A0A087Y9J9_POEFO Loading...

Neurexophilin and PC-esterase domain family, member 3

AlphaFold DB , UniProt , Accession A0A087Y9J9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 576 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	39.8	Very low	60.8	Low	244 Å²	244	149.1 Å²	149.1	100%	1.202	77%	0.768	S	S	*	*				0	87	0	-81.2	166	72.2	0	0	108.9
2	C	41.8	Very low	62.4	Low	140 Å²	140	148.8 Å²	148.8	95%	0.946	76%	0.757	S	S	*	*			trans	-98	111	172.5	-69.6	0	0	0	0	108.1
3	R	47.8	Very low	63.9	Low	249 Å²	249	146.3 Å²	146.3	94%	0.94	75%	0.746	S	S	*	*			trans	-83.9	127.2	175.2	-99.5	179.2	169.5	175.5	-3.2	109.3
4	N	55.6	Low	65.5	Low	153 Å²	153	146.4 Å²	146.4	82%	0.818	74%	0.739	S	S	*	*			trans	-41.2	140.2	174.2	-94.6	-28.4	0	0	0	113.7	S6	N4-S6 PolarHBondContact O-N 3.07Å
5	P	55.1	Low	66.8	Low	113 Å²	113	143.7 Å²	143.7	73%	0.734	73%	0.726	S	S	*	*			trans	-65	136	166.3	28.7	-30.5	0	0	0	109.2	K7	P5-K7 PolarHBondContact O-N 3.04Å
6	S	67.1	Low	67.6	Low	79 Å²	79	139.3 Å²	139.3	55%	0.552	71%	0.713	S	S	*	*			trans	-49.4	130.2	-176.6	177.9	0	0	0	0	111.7	N4 Y8 A9	N4-S6 PolarHBondContact O-N 3.07Å; S6-Y8 PolarHBondContact O-N 3.1Å; S6-A9 WeakPolarHBondContact O-CB 3.19Å; S6-A9 PolarHBondContact O-N 3.35Å
7	K	65.8	Low	68.9	Low	201 Å²	201	136.7 Å²	136.7	87%	0.874	70%	0.7	S	S	*	*	T	Hydrogen-bonded Turn	trans	-53.3	-10.9	177.3	-76.2	-176.7	174.9	-178.2	0	114.2	P5	P5-K7 PolarHBondContact O-N 3.04Å
8	Y	70.3	Confident	69.8	Low	148 Å²	148	132.8 Å²	132.8	58%	0.58	69%	0.687	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104	-3.6	-178.5	-56.3	-72.1	0	0	0	114.3	S6 L10 L11 F12	S6-Y8 PolarHBondContact O-N 3.1Å; Y8-L10 VanDerWaalsContact C-N 3.34Å; Y8-L10 PolarHBondContact O-N 3.33Å; Y8-L11 WeakPolarHBondContact O-CB 3.42Å; Y8-L11 PolarHBondContact O-N 3.49Å; Y8-F12 WeakPolarHBondContact O-CD2 3.44Å; Y8-F12 PolarHBondContact O-N 3.14Å
9	A	74.1	Confident	70.7	Confident	53 Å²	53	128 Å²	128	44%	0.438	67%	0.674	S	S	.	*	H	α-helix	trans	-60.3	-42.1	-177.3	0	0	0	0	0	112.6	S6 L11 F12 L13	S6-A9 WeakPolarHBondContact O-CB 3.19Å; S6-A9 PolarHBondContact O-N 3.35Å; A9-L11 VanDerWaalsContact C-N 3.31Å; A9-L11 PolarHBondContact O-N 3.02Å; A9-F12 PolarHBondContact O-N 3.42Å; A9-L13 WeakPolarHBondContact O-CB 3.44Å; A9-L13 PolarHBondContact O-N 2.82Å
10	L	72.9	Confident	71.4	Confident	151 Å²	151	127.8 Å²	127.8	79%	0.791	67%	0.667	S	S	*	*	H	α-helix	trans	-63.4	-35.8	174.6	-90	149.1	0	0	0	112.6	Y8 L13 F14	Y8-L10 VanDerWaalsContact C-N 3.34Å; Y8-L10 PolarHBondContact O-N 3.33Å; L10-L13 PolarHBondContact O-N 2.67Å; L10-F14 WeakPolarHBondContact O-CB 3.48Å; L10-F14 PolarHBondContact O-N 2.76Å
11	L	78.7	Confident	72.1	Confident	109 Å²	109	126.3 Å²	126.3	57%	0.571	66%	0.659	S	S	*	*	H	α-helix	trans	-68.6	-43.2	179.1	-152.7	98.4	0	0	0	111.3	Y8 A9 F14 L15	Y8-L11 WeakPolarHBondContact O-CB 3.42Å; Y8-L11 PolarHBondContact O-N 3.49Å; A9-L11 VanDerWaalsContact C-N 3.31Å; A9-L11 PolarHBondContact O-N 3.02Å; L11-F14 PolarHBondContact O-N 2.75Å; L11-L15 HydrophobicContact CD2-CD1 4.42Å; L11-L15 WeakPolarHBondContact O-CG 3.17Å; L11-L15 PolarHBondContact O-N 2.88Å
12	F	79.6	Confident	74.1	Confident	146 Å²	146	121.3 Å²	121.3	64%	0.64	63%	0.631	S	S	*	*	H	α-helix	trans	-65.6	-39.4	175.4	-84	-72.7	0	0	0	112.4	Y8 A9 F14 L15 S16	Y8-F12 WeakPolarHBondContact O-CD2 3.44Å; Y8-F12 PolarHBondContact O-N 3.14Å; A9-F12 PolarHBondContact O-N 3.42Å; F12-F14 VanDerWaalsContact C-N 3.34Å; F12-L15 PolarHBondContact O-N 3.28Å; F12-S16 WeakPolarHBondContact O-CB 3.32Å; F12-S16 PolarHBondContact O-N 3.09Å
13	L	82.4	Confident	75.8	Confident	116 Å²	116	119.6 Å²	119.6	61%	0.607	61%	0.612	S	S	*	*	H	α-helix	trans	-64	-42.9	177.4	-138	151	0	0	0	110.6	A9 L10 S16 L17	A9-L13 WeakPolarHBondContact O-CB 3.44Å; A9-L13 PolarHBondContact O-N 2.82Å; L10-L13 PolarHBondContact O-N 2.67Å; L13-S16 PolarHBondContact O-N 3.36Å; L13-S16 PolarHBondContact O-OG 2.78Å; L13-L17 WeakPolarHBondContact O-CB 3.28Å; L13-L17 PolarHBondContact O-N 3.28Å
14	F	86	Confident	76.9	Confident	148 Å²	148	112 Å²	112	65%	0.649	59%	0.589	S	S	*	*	H	α-helix	trans	-63.8	-43.5	175.7	-166.6	-91.6	0	0	0	112.9	L10 L11 F12 L17 S18	L10-F14 WeakPolarHBondContact O-CB 3.48Å; L10-F14 PolarHBondContact O-N 2.76Å; L11-F14 PolarHBondContact O-N 2.75Å; F12-F14 VanDerWaalsContact C-N 3.34Å; F14-L17 PolarHBondContact O-N 3.15Å; F14-S18 WeakPolarHBondContact O-CB 3.32Å; F14-S18 PolarHBondContact O-N 3.23Å
15	L	84.7	Confident	77.6	Confident	106 Å²	106	113.5 Å²	113.5	56%	0.555	58%	0.583	S	S	*	*	H	α-helix	trans	-63.7	-40.7	175.9	-76.2	166.1	0	0	0	112	L11 F12 S18 G19	L11-L15 HydrophobicContact CD2-CD1 4.42Å; L11-L15 WeakPolarHBondContact O-CG 3.17Å; L11-L15 PolarHBondContact O-N 2.88Å; F12-L15 PolarHBondContact O-N 3.28Å; L15-S18 PolarHBondContact O-N 3.32Å; L15-G19 PolarHBondContact O-N 3.03Å
16	S	80.7	Confident	78	Confident	73 Å²	73	111.4 Å²	111.4	51%	0.51	57%	0.566	S	S	.	*	H	α-helix	trans	-64.9	-41.2	177	78.7	0	0	0	0	112.2	F12 L13 G19 F20	F12-S16 WeakPolarHBondContact O-CB 3.32Å; F12-S16 PolarHBondContact O-N 3.09Å; L13-S16 PolarHBondContact O-N 3.36Å; L13-S16 PolarHBondContact O-OG 2.78Å; S16-G19 PolarHBondContact O-N 3Å; S16-F20 WeakPolarHBondContact O-CB 3.33Å; S16-F20 PolarHBondContact O-N 3.24Å
17	L	88.6	Confident	77.8	Confident	95 Å²	95	112 Å²	112	50%	0.497	56%	0.562	S	S	.	*	H	α-helix	trans	-68.7	-41.2	179.1	-165.7	74.4	0	0	0	111	L13 F14 F20 I21	L13-L17 WeakPolarHBondContact O-CB 3.28Å; L13-L17 PolarHBondContact O-N 3.28Å; F14-L17 PolarHBondContact O-N 3.15Å; L17-F20 PolarHBondContact O-N 3.46Å; L17-I21 HydrophobicContact CG-CD1 4.14Å; L17-I21 WeakPolarHBondContact O-CB 3.38Å; L17-I21 VanDerWaalsContact O-CG1 3.26Å; L17-I21 WeakPolarHBondContact O-CG1 3.47Å; L17-I21 PolarHBondContact O-N 3.04Å
18	S	85.2	Confident	77.1	Confident	66 Å²	66	108.6 Å²	108.6	46%	0.462	55%	0.549	S	S	.	.	H	α-helix	trans	-62.2	-43.8	174.7	-173.9	0	0	0	0	111.8	F14 L15 F20 I21 F22	F14-S18 WeakPolarHBondContact O-CB 3.32Å; F14-S18 PolarHBondContact O-N 3.23Å; L15-S18 PolarHBondContact O-N 3.32Å; S18-F20 PolarHBondContact O-N 2.99Å; S18-I21 PolarHBondContact O-N 2.97Å; S18-F22 WeakPolarHBondContact O-CB 3.49Å; S18-F22 PolarHBondContact O-N 2.83Å
19	G	86.6	Confident	75.9	Confident	42 Å²	42	104.2 Å²	104.2	43%	0.433	54%	0.538	S	S	.	.	H	α-helix	trans	-61.6	-41.7	174.3	0	0	0	0	0	112.8	L15 S16 F22 L23	L15-G19 PolarHBondContact O-N 3.03Å; S16-G19 PolarHBondContact O-N 3Å; G19-F22 PolarHBondContact O-N 2.94Å; G19-L23 WeakPolarHBondContact O-CB 3.46Å; G19-L23 PolarHBondContact O-N 2.74Å
20	F	85.6	Confident	74.5	Confident	124 Å²	124	108 Å²	108	54%	0.544	55%	0.55	S	S	.	*	H	α-helix	trans	-66.4	-42.1	177.4	-171.8	-105.3	0	0	0	112.5	S16 L17 S18 L23 L24	S16-F20 WeakPolarHBondContact O-CB 3.33Å; S16-F20 PolarHBondContact O-N 3.24Å; L17-F20 PolarHBondContact O-N 3.46Å; S18-F20 PolarHBondContact O-N 2.99Å; F20-L23 PolarHBondContact O-N 2.79Å; F20-L24 HydrophobicContact CD1-CD1 3.68Å; F20-L24 HydrophobicContact CD1-CG 4.46Å; F20-L24 HydrophobicContact CE1-CD1 3.33Å; F20-L24 HydrophobicContact CE1-CG 4.17Å; F20-L24 HydrophobicContact CZ-CD1 3.94Å; F20-L24 HydrophobicContact CZ-CG 4.36Å; F20-L24 PolarHBondContact O-N 2.77Å
21	I	85.9	Confident	72.9	Confident	96 Å²	96	107.2 Å²	107.2	49%	0.492	54%	0.542	S	S	.	.	H	α-helix	trans	-64.4	-42.5	175	-68.8	166.5	0	0	0	110.6	L17 S18 L23 L24 R25	L17-I21 HydrophobicContact CG-CD1 4.14Å; L17-I21 WeakPolarHBondContact O-CB 3.38Å; L17-I21 VanDerWaalsContact O-CG1 3.26Å; L17-I21 WeakPolarHBondContact O-CG1 3.47Å; L17-I21 PolarHBondContact O-N 3.04Å; S18-I21 PolarHBondContact O-N 2.97Å; I21-L23 VanDerWaalsContact C-N 3.33Å; I21-L23 PolarHBondContact O-N 2.77Å; I21-L24 PolarHBondContact O-N 2.86Å; I21-R25 VanDerWaalsContact O-CB 3.29Å; I21-R25 WeakPolarHBondContact O-CB 3.46Å; I21-R25 PolarHBondContact O-N 2.89Å
22	F	82.4	Confident	71.1	Confident	139 Å²	139	103.9 Å²	103.9	61%	0.61	53%	0.528	S	S	*	.	H	α-helix	trans	-62.9	-39.4	176.1	-175.6	-100.9	0	0	0	111.9	S18 G19 N26	S18-F22 WeakPolarHBondContact O-CB 3.49Å; S18-F22 PolarHBondContact O-N 2.83Å; G19-F22 PolarHBondContact O-N 2.94Å; F22-N26 VanDerWaalsContact CD1-ND2 3.33Å; F22-N26 WeakPolarHBondContact CD1-ND2 3.38Å; F22-N26 WeakPolarHBondContact CE1-ND2 3.45Å; F22-N26 WeakPolarHBondContact CZ-ND2 3.31Å; F22-N26 WeakPolarHBondContact O-CB 3.36Å; F22-N26 PolarHBondContact O-N 3.37Å; F22-N26 PolarHBondContact O-ND2 2.81Å
23	L	76.6	Confident	68.8	Low	104 Å²	104	106.2 Å²	106.2	55%	0.545	53%	0.533	S	S	.	.	H	α-helix	trans	-64.9	-48.4	175.9	-157.1	95	0	0	0	111.5	G19 F20 I21 R25 N26 I27	G19-L23 WeakPolarHBondContact O-CB 3.46Å; G19-L23 PolarHBondContact O-N 2.74Å; F20-L23 PolarHBondContact O-N 2.79Å; I21-L23 VanDerWaalsContact C-N 3.33Å; I21-L23 PolarHBondContact O-N 2.77Å; L23-R25 VanDerWaalsContact C-N 3.32Å; L23-R25 PolarHBondContact O-N 2.74Å; L23-N26 PolarHBondContact O-N 2.85Å; L23-I27 HydrophobicContact CD2-CD1 4.1Å; L23-I27 HydrophobicContact CG-CD1 4.26Å; L23-I27 VanDerWaalsContact O-CG1 3.31Å; L23-I27 WeakPolarHBondContact O-CG1 3.5Å; L23-I27 PolarHBondContact O-N 2.91Å
24	L	71.6	Confident	66.9	Low	89 Å²	89	105.7 Å²	105.7	47%	0.466	53%	0.53	S	S	.	.	H	α-helix	trans	-59.9	-41.9	176.8	-80.7	169.7	0	0	0	112	F20 I21 I27 H28	F20-L24 HydrophobicContact CD1-CD1 3.68Å; F20-L24 HydrophobicContact CD1-CG 4.46Å; F20-L24 HydrophobicContact CE1-CD1 3.33Å; F20-L24 HydrophobicContact CE1-CG 4.17Å; F20-L24 HydrophobicContact CZ-CD1 3.94Å; F20-L24 HydrophobicContact CZ-CG 4.36Å; F20-L24 PolarHBondContact O-N 2.77Å; I21-L24 PolarHBondContact O-N 2.86Å; L24-I27 PolarHBondContact O-N 2.84Å; L24-H28 WeakPolarHBondContact O-CB 3.39Å; L24-H28 PolarHBondContact O-N 2.9Å
25	R	69.4	Low	64.5	Low	185 Å²	185	102.9 Å²	102.9	70%	0.698	53%	0.528	S	S	*	.	H	α-helix	trans	-66	-39.9	178	-159.8	178.1	-179	-166.4	-0.3	111.2	I21 L23 T29	I21-R25 VanDerWaalsContact O-CB 3.29Å; I21-R25 WeakPolarHBondContact O-CB 3.46Å; I21-R25 PolarHBondContact O-N 2.89Å; L23-R25 VanDerWaalsContact C-N 3.32Å; L23-R25 PolarHBondContact O-N 2.74Å; R25-T29 WeakPolarHBondContact O-CB 3.22Å; R25-T29 PolarHBondContact O-N 2.86Å; R25-T29 PolarHBondContact O-OG1 2.83Å
26	N	63.6	Low	62.1	Low	69 Å²	69	104.6 Å²	104.6	37%	0.369	53%	0.533	S	S	.	.	H	α-helix	trans	-67.9	-39.6	174.7	-82.3	-66.1	0	0	0	112.7	F22 L23 T29 L30	F22-N26 VanDerWaalsContact CD1-ND2 3.33Å; F22-N26 WeakPolarHBondContact CD1-ND2 3.38Å; F22-N26 WeakPolarHBondContact CE1-ND2 3.45Å; F22-N26 WeakPolarHBondContact CZ-ND2 3.31Å; F22-N26 WeakPolarHBondContact O-CB 3.36Å; F22-N26 PolarHBondContact O-N 3.37Å; F22-N26 PolarHBondContact O-ND2 2.81Å; L23-N26 PolarHBondContact O-N 2.85Å; N26-T29 PolarHBondContact O-N 3.07Å; N26-L30 WeakPolarHBondContact O-CB 3.49Å; N26-L30 PolarHBondContact O-N 2.91Å
27	I	63.6	Low	59.9	Low	91 Å²	91	104.2 Å²	104.2	47%	0.467	53%	0.534	S	S	.	.	H	α-helix	trans	-60.4	-47.3	174.9	-69.5	165	0	0	0	110.5	L23 L24 T29 L30 E31	L23-I27 HydrophobicContact CD2-CD1 4.1Å; L23-I27 HydrophobicContact CG-CD1 4.26Å; L23-I27 VanDerWaalsContact O-CG1 3.31Å; L23-I27 WeakPolarHBondContact O-CG1 3.5Å; L23-I27 PolarHBondContact O-N 2.91Å; L24-I27 PolarHBondContact O-N 2.84Å; I27-T29 VanDerWaalsContact C-N 3.3Å; I27-T29 PolarHBondContact O-N 3.43Å; I27-L30 PolarHBondContact O-N 3.23Å; I27-E31 PolarHBondContact O-N 3.43Å
28	H	51.2	Low	57.6	Low	130 Å²	130	103.3 Å²	103.3	60%	0.602	53%	0.529	S	S	*	.	H	α-helix	trans	-65.6	-32.9	177.2	-169.5	-66.3	0	0	0	112.5	L24 S32	L24-H28 WeakPolarHBondContact O-CB 3.39Å; L24-H28 PolarHBondContact O-N 2.9Å; H28-S32 WeakPolarHBondContact O-CB 3.36Å; H28-S32 PolarHBondContact O-N 3.46Å; H28-S32 PolarHBondContact O-OG 3.35Å
29	T	45.6	Very low	55.3	Low	57 Å²	57	102.9 Å²	102.9	35%	0.35	53%	0.526	S	S	.	.	H	α-helix	trans	-74.3	-33.7	176.7	-49	0	0	0	0	111.4	R25 N26 I27 S32 W33	R25-T29 WeakPolarHBondContact O-CB 3.22Å; R25-T29 PolarHBondContact O-N 2.86Å; R25-T29 PolarHBondContact O-OG1 2.83Å; N26-T29 PolarHBondContact O-N 3.07Å; I27-T29 VanDerWaalsContact C-N 3.3Å; I27-T29 PolarHBondContact O-N 3.43Å; T29-S32 PolarHBondContact O-N 2.88Å; T29-S32 PolarHBondContact O-OG 3.12Å; T29-S32 VanDerWaalsContact O-OG 3.05Å; T29-W33 WeakPolarHBondContact O-CB 3.48Å; T29-W33 PolarHBondContact O-N 3.39Å
30	L	42.8	Very low	52.7	Low	133 Å²	133	103.8 Å²	103.8	70%	0.696	53%	0.529	S	S	*	.	H	α-helix	trans	-68.5	-40.3	173	-129	95.7	0	0	0	111.6	N26 I27 N34	N26-L30 WeakPolarHBondContact O-CB 3.49Å; N26-L30 PolarHBondContact O-N 2.91Å; I27-L30 PolarHBondContact O-N 3.23Å; L30-N34 WeakPolarHBondContact O-CB 3.26Å; L30-N34 PolarHBondContact O-N 3.01Å
31	E	40.9	Very low	50.2	Low	134 Å²	134	105.7 Å²	105.7	63%	0.626	54%	0.538	S	S	*	.	H	α-helix	trans	-63.4	-40.1	173.1	-85.7	-174.3	147.3	0	0	112.2	I27 C35	I27-E31 PolarHBondContact O-N 3.43Å; E31-C35 PolarHBondContact O-N 2.88Å
32	S	39.6	Very low	47.6	Very low	39 Å²	39	107.3 Å²	107.3	27%	0.273	54%	0.539	S	S	.	.	H	α-helix	trans	-73	-36.7	179.6	73.5	0	0	0	0	113.2	H28 T29 C35 H36	H28-S32 WeakPolarHBondContact O-CB 3.36Å; H28-S32 PolarHBondContact O-N 3.46Å; H28-S32 PolarHBondContact O-OG 3.35Å; T29-S32 PolarHBondContact O-N 2.88Å; T29-S32 PolarHBondContact O-OG 3.12Å; T29-S32 VanDerWaalsContact O-OG 3.05Å; S32-C35 PolarHBondContact O-N 3.15Å; S32-H36 PolarHBondContact O-CD2 3.31Å; S32-H36 VanDerWaalsContact O-CD2 3.27Å; S32-H36 PolarHBondContact O-N 3.49Å; S32-H36 VanDerWaalsContact O-N 3.12Å
33	W	33.1	Very low	45.3	Very low	195 Å²	195	106.8 Å²	106.8	74%	0.739	54%	0.538	S	S	*	.	H	α-helix	trans	-68.3	-36.1	176.6	-85.6	50.7	0	0	0	112.6	T29 C35 H36 A37	T29-W33 WeakPolarHBondContact O-CB 3.48Å; T29-W33 PolarHBondContact O-N 3.39Å; W33-C35 VanDerWaalsContact C-N 3.28Å; W33-C35 PolarHBondContact O-N 2.87Å; W33-H36 PolarHBondContact O-N 2.87Å; W33-A37 WeakPolarHBondContact O-CB 3.35Å; W33-A37 PolarHBondContact O-N 3.36Å
34	N	41.1	Very low	43.1	Very low	104 Å²	104	109.5 Å²	109.5	56%	0.556	55%	0.546	S	S	*	.	H	α-helix	trans	-67.1	-30.9	176.4	-148	6.8	0	0	0	111.7	L30 I38	L30-N34 WeakPolarHBondContact O-CB 3.26Å; L30-N34 PolarHBondContact O-N 3.01Å; N34-I38 WeakPolarHBondContact O-CB 3.41Å; N34-I38 VanDerWaalsContact O-CD1 3.27Å; N34-I38 WeakPolarHBondContact O-CD1 3.31Å; N34-I38 VanDerWaalsContact O-CG1 3.23Å; N34-I38 WeakPolarHBondContact O-CG1 3.39Å
35	C	35.8	Very low	41.3	Very low	90 Å²	90	110.9 Å²	110.9	61%	0.608	55%	0.55	S	S	*	.	H	α-helix	trans	-72.1	-41.8	172.5	-76.1	0	0	0	0	112.9	E31 S32 W33 S39	E31-C35 PolarHBondContact O-N 2.88Å; S32-C35 PolarHBondContact O-N 3.15Å; W33-C35 VanDerWaalsContact C-N 3.28Å; W33-C35 PolarHBondContact O-N 2.87Å; C35-S39 VanDerWaalsContact O-CB 3.32Å; C35-S39 WeakPolarHBondContact O-CB 3.2Å; C35-S39 PolarHBondContact O-N 3.08Å; C35-S39 VanDerWaalsContact O-N 3.15Å
36	H	33.8	Very low	39.6	Very low	142 Å²	142	106.3 Å²	106.3	66%	0.657	54%	0.543	S	S	*	.	H	α-helix	trans	-74.8	-39.7	-177.3	-80.2	-63.4	0	0	0	113.8	S32 W33 I38 A40	S32-H36 PolarHBondContact O-CD2 3.31Å; S32-H36 VanDerWaalsContact O-CD2 3.27Å; S32-H36 PolarHBondContact O-N 3.49Å; S32-H36 VanDerWaalsContact O-N 3.12Å; W33-H36 PolarHBondContact O-N 2.87Å; H36-I38 VanDerWaalsContact C-N 3.31Å; H36-I38 PolarHBondContact O-N 3.22Å; H36-A40 PolarHBondContact O-N 3.46Å
37	A	34.6	Very low	37.9	Very low	64 Å²	64	113.3 Å²	113.3	53%	0.529	56%	0.564	S	S	.	*	H	α-helix	trans	-67	-32.4	179.3	0	0	0	0	0	112.8	W33	W33-A37 WeakPolarHBondContact O-CB 3.35Å; W33-A37 PolarHBondContact O-N 3.36Å
38	I	40.6	Very low	36.4	Very low	77 Å²	77	115.2 Å²	115.2	40%	0.395	57%	0.574	S	S	.	*	H	α-helix	trans	-84	-33.7	-179.3	-61.8	175.6	0	0	0	111.5	N34 H36 A40 F41 Y42	N34-I38 WeakPolarHBondContact O-CB 3.41Å; N34-I38 VanDerWaalsContact O-CD1 3.27Å; N34-I38 WeakPolarHBondContact O-CD1 3.31Å; N34-I38 VanDerWaalsContact O-CG1 3.23Å; N34-I38 WeakPolarHBondContact O-CG1 3.39Å; H36-I38 VanDerWaalsContact C-N 3.31Å; H36-I38 PolarHBondContact O-N 3.22Å; I38-A40 VanDerWaalsContact C-N 3.31Å; I38-A40 PolarHBondContact O-N 3.36Å; I38-F41 PolarHBondContact O-N 3.21Å; I38-Y42 PolarHBondContact O-N 3.39Å; I38-Y42 VanDerWaalsContact O-N 3.11Å
39	S	37.1	Very low	35.5	Very low	57 Å²	57	117.3 Å²	117.3	40%	0.399	58%	0.583	S	S	.	*	H	α-helix	trans	-59.5	-40.5	173.2	-177.9	0	0	0	0	112.2	C35 F41 Y42 Q43	C35-S39 VanDerWaalsContact O-CB 3.32Å; C35-S39 WeakPolarHBondContact O-CB 3.2Å; C35-S39 PolarHBondContact O-N 3.08Å; C35-S39 VanDerWaalsContact O-N 3.15Å; S39-F41 PolarHBondContact O-N 3.43Å; S39-Y42 PolarHBondContact O-N 2.96Å; S39-Q43 WeakPolarHBondContact O-CB 3.47Å; S39-Q43 WeakPolarHBondContact O-CG 3.49Å; S39-Q43 PolarHBondContact O-N 3Å
40	A	31.4	Very low	34.7	Very low	60 Å²	60	119.6 Å²	119.6	50%	0.496	60%	0.602	S	S	.	*	H	α-helix	trans	-65.3	-36.8	177.5	0	0	0	0	0	113	H36 I38 F44	H36-A40 PolarHBondContact O-N 3.46Å; I38-A40 VanDerWaalsContact C-N 3.31Å; I38-A40 PolarHBondContact O-N 3.36Å; A40-F44 PolarHBondContact O-N 2.9Å
41	F	33.2	Very low	34.1	Very low	165 Å²	165	117.6 Å²	117.6	72%	0.724	60%	0.599	S	S	*	*	H	α-helix	trans	-71.7	-36.2	177	-105.6	-89.1	0	0	0	112.6	I38 S39 F44	I38-F41 PolarHBondContact O-N 3.21Å; S39-F41 PolarHBondContact O-N 3.43Å; F41-F44 PolarHBondContact O-N 2.72Å
42	Y	31.9	Very low	33.7	Very low	129 Å²	129	119.2 Å²	119.2	51%	0.506	61%	0.611	S	S	.	*	H	α-helix	trans	-75.1	-33	177.9	-121.4	-95.4	0	0	0	113.2	I38 S39 F44 Q45 T46	I38-Y42 PolarHBondContact O-N 3.39Å; I38-Y42 VanDerWaalsContact O-N 3.11Å; S39-Y42 PolarHBondContact O-N 2.96Å; Y42-F44 VanDerWaalsContact C-N 3.28Å; Y42-F44 PolarHBondContact O-N 2.98Å; Y42-Q45 PolarHBondContact O-N 3.19Å; Y42-T46 PolarHBondContact O-N 3.32Å; Y42-T46 PolarHBondContact O-OG1 3.3Å
43	Q	34.4	Very low	33.1	Very low	128 Å²	128	126.2 Å²	126.2	60%	0.598	64%	0.641	S	S	*	*	H	α-helix	trans	-67.3	-27	173.6	-80.4	-173.5	-17.3	0	0	112.9	S39 T46	S39-Q43 WeakPolarHBondContact O-CB 3.47Å; S39-Q43 WeakPolarHBondContact O-CG 3.49Å; S39-Q43 PolarHBondContact O-N 3Å; Q43-T46 WeakPolarHBondContact CA-OG1 3.43Å; Q43-T46 PolarHBondContact O-OG1 2.81Å
44	F	30.3	Very low	32.8	Very low	162 Å²	162	122.4 Å²	122.4	71%	0.711	65%	0.645	S	S	*	*	H	α-helix	trans	-76.1	-33.9	178.6	-148.9	-92.9	0	0	0	112.4	A40 F41 Y42	A40-F44 PolarHBondContact O-N 2.9Å; F41-F44 PolarHBondContact O-N 2.72Å; Y42-F44 VanDerWaalsContact C-N 3.28Å; Y42-F44 PolarHBondContact O-N 2.98Å
45	Q	33.3	Very low	32.4	Very low	118 Å²	118	123.7 Å²	123.7	55%	0.551	66%	0.656	S	S	*	*	H	α-helix	trans	-75.2	-33.3	176	-94.3	178.9	-44.4	0	0	113.6	Y42 R47 I48	Y42-Q45 PolarHBondContact O-N 3.19Å; Q45-R47 VanDerWaalsContact C-N 3.33Å; Q45-R47 PolarHBondContact O-N 3.29Å; Q45-I48 PolarHBondContact O-N 3.05Å
46	T	33.7	Very low	31.9	Very low	89 Å²	89	127 Å²	127	55%	0.546	67%	0.667	S	S	.	*	H	α-helix	trans	-72.9	-22.3	-179.8	29.5	0	0	0	0	113.7	Y42 Q43 I48	Y42-T46 PolarHBondContact O-N 3.32Å; Y42-T46 PolarHBondContact O-OG1 3.3Å; Q43-T46 WeakPolarHBondContact CA-OG1 3.43Å; Q43-T46 PolarHBondContact O-OG1 2.81Å; T46-I48 VanDerWaalsContact C-N 3.26Å; T46-I48 PolarHBondContact O-N 3.24Å
47	R	28.8	Very low	31.7	Very low	216 Å²	216	127.5 Å²	127.5	82%	0.815	67%	0.674	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.9	-11.8	176.4	-93.5	-173.9	-178.5	-176.9	2	115	Q45	Q45-R47 VanDerWaalsContact C-N 3.33Å; Q45-R47 PolarHBondContact O-N 3.29Å
48	I	32.2	Very low	32	Very low	131 Å²	131	129.7 Å²	129.7	67%	0.672	68%	0.683	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.1	-10.7	-178	-62.6	179.4	0	0	0	112.3	Q45 T46	Q45-I48 PolarHBondContact O-N 3.05Å; T46-I48 VanDerWaalsContact C-N 3.26Å; T46-I48 PolarHBondContact O-N 3.24Å
49	H	30.8	Very low	31.4	Very low	174 Å²	174	131.1 Å²	131.1	81%	0.806	70%	0.696	S	S	*	*	S	Bend	trans	-113.4	5.4	-176.4	-102.6	-38.5	0	0	0	116.7	S51	H49-S51 PolarHBondContact O-N 2.82Å
50	S	30.1	Very low	31.4	Very low	105 Å²	105	135.4 Å²	135.4	73%	0.734	70%	0.704	S	S	*	*			trans	-97	42.6	-177.5	70.4	0	0	0	0	114.2
51	S	29.7	Very low	31.5	Very low	90 Å²	90	136.6 Å²	136.6	63%	0.629	70%	0.702	S	S	*	*	S	Bend	trans	-138	117.5	168.1	61	0	0	0	0	109.6	H49	H49-S51 PolarHBondContact O-N 2.82Å
52	L	32	Very low	32	Very low	168 Å²	168	133.6 Å²	133.6	88%	0.88	69%	0.69	S	S	*	*			trans	91.5	100.6	178.8	-57.5	152.9	0	0	0	114.4
53	M	28.1	Very low	32.5	Very low	187 Å²	187	132.8 Å²	132.8	92%	0.921	69%	0.694	S	S	*	*				-162.8	125.9	123.7	-78.7	-124.7	92.9	0	0	109.1
54	S	26.3	Very low	33.4	Very low	115 Å²	115	132.1 Å²	132.1	80%	0.804	69%	0.694	S	S	*	*			trans	-78.6	143.7	176.4	52	0	0	0	0	111.5
55	V	32.9	Very low	34.9	Very low	130 Å²	130	126 Å²	126	79%	0.788	67%	0.67	S	S	*	*			trans	-65	134.5	178.7	175.8	0	0	0	0	111.7
56	N	24.6	Very low	36.5	Very low	159 Å²	159	124.2 Å²	124.2	85%	0.85	66%	0.661	S	S	*	*			trans	-163.3	136.5	145.5	-87.6	-30.4	0	0	0	109.7
57	L	30.6	Very low	38.4	Very low	154 Å²	154	120.5 Å²	120.5	81%	0.806	64%	0.639	S	S	*	*			trans	-132.2	165.7	171.6	-106	105.9	0	0	0	108
58	P	40.7	Very low	40	Very low	109 Å²	109	111.7 Å²	111.7	71%	0.708	61%	0.612	S	S	*	*			cis	-132.7	140.8	-2.9	35.6	-17.1	0	0	0	114.3
59	T	27.1	Very low	41.5	Very low	108 Å²	108	113.2 Å²	113.2	66%	0.663	62%	0.616	S	S	*	*			trans	-139.9	133.9	151.4	41.7	0	0	0	0	106.3	N61	T59-N61 VanDerWaalsContact C-N 3.28Å; T59-N61 PolarHBondContact O-N 3.27Å
60	Y	37.5	Very low	43.4	Very low	147 Å²	147	106.4 Å²	106.4	58%	0.576	59%	0.585	S	S	*	*			trans	-59.2	95.5	173	-179.8	-99.4	0	0	0	108.4	Q62 L86	Y60-Q62 HydrophobicContact CE1-CG 4.06Å; Y60-L86 WeakPolarHBondContact OH-CD1 3.4Å
61	N	34	Very low	45.2	Very low	85 Å²	85	102.8 Å²	102.8	46%	0.455	56%	0.564	S	S	.	*			trans	-100.1	111.6	-179.3	-93.1	-23.3	0	0	0	106.7	T59 N63 L64	T59-N61 VanDerWaalsContact C-N 3.28Å; T59-N61 PolarHBondContact O-N 3.27Å; N61-N63 PolarHBondContact O-N 3.18Å; N61-L64 HydrophobicContact CB-CD1 3.94Å; N61-L64 PolarHBondContact O-N 3.4Å
62	Q	42.1	Very low	47.2	Very low	101 Å²	101	104.7 Å²	104.7	47%	0.472	56%	0.564	S	S	.	*	T	Hydrogen-bonded Turn	trans	-55.6	-6.2	171.4	-70.3	179.7	-22.2	0	0	114	Y60 H83	Y60-Q62 HydrophobicContact CE1-CG 4.06Å; Q62-H83 PolarHBondContact NE2-CE1 2.82Å; Q62-H83 PolarHBondContact NE2-NE2 2.99Å
63	N	43.1	Very low	49.4	Very low	112 Å²	112	105.1 Å²	105.1	60%	0.599	56%	0.558	S	S	*	*	T	Hydrogen-bonded Turn	trans	-105.3	10.3	-170.8	-68.3	-16.6	0	0	0	115.2	N61	N61-N63 PolarHBondContact O-N 3.18Å
64	L	54.1	Low	51.9	Low	114 Å²	114	98 Å²	98	60%	0.597	53%	0.526	S	S	*	.			trans	-119.3	0.1	-173.8	-81.8	161.6	0	0	0	115.8	N61	N61-L64 HydrophobicContact CB-CD1 3.94Å; N61-L64 PolarHBondContact O-N 3.4Å
65	T	60.9	Low	54.8	Low	33 Å²	33	98.7 Å²	98.7	20%	0.202	52%	0.515	C	S	.	.	S	Bend	trans	-80.2	147.3	175.4	64.9	0	0	0	0	110.7	C67 A68	T65-C67 PolarHBondContact O-N 3.15Å; T65-A68 VanDerWaalsContact O-CB 3.26Å; T65-A68 WeakPolarHBondContact O-CB 3.46Å; T65-A68 PolarHBondContact O-N 2.65Å; T65-A68 PolarHBondContact OG1-N 3.39Å
66	F	66.3	Low	57.4	Low	81 Å²	81	96.9 Å²	96.9	36%	0.355	51%	0.506	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58	-24.9	178.1	179.8	-87.4	0	0	0	112.9	E210 P213 D214 C236 P238	F66-E210 PolarHBondContact N-O 3.16Å; F66-E210 VanDerWaalsContact N-O 3.12Å; F66-P213 HydrophobicContact CB-CG 3.65Å; F66-P213 HydrophobicContact CD1-CG 3.43Å; F66-P213 VanDerWaalsContact CD1-CG 3.43Å; F66-P213 HydrophobicContact CE1-CG 4.33Å; F66-P213 HydrophobicContact CG-CG 3.79Å; F66-D214 HydrophobicContact CE1-CB 4.28Å; F66-D214 HydrophobicContact CZ-CB 4.13Å; F66-C236 HydrophobicContact CD1-CB 4Å; F66-C236 HydrophobicContact CE1-CB 3.98Å; F66-C236 WeakPolarHBondContact CE1-O 3.43Å; F66-P238 HydrophobicContact CZ-CG 4.13Å
67	C	74.3	Confident	60.4	Low	12 Å²	12	95.5 Å²	95.5	8%	0.081	50%	0.495	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.9	22.2	177.5	-60.2	0	0	0	0	113.1	T65 H69 L70 C236 P465	T65-C67 PolarHBondContact O-N 3.15Å; C67-H69 PolarHBondContact O-N 3.14Å; C67-L70 HydrophobicContact CB-CB 4.44Å; C67-L70 WeakPolarHBondContact O-CB 3.48Å; C67-L70 PolarHBondContact O-N 2.94Å; C67-C236 HydrophobicContact CB-CB 3.89Å; C67-C236 WeakPolarHBondContact CB-SG 3.33Å; C67-C236 WeakPolarHBondContact SG-CB 3.46Å; C67-C236 CovalentContact SG-SG 2.02Å; C67-C236 PolarHBondContact SG-SG 2.83Å; C67-P465 HydrophobicContact CB-CG 4.15Å
68	A	61.7	Low	63.3	Low	31 Å²	31	88.9 Å²	88.9	26%	0.256	46%	0.46	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.1	137.9	177.5	0	0	0	0	0	110.5	T65 L70	T65-A68 VanDerWaalsContact O-CB 3.26Å; T65-A68 WeakPolarHBondContact O-CB 3.46Å; T65-A68 PolarHBondContact O-N 2.65Å; T65-A68 PolarHBondContact OG1-N 3.39Å; A68-L70 VanDerWaalsContact C-N 3.33Å; A68-L70 PolarHBondContact O-N 2.86Å
69	H	65.3	Low	65.7	Low	162 Å²	162	87 Å²	87	75%	0.75	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.5	22.8	-178.9	-45.9	-65.6	0	0	0	116.4	C67	C67-H69 PolarHBondContact O-N 3.14Å
70	L	70.8	Confident	68.7	Low	31 Å²	31	88 Å²	88	16%	0.162	44%	0.441	C	S	.	.			trans	-78.9	128.2	179.6	-174.9	112.4	0	0	0	113.5	C67 A68 M235 C236 P255 V468 R471	C67-L70 HydrophobicContact CB-CB 4.44Å; C67-L70 WeakPolarHBondContact O-CB 3.48Å; C67-L70 PolarHBondContact O-N 2.94Å; A68-L70 VanDerWaalsContact C-N 3.33Å; A68-L70 PolarHBondContact O-N 2.86Å; L70-M235 HydrophobicContact CD1-CG 3.81Å; L70-M235 WeakPolarHBondContact CD1-O 3.48Å; L70-M235 HydrophobicContact CD2-CG 3.47Å; L70-M235 VanDerWaalsContact CD2-CG 3.47Å; L70-M235 HydrophobicContact CD2-SD 3.55Å; L70-M235 VanDerWaalsContact CD2-SD 3.55Å; L70-M235 HydrophobicContact CG-CG 4.21Å; L70-C236 HydrophobicContact CD1-CB 3.93Å; L70-P255 HydrophobicContact CD1-CG 4.25Å; L70-P255 HydrophobicContact CD2-CG 3.5Å; L70-P255 HydrophobicContact CG-CB 4.37Å; L70-P255 HydrophobicContact CG-CG 3.7Å; L70-V468 HydrophobicContact CD2-CG2 4.18Å; L70-R471 PolarHBondContact O-NH1 3.23Å
71	G	67.1	Low	71.3	Confident	29 Å²	29	82.8 Å²	82.8	30%	0.299	42%	0.422	S	S	.	.	S	Bend	trans	86.1	-170.5	176.1	0	0	0	0	0	112.7
72	Q	71.2	Confident	74.2	Confident	131 Å²	131	80.2 Å²	80.2	61%	0.612	41%	0.407	S	S	*	.	S	Bend	trans	-67.6	142.5	175.7	-67.4	-178.6	-3.1	0	0	110.8	P74	Q72-P74 WeakPolarHBondContact O-CD 3.2Å
73	K	79.3	Confident	76.6	Confident	176 Å²	176	78.2 Å²	78.2	77%	0.765	40%	0.398	S	S	*	.	P	Polyproline II helix	trans	-60.4	122.4	175.1	-173.3	178.4	-178.1	-179.8	0	108.7
74	P	81.2	Confident	79	Confident	39 Å²	39	79.2 Å²	79.2	25%	0.253	39%	0.394	S	S	.	.	P	Polyproline II helix	trans	-64.4	147.1	-178.6	21.6	-30.2	0	0	0	111.4	Q72 D78 K79	Q72-P74 WeakPolarHBondContact O-CD 3.2Å; P74-D78 HydrophobicContact CB-CB 3.78Å; P74-K79 HydrophobicContact CB-CG 3.94Å; P74-K79 HydrophobicContact CG-CD 4.35Å; P74-K79 HydrophobicContact CG-CG 3.56Å
75	F	85.3	Confident	81	Confident	128 Å²	128	73.9 Å²	73.9	56%	0.561	37%	0.366	S	S	*	.	P	Polyproline II helix	trans	-59.8	157.4	169.8	-66.4	-77.1	0	0	0	110.7	E77 D78 K79	F75-E77 PolarHBondContact O-N 3.47Å; F75-D78 HydrophobicContact CB-CB 4.47Å; F75-D78 WeakPolarHBondContact O-CB 3.37Å; F75-D78 PolarHBondContact O-N 2.88Å; F75-D78 VanDerWaalsContact O-N 3.09Å; F75-K79 PolarHBondContact O-N 2.87Å
76	P	88.5	Confident	82.6	Confident	93 Å²	93	73.4 Å²	73.4	60%	0.604	36%	0.362	S	S	*	.	H	α-helix	trans	-52.5	-40.5	-179.7	-27.7	36.5	0	0	0	113.9	K79 L80	P76-K79 WeakPolarHBondContact O-CB 3.25Å; P76-K79 PolarHBondContact O-N 2.87Å; P76-L80 PolarHBondContact O-N 3.39Å; P76-L80 VanDerWaalsContact O-N 3.08Å
77	E	88.4	Confident	83.9	Confident	130 Å²	130	74.7 Å²	74.7	61%	0.607	37%	0.373	S	S	*	.	H	α-helix	trans	-68	-41.3	179.1	-57.1	72.8	-157.4	0	0	111.2	F75 K79 L80 E81	F75-E77 PolarHBondContact O-N 3.47Å; E77-K79 VanDerWaalsContact C-N 3.29Å; E77-K79 PolarHBondContact O-N 3.49Å; E77-L80 PolarHBondContact O-N 3.27Å; E77-E81 PolarHBondContact O-N 2.77Å
