDerWaalsContact CE-OD2 3.24Å; K521-D525 WeakPolarHBondContact CE-OD2 3.36Å; K521-D525 IonicContact NZ-OD2 3.51Å; K521-D525 WeakPolarHBondContact O-CB 3.41Å; K521-D525 PolarHBondContact O-N 3.39Å; E522-D525 PolarHBondContact O-N 3.27Å; D525-L527 PolarHBondContact O-N 2.57Å; D525-R555 PolarHBondContact O-NH1 2.79Å; D525-R555 IonicContact OD1-CZ 3.62Å; D525-R555 IonicContact OD1-NH2 2.88Å; D525-R555 PolarHBondContact OD1-NH2 3.07Å
526	N	88.3	Confident	80.9	Confident	141 Å²	141	76 Å²	76	75%	0.754	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68	-15	171.7	-84.2	-70.2	0	0	0	114.5	E522 I524	E522-N526 PolarHBondContact O-N 3.17Å; E522-N526 VanDerWaalsContact O-N 3.08Å; E522-N526 PolarHBondContact O-ND2 3.08Å; I524-N526 VanDerWaalsContact C-N 3.29Å; I524-N526 PolarHBondContact O-N 3.09Å
527	L	87.9	Confident	82.2	Confident	19 Å²	19	74.9 Å²	74.9	10%	0.099	41%	0.407	C	S	.	.	S	Bend	trans	-74.1	134	178.1	-61.2	166.6	0	0	0	111	I524 D525 M529 R555 L557 L572 V585	I524-L527 VanDerWaalsContact O-CB 3.28Å; I524-L527 WeakPolarHBondContact O-CB 3.36Å; I524-L527 WeakPolarHBondContact O-CG 3.47Å; I524-L527 PolarHBondContact O-N 2.82Å; D525-L527 PolarHBondContact O-N 2.57Å; L527-M529 PolarHBondContact O-N 3.46Å; L527-R555 HydrophobicContact CB-CG 3.9Å; L527-R555 PolarHBondContact O-NH1 2.7Å; L527-L557 HydrophobicContact CD1-CD2 4Å; L527-L572 HydrophobicContact CD1-CD1 3.64Å; L527-V585 HydrophobicContact CD1-CG1 3.58Å; L527-V585 HydrophobicContact CD2-CG1 3.73Å; L527-V585 HydrophobicContact CG-CG1 4.3Å
528	A	88.2	Confident	82.7	Confident	66 Å²	66	76 Å²	76	55%	0.545	42%	0.42	S	S	.	.	P	Polyproline II helix	trans	-50.2	122.6	-172.9	0	0	0	0	0	113.4	R555 K556	A528-R555 WeakPolarHBondContact O-CA 3.2Å; A528-K556 PolarHBondContact O-N 3.5Å
529	M	89.9	Confident	83.1	Confident	106 Å²	106	79.5 Å²	79.5	52%	0.522	43%	0.432	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	144.8	172.4	-71.9	-179.2	-84.5	0	0	111	L527 L554 R555 V565	L527-M529 PolarHBondContact O-N 3.46Å; M529-L554 CarbonylContact C-O 3.55Å; M529-L554 VanDerWaalsContact CA-O 3.31Å; M529-L554 WeakPolarHBondContact CA-O 3.14Å; M529-R555 HydrophobicContact CG-CB 4.44Å; M529-R555 HydrophobicContact CG-CG 4.24Å; M529-V565 HydrophobicContact CG-CG2 4.07Å; M529-V565 HydrophobicContact SD-CG2 4Å
530	R	87.1	Confident	83.4	Confident	54 Å²	54	82.8 Å²	82.8	20%	0.204	45%	0.453	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	154.3	168.7	70.6	-179.6	-163.7	84.5	-14.9	109.7	D536 L554 E562	R530-D536 IonicContact CZ-OD1 2.69Å; R530-D536 IonicContact CZ-OD2 3.45Å; R530-D536 VanDerWaalsContact NH1-CG 3.31Å; R530-D536 IonicContact NH1-OD1 3.19Å; R530-D536 PolarHBondContact NH1-OD1 2.89Å; R530-D536 VanDerWaalsContact NH1-OD1 3.17Å; R530-D536 IonicContact NH1-OD2 3.17Å; R530-D536 PolarHBondContact NH1-OD2 2.95Å; R530-D536 IonicContact NH2-OD1 2.82Å; R530-D536 PolarHBondContact NH2-OD1 2.91Å; R530-D536 IonicContact NH2-OD2 3.04Å; R530-L554 HydrophobicContact CG-CB 4.15Å; R530-L554 PolarHBondContact N-O 3.38Å; R530-L554 WeakPolarHBondContact O-CA 3.36Å; R530-L554 PolarHBondContact O-N 3.49Å; R530-E562 IonicContact CZ-OE1 3.51Å; R530-E562 IonicContact CZ-OE2 2.74Å; R530-E562 VanDerWaalsContact NE-CD 3.34Å; R530-E562 IonicContact NE-OE1 2.68Å; R530-E562 PolarHBondContact NE-OE1 3.46Å; R530-E562 IonicContact NE-OE2 2.73Å; R530-E562 PolarHBondContact NE-OE2 2.9Å; R530-E562 IonicContact NH2-OE1 3.21Å; R530-E562 IonicContact NH2-OE2 3.58Å; R530-E562 PolarHBondContact NH2-OE2 2.87Å
531	N	87.5	Confident	83.7	Confident	105 Å²	105	79.8 Å²	79.8	56%	0.561	43%	0.434	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.5	154.1	165	-65.9	4.1	0	0	0	109.1	N552	N531-N552 CarbonylContact C-O 3.6Å; N531-N552 WeakPolarHBondContact CA-O 3.31Å
532	F	87	Confident	84.1	Confident	8 Å²	8	75.8 Å²	75.8	4%	0.035	43%	0.425	C	S	.	.			trans	-85.2	125.6	165.3	-166.9	-93.4	0	0	0	109.1	D536 Y548 T549 G551 N552 L554	F532-D536 WeakPolarHBondContact CA-OD2 3.44Å; F532-D536 HydrophobicContact CD1-CB 4.32Å; F532-D536 HydrophobicContact CD2-CB 3.64Å; F532-D536 HydrophobicContact CE1-CB 3.96Å; F532-D536 HydrophobicContact CE2-CB 3.25Å; F532-D536 HydrophobicContact CG-CB 4.18Å; F532-D536 HydrophobicContact CZ-CB 3.41Å; F532-D536 VanDerWaalsContact CZ-CB 3.41Å; F532-Y548 VanDerWaalsContact CD2-CB 3.45Å; F532-Y548 AromaticContact CD2-CD2 3.79Å; F532-Y548 HydrophobicContact CD2-CD2 3.79Å; F532-Y548 AromaticContact CD2-CG 3.94Å; F532-Y548 HydrophobicContact CD2-CG 3.94Å; F532-Y548 WeakPolarHBondContact CE1-O 3.24Å; F532-Y548 AromaticContact CE2-CD2 3.79Å; F532-Y548 HydrophobicContact CE2-CD2 3.79Å; F532-Y548 HydrophobicContact CE2-CG 4.14Å; F532-Y548 HydrophobicContact CG-CG 4.39Å; F532-T549 WeakPolarHBondContact CD1-O 3.44Å; F532-G551 PolarHBondContact O-N 3.49Å; F532-N552 HydrophobicContact CB-CB 4.24Å; F532-N552 PolarHBondContact N-O 3.39Å; F532-L554 HydrophobicContact CB-CD1 4Å; F532-L554 HydrophobicContact CB-CG 4.29Å; F532-L554 HydrophobicContact CD2-CD1 3.8Å; F532-L554 HydrophobicContact CG-CD1 4.36Å