78	D	90.4	Very high	84.7	Confident	14 Å²	14	76.6 Å²	76.6	8%	0.075	39%	0.386	C	S	.	.	H	α-helix	trans	-64.2	-36.6	176.7	-70.8	-14.6	0	0	0	111.5	P74 F75 E82 R474 R478	P74-D78 HydrophobicContact CB-CB 3.78Å; F75-D78 HydrophobicContact CB-CB 4.47Å; F75-D78 WeakPolarHBondContact O-CB 3.37Å; F75-D78 PolarHBondContact O-N 2.88Å; F75-D78 VanDerWaalsContact O-N 3.09Å; D78-E82 VanDerWaalsContact O-CB 3.31Å; D78-E82 WeakPolarHBondContact O-CB 3.39Å; D78-E82 PolarHBondContact O-N 3.43Å; D78-R474 VanDerWaalsContact CG-CD 3.46Å; D78-R474 PolarHBondContact O-NH2 3.48Å; D78-R474 WeakPolarHBondContact OD1-CD 3.4Å; D78-R474 IonicContact OD1-NE 3.84Å; D78-R478 IonicContact OD1-CZ 2.7Å; D78-R478 IonicContact OD1-NH2 2.74Å; D78-R478 PolarHBondContact OD1-NH2 3.43Å; D78-R478 IonicContact OD2-CZ 3.31Å; D78-R478 IonicContact OD2-NH1 3.78Å; D78-R478 PolarHBondContact OD2-NH1 2.88Å; D78-R478 IonicContact OD2-NH2 2.99Å; D78-R478 PolarHBondContact OD2-NH2 2.59Å
79	K	90.4	Very high	86.3	Confident	69 Å²	69	75.7 Å²	75.7	30%	0.3	38%	0.377	S	S	.	.	H	α-helix	trans	-64.3	-46.2	173.3	-73.8	-175.6	172.8	-160	0	111.1	P74 F75 P76 E77 E81 E82 H83	P74-K79 HydrophobicContact CB-CG 3.94Å; P74-K79 HydrophobicContact CG-CD 4.35Å; P74-K79 HydrophobicContact CG-CG 3.56Å; F75-K79 PolarHBondContact O-N 2.87Å; P76-K79 WeakPolarHBondContact O-CB 3.25Å; P76-K79 PolarHBondContact O-N 2.87Å; E77-K79 VanDerWaalsContact C-N 3.29Å; E77-K79 PolarHBondContact O-N 3.49Å; K79-E81 VanDerWaalsContact C-N 3.31Å; K79-E81 PolarHBondContact O-N 2.75Å; K79-E82 WeakPolarHBondContact O-CB 3.14Å; K79-E82 PolarHBondContact O-N 2.89Å; K79-H83 PolarHBondContact O-N 3.16Å; K79-H83 PolarHBondContact O-ND1 2.58Å
80	L	91.4	Very high	87.7	Confident	130 Å²	130	74.6 Å²	74.6	68%	0.681	37%	0.372	S	S	*	.	H	α-helix	trans	-61.1	-44.2	-179.6	-175.4	66.4	0	0	0	111.2	P76 E77 H83 Y84	P76-L80 PolarHBondContact O-N 3.39Å; P76-L80 VanDerWaalsContact O-N 3.08Å; E77-L80 PolarHBondContact O-N 3.27Å; L80-H83 PolarHBondContact O-N 2.69Å; L80-Y84 PolarHBondContact O-N 2.91Å
81	E	92.4	Very high	88.8	Confident	38 Å²	38	75.8 Å²	75.8	18%	0.178	38%	0.375	C	S	.	.	H	α-helix	trans	-60.6	-43.6	173.4	170.1	174.5	-96.2	0	0	112.3	E77 K79 Y84 L85 R474 R477	E77-E81 PolarHBondContact O-N 2.77Å; K79-E81 VanDerWaalsContact C-N 3.31Å; K79-E81 PolarHBondContact O-N 2.75Å; E81-Y84 PolarHBondContact O-N 2.83Å; E81-L85 HydrophobicContact CG-CD1 3.7Å; E81-L85 HydrophobicContact CG-CG 4.24Å; E81-L85 WeakPolarHBondContact O-CB 3.34Å; E81-L85 VanDerWaalsContact O-CG 3.25Å; E81-L85 WeakPolarHBondContact O-CG 3.3Å; E81-L85 PolarHBondContact O-N 2.53Å; E81-R474 IonicContact OE2-CZ 3.77Å; E81-R474 IonicContact OE2-NE 2.61Å; E81-R474 PolarHBondContact OE2-NE 3.3Å; E81-R474 IonicContact OE2-NH2 3.23Å; E81-R474 PolarHBondContact OE2-NH2 3.44Å; E81-R477 IonicContact OE1-CZ 2.88Å; E81-R477 IonicContact OE1-NH1 3.91Å; E81-R477 PolarHBondContact OE1-NH1 3.11Å; E81-R477 IonicContact OE1-NH2 3.28Å; E81-R477 PolarHBondContact OE1-NH2 3.31Å; E81-R477 IonicContact OE2-CZ 3.43Å; E81-R477 IonicContact OE2-NH2 3.82Å; E81-R477 PolarHBondContact OE2-NH2 3.12Å; E81-R477 VanDerWaalsContact OE2-NH2 3.12Å
82	E	93.6	Very high	89.8	Confident	31 Å²	31	76 Å²	76	15%	0.145	37%	0.371	C	S	.	.	H	α-helix	trans	-59.7	-46.4	177.7	-174.8	169.1	96.5	0	0	111.7	D78 K79 L85 L86 I470 R474	D78-E82 VanDerWaalsContact O-CB 3.31Å; D78-E82 WeakPolarHBondContact O-CB 3.39Å; D78-E82 PolarHBondContact O-N 3.43Å; K79-E82 WeakPolarHBondContact O-CB 3.14Å; K79-E82 PolarHBondContact O-N 2.89Å; E82-L85 PolarHBondContact O-N 2.7Å; E82-L86 HydrophobicContact CG-CD1 3.88Å; E82-L86 HydrophobicContact CG-CG 4.47Å; E82-L86 WeakPolarHBondContact O-CB 3.46Å; E82-L86 WeakPolarHBondContact O-CG 3.3Å; E82-L86 PolarHBondContact O-N 2.88Å; E82-I470 HydrophobicContact CB-CG2 4.33Å; E82-I470 HydrophobicContact CG-CD1 4.19Å; E82-I470 HydrophobicContact CG-CG2 4.23Å; E82-R474 IonicContact OE2-NH1 3.73Å
83	H	93	Very high	90.2	Very high	59 Å²	59	72 Å²	72	27%	0.273	36%	0.364	S	S	.	.	H	α-helix	trans	-59.7	-49	174.8	-70.9	88.6	0	0	0	111.3	Q62 K79 L80 L85 L86 D87	Q62-H83 PolarHBondContact NE2-CE1 2.82Å; Q62-H83 PolarHBondContact NE2-NE2 2.99Å; K79-H83 PolarHBondContact O-N 3.16Å; K79-H83 PolarHBondContact O-ND1 2.58Å; L80-H83 PolarHBondContact O-N 2.69Å; H83-L85 VanDerWaalsContact C-N 3.28Å; H83-L85 PolarHBondContact O-N 2.77Å; H83-L86 PolarHBondContact O-N 3.44Å; H83-L86 VanDerWaalsContact O-N 3.16Å; H83-D87 WeakPolarHBondContact O-CB 3.32Å; H83-D87 PolarHBondContact O-N 3.2Å
84	Y	94.1	Very high	90.3	Very high	132 Å²	132	65.1 Å²	65.1	52%	0.518	34%	0.337	S	S	.	.	H	α-helix	trans	-55.7	-43.5	177.8	172.2	-98.5	0	0	0	112.4	L80 E81 S88	L80-Y84 PolarHBondContact O-N 2.91Å; E81-Y84 PolarHBondContact O-N 2.83Å; Y84-S88 WeakPolarHBondContact O-CB 3.34Å; Y84-S88 PolarHBondContact O-N 3.38Å
85	L	95.3	Very high	90.1	Very high	3 Å²	3	65.2 Å²	65.2	2%	0.016	34%	0.338	C	S	.	.	H	α-helix	trans	-69.4	-39	179.1	-70	170.6	0	0	0	112.1	E81 E82 H83 S88 I470 V521 A524 M525	E81-L85 HydrophobicContact CG-CD1 3.7Å; E81-L85 HydrophobicContact CG-CG 4.24Å; E81-L85 WeakPolarHBondContact O-CB 3.34Å; E81-L85 VanDerWaalsContact O-CG 3.25Å; E81-L85 WeakPolarHBondContact O-CG 3.3Å; E81-L85 PolarHBondContact O-N 2.53Å; E82-L85 PolarHBondContact O-N 2.7Å; H83-L85 VanDerWaalsContact C-N 3.28Å; H83-L85 PolarHBondContact O-N 2.77Å; L85-S88 PolarHBondContact O-N 3.07Å; L85-S88 PolarHBondContact O-OG 3.17Å; L85-I470 HydrophobicContact CB-CD1 3.76Å; L85-I470 HydrophobicContact CB-CG1 4.28Å; L85-I470 HydrophobicContact CD1-CD1 4.38Å; L85-I470 HydrophobicContact CD1-CG1 4.13Å; L85-I470 HydrophobicContact CD1-CG2 3.83Å; L85-V521 HydrophobicContact CD1-CG1 4.49Å; L85-A524 HydrophobicContact CD2-CB 3.46Å; L85-A524 VanDerWaalsContact CD2-CB 3.46Å; L85-M525 HydrophobicContact CD1-CE 3.52Å
86	L	94.9	Very high	89.2	Confident	23 Å²	23	63 Å²	63	12%	0.12	34%	0.343	C	S	.	.	H	α-helix	trans	-68.2	-40.8	176.4	-69	168.3	0	0	0	111.9	Y60 E82 H83 S88 I89 E90 V466 E467 I470	Y60-L86 WeakPolarHBondContact OH-CD1 3.4Å; E82-L86 HydrophobicContact CG-CD1 3.88Å; E82-L86 HydrophobicContact CG-CG 4.47Å; E82-L86 WeakPolarHBondContact O-CB 3.46Å; E82-L86 WeakPolarHBondContact O-CG 3.3Å; E82-L86 PolarHBondContact O-N 2.88Å; H83-L86 PolarHBondContact O-N 3.44Å; H83-L86 VanDerWaalsContact O-N 3.16Å; L86-S88 VanDerWaalsContact C-N 3.26Å; L86-S88 PolarHBondContact O-N 2.99Å; L86-I89 HydrophobicContact CD2-CD1 4.48Å; L86-I89 WeakPolarHBondContact O-CG1 3.35Å; L86-I89 PolarHBondContact O-N 2.82Å; L86-E90 PolarHBondContact O-N 2.94Å; L86-V466 HydrophobicContact CD2-CB 3.99Å; L86-V466 HydrophobicContact CD2-CG1 4.17Å; L86-E467 HydrophobicContact CD1-CG 3.99Å; L86-E467 HydrophobicContact CD2-CG 4.35Å; L86-I470 HydrophobicContact CD2-CD1 3.82Å; L86-I470 HydrophobicContact CG-CD1 3.8Å
87	D	92.8	Very high	87.7	Confident	108 Å²	108	68.5 Å²	68.5	58%	0.578	35%	0.352	S	S	*	.	H	α-helix	trans	-62.2	-36.7	174.9	-67.6	-15.1	0	0	0	110.8	H83 I89 E90	H83-D87 WeakPolarHBondContact O-CB 3.32Å; H83-D87 PolarHBondContact O-N 3.2Å; D87-I89 PolarHBondContact O-N 2.84Å; D87-I89 VanDerWaalsContact O-N 3.15Å; D87-E90 WeakPolarHBondContact O-CB 3.22Å; D87-E90 PolarHBondContact O-N 2.62Å; D87-E90 VanDerWaalsContact O-N 3.14Å
88	S	92.4	Very high	86	Confident	51 Å²	51	66.2 Å²	66.2	36%	0.357	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-16.8	178.1	81.4	0	0	0	0	114.7	Y84 L85 L86	Y84-S88 WeakPolarHBondContact O-CB 3.34Å; Y84-S88 PolarHBondContact O-N 3.38Å; L85-S88 PolarHBondContact O-N 3.07Å; L85-S88 PolarHBondContact O-OG 3.17Å; L86-S88 VanDerWaalsContact C-N 3.26Å; L86-S88 PolarHBondContact O-N 2.99Å
89	I	95.2	Very high	84.5	Confident	12 Å²	12	69.2 Å²	69.2	6%	0.062	37%	0.367	C	S	.	.	T	Hydrogen-bonded Turn	trans	-115.6	11.7	178.4	62.9	165.7	0	0	0	112.6	L86 D87 W91 V466 Q517 T520 V521	L86-I89 HydrophobicContact CD2-CD1 4.48Å; L86-I89 WeakPolarHBondContact O-CG1 3.35Å; L86-I89 PolarHBondContact O-N 2.82Å; D87-I89 PolarHBondContact O-N 2.84Å; D87-I89 VanDerWaalsContact O-N 3.15Å; I89-W91 PolarHBondContact O-N 3.06Å; I89-V466 HydrophobicContact CD1-CB 4.09Å; I89-V466 HydrophobicContact CD1-CG1 3.69Å; I89-V466 HydrophobicContact CD1-CG2 3.86Å; I89-Q517 HydrophobicContact CD1-CB 4.35Å; I89-Q517 PolarHBondContact O-NE2 3.5Å; I89-Q517 PolarHBondContact O-OE1 3.06Å; I89-T520 HydrophobicContact CG2-CG2 3.68Å; I89-V521 HydrophobicContact CD1-CG2 4.02Å; I89-V521 HydrophobicContact CG2-CG2 3.84Å
90	E	93.6	Very high	82.9	Confident	139 Å²	139	71 Å²	71	65%	0.65	39%	0.385	S	S	*	.			trans	-54.4	129.6	175.4	-168.9	-172.2	-176.8	0	0	109.8	L86 D87	L86-E90 PolarHBondContact O-N 2.94Å; D87-E90 WeakPolarHBondContact O-CB 3.22Å; D87-E90 PolarHBondContact O-N 2.62Å; D87-E90 VanDerWaalsContact O-N 3.14Å
91	W	93.6	Very high	81.5	Confident	57 Å²	57	66.2 Å²	66.2	22%	0.216	36%	0.362	C	S	.	.			trans	-120.3	127.5	-175.9	-160.6	-89.8	0	0	0	110.5	I89 G149 F151 V202 W513 L516	I89-W91 PolarHBondContact O-N 3.06Å; W91-G149 PolarHBondContact NE1-O 3.45Å; W91-F151 HydrophobicContact CH2-CD2 4.01Å; W91-F151 HydrophobicContact CZ2-CB 4.11Å; W91-F151 HydrophobicContact CZ2-CD2 4.29Å; W91-V202 VanDerWaalsContact CD1-CG1 3.44Å; W91-V202 HydrophobicContact CG-CG1 4.22Å; W91-W513 HydrophobicContact CB-CZ2 3.93Å; W91-W513 AromaticContact CD1-NE1 3.89Å; W91-W513 AromaticContact CD2-NE1 3.33Å; W91-W513 VanDerWaalsContact CD2-NE1 3.33Å; W91-W513 AromaticContact CE2-NE1 3.49Å; W91-W513 AromaticContact CE3-NE1 3.73Å; W91-W513 AromaticContact CG-CZ2 4Å; W91-W513 HydrophobicContact CG-CZ2 4Å; W91-W513 AromaticContact CG-NE1 3.61Å; W91-W513 AromaticContact NE1-NE1 3.8Å; W91-L516 HydrophobicContact CZ3-CD2 4.28Å
92	P	89.8	Confident	80.9	Confident	34 Å²	34	67.2 Å²	67.2	22%	0.221	37%	0.373	C	S	.	.			trans	-66	141.6	178.6	24.1	-27.2	0	0	0	110.3	G149 D171	P92-G149 WeakPolarHBondContact O-CA 3.2Å; P92-D171 VanDerWaalsContact CG-OD2 3.3Å; P92-D171 WeakPolarHBondContact CG-OD2 3.37Å
93	G	78.8	Confident	80.4	Confident	45 Å²	45	68.3 Å²	68.3	46%	0.464	38%	0.38	S	S	.	.			trans	-116.4	164	178.4	0	0	0	0	0	112.2
94	P	81.1	Confident	80.2	Confident	32 Å²	32	73.7 Å²	73.7	21%	0.208	40%	0.398	C	S	.	.			trans	-57.3	139.1	169.6	25.3	-33.2	0	0	0	109.8	A96 Y147 E200 A203	P94-A96 PolarHBondContact O-N 2.74Å; P94-Y147 HydrophobicContact CB-CD2 4.18Å; P94-Y147 HydrophobicContact CB-CE2 3.63Å; P94-E200 HydrophobicContact CB-CG 4.5Å; P94-E200 HydrophobicContact CG-CG 4.41Å; P94-A203 HydrophobicContact CG-CB 4.03Å
95	P	76.4	Confident	80	Confident	42 Å²	42	71.1 Å²	71.1	27%	0.273	39%	0.391	S	S	.	.			trans	-58.3	137.5	179	-22.7	30.1	0	0	0	111.7	R97 F98 Y147	P95-R97 HydrophobicContact CB-CG 4.05Å; P95-R97 PolarHBondContact O-N 2.99Å; P95-F98 HydrophobicContact CB-CD2 3.69Å; P95-F98 HydrophobicContact CB-CE2 4.02Å; P95-F98 HydrophobicContact CG-CD2 3.78Å; P95-F98 HydrophobicContact CG-CE2 3.9Å; P95-F98 PolarHBondContact O-N 3.36Å; P95-Y147 HydrophobicContact CG-CD1 4.34Å; P95-Y147 HydrophobicContact CG-CG 4.4Å
96	A	67.3	Low	79.9	Confident	81 Å²	81	71.1 Å²	71.1	67%	0.669	39%	0.391	S	S	*	.	G	3₁₀ helix	trans	-54.1	-30	-175.8	0	0	0	0	0	113.9	P94 F98 A99	P94-A96 PolarHBondContact O-N 2.74Å; A96-F98 PolarHBondContact O-N 3.18Å; A96-F98 VanDerWaalsContact O-N 3.15Å; A96-A99 WeakPolarHBondContact O-CB 3.19Å; A96-A99 PolarHBondContact O-N 2.9Å; A96-A99 VanDerWaalsContact O-N 3.17Å
97	R	56	Low	79.9	Confident	208 Å²	208	70 Å²	70	79%	0.785	39%	0.385	S	S	*	.	G	3₁₀ helix	trans	-62	-15.9	175.3	66.9	-178.6	179.9	-167.1	-1.8	114.7	P95	P95-R97 HydrophobicContact CB-CG 4.05Å; P95-R97 PolarHBondContact O-N 2.99Å
98	F	54.4	Low	80	Confident	83 Å²	83	65.2 Å²	65.2	36%	0.364	36%	0.36	S	S	.	.	G	3₁₀ helix	trans	-102.1	8.8	179.4	-61.8	-66.9	0	0	0	112.8	P95 A96 P100 P101 Y147	P95-F98 HydrophobicContact CB-CD2 3.69Å; P95-F98 HydrophobicContact CB-CE2 4.02Å; P95-F98 HydrophobicContact CG-CD2 3.78Å; P95-F98 HydrophobicContact CG-CE2 3.9Å; P95-F98 PolarHBondContact O-N 3.36Å; A96-F98 PolarHBondContact O-N 3.18Å; A96-F98 VanDerWaalsContact O-N 3.15Å; F98-P100 CarbonylContact O-C 3.57Å; F98-P101 WeakPolarHBondContact O-CA 3.45Å; F98-P101 VanDerWaalsContact O-CB 3.31Å; F98-P101 WeakPolarHBondContact O-CB 3.47Å; F98-P101 WeakPolarHBondContact O-CD 3.33Å; F98-Y147 HydrophobicContact CD2-CE1 4.37Å
99	A	58.9	Low	80.2	Confident	76 Å²	76	62.8 Å²	62.8	63%	0.628	34%	0.343	S	S	*	.	P	Polyproline II helix	trans	-94.1	134.9	-177.1	0	0	0	0	0	113.8	A96	A96-A99 WeakPolarHBondContact O-CB 3.19Å; A96-A99 PolarHBondContact O-N 2.9Å; A96-A99 VanDerWaalsContact O-N 3.17Å
100	P	56.9	Low	80.2	Confident	106 Å²	106	66.7 Å²	66.7	69%	0.688	37%	0.366	S	S	*	.	S	Bend	cis	-80.5	126.4	-13.9	30	-28.6	0	0	0	110.5	F98	F98-P100 CarbonylContact O-C 3.57Å
101	P	62.1	Low	80.4	Confident	31 Å²	31	64 Å²	64	20%	0.201	35%	0.354	C	S	.	.	P	Polyproline II helix	trans	-67.2	143	-178.5	24.3	-27.7	0	0	0	108.9	F98 Q105 T106 E200	F98-P101 WeakPolarHBondContact O-CA 3.45Å; F98-P101 VanDerWaalsContact O-CB 3.31Å; F98-P101 WeakPolarHBondContact O-CB 3.47Å; F98-P101 WeakPolarHBondContact O-CD 3.33Å; P101-Q105 HydrophobicContact CB-CB 4.4Å; P101-T106 HydrophobicContact CG-CG2 4.34Å; P101-E200 HydrophobicContact CG-CB 4.45Å; P101-E200 HydrophobicContact CG-CG 3.67Å
102	S	77.9	Confident	80.6	Confident	58 Å²	58	61.3 Å²	61.3	41%	0.406	34%	0.344	S	S	.	.	P	Polyproline II helix	trans	-61.4	144.8	167.7	69.6	0	0	0	0	108.6	R104 Q105	S102-R104 PolarHBondContact O-N 2.87Å; S102-Q105 WeakPolarHBondContact O-CB 3.4Å; S102-Q105 PolarHBondContact O-N 3.05Å; S102-Q105 WeakPolarHBondContact OG-CG 3.44Å; S102-Q105 PolarHBondContact OG-OE1 2.96Å
103	L	84.7	Confident	81	Confident	55 Å²	55	62.6 Å²	62.6	29%	0.288	35%	0.348	S	S	.	.	G	3₁₀ helix	trans	-48.4	-36.1	177.7	-177.8	70.8	0	0	0	111.6	Q105 T106 Y140 L288 L289	L103-Q105 PolarHBondContact O-N 3.29Å; L103-T106 WeakPolarHBondContact O-CB 3.46Å; L103-T106 PolarHBondContact O-N 2.95Å; L103-T106 PolarHBondContact O-OG1 3.12Å; L103-Y140 HydrophobicContact CD1-CE2 4.28Å; L103-Y140 HydrophobicContact CG-CE2 4.38Å; L103-Y140 WeakPolarHBondContact O-CD2 3.25Å; L103-L288 HydrophobicContact CD1-CB 3.81Å; L103-L288 HydrophobicContact CD2-CB 3.9Å; L103-L288 HydrophobicContact CD2-CD1 4.04Å; L103-L288 HydrophobicContact CD2-CG 4.46Å; L103-L288 HydrophobicContact CG-CB 4.37Å; L103-L289 HydrophobicContact CD1-CD2 4.24Å
104	R	88.9	Confident	81.9	Confident	172 Å²	172	60.7 Å²	60.7	65%	0.649	33%	0.327	S	S	*	.	G	3₁₀ helix	trans	-58.4	-20.5	178.2	-67.4	-170.2	178.3	-158	-2.3	115	S102 Y140 Q141	S102-R104 PolarHBondContact O-N 2.87Å; R104-Y140 PolarHBondContact O-N 2.96Å; R104-Q141 HydrophobicContact CB-CG 4.09Å
105	Q	88.8	Confident	82.7	Confident	77 Å²	77	62.4 Å²	62.4	36%	0.36	34%	0.337	S	S	.	.	G	3₁₀ helix	trans	-102.3	-2.1	-178.7	-66.3	167.3	-24.9	0	0	112.8	P101 S102 L103 K145	P101-Q105 HydrophobicContact CB-CB 4.4Å; S102-Q105 WeakPolarHBondContact O-CB 3.4Å; S102-Q105 PolarHBondContact O-N 3.05Å; S102-Q105 WeakPolarHBondContact OG-CG 3.44Å; S102-Q105 PolarHBondContact OG-OE1 2.96Å; L103-Q105 PolarHBondContact O-N 3.29Å; Q105-K145 PolarHBondContact O-NZ 3.4Å
106	T	93	Very high	83.7	Confident	3 Å²	3	61.7 Å²	61.7	2%	0.018	33%	0.331	C	S	.	.	S	Bend	trans	-84.3	158.5	179	69.8	0	0	0	0	110.2	P101 L103 D108 D139 Y140 E200 L289	P101-T106 HydrophobicContact CG-CG2 4.34Å; L103-T106 WeakPolarHBondContact O-CB 3.46Å; L103-T106 PolarHBondContact O-N 2.95Å; L103-T106 PolarHBondContact O-OG1 3.12Å; T106-D108 PolarHBondContact O-N 2.64Å; T106-D139 VanDerWaalsContact O-CA 3.22Å; T106-D139 WeakPolarHBondContact O-CA 3.49Å; T106-D139 WeakPolarHBondContact O-CB 3.08Å; T106-Y140 WeakPolarHBondContact O-CD2 3.44Å; T106-Y140 PolarHBondContact O-N 2.9Å; T106-Y140 VanDerWaalsContact OG1-CE2 3.3Å; T106-Y140 WeakPolarHBondContact OG1-CE2 3.21Å; T106-E200 WeakPolarHBondContact CB-OE2 3.39Å; T106-E200 HydrophobicContact CG2-CB 4.27Å; T106-E200 HydrophobicContact CG2-CG 3.92Å; T106-L289 HydrophobicContact CG2-CD2 3.77Å
107	S	95.2	Very high	84.9	Confident	1 Å²	1	60.1 Å²	60.1	1%	0.007	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.7	130.9	-176.4	-50.1	0	0	0	0	111.6	K145 D150 E200	S107-K145 VanDerWaalsContact OG-CE 3.3Å; S107-K145 WeakPolarHBondContact OG-CE 3.43Å; S107-D150 WeakPolarHBondContact CB-OD1 3.37Å; S107-D150 PolarHBondContact OG-OD1 2.84Å; S107-D150 PolarHBondContact OG-OD2 3.36Å; S107-E200 PolarHBondContact N-OE2 2.89Å
108	D	96.1	Very high	86.4	Confident	7 Å²	7	55.4 Å²	55.4	4%	0.037	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	116.3	-179.4	-176.5	-0.1	0	0	0	110.2	T106 V110 H111 S112 H138 Y140	T106-D108 PolarHBondContact O-N 2.64Å; D108-V110 PolarHBondContact O-N 3.21Å; D108-V110 WeakPolarHBondContact OD1-CB 3.32Å; D108-V110 PolarHBondContact OD1-N 3.39Å; D108-H111 IonicContact OD2-CE1 2.68Å; D108-H111 PolarHBondContact OD2-CE1 3.38Å; D108-H111 IonicContact OD2-CG 2.75Å; D108-H111 IonicContact OD2-ND1 3.53Å; D108-H111 PolarHBondContact OD2-ND1 3.2Å; D108-S112 VanDerWaalsContact O-CB 3.29Å; D108-S112 WeakPolarHBondContact O-CB 3.28Å; D108-S112 PolarHBondContact O-N 3.1Å; D108-S112 VanDerWaalsContact O-N 3.07Å; D108-S112 PolarHBondContact O-OG 2.96Å; D108-H138 PolarHBondContact N-O 3.49Å; D108-Y140 HydrophobicContact CB-CD1 3.85Å; D108-Y140 HydrophobicContact CB-CD2 3.84Å; D108-Y140 HydrophobicContact CB-CE1 4.05Å; D108-Y140 HydrophobicContact CB-CE2 4.06Å; D108-Y140 HydrophobicContact CB-CG 3.74Å; D108-Y140 VanDerWaalsContact CG-CD1 3.43Å; D108-Y140 WeakPolarHBondContact OD2-CD1 3.31Å
109	P	95.8	Very high	87.7	Confident	0 Å²	0	53.2 Å²	53.2	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.3	-25.1	178.9	26.8	-33.2	0	0	0	113.1	L195 V294 V298 I300	P109-L195 HydrophobicContact CB-CB 4.12Å; P109-L195 HydrophobicContact CB-CD2 3.87Å; P109-L195 HydrophobicContact CG-CD2 3.97Å; P109-V294 WeakPolarHBondContact CG-O 3.36Å; P109-V298 HydrophobicContact CB-CB 3.92Å; P109-V298 HydrophobicContact CB-CG1 3.77Å; P109-V298 HydrophobicContact CG-CB 3.67Å; P109-V298 HydrophobicContact CG-CG1 3.62Å; P109-V298 HydrophobicContact CG-CG2 4.31Å; P109-I300 HydrophobicContact CB-CG1 4.35Å
110	V	95.3	Very high	88.3	Confident	93 Å²	93	58 Å²	58	56%	0.564	31%	0.305	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72.6	-40.9	-177.7	177.8	0	0	0	0	112	D108	D108-V110 PolarHBondContact O-N 3.21Å; D108-V110 WeakPolarHBondContact OD1-CB 3.32Å; D108-V110 PolarHBondContact OD1-N 3.39Å
111	H	97	Very high	89	Confident	83 Å²	83	61.3 Å²	61.3	38%	0.384	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	-17.6	176.3	-66.8	104.1	0	0	0	112.9	D108 H138	D108-H111 IonicContact OD2-CE1 2.68Å; D108-H111 PolarHBondContact OD2-CE1 3.38Å; D108-H111 IonicContact OD2-CG 2.75Å; D108-H111 IonicContact OD2-ND1 3.53Å; D108-H111 PolarHBondContact OD2-ND1 3.2Å; H111-H138 HydrophobicContact CB-CB 3.84Å; H111-H138 PolarHBondContact O-ND1 2.67Å
112	S	98.3	Very high	89.3	Confident	0 Å²	0	63.6 Å²	63.6	0%	0	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	148.5	175.9	-59.7	0	0	0	0	110.5	D108 Q136 M137 H138 I300	D108-S112 VanDerWaalsContact O-CB 3.29Å; D108-S112 WeakPolarHBondContact O-CB 3.28Å; D108-S112 PolarHBondContact O-N 3.1Å; D108-S112 VanDerWaalsContact O-N 3.07Å; D108-S112 PolarHBondContact O-OG 2.96Å; S112-Q136 WeakPolarHBondContact CA-O 3.43Å; S112-M137 WeakPolarHBondContact OG-CA 3.45Å; S112-M137 WeakPolarHBondContact OG-CE 3.32Å; S112-H138 PolarHBondContact OG-N 3.44Å; S112-I300 WeakPolarHBondContact O-CG2 3.5Å
113	L	98.3	Very high	89.4	Confident	62 Å²	62	72.9 Å²	72.9	33%	0.325	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	153.7	-175.9	-64.7	164.4	0	0	0	110.4	Q136 H301	L113-Q136 PolarHBondContact N-O 3.38Å; L113-Q136 PolarHBondContact O-N 2.99Å; L113-H301 CarbonylContact C-O 3.3Å; L113-H301 VanDerWaalsContact CA-O 3.28Å; L113-H301 WeakPolarHBondContact CA-O 3.34Å; L113-H301 HydrophobicContact CD2-CB 4.33Å
114	F	98.5	Very high	89.5	Confident	5 Å²	5	75.1 Å²	75.1	2%	0.022	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	153.1	166.5	77.7	-94.4	0	0	0	112.4	I116 A133 L134 V135 V191 I193 I300 H301 A302 S303 D306	F114-I116 HydrophobicContact CE2-CG1 4.37Å; F114-A133 HydrophobicContact CD2-CB 4.42Å; F114-L134 CarbonylContact C-O 3.52Å; F114-L134 WeakPolarHBondContact CA-O 3.22Å; F114-V135 HydrophobicContact CB-CB 4.44Å; F114-V135 HydrophobicContact CB-CG2 3.96Å; F114-V191 HydrophobicContact CD2-CG1 4.13Å; F114-V191 HydrophobicContact CE2-CB 3.86Å; F114-V191 HydrophobicContact CE2-CG1 3.54Å; F114-V191 HydrophobicContact CZ-CB 4.14Å; F114-V191 HydrophobicContact CZ-CG1 3.88Å; F114-I193 HydrophobicContact CB-CD1 3.76Å; F114-I193 HydrophobicContact CD1-CB 4.35Å; F114-I193 HydrophobicContact CD1-CD1 4.06Å; F114-I193 HydrophobicContact CD1-CG1 4.39Å; F114-I193 HydrophobicContact CD2-CD1 4.03Å; F114-I193 HydrophobicContact CG-CD1 3.7Å; F114-I193 HydrophobicContact CG-CG1 4.47Å; F114-I300 HydrophobicContact CD1-CG2 4.25Å; F114-I300 WeakPolarHBondContact CD1-O 3.24Å; F114-I300 VanDerWaalsContact CE1-O 3.24Å; F114-I300 WeakPolarHBondContact CE1-O 3.3Å; F114-H301 WeakPolarHBondContact CD1-O 3.32Å; F114-H301 PolarHBondContact N-O 3.09Å; F114-A302 HydrophobicContact CD1-CB 4.38Å; F114-A302 HydrophobicContact CD2-CB 4.37Å; F114-A302 HydrophobicContact CE1-CB 3.86Å; F114-A302 HydrophobicContact CE2-CB 3.84Å; F114-A302 HydrophobicContact CZ-CB 3.58Å; F114-A302 CarbonylContact O-C 3.54Å; F114-A302 WeakPolarHBondContact O-CA 3.27Å; F114-S303 PolarHBondContact O-N 3.24Å; F114-D306 HydrophobicContact CE2-CB 4.4Å; F114-D306 HydrophobicContact CZ-CB 3.98Å
115	T	97.8	Very high	89.7	Confident	68 Å²	68	68.4 Å²	68.4	42%	0.417	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	130.4	176.5	-57.8	0	0	0	0	109.6	L117 A133 L134	T115-L117 PolarHBondContact O-N 2.67Å; T115-A133 CarbonylContact O-C 3.28Å; T115-A133 WeakPolarHBondContact O-CA 3.48Å; T115-L134 PolarHBondContact N-O 3.15Å; T115-L134 PolarHBondContact O-N 3.45Å
116	I	96.6	Very high	89.9	Confident	27 Å²	27	66.4 Å²	66.4	14%	0.138	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	123	170.7	-61.7	-178.5	0	0	0	108.3	F114 L131 V191 K305 I308	F114-I116 HydrophobicContact CE2-CG1 4.37Å; I116-L131 HydrophobicContact CG2-CD1 3.46Å; I116-L131 VanDerWaalsContact CG2-CD1 3.46Å; I116-L131 HydrophobicContact CG2-CG 4.29Å; I116-V191 HydrophobicContact CD1-CB 4.35Å; I116-V191 HydrophobicContact CD1-CG2 3.75Å; I116-V191 HydrophobicContact CG1-CG2 4.18Å; I116-K305 WeakPolarHBondContact CD1-O 3.25Å; I116-I308 HydrophobicContact CD1-CG2 4.06Å; I116-I308 HydrophobicContact CG2-CG2 4.37Å
117	L	93.4	Very high	89.8	Confident	47 Å²	47	69 Å²	69	25%	0.246	33%	0.328	C	S	.	.	P	Polyproline II helix	trans	-74	143.4	177.8	-61	-173.1	0	0	0	110.2	T115 W125 E132 L134	T115-L117 PolarHBondContact O-N 2.67Å; L117-W125 WeakPolarHBondContact O-CZ2 3.42Å; L117-E132 WeakPolarHBondContact CB-O 3.33Å; L117-E132 HydrophobicContact CD1-CB 4.24Å; L117-E132 HydrophobicContact CD1-CG 3.76Å; L117-E132 HydrophobicContact CG-CG 4.43Å; L117-E132 PolarHBondContact N-O 2.92Å; L117-L134 HydrophobicContact CD2-CB 4.04Å; L117-L134 HydrophobicContact CG-CB 4.35Å
118	P	87.1	Confident	89.5	Confident	109 Å²	109	72.3 Å²	72.3	71%	0.708	36%	0.362	S	S	*	.	P	Polyproline II helix	trans	-62.8	146.4	175.1	27.4	-33.7	0	0	0	110.2	K120	P118-K120 PolarHBondContact O-N 3.2Å
119	H	80.9	Confident	89.3	Confident	37 Å²	37	73.1 Å²	73.1	17%	0.171	37%	0.366	C	S	.	.	P	Polyproline II helix	trans	-60.9	127.2	174.2	-174.1	-52.8	0	0	0	109.2	E121 R122 W125 D129	H119-E121 VanDerWaalsContact C-N 3.32Å; H119-E121 PolarHBondContact ND1-N 3.39Å; H119-E121 VanDerWaalsContact ND1-N 3.1Å; H119-E121 PolarHBondContact O-N 2.9Å; H119-R122 VanDerWaalsContact CB-O 3.32Å; H119-R122 WeakPolarHBondContact CB-O 3.29Å; H119-R122 PolarHBondContact ND1-N 3.23Å; H119-W125 HydrophobicContact CB-CD2 4.31Å; H119-W125 HydrophobicContact CB-CE3 4.23Å; H119-W125 HydrophobicContact CB-CH2 3.63Å; H119-W125 HydrophobicContact CB-CZ2 3.71Å; H119-W125 HydrophobicContact CB-CZ3 3.9Å; H119-W125 AromaticContact CD2-CE3 3.45Å; H119-W125 VanDerWaalsContact CD2-CE3 3.45Å; H119-W125 AromaticContact CD2-CZ3 3.42Å; H119-W125 VanDerWaalsContact CD2-CZ3 3.42Å; H119-W125 WeakPolarHBondContact CD2-CZ3 3.48Å; H119-W125 AromaticContact CG-CZ3 3.93Å; H119-D129 IonicContact CD2-OD2 3.94Å; H119-D129 IonicContact NE2-OD1 3.41Å; H119-D129 IonicContact NE2-OD2 3.87Å; H119-D129 PolarHBondContact NE2-OD2 3.46Å
120	K	72.8	Confident	89.1	Confident	178 Å²	178	76.8 Å²	76.8	77%	0.774	38%	0.383	S	S	*	.	S	Bend	trans	-65.8	-32.8	-170.5	-67.1	178.9	-175.8	167.5	0	113.2	P118 E132	P118-K120 PolarHBondContact O-N 3.2Å; K120-E132 IonicContact NZ-OE2 3.68Å
121	E	70.7	Confident	89.1	Confident	175 Å²	175	72.4 Å²	72.4	82%	0.818	36%	0.356	S	S	*	.	S	Bend	trans	-113.2	-18.2	-172.3	-55.8	178.6	173.8	0	0	115.6	H119	H119-E121 VanDerWaalsContact C-N 3.32Å; H119-E121 PolarHBondContact ND1-N 3.39Å; H119-E121 VanDerWaalsContact ND1-N 3.1Å; H119-E121 PolarHBondContact O-N 2.9Å
122	R	69.4	Low	89	Confident	79 Å²	79	70.5 Å²	70.5	30%	0.298	35%	0.348	S	S	.	.			trans	-138.6	160.8	-169.8	-70.9	179.5	167.5	162.3	-6.6	109.9	H119 E314 D317	H119-R122 VanDerWaalsContact CB-O 3.32Å; H119-R122 WeakPolarHBondContact CB-O 3.29Å; H119-R122 PolarHBondContact ND1-N 3.23Å; R122-E314 IonicContact CZ-OE1 3.54Å; R122-E314 IonicContact CZ-OE2 3.89Å; R122-E314 IonicContact NE-OE1 2.76Å; R122-E314 IonicContact NH2-OE1 2.82Å; R122-E314 IonicContact NH2-OE2 2.71Å; R122-E314 PolarHBondContact NH2-OE2 2.99Å; R122-D317 IonicContact NH1-OD2 2.84Å; R122-D317 IonicContact NH2-OD2 3.81Å
123	R	78.2	Confident	89	Confident	253 Å²	253	70.5 Å²	70.5	96%	0.955	35%	0.348	S	S	*	.	S	Bend	trans	-86.4	-21.7	172.5	-77.7	-175.2	176.2	179.8	0.2	113.2
124	E	88.3	Confident	89	Confident	102 Å²	102	70.2 Å²	70.2	48%	0.477	35%	0.346	S	S	.	.	S	Bend	trans	-115.9	148.1	-173.3	-60.1	-179.8	158.3	0	0	110.2	R126 L311	E124-R126 IonicContact OE2-CZ 3.79Å; E124-R126 IonicContact OE2-NH2 3.54Å; E124-R126 PolarHBondContact OE2-NH2 3.34Å; E124-R126 VanDerWaalsContact OE2-NH2 3.09Å; E124-L311 HydrophobicContact CB-CD1 3.93Å; E124-L311 HydrophobicContact CG-CD1 4.17Å; E124-L311 WeakPolarHBondContact OE2-CD1 3.49Å
125	W	92.6	Very high	89	Confident	30 Å²	30	70 Å²	70	11%	0.114	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	133.6	174.9	-65.3	103.3	0	0	0	109.9	L117 H119 D129 L131 L183 I308 V310 L311	L117-W125 WeakPolarHBondContact O-CZ2 3.42Å; H119-W125 HydrophobicContact CB-CD2 4.31Å; H119-W125 HydrophobicContact CB-CE3 4.23Å; H119-W125 HydrophobicContact CB-CH2 3.63Å; H119-W125 HydrophobicContact CB-CZ2 3.71Å; H119-W125 HydrophobicContact CB-CZ3 3.9Å; H119-W125 AromaticContact CD2-CE3 3.45Å; H119-W125 VanDerWaalsContact CD2-CE3 3.45Å; H119-W125 AromaticContact CD2-CZ3 3.42Å; H119-W125 VanDerWaalsContact CD2-CZ3 3.42Å; H119-W125 WeakPolarHBondContact CD2-CZ3 3.48Å; H119-W125 AromaticContact CG-CZ3 3.93Å; W125-D129 HydrophobicContact CE3-CB 4.16Å; W125-L131 HydrophobicContact CD2-CD1 4.04Å; W125-L131 HydrophobicContact CE3-CD1 4.16Å; W125-L131 HydrophobicContact CH2-CD1 3.46Å; W125-L131 VanDerWaalsContact CH2-CD1 3.46Å; W125-L131 HydrophobicContact CZ2-CD1 3.28Å; W125-L131 HydrophobicContact CZ3-CB 4.34Å; W125-L131 HydrophobicContact CZ3-CD1 3.9Å; W125-L183 HydrophobicContact CB-CD1 3.7Å; W125-L183 HydrophobicContact CD2-CD1 4.13Å; W125-L183 HydrophobicContact CE3-CD1 3.7Å; W125-L183 HydrophobicContact CG-CD1 4.17Å; W125-I308 HydrophobicContact CB-CD1 4.21Å; W125-I308 HydrophobicContact CD2-CD1 4.26Å; W125-I308 HydrophobicContact CG-CD1 3.89Å; W125-V310 CarbonylContact O-C 3.59Å; W125-V310 WeakPolarHBondContact O-CA 3.31Å; W125-L311 PolarHBondContact O-N 3.23Å
126	R	92.3	Very high	89	Confident	36 Å²	36	70.6 Å²	70.6	14%	0.136	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	162.8	177.8	-61.9	-169.9	-179.7	-66.1	-10.7	111.3	E124 G128 D129 L311 P312 E314	E124-R126 IonicContact OE2-CZ 3.79Å; E124-R126 IonicContact OE2-NH2 3.54Å; E124-R126 PolarHBondContact OE2-NH2 3.34Å; E124-R126 VanDerWaalsContact OE2-NH2 3.09Å; R126-G128 PolarHBondContact O-N 3.32Å; R126-D129 PolarHBondContact N-OD2 3.4Å; R126-D129 WeakPolarHBondContact O-CB 3.08Å; R126-D129 PolarHBondContact O-N 3.37Å; R126-L311 WeakPolarHBondContact CA-O 3.17Å; R126-L311 HydrophobicContact CG-CB 4.25Å; R126-P312 WeakPolarHBondContact CD-O 3.48Å; R126-P312 PolarHBondContact NH1-O 2.8Å; R126-E314 IonicContact CZ-OE1 3.16Å; R126-E314 IonicContact NE-OE1 3.64Å; R126-E314 PolarHBondContact NE-OE1 2.7Å; R126-E314 IonicContact NH2-OE1 3.97Å; R126-E314 PolarHBondContact NH2-OE1 2.94Å
127	I	92.2	Very high	89.1	Confident	58 Å²	58	69.3 Å²	69.3	30%	0.297	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.3	136.5	168.1	-70	-179.3	0	0	0	109.3	V186 V310 L311 P313	I127-V186 HydrophobicContact CD1-CG2 3.46Å; I127-V186 VanDerWaalsContact CD1-CG2 3.46Å; I127-V186 HydrophobicContact CG1-CG2 4.16Å; I127-V310 HydrophobicContact CG1-CG1 4.1Å; I127-L311 PolarHBondContact N-O 2.84Å; I127-P313 HydrophobicContact CB-CG 4.23Å
128	G	88.4	Confident	89.3	Confident	69 Å²	69	68.1 Å²	68.1	71%	0.711	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	96.3	-20.3	-177.9	0	0	0	0	0	113.6	R126 L183	R126-G128 PolarHBondContact O-N 3.32Å; G128-L183 PolarHBondContact N-O 2.93Å
129	D	91.2	Very high	89.7	Confident	25 Å²	25	63.3 Å²	63.3	13%	0.134	30%	0.298	C	S	.	.			trans	-68.5	162.4	173.4	-61.2	-18.1	0	0	0	111.2	H119 W125 R126 L183	H119-D129 IonicContact CD2-OD2 3.94Å; H119-D129 IonicContact NE2-OD1 3.41Å; H119-D129 IonicContact NE2-OD2 3.87Å; H119-D129 PolarHBondContact NE2-OD2 3.46Å; W125-D129 HydrophobicContact CE3-CB 4.16Å; R126-D129 PolarHBondContact N-OD2 3.4Å; R126-D129 WeakPolarHBondContact O-CB 3.08Å; R126-D129 PolarHBondContact O-N 3.37Å; D129-L183 HydrophobicContact CB-CD1 4.07Å; D129-L183 HydrophobicContact CB-CG 4.48Å; D129-L183 PolarHBondContact O-N 3.49Å
130	Q	92.1	Very high	90.3	Very high	77 Å²	77	64.2 Å²	64.2	36%	0.36	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	116.2	172.1	-176.3	172.2	59	0	0	109.7	L180 F181	Q130-L180 HydrophobicContact CG-CB 4.46Å; Q130-F181 CarbonylContact C-O 3.54Å; Q130-F181 WeakPolarHBondContact CA-O 3.47Å
131	L	94.6	Very high	91.4	Very high	0 Å²	0	60.1 Å²	60.1	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	132.2	172.5	-176.1	71.6	0	0	0	109.7	I116 W125 L156 L180 F181 L183 V191 I308	I116-L131 HydrophobicContact CG2-CD1 3.46Å; I116-L131 VanDerWaalsContact CG2-CD1 3.46Å; I116-L131 HydrophobicContact CG2-CG 4.29Å; W125-L131 HydrophobicContact CD2-CD1 4.04Å; W125-L131 HydrophobicContact CE3-CD1 4.16Å; W125-L131 HydrophobicContact CH2-CD1 3.46Å; W125-L131 VanDerWaalsContact CH2-CD1 3.46Å; W125-L131 HydrophobicContact CZ2-CD1 3.28Å; W125-L131 HydrophobicContact CZ3-CB 4.34Å; W125-L131 HydrophobicContact CZ3-CD1 3.9Å; L131-L156 HydrophobicContact CD2-CD1 3.99Å; L131-L180 WeakPolarHBondContact O-CA 3.27Å; L131-F181 HydrophobicContact CB-CB 4.26Å; L131-F181 HydrophobicContact CD2-CD2 4.12Å; L131-F181 HydrophobicContact CG-CD2 4.46Å; L131-F181 PolarHBondContact N-O 2.93Å; L131-F181 PolarHBondContact O-N 3.5Å; L131-L183 HydrophobicContact CB-CD2 3.95Å; L131-L183 HydrophobicContact CB-CG 4.41Å; L131-V191 HydrophobicContact CD2-CG2 3.64Å; L131-I308 HydrophobicContact CD1-CD1 3.98Å; L131-I308 HydrophobicContact CD1-CG2 4.39Å; L131-I308 HydrophobicContact CD2-CD1 3.84Å; L131-I308 HydrophobicContact CD2-CG1 4.48Å; L131-I308 HydrophobicContact CG-CD1 4.39Å
132	E	95.8	Very high	92.6	Very high	43 Å²	43	53.4 Å²	53.4	20%	0.201	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	129.1	172.5	-174.4	173.3	-172.4	0	0	109.7	L117 K120 S178 V179 L180	L117-E132 WeakPolarHBondContact CB-O 3.33Å; L117-E132 HydrophobicContact CD1-CB 4.24Å; L117-E132 HydrophobicContact CD1-CG 3.76Å; L117-E132 HydrophobicContact CG-CG 4.43Å; L117-E132 PolarHBondContact N-O 2.92Å; K120-E132 IonicContact NZ-OE2 3.68Å; E132-S178 WeakPolarHBondContact OE1-CB 3.3Å; E132-S178 PolarHBondContact OE1-OG 2.92Å; E132-V179 CarbonylContact C-O 3.59Å; E132-V179 WeakPolarHBondContact CA-O 3.43Å; E132-L180 HydrophobicContact CB-CD2 4.1Å; E132-L180 HydrophobicContact CG-CD2 3.87Å
133	A	97.3	Very high	93.9	Very high	0 Å²	0	55 Å²	55	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	134.5	169.6	0	0	0	0	0	109.7	F114 T115 S178 V179 F181 V191 I193	F114-A133 HydrophobicContact CD2-CB 4.42Å; T115-A133 CarbonylContact O-C 3.28Å; T115-A133 WeakPolarHBondContact O-CA 3.48Å; A133-S178 CarbonylContact O-C 3.6Å; A133-V179 HydrophobicContact CB-CB 4.43Å; A133-V179 PolarHBondContact N-O 3.32Å; A133-V179 PolarHBondContact O-N 3.46Å; A133-F181 HydrophobicContact CB-CE2 4.26Å; A133-V191 HydrophobicContact CB-CG1 4.45Å; A133-I193 HydrophobicContact CB-CD1 4.38Å
134	L	98.1	Very high	94.7	Very high	56 Å²	56	45.7 Å²	45.7	29%	0.293	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	124.7	176.2	-165.4	74.9	0	0	0	109.3	F114 T115 L117 I176 Y177	F114-L134 CarbonylContact C-O 3.52Å; F114-L134 WeakPolarHBondContact CA-O 3.22Å; T115-L134 PolarHBondContact N-O 3.15Å; T115-L134 PolarHBondContact O-N 3.45Å; L117-L134 HydrophobicContact CD2-CB 4.04Å; L117-L134 HydrophobicContact CG-CB 4.35Å; L134-I176 HydrophobicContact CD1-CG2 3.41Å; L134-I176 VanDerWaalsContact CD1-CG2 3.41Å; L134-I176 HydrophobicContact CD2-CG2 4.13Å; L134-I176 HydrophobicContact CG-CG2 3.73Å; L134-Y177 WeakPolarHBondContact CA-O 3.46Å
135	V	98.7	Very high	95	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	130.6	174.9	-170.5	0	0	0	0	108.6	F114 M137 L152 I176 Y177 V179 I193 I300	F114-V135 HydrophobicContact CB-CB 4.44Å; F114-V135 HydrophobicContact CB-CG2 3.96Å; V135-M137 HydrophobicContact CG1-SD 3.79Å; V135-L152 HydrophobicContact CB-CD1 4.48Å; V135-L152 HydrophobicContact CG1-CD1 4.21Å; V135-I176 CarbonylContact O-C 3.41Å; V135-I176 VanDerWaalsContact O-CA 3.31Å; V135-I176 WeakPolarHBondContact O-CA 3.47Å; V135-Y177 PolarHBondContact N-O 3.48Å; V135-Y177 PolarHBondContact O-N 2.71Å; V135-V179 HydrophobicContact CG2-CG2 3.81Å; V135-I193 HydrophobicContact CG2-CD1 3.48Å; V135-I193 VanDerWaalsContact CG2-CD1 3.48Å; V135-I193 HydrophobicContact CG2-CG2 4.11Å; V135-I300 HydrophobicContact CG1-CD1 3.92Å; V135-I300 HydrophobicContact CG1-CG2 4.43Å
136	Q	98.3	Very high	95	Very high	81 Å²	81	47.3 Å²	47.3	38%	0.379	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	110.4	173.7	-170.8	179.4	-19.6	0	0	109.3	S112 L113 H138	S112-Q136 WeakPolarHBondContact CA-O 3.43Å; L113-Q136 PolarHBondContact N-O 3.38Å; L113-Q136 PolarHBondContact O-N 2.99Å; Q136-H138 VanDerWaalsContact CD-CE1 3.47Å; Q136-H138 VanDerWaalsContact CG-CE1 3.49Å; Q136-H138 WeakPolarHBondContact CG-CE1 3.31Å; Q136-H138 PolarHBondContact NE2-CE1 2.78Å; Q136-H138 VanDerWaalsContact NE2-CE1 3.35Å; Q136-H138 PolarHBondContact NE2-NE2 2.83Å; Q136-H138 PolarHBondContact O-ND1 2.59Å; Q136-H138 VanDerWaalsContact O-ND1 3.12Å
137	M	98	Very high	95	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	137	179	-60.4	-56	-64.3	0	0	110.6	S112 V135 K145 D150 L152 G175 Y177 L195 I300	S112-M137 WeakPolarHBondContact OG-CA 3.45Å; S112-M137 WeakPolarHBondContact OG-CE 3.32Å; V135-M137 HydrophobicContact CG1-SD 3.79Å; M137-K145 HydrophobicContact CB-CB 4.13Å; M137-K145 HydrophobicContact CB-CG 3.82Å; M137-K145 WeakPolarHBondContact O-CB 3.38Å; M137-K145 WeakPolarHBondContact O-CG 3.37Å; M137-K145 PolarHBondContact O-N 2.8Å; M137-D150 HydrophobicContact CE-CB 4.49Å; M137-L152 HydrophobicContact CE-CD2 4.49Å; M137-L152 HydrophobicContact SD-CD1 4.46Å; M137-L152 HydrophobicContact SD-CD2 4.28Å; M137-G175 WeakPolarHBondContact CB-O 3.35Å; M137-G175 PolarHBondContact N-O 2.82Å; M137-Y177 HydrophobicContact CB-CE2 4.39Å; M137-Y177 HydrophobicContact CG-CD2 3.78Å; M137-Y177 HydrophobicContact CG-CE2 3.34Å; M137-L195 HydrophobicContact CE-CD1 3.99Å; M137-L195 HydrophobicContact CE-CD2 4.2Å; M137-I300 HydrophobicContact CE-CD1 4.12Å; M137-I300 HydrophobicContact SD-CD1 3.65Å
138	H	97.6	Very high	95.1	Very high	23 Å²	23	44 Å²	44	11%	0.106	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	156.6	175.4	-68.1	77.8	0	0	0	110.3	D108 H111 S112 Q136 G142 R143	D108-H138 PolarHBondContact N-O 3.49Å; H111-H138 HydrophobicContact CB-CB 3.84Å; H111-H138 PolarHBondContact O-ND1 2.67Å; S112-H138 PolarHBondContact OG-N 3.44Å; Q136-H138 VanDerWaalsContact CD-CE1 3.47Å; Q136-H138 VanDerWaalsContact CG-CE1 3.49Å; Q136-H138 WeakPolarHBondContact CG-CE1 3.31Å; Q136-H138 PolarHBondContact NE2-CE1 2.78Å; Q136-H138 VanDerWaalsContact NE2-CE1 3.35Å; Q136-H138 PolarHBondContact NE2-NE2 2.83Å; Q136-H138 PolarHBondContact O-ND1 2.59Å; Q136-H138 VanDerWaalsContact O-ND1 3.12Å; H138-G142 PolarHBondContact CD2-O 2.87Å; H138-R143 CarbonylContact C-O 3.59Å; H138-R143 VanDerWaalsContact CA-O 3.25Å; H138-R143 WeakPolarHBondContact CA-O 3.42Å; H138-R143 VanDerWaalsContact CD2-C 3.5Å
139	D	95.6	Very high	95.5	Very high	7 Å²	7	40.7 Å²	40.7	4%	0.037	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	173.9	169.7	72.7	9.9	0	0	0	112.3	T106 Q141 G142 R143 K145	T106-D139 VanDerWaalsContact O-CA 3.22Å; T106-D139 WeakPolarHBondContact O-CA 3.49Å; T106-D139 WeakPolarHBondContact O-CB 3.08Å; D139-Q141 PolarHBondContact O-N 2.97Å; D139-Q141 VanDerWaalsContact OD1-CA 3.3Å; D139-Q141 WeakPolarHBondContact OD1-CA 3.47Å; D139-Q141 WeakPolarHBondContact OD1-CB 3.44Å; D139-Q141 PolarHBondContact OD1-N 2.81Å; D139-G142 PolarHBondContact O-N 2.85Å; D139-G142 PolarHBondContact OD1-N 2.5Å; D139-R143 PolarHBondContact N-O 2.87Å; D139-R143 WeakPolarHBondContact OD1-CB 3.45Å; D139-R143 PolarHBondContact OD1-N 2.88Å; D139-R143 IonicContact OD1-NE 2.88Å; D139-R143 IonicContact OD2-CZ 3.71Å; D139-R143 VanDerWaalsContact OD2-CZ 3.31Å; D139-R143 IonicContact OD2-NE 3.55Å; D139-R143 PolarHBondContact OD2-NE 2.86Å; D139-R143 IonicContact OD2-NH2 3.64Å; D139-R143 PolarHBondContact OD2-NH2 3.22Å; D139-K145 HydrophobicContact CB-CD 4.29Å
140	Y	95	Very high	95.8	Very high	56 Å²	56	39.7 Å²	39.7	22%	0.22	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-6.3	176.2	-78.3	-85.6	0	0	0	114.4	L103 R104 T106 D108 N295	L103-Y140 HydrophobicContact CD1-CE2 4.28Å; L103-Y140 HydrophobicContact CG-CE2 4.38Å; L103-Y140 WeakPolarHBondContact O-CD2 3.25Å; R104-Y140 PolarHBondContact O-N 2.96Å; T106-Y140 WeakPolarHBondContact O-CD2 3.44Å; T106-Y140 PolarHBondContact O-N 2.9Å; T106-Y140 VanDerWaalsContact OG1-CE2 3.3Å; T106-Y140 WeakPolarHBondContact OG1-CE2 3.21Å; D108-Y140 HydrophobicContact CB-CD1 3.85Å; D108-Y140 HydrophobicContact CB-CD2 3.84Å; D108-Y140 HydrophobicContact CB-CE1 4.05Å; D108-Y140 HydrophobicContact CB-CE2 4.06Å; D108-Y140 HydrophobicContact CB-CG 3.74Å; D108-Y140 VanDerWaalsContact CG-CD1 3.43Å; D108-Y140 WeakPolarHBondContact OD2-CD1 3.31Å; Y140-N295 PolarHBondContact OH-ND2 2.77Å
141	Q	95.1	Very high	96.1	Very high	93 Å²	93	36.1 Å²	36.1	44%	0.435	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.7	4.8	171	-59.6	-174	-43.1	0	0	112	R104 D139 R143	R104-Q141 HydrophobicContact CB-CG 4.09Å; D139-Q141 PolarHBondContact O-N 2.97Å; D139-Q141 VanDerWaalsContact OD1-CA 3.3Å; D139-Q141 WeakPolarHBondContact OD1-CA 3.47Å; D139-Q141 WeakPolarHBondContact OD1-CB 3.44Å; D139-Q141 PolarHBondContact OD1-N 2.81Å; Q141-R143 VanDerWaalsContact C-N 3.29Å; Q141-R143 HydrophobicContact CB-CG 4.26Å; Q141-R143 PolarHBondContact O-N 3.3Å
142	G	95.6	Very high	96.3	Very high	33 Å²	33	36.5 Å²	36.5	34%	0.34	18%	0.179	S	C	.	.	S	Bend	trans	73	18.4	-177.1	0	0	0	0	0	113.5	H138 D139	H138-G142 PolarHBondContact CD2-O 2.87Å; D139-G142 PolarHBondContact O-N 2.85Å; D139-G142 PolarHBondContact OD1-N 2.5Å
143	R	96.1	Very high	96.4	Very high	113 Å²	113	35 Å²	35	43%	0.426	17%	0.172	S	C	.	.	P	Polyproline II helix	trans	-93.9	139	179.3	-58.3	177.6	-58.9	172	8.2	110.2	H138 D139 Q141 K145	H138-R143 CarbonylContact C-O 3.59Å; H138-R143 VanDerWaalsContact CA-O 3.25Å; H138-R143 WeakPolarHBondContact CA-O 3.42Å; H138-R143 VanDerWaalsContact CD2-C 3.5Å; D139-R143 PolarHBondContact N-O 2.87Å; D139-R143 WeakPolarHBondContact OD1-CB 3.45Å; D139-R143 PolarHBondContact OD1-N 2.88Å; D139-R143 IonicContact OD1-NE 2.88Å; D139-R143 IonicContact OD2-CZ 3.71Å; D139-R143 VanDerWaalsContact OD2-CZ 3.31Å; D139-R143 IonicContact OD2-NE 3.55Å; D139-R143 PolarHBondContact OD2-NE 2.86Å; D139-R143 IonicContact OD2-NH2 3.64Å; D139-R143 PolarHBondContact OD2-NH2 3.22Å; Q141-R143 VanDerWaalsContact C-N 3.29Å; Q141-R143 HydrophobicContact CB-CG 4.26Å; Q141-R143 PolarHBondContact O-N 3.3Å; R143-K145 PolarHBondContact O-N 3Å
144	P	96.7	Very high	96.4	Very high	58 Å²	58	35 Å²	35	38%	0.377	17%	0.173	S	C	.	.	B	Isolated β-bridge	trans	-56.9	138	177	-24.6	33	0	0	0	111.8
145	K	94.4	Very high	96.4	Very high	10 Å²	10	33.8 Å²	33.8	4%	0.043	16%	0.164	C	C	.	.	P	Polyproline II helix	trans	-69.2	155	170.4	-65.2	-72.3	-71.9	-167.4	0	109.8	Q105 S107 M137 D139 R143 Y147 N174 E200	Q105-K145 PolarHBondContact O-NZ 3.4Å; S107-K145 VanDerWaalsContact OG-CE 3.3Å; S107-K145 WeakPolarHBondContact OG-CE 3.43Å; M137-K145 HydrophobicContact CB-CB 4.13Å; M137-K145 HydrophobicContact CB-CG 3.82Å; M137-K145 WeakPolarHBondContact O-CB 3.38Å; M137-K145 WeakPolarHBondContact O-CG 3.37Å; M137-K145 PolarHBondContact O-N 2.8Å; D139-K145 HydrophobicContact CB-CD 4.29Å; R143-K145 PolarHBondContact O-N 3Å; K145-Y147 PolarHBondContact NZ-OH 3.47Å; K145-N174 CarbonylContact C-O 3.59Å; K145-E200 IonicContact NZ-OE1 3.76Å; K145-E200 PolarHBondContact NZ-OE1 2.92Å
146	H	91.8	Very high	96.4	Very high	155 Å²	155	33.9 Å²	33.9	72%	0.718	17%	0.165	S	C	*	.	S	Bend	trans	-123.9	12	179.4	-60.8	-47.9	0	0	0	112.7	N174	H146-N174 CarbonylContact C-O 3.57Å; H146-N174 WeakPolarHBondContact CA-O 3.44Å
147	Y	92.5	Very high	96.4	Very high	22 Å²	22	30.8 Å²	30.8	9%	0.086	15%	0.15	C	C	.	.			trans	-149.4	153.9	177.4	55.4	-92.2	0	0	0	109	P94 P95 F98 K145 R173 G175 S199 E200	P94-Y147 HydrophobicContact CB-CD2 4.18Å; P94-Y147 HydrophobicContact CB-CE2 3.63Å; P95-Y147 HydrophobicContact CG-CD1 4.34Å; P95-Y147 HydrophobicContact CG-CG 4.4Å; F98-Y147 HydrophobicContact CD2-CE1 4.37Å; K145-Y147 PolarHBondContact NZ-OH 3.47Å; Y147-R173 WeakPolarHBondContact CA-O 3.31Å; Y147-G175 WeakPolarHBondContact O-CA 3.49Å; Y147-G175 PolarHBondContact O-N 3.08Å; Y147-S199 VanDerWaalsContact CE2-OG 3.32Å; Y147-S199 WeakPolarHBondContact CE2-OG 3.18Å; Y147-E200 VanDerWaalsContact CE2-OE1 3.32Å; Y147-E200 WeakPolarHBondContact CE2-OE1 3.48Å; Y147-E200 VanDerWaalsContact CZ-OE1 3.3Å; Y147-E200 PolarHBondContact OH-OE1 2.89Å
148	G	94.4	Very high	96.4	Very high	3 Å²	3	30.8 Å²	30.8	3%	0.031	15%	0.15	C	C	.	.			trans	-93.2	-154.2	178.3	0	0	0	0	0	113.6	D171 Y177 S199	G148-D171 WeakPolarHBondContact CA-OD1 3.24Å; G148-D171 WeakPolarHBondContact CA-OD2 3.47Å; G148-Y177 VanDerWaalsContact CA-OH 3.26Å; G148-Y177 WeakPolarHBondContact CA-OH 3.32Å; G148-S199 VanDerWaalsContact O-CB 3.22Å; G148-S199 WeakPolarHBondContact O-CB 3.07Å
149	G	95.6	Very high	96.2	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	17%	0.165	C	C	.	.			trans	94.7	2.4	178.6	0	0	0	0	0	114.9	W91 P92 D171 Y177 S199	W91-G149 PolarHBondContact NE1-O 3.45Å; P92-G149 WeakPolarHBondContact O-CA 3.2Å; G149-D171 PolarHBondContact N-OD2 2.65Å; G149-Y177 PolarHBondContact N-OH 2.8Å; G149-Y177 VanDerWaalsContact N-OH 3.16Å; G149-S199 VanDerWaalsContact C-CB 3.41Å; G149-S199 VanDerWaalsContact O-CA 3.27Å; G149-S199 WeakPolarHBondContact O-CA 3.35Å
150	D	97.8	Very high	96.2	Very high	3 Å²	3	38.8 Å²	38.8	2%	0.016	19%	0.193	C	C	.	.			trans	-67.7	133.5	171.3	-55.6	-69.6	0	0	0	109.3	S107 M137 L152 Y177 L195 S198 S199	S107-D150 WeakPolarHBondContact CB-OD1 3.37Å; S107-D150 PolarHBondContact OG-OD1 2.84Å; S107-D150 PolarHBondContact OG-OD2 3.36Å; M137-D150 HydrophobicContact CE-CB 4.49Å; D150-L152 HydrophobicContact CB-CD2 4.27Å; D150-L152 HydrophobicContact CB-CG 4.49Å; D150-L152 PolarHBondContact O-N 2.84Å; D150-Y177 HydrophobicContact CB-CE2 4.45Å; D150-Y177 WeakPolarHBondContact CB-OH 3.47Å; D150-Y177 VanDerWaalsContact CG-OH 3.29Å; D150-Y177 PolarHBondContact N-OH 3.43Å; D150-Y177 PolarHBondContact OD2-OH 3Å; D150-L195 HydrophobicContact CB-CD1 3.89Å; D150-S198 WeakPolarHBondContact OD1-CA 3.44Å; D150-S199 PolarHBondContact OD1-N 2.89Å; D150-S199 PolarHBondContact OD1-OG 2.88Å
151	F	98.4	Very high	96.3	Very high	3 Å²	3	39 Å²	39	1%	0.013	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	101.4	176.5	179.5	-142.9	0	0	0	109.6	W91 L153 V196 H197 V202 D512 W513 L516 W537	W91-F151 HydrophobicContact CH2-CD2 4.01Å; W91-F151 HydrophobicContact CZ2-CB 4.11Å; W91-F151 HydrophobicContact CZ2-CD2 4.29Å; F151-L153 HydrophobicContact CE2-CD2 3.97Å; F151-L153 HydrophobicContact CE2-CG 4.37Å; F151-L153 HydrophobicContact CZ-CD2 3.89Å; F151-L153 HydrophobicContact CZ-CG 4.16Å; F151-V196 HydrophobicContact CD1-CB 3.48Å; F151-V196 VanDerWaalsContact CD1-CB 3.48Å; F151-V196 HydrophobicContact CD1-CG1 3.62Å; F151-V196 HydrophobicContact CD1-CG2 4.04Å; F151-V196 HydrophobicContact CE1-CB 3.81Å; F151-V196 HydrophobicContact CE1-CG1 3.7Å; F151-V196 HydrophobicContact CE1-CG2 3.95Å; F151-V196 HydrophobicContact CG-CB 4.14Å; F151-V196 HydrophobicContact CZ-CG2 4.41Å; F151-V196 WeakPolarHBondContact O-CB 3.47Å; F151-V196 PolarHBondContact O-N 2.78Å; F151-H197 HydrophobicContact CB-CB 4.37Å; F151-H197 PolarHBondContact N-O 2.8Å; F151-H197 PolarHBondContact O-N 2.98Å; F151-V202 HydrophobicContact CB-CG2 4Å; F151-D512 HydrophobicContact CE1-CB 3.81Å; F151-D512 HydrophobicContact CZ-CB 4.34Å; F151-W513 HydrophobicContact CD1-CB 3.68Å; F151-W513 HydrophobicContact CD1-CG 4.38Å; F151-W513 HydrophobicContact CE1-CB 4.03Å; F151-W513 VanDerWaalsContact CE1-N 3.35Å; F151-W513 HydrophobicContact CG-CB 4.33Å; F151-W513 AromaticContact CG-CD1 3.98Å; F151-L516 HydrophobicContact CD2-CD2 4.19Å; F151-L516 HydrophobicContact CE2-CD2 3.5Å; F151-L516 VanDerWaalsContact CE2-CD2 3.5Å; F151-L516 HydrophobicContact CZ-CB 4.39Å; F151-L516 HydrophobicContact CZ-CD2 4.04Å; F151-W537 HydrophobicContact CZ-CH2 4.05Å; F151-W537 HydrophobicContact CZ-CZ2 4.06Å
152	L	98.6	Very high	96.4	Very high	8 Å²	8	34.8 Å²	34.8	4%	0.042	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	142.5	177.5	-51.7	-178.5	0	0	0	111	V135 M137 D150 V169 Y177 T194 L195 I300	V135-L152 HydrophobicContact CB-CD1 4.48Å; V135-L152 HydrophobicContact CG1-CD1 4.21Å; M137-L152 HydrophobicContact CE-CD2 4.49Å; M137-L152 HydrophobicContact SD-CD1 4.46Å; M137-L152 HydrophobicContact SD-CD2 4.28Å; D150-L152 HydrophobicContact CB-CD2 4.27Å; D150-L152 HydrophobicContact CB-CG 4.49Å; D150-L152 PolarHBondContact O-N 2.84Å; L152-V169 HydrophobicContact CB-CG1 4.16Å; L152-V169 HydrophobicContact CB-CG2 4.28Å; L152-V169 HydrophobicContact CD1-CG1 4.35Å; L152-Y177 HydrophobicContact CD1-CD1 3.89Å; L152-Y177 HydrophobicContact CD1-CD2 3.9Å; L152-Y177 HydrophobicContact CD1-CE1 4.32Å; L152-Y177 HydrophobicContact CD1-CE2 4.38Å; L152-Y177 HydrophobicContact CD1-CG 3.68Å; L152-T194 WeakPolarHBondContact CA-O 3.41Å; L152-L195 HydrophobicContact CD2-CB 4.11Å; L152-L195 HydrophobicContact CD2-CD1 3.55Å; L152-L195 HydrophobicContact CD2-CG 4.46Å; L152-I300 HydrophobicContact CD2-CD1 3.91Å
153	L	98.4	Very high	96.5	Very high	10 Å²	10	33.5 Å²	33.5	5%	0.052	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	144.6	163.8	-70.6	177.6	0	0	0	108.9	F151 I193 T194 V196 L499 W537 L541	F151-L153 HydrophobicContact CE2-CD2 3.97Å; F151-L153 HydrophobicContact CE2-CG 4.37Å; F151-L153 HydrophobicContact CZ-CD2 3.89Å; F151-L153 HydrophobicContact CZ-CG 4.16Å; L153-I193 WeakPolarHBondContact O-CA 3.45Å; L153-T194 PolarHBondContact N-O 2.93Å; L153-T194 PolarHBondContact O-N 3.43Å; L153-V196 HydrophobicContact CB-CG2 4.17Å; L153-V196 HydrophobicContact CD1-CG2 3.51Å; L153-V196 HydrophobicContact CG-CG2 3.53Å; L153-L499 HydrophobicContact CD1-CD1 3.87Å; L153-L499 HydrophobicContact CD1-CD2 3.52Å; L153-L499 HydrophobicContact CD1-CG 4.38Å; L153-L499 HydrophobicContact CD2-CD2 4.37Å; L153-W537 HydrophobicContact CD2-CZ2 3.85Å; L153-L541 HydrophobicContact CB-CD1 4.04Å; L153-L541 HydrophobicContact CD1-CD1 4.39Å; L153-L541 HydrophobicContact CD2-CD1 4.46Å; L153-L541 HydrophobicContact CD2-CD2 4.18Å
154	A	98.1	Very high	96.6	Very high	2 Å²	2	28.1 Å²	28.1	2%	0.017	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	144	178.1	0	0	0	0	0	111.3	G167 V169 V179 F181 E192 I193	A154-G167 PolarHBondContact O-N 2.95Å; A154-V169 HydrophobicContact CB-CG2 4.08Å; A154-V179 HydrophobicContact CB-CG1 3.34Å; A154-V179 HydrophobicContact CB-CG2 4.48Å; A154-F181 HydrophobicContact CB-CE1 3.95Å; A154-F181 HydrophobicContact CB-CZ 3.86Å; A154-E192 CarbonylContact C-O 3.58Å; A154-E192 VanDerWaalsContact CA-O 3.32Å; A154-E192 WeakPolarHBondContact CA-O 3.38Å; A154-I193 HydrophobicContact CB-CG1 4.17Å
155	R	97.8	Very high	96.6	Very high	30 Å²	30	25.4 Å²	25.4	11%	0.113	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	149.7	170.4	67.9	-180	-174.9	-172.6	-2.3	110.7	V165 E192 L541 H543	R155-V165 VanDerWaalsContact CA-O 3.29Å; R155-V165 WeakPolarHBondContact CA-O 3.48Å; R155-E192 HydrophobicContact CG-CB 3.92Å; R155-E192 IonicContact CZ-OE1 2.64Å; R155-E192 IonicContact CZ-OE2 3.12Å; R155-E192 PolarHBondContact N-O 3.26Å; R155-E192 IonicContact NE-OE1 2.9Å; R155-E192 IonicContact NE-OE2 3.6Å; R155-E192 PolarHBondContact NE-OE2 3.2Å; R155-E192 IonicContact NH2-OE1 2.67Å; R155-E192 IonicContact NH2-OE2 3.62Å; R155-E192 PolarHBondContact NH2-OE2 3.41Å; R155-E192 PolarHBondContact O-N 3Å; R155-L541 VanDerWaalsContact CD-O 3.25Å; R155-L541 WeakPolarHBondContact CD-O 3.37Å; R155-H543 PolarHBondContact NH1-O 3Å
156	L	98.3	Very high	96.8	Very high	1 Å²	1	25.2 Å²	25.2	1%	0.005	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	129.4	163.7	-178.3	77	0	0	0	106.5	L131 G164 V165 F181 L183 W185 A189 Q190 V191	L131-L156 HydrophobicContact CD2-CD1 3.99Å; L156-G164 CarbonylContact O-C 3.59Å; L156-G164 WeakPolarHBondContact O-CA 3.42Å; L156-V165 HydrophobicContact CB-CG1 3.88Å; L156-V165 HydrophobicContact CD2-CG1 4.39Å; L156-V165 PolarHBondContact N-O 3.28Å; L156-V165 PolarHBondContact O-N 3.41Å; L156-F181 HydrophobicContact CB-CB 4.09Å; L156-F181 HydrophobicContact CB-CD1 3.59Å; L156-F181 HydrophobicContact CB-CE1 4.12Å; L156-F181 HydrophobicContact CB-CG 3.91Å; L156-F181 HydrophobicContact CD2-CB 4.11Å; L156-L183 HydrophobicContact CD2-CD2 3.51Å; L156-W185 HydrophobicContact CB-CH2 4.35Å; L156-W185 HydrophobicContact CD2-CH2 3.92Å; L156-W185 HydrophobicContact CD2-CZ2 4.16Å; L156-W185 HydrophobicContact CG-CH2 4Å; L156-W185 HydrophobicContact CG-CZ2 4.13Å; L156-W185 WeakPolarHBondContact O-CH2 3.42Å; L156-A189 HydrophobicContact CD1-CB 3.8Å; L156-A189 HydrophobicContact CD2-CB 4.04Å; L156-A189 HydrophobicContact CG-CB 3.9Å; L156-Q190 CarbonylContact C-O 3.48Å; L156-Q190 WeakPolarHBondContact CA-O 3.47Å; L156-V191 HydrophobicContact CD1-CG2 3.73Å
157	H	97.9	Very high	97	Very high	16 Å²	16	18.4 Å²	18.4	7%	0.074	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	159.5	-174.7	77.1	116.6	0	0	0	113.8	A163 Q190 E192	H157-A163 CarbonylContact C-O 3.58Å; H157-A163 WeakPolarHBondContact CA-O 3.29Å; H157-Q190 PolarHBondContact CD2-O 3.39Å; H157-Q190 VanDerWaalsContact CD2-O 3.3Å; H157-Q190 PolarHBondContact N-O 3.28Å; H157-Q190 PolarHBondContact O-N 3.24Å; H157-E192 IonicContact NE2-OE2 3.03Å
158	S	97.9	Very high	97.2	Very high	0 Å²	0	19 Å²	19	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	92	177.8	-53.9	0	0	0	0	108.2	E160 L161 G162 A163 W185 S188	S158-E160 PolarHBondContact O-N 2.89Å; S158-L161 PolarHBondContact O-N 3.06Å; S158-G162 PolarHBondContact O-N 3.21Å; S158-G162 VanDerWaalsContact O-N 3.17Å; S158-A163 PolarHBondContact N-O 3.32Å; S158-A163 PolarHBondContact O-N 3.43Å; S158-A163 VanDerWaalsContact O-N 3.16Å; S158-W185 WeakPolarHBondContact OG-CZ2 3.25Å; S158-W185 PolarHBondContact OG-NE1 2.86Å; S158-S188 VanDerWaalsContact CB-O 3.24Å; S158-S188 WeakPolarHBondContact CB-O 3.18Å; S158-S188 PolarHBondContact OG-O 2.81Å
159	P	93.6	Very high	97.3	Very high	64 Å²	64	21 Å²	21	42%	0.416	12%	0.118	S	C	.	.	G	3₁₀ helix	trans	-53.2	-39.8	-177.6	-27.4	35.6	0	0	0	112.9	L161 G162	P159-L161 PolarHBondContact O-N 2.85Å; P159-G162 PolarHBondContact O-N 2.73Å
160	E	95.2	Very high	97.4	Very high	134 Å²	134	23.8 Å²	23.8	63%	0.626	13%	0.134	S	C	*	.	G	3₁₀ helix	trans	-69.9	-21.9	-177.2	-55.1	79.2	-167.6	0	0	113.1	S158 R307	S158-E160 PolarHBondContact O-N 2.89Å; E160-R307 IonicContact OE1-NH2 3.36Å; E160-R307 IonicContact OE2-NH2 3.09Å; E160-R307 PolarHBondContact OE2-NH2 3.43Å
161	L	97.1	Very high	97.3	Very high	60 Å²	60	25.6 Å²	25.6	31%	0.314	14%	0.144	S	C	.	.	G	3₁₀ helix	trans	-102	-1.2	179.7	-60.2	177.6	0	0	0	112.6	S158 P159 A163 V186 K340	S158-L161 PolarHBondContact O-N 3.06Å; P159-L161 PolarHBondContact O-N 2.85Å; L161-A163 HydrophobicContact CB-CB 4Å; L161-A163 PolarHBondContact O-N 3.2Å; L161-V186 WeakPolarHBondContact CD1-O 3.3Å; L161-K340 VanDerWaalsContact O-CA 3.26Å; L161-K340 WeakPolarHBondContact O-CA 3.4Å; L161-K340 PolarHBondContact O-N 3.07Å
162	G	97.3	Very high	97.3	Very high	6 Å²	6	29.5 Å²	29.5	6%	0.062	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.2	37.6	-169.1	0	0	0	0	0	111.4	S158 P159 F339 K340 D341	S158-G162 PolarHBondContact O-N 3.21Å; S158-G162 VanDerWaalsContact O-N 3.17Å; P159-G162 PolarHBondContact O-N 2.73Å; G162-F339 CarbonylContact O-C 3.41Å; G162-F339 WeakPolarHBondContact O-CA 3.01Å; G162-K340 PolarHBondContact O-N 2.98Å; G162-K340 VanDerWaalsContact O-N 3.11Å; G162-D341 WeakPolarHBondContact CA-OD1 3.48Å; G162-D341 PolarHBondContact O-N 3Å
163	A	98.1	Very high	97.1	Very high	6 Å²	6	37.1 Å²	37.1	5%	0.05	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	145.7	-173.8	0	0	0	0	0	111.8	H157 S158 L161 W185 Y338 F339	H157-A163 CarbonylContact C-O 3.58Å; H157-A163 WeakPolarHBondContact CA-O 3.29Å; S158-A163 PolarHBondContact N-O 3.32Å; S158-A163 PolarHBondContact O-N 3.43Å; S158-A163 VanDerWaalsContact O-N 3.16Å; L161-A163 HydrophobicContact CB-CB 4Å; L161-A163 PolarHBondContact O-N 3.2Å; A163-W185 HydrophobicContact CB-CD2 3.83Å; A163-W185 HydrophobicContact CB-CE3 4.25Å; A163-W185 HydrophobicContact CB-CG 4.12Å; A163-W185 HydrophobicContact CB-CZ2 4.22Å; A163-Y338 WeakPolarHBondContact CA-O 3.03Å; A163-Y338 WeakPolarHBondContact CB-O 3.38Å; A163-F339 HydrophobicContact CB-CD2 3.96Å
164	G	98.2	Very high	96.9	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-173.3	149.2	178.4	0	0	0	0	0	113.7	L156 Y337 Y338	L156-G164 CarbonylContact O-C 3.59Å; L156-G164 WeakPolarHBondContact O-CA 3.42Å; G164-Y337 CarbonylContact O-C 3.39Å; G164-Y337 WeakPolarHBondContact O-CA 3.28Å; G164-Y337 WeakPolarHBondContact O-CB 3.18Å; G164-Y338 PolarHBondContact N-O 3.27Å; G164-Y338 PolarHBondContact O-N 3.18Å
165	V	98.1	Very high	96.7	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	142.9	176.6	64.7	0	0	0	0	110.1	R155 L156 P182 L184 W185 P334	R155-V165 VanDerWaalsContact CA-O 3.29Å; R155-V165 WeakPolarHBondContact CA-O 3.48Å; L156-V165 HydrophobicContact CB-CG1 3.88Å; L156-V165 HydrophobicContact CD2-CG1 4.39Å; L156-V165 PolarHBondContact N-O 3.28Å; L156-V165 PolarHBondContact O-N 3.41Å; V165-P182 HydrophobicContact CG2-CG 4.19Å; V165-L184 HydrophobicContact CB-CD1 4.32Å; V165-L184 HydrophobicContact CG2-CD1 3.89Å; V165-W185 HydrophobicContact CB-CH2 4.48Å; V165-W185 HydrophobicContact CB-CZ3 4.11Å; V165-W185 HydrophobicContact CG1-CH2 3.91Å; V165-W185 HydrophobicContact CG1-CZ3 3.83Å; V165-P334 HydrophobicContact CG2-CB 4.05Å; V165-P334 HydrophobicContact CG2-CG 3.8Å
166	A	97.7	Very high	96.7	Very high	6 Å²	6	41 Å²	41	5%	0.05	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.8	133.8	172.5	0	0	0	0	0	110.6	E538 L541	A166-E538 HydrophobicContact CB-CB 4.19Å; A166-E538 HydrophobicContact CB-CG 3.96Å; A166-L541 HydrophobicContact CB-CB 4.41Å; A166-L541 HydrophobicContact CB-CD2 3.73Å; A166-L541 HydrophobicContact CB-CG 4.1Å