533	G	82.6	Confident	84.3	Confident	24 Å²	24	72.8 Å²	72.8	25%	0.247	41%	0.414	C	S	.	.			trans	-108.9	164.6	180	0	0	0	0	0	112.7	S535 D536	G533-S535 PolarHBondContact O-N 3.36Å; G533-S535 VanDerWaalsContact O-N 3.08Å; G533-D536 PolarHBondContact N-OD2 3.31Å; G533-D536 WeakPolarHBondContact O-CB 3.38Å; G533-D536 PolarHBondContact O-N 3.22Å
534	E	70.6	Confident	84.5	Confident	180 Å²	180	71.7 Å²	71.7	84%	0.841	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60	-20.8	-179.5	-166.8	176.7	-149	0	0	113.7
535	S	72.4	Confident	84.7	Confident	126 Å²	126	78.4 Å²	78.4	88%	0.881	45%	0.448	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.4	-0.4	175.9	57.2	0	0	0	0	115.2	G533	G533-S535 PolarHBondContact O-N 3.36Å; G533-S535 VanDerWaalsContact O-N 3.08Å
536	D	78.4	Confident	84.8	Confident	47 Å²	47	78.5 Å²	78.5	25%	0.251	45%	0.452	S	S	.	.	S	Bend	trans	-72.3	138.5	170.5	-90.5	-68.5	0	0	0	110.6	R530 F532 G533 L538	R530-D536 IonicContact CZ-OD1 2.69Å; R530-D536 IonicContact CZ-OD2 3.45Å; R530-D536 VanDerWaalsContact NH1-CG 3.31Å; R530-D536 IonicContact NH1-OD1 3.19Å; R530-D536 PolarHBondContact NH1-OD1 2.89Å; R530-D536 VanDerWaalsContact NH1-OD1 3.17Å; R530-D536 IonicContact NH1-OD2 3.17Å; R530-D536 PolarHBondContact NH1-OD2 2.95Å; R530-D536 IonicContact NH2-OD1 2.82Å; R530-D536 PolarHBondContact NH2-OD1 2.91Å; R530-D536 IonicContact NH2-OD2 3.04Å; F532-D536 WeakPolarHBondContact CA-OD2 3.44Å; F532-D536 HydrophobicContact CD1-CB 4.32Å; F532-D536 HydrophobicContact CD2-CB 3.64Å; F532-D536 HydrophobicContact CE1-CB 3.96Å; F532-D536 HydrophobicContact CE2-CB 3.25Å; F532-D536 HydrophobicContact CG-CB 4.18Å; F532-D536 HydrophobicContact CZ-CB 3.41Å; F532-D536 VanDerWaalsContact CZ-CB 3.41Å; G533-D536 PolarHBondContact N-OD2 3.31Å; G533-D536 WeakPolarHBondContact O-CB 3.38Å; G533-D536 PolarHBondContact O-N 3.22Å; D536-L538 PolarHBondContact O-N 3.36Å
537	A	76.8	Confident	84.8	Confident	74 Å²	74	78 Å²	78	61%	0.612	45%	0.445	S	S	*	.	P	Polyproline II helix	trans	-60.7	131.1	169.3	0	0	0	0	0	110.9	K539	A537-K539 WeakPolarHBondContact O-CG 3.41Å; A537-K539 PolarHBondContact O-N 3.1Å
538	L	72.5	Confident	84.9	Confident	140 Å²	140	77.3 Å²	77.3	73%	0.733	44%	0.441	S	S	*	.	P	Polyproline II helix	trans	-52.4	121.2	178.7	-64.6	176.2	0	0	0	110.8	D536	D536-L538 PolarHBondContact O-N 3.36Å
539	K	82.7	Confident	84.7	Confident	89 Å²	89	78.7 Å²	78.7	39%	0.387	44%	0.443	S	S	.	.			trans	-134.1	154.1	-179.7	-75.6	161.6	175.2	170.4	0	108.8	A537 Y548 E562	A537-K539 WeakPolarHBondContact O-CG 3.41Å; A537-K539 PolarHBondContact O-N 3.1Å; K539-Y548 HydrophobicContact CB-CD2 3.61Å; K539-Y548 HydrophobicContact CB-CE2 3.66Å; K539-Y548 VanDerWaalsContact O-CD2 3.31Å; K539-Y548 WeakPolarHBondContact O-CD2 3.47Å; K539-Y548 PolarHBondContact O-N 3.27Å; K539-E562 IonicContact NZ-OE2 2.75Å; K539-E562 PolarHBondContact NZ-OE2 2.9Å
540	T	88.8	Confident	84.5	Confident	85 Å²	85	80.2 Å²	80.2	52%	0.521	45%	0.448	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	145.5	175.4	49.1	0	0	0	0	111.7	T546 E547	T540-T546 CarbonylContact C-O 3.52Å; T540-T546 WeakPolarHBondContact CA-O 3.4Å; T540-E547 HydrophobicContact CG2-CB 4.48Å; T540-E547 HydrophobicContact CG2-CG 3.62Å
541	C	91.6	Very high	84.3	Confident	0 Å²	0	80 Å²	80	0%	0	46%	0.464	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80	115.9	170.6	-172.6	0	0	0	0	109.7	V543 C544 I545 T546 Y548 H564	C541-V543 PolarHBondContact O-N 3.11Å; C541-C544 WeakPolarHBondContact CB-SG 3.2Å; C541-I545 VanDerWaalsContact O-CA 3.25Å; C541-I545 WeakPolarHBondContact O-CA 3.28Å; C541-I545 PolarHBondContact O-N 3.28Å; C541-T546 PolarHBondContact N-O 3.42Å; C541-Y548 WeakPolarHBondContact CA-OH 3.29Å; C541-Y548 HydrophobicContact CB-CE1 3.61Å; C541-H564 VanDerWaalsContact CB-ND1 3.28Å; C541-H564 WeakPolarHBondContact CB-ND1 3.31Å; C541-H564 PolarHBondContact SG-ND1 2.86Å; C541-H564 VanDerWaalsContact SG-ND1 3.43Å
542	S	89.4	Confident	84.4	Confident	60 Å²	60	76.9 Å²	76.9	42%	0.42	45%	0.447	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.9	-0.7	-176.8	84.9	0	0	0	0	114.9	I580	S542-I580 WeakPolarHBondContact OG-CG1 3.33Å
543	V	89.3	Confident	84.6	Confident	59 Å²	59	83 Å²	83	36%	0.358	47%	0.473	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.3	-42.3	-179	178.3	0	0	0	0	111.7	C541 Y563 C567 P579	C541-V543 PolarHBondContact O-N 3.11Å; V543-Y563 HydrophobicContact CG2-CD1 3.8Å; V543-Y563 HydrophobicContact CG2-CE1 4.06Å; V543-C567 HydrophobicContact CB-CB 3.98Å; V543-C567 HydrophobicContact CG1-CB 3.83Å; V543-P579 HydrophobicContact CG2-CB 4.48Å; V543-P579 HydrophobicContact CG2-CG 4.18Å
544	C	90.6	Very high	85	Confident	50 Å²	50	81.8 Å²	81.8	34%	0.338	46%	0.461	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.1	-5.6	177.4	53.5	0	0	0	0	113.7	C541 T546 H564 C567	C541-C544 WeakPolarHBondContact CB-SG 3.2Å; C544-T546 PolarHBondContact O-N 3.25Å; C544-T546 PolarHBondContact SG-OG1 2.98Å; C544-H564 PolarHBondContact SG-ND1 3.22Å; C544-C567 VanDerWaalsContact SG-SG 3.66Å