167	G	96.8	Very high	96.8	Very high	13 Å²	13	41 Å²	41	13%	0.134	21%	0.212	C	C	.	.	P	Polyproline II helix	trans	-86.4	146.1	172.6	0	0	0	0	0	111.9	A154 L180 F181	A154-G167 PolarHBondContact O-N 2.95Å; G167-L180 WeakPolarHBondContact CA-O 3.43Å; G167-F181 VanDerWaalsContact CA-CD1 3.42Å; G167-F181 VanDerWaalsContact CA-CE1 3.42Å
168	T	96.4	Very high	96.8	Very high	34 Å²	34	40.6 Å²	40.6	21%	0.209	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	120.5	170.4	-59.5	0	0	0	0	109.5	V170 V179 L180 P332	T168-V170 HydrophobicContact CG2-CG2 4.38Å; T168-V179 CarbonylContact O-C 3.56Å; T168-V179 VanDerWaalsContact O-CA 3.3Å; T168-V179 WeakPolarHBondContact O-CA 3.2Å; T168-L180 PolarHBondContact N-O 3.03Å; T168-L180 PolarHBondContact O-N 2.97Å; T168-P332 HydrophobicContact CG2-CB 4.28Å; T168-P332 HydrophobicContact CG2-CG 3.41Å; T168-P332 VanDerWaalsContact CG2-CG 3.41Å
169	V	96.8	Very high	96.8	Very high	46 Å²	46	40.6 Å²	40.6	28%	0.279	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	131.3	174.7	-177.1	0	0	0	0	110	L152 A154 Y177 V179	L152-V169 HydrophobicContact CB-CG1 4.16Å; L152-V169 HydrophobicContact CB-CG2 4.28Å; L152-V169 HydrophobicContact CD1-CG1 4.35Å; A154-V169 HydrophobicContact CB-CG2 4.08Å; V169-Y177 HydrophobicContact CG1-CD1 3.97Å; V169-V179 HydrophobicContact CG2-CG1 4.45Å; V169-V179 HydrophobicContact CG2-CG2 4.21Å
170	V	96.6	Very high	96.9	Very high	58 Å²	58	39 Å²	39	35%	0.352	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	116.1	175	-177.7	0	0	0	0	108.6	T168 Y177 S178 L180	T168-V170 HydrophobicContact CG2-CG2 4.38Å; V170-Y177 CarbonylContact O-C 3.59Å; V170-Y177 WeakPolarHBondContact O-CA 3.5Å; V170-S178 PolarHBondContact N-O 3.42Å; V170-S178 PolarHBondContact O-N 2.68Å; V170-L180 HydrophobicContact CG2-CD1 4.46Å
171	D	96.8	Very high	97	Very high	40 Å²	40	32.6 Å²	32.6	21%	0.214	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85	118.3	176.3	-178.1	1.2	0	0	0	110.8	P92 G148 G149 R173 Y177	P92-D171 VanDerWaalsContact CG-OD2 3.3Å; P92-D171 WeakPolarHBondContact CG-OD2 3.37Å; G148-D171 WeakPolarHBondContact CA-OD1 3.24Å; G148-D171 WeakPolarHBondContact CA-OD2 3.47Å; G149-D171 PolarHBondContact N-OD2 2.65Å; D171-R173 PolarHBondContact O-N 3.04Å; D171-R173 VanDerWaalsContact OD1-CA 3.31Å; D171-R173 WeakPolarHBondContact OD1-CA 3.03Å; D171-R173 PolarHBondContact OD1-N 2.87Å; D171-Y177 HydrophobicContact CB-CD1 3.65Å; D171-Y177 HydrophobicContact CB-CE1 3.5Å; D171-Y177 WeakPolarHBondContact OD1-CE1 3.32Å
172	H	96.6	Very high	96.9	Very high	85 Å²	85	31 Å²	31	39%	0.394	16%	0.163	S	C	.	.			trans	-83.3	6.3	177.3	-57.9	-63.6	0	0	0	113.3	N174 I176 S178	H172-N174 PolarHBondContact O-N 3.39Å; H172-N174 VanDerWaalsContact O-N 3.15Å; H172-I176 VanDerWaalsContact CB-O 3.32Å; H172-I176 WeakPolarHBondContact CB-O 3.32Å; H172-I176 PolarHBondContact CD2-O 2.89Å; H172-I176 VanDerWaalsContact CD2-O 3.32Å; H172-I176 PolarHBondContact N-O 2.68Å; H172-S178 WeakPolarHBondContact NE2-CB 3.45Å; H172-S178 PolarHBondContact NE2-N 2.94Å; H172-S178 PolarHBondContact NE2-OG 3.46Å
173	R	94.6	Very high	96.7	Very high	168 Å²	168	30.8 Å²	30.8	63%	0.634	16%	0.16	S	C	*	.	S	Bend	trans	61.5	19.1	175.5	-55.4	-177.1	176.8	-164.8	-3.7	114.7	Y147 D171	Y147-R173 WeakPolarHBondContact CA-O 3.31Å; D171-R173 PolarHBondContact O-N 3.04Å; D171-R173 VanDerWaalsContact OD1-CA 3.31Å; D171-R173 WeakPolarHBondContact OD1-CA 3.03Å; D171-R173 PolarHBondContact OD1-N 2.87Å
174	N	94.4	Very high	96.6	Very high	69 Å²	69	32.1 Å²	32.1	37%	0.369	17%	0.167	S	C	.	.	S	Bend	trans	-131.2	14.3	-176.6	65.6	-0.6	0	0	0	112.7	K145 H146 H172 I176	K145-N174 CarbonylContact C-O 3.59Å; H146-N174 CarbonylContact C-O 3.57Å; H146-N174 WeakPolarHBondContact CA-O 3.44Å; H172-N174 PolarHBondContact O-N 3.39Å; H172-N174 VanDerWaalsContact O-N 3.15Å; N174-I176 VanDerWaalsContact C-N 3.35Å; N174-I176 VanDerWaalsContact OD1-CB 3.28Å; N174-I176 WeakPolarHBondContact OD1-CB 3.4Å; N174-I176 PolarHBondContact OD1-N 2.84Å
175	G	95.3	Very high	96.5	Very high	1 Å²	1	32.4 Å²	32.4	1%	0.01	17%	0.167	C	C	.	.	S	Bend	trans	88.9	-0.2	-175.3	0	0	0	0	0	114.1	M137 Y147	M137-G175 WeakPolarHBondContact CB-O 3.35Å; M137-G175 PolarHBondContact N-O 2.82Å; Y147-G175 WeakPolarHBondContact O-CA 3.49Å; Y147-G175 PolarHBondContact O-N 3.08Å
176	I	97.9	Very high	96.4	Very high	53 Å²	53	35.6 Å²	35.6	27%	0.272	19%	0.187	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	140.2	175.7	-53.8	176.3	0	0	0	108.9	L134 V135 H172 N174	L134-I176 HydrophobicContact CD1-CG2 3.41Å; L134-I176 VanDerWaalsContact CD1-CG2 3.41Å; L134-I176 HydrophobicContact CD2-CG2 4.13Å; L134-I176 HydrophobicContact CG-CG2 3.73Å; V135-I176 CarbonylContact O-C 3.41Å; V135-I176 VanDerWaalsContact O-CA 3.31Å; V135-I176 WeakPolarHBondContact O-CA 3.47Å; H172-I176 VanDerWaalsContact CB-O 3.32Å; H172-I176 WeakPolarHBondContact CB-O 3.32Å; H172-I176 PolarHBondContact CD2-O 2.89Å; H172-I176 VanDerWaalsContact CD2-O 3.32Å; H172-I176 PolarHBondContact N-O 2.68Å; N174-I176 VanDerWaalsContact C-N 3.35Å; N174-I176 VanDerWaalsContact OD1-CB 3.28Å; N174-I176 WeakPolarHBondContact OD1-CB 3.4Å; N174-I176 PolarHBondContact OD1-N 2.84Å
177	Y	98.4	Very high	96.4	Very high	1 Å²	1	36.1 Å²	36.1	0%	0.004	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	138.8	177.3	-54.8	-108.4	0	0	0	109.7	L134 V135 M137 G148 G149 D150 L152 V169 V170 D171	L134-Y177 WeakPolarHBondContact CA-O 3.46Å; V135-Y177 PolarHBondContact N-O 3.48Å; V135-Y177 PolarHBondContact O-N 2.71Å; M137-Y177 HydrophobicContact CB-CE2 4.39Å; M137-Y177 HydrophobicContact CG-CD2 3.78Å; M137-Y177 HydrophobicContact CG-CE2 3.34Å; G148-Y177 VanDerWaalsContact CA-OH 3.26Å; G148-Y177 WeakPolarHBondContact CA-OH 3.32Å; G149-Y177 PolarHBondContact N-OH 2.8Å; G149-Y177 VanDerWaalsContact N-OH 3.16Å; D150-Y177 HydrophobicContact CB-CE2 4.45Å; D150-Y177 WeakPolarHBondContact CB-OH 3.47Å; D150-Y177 VanDerWaalsContact CG-OH 3.29Å; D150-Y177 PolarHBondContact N-OH 3.43Å; D150-Y177 PolarHBondContact OD2-OH 3Å; L152-Y177 HydrophobicContact CD1-CD1 3.89Å; L152-Y177 HydrophobicContact CD1-CD2 3.9Å; L152-Y177 HydrophobicContact CD1-CE1 4.32Å; L152-Y177 HydrophobicContact CD1-CE2 4.38Å; L152-Y177 HydrophobicContact CD1-CG 3.68Å; V169-Y177 HydrophobicContact CG1-CD1 3.97Å; V170-Y177 CarbonylContact O-C 3.59Å; V170-Y177 WeakPolarHBondContact O-CA 3.5Å; D171-Y177 HydrophobicContact CB-CD1 3.65Å; D171-Y177 HydrophobicContact CB-CE1 3.5Å; D171-Y177 WeakPolarHBondContact OD1-CE1 3.32Å
178	S	98	Very high	96.3	Very high	9 Å²	9	37.4 Å²	37.4	6%	0.063	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	138.7	164.7	-75.2	0	0	0	0	109.1	E132 A133 V170 H172	E132-S178 WeakPolarHBondContact OE1-CB 3.3Å; E132-S178 PolarHBondContact OE1-OG 2.92Å; A133-S178 CarbonylContact O-C 3.6Å; V170-S178 PolarHBondContact N-O 3.42Å; V170-S178 PolarHBondContact O-N 2.68Å; H172-S178 WeakPolarHBondContact NE2-CB 3.45Å; H172-S178 PolarHBondContact NE2-N 2.94Å; H172-S178 PolarHBondContact NE2-OG 3.46Å
179	V	97.9	Very high	96.4	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	123.4	173.7	-172.4	0	0	0	0	108.9	E132 A133 V135 A154 T168 V169 F181 I193	E132-V179 CarbonylContact C-O 3.59Å; E132-V179 WeakPolarHBondContact CA-O 3.43Å; A133-V179 HydrophobicContact CB-CB 4.43Å; A133-V179 PolarHBondContact N-O 3.32Å; A133-V179 PolarHBondContact O-N 3.46Å; V135-V179 HydrophobicContact CG2-CG2 3.81Å; A154-V179 HydrophobicContact CB-CG1 3.34Å; A154-V179 HydrophobicContact CB-CG2 4.48Å; T168-V179 CarbonylContact O-C 3.56Å; T168-V179 VanDerWaalsContact O-CA 3.3Å; T168-V179 WeakPolarHBondContact O-CA 3.2Å; V169-V179 HydrophobicContact CG2-CG1 4.45Å; V169-V179 HydrophobicContact CG2-CG2 4.21Å; V179-F181 HydrophobicContact CB-CE2 4.1Å; V179-F181 HydrophobicContact CB-CZ 4.27Å; V179-F181 HydrophobicContact CG1-CD2 4.29Å; V179-F181 HydrophobicContact CG1-CE1 3.87Å; V179-F181 HydrophobicContact CG1-CE2 3.49Å; V179-F181 VanDerWaalsContact CG1-CE2 3.49Å; V179-F181 HydrophobicContact CG1-CZ 3.27Å; V179-I193 HydrophobicContact CB-CD1 4.41Å; V179-I193 HydrophobicContact CG2-CD1 3.97Å
180	L	96.9	Very high	96.4	Very high	29 Å²	29	35.8 Å²	35.8	15%	0.152	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	128.3	-174.3	-55.2	172.8	0	0	0	110	Q130 L131 E132 G167 T168 V170	Q130-L180 HydrophobicContact CG-CB 4.46Å; L131-L180 WeakPolarHBondContact O-CA 3.27Å; E132-L180 HydrophobicContact CB-CD2 4.1Å; E132-L180 HydrophobicContact CG-CD2 3.87Å; G167-L180 WeakPolarHBondContact CA-O 3.43Å; T168-L180 PolarHBondContact N-O 3.03Å; T168-L180 PolarHBondContact O-N 2.97Å; V170-L180 HydrophobicContact CG2-CD1 4.46Å
181	F	96.1	Very high	96.5	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	124	176.3	-51.4	-84.5	0	0	0	110.8	Q130 L131 A133 A154 L156 G167 V179 V191	Q130-F181 CarbonylContact C-O 3.54Å; Q130-F181 WeakPolarHBondContact CA-O 3.47Å; L131-F181 HydrophobicContact CB-CB 4.26Å; L131-F181 HydrophobicContact CD2-CD2 4.12Å; L131-F181 HydrophobicContact CG-CD2 4.46Å; L131-F181 PolarHBondContact N-O 2.93Å; L131-F181 PolarHBondContact O-N 3.5Å; A133-F181 HydrophobicContact CB-CE2 4.26Å; A154-F181 HydrophobicContact CB-CE1 3.95Å; A154-F181 HydrophobicContact CB-CZ 3.86Å; L156-F181 HydrophobicContact CB-CB 4.09Å; L156-F181 HydrophobicContact CB-CD1 3.59Å; L156-F181 HydrophobicContact CB-CE1 4.12Å; L156-F181 HydrophobicContact CB-CG 3.91Å; L156-F181 HydrophobicContact CD2-CB 4.11Å; G167-F181 VanDerWaalsContact CA-CD1 3.42Å; G167-F181 VanDerWaalsContact CA-CE1 3.42Å; V179-F181 HydrophobicContact CB-CE2 4.1Å; V179-F181 HydrophobicContact CB-CZ 4.27Å; V179-F181 HydrophobicContact CG1-CD2 4.29Å; V179-F181 HydrophobicContact CG1-CE1 3.87Å; V179-F181 HydrophobicContact CG1-CE2 3.49Å; V179-F181 VanDerWaalsContact CG1-CE2 3.49Å; V179-F181 HydrophobicContact CG1-CZ 3.27Å; F181-V191 HydrophobicContact CD2-CG2 4.43Å; F181-V191 HydrophobicContact CE2-CG1 3.79Å; F181-V191 HydrophobicContact CE2-CG2 4.03Å; F181-V191 HydrophobicContact CZ-CG1 3.84Å
182	P	94.9	Very high	96.6	Very high	27 Å²	27	32.7 Å²	32.7	18%	0.175	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	138.5	167	29.8	-31.4	0	0	0	110.4	V165 L184 P334	V165-P182 HydrophobicContact CG2-CG 4.19Å; P182-L184 HydrophobicContact CB-CD1 4.33Å; P182-L184 HydrophobicContact CB-CD2 4.28Å; P182-L184 HydrophobicContact CB-CG 4.13Å; P182-L184 HydrophobicContact CG-CD1 3.95Å; P182-L184 HydrophobicContact CG-CG 4.28Å; P182-P334 HydrophobicContact CG-CG 3.63Å
183	L	94.9	Very high	96.7	Very high	2 Å²	2	28.7 Å²	28.7	1%	0.01	15%	0.149	C	C	.	.			trans	-90.4	109.9	176.8	-59.2	-168.4	0	0	0	110.6	W125 G128 D129 L131 L156 I308 V310	W125-L183 HydrophobicContact CB-CD1 3.7Å; W125-L183 HydrophobicContact CD2-CD1 4.13Å; W125-L183 HydrophobicContact CE3-CD1 3.7Å; W125-L183 HydrophobicContact CG-CD1 4.17Å; G128-L183 PolarHBondContact N-O 2.93Å; D129-L183 HydrophobicContact CB-CD1 4.07Å; D129-L183 HydrophobicContact CB-CG 4.48Å; D129-L183 PolarHBondContact O-N 3.49Å; L131-L183 HydrophobicContact CB-CD2 3.95Å; L131-L183 HydrophobicContact CB-CG 4.41Å; L156-L183 HydrophobicContact CD2-CD2 3.51Å; L183-I308 HydrophobicContact CD1-CD1 3.94Å; L183-I308 HydrophobicContact CD2-CD1 3.9Å; L183-V310 HydrophobicContact CB-CG1 4.07Å; L183-V310 HydrophobicContact CD1-CG1 4.17Å; L183-V310 HydrophobicContact CD1-CG2 4.03Å; L183-V310 HydrophobicContact CD2-CG2 4.24Å
184	L	94.9	Very high	96.9	Very high	34 Å²	34	21.6 Å²	21.6	18%	0.178	12%	0.124	C	C	.	.			trans	-119	0.8	-164.8	-62.5	170.5	0	0	0	114.6	V165 P182 Y337 L346	V165-L184 HydrophobicContact CB-CD1 4.32Å; V165-L184 HydrophobicContact CG2-CD1 3.89Å; P182-L184 HydrophobicContact CB-CD1 4.33Å; P182-L184 HydrophobicContact CB-CD2 4.28Å; P182-L184 HydrophobicContact CB-CG 4.13Å; P182-L184 HydrophobicContact CG-CD1 3.95Å; P182-L184 HydrophobicContact CG-CG 4.28Å; L184-Y337 HydrophobicContact CB-CD1 4.2Å; L184-Y337 HydrophobicContact CB-CD2 3.76Å; L184-Y337 HydrophobicContact CB-CE1 4.23Å; L184-Y337 HydrophobicContact CB-CE2 3.76Å; L184-Y337 HydrophobicContact CB-CG 3.98Å; L184-Y337 HydrophobicContact CD1-CD1 3.65Å; L184-Y337 HydrophobicContact CD1-CD2 4.25Å; L184-Y337 HydrophobicContact CD1-CE1 4.33Å; L184-Y337 HydrophobicContact CD1-CG 3.6Å; L184-Y337 HydrophobicContact CG-CD1 4.41Å; L184-Y337 HydrophobicContact CG-CG 4.41Å; L184-Y337 WeakPolarHBondContact O-CE2 3.43Å; L184-Y337 PolarHBondContact O-OH 2.69Å; L184-L346 HydrophobicContact CD1-CD1 4.09Å; L184-L346 HydrophobicContact CD2-CD1 4.46Å; L184-L346 HydrophobicContact CD2-CD2 4.29Å
185	W	96.3	Very high	97.1	Very high	5 Å²	5	18.3 Å²	18.3	2%	0.019	11%	0.106	C	C	.	.	S	Bend	trans	-150.5	156.8	177.4	63.4	91.3	0	0	0	111.8	L156 S158 A163 V165 A189 V310 Y337 F339	L156-W185 HydrophobicContact CB-CH2 4.35Å; L156-W185 HydrophobicContact CD2-CH2 3.92Å; L156-W185 HydrophobicContact CD2-CZ2 4.16Å; L156-W185 HydrophobicContact CG-CH2 4Å; L156-W185 HydrophobicContact CG-CZ2 4.13Å; L156-W185 WeakPolarHBondContact O-CH2 3.42Å; S158-W185 WeakPolarHBondContact OG-CZ2 3.25Å; S158-W185 PolarHBondContact OG-NE1 2.86Å; A163-W185 HydrophobicContact CB-CD2 3.83Å; A163-W185 HydrophobicContact CB-CE3 4.25Å; A163-W185 HydrophobicContact CB-CG 4.12Å; A163-W185 HydrophobicContact CB-CZ2 4.22Å; V165-W185 HydrophobicContact CB-CH2 4.48Å; V165-W185 HydrophobicContact CB-CZ3 4.11Å; V165-W185 HydrophobicContact CG1-CH2 3.91Å; V165-W185 HydrophobicContact CG1-CZ3 3.83Å; W185-A189 HydrophobicContact CZ2-CB 3.92Å; W185-V310 VanDerWaalsContact O-CB 3.25Å; W185-V310 WeakPolarHBondContact O-CB 3.36Å; W185-V310 WeakPolarHBondContact O-CG1 3.45Å; W185-Y337 HydrophobicContact CE3-CD2 4.01Å; W185-Y337 HydrophobicContact CE3-CE2 4.44Å; W185-Y337 HydrophobicContact CZ3-CD2 4.41Å; W185-F339 HydrophobicContact CB-CD2 3.55Å; W185-F339 HydrophobicContact CB-CE2 3.65Å; W185-F339 HydrophobicContact CG-CD2 4.13Å; W185-F339 HydrophobicContact CG-CE2 4.34Å
186	V	96.9	Very high	97.2	Very high	68 Å²	68	18.2 Å²	18.2	41%	0.412	11%	0.106	S	C	.	.	S	Bend	trans	-82.5	140.4	173.5	-179.5	0	0	0	0	109.5	I127 L161 V310 P312	I127-V186 HydrophobicContact CD1-CG2 3.46Å; I127-V186 VanDerWaalsContact CD1-CG2 3.46Å; I127-V186 HydrophobicContact CG1-CG2 4.16Å; L161-V186 WeakPolarHBondContact CD1-O 3.3Å; V186-V310 WeakPolarHBondContact CA-O 3.43Å; V186-V310 WeakPolarHBondContact CG1-O 3.43Å; V186-P312 HydrophobicContact CG1-CG 4.34Å; V186-P312 HydrophobicContact CG2-CB 4.46Å; V186-P312 HydrophobicContact CG2-CG 4.12Å
187	G	96.2	Very high	97.2	Very high	16 Å²	16	15.7 Å²	15.7	17%	0.165	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	121.1	-169.6	173.1	0	0	0	0	0	113.8	A189 N309 V310	G187-A189 PolarHBondContact O-N 3.4Å; G187-N309 PolarHBondContact O-OD1 2.88Å; G187-V310 PolarHBondContact N-O 2.81Å; G187-V310 PolarHBondContact O-N 2.85Å
188	S	96.1	Very high	97.1	Very high	41 Å²	41	15.9 Å²	15.9	29%	0.287	9%	0.094	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	132	179.9	-175.7	0	0	0	0	110.5	S158 R307 I308 N309	S158-S188 VanDerWaalsContact CB-O 3.24Å; S158-S188 WeakPolarHBondContact CB-O 3.18Å; S158-S188 PolarHBondContact OG-O 2.81Å; S188-R307 PolarHBondContact OG-NE 2.89Å; S188-R307 VanDerWaalsContact OG-NE 3.08Å; S188-R307 PolarHBondContact OG-NH2 3.43Å; S188-I308 CarbonylContact C-O 3.56Å; S188-I308 WeakPolarHBondContact CA-O 3.32Å; S188-N309 PolarHBondContact N-OD1 3Å
189	A	97.3	Very high	97	Very high	0 Å²	0	15.4 Å²	15.4	0%	0	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	134	175	0	0	0	0	0	110.2	L156 W185 G187 R307 I308 V310	L156-A189 HydrophobicContact CD1-CB 3.8Å; L156-A189 HydrophobicContact CD2-CB 4.04Å; L156-A189 HydrophobicContact CG-CB 3.9Å; W185-A189 HydrophobicContact CZ2-CB 3.92Å; G187-A189 PolarHBondContact O-N 3.4Å; A189-R307 VanDerWaalsContact O-CA 3.32Å; A189-R307 WeakPolarHBondContact O-CA 3.15Å; A189-I308 HydrophobicContact CB-CG1 4.18Å; A189-I308 PolarHBondContact N-O 3.29Å; A189-I308 PolarHBondContact O-N 3.2Å; A189-V310 HydrophobicContact CB-CG2 4.25Å
190	Q	97.9	Very high	96.9	Very high	45 Å²	45	15.8 Å²	15.8	21%	0.21	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	132.1	-177.2	-171.8	168	-1.4	0	0	110.5	L156 H157 D306 R307	L156-Q190 CarbonylContact C-O 3.48Å; L156-Q190 WeakPolarHBondContact CA-O 3.47Å; H157-Q190 PolarHBondContact CD2-O 3.39Å; H157-Q190 VanDerWaalsContact CD2-O 3.3Å; H157-Q190 PolarHBondContact N-O 3.28Å; H157-Q190 PolarHBondContact O-N 3.24Å; Q190-D306 WeakPolarHBondContact CA-O 3.44Å; Q190-D306 PolarHBondContact NE2-OD2 3.45Å; Q190-R307 HydrophobicContact CB-CG 3.76Å; Q190-R307 HydrophobicContact CG-CG 3.71Å
191	V	98.3	Very high	96.8	Very high	3 Å²	3	14.4 Å²	14.4	2%	0.018	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	129.7	173.4	174.6	0	0	0	0	109.1	F114 I116 L131 A133 L156 F181 I193 D306	F114-V191 HydrophobicContact CD2-CG1 4.13Å; F114-V191 HydrophobicContact CE2-CB 3.86Å; F114-V191 HydrophobicContact CE2-CG1 3.54Å; F114-V191 HydrophobicContact CZ-CB 4.14Å; F114-V191 HydrophobicContact CZ-CG1 3.88Å; I116-V191 HydrophobicContact CD1-CB 4.35Å; I116-V191 HydrophobicContact CD1-CG2 3.75Å; I116-V191 HydrophobicContact CG1-CG2 4.18Å; L131-V191 HydrophobicContact CD2-CG2 3.64Å; A133-V191 HydrophobicContact CB-CG1 4.45Å; L156-V191 HydrophobicContact CD1-CG2 3.73Å; F181-V191 HydrophobicContact CD2-CG2 4.43Å; F181-V191 HydrophobicContact CE2-CG1 3.79Å; F181-V191 HydrophobicContact CE2-CG2 4.03Å; F181-V191 HydrophobicContact CZ-CG1 3.84Å; V191-I193 HydrophobicContact CG1-CD1 4.02Å; V191-I193 HydrophobicContact CG1-CG1 3.89Å; V191-D306 PolarHBondContact N-O 2.99Å
192	E	98.3	Very high	96.9	Very high	31 Å²	31	14.6 Å²	14.6	15%	0.145	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	126.2	171.8	-177.1	-177.8	153.6	0	0	109.4	A154 R155 H157 Q299	A154-E192 CarbonylContact C-O 3.58Å; A154-E192 VanDerWaalsContact CA-O 3.32Å; A154-E192 WeakPolarHBondContact CA-O 3.38Å; R155-E192 HydrophobicContact CG-CB 3.92Å; R155-E192 IonicContact CZ-OE1 2.64Å; R155-E192 IonicContact CZ-OE2 3.12Å; R155-E192 PolarHBondContact N-O 3.26Å; R155-E192 IonicContact NE-OE1 2.9Å; R155-E192 IonicContact NE-OE2 3.6Å; R155-E192 PolarHBondContact NE-OE2 3.2Å; R155-E192 IonicContact NH2-OE1 2.67Å; R155-E192 IonicContact NH2-OE2 3.62Å; R155-E192 PolarHBondContact NH2-OE2 3.41Å; R155-E192 PolarHBondContact O-N 3Å; H157-E192 IonicContact NE2-OE2 3.03Å; E192-Q299 HydrophobicContact CG-CG 4.45Å; E192-Q299 PolarHBondContact OE1-NE2 2.72Å
193	I	98.6	Very high	96.9	Very high	1 Å²	1	15 Å²	15	1%	0.005	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	129.7	179.1	-57.3	178.2	0	0	0	107.9	F114 A133 V135 L153 A154 V179 V191 Q299 I300	F114-I193 HydrophobicContact CB-CD1 3.76Å; F114-I193 HydrophobicContact CD1-CB 4.35Å; F114-I193 HydrophobicContact CD1-CD1 4.06Å; F114-I193 HydrophobicContact CD1-CG1 4.39Å; F114-I193 HydrophobicContact CD2-CD1 4.03Å; F114-I193 HydrophobicContact CG-CD1 3.7Å; F114-I193 HydrophobicContact CG-CG1 4.47Å; A133-I193 HydrophobicContact CB-CD1 4.38Å; V135-I193 HydrophobicContact CG2-CD1 3.48Å; V135-I193 VanDerWaalsContact CG2-CD1 3.48Å; V135-I193 HydrophobicContact CG2-CG2 4.11Å; L153-I193 WeakPolarHBondContact O-CA 3.45Å; A154-I193 HydrophobicContact CB-CG1 4.17Å; V179-I193 HydrophobicContact CB-CD1 4.41Å; V179-I193 HydrophobicContact CG2-CD1 3.97Å; V191-I193 HydrophobicContact CG1-CD1 4.02Å; V191-I193 HydrophobicContact CG1-CG1 3.89Å; I193-Q299 WeakPolarHBondContact O-CA 3.39Å; I193-I300 HydrophobicContact CG2-CD1 4.19Å; I193-I300 PolarHBondContact O-N 3.47Å
194	T	98.5	Very high	96.9	Very high	18 Å²	18	15.5 Å²	15.5	11%	0.11	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	125	-175.2	-63.3	0	0	0	0	109.8	L152 L153 V196 K297 V298	L152-T194 WeakPolarHBondContact CA-O 3.41Å; L153-T194 PolarHBondContact N-O 2.93Å; L153-T194 PolarHBondContact O-N 3.43Å; T194-V196 PolarHBondContact O-N 3.45Å; T194-K297 HydrophobicContact CG2-CB 4.26Å; T194-V298 CarbonylContact C-O 3.6Å; T194-V298 WeakPolarHBondContact CA-O 3.36Å
195	L	98.6	Very high	97	Very high	0 Å²	0	13.9 Å²	13.9	0%	0	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	111.5	163.6	179.7	66.3	0	0	0	108.7	P109 M137 D150 L152 H197 K297 V298 I300	P109-L195 HydrophobicContact CB-CB 4.12Å; P109-L195 HydrophobicContact CB-CD2 3.87Å; P109-L195 HydrophobicContact CG-CD2 3.97Å; M137-L195 HydrophobicContact CE-CD1 3.99Å; M137-L195 HydrophobicContact CE-CD2 4.2Å; D150-L195 HydrophobicContact CB-CD1 3.89Å; L152-L195 HydrophobicContact CD2-CB 4.11Å; L152-L195 HydrophobicContact CD2-CD1 3.55Å; L152-L195 HydrophobicContact CD2-CG 4.46Å; L195-H197 WeakPolarHBondContact CD1-O 3.15Å; L195-K297 CarbonylContact O-C 3.56Å; L195-K297 WeakPolarHBondContact O-CA 2.99Å; L195-K297 PolarHBondContact O-N 3.34Å; L195-K297 VanDerWaalsContact O-N 3.12Å; L195-V298 PolarHBondContact N-O 3.29Å; L195-V298 PolarHBondContact O-N 3.44Å; L195-I300 HydrophobicContact CB-CD1 4.24Å; L195-I300 HydrophobicContact CB-CG1 4.32Å
196	V	98.4	Very high	96.9	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	-50.2	175.1	-176.1	0	0	0	0	110.2	F151 L153 T194 K297 L502 D512	F151-V196 HydrophobicContact CD1-CB 3.48Å; F151-V196 VanDerWaalsContact CD1-CB 3.48Å; F151-V196 HydrophobicContact CD1-CG1 3.62Å; F151-V196 HydrophobicContact CD1-CG2 4.04Å; F151-V196 HydrophobicContact CE1-CB 3.81Å; F151-V196 HydrophobicContact CE1-CG1 3.7Å; F151-V196 HydrophobicContact CE1-CG2 3.95Å; F151-V196 HydrophobicContact CG-CB 4.14Å; F151-V196 HydrophobicContact CZ-CG2 4.41Å; F151-V196 WeakPolarHBondContact O-CB 3.47Å; F151-V196 PolarHBondContact O-N 2.78Å; L153-V196 HydrophobicContact CB-CG2 4.17Å; L153-V196 HydrophobicContact CD1-CG2 3.51Å; L153-V196 HydrophobicContact CG-CG2 3.53Å; T194-V196 PolarHBondContact O-N 3.45Å; V196-K297 HydrophobicContact CG1-CG 4.03Å; V196-K297 HydrophobicContact CG2-CG 4.47Å; V196-K297 PolarHBondContact O-N 3.42Å; V196-L502 HydrophobicContact CG1-CD1 3.65Å; V196-D512 HydrophobicContact CG1-CB 4.46Å
197	H	97.9	Very high	96.7	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	140.1	177.9	-68.3	-46.5	0	0	0	109.9	F151 L195 A201 V202 S507 S511	F151-H197 HydrophobicContact CB-CB 4.37Å; F151-H197 PolarHBondContact N-O 2.8Å; F151-H197 PolarHBondContact O-N 2.98Å; L195-H197 WeakPolarHBondContact CD1-O 3.15Å; H197-A201 HydrophobicContact CB-CB 4.02Å; H197-V202 HydrophobicContact CB-CG2 3.86Å; H197-S507 PolarHBondContact CE1-OG 3.43Å; H197-S511 PolarHBondContact CD2-OG 3.49Å; H197-S511 PolarHBondContact NE2-OG 3.27Å
198	S	97	Very high	96.5	Very high	4 Å²	4	18.2 Å²	18.2	3%	0.028	10%	0.098	C	C	.	.			trans	-65.6	160.1	169.2	84.4	0	0	0	0	111.3	D150 E200 A201 V202	D150-S198 WeakPolarHBondContact OD1-CA 3.44Å; S198-E200 VanDerWaalsContact CB-OE2 3.25Å; S198-E200 WeakPolarHBondContact CB-OE2 3.34Å; S198-E200 PolarHBondContact O-N 2.85Å; S198-E200 PolarHBondContact OG-N 3.24Å; S198-E200 PolarHBondContact OG-OE2 2.74Å; S198-A201 WeakPolarHBondContact O-CB 3.22Å; S198-A201 PolarHBondContact O-N 3.41Å; S198-A201 PolarHBondContact OG-N 2.85Å; S198-V202 WeakPolarHBondContact O-CG2 3.45Å; S198-V202 PolarHBondContact O-N 3.48Å
199	S	95.8	Very high	96.4	Very high	0 Å²	0	17 Å²	17	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-53.6	-34.4	172.9	50.1	0	0	0	0	113.3	Y147 G148 G149 D150 A203	Y147-S199 VanDerWaalsContact CE2-OG 3.32Å; Y147-S199 WeakPolarHBondContact CE2-OG 3.18Å; G148-S199 VanDerWaalsContact O-CB 3.22Å; G148-S199 WeakPolarHBondContact O-CB 3.07Å; G149-S199 VanDerWaalsContact C-CB 3.41Å; G149-S199 VanDerWaalsContact O-CA 3.27Å; G149-S199 WeakPolarHBondContact O-CA 3.35Å; D150-S199 PolarHBondContact OD1-N 2.89Å; D150-S199 PolarHBondContact OD1-OG 2.88Å; S199-A203 PolarHBondContact O-N 2.72Å
200	E	94.7	Very high	96	Very high	7 Å²	7	19.8 Å²	19.8	3%	0.033	10%	0.1	C	C	.	.	H	α-helix	trans	-72	-41	175.5	-56.1	81.6	-171.3	0	0	112.4	P94 P101 T106 S107 K145 Y147 S198 V202 A203 V204 L289	P94-E200 HydrophobicContact CB-CG 4.5Å; P94-E200 HydrophobicContact CG-CG 4.41Å; P101-E200 HydrophobicContact CG-CB 4.45Å; P101-E200 HydrophobicContact CG-CG 3.67Å; T106-E200 WeakPolarHBondContact CB-OE2 3.39Å; T106-E200 HydrophobicContact CG2-CB 4.27Å; T106-E200 HydrophobicContact CG2-CG 3.92Å; S107-E200 PolarHBondContact N-OE2 2.89Å; K145-E200 IonicContact NZ-OE1 3.76Å; K145-E200 PolarHBondContact NZ-OE1 2.92Å; Y147-E200 VanDerWaalsContact CE2-OE1 3.32Å; Y147-E200 WeakPolarHBondContact CE2-OE1 3.48Å; Y147-E200 VanDerWaalsContact CZ-OE1 3.3Å; Y147-E200 PolarHBondContact OH-OE1 2.89Å; S198-E200 VanDerWaalsContact CB-OE2 3.25Å; S198-E200 WeakPolarHBondContact CB-OE2 3.34Å; S198-E200 PolarHBondContact O-N 2.85Å; S198-E200 PolarHBondContact OG-N 3.24Å; S198-E200 PolarHBondContact OG-OE2 2.74Å; E200-V202 VanDerWaalsContact C-N 3.32Å; E200-A203 WeakPolarHBondContact O-CB 3.44Å; E200-A203 PolarHBondContact O-N 3.42Å; E200-V204 PolarHBondContact O-N 3.31Å; E200-V204 VanDerWaalsContact O-N 3.15Å; E200-L289 HydrophobicContact CB-CD1 4.14Å; E200-L289 HydrophobicContact CB-CD2 4.06Å
201	A	95.9	Very high	95.5	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-61.8	-42.9	173.5	0	0	0	0	0	110.7	H197 S198 A203 V204 L205 L289 F290	H197-A201 HydrophobicContact CB-CB 4.02Å; S198-A201 WeakPolarHBondContact O-CB 3.22Å; S198-A201 PolarHBondContact O-N 3.41Å; S198-A201 PolarHBondContact OG-N 2.85Å; A201-A203 VanDerWaalsContact C-N 3.32Å; A201-A203 PolarHBondContact O-N 3.14Å; A201-V204 WeakPolarHBondContact O-CB 3.22Å; A201-V204 PolarHBondContact O-N 3.14Å; A201-L205 WeakPolarHBondContact O-CG 3.45Å; A201-L205 PolarHBondContact O-N 3.06Å; A201-L289 HydrophobicContact CB-CB 4Å; A201-F290 HydrophobicContact CB-CE1 4.07Å; A201-F290 HydrophobicContact CB-CZ 3.95Å
202	V	97.1	Very high	95.1	Very high	4 Å²	4	25 Å²	25	2%	0.024	12%	0.12	C	C	.	.	H	α-helix	trans	-61	-40.2	175.3	172.7	0	0	0	0	111.6	W91 F151 H197 S198 E200 V204 L205 K206 W513	W91-V202 VanDerWaalsContact CD1-CG1 3.44Å; W91-V202 HydrophobicContact CG-CG1 4.22Å; F151-V202 HydrophobicContact CB-CG2 4Å; H197-V202 HydrophobicContact CB-CG2 3.86Å; S198-V202 WeakPolarHBondContact O-CG2 3.45Å; S198-V202 PolarHBondContact O-N 3.48Å; E200-V202 VanDerWaalsContact C-N 3.32Å; V202-V204 VanDerWaalsContact C-N 3.32Å; V202-V204 PolarHBondContact O-N 3.45Å; V202-L205 PolarHBondContact O-N 3.21Å; V202-K206 WeakPolarHBondContact O-CB 3.31Å; V202-K206 PolarHBondContact O-N 3.35Å; V202-W513 HydrophobicContact CG1-CD2 3.87Å; V202-W513 HydrophobicContact CG1-CE3 4.49Å; V202-W513 HydrophobicContact CG1-CG 4.28Å; V202-W513 HydrophobicContact CG1-CH2 4.26Å; V202-W513 HydrophobicContact CG1-CZ2 3.61Å; V202-W513 HydrophobicContact CG2-CG 4.25Å
203	A	94.4	Very high	94.6	Very high	37 Å²	37	23.6 Å²	23.6	31%	0.306	11%	0.114	S	C	.	.	H	α-helix	trans	-60.3	-40.9	175.5	0	0	0	0	0	112.3	P94 S199 E200 A201 K206 H207	P94-A203 HydrophobicContact CG-CB 4.03Å; S199-A203 PolarHBondContact O-N 2.72Å; E200-A203 WeakPolarHBondContact O-CB 3.44Å; E200-A203 PolarHBondContact O-N 3.42Å; A201-A203 VanDerWaalsContact C-N 3.32Å; A201-A203 PolarHBondContact O-N 3.14Å; A203-K206 PolarHBondContact O-N 3.24Å; A203-H207 WeakPolarHBondContact O-CB 3.4Å; A203-H207 PolarHBondContact O-N 3.03Å
204	V	95.1	Very high	94.1	Very high	12 Å²	12	25 Å²	25	7%	0.073	12%	0.121	C	C	.	.	H	α-helix	trans	-64.4	-45	173.9	175.8	0	0	0	0	111.1	E200 A201 V202 K206 H207 L208 L282 E286 L289 F290	E200-V204 PolarHBondContact O-N 3.31Å; E200-V204 VanDerWaalsContact O-N 3.15Å; A201-V204 WeakPolarHBondContact O-CB 3.22Å; A201-V204 PolarHBondContact O-N 3.14Å; V202-V204 VanDerWaalsContact C-N 3.32Å; V202-V204 PolarHBondContact O-N 3.45Å; V204-K206 PolarHBondContact O-N 3.07Å; V204-H207 PolarHBondContact O-N 3.42Å; V204-L208 HydrophobicContact CG1-CD1 4.11Å; V204-L208 HydrophobicContact CG1-CG 4.38Å; V204-L208 WeakPolarHBondContact O-CB 3.28Å; V204-L208 WeakPolarHBondContact O-CG 3.42Å; V204-L208 PolarHBondContact O-N 3.17Å; V204-L282 HydrophobicContact CG1-CD2 3.58Å; V204-E286 HydrophobicContact CG2-CB 4.34Å; V204-E286 HydrophobicContact CG2-CG 3.85Å; V204-L289 HydrophobicContact CG2-CD1 3.96Å; V204-F290 HydrophobicContact CB-CE2 4.24Å; V204-F290 HydrophobicContact CB-CZ 4.32Å; V204-F290 HydrophobicContact CG1-CE2 3.99Å; V204-F290 HydrophobicContact CG1-CZ 4.31Å