545	I	90.3	Very high	86	Confident	146 Å²	146	73.3 Å²	73.3	75%	0.749	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.5	32.7	177.8	-32.4	-179.1	0	0	0	112.6	C541	C541-I545 VanDerWaalsContact O-CA 3.25Å; C541-I545 WeakPolarHBondContact O-CA 3.28Å; C541-I545 PolarHBondContact O-N 3.28Å
546	T	88.3	Confident	86.9	Confident	70 Å²	70	71.3 Å²	71.3	43%	0.429	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	151.1	173.6	57.9	0	0	0	0	111.8	T540 C541 C544	T540-T546 CarbonylContact C-O 3.52Å; T540-T546 WeakPolarHBondContact CA-O 3.4Å; C541-T546 PolarHBondContact N-O 3.42Å; C544-T546 PolarHBondContact O-N 3.25Å; C544-T546 PolarHBondContact SG-OG1 2.98Å
547	E	89.5	Confident	87.6	Confident	129 Å²	129	69.2 Å²	69.2	60%	0.603	39%	0.386	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70.8	152	172.4	-70.9	170.4	-161.6	0	0	111.5	T540 T549	T540-E547 HydrophobicContact CG2-CB 4.48Å; T540-E547 HydrophobicContact CG2-CG 3.62Å; E547-T549 PolarHBondContact O-N 3.22Å
548	Y	88.6	Confident	88.1	Confident	6 Å²	6	70.3 Å²	70.3	2%	0.024	39%	0.387	C	S	.	.			trans	-80.1	112.5	171.8	-58.4	-44.1	0	0	0	111	F532 K539 C541 L554 E562 Y563 H564	F532-Y548 VanDerWaalsContact CD2-CB 3.45Å; F532-Y548 AromaticContact CD2-CD2 3.79Å; F532-Y548 HydrophobicContact CD2-CD2 3.79Å; F532-Y548 AromaticContact CD2-CG 3.94Å; F532-Y548 HydrophobicContact CD2-CG 3.94Å; F532-Y548 WeakPolarHBondContact CE1-O 3.24Å; F532-Y548 AromaticContact CE2-CD2 3.79Å; F532-Y548 HydrophobicContact CE2-CD2 3.79Å; F532-Y548 HydrophobicContact CE2-CG 4.14Å; F532-Y548 HydrophobicContact CG-CG 4.39Å; K539-Y548 HydrophobicContact CB-CD2 3.61Å; K539-Y548 HydrophobicContact CB-CE2 3.66Å; K539-Y548 VanDerWaalsContact O-CD2 3.31Å; K539-Y548 WeakPolarHBondContact O-CD2 3.47Å; K539-Y548 PolarHBondContact O-N 3.27Å; C541-Y548 WeakPolarHBondContact CA-OH 3.29Å; C541-Y548 HydrophobicContact CB-CE1 3.61Å; Y548-L554 HydrophobicContact CD1-CD1 4.17Å; Y548-L554 HydrophobicContact CD1-CD2 3.46Å; Y548-L554 VanDerWaalsContact CD1-CD2 3.46Å; Y548-L554 HydrophobicContact CD1-CG 4.47Å; Y548-L554 HydrophobicContact CD2-CD1 3.67Å; Y548-L554 HydrophobicContact CD2-CD2 4.46Å; Y548-L554 HydrophobicContact CE1-CD1 4.18Å; Y548-L554 HydrophobicContact CE1-CD2 3.33Å; Y548-L554 HydrophobicContact CE1-CG 4.41Å; Y548-L554 HydrophobicContact CE2-CD1 3.74Å; Y548-L554 HydrophobicContact CE2-CD2 4.4Å; Y548-L554 HydrophobicContact CG-CD1 3.94Å; Y548-L554 HydrophobicContact CG-CD2 4.06Å; Y548-E562 PolarHBondContact OH-O 2.94Å; Y548-Y563 VanDerWaalsContact OH-CA 3.22Å; Y548-Y563 WeakPolarHBondContact OH-CA 3.44Å; Y548-Y563 PolarHBondContact OH-N 2.96Å; Y548-H564 AromaticContact CD1-CE1 3.54Å; Y548-H564 AromaticContact CD1-NE2 3.56Å; Y548-H564 AromaticContact CE1-CE1 3.58Å; Y548-H564 AromaticContact CE1-ND1 3.64Å; Y548-H564 AromaticContact CE1-NE2 3.92Å
549	T	85.4	Confident	88.9	Confident	95 Å²	95	64.3 Å²	64.3	58%	0.583	36%	0.356	S	S	*	.			trans	-77.8	160.5	160.3	63.4	0	0	0	0	111.1	F532 E547 N552	F532-T549 WeakPolarHBondContact CD1-O 3.44Å; E547-T549 PolarHBondContact O-N 3.22Å; T549-N552 PolarHBondContact N-ND2 3.05Å; T549-N552 WeakPolarHBondContact O-CB 3.47Å; T549-N552 PolarHBondContact O-N 3.15Å; T549-N552 PolarHBondContact O-ND2 3.21Å; T549-N552 PolarHBondContact OG1-ND2 3.11Å
550	E	85.2	Confident	89.1	Confident	137 Å²	137	63.9 Å²	63.9	64%	0.64	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.3	149.6	170.3	-155.8	-157.4	161.1	0	0	112	N552	E550-N552 PolarHBondContact O-N 3.02Å; E550-N552 VanDerWaalsContact O-N 3.13Å
551	G	83.4	Confident	89.2	Confident	51 Å²	51	62 Å²	62	53%	0.526	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	76.2	-7.7	177.5	0	0	0	0	0	114.8	F532 K553	F532-G551 PolarHBondContact O-N 3.49Å; G551-K553 PolarHBondContact O-N 2.99Å
552	N	88.3	Confident	89.2	Confident	38 Å²	38	63.1 Å²	63.1	20%	0.203	36%	0.355	C	S	.	.			trans	-60.7	128.3	172.7	-84.5	-48.2	0	0	0	111.1	N531 F532 T549 E550 L554 H564	N531-N552 CarbonylContact C-O 3.6Å; N531-N552 WeakPolarHBondContact CA-O 3.31Å; F532-N552 HydrophobicContact CB-CB 4.24Å; F532-N552 PolarHBondContact N-O 3.39Å; T549-N552 PolarHBondContact N-ND2 3.05Å; T549-N552 WeakPolarHBondContact O-CB 3.47Å; T549-N552 PolarHBondContact O-N 3.15Å; T549-N552 PolarHBondContact O-ND2 3.21Å; T549-N552 PolarHBondContact OG1-ND2 3.11Å; E550-N552 PolarHBondContact O-N 3.02Å; E550-N552 VanDerWaalsContact O-N 3.13Å; N552-L554 HydrophobicContact CB-CD2 4.1Å; N552-L554 PolarHBondContact O-N 2.72Å; N552-H564 PolarHBondContact OD1-CD2 3.1Å; N552-H564 PolarHBondContact OD1-NE2 3.37Å
553	K	91.2	Very high	89.5	Confident	136 Å²	136	60.3 Å²	60.3	59%	0.591	34%	0.335	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.7	117.4	170.3	-61.2	-173	179.6	-175.6	0	109.2	G551 V565	G551-K553 PolarHBondContact O-N 2.99Å; K553-V565 HydrophobicContact CB-CB 4.39Å; K553-V565 HydrophobicContact CB-CG2 3.79Å; K553-V565 WeakPolarHBondContact O-CG2 3.37Å; K553-V565 PolarHBondContact O-N 3.11Å