205	L	96.6	Very high	93.8	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-59.5	-45.6	176.6	-68.1	178.9	0	0	0	111.6	A201 V202 H207 L208 R209 F290 S507 L508 W513 Y514	A201-L205 WeakPolarHBondContact O-CG 3.45Å; A201-L205 PolarHBondContact O-N 3.06Å; V202-L205 PolarHBondContact O-N 3.21Å; L205-H207 PolarHBondContact O-N 2.76Å; L205-L208 PolarHBondContact O-N 2.87Å; L205-R209 PolarHBondContact O-N 3.04Å; L205-F290 HydrophobicContact CD1-CE1 4.23Å; L205-F290 HydrophobicContact CD2-CE1 3.78Å; L205-F290 HydrophobicContact CD2-CZ 3.83Å; L205-F290 HydrophobicContact CG-CE1 3.95Å; L205-F290 HydrophobicContact CG-CZ 3.89Å; L205-S507 VanDerWaalsContact CD2-O 3.28Å; L205-S507 WeakPolarHBondContact CD2-O 3.46Å; L205-L508 HydrophobicContact CD2-CD2 4.12Å; L205-W513 HydrophobicContact CB-CE3 4.06Å; L205-W513 HydrophobicContact CB-CZ3 4.26Å; L205-W513 HydrophobicContact CD1-CB 4.38Å; L205-W513 HydrophobicContact CD1-CE3 4.5Å; L205-Y514 VanDerWaalsContact CA-OH 3.23Å; L205-Y514 WeakPolarHBondContact CA-OH 3.36Å; L205-Y514 HydrophobicContact CB-CE1 3.88Å; L205-Y514 WeakPolarHBondContact CB-OH 3.39Å; L205-Y514 HydrophobicContact CD2-CE2 4.06Å; L205-Y514 WeakPolarHBondContact CD2-OH 3.2Å; L205-Y514 WeakPolarHBondContact O-CE1 3.43Å; L205-Y514 PolarHBondContact O-OH 3.11Å
206	K	94.6	Very high	93.5	Very high	79 Å²	79	24.1 Å²	24.1	34%	0.343	12%	0.116	S	C	.	.	H	α-helix	trans	-57.6	-50.5	175.2	-175.6	175.4	179.2	177.7	0	111.2	V202 A203 V204 L208 R209 E210 W513	V202-K206 WeakPolarHBondContact O-CB 3.31Å; V202-K206 PolarHBondContact O-N 3.35Å; A203-K206 PolarHBondContact O-N 3.24Å; V204-K206 PolarHBondContact O-N 3.07Å; K206-L208 VanDerWaalsContact C-N 3.35Å; K206-L208 PolarHBondContact O-N 3.24Å; K206-R209 PolarHBondContact O-N 3.28Å; K206-E210 WeakPolarHBondContact CE-OE1 3.34Å; K206-E210 VanDerWaalsContact CG-OE1 3.31Å; K206-E210 WeakPolarHBondContact CG-OE1 3.25Å; K206-E210 WeakPolarHBondContact O-CG 3.5Å; K206-E210 PolarHBondContact O-N 3.33Å; K206-E210 VanDerWaalsContact O-N 3.1Å; K206-W513 HydrophobicContact CB-CH2 3.82Å; K206-W513 HydrophobicContact CB-CZ3 4.26Å; K206-W513 HydrophobicContact CG-CH2 4.26Å
207	H	92.6	Very high	93.2	Very high	94 Å²	94	26.4 Å²	26.4	44%	0.435	13%	0.126	S	C	.	.	H	α-helix	trans	-57.1	-47.1	177.8	179.2	71.5	0	0	0	111.9	A203 V204 L205 R209 E210 H211	A203-H207 WeakPolarHBondContact O-CB 3.4Å; A203-H207 PolarHBondContact O-N 3.03Å; V204-H207 PolarHBondContact O-N 3.42Å; L205-H207 PolarHBondContact O-N 2.76Å; H207-R209 PolarHBondContact O-N 2.88Å; H207-E210 PolarHBondContact O-N 2.82Å; H207-H211 AromaticContact CE1-CE1 3.86Å; H207-H211 AromaticContact CE1-CG 3.56Å; H207-H211 AromaticContact CE1-ND1 3.45Å; H207-H211 PolarHBondContact CE1-ND1 2.87Å; H207-H211 AromaticContact CG-ND1 3.97Å; H207-H211 AromaticContact ND1-CE1 3.57Å; H207-H211 AromaticContact ND1-CG 3.83Å; H207-H211 AromaticContact ND1-ND1 3.22Å; H207-H211 PolarHBondContact ND1-ND1 3.22Å; H207-H211 WeakPolarHBondContact O-CB 3.35Å; H207-H211 PolarHBondContact O-N 2.95Å; H207-H211 PolarHBondContact O-ND1 3.26Å
208	L	93.7	Very high	93.1	Very high	6 Å²	6	26.4 Å²	26.4	3%	0.031	13%	0.126	C	C	.	.	H	α-helix	trans	-59.5	-45.8	177	-73	174.7	0	0	0	111.5	V204 L205 K206 E210 R212 R215 L281 L282 L508	V204-L208 HydrophobicContact CG1-CD1 4.11Å; V204-L208 HydrophobicContact CG1-CG 4.38Å; V204-L208 WeakPolarHBondContact O-CB 3.28Å; V204-L208 WeakPolarHBondContact O-CG 3.42Å; V204-L208 PolarHBondContact O-N 3.17Å; L205-L208 PolarHBondContact O-N 2.87Å; K206-L208 VanDerWaalsContact C-N 3.35Å; K206-L208 PolarHBondContact O-N 3.24Å; L208-E210 VanDerWaalsContact C-N 3.31Å; L208-E210 PolarHBondContact O-N 3.42Å; L208-R212 HydrophobicContact CD2-CB 4.25Å; L208-R212 HydrophobicContact CD2-CG 4.23Å; L208-R212 CarbonylContact O-C 3.47Å; L208-R212 VanDerWaalsContact O-C 3.28Å; L208-R212 VanDerWaalsContact O-CA 3.28Å; L208-R212 WeakPolarHBondContact O-CA 2.96Å; L208-R212 WeakPolarHBondContact O-CB 3.18Å; L208-R212 PolarHBondContact O-N 2.91Å; L208-R215 PolarHBondContact O-NH1 3.44Å; L208-L281 HydrophobicContact CD2-CB 4.11Å; L208-L282 HydrophobicContact CD1-CD2 3.99Å; L208-L508 HydrophobicContact CD1-CD2 3.92Å
209	R	92.8	Very high	93.1	Very high	15 Å²	15	28.7 Å²	28.7	6%	0.057	14%	0.135	C	C	.	.	H	α-helix	trans	-60.4	-39	179.3	-174.8	168.6	65.5	-175.3	1.9	112.5	L205 K206 H207 F464 Y514 Q517	L205-R209 PolarHBondContact O-N 3.04Å; K206-R209 PolarHBondContact O-N 3.28Å; H207-R209 PolarHBondContact O-N 2.88Å; R209-F464 WeakPolarHBondContact CD-O 3.11Å; R209-F464 WeakPolarHBondContact CG-O 3.44Å; R209-Y514 HydrophobicContact CB-CE1 3.84Å; R209-Y514 HydrophobicContact CG-CE1 4.41Å; R209-Q517 VanDerWaalsContact NH2-OE1 3.13Å
210	E	88.3	Confident	93.2	Very high	59 Å²	59	28.7 Å²	28.7	28%	0.276	14%	0.135	S	C	.	.	H	α-helix	trans	-77.2	-39.6	-178.1	-69.6	167.9	-176.4	0	0	113.1	F66 K206 H207 L208	F66-E210 PolarHBondContact N-O 3.16Å; F66-E210 VanDerWaalsContact N-O 3.12Å; K206-E210 WeakPolarHBondContact CE-OE1 3.34Å; K206-E210 VanDerWaalsContact CG-OE1 3.31Å; K206-E210 WeakPolarHBondContact CG-OE1 3.25Å; K206-E210 WeakPolarHBondContact O-CG 3.5Å; K206-E210 PolarHBondContact O-N 3.33Å; K206-E210 VanDerWaalsContact O-N 3.1Å; H207-E210 PolarHBondContact O-N 2.82Å; L208-E210 VanDerWaalsContact C-N 3.31Å; L208-E210 PolarHBondContact O-N 3.42Å
211	H	87.8	Confident	93.4	Very high	69 Å²	69	29.8 Å²	29.8	32%	0.319	14%	0.141	S	C	.	.	H	α-helix	trans	-107.6	-23.3	-168.7	-61.2	79.5	0	0	0	113.9	H207	H207-H211 AromaticContact CE1-CE1 3.86Å; H207-H211 AromaticContact CE1-CG 3.56Å; H207-H211 AromaticContact CE1-ND1 3.45Å; H207-H211 PolarHBondContact CE1-ND1 2.87Å; H207-H211 AromaticContact CG-ND1 3.97Å; H207-H211 AromaticContact ND1-CE1 3.57Å; H207-H211 AromaticContact ND1-CG 3.83Å; H207-H211 AromaticContact ND1-ND1 3.22Å; H207-H211 PolarHBondContact ND1-ND1 3.22Å; H207-H211 WeakPolarHBondContact O-CB 3.35Å; H207-H211 PolarHBondContact O-N 2.95Å; H207-H211 PolarHBondContact O-ND1 3.26Å
212	R	89.9	Confident	93.5	Very high	90 Å²	90	29.8 Å²	29.8	34%	0.34	14%	0.141	S	C	.	.			trans	-126.8	51.5	-176.7	-58.9	-59.4	-59	-86.4	2.8	113.1	L208 D214 R215	L208-R212 HydrophobicContact CD2-CB 4.25Å; L208-R212 HydrophobicContact CD2-CG 4.23Å; L208-R212 CarbonylContact O-C 3.47Å; L208-R212 VanDerWaalsContact O-C 3.28Å; L208-R212 VanDerWaalsContact O-CA 3.28Å; L208-R212 WeakPolarHBondContact O-CA 2.96Å; L208-R212 WeakPolarHBondContact O-CB 3.18Å; L208-R212 PolarHBondContact O-N 2.91Å; R212-D214 VanDerWaalsContact C-OD1 3.25Å; R212-D214 WeakPolarHBondContact CA-OD1 3.39Å; R212-D214 IonicContact NE-OD1 3.21Å; R212-D214 PolarHBondContact NE-OD1 3.17Å; R212-D214 IonicContact NE-OD2 3.63Å; R212-D214 IonicContact NH2-OD2 2.88Å; R212-D214 PolarHBondContact O-N 3.32Å; R212-R215 VanDerWaalsContact O-CB 3.32Å; R212-R215 WeakPolarHBondContact O-CB 3.4Å; R212-R215 WeakPolarHBondContact O-CG 3.16Å; R212-R215 PolarHBondContact O-N 2.83Å; R212-R215 PolarHBondContact O-NH1 3.39Å
213	P	89	Confident	93.5	Very high	1 Å²	1	35.6 Å²	35.6	1%	0.006	16%	0.163	C	C	.	.	G	3₁₀ helix	trans	-70.4	-20.3	173.8	32.4	-36.4	0	0	0	112.7	F66 R215 T463 F464	F66-P213 HydrophobicContact CB-CG 3.65Å; F66-P213 HydrophobicContact CD1-CG 3.43Å; F66-P213 VanDerWaalsContact CD1-CG 3.43Å; F66-P213 HydrophobicContact CE1-CG 4.33Å; F66-P213 HydrophobicContact CG-CG 3.79Å; P213-R215 PolarHBondContact O-N 3.2Å; P213-T463 VanDerWaalsContact CA-O 3.27Å; P213-T463 WeakPolarHBondContact CA-O 3.48Å; P213-T463 WeakPolarHBondContact CB-O 3.26Å; P213-F464 HydrophobicContact CB-CD1 4.19Å
214	D	87.6	Confident	93.6	Very high	30 Å²	30	39 Å²	39	16%	0.16	18%	0.175	C	C	.	.	G	3₁₀ helix	trans	-62.8	-14.1	170.7	70.4	-50	0	0	0	113.6	F66 R212 V216 L278	F66-D214 HydrophobicContact CE1-CB 4.28Å; F66-D214 HydrophobicContact CZ-CB 4.13Å; R212-D214 VanDerWaalsContact C-OD1 3.25Å; R212-D214 WeakPolarHBondContact CA-OD1 3.39Å; R212-D214 IonicContact NE-OD1 3.21Å; R212-D214 PolarHBondContact NE-OD1 3.17Å; R212-D214 IonicContact NE-OD2 3.63Å; R212-D214 IonicContact NH2-OD2 2.88Å; R212-D214 PolarHBondContact O-N 3.32Å; D214-V216 CarbonylContact O-C 3.57Å; D214-V216 VanDerWaalsContact O-C 3.29Å; D214-V216 PolarHBondContact O-N 3.16Å; D214-L278 WeakPolarHBondContact OD2-CD1 3.35Å
215	R	92.4	Very high	93.6	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	21%	0.205	C	C	.	.	G	3₁₀ helix	trans	-56.7	-21.4	177.8	76.8	177.9	172.6	-91.9	12.3	113.7	L208 R212 P213 Y277 L278 L281 T463 L508 Y509 Y514	L208-R215 PolarHBondContact O-NH1 3.44Å; R212-R215 VanDerWaalsContact O-CB 3.32Å; R212-R215 WeakPolarHBondContact O-CB 3.4Å; R212-R215 WeakPolarHBondContact O-CG 3.16Å; R212-R215 PolarHBondContact O-N 2.83Å; R212-R215 PolarHBondContact O-NH1 3.39Å; P213-R215 PolarHBondContact O-N 3.2Å; R215-Y277 CarbonylContact O-C 3.5Å; R215-Y277 WeakPolarHBondContact O-CA 3.4Å; R215-L278 HydrophobicContact CB-CB 4.45Å; R215-L278 PolarHBondContact O-N 3.03Å; R215-L281 HydrophobicContact CB-CD1 3.89Å; R215-L281 HydrophobicContact CB-CD2 3.97Å; R215-L281 HydrophobicContact CG-CD1 4.31Å; R215-T463 HydrophobicContact CG-CG2 4.18Å; R215-L508 PolarHBondContact NE-O 3.3Å; R215-L508 PolarHBondContact NH2-O 2.94Å; R215-L508 VanDerWaalsContact NH2-O 3.16Å; R215-Y509 HydrophobicContact CB-CE1 4.19Å; R215-Y509 HydrophobicContact CG-CD1 4.08Å; R215-Y509 HydrophobicContact CG-CE1 3.87Å; R215-Y514 VanDerWaalsContact NH2-CZ 3.33Å; R215-Y514 PolarHBondContact NH2-OH 3.19Å
216	V	92.6	Very high	93.4	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	118.6	160.6	-167.9	0	0	0	0	107.3	D214 F218 N234 Y277 R426 T463 Y509	D214-V216 CarbonylContact O-C 3.57Å; D214-V216 VanDerWaalsContact O-C 3.29Å; D214-V216 PolarHBondContact O-N 3.16Å; V216-F218 HydrophobicContact CB-CZ 4.42Å; V216-F218 HydrophobicContact CG1-CE1 4.16Å; V216-F218 HydrophobicContact CG1-CE2 4.14Å; V216-F218 HydrophobicContact CG1-CZ 3.64Å; V216-N234 PolarHBondContact O-ND2 3.39Å; V216-Y277 HydrophobicContact CG1-CD1 4.33Å; V216-Y277 HydrophobicContact CG1-CE1 4.06Å; V216-Y277 HydrophobicContact CG2-CD1 3.83Å; V216-Y277 HydrophobicContact CG2-CE1 3.79Å; V216-R426 HydrophobicContact CG1-CG 4.42Å; V216-T463 HydrophobicContact CG2-CG2 3.66Å; V216-T463 WeakPolarHBondContact CG2-OG1 3.39Å; V216-Y509 HydrophobicContact CG2-CD1 3.9Å; V216-Y509 HydrophobicContact CG2-CE1 4.48Å
217	F	91.4	Very high	93.6	Very high	47 Å²	47	50 Å²	50	21%	0.206	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	153.3	178.4	67	-77.2	0	0	0	110.4	K219 V232 G275 G276 L278	F217-K219 VanDerWaalsContact CE2-CE 3.48Å; F217-V232 HydrophobicContact CB-CG1 4.45Å; F217-G275 VanDerWaalsContact CZ-C 3.47Å; F217-G275 VanDerWaalsContact CZ-O 3.29Å; F217-G275 WeakPolarHBondContact CZ-O 3.34Å; F217-G275 VanDerWaalsContact O-CA 3.26Å; F217-G275 WeakPolarHBondContact O-CA 3.32Å; F217-G275 PolarHBondContact O-N 3.44Å; F217-G276 PolarHBondContact N-O 3.32Å; F217-G276 PolarHBondContact O-N 3.24Å; F217-L278 HydrophobicContact CD1-CD2 3.97Å; F217-L278 HydrophobicContact CD1-CG 4.26Å; F217-L278 HydrophobicContact CE1-CD2 3.82Å; F217-L278 HydrophobicContact CE1-CG 4.48Å
218	F	96.3	Very high	93.8	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	165.3	-177	-52.1	-89	0	0	0	109.7	V216 V232 C233 W256 H272 A273 P424 I425 R426 F464	V216-F218 HydrophobicContact CB-CZ 4.42Å; V216-F218 HydrophobicContact CG1-CE1 4.16Å; V216-F218 HydrophobicContact CG1-CE2 4.14Å; V216-F218 HydrophobicContact CG1-CZ 3.64Å; F218-V232 CarbonylContact O-C 3.55Å; F218-V232 WeakPolarHBondContact O-CA 3.45Å; F218-V232 WeakPolarHBondContact O-CG1 3.18Å; F218-C233 CarbonylContact C-O 3.52Å; F218-C233 WeakPolarHBondContact CA-O 3.47Å; F218-C233 HydrophobicContact CB-CB 4.35Å; F218-C233 VanDerWaalsContact CB-O 3.29Å; F218-C233 WeakPolarHBondContact CB-O 3.45Å; F218-C233 PolarHBondContact N-O 3.46Å; F218-C233 VanDerWaalsContact N-O 3.12Å; F218-C233 PolarHBondContact O-N 3.18Å; F218-C233 VanDerWaalsContact O-O 3.09Å; F218-W256 HydrophobicContact CB-CH2 4.06Å; F218-W256 HydrophobicContact CB-CZ2 4.06Å; F218-W256 AromaticContact CD2-CH2 3.74Å; F218-W256 HydrophobicContact CD2-CH2 3.74Å; F218-W256 HydrophobicContact CE2-CH2 4.41Å; F218-W256 AromaticContact CG-CH2 3.85Å; F218-W256 HydrophobicContact CG-CH2 3.85Å; F218-W256 HydrophobicContact CG-CZ2 4.32Å; F218-H272 AromaticContact CD1-CE1 3.3Å; F218-H272 WeakPolarHBondContact CD1-CE1 3.26Å; F218-H272 AromaticContact CD1-NE2 3.52Å; F218-H272 AromaticContact CG-CE1 3.63Å; F218-A273 CarbonylContact C-O 3.51Å; F218-A273 VanDerWaalsContact CA-O 3.31Å; F218-A273 WeakPolarHBondContact CA-O 3.31Å; F218-A273 WeakPolarHBondContact CB-O 3.2Å; F218-P424 HydrophobicContact CE1-CB 4.1Å; F218-P424 HydrophobicContact CE2-CB 3.8Å; F218-P424 HydrophobicContact CZ-CB 3.52Å; F218-I425 VanDerWaalsContact CE1-O 3.23Å; F218-I425 WeakPolarHBondContact CE1-O 3.36Å; F218-R426 HydrophobicContact CE1-CG 4.11Å; F218-R426 HydrophobicContact CZ-CG 4.19Å; F218-F464 HydrophobicContact CE2-CE2 4.49Å; F218-F464 AromaticContact CE2-CZ 3.95Å; F218-F464 HydrophobicContact CE2-CZ 3.95Å
219	K	96.9	Very high	94	Very high	53 Å²	53	50.4 Å²	50.4	23%	0.23	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	157.2	177.4	-65	-178.1	-174.4	178	0	110.3	F217 T230 T231 A273	F217-K219 VanDerWaalsContact CE2-CE 3.48Å; K219-T230 HydrophobicContact CB-CG2 3.83Å; K219-T230 HydrophobicContact CD-CG2 3.88Å; K219-T230 HydrophobicContact CG-CG2 4.31Å; K219-T231 CarbonylContact C-O 3.5Å; K219-T231 WeakPolarHBondContact CA-O 3.25Å; K219-T231 WeakPolarHBondContact CB-O 3.46Å; K219-A273 PolarHBondContact N-O 2.83Å; K219-A273 PolarHBondContact O-N 3.42Å
220	S	97.9	Very high	94.2	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	136.9	167.5	-77.9	0	0	0	0	109.8	F222 T230 T231 C233 R269 N271	S220-F222 WeakPolarHBondContact O-CD2 3.05Å; S220-T230 WeakPolarHBondContact O-CA 3.25Å; S220-T231 PolarHBondContact N-O 3.31Å; S220-T231 PolarHBondContact O-N 3.41Å; S220-T231 VanDerWaalsContact O-N 3.07Å; S220-C233 WeakPolarHBondContact CB-SG 3.35Å; S220-C233 PolarHBondContact N-SG 2.94Å; S220-C233 VanDerWaalsContact N-SG 3.45Å; S220-C233 PolarHBondContact OG-SG 3.01Å; S220-R269 PolarHBondContact OG-NE 3.33Å; S220-N271 WeakPolarHBondContact CB-O 3.26Å; S220-N271 PolarHBondContact OG-O 3.3Å
221	L	98	Very high	94.6	Very high	29 Å²	29	52 Å²	52	15%	0.152	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	132.9	163.9	178.2	66.6	0	0	0	109.1	I270 N271	L221-I270 HydrophobicContact CB-CB 4.41Å; L221-I270 HydrophobicContact CD2-CB 4.45Å; L221-I270 HydrophobicContact CD2-CG2 4.49Å; L221-I270 HydrophobicContact CG-CB 4.44Å; L221-I270 HydrophobicContact CG-CG1 4.47Å; L221-I270 WeakPolarHBondContact O-CB 3.05Å; L221-I270 PolarHBondContact O-N 2.73Å; L221-N271 WeakPolarHBondContact CB-OD1 3.39Å; L221-N271 PolarHBondContact N-OD1 3.47Å
222	F	98.4	Very high	94.9	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	136.7	170.5	-67.8	-100	0	0	0	108.2	S220 S228 E229 T231 Y247 C258 P261 L264 T268 R269	S220-F222 WeakPolarHBondContact O-CD2 3.05Å; F222-S228 WeakPolarHBondContact O-CA 3.36Å; F222-S228 WeakPolarHBondContact O-CB 3.19Å; F222-E229 PolarHBondContact N-O 2.69Å; F222-E229 PolarHBondContact O-N 3.1Å; F222-T231 WeakPolarHBondContact CE2-OG1 3.46Å; F222-Y247 WeakPolarHBondContact CE1-OH 3.24Å; F222-Y247 WeakPolarHBondContact CZ-OH 3.4Å; F222-C258 HydrophobicContact CE2-CB 4.47Å; F222-C258 HydrophobicContact CZ-CB 4.13Å; F222-P261 HydrophobicContact CB-CG 3.79Å; F222-P261 HydrophobicContact CD1-CG 3.56Å; F222-P261 HydrophobicContact CD2-CG 3.6Å; F222-P261 HydrophobicContact CE1-CG 3.97Å; F222-P261 HydrophobicContact CE2-CG 4.04Å; F222-P261 HydrophobicContact CG-CG 3.35Å; F222-P261 HydrophobicContact CZ-CG 4.2Å; F222-L264 HydrophobicContact CB-CB 4.31Å; F222-L264 HydrophobicContact CB-CD1 3.79Å; F222-L264 WeakPolarHBondContact O-CD1 3.4Å; F222-T268 CarbonylContact C-O 3.52Å; F222-T268 VanDerWaalsContact CA-O 3.28Å; F222-T268 WeakPolarHBondContact CA-O 3.26Å; F222-R269 HydrophobicContact CD1-CB 3.98Å; F222-R269 HydrophobicContact CE1-CB 3.65Å; F222-R269 HydrophobicContact CE1-CG 4.15Å; F222-R269 HydrophobicContact CZ-CB 4.16Å; F222-R269 HydrophobicContact CZ-CG 4.14Å
223	R	97.8	Very high	95.1	Very high	127 Å²	127	46.2 Å²	46.2	48%	0.479	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	132.1	-176.9	-174.4	177.6	-70.6	177.9	-4.6	112.8	L227 T268 I270	R223-L227 WeakPolarHBondContact CA-O 3.41Å; R223-L227 WeakPolarHBondContact CG-O 3.37Å; R223-T268 PolarHBondContact N-O 3.19Å; R223-T268 WeakPolarHBondContact O-CB 3.19Å; R223-I270 HydrophobicContact CB-CD1 4.06Å; R223-I270 HydrophobicContact CB-CG1 3.7Å
224	L	96.6	Very high	95.3	Very high	109 Å²	109	46.4 Å²	46.4	57%	0.571	25%	0.25	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-135.1	106.4	169	-175.2	65.5	0	0	0	109	F226 L227 L264 T268	L224-F226 PolarHBondContact O-N 3.12Å; L224-L227 PolarHBondContact N-O 2.84Å; L224-L227 WeakPolarHBondContact O-CB 3.36Å; L224-L227 PolarHBondContact O-N 2.95Å; L224-L227 VanDerWaalsContact O-N 3.11Å; L224-L264 HydrophobicContact CB-CD2 3.61Å; L224-T268 HydrophobicContact CB-CG2 4.09Å; L224-T268 HydrophobicContact CD1-CG2 4.5Å
225	G	94.2	Very high	95.3	Very high	67 Å²	67	45 Å²	45	69%	0.691	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.8	-122.7	-171.9	0	0	0	0	0	111.8
226	F	93.8	Very high	94.8	Very high	187 Å²	187	45.4 Å²	45.4	82%	0.82	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.3	-14.8	177.7	65.8	-92.2	0	0	0	113.7	L224	L224-F226 PolarHBondContact O-N 3.12Å
227	L	96.8	Very high	94.3	Very high	67 Å²	67	46.6 Å²	46.6	35%	0.351	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76	131.4	178.2	-63.7	175.1	0	0	0	109.4	R223 L224 I263 L264	R223-L227 WeakPolarHBondContact CA-O 3.41Å; R223-L227 WeakPolarHBondContact CG-O 3.37Å; L224-L227 PolarHBondContact N-O 2.84Å; L224-L227 WeakPolarHBondContact O-CB 3.36Å; L224-L227 PolarHBondContact O-N 2.95Å; L224-L227 VanDerWaalsContact O-N 3.11Å; L227-I263 HydrophobicContact CD1-CG2 4.42Å; L227-L264 HydrophobicContact CB-CD2 3.91Å; L227-L264 HydrophobicContact CD1-CD2 4.34Å
228	S	97.3	Very high	93.6	Very high	68 Å²	68	46.3 Å²	46.3	48%	0.476	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	139.6	172.1	68.4	0	0	0	0	112.4	F222	F222-S228 WeakPolarHBondContact O-CA 3.36Å; F222-S228 WeakPolarHBondContact O-CB 3.19Å
229	E	97.4	Very high	92.2	Very high	40 Å²	40	50.7 Å²	50.7	19%	0.187	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	143.8	176.8	-68.9	-177.1	-96.4	0	0	108.4	F222 P261 K262 I263 L264	F222-E229 PolarHBondContact N-O 2.69Å; F222-E229 PolarHBondContact O-N 3.1Å; E229-P261 HydrophobicContact CB-CB 3.99Å; E229-P261 HydrophobicContact CG-CB 4.41Å; E229-P261 VanDerWaalsContact OE1-CB 3.3Å; E229-P261 WeakPolarHBondContact OE1-CB 3.47Å; E229-K262 PolarHBondContact OE1-N 2.8Å; E229-K262 PolarHBondContact OE2-N 3.25Å; E229-I263 WeakPolarHBondContact OE1-CA 3.44Å; E229-I263 VanDerWaalsContact OE1-CB 3.29Å; E229-I263 WeakPolarHBondContact OE1-CB 3.35Å; E229-I263 PolarHBondContact OE1-N 2.87Å; E229-L264 HydrophobicContact CB-CD1 4.2Å; E229-L264 HydrophobicContact CG-CD1 4.25Å; E229-L264 PolarHBondContact OE1-N 3.01Å
230	T	97.6	Very high	90.9	Very high	88 Å²	88	54.3 Å²	54.3	54%	0.54	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	123.6	173.2	-62.2	0	0	0	0	108.7	K219 S220	K219-T230 HydrophobicContact CB-CG2 3.83Å; K219-T230 HydrophobicContact CD-CG2 3.88Å; K219-T230 HydrophobicContact CG-CG2 4.31Å; S220-T230 WeakPolarHBondContact O-CA 3.25Å
231	T	96.4	Very high	89.2	Confident	19 Å²	19	59.4 Å²	59.4	12%	0.117	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	158.8	179.2	68.1	0	0	0	0	111.1	K219 S220 F222 Y259 P261	K219-T231 CarbonylContact C-O 3.5Å; K219-T231 WeakPolarHBondContact CA-O 3.25Å; K219-T231 WeakPolarHBondContact CB-O 3.46Å; S220-T231 PolarHBondContact N-O 3.31Å; S220-T231 PolarHBondContact O-N 3.41Å; S220-T231 VanDerWaalsContact O-N 3.07Å; F222-T231 WeakPolarHBondContact CE2-OG1 3.46Å; T231-Y259 WeakPolarHBondContact CB-O 3.47Å; T231-Y259 PolarHBondContact OG1-O 3.26Å; T231-P261 HydrophobicContact CG2-CB 4.22Å; T231-P261 HydrophobicContact CG2-CG 4.04Å
232	V	95.4	Very high	88.2	Confident	39 Å²	39	62.8 Å²	62.8	24%	0.236	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	138.9	178.9	179	0	0	0	0	109.4	F217 F218 L237 C258 Y259	F217-V232 HydrophobicContact CB-CG1 4.45Å; F218-V232 CarbonylContact O-C 3.55Å; F218-V232 WeakPolarHBondContact O-CA 3.45Å; F218-V232 WeakPolarHBondContact O-CG1 3.18Å; V232-L237 HydrophobicContact CG1-CD2 4.24Å; V232-C258 CarbonylContact O-C 3.6Å; V232-C258 VanDerWaalsContact O-CA 3.31Å; V232-C258 WeakPolarHBondContact O-CA 3.47Å; V232-Y259 HydrophobicContact CB-CD2 3.86Å; V232-Y259 HydrophobicContact CB-CE2 4.14Å; V232-Y259 PolarHBondContact O-N 2.95Å
233	C	94.1	Very high	87.8	Confident	0 Å²	0	66.6 Å²	66.6	0%	0	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	145.3	174	-54.6	0	0	0	0	109.6	F218 S220 W256 Y257 C258	F218-C233 CarbonylContact C-O 3.52Å; F218-C233 WeakPolarHBondContact CA-O 3.47Å; F218-C233 HydrophobicContact CB-CB 4.35Å; F218-C233 VanDerWaalsContact CB-O 3.29Å; F218-C233 WeakPolarHBondContact CB-O 3.45Å; F218-C233 PolarHBondContact N-O 3.46Å; F218-C233 VanDerWaalsContact N-O 3.12Å; F218-C233 PolarHBondContact O-N 3.18Å; F218-C233 VanDerWaalsContact O-O 3.09Å; S220-C233 WeakPolarHBondContact CB-SG 3.35Å; S220-C233 PolarHBondContact N-SG 2.94Å; S220-C233 VanDerWaalsContact N-SG 3.45Å; S220-C233 PolarHBondContact OG-SG 3.01Å; C233-W256 HydrophobicContact CB-CZ2 3.9Å; C233-Y257 CarbonylContact C-O 3.55Å; C233-Y257 WeakPolarHBondContact CA-O 3.15Å; C233-Y257 WeakPolarHBondContact CB-O 3.39Å; C233-C258 HydrophobicContact CB-CB 4.01Å; C233-C258 WeakPolarHBondContact CB-SG 3.06Å; C233-C258 WeakPolarHBondContact SG-CB 3.47Å; C233-C258 CovalentContact SG-SG 2.03Å; C233-C258 PolarHBondContact SG-SG 3.12Å
234	N	91.9	Very high	87.5	Confident	5 Å²	5	63 Å²	63	3%	0.027	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.5	167.4	168.4	-143.7	-31.3	0	0	0	109.5	V216 L237 Y257	V216-N234 PolarHBondContact O-ND2 3.39Å; N234-L237 HydrophobicContact CB-CD2 3.56Å; N234-L237 HydrophobicContact CB-CG 3.75Å; N234-Y257 PolarHBondContact N-O 3.15Å; N234-Y257 PolarHBondContact O-N 2.78Å; N234-Y257 VanDerWaalsContact O-N 3.1Å; N234-Y257 VanDerWaalsContact O-O 3.08Å
235	M	88.4	Confident	87.5	Confident	0 Å²	0	57.8 Å²	57.8	0%	0	34%	0.335	C	S	.	.	S	Bend	trans	-66.4	-49.8	169.4	-175.8	171.2	-71.9	0	0	109.8	L70 E254 P255 W256 Y257 F464 V468 R471	L70-M235 HydrophobicContact CD1-CG 3.81Å; L70-M235 WeakPolarHBondContact CD1-O 3.48Å; L70-M235 HydrophobicContact CD2-CG 3.47Å; L70-M235 VanDerWaalsContact CD2-CG 3.47Å; L70-M235 HydrophobicContact CD2-SD 3.55Å; L70-M235 VanDerWaalsContact CD2-SD 3.55Å; L70-M235 HydrophobicContact CG-CG 4.21Å; M235-E254 WeakPolarHBondContact CE-OE1 3.48Å; M235-P255 HydrophobicContact CG-CG 3.99Å; M235-P255 HydrophobicContact SD-CG 4.4Å; M235-W256 HydrophobicContact CB-CE3 4.27Å; M235-W256 HydrophobicContact CB-CZ3 4.24Å; M235-Y257 VanDerWaalsContact O-CD2 3.24Å; M235-Y257 WeakPolarHBondContact O-CD2 3.45Å; M235-F464 HydrophobicContact CB-CE1 4.29Å; M235-V468 HydrophobicContact CE-CG1 3.89Å; M235-V468 HydrophobicContact SD-CB 4.18Å; M235-V468 HydrophobicContact SD-CG1 3.26Å; M235-V468 WeakPolarHBondContact SD-CG1 3.3Å; M235-V468 HydrophobicContact SD-CG2 3.88Å; M235-R471 PolarHBondContact SD-NH2 3.18Å; M235-R471 VanDerWaalsContact SD-NH2 3.42Å
236	C	82.3	Confident	87.5	Confident	9 Å²	9	59.5 Å²	59.5	6%	0.061	33%	0.328	C	S	.	.	S	Bend	trans	-104.9	99	178.5	-30.5	0	0	0	0	108.1	F66 C67 L70	F66-C236 HydrophobicContact CD1-CB 4Å; F66-C236 HydrophobicContact CE1-CB 3.98Å; F66-C236 WeakPolarHBondContact CE1-O 3.43Å; C67-C236 HydrophobicContact CB-CB 3.89Å; C67-C236 WeakPolarHBondContact CB-SG 3.33Å; C67-C236 WeakPolarHBondContact SG-CB 3.46Å; C67-C236 CovalentContact SG-SG 2.02Å; C67-C236 PolarHBondContact SG-SG 2.83Å; L70-C236 HydrophobicContact CD1-CB 3.93Å
237	L	81.8	Confident	87.5	Confident	25 Å²	25	53.1 Å²	53.1	13%	0.131	30%	0.299	C	S	.	.			trans	-113.8	128.8	173.3	-76	-178.1	0	0	0	109.6	V232 N234 S239 L244 Y257 Y259	V232-L237 HydrophobicContact CG1-CD2 4.24Å; N234-L237 HydrophobicContact CB-CD2 3.56Å; N234-L237 HydrophobicContact CB-CG 3.75Å; L237-S239 PolarHBondContact O-N 3.46Å; L237-L244 HydrophobicContact CB-CD2 4.31Å; L237-L244 HydrophobicContact CD1-CD2 4.31Å; L237-Y257 WeakPolarHBondContact CD1-O 3.47Å; L237-Y259 HydrophobicContact CD2-CE2 4.17Å
238	P	75.3	Confident	87.3	Confident	41 Å²	41	51.5 Å²	51.5	27%	0.266	29%	0.292	S	S	.	.			trans	-56.2	118.9	172.1	-23.8	33.2	0	0	0	111.1	F66 D240	F66-P238 HydrophobicContact CZ-CG 4.13Å; P238-D240 VanDerWaalsContact CB-OD1 3.26Å; P238-D240 WeakPolarHBondContact CB-OD1 3.49Å
239	S	68.1	Low	87.1	Confident	92 Å²	92	49.2 Å²	49.2	64%	0.643	27%	0.274	S	S	*	.	S	Bend	trans	-89	-15.1	-176.7	62.3	0	0	0	0	113.7	L237 Q241	L237-S239 PolarHBondContact O-N 3.46Å; S239-Q241 VanDerWaalsContact C-N 3.28Å; S239-Q241 PolarHBondContact O-N 3.47Å
240	D	68.4	Low	86.8	Confident	129 Å²	129	55.1 Å²	55.1	69%	0.69	31%	0.306	S	S	*	.	S	Bend	trans	-69.2	-23.9	-178.6	59	-36.6	0	0	0	113	P238	P238-D240 VanDerWaalsContact CB-OD1 3.26Å; P238-D240 WeakPolarHBondContact CB-OD1 3.49Å
241	Q	63.5	Low	86.3	Confident	107 Å²	107	60.4 Å²	60.4	50%	0.5	32%	0.318	S	S	.	.	S	Bend	trans	-98.8	-26.2	-173.3	-64.1	179	11.6	0	0	114	S239	S239-Q241 VanDerWaalsContact C-N 3.28Å; S239-Q241 PolarHBondContact O-N 3.47Å
242	H	76.1	Confident	85.9	Confident	99 Å²	99	60.4 Å²	60.4	46%	0.458	32%	0.317	S	S	.	.	S	Bend	trans	-153.2	145.7	-170.9	-64.6	-66.6	0	0	0	112.8	Y259	H242-Y259 HydrophobicContact CB-CD1 3.41Å; H242-Y259 VanDerWaalsContact CB-CD1 3.41Å; H242-Y259 HydrophobicContact CB-CE1 3.71Å; H242-Y259 HydrophobicContact CB-CG 4.27Å; H242-Y259 AromaticContact CD2-CE1 3.81Å
243	S	90.1	Very high	85.7	Confident	80 Å²	80	58.7 Å²	58.7	56%	0.559	31%	0.308	S	S	*	.			trans	-61.3	137.4	169.7	57.7	0	0	0	0	110.9	K260	S243-K260 VanDerWaalsContact O-CB 3.25Å; S243-K260 WeakPolarHBondContact O-CB 3.23Å; S243-K260 PolarHBondContact O-N 2.82Å; S243-K260 WeakPolarHBondContact OG-CB 3.37Å
244	L	93	Very high	85.6	Confident	51 Å²	51	58.7 Å²	58.7	27%	0.267	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	144.3	-175.4	-58.6	-179.8	0	0	0	112.2	L237 C258 Y259	L237-L244 HydrophobicContact CB-CD2 4.31Å; L237-L244 HydrophobicContact CD1-CD2 4.31Å; L244-C258 CarbonylContact C-O 3.58Å; L244-C258 WeakPolarHBondContact CA-O 3.39Å; L244-Y259 HydrophobicContact CD2-CD1 3.41Å; L244-Y259 VanDerWaalsContact CD2-CD1 3.41Å; L244-Y259 HydrophobicContact CD2-CE1 3.73Å; L244-Y259 HydrophobicContact CD2-CG 4.44Å
245	C	95.1	Very high	85.6	Confident	1 Å²	1	58.5 Å²	58.5	1%	0.007	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	125.7	158.4	-62.4	0	0	0	0	109.3	Y247 Y257 C258 C266	C245-Y247 HydrophobicContact CB-CD2 4.46Å; C245-Y247 HydrophobicContact CB-CE2 3.52Å; C245-Y247 VanDerWaalsContact CB-OH 3.27Å; C245-Y247 WeakPolarHBondContact CB-OH 3.36Å; C245-Y257 WeakPolarHBondContact O-CA 3.48Å; C245-C258 HydrophobicContact CB-CB 4.48Å; C245-C258 PolarHBondContact N-O 3.33Å; C245-C258 PolarHBondContact O-N 3.49Å; C245-C258 VanDerWaalsContact O-N 3.08Å; C245-C266 WeakPolarHBondContact CA-SG 3.44Å; C245-C266 HydrophobicContact CB-CB 3.6Å; C245-C266 WeakPolarHBondContact CB-SG 3.29Å; C245-C266 WeakPolarHBondContact SG-CA 3.17Å; C245-C266 WeakPolarHBondContact SG-CB 3.1Å; C245-C266 CovalentContact SG-SG 2.03Å; C245-C266 PolarHBondContact SG-SG 3.46Å
246	N	93.7	Very high	85.8	Confident	103 Å²	103	58.5 Å²	58.5	55%	0.551	31%	0.307	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-100.6	116.5	-178.6	-172.8	-7.1	0	0	0	110.8	T248 Y257	N246-T248 WeakPolarHBondContact OD1-CB 3.29Å; N246-T248 PolarHBondContact OD1-N 2.98Å; N246-T248 PolarHBondContact OD1-OG1 3.45Å; N246-Y257 HydrophobicContact CB-CD1 4.13Å; N246-Y257 HydrophobicContact CB-CE1 4.11Å; N246-Y257 WeakPolarHBondContact OD1-CE1 3.34Å
247	Y	94.6	Very high	86.4	Confident	53 Å²	53	60.7 Å²	60.7	21%	0.208	31%	0.314	C	S	.	.			trans	-117.2	30.4	175.9	-51.4	-73	0	0	0	111.5	F222 C245 D249 W256 C258 C266 R269	F222-Y247 WeakPolarHBondContact CE1-OH 3.24Å; F222-Y247 WeakPolarHBondContact CZ-OH 3.4Å; C245-Y247 HydrophobicContact CB-CD2 4.46Å; C245-Y247 HydrophobicContact CB-CE2 3.52Å; C245-Y247 VanDerWaalsContact CB-OH 3.27Å; C245-Y247 WeakPolarHBondContact CB-OH 3.36Å; Y247-D249 PolarHBondContact O-N 3.22Å; Y247-W256 CarbonylContact C-O 3.54Å; Y247-W256 WeakPolarHBondContact CA-O 3.37Å; Y247-W256 PolarHBondContact N-O 2.86Å; Y247-C258 HydrophobicContact CE2-CB 3.99Å; Y247-C266 PolarHBondContact OH-O 3.16Å; Y247-R269 HydrophobicContact CE1-CB 4.38Å; Y247-R269 VanDerWaalsContact CG-NH1 3.31Å; Y247-R269 VanDerWaalsContact CZ-CD 3.46Å
248	T	92.8	Very high	87	Confident	33 Å²	33	59.5 Å²	59.5	20%	0.202	31%	0.308	C	S	.	.			trans	-56.5	135.1	174.5	-63.6	0	0	0	0	109.9	N246 L250 G253 E254	N246-T248 WeakPolarHBondContact OD1-CB 3.29Å; N246-T248 PolarHBondContact OD1-N 2.98Å; N246-T248 PolarHBondContact OD1-OG1 3.45Å; T248-L250 PolarHBondContact O-N 2.89Å; T248-G253 WeakPolarHBondContact CG2-O 3.4Å; T248-E254 WeakPolarHBondContact CA-O 3.45Å
249	D	93.5	Very high	87.9	Confident	19 Å²	19	59.3 Å²	59.3	10%	0.102	30%	0.302	C	S	.	.			trans	-60.3	126.8	176.1	-177	75.9	0	0	0	110.6	Y247 Y251 T252 G253 E254 Y437 F439 N440	Y247-D249 PolarHBondContact O-N 3.22Å; D249-Y251 VanDerWaalsContact C-N 3.28Å; D249-Y251 PolarHBondContact O-N 3.29Å; D249-Y251 PolarHBondContact OD2-N 2.94Å; D249-Y251 VanDerWaalsContact OD2-N 3.11Å; D249-T252 WeakPolarHBondContact CB-OG1 3.36Å; D249-T252 VanDerWaalsContact CG-OG1 3.31Å; D249-T252 WeakPolarHBondContact OD2-CB 3.13Å; D249-T252 PolarHBondContact OD2-N 3.18Å; D249-T252 PolarHBondContact OD2-OG1 2.92Å; D249-G253 VanDerWaalsContact O-CA 3.24Å; D249-G253 WeakPolarHBondContact O-CA 3.49Å; D249-G253 PolarHBondContact O-N 3.41Å; D249-E254 HydrophobicContact CB-CB 3.95Å; D249-E254 PolarHBondContact N-O 3.03Å; D249-Y437 HydrophobicContact CB-CD2 3.91Å; D249-Y437 HydrophobicContact CB-CE2 3.76Å; D249-F439 HydrophobicContact CB-CZ 4.36Å; D249-F439 WeakPolarHBondContact OD2-CE2 3.33Å; D249-N440 PolarHBondContact OD1-ND2 2.85Å
250	L	90.9	Very high	89.3	Confident	165 Å²	165	59.9 Å²	59.9	86%	0.864	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.7	-23.8	-173.4	-62.2	177.5	0	0	0	113.2	T248	T248-L250 PolarHBondContact O-N 2.89Å
251	Y	86.9	Confident	90.6	Very high	199 Å²	199	54 Å²	54	78%	0.78	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.3	-38.1	-176.1	-61.9	-74	0	0	0	112.6	D249	D249-Y251 VanDerWaalsContact C-N 3.28Å; D249-Y251 PolarHBondContact O-N 3.29Å; D249-Y251 PolarHBondContact OD2-N 2.94Å; D249-Y251 VanDerWaalsContact OD2-N 3.11Å
252	T	88.1	Confident	92	Very high	18 Å²	18	58.6 Å²	58.6	11%	0.11	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	-110.9	-14.9	-172.6	58.3	0	0	0	0	113.8	D249 E254 F439 H475	D249-T252 WeakPolarHBondContact CB-OG1 3.36Å; D249-T252 VanDerWaalsContact CG-OG1 3.31Å; D249-T252 WeakPolarHBondContact OD2-CB 3.13Å; D249-T252 PolarHBondContact OD2-N 3.18Å; D249-T252 PolarHBondContact OD2-OG1 2.92Å; T252-E254 PolarHBondContact O-N 3.15Å; T252-E254 WeakPolarHBondContact OG1-CB 3.33Å; T252-E254 PolarHBondContact OG1-N 3.12Å; T252-F439 HydrophobicContact CG2-CD1 4.46Å; T252-F439 HydrophobicContact CG2-CD2 3.45Å; T252-F439 VanDerWaalsContact CG2-CD2 3.45Å; T252-F439 HydrophobicContact CG2-CE1 4.28Å; T252-F439 HydrophobicContact CG2-CE2 3.29Å; T252-F439 HydrophobicContact CG2-CG 4.08Å; T252-F439 HydrophobicContact CG2-CZ 3.74Å; T252-F439 VanDerWaalsContact OG1-CE2 3.25Å; T252-F439 WeakPolarHBondContact OG1-CE2 3.44Å; T252-F439 WeakPolarHBondContact OG1-CZ 3.35Å; T252-H475 HydrophobicContact CG2-CB 4.29Å; T252-H475 PolarHBondContact O-CE1 3.28Å; T252-H475 VanDerWaalsContact O-CE1 3.24Å
253	G	90.8	Very high	92.9	Very high	4 Å²	4	60.1 Å²	60.1	4%	0.041	29%	0.29	C	S	.	.			trans	72.3	16.4	-172.4	0	0	0	0	0	113.3	T248 D249 P255	T248-G253 WeakPolarHBondContact CG2-O 3.4Å; D249-G253 VanDerWaalsContact O-CA 3.24Å; D249-G253 WeakPolarHBondContact O-CA 3.49Å; D249-G253 PolarHBondContact O-N 3.41Å; G253-P255 VanDerWaalsContact O-CD 3.3Å; G253-P255 WeakPolarHBondContact O-CD 3.28Å
254	E	91.4	Very high	93.3	Very high	0 Å²	0	56.6 Å²	56.6	0%	0	27%	0.265	C	S	.	.			trans	-67.3	115.5	-179.4	-178.2	63.6	-166.1	0	0	110.6	M235 T248 D249 T252 Y437 F439 R471 R472 H475	M235-E254 WeakPolarHBondContact CE-OE1 3.48Å; T248-E254 WeakPolarHBondContact CA-O 3.45Å; D249-E254 HydrophobicContact CB-CB 3.95Å; D249-E254 PolarHBondContact N-O 3.03Å; T252-E254 PolarHBondContact O-N 3.15Å; T252-E254 WeakPolarHBondContact OG1-CB 3.33Å; T252-E254 PolarHBondContact OG1-N 3.12Å; E254-Y437 HydrophobicContact CB-CE2 4.44Å; E254-Y437 HydrophobicContact CG-CE1 4.17Å; E254-Y437 HydrophobicContact CG-CE2 4.38Å; E254-F439 HydrophobicContact CB-CE1 4.37Å; E254-F439 HydrophobicContact CB-CZ 4.06Å; E254-R471 IonicContact OE1-NH2 3.86Å; E254-R471 IonicContact OE2-CZ 2.71Å; E254-R471 IonicContact OE2-NE 2.74Å; E254-R471 PolarHBondContact OE2-NE 2.83Å; E254-R471 IonicContact OE2-NH2 3.48Å; E254-R472 VanDerWaalsContact CD-CZ 3.5Å; E254-R472 VanDerWaalsContact CG-CZ 3.46Å; E254-R472 IonicContact OE1-CZ 2.72Å; E254-R472 VanDerWaalsContact OE1-CZ 3.23Å; E254-R472 IonicContact OE1-NE 2.59Å; E254-R472 PolarHBondContact OE1-NE 2.79Å; E254-R472 IonicContact OE1-NH2 3.56Å; E254-R472 PolarHBondContact OE1-NH2 2.89Å; E254-H475 IonicContact OE2-CD2 2.68Å; E254-H475 IonicContact OE2-NE2 3.5Å
255	P	91.9	Very high	93.4	Very high	0 Å²	0	55.5 Å²	55.5	0%	0	27%	0.267	C	S	.	.			trans	-78.8	139.6	-165.3	28.5	-34.2	0	0	0	113.1	L70 M235 G253 Y257	L70-P255 HydrophobicContact CD1-CG 4.25Å; L70-P255 HydrophobicContact CD2-CG 3.5Å; L70-P255 HydrophobicContact CG-CB 4.37Å; L70-P255 HydrophobicContact CG-CG 3.7Å; M235-P255 HydrophobicContact CG-CG 3.99Å; M235-P255 HydrophobicContact SD-CG 4.4Å; G253-P255 VanDerWaalsContact O-CD 3.3Å; G253-P255 WeakPolarHBondContact O-CD 3.28Å; P255-Y257 HydrophobicContact CB-CD2 4.48Å; P255-Y257 HydrophobicContact CB-CE2 3.58Å
256	W	93.7	Very high	93.5	Very high	1 Å²	1	57.3 Å²	57.3	0%	0.004	28%	0.278	C	S	.	.			trans	-152.3	127.7	167	-170.4	-101.8	0	0	0	110.2	F218 C233 M235 Y247 R269 H272 P423 P424	F218-W256 HydrophobicContact CB-CH2 4.06Å; F218-W256 HydrophobicContact CB-CZ2 4.06Å; F218-W256 AromaticContact CD2-CH2 3.74Å; F218-W256 HydrophobicContact CD2-CH2 3.74Å; F218-W256 HydrophobicContact CE2-CH2 4.41Å; F218-W256 AromaticContact CG-CH2 3.85Å; F218-W256 HydrophobicContact CG-CH2 3.85Å; F218-W256 HydrophobicContact CG-CZ2 4.32Å; C233-W256 HydrophobicContact CB-CZ2 3.9Å; M235-W256 HydrophobicContact CB-CE3 4.27Å; M235-W256 HydrophobicContact CB-CZ3 4.24Å; Y247-W256 CarbonylContact C-O 3.54Å; Y247-W256 WeakPolarHBondContact CA-O 3.37Å; Y247-W256 PolarHBondContact N-O 2.86Å; W256-R269 VanDerWaalsContact NE1-NH2 3.16Å; W256-H272 AromaticContact CH2-CE1 3.68Å; W256-H272 AromaticContact CH2-ND1 3.93Å; W256-H272 AromaticContact CZ2-CE1 3.49Å; W256-H272 VanDerWaalsContact CZ2-CE1 3.49Å; W256-H272 WeakPolarHBondContact CZ2-CE1 3.37Å; W256-H272 AromaticContact CZ2-ND1 3.26Å; W256-H272 VanDerWaalsContact CZ2-ND1 3.26Å; W256-H272 WeakPolarHBondContact CZ2-ND1 3.31Å; W256-P423 HydrophobicContact CD2-CB 3.69Å; W256-P423 HydrophobicContact CD2-CG 3.68Å; W256-P423 HydrophobicContact CE3-CB 3.67Å; W256-P423 HydrophobicContact CE3-CG 3.96Å; W256-P423 HydrophobicContact CG-CB 4.46Å; W256-P423 HydrophobicContact CG-CG 3.94Å; W256-P423 HydrophobicContact CH2-CB 3.76Å; W256-P423 HydrophobicContact CZ2-CB 3.78Å; W256-P423 HydrophobicContact CZ3-CB 3.71Å; W256-P423 HydrophobicContact CZ3-CG 4.5Å; W256-P424 HydrophobicContact CH2-CB 4.27Å; W256-P424 HydrophobicContact CZ3-CB 4.07Å
257	Y	93.7	Very high	93.6	Very high	55 Å²	55	59.4 Å²	59.4	22%	0.216	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	155	-175.3	-52.6	-83.1	0	0	0	111.7	C233 N234 M235 L237 C245 N246 P255	C233-Y257 CarbonylContact C-O 3.55Å; C233-Y257 WeakPolarHBondContact CA-O 3.15Å; C233-Y257 WeakPolarHBondContact CB-O 3.39Å; N234-Y257 PolarHBondContact N-O 3.15Å; N234-Y257 PolarHBondContact O-N 2.78Å; N234-Y257 VanDerWaalsContact O-N 3.1Å; N234-Y257 VanDerWaalsContact O-O 3.08Å; M235-Y257 VanDerWaalsContact O-CD2 3.24Å; M235-Y257 WeakPolarHBondContact O-CD2 3.45Å; L237-Y257 WeakPolarHBondContact CD1-O 3.47Å; C245-Y257 WeakPolarHBondContact O-CA 3.48Å; N246-Y257 HydrophobicContact CB-CD1 4.13Å; N246-Y257 HydrophobicContact CB-CE1 4.11Å; N246-Y257 WeakPolarHBondContact OD1-CE1 3.34Å; P255-Y257 HydrophobicContact CB-CD2 4.48Å; P255-Y257 HydrophobicContact CB-CE2 3.58Å
258	C	95.3	Very high	93.7	Very high	0 Å²	0	57.5 Å²	57.5	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	150.6	166.2	-56.8	0	0	0	0	109.8	F222 V232 C233 L244 C245 Y247 K260	F222-C258 HydrophobicContact CE2-CB 4.47Å; F222-C258 HydrophobicContact CZ-CB 4.13Å; V232-C258 CarbonylContact O-C 3.6Å; V232-C258 VanDerWaalsContact O-CA 3.31Å; V232-C258 WeakPolarHBondContact O-CA 3.47Å; C233-C258 HydrophobicContact CB-CB 4.01Å; C233-C258 WeakPolarHBondContact CB-SG 3.06Å; C233-C258 WeakPolarHBondContact SG-CB 3.47Å; C233-C258 CovalentContact SG-SG 2.03Å; C233-C258 PolarHBondContact SG-SG 3.12Å; L244-C258 CarbonylContact C-O 3.58Å; L244-C258 WeakPolarHBondContact CA-O 3.39Å; C245-C258 HydrophobicContact CB-CB 4.48Å; C245-C258 PolarHBondContact N-O 3.33Å; C245-C258 PolarHBondContact O-N 3.49Å; C245-C258 VanDerWaalsContact O-N 3.08Å; Y247-C258 HydrophobicContact CE2-CB 3.99Å; C258-K260 PolarHBondContact O-N 3.29Å
259	Y	95.3	Very high	93.9	Very high	36 Å²	36	57.4 Å²	57.4	14%	0.141	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61	136.4	164.9	-66.7	-51.8	0	0	0	109.7	T231 V232 L237 H242 L244	T231-Y259 WeakPolarHBondContact CB-O 3.47Å; T231-Y259 PolarHBondContact OG1-O 3.26Å; V232-Y259 HydrophobicContact CB-CD2 3.86Å; V232-Y259 HydrophobicContact CB-CE2 4.14Å; V232-Y259 PolarHBondContact O-N 2.95Å; L237-Y259 HydrophobicContact CD2-CE2 4.17Å; H242-Y259 HydrophobicContact CB-CD1 3.41Å; H242-Y259 VanDerWaalsContact CB-CD1 3.41Å; H242-Y259 HydrophobicContact CB-CE1 3.71Å; H242-Y259 HydrophobicContact CB-CG 4.27Å; H242-Y259 AromaticContact CD2-CE1 3.81Å; L244-Y259 HydrophobicContact CD2-CD1 3.41Å; L244-Y259 VanDerWaalsContact CD2-CD1 3.41Å; L244-Y259 HydrophobicContact CD2-CE1 3.73Å; L244-Y259 HydrophobicContact CD2-CG 4.44Å
260	K	95.7	Very high	94.1	Very high	105 Å²	105	59.6 Å²	59.6	46%	0.457	29%	0.291	S	S	.	.	P	Polyproline II helix	trans	-65.3	131.2	177.6	-170.8	-178.6	173.7	178.7	0	109.6	S243 C258	S243-K260 VanDerWaalsContact O-CB 3.25Å; S243-K260 WeakPolarHBondContact O-CB 3.23Å; S243-K260 PolarHBondContact O-N 2.82Å; S243-K260 WeakPolarHBondContact OG-CB 3.37Å; C258-K260 PolarHBondContact O-N 3.29Å
261	P	95.9	Very high	94.4	Very high	6 Å²	6	52.8 Å²	52.8	4%	0.039	26%	0.255	C	S	.	.	P	Polyproline II helix	trans	-56.9	154.8	169.7	-21.3	32.1	0	0	0	111.7	F222 E229 T231 L264	F222-P261 HydrophobicContact CB-CG 3.79Å; F222-P261 HydrophobicContact CD1-CG 3.56Å; F222-P261 HydrophobicContact CD2-CG 3.6Å; F222-P261 HydrophobicContact CE1-CG 3.97Å; F222-P261 HydrophobicContact CE2-CG 4.04Å; F222-P261 HydrophobicContact CG-CG 3.35Å; F222-P261 HydrophobicContact CZ-CG 4.2Å; E229-P261 HydrophobicContact CB-CB 3.99Å; E229-P261 HydrophobicContact CG-CB 4.41Å; E229-P261 VanDerWaalsContact OE1-CB 3.3Å; E229-P261 WeakPolarHBondContact OE1-CB 3.47Å; T231-P261 HydrophobicContact CG2-CB 4.22Å; T231-P261 HydrophobicContact CG2-CG 4.04Å; P261-L264 HydrophobicContact CB-CB 3.83Å; P261-L264 HydrophobicContact CG-CB 4.17Å
262	K	94.3	Very high	94.8	Very high	202 Å²	202	43.4 Å²	43.4	88%	0.878	22%	0.218	S	C	*	.	S	Bend	trans	-72.9	-36.2	-177.1	-67	-176.8	179.4	-179.2	0	111.7	E229	E229-K262 PolarHBondContact OE1-N 2.8Å; E229-K262 PolarHBondContact OE2-N 3.25Å
263	I	94.6	Very high	95.1	Very high	131 Å²	131	43.3 Å²	43.3	67%	0.672	22%	0.22	S	C	*	.	S	Bend	trans	-110.4	-39	-173.4	-52.5	174	0	0	0	110.2	L227 E229	L227-I263 HydrophobicContact CD1-CG2 4.42Å; E229-I263 WeakPolarHBondContact OE1-CA 3.44Å; E229-I263 VanDerWaalsContact OE1-CB 3.29Å; E229-I263 WeakPolarHBondContact OE1-CB 3.35Å; E229-I263 PolarHBondContact OE1-N 2.87Å
264	L	97.2	Very high	95.3	Very high	7 Å²	7	46.8 Å²	46.8	4%	0.037	23%	0.234	C	C	.	.	S	Bend	trans	-87.5	151.4	-174.3	-62.8	176.4	0	0	0	114.4	F222 L224 L227 E229 P261	F222-L264 HydrophobicContact CB-CB 4.31Å; F222-L264 HydrophobicContact CB-CD1 3.79Å; F222-L264 WeakPolarHBondContact O-CD1 3.4Å; L224-L264 HydrophobicContact CB-CD2 3.61Å; L227-L264 HydrophobicContact CB-CD2 3.91Å; L227-L264 HydrophobicContact CD1-CD2 4.34Å; E229-L264 HydrophobicContact CB-CD1 4.2Å; E229-L264 HydrophobicContact CG-CD1 4.25Å; E229-L264 PolarHBondContact OE1-N 3.01Å; P261-L264 HydrophobicContact CB-CB 3.83Å; P261-L264 HydrophobicContact CG-CB 4.17Å
265	G	96.2	Very high	95.3	Very high	28 Å²	28	47.9 Å²	47.9	29%	0.289	25%	0.245	S	C	.	.			trans	-76.4	158.6	172.3	0	0	0	0	0	113.3	D267 T268	G265-D267 VanDerWaalsContact C-N 3.26Å; G265-D267 WeakPolarHBondContact CA-OD1 3.08Å; G265-D267 PolarHBondContact O-N 3.23Å; G265-T268 PolarHBondContact O-N 2.85Å; G265-T268 PolarHBondContact O-OG1 3.27Å
266	C	96.8	Very high	95.3	Very high	38 Å²	38	48.7 Å²	48.7	26%	0.257	25%	0.253	S	S	.	.	G	3₁₀ helix	trans	-66.4	-27.5	180	-65.6	0	0	0	0	113.4	C245 Y247 T268	C245-C266 WeakPolarHBondContact CA-SG 3.44Å; C245-C266 HydrophobicContact CB-CB 3.6Å; C245-C266 WeakPolarHBondContact CB-SG 3.29Å; C245-C266 WeakPolarHBondContact SG-CA 3.17Å; C245-C266 WeakPolarHBondContact SG-CB 3.1Å; C245-C266 CovalentContact SG-SG 2.03Å; C245-C266 PolarHBondContact SG-SG 3.46Å; Y247-C266 PolarHBondContact OH-O 3.16Å; C266-T268 PolarHBondContact O-N 3.18Å
267	D	95.9	Very high	95.3	Very high	147 Å²	147	51.6 Å²	51.6	79%	0.786	27%	0.265	S	S	*	.	G	3₁₀ helix	trans	-67.8	-15.1	176.2	60.5	-38.3	0	0	0	113.4	G265 R269	G265-D267 VanDerWaalsContact C-N 3.26Å; G265-D267 WeakPolarHBondContact CA-OD1 3.08Å; G265-D267 PolarHBondContact O-N 3.23Å; D267-R269 PolarHBondContact O-N 3.34Å
268	T	97.3	Very high	95.3	Very high	14 Å²	14	50.8 Å²	50.8	9%	0.086	26%	0.264	C	S	.	.	G	3₁₀ helix	trans	-84.3	11.4	179.8	70.7	0	0	0	0	113.9	F222 R223 L224 G265 C266 I270	F222-T268 CarbonylContact C-O 3.52Å; F222-T268 VanDerWaalsContact CA-O 3.28Å; F222-T268 WeakPolarHBondContact CA-O 3.26Å; R223-T268 PolarHBondContact N-O 3.19Å; R223-T268 WeakPolarHBondContact O-CB 3.19Å; L224-T268 HydrophobicContact CB-CG2 4.09Å; L224-T268 HydrophobicContact CD1-CG2 4.5Å; G265-T268 PolarHBondContact O-N 2.85Å; G265-T268 PolarHBondContact O-OG1 3.27Å; C266-T268 PolarHBondContact O-N 3.18Å; T268-I270 PolarHBondContact O-N 3.08Å
269	R	97.6	Very high	95.1	Very high	31 Å²	31	56.1 Å²	56.1	12%	0.117	29%	0.287	C	S	.	.	B	Isolated β-bridge	trans	-68.8	120.5	-177.2	-174	-171.1	170.3	-163	-2.4	112.2	S220 F222 Y247 W256 D267 N271 S432	S220-R269 PolarHBondContact OG-NE 3.33Å; F222-R269 HydrophobicContact CD1-CB 3.98Å; F222-R269 HydrophobicContact CE1-CB 3.65Å; F222-R269 HydrophobicContact CE1-CG 4.15Å; F222-R269 HydrophobicContact CZ-CB 4.16Å; F222-R269 HydrophobicContact CZ-CG 4.14Å; Y247-R269 HydrophobicContact CE1-CB 4.38Å; Y247-R269 VanDerWaalsContact CG-NH1 3.31Å; Y247-R269 VanDerWaalsContact CZ-CD 3.46Å; W256-R269 VanDerWaalsContact NE1-NH2 3.16Å; D267-R269 PolarHBondContact O-N 3.34Å; R269-N271 PolarHBondContact NE-O 3.14Å; R269-S432 PolarHBondContact O-OG 3.16Å
270	I	96.8	Very high	94.8	Very high	64 Å²	64	63.1 Å²	63.1	33%	0.328	32%	0.321	S	S	.	.			trans	-92	-40.8	-176.6	-58.1	-56	0	0	0	113.4	L221 R223 T268 L431 S432	L221-I270 HydrophobicContact CB-CB 4.41Å; L221-I270 HydrophobicContact CD2-CB 4.45Å; L221-I270 HydrophobicContact CD2-CG2 4.49Å; L221-I270 HydrophobicContact CG-CB 4.44Å; L221-I270 HydrophobicContact CG-CG1 4.47Å; L221-I270 WeakPolarHBondContact O-CB 3.05Å; L221-I270 PolarHBondContact O-N 2.73Å; R223-I270 HydrophobicContact CB-CD1 4.06Å; R223-I270 HydrophobicContact CB-CG1 3.7Å; T268-I270 PolarHBondContact O-N 3.08Å; I270-L431 HydrophobicContact CG2-CD2 4.45Å; I270-S432 PolarHBondContact O-N 3.31Å; I270-S432 PolarHBondContact O-OG 2.85Å
271	N	96.1	Very high	94.7	Very high	23 Å²	23	59.2 Å²	59.2	12%	0.123	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.9	179.3	-167.8	64.5	25.3	0	0	0	114.1	S220 L221 R269 T429 V430 S432	S220-N271 WeakPolarHBondContact CB-O 3.26Å; S220-N271 PolarHBondContact OG-O 3.3Å; L221-N271 WeakPolarHBondContact CB-OD1 3.39Å; L221-N271 PolarHBondContact N-OD1 3.47Å; R269-N271 PolarHBondContact NE-O 3.14Å; N271-T429 HydrophobicContact CB-CG2 3.67Å; N271-T429 WeakPolarHBondContact ND2-CG2 3.34Å; N271-V430 CarbonylContact C-O 3.55Å; N271-V430 VanDerWaalsContact CA-O 3.23Å; N271-V430 WeakPolarHBondContact CA-O 3.34Å; N271-V430 VanDerWaalsContact CB-O 3.26Å; N271-V430 WeakPolarHBondContact CB-O 3.45Å; N271-S432 PolarHBondContact N-OG 2.57Å
272	H	96.1	Very high	94.5	Very high	1 Å²	1	60.7 Å²	60.7	1%	0.005	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	133.1	163.8	166.4	93	0	0	0	108.2	F218 W256 I425 T429 V430 L435	F218-H272 AromaticContact CD1-CE1 3.3Å; F218-H272 WeakPolarHBondContact CD1-CE1 3.26Å; F218-H272 AromaticContact CD1-NE2 3.52Å; F218-H272 AromaticContact CG-CE1 3.63Å; W256-H272 AromaticContact CH2-CE1 3.68Å; W256-H272 AromaticContact CH2-ND1 3.93Å; W256-H272 AromaticContact CZ2-CE1 3.49Å; W256-H272 VanDerWaalsContact CZ2-CE1 3.49Å; W256-H272 WeakPolarHBondContact CZ2-CE1 3.37Å; W256-H272 AromaticContact CZ2-ND1 3.26Å; W256-H272 VanDerWaalsContact CZ2-ND1 3.26Å; W256-H272 WeakPolarHBondContact CZ2-ND1 3.31Å; H272-I425 PolarHBondContact NE2-N 3.2Å; H272-I425 PolarHBondContact NE2-O 3.11Å; H272-T429 CarbonylContact O-C 3.55Å; H272-T429 WeakPolarHBondContact O-CA 3.24Å; H272-T429 WeakPolarHBondContact O-CG2 3.35Å; H272-V430 PolarHBondContact N-O 2.83Å; H272-V430 PolarHBondContact O-N 2.73Å; H272-L435 HydrophobicContact CB-CD1 3.6Å; H272-L435 HydrophobicContact CB-CD2 3.8Å; H272-L435 HydrophobicContact CB-CG 4.25Å
273	A	95.6	Very high	94.4	Very high	17 Å²	17	54.9 Å²	54.9	14%	0.14	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	148.5	174.8	0	0	0	0	0	110.7	F218 K219 G275 T429	F218-A273 CarbonylContact C-O 3.51Å; F218-A273 VanDerWaalsContact CA-O 3.31Å; F218-A273 WeakPolarHBondContact CA-O 3.31Å; F218-A273 WeakPolarHBondContact CB-O 3.2Å; K219-A273 PolarHBondContact N-O 2.83Å; K219-A273 PolarHBondContact O-N 3.42Å; A273-G275 PolarHBondContact O-N 3.05Å; A273-T429 HydrophobicContact CB-CG2 4.24Å
274	K	94.8	Very high	94.2	Very high	77 Å²	77	55.8 Å²	55.8	34%	0.335	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.5	120.4	163.8	179.1	179.1	62.8	-165.9	0	108.5	Y277 R426	K274-Y277 HydrophobicContact CD-CE2 3.99Å; K274-R426 HydrophobicContact CD-CB 4.45Å; K274-R426 WeakPolarHBondContact CD-O 3.34Å; K274-R426 WeakPolarHBondContact CE-O 3.23Å; K274-R426 PolarHBondContact NZ-O 3.46Å
275	G	90.9	Very high	93.9	Very high	22 Å²	22	62.5 Å²	62.5	23%	0.227	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	-29.8	178.9	0	0	0	0	0	112.9	F217 A273	F217-G275 VanDerWaalsContact CZ-C 3.47Å; F217-G275 VanDerWaalsContact CZ-O 3.29Å; F217-G275 WeakPolarHBondContact CZ-O 3.34Å; F217-G275 VanDerWaalsContact O-CA 3.26Å; F217-G275 WeakPolarHBondContact O-CA 3.32Å; F217-G275 PolarHBondContact O-N 3.44Å; A273-G275 PolarHBondContact O-N 3.05Å
276	G	92.6	Very high	93.7	Very high	18 Å²	18	63.7 Å²	63.7	19%	0.186	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	145.7	-166.8	174.8	0	0	0	0	0	113	F217	F217-G276 PolarHBondContact N-O 3.32Å; F217-G276 PolarHBondContact O-N 3.24Å
277	Y	93.5	Very high	93.6	Very high	61 Å²	61	64 Å²	64	24%	0.239	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	124.9	178	-64.5	-69.3	0	0	0	109.2	R215 V216 K274 K279 Y509	R215-Y277 CarbonylContact O-C 3.5Å; R215-Y277 WeakPolarHBondContact O-CA 3.4Å; V216-Y277 HydrophobicContact CG1-CD1 4.33Å; V216-Y277 HydrophobicContact CG1-CE1 4.06Å; V216-Y277 HydrophobicContact CG2-CD1 3.83Å; V216-Y277 HydrophobicContact CG2-CE1 3.79Å; K274-Y277 HydrophobicContact CD-CE2 3.99Å; Y277-K279 PolarHBondContact O-N 2.71Å; Y277-Y509 AromaticContact CD1-CD1 3.41Å; Y277-Y509 HydrophobicContact CD1-CD1 3.41Å; Y277-Y509 VanDerWaalsContact CD1-CD1 3.41Å; Y277-Y509 HydrophobicContact CD1-CD2 4.15Å; Y277-Y509 AromaticContact CD1-CE1 3.55Å; Y277-Y509 HydrophobicContact CD1-CE1 3.55Å; Y277-Y509 HydrophobicContact CD1-CE2 4.29Å; Y277-Y509 AromaticContact CD1-CG 3.74Å; Y277-Y509 HydrophobicContact CD1-CG 3.74Å; Y277-Y509 AromaticContact CE1-CD1 3.94Å; Y277-Y509 HydrophobicContact CE1-CD1 3.94Å; Y277-Y509 HydrophobicContact CE1-CE1 4.5Å; Y277-Y509 AromaticContact CE1-CG 3.98Å; Y277-Y509 HydrophobicContact CE1-CG 3.98Å; Y277-Y509 HydrophobicContact CG-CD1 4.31Å; Y277-Y509 HydrophobicContact CG-CD2 4.5Å; Y277-Y509 HydrophobicContact CG-CE1 4.1Å; Y277-Y509 HydrophobicContact CG-CE2 4.32Å
278	L	92.8	Very high	93.5	Very high	38 Å²	38	60.1 Å²	60.1	20%	0.199	31%	0.311	C	S	.	.			trans	-71	123.9	178	-63.8	-174.1	0	0	0	110.5	D214 R215 F217 L281 Y509	D214-L278 WeakPolarHBondContact OD2-CD1 3.35Å; R215-L278 HydrophobicContact CB-CB 4.45Å; R215-L278 PolarHBondContact O-N 3.03Å; F217-L278 HydrophobicContact CD1-CD2 3.97Å; F217-L278 HydrophobicContact CD1-CG 4.26Å; F217-L278 HydrophobicContact CE1-CD2 3.82Å; F217-L278 HydrophobicContact CE1-CG 4.48Å; L278-L281 HydrophobicContact CB-CD2 4.16Å; L278-L281 VanDerWaalsContact O-CG 3.31Å; L278-L281 WeakPolarHBondContact O-CG 3.42Å; L278-Y509 PolarHBondContact O-OH 2.8Å
279	K	91.1	Very high	93.4	Very high	113 Å²	113	60.2 Å²	60.2	49%	0.491	31%	0.311	S	S	.	.			trans	-86.3	172	179.2	-55.4	-61.2	-173.8	166.6	0	111.5	Y277 L281 E505	Y277-K279 PolarHBondContact O-N 2.71Å; K279-L281 PolarHBondContact O-N 3.46Å; K279-E505 IonicContact NZ-OE1 2.71Å; K279-E505 PolarHBondContact NZ-OE1 3.04Å; K279-E505 IonicContact NZ-OE2 3.16Å; K279-E505 PolarHBondContact NZ-OE2 3.16Å
280	H	89.6	Confident	93.4	Very high	183 Å²	183	59 Å²	59	85%	0.847	31%	0.306	S	S	*	.			trans	58.8	42.7	176.9	-49.1	-69.9	0	0	0	113.9	L282	H280-L282 VanDerWaalsContact C-N 3.3Å
281	L	92.4	Very high	93.3	Very high	22 Å²	22	59 Å²	59	12%	0.115	31%	0.305	C	S	.	.			trans	-76.4	-19.2	178.3	-60.6	173.9	0	0	0	113.5	L208 R215 L278 K279 L508 Y509	L208-L281 HydrophobicContact CD2-CB 4.11Å; R215-L281 HydrophobicContact CB-CD1 3.89Å; R215-L281 HydrophobicContact CB-CD2 3.97Å; R215-L281 HydrophobicContact CG-CD1 4.31Å; L278-L281 HydrophobicContact CB-CD2 4.16Å; L278-L281 VanDerWaalsContact O-CG 3.31Å; L278-L281 WeakPolarHBondContact O-CG 3.42Å; K279-L281 PolarHBondContact O-N 3.46Å; L281-L508 HydrophobicContact CD1-CD1 4.45Å; L281-Y509 HydrophobicContact CD1-CE1 4.09Å
282	L	92.9	Very high	93.3	Very high	37 Å²	37	61.2 Å²	61.2	19%	0.194	32%	0.322	C	S	.	.	S	Bend	trans	-109.9	145.3	-174.2	-57.5	-175.5	0	0	0	110.6	V204 L208 H280 E286 A287 F290 L508	V204-L282 HydrophobicContact CG1-CD2 3.58Å; L208-L282 HydrophobicContact CD1-CD2 3.99Å; H280-L282 VanDerWaalsContact C-N 3.3Å; L282-E286 HydrophobicContact CB-CB 4.08Å; L282-E286 HydrophobicContact CD2-CB 4.18Å; L282-A287 HydrophobicContact CB-CB 4.41Å; L282-A287 HydrophobicContact CD1-CB 4.31Å; L282-F290 HydrophobicContact CD1-CD2 3.57Å; L282-F290 HydrophobicContact CD1-CE2 4.03Å; L282-F290 HydrophobicContact CD1-CG 4.42Å; L282-F290 HydrophobicContact CD2-CE2 4.35Å; L282-L508 HydrophobicContact CD1-CD1 3.98Å; L282-L508 HydrophobicContact CD1-CD2 4.01Å; L282-L508 HydrophobicContact CD2-CD1 4.5Å; L282-L508 HydrophobicContact CD2-CD2 4.03Å; L282-L508 HydrophobicContact CG-CD1 4Å; L282-L508 HydrophobicContact CG-CD2 4.26Å
283	T	91.8	Very high	93.1	Very high	80 Å²	80	64.5 Å²	64.5	49%	0.491	36%	0.357	S	S	.	.			trans	-67.2	161.5	160.2	64.7	0	0	0	0	110.7	K285 E286 A287	T283-K285 PolarHBondContact O-N 2.92Å; T283-K285 VanDerWaalsContact O-N 3.13Å; T283-E286 WeakPolarHBondContact CB-OE2 3.22Å; T283-E286 WeakPolarHBondContact CG2-OE2 2.99Å; T283-E286 PolarHBondContact N-OE2 2.91Å; T283-E286 PolarHBondContact O-N 3.1Å; T283-E286 VanDerWaalsContact O-N 3.16Å; T283-E286 VanDerWaalsContact OG1-CD 3.3Å; T283-E286 VanDerWaalsContact OG1-CG 3.29Å; T283-E286 WeakPolarHBondContact OG1-CG 3.27Å; T283-E286 PolarHBondContact OG1-N 2.82Å; T283-E286 PolarHBondContact OG1-OE2 2.87Å; T283-A287 PolarHBondContact O-N 3.29Å
284	N	90.5	Very high	93.1	Very high	150 Å²	150	66.4 Å²	66.4	80%	0.802	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.6	-30.4	176.3	-67.9	-14.5	0	0	0	113
285	K	89.9	Confident	93.1	Very high	149 Å²	149	63 Å²	63	65%	0.648	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.4	-44.6	177.8	-70	-177.7	179	179	0	111.7	T283 A287 L288	T283-K285 PolarHBondContact O-N 2.92Å; T283-K285 VanDerWaalsContact O-N 3.13Å; K285-A287 VanDerWaalsContact C-N 3.31Å; K285-A287 PolarHBondContact O-N 3.08Å; K285-L288 WeakPolarHBondContact O-CB 3.43Å; K285-L288 PolarHBondContact O-N 3.31Å
286	E	93.1	Very high	93.4	Very high	53 Å²	53	62.2 Å²	62.2	25%	0.248	34%	0.342	C	S	.	.	G	3₁₀ helix	trans	-66.4	-34.1	178.5	-68.5	162.6	141.3	0	0	111.9	V204 L282 T283 L288 L289 F290	V204-E286 HydrophobicContact CG2-CB 4.34Å; V204-E286 HydrophobicContact CG2-CG 3.85Å; L282-E286 HydrophobicContact CB-CB 4.08Å; L282-E286 HydrophobicContact CD2-CB 4.18Å; T283-E286 WeakPolarHBondContact CB-OE2 3.22Å; T283-E286 WeakPolarHBondContact CG2-OE2 2.99Å; T283-E286 PolarHBondContact N-OE2 2.91Å; T283-E286 PolarHBondContact O-N 3.1Å; T283-E286 VanDerWaalsContact O-N 3.16Å; T283-E286 VanDerWaalsContact OG1-CD 3.3Å; T283-E286 VanDerWaalsContact OG1-CG 3.29Å; T283-E286 WeakPolarHBondContact OG1-CG 3.27Å; T283-E286 PolarHBondContact OG1-N 2.82Å; T283-E286 PolarHBondContact OG1-OE2 2.87Å; E286-L288 PolarHBondContact O-N 3.4Å; E286-L288 VanDerWaalsContact O-N 3.12Å; E286-L289 VanDerWaalsContact O-CB 3.24Å; E286-L289 WeakPolarHBondContact O-CB 3.04Å; E286-L289 PolarHBondContact O-N 3.45Å; E286-F290 WeakPolarHBondContact O-CD2 3.5Å
287	A	94.3	Very high	93.6	Very high	45 Å²	45	63.5 Å²	63.5	37%	0.372	34%	0.343	S	S	.	.	G	3₁₀ helix	trans	-57.5	-27.2	175.6	0	0	0	0	0	113.1	L282 T283 K285 L289 F290	L282-A287 HydrophobicContact CB-CB 4.41Å; L282-A287 HydrophobicContact CD1-CB 4.31Å; T283-A287 PolarHBondContact O-N 3.29Å; K285-A287 VanDerWaalsContact C-N 3.31Å; K285-A287 PolarHBondContact O-N 3.08Å; A287-L289 PolarHBondContact O-N 3.15Å; A287-F290 PolarHBondContact O-N 3.24Å
288	L	94.5	Very high	93.8	Very high	65 Å²	65	61.9 Å²	61.9	34%	0.34	34%	0.339	S	S	.	.	G	3₁₀ helix	trans	-70.1	-17.8	176.9	-56.1	172	0	0	0	113.1	L103 K285 E286 F290 N295	L103-L288 HydrophobicContact CD1-CB 3.81Å; L103-L288 HydrophobicContact CD2-CB 3.9Å; L103-L288 HydrophobicContact CD2-CD1 4.04Å; L103-L288 HydrophobicContact CD2-CG 4.46Å; L103-L288 HydrophobicContact CG-CB 4.37Å; K285-L288 WeakPolarHBondContact O-CB 3.43Å; K285-L288 PolarHBondContact O-N 3.31Å; E286-L288 PolarHBondContact O-N 3.4Å; E286-L288 VanDerWaalsContact O-N 3.12Å; L288-F290 VanDerWaalsContact C-N 3.25Å; L288-F290 PolarHBondContact O-N 3.15Å; L288-N295 PolarHBondContact O-ND2 3.44Å