554	L	92.4	Very high	89.7	Confident	0 Å²	0	58.4 Å²	58.4	0%	0	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	140	177.8	-52.2	-172.3	0	0	0	110.4	M529 R530 F532 Y548 N552 Y563	M529-L554 CarbonylContact C-O 3.55Å; M529-L554 VanDerWaalsContact CA-O 3.31Å; M529-L554 WeakPolarHBondContact CA-O 3.14Å; R530-L554 HydrophobicContact CG-CB 4.15Å; R530-L554 PolarHBondContact N-O 3.38Å; R530-L554 WeakPolarHBondContact O-CA 3.36Å; R530-L554 PolarHBondContact O-N 3.49Å; F532-L554 HydrophobicContact CB-CD1 4Å; F532-L554 HydrophobicContact CB-CG 4.29Å; F532-L554 HydrophobicContact CD2-CD1 3.8Å; F532-L554 HydrophobicContact CG-CD1 4.36Å; Y548-L554 HydrophobicContact CD1-CD1 4.17Å; Y548-L554 HydrophobicContact CD1-CD2 3.46Å; Y548-L554 VanDerWaalsContact CD1-CD2 3.46Å; Y548-L554 HydrophobicContact CD1-CG 4.47Å; Y548-L554 HydrophobicContact CD2-CD1 3.67Å; Y548-L554 HydrophobicContact CD2-CD2 4.46Å; Y548-L554 HydrophobicContact CE1-CD1 4.18Å; Y548-L554 HydrophobicContact CE1-CD2 3.33Å; Y548-L554 HydrophobicContact CE1-CG 4.41Å; Y548-L554 HydrophobicContact CE2-CD1 3.74Å; Y548-L554 HydrophobicContact CE2-CD2 4.4Å; Y548-L554 HydrophobicContact CG-CD1 3.94Å; Y548-L554 HydrophobicContact CG-CD2 4.06Å; N552-L554 HydrophobicContact CB-CD2 4.1Å; N552-L554 PolarHBondContact O-N 2.72Å; L554-Y563 CarbonylContact C-O 3.58Å; L554-Y563 WeakPolarHBondContact CA-O 3.32Å
555	R	91.8	Very high	89.8	Confident	1 Å²	1	57.2 Å²	57.2	0%	0.004	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	134.6	170.6	-162.5	179.8	-71.4	-86.3	24.9	108.8	I524 D525 L527 A528 M529 Y563 V565 I568 D569	I524-R555 VanDerWaalsContact O-CZ 3.25Å; I524-R555 PolarHBondContact O-NH1 3.21Å; D525-R555 PolarHBondContact O-NH1 2.79Å; D525-R555 IonicContact OD1-CZ 3.62Å; D525-R555 IonicContact OD1-NH2 2.88Å; D525-R555 PolarHBondContact OD1-NH2 3.07Å; L527-R555 HydrophobicContact CB-CG 3.9Å; L527-R555 PolarHBondContact O-NH1 2.7Å; A528-R555 WeakPolarHBondContact O-CA 3.2Å; M529-R555 HydrophobicContact CG-CB 4.44Å; M529-R555 HydrophobicContact CG-CG 4.24Å; R555-Y563 PolarHBondContact N-O 2.78Å; R555-Y563 PolarHBondContact O-N 3.43Å; R555-Y563 VanDerWaalsContact O-N 3.09Å; R555-V565 HydrophobicContact CB-CG2 4.01Å; R555-I568 HydrophobicContact CB-CG2 3.82Å; R555-D569 VanDerWaalsContact CD-OD1 3.31Å; R555-D569 WeakPolarHBondContact CD-OD1 3.37Å; R555-D569 IonicContact CZ-OD1 2.78Å; R555-D569 IonicContact CZ-OD2 3.71Å; R555-D569 IonicContact NE-OD1 3.5Å; R555-D569 PolarHBondContact NE-OD1 2.74Å; R555-D569 IonicContact NE-OD2 3.21Å; R555-D569 IonicContact NH2-OD1 2.79Å; R555-D569 PolarHBondContact NH2-OD1 3.03Å; R555-D569 IonicContact NH2-OD2 2.76Å; R555-D569 PolarHBondContact NH2-OD2 3.33Å
556	K	91.4	Very high	89.8	Confident	84 Å²	84	56.9 Å²	56.9	37%	0.365	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	121.1	-178	-173.3	168.4	-165.4	147.8	0	109.4	A528 S560 H561 E562	A528-K556 PolarHBondContact O-N 3.5Å; K556-S560 WeakPolarHBondContact CE-O 3.49Å; K556-H561 WeakPolarHBondContact CA-O 3.28Å; K556-E562 HydrophobicContact CB-CG 4.28Å; K556-E562 HydrophobicContact CD-CG 4.13Å; K556-E562 WeakPolarHBondContact CD-OE1 3.34Å; K556-E562 WeakPolarHBondContact CE-OE1 3.42Å; K556-E562 HydrophobicContact CG-CG 3.96Å; K556-E562 IonicContact NZ-OE1 2.82Å; K556-E562 PolarHBondContact NZ-OE1 3.36Å
557	L	91.4	Very high	90	Very high	4 Å²	4	54 Å²	54	2%	0.021	29%	0.291	C	S	.	.			trans	-77.7	156.2	176.9	-57	-173.4	0	0	0	110.3	L527 C559 S560 H561 Y563 I568 L572 C578 V585	L527-L557 HydrophobicContact CD1-CD2 4Å; L557-C559 VanDerWaalsContact CB-SG 3.53Å; L557-C559 PolarHBondContact O-N 3Å; L557-C559 VanDerWaalsContact O-N 3.1Å; L557-S560 WeakPolarHBondContact O-CA 3.45Å; L557-S560 PolarHBondContact O-N 3.42Å; L557-H561 PolarHBondContact N-O 2.67Å; L557-Y563 HydrophobicContact CD1-CD2 4.18Å; L557-Y563 HydrophobicContact CD1-CE2 3.55Å; L557-Y563 HydrophobicContact CG-CD2 4.21Å; L557-Y563 HydrophobicContact CG-CE2 3.97Å; L557-I568 HydrophobicContact CD1-CD1 4.2Å; L557-I568 HydrophobicContact CD1-CG1 4.42Å; L557-I568 HydrophobicContact CD2-CG1 4.08Å; L557-L572 HydrophobicContact CD2-CD1 4.03Å; L557-C578 HydrophobicContact CD1-CB 3.7Å; L557-V585 HydrophobicContact CD1-CG2 3.9Å; L557-V585 HydrophobicContact CD2-CG1 4.03Å; L557-V585 HydrophobicContact CD2-CG2 4.18Å; L557-V585 HydrophobicContact CG-CG2 4.48Å
558	P	88.4	Confident	90.2	Very high	96 Å²	96	47.9 Å²	47.9	62%	0.623	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.3	-22.1	176.2	23	-33.5	0	0	0	113.2	S560 V585	P558-S560 PolarHBondContact O-N 3.14Å; P558-S560 VanDerWaalsContact O-N 3.16Å; P558-V585 WeakPolarHBondContact CG-O 3.15Å