289	L	95.1	Very high	94	Very high	15 Å²	15	64.9 Å²	64.9	8%	0.079	35%	0.352	C	S	.	.	G	3₁₀ helix	trans	-79	-8	175.4	-59.7	170.9	0	0	0	113.1	L103 T106 E200 A201 V204 E286 A287 N295	L103-L289 HydrophobicContact CD1-CD2 4.24Å; T106-L289 HydrophobicContact CG2-CD2 3.77Å; E200-L289 HydrophobicContact CB-CD1 4.14Å; E200-L289 HydrophobicContact CB-CD2 4.06Å; A201-L289 HydrophobicContact CB-CB 4Å; V204-L289 HydrophobicContact CG2-CD1 3.96Å; E286-L289 VanDerWaalsContact O-CB 3.24Å; E286-L289 WeakPolarHBondContact O-CB 3.04Å; E286-L289 PolarHBondContact O-N 3.45Å; A287-L289 PolarHBondContact O-N 3.15Å; L289-N295 PolarHBondContact O-OD1 3.41Å
290	F	96.3	Very high	94.4	Very high	6 Å²	6	59.7 Å²	59.7	3%	0.026	33%	0.33	C	S	.	.	S	Bend	trans	-126.6	59	-174.5	-62.2	-80.3	0	0	0	110.9	A201 V204 L205 L282 E286 A287 L288 I296 A504 L508	A201-F290 HydrophobicContact CB-CE1 4.07Å; A201-F290 HydrophobicContact CB-CZ 3.95Å; V204-F290 HydrophobicContact CB-CE2 4.24Å; V204-F290 HydrophobicContact CB-CZ 4.32Å; V204-F290 HydrophobicContact CG1-CE2 3.99Å; V204-F290 HydrophobicContact CG1-CZ 4.31Å; L205-F290 HydrophobicContact CD1-CE1 4.23Å; L205-F290 HydrophobicContact CD2-CE1 3.78Å; L205-F290 HydrophobicContact CD2-CZ 3.83Å; L205-F290 HydrophobicContact CG-CE1 3.95Å; L205-F290 HydrophobicContact CG-CZ 3.89Å; L282-F290 HydrophobicContact CD1-CD2 3.57Å; L282-F290 HydrophobicContact CD1-CE2 4.03Å; L282-F290 HydrophobicContact CD1-CG 4.42Å; L282-F290 HydrophobicContact CD2-CE2 4.35Å; E286-F290 WeakPolarHBondContact O-CD2 3.5Å; A287-F290 PolarHBondContact O-N 3.24Å; L288-F290 VanDerWaalsContact C-N 3.25Å; L288-F290 PolarHBondContact O-N 3.15Å; F290-I296 HydrophobicContact CB-CD1 4.02Å; F290-A504 HydrophobicContact CB-CB 4.35Å; F290-A504 WeakPolarHBondContact O-CB 3.43Å; F290-L508 HydrophobicContact CD1-CD2 4.42Å; F290-L508 HydrophobicContact CD2-CD2 4.32Å; F290-L508 HydrophobicContact CE1-CD2 4.25Å; F290-L508 HydrophobicContact CE2-CD2 4.15Å; F290-L508 HydrophobicContact CG-CD2 4.45Å; F290-L508 HydrophobicContact CZ-CD2 4.1Å
291	Q	95.6	Very high	94.7	Very high	64 Å²	64	56.3 Å²	56.3	30%	0.299	31%	0.314	S	S	.	.			trans	-107.8	114.9	-179.6	-68	-178	-2	0	0	111.3	G293 V294 N295 I296	Q291-G293 PolarHBondContact O-N 3.1Å; Q291-V294 HydrophobicContact CB-CB 3.76Å; Q291-V294 HydrophobicContact CB-CG1 4.45Å; Q291-V294 HydrophobicContact CB-CG2 4.09Å; Q291-V294 PolarHBondContact O-N 2.77Å; Q291-V294 VanDerWaalsContact O-N 3.11Å; Q291-N295 PolarHBondContact N-OD1 2.64Å; Q291-N295 PolarHBondContact O-N 2.84Å; Q291-N295 PolarHBondContact O-OD1 2.88Å; Q291-I296 PolarHBondContact O-N 3.03Å
292	S	95.3	Very high	94.9	Very high	70 Å²	70	56.6 Å²	56.6	49%	0.49	32%	0.32	S	S	.	.	B	Isolated β-bridge	trans	-59.2	131.5	175.4	-58.6	0	0	0	0	111.2	V294	S292-V294 PolarHBondContact O-N 2.77Å
293	G	92.2	Very high	95.1	Very high	70 Å²	70	58.6 Å²	58.6	72%	0.722	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.4	0.5	-178.2	0	0	0	0	0	114.9	Q291	Q291-G293 PolarHBondContact O-N 3.1Å
294	V	95.1	Very high	95.2	Very high	57 Å²	57	57.3 Å²	57.3	35%	0.345	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	-117.7	-50.6	178.2	-178.8	0	0	0	0	111.1	P109 Q291 S292	P109-V294 WeakPolarHBondContact CG-O 3.36Å; Q291-V294 HydrophobicContact CB-CB 3.76Å; Q291-V294 HydrophobicContact CB-CG1 4.45Å; Q291-V294 HydrophobicContact CB-CG2 4.09Å; Q291-V294 PolarHBondContact O-N 2.77Å; Q291-V294 VanDerWaalsContact O-N 3.11Å; S292-V294 PolarHBondContact O-N 2.77Å
295	N	94.6	Very high	95.3	Very high	5 Å²	5	58.7 Å²	58.7	3%	0.027	34%	0.338	C	S	.	.	T	Hydrogen-bonded Turn	trans	-145.5	5.9	-177.5	54.2	30.7	0	0	0	114.9	Y140 L288 L289 Q291	Y140-N295 PolarHBondContact OH-ND2 2.77Å; L288-N295 PolarHBondContact O-ND2 3.44Å; L289-N295 PolarHBondContact O-OD1 3.41Å; Q291-N295 PolarHBondContact N-OD1 2.64Å; Q291-N295 PolarHBondContact O-N 2.84Å; Q291-N295 PolarHBondContact O-OD1 2.88Å
296	I	97.6	Very high	95.5	Very high	6 Å²	6	54 Å²	54	3%	0.031	32%	0.321	C	S	.	.	B	Isolated β-bridge	trans	-102.5	120.8	166.6	-62	174.3	0	0	0	108.8	F290 Q291 V298 L502	F290-I296 HydrophobicContact CB-CD1 4.02Å; Q291-I296 PolarHBondContact O-N 3.03Å; I296-V298 PolarHBondContact O-N 3.08Å; I296-L502 HydrophobicContact CG2-CB 3.6Å
297	K	97.1	Very high	95.7	Very high	45 Å²	45	55.4 Å²	55.4	20%	0.196	32%	0.323	C	S	.	.	S	Bend	trans	49.1	54.9	176.3	-70.1	-162.3	162.9	-165.4	0	113.2	T194 L195 V196 Q500 L502 D512 H547	T194-K297 HydrophobicContact CG2-CB 4.26Å; L195-K297 CarbonylContact O-C 3.56Å; L195-K297 WeakPolarHBondContact O-CA 2.99Å; L195-K297 PolarHBondContact O-N 3.34Å; L195-K297 VanDerWaalsContact O-N 3.12Å; V196-K297 HydrophobicContact CG1-CG 4.03Å; V196-K297 HydrophobicContact CG2-CG 4.47Å; V196-K297 PolarHBondContact O-N 3.42Å; K297-Q500 PolarHBondContact NZ-O 2.65Å; K297-L502 HydrophobicContact CD-CB 4.2Å; K297-L502 HydrophobicContact CD-CD1 4.15Å; K297-L502 HydrophobicContact CD-CG 4.12Å; K297-L502 HydrophobicContact CG-CB 4.39Å; K297-L502 HydrophobicContact CG-CD1 4.12Å; K297-D512 WeakPolarHBondContact CE-OD2 3.32Å; K297-D512 IonicContact NZ-OD2 3.21Å; K297-D512 PolarHBondContact NZ-OD2 3.15Å; K297-H547 PolarHBondContact NZ-ND1 3.04Å; K297-H547 VanDerWaalsContact NZ-ND1 3.16Å
298	V	97.9	Very high	95.7	Very high	27 Å²	27	54.1 Å²	54.1	16%	0.164	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	133.5	178.7	-177.8	0	0	0	0	109.8	P109 T194 L195 I296	P109-V298 HydrophobicContact CB-CB 3.92Å; P109-V298 HydrophobicContact CB-CG1 3.77Å; P109-V298 HydrophobicContact CG-CB 3.67Å; P109-V298 HydrophobicContact CG-CG1 3.62Å; P109-V298 HydrophobicContact CG-CG2 4.31Å; T194-V298 CarbonylContact C-O 3.6Å; T194-V298 WeakPolarHBondContact CA-O 3.36Å; L195-V298 PolarHBondContact N-O 3.29Å; L195-V298 PolarHBondContact O-N 3.44Å; I296-V298 PolarHBondContact O-N 3.08Å
299	Q	97.5	Very high	95.8	Very high	100 Å²	100	55.6 Å²	55.6	47%	0.467	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	138.4	177.4	-70.1	179.6	-19.5	0	0	110.6	E192 I193	E192-Q299 HydrophobicContact CG-CG 4.45Å; E192-Q299 PolarHBondContact OE1-NE2 2.72Å; I193-Q299 WeakPolarHBondContact O-CA 3.39Å
300	I	98.4	Very high	95.8	Very high	5 Å²	5	54.9 Å²	54.9	3%	0.026	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	132.3	171.1	-65	174.2	0	0	0	107.3	P109 S112 F114 V135 M137 L152 I193 L195	P109-I300 HydrophobicContact CB-CG1 4.35Å; S112-I300 WeakPolarHBondContact O-CG2 3.5Å; F114-I300 HydrophobicContact CD1-CG2 4.25Å; F114-I300 WeakPolarHBondContact CD1-O 3.24Å; F114-I300 VanDerWaalsContact CE1-O 3.24Å; F114-I300 WeakPolarHBondContact CE1-O 3.3Å; V135-I300 HydrophobicContact CG1-CD1 3.92Å; V135-I300 HydrophobicContact CG1-CG2 4.43Å; M137-I300 HydrophobicContact CE-CD1 4.12Å; M137-I300 HydrophobicContact SD-CD1 3.65Å; L152-I300 HydrophobicContact CD2-CD1 3.91Å; I193-I300 HydrophobicContact CG2-CD1 4.19Å; I193-I300 PolarHBondContact O-N 3.47Å; L195-I300 HydrophobicContact CB-CD1 4.24Å; L195-I300 HydrophobicContact CB-CG1 4.32Å
301	H	96.6	Very high	95.7	Very high	111 Å²	111	56.6 Å²	56.6	51%	0.514	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	151	-177.4	-64.5	-61	0	0	0	112.4	L113 F114	L113-H301 CarbonylContact C-O 3.3Å; L113-H301 VanDerWaalsContact CA-O 3.28Å; L113-H301 WeakPolarHBondContact CA-O 3.34Å; L113-H301 HydrophobicContact CD2-CB 4.33Å; F114-H301 WeakPolarHBondContact CD1-O 3.32Å; F114-H301 PolarHBondContact N-O 3.09Å
302	A	97.4	Very high	95.6	Very high	29 Å²	29	56.9 Å²	56.9	24%	0.24	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	139.7	171.2	0	0	0	0	0	110.4	F114 G304 D306	F114-A302 HydrophobicContact CD1-CB 4.38Å; F114-A302 HydrophobicContact CD2-CB 4.37Å; F114-A302 HydrophobicContact CE1-CB 3.86Å; F114-A302 HydrophobicContact CE2-CB 3.84Å; F114-A302 HydrophobicContact CZ-CB 3.58Å; F114-A302 CarbonylContact O-C 3.54Å; F114-A302 WeakPolarHBondContact O-CA 3.27Å; A302-G304 WeakPolarHBondContact CB-O 3.15Å; A302-G304 PolarHBondContact O-N 3.1Å; A302-D306 HydrophobicContact CB-CB 3.79Å
303	S	95.7	Very high	95.1	Very high	78 Å²	78	56.8 Å²	56.8	55%	0.545	33%	0.329	S	S	.	.	S	Bend	trans	-72.2	-12.9	168.9	-174.4	0	0	0	0	112.6	F114	F114-S303 PolarHBondContact O-N 3.24Å
304	G	93.4	Very high	94.4	Very high	53 Å²	53	56.7 Å²	56.7	55%	0.546	31%	0.31	S	S	.	.	S	Bend	trans	-155.5	-136.2	-175	0	0	0	0	0	111.3	A302 D306	A302-G304 WeakPolarHBondContact CB-O 3.15Å; A302-G304 PolarHBondContact O-N 3.1Å; G304-D306 PolarHBondContact O-N 3.13Å
305	K	92.7	Very high	93	Very high	179 Å²	179	58.2 Å²	58.2	78%	0.778	33%	0.328	S	S	*	.			trans	-68.1	129.8	175.3	-65.8	-176.2	-179.5	-179.7	0	110.3	I116	I116-K305 WeakPolarHBondContact CD1-O 3.25Å
306	D	95.6	Very high	91.3	Very high	52 Å²	52	64.3 Å²	64.3	28%	0.278	36%	0.361	S	S	.	.			trans	-101.3	-10.6	172.5	64.4	-20.6	0	0	0	112.6	F114 Q190 V191 A302 G304	F114-D306 HydrophobicContact CE2-CB 4.4Å; F114-D306 HydrophobicContact CZ-CB 3.98Å; Q190-D306 WeakPolarHBondContact CA-O 3.44Å; Q190-D306 PolarHBondContact NE2-OD2 3.45Å; V191-D306 PolarHBondContact N-O 2.99Å; A302-D306 HydrophobicContact CB-CB 3.79Å; G304-D306 PolarHBondContact O-N 3.13Å
307	R	95.9	Very high	89.1	Confident	81 Å²	81	67.2 Å²	67.2	31%	0.306	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	140.1	179.1	-65.7	-178.5	80.6	119.8	-7.8	112.1	E160 S188 A189 Q190	E160-R307 IonicContact OE1-NH2 3.36Å; E160-R307 IonicContact OE2-NH2 3.09Å; E160-R307 PolarHBondContact OE2-NH2 3.43Å; S188-R307 PolarHBondContact OG-NE 2.89Å; S188-R307 VanDerWaalsContact OG-NE 3.08Å; S188-R307 PolarHBondContact OG-NH2 3.43Å; A189-R307 VanDerWaalsContact O-CA 3.32Å; A189-R307 WeakPolarHBondContact O-CA 3.15Å; Q190-R307 HydrophobicContact CB-CG 3.76Å; Q190-R307 HydrophobicContact CG-CG 3.71Å
308	I	95.4	Very high	86.9	Confident	19 Å²	19	70.5 Å²	70.5	10%	0.097	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	166.3	169	62.6	163.7	0	0	0	110.1	I116 W125 L131 L183 S188 A189 V310	I116-I308 HydrophobicContact CD1-CG2 4.06Å; I116-I308 HydrophobicContact CG2-CG2 4.37Å; W125-I308 HydrophobicContact CB-CD1 4.21Å; W125-I308 HydrophobicContact CD2-CD1 4.26Å; W125-I308 HydrophobicContact CG-CD1 3.89Å; L131-I308 HydrophobicContact CD1-CD1 3.98Å; L131-I308 HydrophobicContact CD1-CG2 4.39Å; L131-I308 HydrophobicContact CD2-CD1 3.84Å; L131-I308 HydrophobicContact CD2-CG1 4.48Å; L131-I308 HydrophobicContact CG-CD1 4.39Å; L183-I308 HydrophobicContact CD1-CD1 3.94Å; L183-I308 HydrophobicContact CD2-CD1 3.9Å; S188-I308 CarbonylContact C-O 3.56Å; S188-I308 WeakPolarHBondContact CA-O 3.32Å; A189-I308 HydrophobicContact CB-CG1 4.18Å; A189-I308 PolarHBondContact N-O 3.29Å; A189-I308 PolarHBondContact O-N 3.2Å; I308-V310 HydrophobicContact CD1-CG2 3.97Å; I308-V310 HydrophobicContact CG1-CG2 4.35Å
309	N	95.7	Very high	84.2	Confident	95 Å²	95	77.7 Å²	77.7	51%	0.508	43%	0.432	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	125.2	168.3	-170.1	42.8	0	0	0	108.6	G187 S188	G187-N309 PolarHBondContact O-OD1 2.88Å; S188-N309 PolarHBondContact N-OD1 3Å
310	V	95.8	Very high	81.6	Confident	1 Å²	1	80.3 Å²	80.3	1%	0.006	44%	0.442	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	126.4	-179	-170.7	0	0	0	0	109	W125 I127 L183 W185 V186 G187 A189 I308	W125-V310 CarbonylContact O-C 3.59Å; W125-V310 WeakPolarHBondContact O-CA 3.31Å; I127-V310 HydrophobicContact CG1-CG1 4.1Å; L183-V310 HydrophobicContact CB-CG1 4.07Å; L183-V310 HydrophobicContact CD1-CG1 4.17Å; L183-V310 HydrophobicContact CD1-CG2 4.03Å; L183-V310 HydrophobicContact CD2-CG2 4.24Å; W185-V310 VanDerWaalsContact O-CB 3.25Å; W185-V310 WeakPolarHBondContact O-CB 3.36Å; W185-V310 WeakPolarHBondContact O-CG1 3.45Å; V186-V310 WeakPolarHBondContact CA-O 3.43Å; V186-V310 WeakPolarHBondContact CG1-O 3.43Å; G187-V310 PolarHBondContact N-O 2.81Å; G187-V310 PolarHBondContact O-N 2.85Å; A189-V310 HydrophobicContact CB-CG2 4.25Å; I308-V310 HydrophobicContact CD1-CG2 3.97Å; I308-V310 HydrophobicContact CG1-CG2 4.35Å
311	L	94.7	Very high	78.8	Confident	42 Å²	42	88.7 Å²	88.7	22%	0.22	48%	0.481	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	163.5	179.9	-61	-179.2	0	0	0	111.7	E124 W125 R126 I127	E124-L311 HydrophobicContact CB-CD1 3.93Å; E124-L311 HydrophobicContact CG-CD1 4.17Å; E124-L311 WeakPolarHBondContact OE2-CD1 3.49Å; W125-L311 PolarHBondContact O-N 3.23Å; R126-L311 WeakPolarHBondContact CA-O 3.17Å; R126-L311 HydrophobicContact CG-CB 4.25Å; I127-L311 PolarHBondContact N-O 2.84Å
312	P	92.7	Very high	76	Confident	69 Å²	69	91.3 Å²	91.3	45%	0.448	50%	0.498	S	S	.	.	P	Polyproline II helix	trans	-57.9	159.7	169	-21.2	32.6	0	0	0	112.5	R126 V186	R126-P312 WeakPolarHBondContact CD-O 3.48Å; R126-P312 PolarHBondContact NH1-O 2.8Å; V186-P312 HydrophobicContact CG1-CG 4.34Å; V186-P312 HydrophobicContact CG2-CB 4.46Å; V186-P312 HydrophobicContact CG2-CG 4.12Å
313	P	85	Confident	73.4	Confident	68 Å²	68	94.5 Å²	94.5	44%	0.442	52%	0.519	S	S	.	.	P	Polyproline II helix	trans	-54.1	153.7	169	-20.2	31.3	0	0	0	111.9	I127	I127-P313 HydrophobicContact CB-CG 4.23Å
314	E	78.3	Confident	70.5	Confident	69 Å²	69	95 Å²	95	32%	0.322	52%	0.523	S	S	.	.	P	Polyproline II helix	trans	-69.6	144.5	170.1	-96	160.1	-149.1	0	0	110.4	R122 R126 D316 D317	R122-E314 IonicContact CZ-OE1 3.54Å; R122-E314 IonicContact CZ-OE2 3.89Å; R122-E314 IonicContact NE-OE1 2.76Å; R122-E314 IonicContact NH2-OE1 2.82Å; R122-E314 IonicContact NH2-OE2 2.71Å; R122-E314 PolarHBondContact NH2-OE2 2.99Å; R126-E314 IonicContact CZ-OE1 3.16Å; R126-E314 IonicContact NE-OE1 3.64Å; R126-E314 PolarHBondContact NE-OE1 2.7Å; R126-E314 IonicContact NH2-OE1 3.97Å; R126-E314 PolarHBondContact NH2-OE1 2.94Å; E314-D316 PolarHBondContact O-N 3.42Å; E314-D316 VanDerWaalsContact O-N 3.14Å; E314-D317 PolarHBondContact O-N 2.88Å
315	A	66.1	Low	68	Low	88 Å²	88	102.2 Å²	102.2	73%	0.727	54%	0.542	S	S	*	.	G	3₁₀ helix	trans	-57.8	-27.7	-178.6	0	0	0	0	0	113.2
316	D	57.3	Low	65.2	Low	133 Å²	133	103.1 Å²	103.1	71%	0.711	54%	0.541	S	S	*	.	G	3₁₀ helix	trans	-84	-9.7	179	-69.3	-17.9	0	0	0	114	E314 V318	E314-D316 PolarHBondContact O-N 3.42Å; E314-D316 VanDerWaalsContact O-N 3.14Å; D316-V318 VanDerWaalsContact C-N 3.35Å
317	D	53	Low	62.4	Low	68 Å²	68	107.9 Å²	107.9	36%	0.364	57%	0.572	S	S	.	*	G	3₁₀ helix	trans	-84.9	-10.3	177.6	-74.9	-31.7	0	0	0	112.3	R122 E314 E319	R122-D317 IonicContact NH1-OD2 2.84Å; R122-D317 IonicContact NH2-OD2 3.81Å; E314-D317 PolarHBondContact O-N 2.88Å; D317-E319 VanDerWaalsContact C-N 3.32Å; D317-E319 PolarHBondContact O-N 3.05Å
318	V	49.7	Very low	59.6	Low	114 Å²	114	109.1 Å²	109.1	69%	0.691	58%	0.581	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.4	-21.9	178.5	-174.5	0	0	0	0	112.2	D316	D316-V318 VanDerWaalsContact C-N 3.35Å
319	E	41.5	Very low	56.7	Low	178 Å²	178	113 Å²	113	83%	0.832	61%	0.607	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.1	-6.1	-178	-67.6	-167.2	162.3	0	0	114.5	D317	D317-E319 VanDerWaalsContact C-N 3.32Å; D317-E319 PolarHBondContact O-N 3.05Å
320	K	42.4	Very low	54.1	Low	155 Å²	155	115.6 Å²	115.6	67%	0.674	63%	0.626	S	S	*	*			trans	-103.2	6.2	-175.9	-84.8	-179.4	-178.3	166.3	0	115.9	N322	K320-N322 PolarHBondContact O-N 2.91Å
321	E	40.5	Very low	52	Low	181 Å²	181	120 Å²	120	85%	0.846	65%	0.645	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.5	-5.4	175	-80.6	-166.1	153.4	0	0	114.3
322	N	37.5	Very low	50.1	Low	165 Å²	165	121.7 Å²	121.7	88%	0.882	66%	0.659	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.4	1.9	177.8	-86	-12.2	0	0	0	115.8	K320	K320-N322 PolarHBondContact O-N 2.91Å
323	S	43	Very low	49	Very low	97 Å²	97	127.1 Å²	127.1	68%	0.678	68%	0.676	S	S	*	*	S	Bend	trans	-161	88.1	175	61.5	0	0	0	0	113.5
324	S	34.4	Very low	48.9	Very low	89 Å²	89	124.4 Å²	124.4	62%	0.622	66%	0.658	S	S	*	*			trans	-166.2	113.7	132.1	70.5	0	0	0	0	111.1	R326	S324-R326 VanDerWaalsContact C-N 3.27Å; S324-R326 PolarHBondContact O-N 3.2Å
325	E	40.9	Very low	49.5	Very low	204 Å²	204	123 Å²	123	95%	0.953	66%	0.656	S	S	*	*			trans	-64.2	93.6	148.7	-76.3	179.4	148	0	0	107.4
326	R	34.8	Very low	50.9	Low	198 Å²	198	118.8 Å²	118.8	75%	0.747	62%	0.621	S	S	*	*			trans	-95.6	109.8	158.8	-81.5	-174.6	176.6	-169.6	0.9	107.5	S324 E328	S324-R326 VanDerWaalsContact C-N 3.27Å; S324-R326 PolarHBondContact O-N 3.2Å; R326-E328 HydrophobicContact CB-CG 4.48Å; R326-E328 PolarHBondContact O-N 2.84Å
327	T	35.8	Very low	52.8	Low	151 Å²	151	113.9 Å²	113.9	93%	0.926	59%	0.593	S	S	*	*			trans	-63.3	73.3	159.7	32	0	0	0	0	109.3
328	E	36.6	Very low	54.9	Low	108 Å²	108	110.8 Å²	110.8	51%	0.505	58%	0.576	S	S	.	*			trans	-77.7	146.5	160.1	-79.3	-83.8	136.3	0	0	108.3	R326 V330 K331	R326-E328 HydrophobicContact CB-CG 4.48Å; R326-E328 PolarHBondContact O-N 2.84Å; E328-V330 PolarHBondContact O-N 2.87Å; E328-K331 WeakPolarHBondContact OE2-CE 3.37Å; E328-K331 IonicContact OE2-NZ 3.58Å; E328-K331 PolarHBondContact OE2-NZ 3.01Å
329	P	35.6	Very low	57.1	Low	99 Å²	99	107.1 Å²	107.1	64%	0.643	55%	0.551	S	S	*	*			trans	-53.4	142.1	173.7	24.4	-32.6	0	0	0	108.8	K331	P329-K331 VanDerWaalsContact C-N 3.26Å; P329-K331 WeakPolarHBondContact O-CG 3.28Å; P329-K331 PolarHBondContact O-N 3.15Å
330	V	41.2	Very low	59.7	Low	150 Å²	150	105.8 Å²	105.8	91%	0.909	54%	0.542	S	S	*	.			trans	-56.8	87.9	-177.5	-179	0	0	0	0	109.4	E328	E328-V330 PolarHBondContact O-N 2.87Å
331	K	50.9	Low	62.2	Low	93 Å²	93	102.2 Å²	102.2	40%	0.404	53%	0.53	S	S	.	.			trans	-69.6	129.8	175.4	-68.7	177.5	-168.7	168.8	0	106.4	E328 P329 K333	E328-K331 WeakPolarHBondContact OE2-CE 3.37Å; E328-K331 IonicContact OE2-NZ 3.58Å; E328-K331 PolarHBondContact OE2-NZ 3.01Å; P329-K331 VanDerWaalsContact C-N 3.26Å; P329-K331 WeakPolarHBondContact O-CG 3.28Å; P329-K331 PolarHBondContact O-N 3.15Å; K331-K333 PolarHBondContact O-N 2.9Å
332	P	53.9	Low	64.9	Low	78 Å²	78	94.2 Å²	94.2	51%	0.506	50%	0.495	S	S	.	.			trans	-58.4	114.7	174.1	22.8	-30.9	0	0	0	108.2	T168	T168-P332 HydrophobicContact CG2-CB 4.28Å; T168-P332 HydrophobicContact CG2-CG 3.41Å; T168-P332 VanDerWaalsContact CG2-CG 3.41Å
333	K	70.9	Confident	67.7	Low	184 Å²	184	86.8 Å²	86.8	80%	0.8	45%	0.454	S	S	*	.			trans	-90.6	131.8	173.7	-72.2	-176.2	177	-177.2	0	107.3	K331	K331-K333 PolarHBondContact O-N 2.9Å
334	P	82.9	Confident	70.1	Confident	11 Å²	11	86.8 Å²	86.8	7%	0.071	44%	0.439	C	S	.	.			trans	-59.2	151.5	171.7	24.1	-29.5	0	0	0	109.8	V165 P182 G336 L346 E538	V165-P334 HydrophobicContact CG2-CB 4.05Å; V165-P334 HydrophobicContact CG2-CG 3.8Å; P182-P334 HydrophobicContact CG-CG 3.63Å; P334-G336 PolarHBondContact O-N 3.29Å; P334-L346 HydrophobicContact CG-CD1 3.91Å; P334-E538 WeakPolarHBondContact CA-OE2 3.47Å; P334-E538 WeakPolarHBondContact CB-OE2 3.28Å
335	S	90.9	Very high	72.9	Confident	39 Å²	39	83.7 Å²	83.7	27%	0.273	42%	0.417	S	S	.	.	S	Bend	trans	-62.7	-28.2	174.6	65	0	0	0	0	112.4	W343 P345 L346 D535 E538	S335-W343 WeakPolarHBondContact OG-CZ2 3.28Å; S335-P345 WeakPolarHBondContact O-CA 3.04Å; S335-L346 PolarHBondContact O-N 3.43Å; S335-D535 WeakPolarHBondContact OG-CB 3.27Å; S335-E538 WeakPolarHBondContact CA-OE2 3.36Å; S335-E538 VanDerWaalsContact CB-OE2 3.31Å; S335-E538 WeakPolarHBondContact CB-OE2 3.23Å; S335-E538 PolarHBondContact N-OE2 2.89Å; S335-E538 PolarHBondContact OG-OE2 2.77Å
336	G	95.1	Very high	75.3	Confident	0 Å²	0	77.6 Å²	77.6	0%	0	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	178.5	-169.2	179.3	0	0	0	0	0	113.4	P334 W343 R344	P334-G336 PolarHBondContact O-N 3.29Å; G336-W343 VanDerWaalsContact C-CZ2 3.5Å; G336-W343 VanDerWaalsContact N-CZ2 3.34Å; G336-W343 WeakPolarHBondContact O-CH2 3.44Å; G336-R344 CarbonylContact C-O 3.53Å; G336-R344 WeakPolarHBondContact CA-O 3.18Å
337	Y	96.8	Very high	77.4	Confident	30 Å²	30	71.5 Å²	71.5	12%	0.118	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.7	156.8	177.8	69.7	-72.1	0	0	0	111.1	G164 L184 W185 F339 W343 R344 L346	G164-Y337 CarbonylContact O-C 3.39Å; G164-Y337 WeakPolarHBondContact O-CA 3.28Å; G164-Y337 WeakPolarHBondContact O-CB 3.18Å; L184-Y337 HydrophobicContact CB-CD1 4.2Å; L184-Y337 HydrophobicContact CB-CD2 3.76Å; L184-Y337 HydrophobicContact CB-CE1 4.23Å; L184-Y337 HydrophobicContact CB-CE2 3.76Å; L184-Y337 HydrophobicContact CB-CG 3.98Å; L184-Y337 HydrophobicContact CD1-CD1 3.65Å; L184-Y337 HydrophobicContact CD1-CD2 4.25Å; L184-Y337 HydrophobicContact CD1-CE1 4.33Å; L184-Y337 HydrophobicContact CD1-CG 3.6Å; L184-Y337 HydrophobicContact CG-CD1 4.41Å; L184-Y337 HydrophobicContact CG-CG 4.41Å; L184-Y337 WeakPolarHBondContact O-CE2 3.43Å; L184-Y337 PolarHBondContact O-OH 2.69Å; W185-Y337 HydrophobicContact CE3-CD2 4.01Å; W185-Y337 HydrophobicContact CE3-CE2 4.44Å; W185-Y337 HydrophobicContact CZ3-CD2 4.41Å; Y337-F339 HydrophobicContact CD2-CB 4.32Å; Y337-F339 HydrophobicContact CE2-CB 3.94Å; Y337-W343 CarbonylContact O-C 3.58Å; Y337-R344 HydrophobicContact CD1-CB 3.8Å; Y337-R344 WeakPolarHBondContact CD1-O 3.48Å; Y337-R344 HydrophobicContact CE1-CB 3.51Å; Y337-R344 HydrophobicContact CE1-CG 4.41Å; Y337-R344 HydrophobicContact CG-CB 4.41Å; Y337-R344 VanDerWaalsContact CZ-CD 3.49Å; Y337-R344 PolarHBondContact N-O 3.01Å; Y337-R344 WeakPolarHBondContact O-CB 3.41Å; Y337-R344 PolarHBondContact O-N 2.61Å; Y337-R344 WeakPolarHBondContact OH-CD 3.3Å; Y337-R344 PolarHBondContact OH-NH1 3.03Å; Y337-L346 HydrophobicContact CD1-CD2 4.17Å; Y337-L346 HydrophobicContact CD1-CG 4.38Å; Y337-L346 HydrophobicContact CE1-CD2 4.05Å
338	Y	97.7	Very high	79.1	Confident	3 Å²	3	67.8 Å²	67.8	1%	0.012	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	142.6	168.2	-79.2	-81.7	0	0	0	111.2	A163 G164 S342 W343 M539 A542 H543 N558	A163-Y338 WeakPolarHBondContact CA-O 3.03Å; A163-Y338 WeakPolarHBondContact CB-O 3.38Å; G164-Y338 PolarHBondContact N-O 3.27Å; G164-Y338 PolarHBondContact O-N 3.18Å; Y338-S342 WeakPolarHBondContact CA-O 3.24Å; Y338-W343 HydrophobicContact CD1-CB 4.45Å; Y338-W343 AromaticContact CD2-CE3 3.58Å; Y338-W343 HydrophobicContact CD2-CE3 3.58Å; Y338-W343 AromaticContact CD2-CZ3 3.91Å; Y338-W343 HydrophobicContact CD2-CZ3 3.91Å; Y338-W343 HydrophobicContact CE1-CB 4.02Å; Y338-W343 HydrophobicContact CE1-CE3 4.49Å; Y338-W343 HydrophobicContact CE2-CD2 4.48Å; Y338-W343 AromaticContact CE2-CE3 3.42Å; Y338-W343 HydrophobicContact CE2-CE3 3.42Å; Y338-W343 VanDerWaalsContact CE2-CE3 3.42Å; Y338-W343 AromaticContact CE2-CZ3 3.85Å; Y338-W343 HydrophobicContact CE2-CZ3 3.85Å; Y338-W343 HydrophobicContact CG-CE3 4.17Å; Y338-W343 AromaticContact CZ-CE3 3.91Å; Y338-M539 VanDerWaalsContact CE2-O 3.29Å; Y338-M539 WeakPolarHBondContact CE2-O 3.4Å; Y338-A542 HydrophobicContact CD2-CB 3.86Å; Y338-A542 HydrophobicContact CE2-CB 4.33Å; Y338-H543 HydrophobicContact CD2-CB 4.36Å; Y338-H543 AromaticContact CE1-CD2 3.7Å; Y338-H543 HydrophobicContact CE2-CB 3.95Å; Y338-H543 AromaticContact CE2-CD2 3.91Å; Y338-H543 AromaticContact CZ-CD2 3.49Å; Y338-H543 VanDerWaalsContact CZ-CD2 3.49Å; Y338-N558 HydrophobicContact CE1-CB 4.29Å
339	F	96.4	Very high	81.2	Confident	37 Å²	37	64.4 Å²	64.4	16%	0.162	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.7	126.7	161.8	-177.7	-97.3	0	0	0	109.4	G162 A163 W185 Y337 D341 S342 R344	G162-F339 CarbonylContact O-C 3.41Å; G162-F339 WeakPolarHBondContact O-CA 3.01Å; A163-F339 HydrophobicContact CB-CD2 3.96Å; W185-F339 HydrophobicContact CB-CD2 3.55Å; W185-F339 HydrophobicContact CB-CE2 3.65Å; W185-F339 HydrophobicContact CG-CD2 4.13Å; W185-F339 HydrophobicContact CG-CE2 4.34Å; Y337-F339 HydrophobicContact CD2-CB 4.32Å; Y337-F339 HydrophobicContact CE2-CB 3.94Å; F339-D341 VanDerWaalsContact C-N 3.28Å; F339-S342 PolarHBondContact N-O 3.19Å; F339-S342 PolarHBondContact O-N 2.02Å; F339-R344 VanDerWaalsContact CD1-CZ 3.42Å
340	K	95.8	Very high	83.5	Confident	149 Å²	149	64.8 Å²	64.8	65%	0.648	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.5	44.4	-169.9	-58.9	176.9	175.2	-176.3	0	112.2	L161 G162 S342	L161-K340 VanDerWaalsContact O-CA 3.26Å; L161-K340 WeakPolarHBondContact O-CA 3.4Å; L161-K340 PolarHBondContact O-N 3.07Å; G162-K340 PolarHBondContact O-N 2.98Å; G162-K340 VanDerWaalsContact O-N 3.11Å; K340-S342 PolarHBondContact O-N 3.11Å
341	D	95.4	Very high	85.8	Confident	81 Å²	81	58.7 Å²	58.7	43%	0.433	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	61.1	11.6	178.9	-54.4	-50.2	0	0	0	115.3	G162 F339 H544 N558	G162-D341 WeakPolarHBondContact CA-OD1 3.48Å; G162-D341 PolarHBondContact O-N 3Å; F339-D341 VanDerWaalsContact C-N 3.28Å; D341-H544 IonicContact OD1-CD2 2.85Å; D341-H544 IonicContact OD1-NE2 3.69Å; D341-N558 PolarHBondContact O-ND2 3.22Å; D341-N558 VanDerWaalsContact O-ND2 3.15Å
342	S	95.6	Very high	87.7	Confident	13 Å²	13	57.5 Å²	57.5	9%	0.091	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	129.2	175.8	177.7	0	0	0	0	110.5	Y338 F339 K340 H353	Y338-S342 WeakPolarHBondContact CA-O 3.24Å; F339-S342 PolarHBondContact N-O 3.19Å; F339-S342 PolarHBondContact O-N 2.02Å; K340-S342 PolarHBondContact O-N 3.11Å; S342-H353 WeakPolarHBondContact CB-NE2 3.33Å; S342-H353 PolarHBondContact OG-CE1 3.16Å; S342-H353 PolarHBondContact OG-NE2 2.9Å
343	W	96.3	Very high	89.5	Confident	8 Å²	8	58.3 Å²	58.3	3%	0.03	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	138.4	173.3	-177.3	-106.3	0	0	0	110.8	S335 G336 Y337 Y338 M351 E538 M539 A542 N558	S335-W343 WeakPolarHBondContact OG-CZ2 3.28Å; G336-W343 VanDerWaalsContact C-CZ2 3.5Å; G336-W343 VanDerWaalsContact N-CZ2 3.34Å; G336-W343 WeakPolarHBondContact O-CH2 3.44Å; Y337-W343 CarbonylContact O-C 3.58Å; Y338-W343 HydrophobicContact CD1-CB 4.45Å; Y338-W343 AromaticContact CD2-CE3 3.58Å; Y338-W343 HydrophobicContact CD2-CE3 3.58Å; Y338-W343 AromaticContact CD2-CZ3 3.91Å; Y338-W343 HydrophobicContact CD2-CZ3 3.91Å; Y338-W343 HydrophobicContact CE1-CB 4.02Å; Y338-W343 HydrophobicContact CE1-CE3 4.49Å; Y338-W343 HydrophobicContact CE2-CD2 4.48Å; Y338-W343 AromaticContact CE2-CE3 3.42Å; Y338-W343 HydrophobicContact CE2-CE3 3.42Å; Y338-W343 VanDerWaalsContact CE2-CE3 3.42Å; Y338-W343 AromaticContact CE2-CZ3 3.85Å; Y338-W343 HydrophobicContact CE2-CZ3 3.85Å; Y338-W343 HydrophobicContact CG-CE3 4.17Å; Y338-W343 AromaticContact CZ-CE3 3.91Å; W343-M351 HydrophobicContact CB-CE 3.95Å; W343-M351 HydrophobicContact CB-SD 3.76Å; W343-M351 HydrophobicContact CG-SD 4.15Å; W343-E538 HydrophobicContact CH2-CB 4.07Å; W343-M539 HydrophobicContact CB-CE 4.01Å; W343-M539 HydrophobicContact CD2-CE 4.23Å; W343-M539 HydrophobicContact CD2-CG 3.74Å; W343-M539 HydrophobicContact CD2-SD 4.48Å; W343-M539 HydrophobicContact CE3-CG 3.94Å; W343-M539 HydrophobicContact CG-CE 3.84Å; W343-M539 HydrophobicContact CG-CG 4.32Å; W343-M539 HydrophobicContact CG-SD 4.5Å; W343-M539 HydrophobicContact CH2-CG 3.93Å; W343-M539 HydrophobicContact CZ2-CG 3.73Å; W343-M539 HydrophobicContact CZ3-CG 4.03Å; W343-A542 HydrophobicContact CZ3-CB 4.05Å; W343-N558 HydrophobicContact CB-CB 4.12Å; W343-N558 WeakPolarHBondContact CB-OD1 3.38Å; W343-N558 PolarHBondContact N-OD1 3.41Å
344	R	95	Very high	90.5	Very high	98 Å²	98	49.6 Å²	49.6	37%	0.37	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	102	-179.4	-65.9	-178.3	174.6	-159.7	-4.9	108.3	G336 Y337 F339	G336-R344 CarbonylContact C-O 3.53Å; G336-R344 WeakPolarHBondContact CA-O 3.18Å; Y337-R344 HydrophobicContact CD1-CB 3.8Å; Y337-R344 WeakPolarHBondContact CD1-O 3.48Å; Y337-R344 HydrophobicContact CE1-CB 3.51Å; Y337-R344 HydrophobicContact CE1-CG 4.41Å; Y337-R344 HydrophobicContact CG-CB 4.41Å; Y337-R344 VanDerWaalsContact CZ-CD 3.49Å; Y337-R344 PolarHBondContact N-O 3.01Å; Y337-R344 WeakPolarHBondContact O-CB 3.41Å; Y337-R344 PolarHBondContact O-N 2.61Å; Y337-R344 WeakPolarHBondContact OH-CD 3.3Å; Y337-R344 PolarHBondContact OH-NH1 3.03Å; F339-R344 VanDerWaalsContact CD1-CZ 3.42Å
345	P	93.2	Very high	90.8	Very high	23 Å²	23	53.9 Å²	53.9	15%	0.149	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	141.6	179.5	31.1	-37.1	0	0	0	110.5	S335 T349 M351 M562	S335-P345 WeakPolarHBondContact O-CA 3.04Å; P345-T349 WeakPolarHBondContact CG-O 3.38Å; P345-M351 HydrophobicContact CG-CB 4.21Å; P345-M562 HydrophobicContact CB-CE 3.79Å; P345-M562 HydrophobicContact CB-SD 4.17Å; P345-M562 HydrophobicContact CG-CE 3.85Å; P345-M562 HydrophobicContact CG-SD 3.98Å