559	C	88.4	Confident	90.3	Very high	15 Å²	15	49.2 Å²	49.2	10%	0.101	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.5	14.1	169.6	64.2	0	0	0	0	114.5	L557 H561 C578 C581	L557-C559 VanDerWaalsContact CB-SG 3.53Å; L557-C559 PolarHBondContact O-N 3Å; L557-C559 VanDerWaalsContact O-N 3.1Å; C559-H561 PolarHBondContact O-N 2.69Å; C559-H561 PolarHBondContact O-ND1 3.09Å; C559-H561 VanDerWaalsContact O-ND1 3.11Å; C559-H561 PolarHBondContact SG-ND1 2.84Å; C559-C578 PolarHBondContact SG-SG 3.2Å; C559-C581 VanDerWaalsContact SG-SG 3.67Å
560	S	88.2	Confident	90.5	Very high	79 Å²	79	52.6 Å²	52.6	55%	0.552	27%	0.272	S	S	*	.	S	Bend	trans	68.6	-7.9	-179.5	74.8	0	0	0	0	118.1	K556 L557 P558	K556-S560 WeakPolarHBondContact CE-O 3.49Å; L557-S560 WeakPolarHBondContact O-CA 3.45Å; L557-S560 PolarHBondContact O-N 3.42Å; P558-S560 PolarHBondContact O-N 3.14Å; P558-S560 VanDerWaalsContact O-N 3.16Å
561	H	90.5	Very high	90.8	Very high	46 Å²	46	50.3 Å²	50.3	21%	0.213	26%	0.258	C	S	.	.			trans	-69.2	144.3	177.3	-61.7	93.6	0	0	0	112.3	K556 L557 C559 Y563 I580 C581	K556-H561 WeakPolarHBondContact CA-O 3.28Å; L557-H561 PolarHBondContact N-O 2.67Å; C559-H561 PolarHBondContact O-N 2.69Å; C559-H561 PolarHBondContact O-ND1 3.09Å; C559-H561 VanDerWaalsContact O-ND1 3.11Å; C559-H561 PolarHBondContact SG-ND1 2.84Å; H561-Y563 HydrophobicContact CB-CE2 3.68Å; H561-I580 HydrophobicContact CB-CD1 4.44Å; H561-I580 WeakPolarHBondContact NE2-CG2 3.16Å; H561-C581 VanDerWaalsContact CE1-SG 3.52Å
562	E	92.1	Very high	91.1	Very high	24 Å²	24	47.9 Å²	47.9	11%	0.112	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	135.9	-171.5	-58.5	-179.4	150.5	0	0	110.1	R530 K539 Y548 K556	R530-E562 IonicContact CZ-OE1 3.51Å; R530-E562 IonicContact CZ-OE2 2.74Å; R530-E562 VanDerWaalsContact NE-CD 3.34Å; R530-E562 IonicContact NE-OE1 2.68Å; R530-E562 PolarHBondContact NE-OE1 3.46Å; R530-E562 IonicContact NE-OE2 2.73Å; R530-E562 PolarHBondContact NE-OE2 2.9Å; R530-E562 IonicContact NH2-OE1 3.21Å; R530-E562 IonicContact NH2-OE2 3.58Å; R530-E562 PolarHBondContact NH2-OE2 2.87Å; K539-E562 IonicContact NZ-OE2 2.75Å; K539-E562 PolarHBondContact NZ-OE2 2.9Å; Y548-E562 PolarHBondContact OH-O 2.94Å; K556-E562 HydrophobicContact CB-CG 4.28Å; K556-E562 HydrophobicContact CD-CG 4.13Å; K556-E562 WeakPolarHBondContact CD-OE1 3.34Å; K556-E562 WeakPolarHBondContact CE-OE1 3.42Å; K556-E562 HydrophobicContact CG-CG 3.96Å; K556-E562 IonicContact NZ-OE1 2.82Å; K556-E562 PolarHBondContact NZ-OE1 3.36Å
563	Y	94.2	Very high	91	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	158	-175.7	-55.8	-86	0	0	0	110.5	V543 Y548 L554 R555 L557 H561 V565 I568 C578 P579 I580	V543-Y563 HydrophobicContact CG2-CD1 3.8Å; V543-Y563 HydrophobicContact CG2-CE1 4.06Å; Y548-Y563 VanDerWaalsContact OH-CA 3.22Å; Y548-Y563 WeakPolarHBondContact OH-CA 3.44Å; Y548-Y563 PolarHBondContact OH-N 2.96Å; L554-Y563 CarbonylContact C-O 3.58Å; L554-Y563 WeakPolarHBondContact CA-O 3.32Å; R555-Y563 PolarHBondContact N-O 2.78Å; R555-Y563 PolarHBondContact O-N 3.43Å; R555-Y563 VanDerWaalsContact O-N 3.09Å; L557-Y563 HydrophobicContact CD1-CD2 4.18Å; L557-Y563 HydrophobicContact CD1-CE2 3.55Å; L557-Y563 HydrophobicContact CG-CD2 4.21Å; L557-Y563 HydrophobicContact CG-CE2 3.97Å; H561-Y563 HydrophobicContact CB-CE2 3.68Å; Y563-V565 PolarHBondContact O-N 3.25Å; Y563-I568 HydrophobicContact CD2-CB 4.12Å; Y563-I568 HydrophobicContact CD2-CD1 3.88Å; Y563-I568 HydrophobicContact CD2-CG1 3.82Å; Y563-I568 HydrophobicContact CE2-CD1 4.06Å; Y563-I568 HydrophobicContact CE2-CG1 4.42Å; Y563-I568 HydrophobicContact CG-CB 3.96Å; Y563-I568 HydrophobicContact CG-CD1 4.17Å; Y563-I568 HydrophobicContact CG-CG1 4.15Å; Y563-C578 PolarHBondContact OH-SG 2.83Å; Y563-P579 HydrophobicContact CE1-CB 4.23Å; Y563-P579 HydrophobicContact CE1-CG 4.13Å; Y563-I580 HydrophobicContact CE1-CD1 4.03Å; Y563-I580 HydrophobicContact CE1-CG1 4.34Å; Y563-I580 WeakPolarHBondContact OH-CD1 3.29Å; Y563-I580 VanDerWaalsContact OH-CG1 3.29Å; Y563-I580 WeakPolarHBondContact OH-CG1 3.42Å; Y563-I580 PolarHBondContact OH-N 3.3Å
564	H	93.6	Very high	90.6	Very high	20 Å²	20	48.4 Å²	48.4	9%	0.093	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.8	134.2	163.4	-64.7	102.2	0	0	0	110.4	C541 C544 Y548 N552 H566 C567 I568	C541-H564 VanDerWaalsContact CB-ND1 3.28Å; C541-H564 WeakPolarHBondContact CB-ND1 3.31Å; C541-H564 PolarHBondContact SG-ND1 2.86Å; C541-H564 VanDerWaalsContact SG-ND1 3.43Å; C544-H564 PolarHBondContact SG-ND1 3.22Å; Y548-H564 AromaticContact CD1-CE1 3.54Å; Y548-H564 AromaticContact CD1-NE2 3.56Å; Y548-H564 AromaticContact CE1-CE1 3.58Å; Y548-H564 AromaticContact CE1-ND1 3.64Å; Y548-H564 AromaticContact CE1-NE2 3.92Å; N552-H564 PolarHBondContact OD1-CD2 3.1Å; N552-H564 PolarHBondContact OD1-NE2 3.37Å; H564-H566 VanDerWaalsContact C-N 3.35Å; H564-H566 PolarHBondContact O-N 3.36Å; H564-C567 HydrophobicContact CB-CB 4.2Å; H564-C567 PolarHBondContact O-N 2.79Å; H564-I568 PolarHBondContact O-N 3.37Å; H564-I568 VanDerWaalsContact O-N 3.12Å
565	V	92.9	Very high	90.2	Very high	24 Å²	24	50.9 Å²	50.9	15%	0.145	26%	0.257	C	S	.	.	H	α-helix	trans	-47.2	-55.6	178.3	170.1	0	0	0	0	110.9	M529 K553 R555 Y563 C567 I568 D569	M529-V565 HydrophobicContact CG-CG2 4.07Å; M529-V565 HydrophobicContact SD-CG2 4Å; K553-V565 HydrophobicContact CB-CB 4.39Å; K553-V565 HydrophobicContact CB-CG2 3.79Å; K553-V565 WeakPolarHBondContact O-CG2 3.37Å; K553-V565 PolarHBondContact O-N 3.11Å; R555-V565 HydrophobicContact CB-CG2 4.01Å; Y563-V565 PolarHBondContact O-N 3.25Å; V565-C567 PolarHBondContact O-N 3.08Å; V565-C567 VanDerWaalsContact O-N 3.12Å; V565-I568 PolarHBondContact O-N 2.93Å; V565-D569 WeakPolarHBondContact CG1-OD2 3.16Å; V565-D569 VanDerWaalsContact O-CB 3.23Å; V565-D569 WeakPolarHBondContact O-CB 3.38Å; V565-D569 PolarHBondContact O-N 3.31Å
566	H	91.2	Very high	90	Very high	140 Å²	140	53.2 Å²	53.2	65%	0.648	27%	0.274	S	S	*	.	H	α-helix	trans	-52.1	-39.6	178.9	138.5	55.2	0	0	0	113.8	H564	H564-H566 VanDerWaalsContact C-N 3.35Å; H564-H566 PolarHBondContact O-N 3.36Å
567	C	92.6	Very high	89.9	Confident	10 Å²	10	51.3 Å²	51.3	7%	0.068	27%	0.269	C	S	.	.	H	α-helix	trans	-78	-43.2	-172.9	-59	0	0	0	0	111.7	V543 C544 H564 V565 W571	V543-C567 HydrophobicContact CB-CB 3.98Å; V543-C567 HydrophobicContact CG1-CB 3.83Å; C544-C567 VanDerWaalsContact SG-SG 3.66Å; H564-C567 HydrophobicContact CB-CB 4.2Å; H564-C567 PolarHBondContact O-N 2.79Å; V565-C567 PolarHBondContact O-N 3.08Å; V565-C567 VanDerWaalsContact O-N 3.12Å; C567-W571 PolarHBondContact O-N 2.81Å
568	I	92.7	Very high	89.9	Confident	0 Å²	0	51.1 Å²	51.1	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-79.8	-31.9	180	-168	61.4	0	0	0	112.3	R555 L557 Y563 H564 V565 R570 W571 L572 P579	R555-I568 HydrophobicContact CB-CG2 3.82Å; L557-I568 HydrophobicContact CD1-CD1 4.2Å; L557-I568 HydrophobicContact CD1-CG1 4.42Å; L557-I568 HydrophobicContact CD2-CG1 4.08Å; Y563-I568 HydrophobicContact CD2-CB 4.12Å; Y563-I568 HydrophobicContact CD2-CD1 3.88Å; Y563-I568 HydrophobicContact CD2-CG1 3.82Å; Y563-I568 HydrophobicContact CE2-CD1 4.06Å; Y563-I568 HydrophobicContact CE2-CG1 4.42Å; Y563-I568 HydrophobicContact CG-CB 3.96Å; Y563-I568 HydrophobicContact CG-CD1 4.17Å; Y563-I568 HydrophobicContact CG-CG1 4.15Å; H564-I568 PolarHBondContact O-N 3.37Å; H564-I568 VanDerWaalsContact O-N 3.12Å; V565-I568 PolarHBondContact O-N 2.93Å; I568-R570 VanDerWaalsContact C-N 3.31Å; I568-R570 PolarHBondContact O-N 3.17Å; I568-W571 HydrophobicContact CD1-CB 4.27Å; I568-W571 HydrophobicContact CD1-CG 4.3Å; I568-W571 PolarHBondContact O-N 2.91Å; I568-L572 HydrophobicContact CD1-CD1 4.47Å; I568-L572 HydrophobicContact CD1-CD2 4.49Å; I568-L572 HydrophobicContact CD1-CG 4.15Å; I568-L572 HydrophobicContact CG1-CD1 3.86Å; I568-L572 HydrophobicContact CG1-CG 4Å; I568-L572 WeakPolarHBondContact O-CB 3.39Å; I568-L572 VanDerWaalsContact O-CG 3.27Å; I568-L572 WeakPolarHBondContact O-CG 3.47Å; I568-L572 PolarHBondContact O-N 2.88Å; I568-P579 HydrophobicContact CD1-CG 3.72Å
569	D	90.8	Very high	89.9	Confident	34 Å²	34	48.4 Å²	48.4	18%	0.182	25%	0.25	C	S	.	.	H	α-helix	trans	-64.3	-39.7	178	-67.4	13.9	0	0	0	111.1	I524 R555 V565 L572 S573	I524-D569 HydrophobicContact CG2-CB 3.98Å; I524-D569 VanDerWaalsContact CG2-CG 3.49Å; I524-D569 WeakPolarHBondContact CG2-OD1 3.25Å; R555-D569 VanDerWaalsContact CD-OD1 3.31Å; R555-D569 WeakPolarHBondContact CD-OD1 3.37Å; R555-D569 IonicContact CZ-OD1 2.78Å; R555-D569 IonicContact CZ-OD2 3.71Å; R555-D569 IonicContact NE-OD1 3.5Å; R555-D569 PolarHBondContact NE-OD1 2.74Å; R555-D569 IonicContact NE-OD2 3.21Å; R555-D569 IonicContact NH2-OD1 2.79Å; R555-D569 PolarHBondContact NH2-OD1 3.03Å; R555-D569 IonicContact NH2-OD2 2.76Å; R555-D569 PolarHBondContact NH2-OD2 3.33Å; V565-D569 WeakPolarHBondContact CG1-OD2 3.16Å; V565-D569 VanDerWaalsContact O-CB 3.23Å; V565-D569 WeakPolarHBondContact O-CB 3.38Å; V565-D569 PolarHBondContact O-N 3.31Å; D569-L572 PolarHBondContact O-N 3.01Å; D569-S573 PolarHBondContact O-N 3.27Å; D569-S573 PolarHBondContact O-OG 2.7Å
570	R	90.3	Very high	89.9	Confident	166 Å²	166	52 Å²	52	63%	0.626	27%	0.268	S	S	*	.	H	α-helix	trans	-64.2	-44	172.5	-179.2	177.1	175.9	-174.7	-3.1	112.1	I568 L572 S573 E574	I568-R570 VanDerWaalsContact C-N 3.31Å; I568-R570 PolarHBondContact O-N 3.17Å; R570-L572 VanDerWaalsContact C-N 3.31Å; R570-L572 PolarHBondContact O-N 2.98Å; R570-S573 PolarHBondContact O-N 2.83Å; R570-S573 PolarHBondContact O-OG 3.41Å; R570-E574 IonicContact NE-OE1 2.7Å
571	W	91.6	Very high	89.9	Confident	89 Å²	89	49.9 Å²	49.9	34%	0.337	25%	0.253	S	S	.	.	H	α-helix	trans	-61.2	-43.2	175.9	173.7	-90.1	0	0	0	111.2	C567 I568 E574 N575 T577 P579	C567-W571 PolarHBondContact O-N 2.81Å; I568-W571 HydrophobicContact CD1-CB 4.27Å; I568-W571 HydrophobicContact CD1-CG 4.3Å; I568-W571 PolarHBondContact O-N 2.91Å; W571-E574 CarbonylContact O-C 3.59Å; W571-E574 PolarHBondContact O-N 3.44Å; W571-E574 VanDerWaalsContact O-N 3.13Å; W571-N575 HydrophobicContact CD2-CB 4.44Å; W571-N575 HydrophobicContact CZ2-CB 4.07Å; W571-N575 PolarHBondContact O-N 3.23Å; W571-N575 PolarHBondContact O-ND2 2.68Å; W571-T577 PolarHBondContact NE1-O 3.26Å; W571-P579 HydrophobicContact CD2-CG 4.05Å; W571-P579 HydrophobicContact CG-CG 3.95Å
572	L	89.3	Confident	89.7	Confident	0 Å²	0	57.8 Å²	57.8	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-73.3	-26.6	-177.2	-67.9	177.5	0	0	0	113.8	G518 L519 I524 L527 L557 I568 D569 R570 E574 N575 V585	G518-L572 CarbonylContact C-O 3.43Å; G518-L572 VanDerWaalsContact CA-O 3.26Å; G518-L572 WeakPolarHBondContact CA-O 3.49Å; L519-L572 HydrophobicContact CD1-CB 4.41Å; L519-L572 HydrophobicContact CD1-CD1 4.31Å; L519-L572 HydrophobicContact CD1-CD2 4.21Å; L519-L572 PolarHBondContact N-O 3.19Å; I524-L572 HydrophobicContact CD1-CB 3.68Å; I524-L572 HydrophobicContact CG1-CB 3.8Å; I524-L572 HydrophobicContact CG1-CD1 4.36Å; I524-L572 HydrophobicContact CG2-CD1 4.43Å; L527-L572 HydrophobicContact CD1-CD1 3.64Å; L557-L572 HydrophobicContact CD2-CD1 4.03Å; I568-L572 HydrophobicContact CD1-CD1 4.47Å; I568-L572 HydrophobicContact CD1-CD2 4.49Å; I568-L572 HydrophobicContact CD1-CG 4.15Å; I568-L572 HydrophobicContact CG1-CD1 3.86Å; I568-L572 HydrophobicContact CG1-CG 4Å; I568-L572 WeakPolarHBondContact O-CB 3.39Å; I568-L572 VanDerWaalsContact O-CG 3.27Å; I568-L572 WeakPolarHBondContact O-CG 3.47Å; I568-L572 PolarHBondContact O-N 2.88Å; D569-L572 PolarHBondContact O-N 3.01Å; R570-L572 VanDerWaalsContact C-N 3.31Å; R570-L572 PolarHBondContact O-N 2.98Å; L572-E574 PolarHBondContact O-N 3.35Å; L572-N575 VanDerWaalsContact CA-O 3.31Å; L572-N575 WeakPolarHBondContact CA-O 3.38Å; L572-N575 WeakPolarHBondContact CD2-O 3.46Å; L572-V585 HydrophobicContact CD1-CG1 4.3Å; L572-V585 HydrophobicContact CD2-CB 4.27Å; L572-V585 HydrophobicContact CD2-CG1 4.42Å; L572-V585 HydrophobicContact CD2-CG2 3.89Å
573	S	86	Confident	89.3	Confident	71 Å²	71	64 Å²	64	50%	0.497	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67	-15	169.3	55.4	0	0	0	0	113.7	D569 R570	D569-S573 PolarHBondContact O-N 3.27Å; D569-S573 PolarHBondContact O-OG 2.7Å; R570-S573 PolarHBondContact O-N 2.83Å; R570-S573 PolarHBondContact O-OG 3.41Å
574	E	83.1	Confident	88.9	Confident	113 Å²	113	66.8 Å²	66.8	53%	0.528	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111.4	-24.7	178.7	-64	172.1	-155.5	0	0	112.1	R570 W571 L572	R570-E574 IonicContact NE-OE1 2.7Å; W571-E574 CarbonylContact O-C 3.59Å; W571-E574 PolarHBondContact O-N 3.44Å; W571-E574 VanDerWaalsContact O-N 3.13Å; L572-E574 PolarHBondContact O-N 3.35Å
575	N	84.6	Confident	88.5	Confident	53 Å²	53	66.1 Å²	66.1	28%	0.283	32%	0.323	S	S	.	.			trans	-143.7	132.7	-171.5	-57.1	-99.6	0	0	0	112.8	R517 W571 L572 T577	R517-N575 CarbonylContact O-C 3.59Å; W571-N575 HydrophobicContact CD2-CB 4.44Å; W571-N575 HydrophobicContact CZ2-CB 4.07Å; W571-N575 PolarHBondContact O-N 3.23Å; W571-N575 PolarHBondContact O-ND2 2.68Å; L572-N575 VanDerWaalsContact CA-O 3.31Å; L572-N575 WeakPolarHBondContact CA-O 3.38Å; L572-N575 WeakPolarHBondContact CD2-O 3.46Å; N575-T577 VanDerWaalsContact C-N 3.26Å; N575-T577 PolarHBondContact O-N 3.09Å
576	S	86.9	Confident	87.8	Confident	50 Å²	50	68.4 Å²	68.4	35%	0.35	33%	0.334	S	S	.	.	S	Bend	trans	-78.1	7.4	177.8	62.1	0	0	0	0	116.3	R517 V585	R517-S576 PolarHBondContact O-N 3.46Å; S576-V585 PolarHBondContact O-N 3.03Å
577	T	89.3	Confident	86.3	Confident	43 Å²	43	66.3 Å²	66.3	26%	0.264	34%	0.341	S	S	.	.	B	Isolated β-bridge	trans	-122.4	156.1	-167.5	62.8	0	0	0	0	114.7	W571 N575 R582 R583	W571-T577 PolarHBondContact NE1-O 3.26Å; N575-T577 VanDerWaalsContact C-N 3.26Å; N575-T577 PolarHBondContact O-N 3.09Å; T577-R582 WeakPolarHBondContact CB-O 3.42Å; T577-R582 WeakPolarHBondContact CG2-O 3.46Å; T577-R583 WeakPolarHBondContact CA-O 3.4Å
578	C	91	Very high	84.1	Confident	0 Å²	0	71.7 Å²	71.7	0%	0	38%	0.379	C	S	.	.			trans	-73.8	128.6	176.8	168.8	0	0	0	0	112.7	L557 C559 Y563 I580 C581 R582 R583 V585	L557-C578 HydrophobicContact CD1-CB 3.7Å; C559-C578 PolarHBondContact SG-SG 3.2Å; Y563-C578 PolarHBondContact OH-SG 2.83Å; C578-I580 VanDerWaalsContact C-N 3.29Å; C578-I580 PolarHBondContact O-N 3.38Å; C578-I580 VanDerWaalsContact O-N 3.17Å; C578-I580 PolarHBondContact SG-N 2.98Å; C578-C581 PolarHBondContact SG-SG 3.36Å; C578-R582 VanDerWaalsContact O-CA 3.23Å; C578-R582 WeakPolarHBondContact O-CA 3.45Å; C578-R582 PolarHBondContact O-N 3.42Å; C578-R583 PolarHBondContact N-O 3.33Å; C578-V585 HydrophobicContact CB-CG2 4.47Å
579	P	89.7	Confident	81.7	Confident	40 Å²	40	75.4 Å²	75.4	26%	0.26	42%	0.417	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.1	-33.6	178.8	-28.4	33.3	0	0	0	116.1	V543 Y563 I568 W571	V543-P579 HydrophobicContact CG2-CB 4.48Å; V543-P579 HydrophobicContact CG2-CG 4.18Å; Y563-P579 HydrophobicContact CE1-CB 4.23Å; Y563-P579 HydrophobicContact CE1-CG 4.13Å; I568-P579 HydrophobicContact CD1-CG 3.72Å; W571-P579 HydrophobicContact CD2-CG 4.05Å; W571-P579 HydrophobicContact CG-CG 3.95Å
580	I	88.2	Confident	79.2	Confident	90 Å²	90	80.1 Å²	80.1	46%	0.462	44%	0.443	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.8	-44.5	-174.9	-68.2	167.4	0	0	0	112.1	S542 H561 Y563 C578	S542-I580 WeakPolarHBondContact OG-CG1 3.33Å; H561-I580 HydrophobicContact CB-CD1 4.44Å; H561-I580 WeakPolarHBondContact NE2-CG2 3.16Å; Y563-I580 HydrophobicContact CE1-CD1 4.03Å; Y563-I580 HydrophobicContact CE1-CG1 4.34Å; Y563-I580 WeakPolarHBondContact OH-CD1 3.29Å; Y563-I580 VanDerWaalsContact OH-CG1 3.29Å; Y563-I580 WeakPolarHBondContact OH-CG1 3.42Å; Y563-I580 PolarHBondContact OH-N 3.3Å; C578-I580 VanDerWaalsContact C-N 3.29Å; C578-I580 PolarHBondContact O-N 3.38Å; C578-I580 VanDerWaalsContact O-N 3.17Å; C578-I580 PolarHBondContact SG-N 2.98Å
581	C	87.1	Confident	76.7	Confident	35 Å²	35	84.1 Å²	84.1	24%	0.236	46%	0.458	C	S	.	.	T	Hydrogen-bonded Turn	trans	-116.1	3.1	-171.3	69.1	0	0	0	0	115.1	C559 H561 C578 R583	C559-C581 VanDerWaalsContact SG-SG 3.67Å; H561-C581 VanDerWaalsContact CE1-SG 3.52Å; C578-C581 PolarHBondContact SG-SG 3.36Å; C581-R583 HydrophobicContact CB-CG 4.46Å; C581-R583 PolarHBondContact O-N 3.24Å
582	R	86.1	Confident	74.3	Confident	212 Å²	212	87.7 Å²	87.7	80%	0.8	48%	0.478	S	S	*	.			trans	54.9	0.1	179.8	-60.2	-174	179.8	-171.5	-0.6	117.1	T577 C578	T577-R582 WeakPolarHBondContact CB-O 3.42Å; T577-R582 WeakPolarHBondContact CG2-O 3.46Å; C578-R582 VanDerWaalsContact O-CA 3.23Å; C578-R582 WeakPolarHBondContact O-CA 3.45Å; C578-R582 PolarHBondContact O-N 3.42Å
583	R	84.3	Confident	71.9	Confident	154 Å²	154	92.9 Å²	92.9	58%	0.581	52%	0.515	S	S	*	.			trans	-58.4	140.4	172	-60.6	178.4	-167.6	143	5.6	110.1	T577 C578 C581	T577-R583 WeakPolarHBondContact CA-O 3.4Å; C578-R583 PolarHBondContact N-O 3.33Å; C581-R583 HydrophobicContact CB-CG 4.46Å; C581-R583 PolarHBondContact O-N 3.24Å
584	A	86.4	Confident	69.8	Low	59 Å²	59	95.9 Å²	95.9	49%	0.488	53%	0.53	S	S	.	.	B	Isolated β-bridge	trans	-58.1	144.2	171	0	0	0	0	0	110.8	L586	A584-L586 WeakPolarHBondContact CB-O 3.46Å
585	V	84.3	Confident	67.7	Low	5 Å²	5	100.3 Å²	100.3	3%	0.03	56%	0.564	C	S	.	*	S	Bend	trans	-90.9	-22.9	-177.2	170.2	0	0	0	0	112.2	L519 L527 L557 P558 L572 S576 C578	L519-V585 HydrophobicContact CD1-CB 4.03Å; L519-V585 HydrophobicContact CD1-CG1 3.76Å; L527-V585 HydrophobicContact CD1-CG1 3.58Å; L527-V585 HydrophobicContact CD2-CG1 3.73Å; L527-V585 HydrophobicContact CG-CG1 4.3Å; L557-V585 HydrophobicContact CD1-CG2 3.9Å; L557-V585 HydrophobicContact CD2-CG1 4.03Å; L557-V585 HydrophobicContact CD2-CG2 4.18Å; L557-V585 HydrophobicContact CG-CG2 4.48Å; P558-V585 WeakPolarHBondContact CG-O 3.15Å; L572-V585 HydrophobicContact CD1-CG1 4.3Å; L572-V585 HydrophobicContact CD2-CB 4.27Å; L572-V585 HydrophobicContact CD2-CG1 4.42Å; L572-V585 HydrophobicContact CD2-CG2 3.89Å; S576-V585 PolarHBondContact O-N 3.03Å; C578-V585 HydrophobicContact CB-CG2 4.47Å
586	L	79.4	Confident	66.9	Low	72 Å²	72	102.7 Å²	102.7	38%	0.377	58%	0.578	S	S	.	*	S	Bend	trans	-101.6	141.9	158.4	-62	-177.9	0	0	0	109.2	L519 Q523 A584	L519-L586 HydrophobicContact CD1-CG 4.5Å; L519-L586 HydrophobicContact CD2-CD1 3.66Å; L519-L586 HydrophobicContact CD2-CG 3.76Å; Q523-L586 HydrophobicContact CB-CD1 4.33Å; Q523-L586 HydrophobicContact CG-CD1 4.09Å; A584-L586 WeakPolarHBondContact CB-O 3.46Å
587	A	59.7	Low	65.8	Low	96 Å²	96	105.4 Å²	105.4	79%	0.793	59%	0.59	S	S	*	*			trans	-82	125	165.2	0	0	0	0	0	108.7	G589	A587-G589 PolarHBondContact O-N 3.12Å
588	S	45.9	Very low	64.5	Low	124 Å²	124	108.9 Å²	108.9	87%	0.867	61%	0.608	S	S	*	*			trans	-69.7	83.1	168.9	-56.2	0	0	0	0	109.2	N590	S588-N590 VanDerWaalsContact C-N 3.32Å; S588-N590 PolarHBondContact O-N 3.15Å
589	G	42.2	Very low	63	Low	78 Å²	78	115.3 Å²	115.3	80%	0.804	64%	0.643	S	S	*	*			trans	-74	74	-170.6	0	0	0	0	0	114	A587	A587-G589 PolarHBondContact O-N 3.12Å
590	N	37.5	Very low	61.3	Low	133 Å²	133	120 Å²	120	71%	0.711	67%	0.667	S	S	*	*			trans	-152	79.9	150.3	-158	-7.7	0	0	0	113	S588	S588-N590 VanDerWaalsContact C-N 3.32Å; S588-N590 PolarHBondContact O-N 3.15Å
591	R	38.3	Very low	59.5	Low	250 Å²	250	122 Å²	122	94%	0.943	68%	0.681	S	S	*	*			trans	-137	69.5	151.5	-79.6	-164	166.3	177.6	-4.5	107.8	S593	R591-S593 PolarHBondContact O-N 3.4Å
592	E	40.9	Very low	57.5	Low	163 Å²	163	128.2 Å²	128.2	76%	0.762	71%	0.713	S	S	*	*			trans	-51.9	125.1	172.7	-163.9	81.7	170.8	0	0	109.4	V594	E592-V594 PolarHBondContact O-N 3.33Å; E592-V594 VanDerWaalsContact O-N 3.07Å
593	S	40	Very low	55.3	Low	110 Å²	110	121.8 Å²	121.8	77%	0.769	71%	0.706	S	S	*	*			trans	-78	91.1	175.9	55	0	0	0	0	109.9	R591	R591-S593 PolarHBondContact O-N 3.4Å
594	V	42.1	Very low	52.9	Low	134 Å²	134	119.1 Å²	119.1	81%	0.812	72%	0.717	S	S	*	*			trans	-75.1	133.4	164	-175.8	0	0	0	0	108.5	E592	E592-V594 PolarHBondContact O-N 3.33Å; E592-V594 VanDerWaalsContact O-N 3.07Å
595	V	38.3	Very low	49.9	Very low	205 Å²	205	124.5 Å²	124.5	100%	1.242	74%	0.737	S	S	*	*			trans	-84.5	0	-172.7	-179.9	0	0	0	0	111.5

Retrieved 595 of 595 residues in 86.6 ms (Link to these results)

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