346	L	90.1	Very high	90.9	Very high	77 Å²	77	58.2 Å²	58.2	40%	0.403	32%	0.32	S	S	.	.	S	Bend	trans	-90.8	-8.7	176.6	-68.5	172.6	0	0	0	112.8	L184 P334 S335 Y337 G348	L184-L346 HydrophobicContact CD1-CD1 4.09Å; L184-L346 HydrophobicContact CD2-CD1 4.46Å; L184-L346 HydrophobicContact CD2-CD2 4.29Å; P334-L346 HydrophobicContact CG-CD1 3.91Å; S335-L346 PolarHBondContact O-N 3.43Å; Y337-L346 HydrophobicContact CD1-CD2 4.17Å; Y337-L346 HydrophobicContact CD1-CG 4.38Å; Y337-L346 HydrophobicContact CE1-CD2 4.05Å; L346-G348 PolarHBondContact O-N 2.78Å; L346-G348 VanDerWaalsContact O-N 3.1Å
347	G	78.5	Confident	90.9	Very high	69 Å²	69	60.2 Å²	60.2	71%	0.711	33%	0.334	S	S	*	.	S	Bend	trans	-77.5	23.1	178.2	0	0	0	0	0	115.6	T349	G347-T349 VanDerWaalsContact C-N 3.25Å; G347-T349 PolarHBondContact O-N 3.16Å
348	G	73.3	Confident	90.8	Very high	74 Å²	74	61.9 Å²	61.9	76%	0.763	35%	0.354	S	S	*	.	S	Bend	trans	74.1	3	175.3	0	0	0	0	0	116.4	L346	L346-G348 PolarHBondContact O-N 2.78Å; L346-G348 VanDerWaalsContact O-N 3.1Å
349	T	79.6	Confident	90.7	Very high	36 Å²	36	64.3 Å²	64.3	22%	0.221	37%	0.369	C	S	.	.			trans	-81.4	133.8	173.9	-58.7	0	0	0	0	110	P345 G347 M351 M562 Y566	P345-T349 WeakPolarHBondContact CG-O 3.38Å; G347-T349 VanDerWaalsContact C-N 3.25Å; G347-T349 PolarHBondContact O-N 3.16Å; T349-M351 PolarHBondContact O-N 2.94Å; T349-M562 HydrophobicContact CG2-CE 3.9Å; T349-Y566 HydrophobicContact CG2-CD1 4.26Å; T349-Y566 HydrophobicContact CG2-CE1 3.6Å; T349-Y566 HydrophobicContact CG2-CE2 4.34Å; T349-Y566 WeakPolarHBondContact OG1-CE1 3.45Å; T349-Y566 PolarHBondContact OG1-OH 3.24Å
350	V	84.9	Confident	90.7	Very high	107 Å²	107	62.6 Å²	62.6	65%	0.648	36%	0.361	S	S	*	.			trans	-85.5	109.5	172.6	-179.2	0	0	0	0	108.4
351	M	88.4	Confident	90.7	Very high	23 Å²	23	55.9 Å²	55.9	11%	0.113	33%	0.333	C	S	.	.	P	Polyproline II helix	trans	-76.2	126.2	175.9	-172	167.1	166.5	0	0	110.4	W343 P345 T349 N558 D561 M562	W343-M351 HydrophobicContact CB-CE 3.95Å; W343-M351 HydrophobicContact CB-SD 3.76Å; W343-M351 HydrophobicContact CG-SD 4.15Å; P345-M351 HydrophobicContact CG-CB 4.21Å; T349-M351 PolarHBondContact O-N 2.94Å; M351-N558 HydrophobicContact CE-CB 4.1Å; M351-N558 WeakPolarHBondContact CE-O 3.36Å; M351-D561 HydrophobicContact CE-CB 3.3Å; M351-M562 HydrophobicContact CG-SD 4.38Å; M351-M562 HydrophobicContact SD-SD 4.01Å
352	R	91.1	Very high	90.8	Very high	67 Å²	67	57.8 Å²	57.8	25%	0.253	34%	0.339	S	S	.	.	P	Polyproline II helix	trans	-98.4	158.8	172.8	-57.6	179.2	-2.4	171.6	12.6	109.5	F354 D561 S565 C568 V570	R352-F354 HydrophobicContact CB-CD2 4.35Å; R352-F354 HydrophobicContact CB-CE2 3.68Å; R352-F354 HydrophobicContact CB-CZ 4.16Å; R352-F354 VanDerWaalsContact CZ-CZ 3.49Å; R352-F354 VanDerWaalsContact NE-CZ 3.3Å; R352-D561 WeakPolarHBondContact O-CB 3.33Å; R352-S565 PolarHBondContact N-OG 2.8Å; R352-C568 PolarHBondContact NH1-O 3.42Å; R352-V570 HydrophobicContact CG-CG2 4.1Å
353	H	91.3	Very high	90.8	Very high	96 Å²	96	57.7 Å²	57.7	44%	0.444	34%	0.339	S	S	.	.	P	Polyproline II helix	trans	-101.7	134.9	175	-63.5	73.5	0	0	0	109.9	S342	S342-H353 WeakPolarHBondContact CB-NE2 3.33Å; S342-H353 PolarHBondContact OG-CE1 3.16Å; S342-H353 PolarHBondContact OG-NE2 2.9Å
354	F	93.2	Very high	90.9	Very high	0 Å²	0	57.3 Å²	57.3	0%	0	34%	0.337	C	S	.	.			trans	-120.5	70.4	-178.3	-64.5	-102.2	0	0	0	110.5	R352 V359 I360 C363 D561 L564 C568	R352-F354 HydrophobicContact CB-CD2 4.35Å; R352-F354 HydrophobicContact CB-CE2 3.68Å; R352-F354 HydrophobicContact CB-CZ 4.16Å; R352-F354 VanDerWaalsContact CZ-CZ 3.49Å; R352-F354 VanDerWaalsContact NE-CZ 3.3Å; F354-V359 HydrophobicContact CD1-CG1 3.96Å; F354-V359 HydrophobicContact CE1-CG1 4.29Å; F354-I360 HydrophobicContact CB-CD1 4.2Å; F354-I360 HydrophobicContact CB-CG1 3.72Å; F354-I360 HydrophobicContact CD1-CG1 4.09Å; F354-I360 HydrophobicContact CG-CG1 4.39Å; F354-C363 HydrophobicContact CE1-CB 3.95Å; F354-D561 WeakPolarHBondContact CA-OD1 3.29Å; F354-D561 VanDerWaalsContact CB-OD1 3.25Å; F354-D561 WeakPolarHBondContact CB-OD1 3.43Å; F354-D561 HydrophobicContact CD2-CB 4.31Å; F354-D561 WeakPolarHBondContact CD2-OD1 3.49Å; F354-D561 PolarHBondContact N-OD1 2.9Å; F354-L564 HydrophobicContact CB-CD1 3.83Å; F354-L564 HydrophobicContact CD1-CB 3.94Å; F354-L564 HydrophobicContact CD1-CD1 3.66Å; F354-L564 HydrophobicContact CD1-CG 4.45Å; F354-L564 HydrophobicContact CD2-CB 3.75Å; F354-L564 HydrophobicContact CD2-CD1 4.11Å; F354-L564 HydrophobicContact CE1-CB 3.61Å; F354-L564 HydrophobicContact CE1-CD1 4.15Å; F354-L564 HydrophobicContact CE1-CG 4.48Å; F354-L564 HydrophobicContact CE2-CB 3.42Å; F354-L564 VanDerWaalsContact CE2-CB 3.42Å; F354-L564 HydrophobicContact CG-CB 3.99Å; F354-L564 HydrophobicContact CG-CD1 3.62Å; F354-L564 HydrophobicContact CG-CG 4.48Å; F354-L564 VanDerWaalsContact CZ-C 3.48Å; F354-L564 HydrophobicContact CZ-CB 3.34Å; F354-C568 VanDerWaalsContact CE1-SG 3.54Å; F354-C568 VanDerWaalsContact CZ-SG 3.58Å
355	N	88	Confident	91	Very high	101 Å²	101	58.4 Å²	58.4	54%	0.54	34%	0.342	S	S	.	.			trans	-88.3	-16.9	-178.1	-61.2	-17.1	0	0	0	113.2	Q557	N355-Q557 PolarHBondContact OD1-NE2 2.61Å
356	E	92.9	Very high	91.2	Very high	130 Å²	130	60.7 Å²	60.7	61%	0.607	35%	0.352	S	S	*	.	S	Bend	trans	-109.6	130.4	-174.4	-66.5	177.1	-157.9	0	0	110.9	A358 V359 I360	E356-A358 VanDerWaalsContact C-N 3.28Å; E356-A358 PolarHBondContact O-N 2.74Å; E356-V359 HydrophobicContact CB-CB 4.43Å; E356-V359 HydrophobicContact CB-CG2 4.01Å; E356-V359 PolarHBondContact O-N 2.9Å; E356-V359 VanDerWaalsContact O-N 3.13Å; E356-I360 PolarHBondContact O-N 3.43Å
357	S	94.8	Very high	91.6	Very high	43 Å²	43	58.7 Å²	58.7	30%	0.301	34%	0.34	S	S	.	.	H	α-helix	trans	-55	-43.6	-179.9	63	0	0	0	0	112	V359 I360 T361 L387	S357-V359 VanDerWaalsContact C-N 3.31Å; S357-V359 PolarHBondContact O-N 3.26Å; S357-I360 PolarHBondContact O-N 2.82Å; S357-I360 VanDerWaalsContact O-N 3.12Å; S357-T361 PolarHBondContact O-N 3.49Å; S357-T361 PolarHBondContact O-OG1 2.82Å; S357-L387 VanDerWaalsContact CB-O 3.28Å; S357-L387 WeakPolarHBondContact CB-O 3.2Å
358	A	95.2	Very high	92.6	Very high	65 Å²	65	57.4 Å²	57.4	54%	0.537	32%	0.318	S	S	.	.	H	α-helix	trans	-59.3	-38.4	-179.9	0	0	0	0	0	113.2	E356 Q362	E356-A358 VanDerWaalsContact C-N 3.28Å; E356-A358 PolarHBondContact O-N 2.74Å; A358-Q362 WeakPolarHBondContact O-CB 3.43Å; A358-Q362 PolarHBondContact O-N 3.16Å
359	V	95.3	Very high	93.8	Very high	54 Å²	54	53.9 Å²	53.9	33%	0.327	28%	0.282	S	S	.	.	H	α-helix	trans	-69	-39.1	178.1	178.8	0	0	0	0	110.7	F354 E356 S357 C363	F354-V359 HydrophobicContact CD1-CG1 3.96Å; F354-V359 HydrophobicContact CE1-CG1 4.29Å; E356-V359 HydrophobicContact CB-CB 4.43Å; E356-V359 HydrophobicContact CB-CG2 4.01Å; E356-V359 PolarHBondContact O-N 2.9Å; E356-V359 VanDerWaalsContact O-N 3.13Å; S357-V359 VanDerWaalsContact C-N 3.31Å; S357-V359 PolarHBondContact O-N 3.26Å; V359-C363 WeakPolarHBondContact O-CB 3.48Å; V359-C363 PolarHBondContact O-N 3.27Å
360	I	96.5	Very high	94.7	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-67.1	-47.8	175.8	-61.4	163.1	0	0	0	110.3	F354 E356 S357 Q362 C363 L364 L384 L387 V388 L564	F354-I360 HydrophobicContact CB-CD1 4.2Å; F354-I360 HydrophobicContact CB-CG1 3.72Å; F354-I360 HydrophobicContact CD1-CG1 4.09Å; F354-I360 HydrophobicContact CG-CG1 4.39Å; E356-I360 PolarHBondContact O-N 3.43Å; S357-I360 PolarHBondContact O-N 2.82Å; S357-I360 VanDerWaalsContact O-N 3.12Å; I360-Q362 VanDerWaalsContact C-N 3.27Å; I360-Q362 PolarHBondContact O-N 3.38Å; I360-C363 WeakPolarHBondContact O-CB 3.42Å; I360-C363 PolarHBondContact O-N 3.47Å; I360-C363 VanDerWaalsContact O-N 3.07Å; I360-L364 HydrophobicContact CG2-CD1 3.72Å; I360-L364 HydrophobicContact CG2-CG 4.12Å; I360-L364 WeakPolarHBondContact O-CB 3.44Å; I360-L364 WeakPolarHBondContact O-CG 3.44Å; I360-L364 PolarHBondContact O-N 2.65Å; I360-L384 HydrophobicContact CG2-CD2 4.37Å; I360-L387 HydrophobicContact CD1-CB 4.48Å; I360-L387 HydrophobicContact CD1-CD2 3.22Å; I360-L387 HydrophobicContact CD1-CG 3.56Å; I360-V388 HydrophobicContact CB-CG2 3.78Å; I360-V388 HydrophobicContact CD1-CG2 4.18Å; I360-V388 HydrophobicContact CG2-CG2 3.53Å; I360-L564 HydrophobicContact CG1-CD1 3.95Å; I360-L564 HydrophobicContact CG2-CD1 4.01Å
361	T	97.2	Very high	95.3	Very high	8 Å²	8	47.3 Å²	47.3	5%	0.049	24%	0.242	C	C	.	.	H	α-helix	trans	-55.8	-44.8	176.9	-59.1	0	0	0	0	111.1	S357 L364 R365 V388 H412 I414	S357-T361 PolarHBondContact O-N 3.49Å; S357-T361 PolarHBondContact O-OG1 2.82Å; T361-L364 PolarHBondContact O-N 2.98Å; T361-R365 PolarHBondContact O-N 2.64Å; T361-V388 WeakPolarHBondContact OG1-CG1 3.45Å; T361-H412 HydrophobicContact CG2-CB 3.97Å; T361-H412 VanDerWaalsContact CG2-ND1 3.3Å; T361-H412 WeakPolarHBondContact CG2-ND1 3.47Å; T361-I414 HydrophobicContact CG2-CD1 4.04Å
362	Q	96	Very high	95.8	Very high	121 Å²	121	46.9 Å²	46.9	57%	0.565	24%	0.239	S	C	*	.	H	α-helix	trans	-65.7	-39	176.7	-178.2	59.3	23.9	0	0	112.4	A358 I360 R365	A358-Q362 WeakPolarHBondContact O-CB 3.43Å; A358-Q362 PolarHBondContact O-N 3.16Å; I360-Q362 VanDerWaalsContact C-N 3.27Å; I360-Q362 PolarHBondContact O-N 3.38Å; Q362-R365 WeakPolarHBondContact O-CB 3.25Å
363	C	96.7	Very high	96	Very high	12 Å²	12	43.7 Å²	43.7	8%	0.081	23%	0.227	C	C	.	.	H	α-helix	trans	-62.7	-42	175.3	-177.1	0	0	0	0	112.3	F354 V359 I360 R365 C568	F354-C363 HydrophobicContact CE1-CB 3.95Å; V359-C363 WeakPolarHBondContact O-CB 3.48Å; V359-C363 PolarHBondContact O-N 3.27Å; I360-C363 WeakPolarHBondContact O-CB 3.42Å; I360-C363 PolarHBondContact O-N 3.47Å; I360-C363 VanDerWaalsContact O-N 3.07Å; C363-R365 VanDerWaalsContact C-N 3.35Å; C363-C568 HydrophobicContact CB-CB 3.89Å; C363-C568 WeakPolarHBondContact CB-SG 3.41Å; C363-C568 WeakPolarHBondContact SG-CB 3.33Å; C363-C568 CovalentContact SG-SG 2.03Å; C363-C568 PolarHBondContact SG-SG 3.03Å
364	L	97.5	Very high	96.2	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-86.9	-2.7	-175.6	-66	-174.3	0	0	0	113.7	I360 T361 N366 K367 I369 I391 I414 L564 V567	I360-L364 HydrophobicContact CG2-CD1 3.72Å; I360-L364 HydrophobicContact CG2-CG 4.12Å; I360-L364 WeakPolarHBondContact O-CB 3.44Å; I360-L364 WeakPolarHBondContact O-CG 3.44Å; I360-L364 PolarHBondContact O-N 2.65Å; T361-L364 PolarHBondContact O-N 2.98Å; L364-N366 PolarHBondContact O-N 3.35Å; L364-K367 WeakPolarHBondContact O-CB 3.02Å; L364-K367 WeakPolarHBondContact O-CG 3.25Å; L364-K367 PolarHBondContact O-N 3.23Å; L364-I369 HydrophobicContact CD1-CD1 4.15Å; L364-I369 HydrophobicContact CD2-CD1 3.5Å; L364-I369 HydrophobicContact CD2-CG1 4.47Å; L364-I369 HydrophobicContact CG-CD1 4.45Å; L364-I391 HydrophobicContact CD1-CD1 4.41Å; L364-I414 HydrophobicContact CB-CD1 3.86Å; L364-I414 HydrophobicContact CB-CG1 4.3Å; L364-I414 HydrophobicContact CB-CG2 3.98Å; L364-I414 HydrophobicContact CD1-CG2 4.45Å; L364-I414 WeakPolarHBondContact O-CG1 3.24Å; L364-L564 HydrophobicContact CD1-CD2 4.45Å; L364-L564 HydrophobicContact CD2-CD2 3.54Å; L364-L564 HydrophobicContact CG-CD2 4.06Å; L364-V567 HydrophobicContact CD2-CG1 4.13Å
365	R	97.6	Very high	96.4	Very high	121 Å²	121	39.6 Å²	39.6	46%	0.457	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.1	131.4	-178.5	-170	176.8	-178.2	167.7	-0.5	111.5	T361 Q362 C363 K367 H412	T361-R365 PolarHBondContact O-N 2.64Å; Q362-R365 WeakPolarHBondContact O-CB 3.25Å; C363-R365 VanDerWaalsContact C-N 3.35Å; R365-K367 PolarHBondContact O-N 3.49Å; R365-H412 HydrophobicContact CG-CB 4.42Å; R365-H412 WeakPolarHBondContact CG-O 3.46Å
366	N	97.8	Very high	96.8	Very high	70 Å²	70	34.8 Å²	34.8	37%	0.374	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.8	18.6	-174.8	-56.9	-53.1	0	0	0	115.2	L364 H412 N413 N450	L364-N366 PolarHBondContact O-N 3.35Å; N366-H412 PolarHBondContact N-O 3.07Å; N366-N413 CarbonylContact C-O 3.6Å; N366-N413 WeakPolarHBondContact CA-O 3.49Å; N366-N413 PolarHBondContact N-O 2.93Å; N366-N413 WeakPolarHBondContact OD1-CB 3.36Å; N366-N413 PolarHBondContact OD1-ND2 2.52Å; N366-N413 VanDerWaalsContact OD1-ND2 3.15Å; N366-N450 WeakPolarHBondContact O-CB 3.38Å; N366-N450 PolarHBondContact O-OD1 3.32Å
367	K	98.2	Very high	97	Very high	36 Å²	36	28.6 Å²	28.6	16%	0.157	16%	0.155	C	C	.	.			trans	-100.4	144.2	-178.8	-60.9	-70.4	177.8	-83.3	0	112.6	L364 R365 N413 I414 L415 N450 V452 V567	L364-K367 WeakPolarHBondContact O-CB 3.02Å; L364-K367 WeakPolarHBondContact O-CG 3.25Å; L364-K367 PolarHBondContact O-N 3.23Å; R365-K367 PolarHBondContact O-N 3.49Å; K367-N413 PolarHBondContact N-O 3.11Å; K367-I414 WeakPolarHBondContact O-CA 3.45Å; K367-L415 PolarHBondContact O-N 3.43Å; K367-N450 WeakPolarHBondContact CA-O 3.26Å; K367-N450 PolarHBondContact NZ-OD1 3.36Å; K367-V452 HydrophobicContact CD-CG2 4.48Å; K367-V567 HydrophobicContact CD-CG1 4.41Å; K367-V567 HydrophobicContact CG-CG1 4.21Å
368	V	98.4	Very high	97.1	Very high	41 Å²	41	27.4 Å²	27.4	25%	0.248	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	114.1	167.3	-175	0	0	0	0	108.3	L415 N450 V452	V368-L415 CarbonylContact C-O 3.59Å; V368-L415 WeakPolarHBondContact CA-O 3.45Å; V368-L415 HydrophobicContact CB-CB 4.49Å; V368-L415 HydrophobicContact CG1-CB 4.16Å; V368-L415 HydrophobicContact CG1-CD2 3.92Å; V368-L415 HydrophobicContact CG1-CG 4.04Å; V368-L415 HydrophobicContact CG2-CB 4.19Å; V368-L415 HydrophobicContact CG2-CD2 4.38Å; V368-N450 PolarHBondContact N-O 3.01Å; V368-V452 PolarHBondContact O-N 3.07Å
369	I	98.6	Very high	97.2	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	115.7	177.6	-48.1	178.7	0	0	0	109.2	L364 M371 L384 L415 L416 K417 V452 V454	L364-I369 HydrophobicContact CD1-CD1 4.15Å; L364-I369 HydrophobicContact CD2-CD1 3.5Å; L364-I369 HydrophobicContact CD2-CG1 4.47Å; L364-I369 HydrophobicContact CG-CD1 4.45Å; I369-M371 HydrophobicContact CG2-CE 3.67Å; I369-M371 HydrophobicContact CG2-CG 3.99Å; I369-L384 HydrophobicContact CD1-CD1 4.37Å; I369-L415 PolarHBondContact N-O 3.32Å; I369-L416 HydrophobicContact CB-CD2 3.74Å; I369-L416 HydrophobicContact CD1-CD2 3.39Å; I369-L416 HydrophobicContact CG1-CD2 3.71Å; I369-K417 PolarHBondContact O-N 3.36Å; I369-V452 CarbonylContact C-O 3.58Å; I369-V452 WeakPolarHBondContact CA-O 3.49Å; I369-V452 HydrophobicContact CB-CB 4.45Å; I369-V452 HydrophobicContact CG1-CB 4.2Å; I369-V452 HydrophobicContact CG1-CG2 4.46Å; I369-V452 HydrophobicContact CG2-CB 4.24Å; I369-V452 HydrophobicContact CG2-CG1 4.28Å; I369-V454 HydrophobicContact CG2-CG2 3.94Å
370	N	98.7	Very high	97.3	Very high	4 Å²	4	23.3 Å²	23.3	2%	0.021	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	105.8	178.4	-56.4	-85.6	0	0	0	109.2	Y372 V452 V453 V454	N370-Y372 HydrophobicContact CB-CD2 4.46Å; N370-Y372 HydrophobicContact CB-CE2 3.56Å; N370-V452 PolarHBondContact N-O 2.97Å; N370-V453 CarbonylContact O-C 3.55Å; N370-V453 WeakPolarHBondContact O-CA 3.23Å; N370-V454 PolarHBondContact O-N 3.36Å
371	M	98.6	Very high	97.3	Very high	1 Å²	1	23.3 Å²	23.3	1%	0.005	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	123.1	179.6	-53.7	-174	-178.4	0	0	110.5	I369 V377 W380 F381 L384 K417 Y418 R419 V454	I369-M371 HydrophobicContact CG2-CE 3.67Å; I369-M371 HydrophobicContact CG2-CG 3.99Å; M371-V377 HydrophobicContact CB-CG2 3.95Å; M371-V377 HydrophobicContact CG-CG2 4.35Å; M371-V377 HydrophobicContact SD-CG2 4.25Å; M371-W380 HydrophobicContact CE-CB 4.35Å; M371-W380 HydrophobicContact SD-CB 4.08Å; M371-F381 HydrophobicContact SD-CB 3.85Å; M371-L384 HydrophobicContact CE-CD1 3.63Å; M371-K417 WeakPolarHBondContact CB-O 3.33Å; M371-K417 PolarHBondContact N-O 2.97Å; M371-Y418 HydrophobicContact CB-CD2 4.35Å; M371-Y418 CarbonylContact O-C 3.52Å; M371-Y418 WeakPolarHBondContact O-CA 3.45Å; M371-R419 PolarHBondContact O-N 3.13Å; M371-V454 CarbonylContact C-O 3.32Å; M371-V454 WeakPolarHBondContact CA-O 3.37Å; M371-V454 HydrophobicContact CB-CB 4.44Å; M371-V454 HydrophobicContact CG-CB 4.07Å; M371-V454 HydrophobicContact CG-CG2 4.29Å
372	Y	98.1	Very high	97.3	Very high	14 Å²	14	25.7 Å²	25.7	6%	0.055	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	128.2	178.8	-55.1	-81.1	0	0	0	110.7	N370 R419 V438 E441 L442 L445 V453 V454 L455 S456	N370-Y372 HydrophobicContact CB-CD2 4.46Å; N370-Y372 HydrophobicContact CB-CE2 3.56Å; Y372-R419 WeakPolarHBondContact CA-O 3.44Å; Y372-R419 HydrophobicContact CD1-CB 4.11Å; Y372-R419 HydrophobicContact CE1-CB 4.36Å; Y372-V438 HydrophobicContact CG-CG1 4.24Å; Y372-E441 HydrophobicContact CD1-CB 4.21Å; Y372-E441 HydrophobicContact CD1-CG 4.42Å; Y372-E441 HydrophobicContact CE1-CB 3.51Å; Y372-E441 HydrophobicContact CE1-CG 3.9Å; Y372-L442 HydrophobicContact CD2-CD2 4.49Å; Y372-L442 HydrophobicContact CE2-CD2 4.24Å; Y372-L445 HydrophobicContact CE2-CD1 4.28Å; Y372-V453 HydrophobicContact CD2-CG1 4.34Å; Y372-V453 HydrophobicContact CE2-CG1 4.44Å; Y372-V454 PolarHBondContact N-O 3.15Å; Y372-L455 HydrophobicContact CD2-CD2 3.92Å; Y372-L455 HydrophobicContact CG-CD2 4.35Å; Y372-L455 WeakPolarHBondContact O-CA 3.37Å; Y372-S456 PolarHBondContact O-N 3.22Å; Y372-S456 VanDerWaalsContact O-N 3.09Å
373	G	96.4	Very high	97.3	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	163.4	-153.6	179.5	0	0	0	0	0	117.5	R419 C420 H421 S456	G373-R419 PolarHBondContact N-O 3.27Å; G373-R419 VanDerWaalsContact N-O 3.13Å; G373-C420 CarbonylContact O-C 3.57Å; G373-C420 WeakPolarHBondContact O-CA 3.37Å; G373-H421 VanDerWaalsContact C-CD2 3.49Å; G373-H421 PolarHBondContact O-CD2 2.89Å; G373-H421 PolarHBondContact O-N 2.9Å; G373-S456 CarbonylContact C-O 3.48Å; G373-S456 WeakPolarHBondContact CA-O 3.36Å
374	D	95.6	Very high	97.3	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	9%	0.093	C	C	.	.	S	Bend	trans	-91.8	-171.6	174.9	57.9	43.4	0	0	0	111.4	T376 V377 R378 Y418 S456 W458 A459	D374-T376 PolarHBondContact O-N 3.47Å; D374-T376 WeakPolarHBondContact OD1-CB 3.43Å; D374-T376 WeakPolarHBondContact OD1-CG2 3.37Å; D374-T376 PolarHBondContact OD1-N 3.13Å; D374-T376 PolarHBondContact OD1-OG1 2.91Å; D374-V377 PolarHBondContact O-N 2.81Å; D374-R378 PolarHBondContact O-N 3.48Å; D374-Y418 PolarHBondContact O-OH 2.67Å; D374-S456 PolarHBondContact N-O 2.79Å; D374-W458 PolarHBondContact OD2-N 3.12Å; D374-W458 VanDerWaalsContact OD2-N 3.07Å; D374-A459 HydrophobicContact CB-CB 4.24Å; D374-A459 WeakPolarHBondContact OD2-CB 3.22Å; D374-A459 PolarHBondContact OD2-N 2.99Å
375	S	95.8	Very high	97.3	Very high	10 Å²	10	21.8 Å²	21.8	7%	0.07	10%	0.101	C	C	.	.	H	α-helix	trans	-62.7	-15.8	-177.4	66.4	0	0	0	0	113.1	R378 Q379 H550	S375-R378 WeakPolarHBondContact O-CB 3.14Å; S375-Q379 PolarHBondContact O-N 3Å; S375-H550 WeakPolarHBondContact CB-CE1 3.37Å; S375-H550 PolarHBondContact O-CE1 2.88Å; S375-H550 VanDerWaalsContact O-CE1 3.24Å; S375-H550 PolarHBondContact OG-CE1 2.93Å; S375-H550 PolarHBondContact OG-NE2 3Å
376	T	96.4	Very high	97.2	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-71.9	-46.8	179	71.4	0	0	0	0	111	D374 R378 Q379 S456 W458 R495 L549	D374-T376 PolarHBondContact O-N 3.47Å; D374-T376 WeakPolarHBondContact OD1-CB 3.43Å; D374-T376 WeakPolarHBondContact OD1-CG2 3.37Å; D374-T376 PolarHBondContact OD1-N 3.13Å; D374-T376 PolarHBondContact OD1-OG1 2.91Å; T376-R378 VanDerWaalsContact C-N 3.32Å; T376-R378 PolarHBondContact O-N 3.42Å; T376-Q379 WeakPolarHBondContact O-CB 3.3Å; T376-Q379 PolarHBondContact O-N 3.2Å; T376-Q379 VanDerWaalsContact O-N 3.16Å; T376-S456 PolarHBondContact OG1-OG 2.82Å; T376-W458 HydrophobicContact CG2-CZ2 4Å; T376-R495 VanDerWaalsContact CB-CZ 3.47Å; T376-R495 PolarHBondContact O-NH1 2.99Å; T376-L549 HydrophobicContact CG2-CD1 4.47Å
377	V	97.1	Very high	97	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-73.4	-24.6	175.2	74.3	0	0	0	0	112.5	M371 D374 Q379 W380 F381 Y418 V454	M371-V377 HydrophobicContact CB-CG2 3.95Å; M371-V377 HydrophobicContact CG-CG2 4.35Å; M371-V377 HydrophobicContact SD-CG2 4.25Å; D374-V377 PolarHBondContact O-N 2.81Å; V377-Q379 PolarHBondContact O-N 2.99Å; V377-W380 WeakPolarHBondContact O-CB 3.35Å; V377-W380 PolarHBondContact O-N 3.36Å; V377-F381 PolarHBondContact O-N 3.48Å; V377-Y418 HydrophobicContact CG1-CD2 4.07Å; V377-Y418 HydrophobicContact CG1-CE2 3.78Å; V377-V454 HydrophobicContact CG2-CB 4.32Å; V377-V454 HydrophobicContact CG2-CG1 3.64Å
378	R	96.8	Very high	96.9	Very high	19 Å²	19	18.1 Å²	18.1	7%	0.072	10%	0.096	C	C	.	.	H	α-helix	trans	-54.5	-38.8	167.5	-175.7	169.5	46.3	79.1	-4.2	111.7	D374 S375 T376 W380 F381 E382 N401 F405 Y418	D374-R378 PolarHBondContact O-N 3.48Å; S375-R378 WeakPolarHBondContact O-CB 3.14Å; T376-R378 VanDerWaalsContact C-N 3.32Å; T376-R378 PolarHBondContact O-N 3.42Å; R378-W380 PolarHBondContact O-N 2.8Å; R378-F381 WeakPolarHBondContact O-CB 3.22Å; R378-F381 PolarHBondContact O-N 3.17Å; R378-F381 VanDerWaalsContact O-N 3.12Å; R378-E382 HydrophobicContact CG-CG 4.37Å; R378-E382 IonicContact CZ-OE1 2.65Å; R378-E382 IonicContact NH1-OE1 3.76Å; R378-E382 PolarHBondContact NH1-OE1 2.92Å; R378-E382 IonicContact NH1-OE2 3.74Å; R378-E382 PolarHBondContact NH1-OE2 3.33Å; R378-E382 WeakPolarHBondContact O-CG 3.35Å; R378-E382 PolarHBondContact O-N 3.42Å; R378-N401 PolarHBondContact NE-O 2.9Å; R378-F405 HydrophobicContact CG-CD2 4.49Å; R378-F405 HydrophobicContact CG-CE2 4.12Å; R378-Y418 HydrophobicContact CB-CD1 4.36Å; R378-Y418 HydrophobicContact CB-CD2 4.01Å; R378-Y418 HydrophobicContact CB-CE1 3.94Å; R378-Y418 HydrophobicContact CB-CE2 3.57Å; R378-Y418 HydrophobicContact CB-CG 4.38Å; R378-Y418 HydrophobicContact CG-CD1 4.11Å; R378-Y418 HydrophobicContact CG-CE1 3.89Å; R378-Y418 HydrophobicContact CG-CE2 4.35Å; R378-Y418 HydrophobicContact CG-CG 4.43Å
379	Q	97	Very high	96.7	Very high	32 Å²	32	19.5 Å²	19.5	15%	0.15	11%	0.106	C	C	.	.	H	α-helix	trans	-59.7	-31.3	177.7	-162.7	-177.8	26.8	0	0	112.5	S375 T376 V377 Y383 P551 V556	S375-Q379 PolarHBondContact O-N 3Å; T376-Q379 WeakPolarHBondContact O-CB 3.3Å; T376-Q379 PolarHBondContact O-N 3.2Å; T376-Q379 VanDerWaalsContact O-N 3.16Å; V377-Q379 PolarHBondContact O-N 2.99Å; Q379-Y383 VanDerWaalsContact O-CB 3.23Å; Q379-Y383 WeakPolarHBondContact O-CB 3.22Å; Q379-Y383 PolarHBondContact O-N 2.81Å; Q379-P551 PolarHBondContact NE2-O 2.98Å; Q379-V556 VanDerWaalsContact CD-CG2 3.44Å; Q379-V556 HydrophobicContact CG-CG2 4.17Å
380	W	97.8	Very high	96.5	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-70.2	-41.6	175.7	-72.9	17.3	0	0	0	111.7	M371 V377 R378 Y383 L384 V454 R495 V534 M559 I560 L563	M371-W380 HydrophobicContact CE-CB 4.35Å; M371-W380 HydrophobicContact SD-CB 4.08Å; V377-W380 WeakPolarHBondContact O-CB 3.35Å; V377-W380 PolarHBondContact O-N 3.36Å; R378-W380 PolarHBondContact O-N 2.8Å; W380-Y383 PolarHBondContact O-N 2.86Å; W380-L384 WeakPolarHBondContact O-CG 3.39Å; W380-L384 PolarHBondContact O-N 3.06Å; W380-V454 HydrophobicContact CE3-CG1 3.73Å; W380-V454 HydrophobicContact CH2-CG1 4.45Å; W380-V454 HydrophobicContact CZ3-CG1 3.54Å; W380-R495 HydrophobicContact CH2-CB 4.03Å; W380-R495 HydrophobicContact CH2-CG 4.33Å; W380-R495 HydrophobicContact CZ2-CB 4.02Å; W380-R495 HydrophobicContact CZ2-CG 3.83Å; W380-R495 VanDerWaalsContact NE1-NH1 3.11Å; W380-V534 HydrophobicContact CH2-CB 4.05Å; W380-V534 HydrophobicContact CH2-CG1 4.02Å; W380-V534 HydrophobicContact CH2-CG2 4.02Å; W380-V534 HydrophobicContact CZ2-CG1 4.06Å; W380-M559 HydrophobicContact CH2-CB 4.45Å; W380-M559 HydrophobicContact CZ2-CB 3.58Å; W380-M559 HydrophobicContact CZ2-CG 4.29Å; W380-M559 HydrophobicContact CZ2-SD 4.1Å; W380-I560 HydrophobicContact CB-CD1 3.68Å; W380-I560 HydrophobicContact CD2-CD1 3.7Å; W380-I560 HydrophobicContact CE3-CD1 3.91Å; W380-I560 HydrophobicContact CG-CD1 3.61Å; W380-I560 HydrophobicContact CG-CG1 4.41Å; W380-L563 HydrophobicContact CE3-CD2 3.87Å; W380-L563 HydrophobicContact CZ3-CB 4.19Å; W380-L563 HydrophobicContact CZ3-CD2 3.91Å; W380-L563 HydrophobicContact CZ3-CG 4.47Å
381	F	97.6	Very high	96.4	Very high	1 Å²	1	23.8 Å²	23.8	0%	0.004	13%	0.126	C	C	.	.	H	α-helix	trans	-58.4	-50.5	172.6	176.8	-87.7	0	0	0	110.7	M371 V377 R378 Y383 L384 I385 F405 A407 L416	M371-F381 HydrophobicContact SD-CB 3.85Å; V377-F381 PolarHBondContact O-N 3.48Å; R378-F381 WeakPolarHBondContact O-CB 3.22Å; R378-F381 PolarHBondContact O-N 3.17Å; R378-F381 VanDerWaalsContact O-N 3.12Å; F381-Y383 VanDerWaalsContact C-N 3.33Å; F381-Y383 PolarHBondContact O-N 3.11Å; F381-L384 PolarHBondContact O-N 3.34Å; F381-I385 HydrophobicContact CD1-CD1 4.27Å; F381-I385 HydrophobicContact CE1-CD1 3.84Å; F381-I385 HydrophobicContact CE1-CG2 4.32Å; F381-I385 HydrophobicContact CZ-CG2 4.28Å; F381-I385 PolarHBondContact O-N 2.87Å; F381-F405 HydrophobicContact CD1-CB 4.2Å; F381-F405 HydrophobicContact CD1-CD2 4.19Å; F381-F405 HydrophobicContact CE1-CB 3.51Å; F381-F405 HydrophobicContact CE1-CD2 4.12Å; F381-F405 HydrophobicContact CE1-CG 4.11Å; F381-F405 HydrophobicContact CE2-CB 4.09Å; F381-F405 HydrophobicContact CZ-CB 3.45Å; F381-F405 VanDerWaalsContact CZ-CB 3.45Å; F381-A407 HydrophobicContact CE2-CB 4.09Å; F381-A407 HydrophobicContact CZ-CB 3.78Å; F381-L416 HydrophobicContact CD2-CB 3.91Å; F381-L416 HydrophobicContact CE2-CB 3.69Å
382	E	96.3	Very high	96.4	Very high	57 Å²	57	30.1 Å²	30.1	27%	0.266	15%	0.153	S	C	.	.	H	α-helix	trans	-61.3	-39.7	179.1	-70	172.6	175.7	0	0	112.4	R378 I385 T386	R378-E382 HydrophobicContact CG-CG 4.37Å; R378-E382 IonicContact CZ-OE1 2.65Å; R378-E382 IonicContact NH1-OE1 3.76Å; R378-E382 PolarHBondContact NH1-OE1 2.92Å; R378-E382 IonicContact NH1-OE2 3.74Å; R378-E382 PolarHBondContact NH1-OE2 3.33Å; R378-E382 WeakPolarHBondContact O-CG 3.35Å; R378-E382 PolarHBondContact O-N 3.42Å; E382-I385 WeakPolarHBondContact O-CG1 2.88Å; E382-T386 WeakPolarHBondContact O-CB 3.46Å; E382-T386 PolarHBondContact O-N 3.12Å; E382-T386 PolarHBondContact O-OG1 2.03Å
383	Y	96.9	Very high	96.3	Very high	20 Å²	20	34.3 Å²	34.3	8%	0.078	17%	0.173	C	C	.	.	H	α-helix	trans	-62.8	-48.8	176.5	-177.3	-88	0	0	0	111.6	Q379 W380 F381 I385 T386 L387 Q553 V556 Q557 I560	Q379-Y383 VanDerWaalsContact O-CB 3.23Å; Q379-Y383 WeakPolarHBondContact O-CB 3.22Å; Q379-Y383 PolarHBondContact O-N 2.81Å; W380-Y383 PolarHBondContact O-N 2.86Å; F381-Y383 VanDerWaalsContact C-N 3.33Å; F381-Y383 PolarHBondContact O-N 3.11Å; Y383-I385 PolarHBondContact O-N 3.23Å; Y383-T386 PolarHBondContact O-N 3.35Å; Y383-L387 HydrophobicContact CD1-CD2 4.42Å; Y383-L387 HydrophobicContact CE1-CD2 3.53Å; Y383-L387 WeakPolarHBondContact O-CB 3.24Å; Y383-L387 PolarHBondContact O-N 2.84Å; Y383-Q553 HydrophobicContact CD2-CG 4Å; Y383-Q553 HydrophobicContact CE2-CG 3.59Å; Y383-V556 HydrophobicContact CD2-CG1 3.91Å; Y383-V556 HydrophobicContact CG-CG1 3.96Å; Y383-Q557 HydrophobicContact CE2-CB 4.16Å; Y383-Q557 VanDerWaalsContact OH-CB 3.24Å; Y383-Q557 WeakPolarHBondContact OH-CB 3.48Å; Y383-Q557 VanDerWaalsContact OH-CG 3.22Å; Y383-Q557 WeakPolarHBondContact OH-CG 3.31Å; Y383-I560 HydrophobicContact CD1-CB 4.27Å; Y383-I560 HydrophobicContact CD1-CG1 3.76Å; Y383-I560 HydrophobicContact CD1-CG2 4.22Å; Y383-I560 HydrophobicContact CE1-CB 4.17Å; Y383-I560 HydrophobicContact CE1-CG1 4.15Å; Y383-I560 HydrophobicContact CE1-CG2 4.07Å; Y383-I560 HydrophobicContact CG-CG1 4.43Å
384	L	97.1	Very high	96.2	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-63	-44.2	-177.9	-73.3	173.6	0	0	0	112.7	I360 I369 M371 W380 F381 T386 L387 V388 L416 I560	I360-L384 HydrophobicContact CG2-CD2 4.37Å; I369-L384 HydrophobicContact CD1-CD1 4.37Å; M371-L384 HydrophobicContact CE-CD1 3.63Å; W380-L384 WeakPolarHBondContact O-CG 3.39Å; W380-L384 PolarHBondContact O-N 3.06Å; F381-L384 PolarHBondContact O-N 3.34Å; L384-T386 VanDerWaalsContact C-N 3.26Å; L384-T386 PolarHBondContact O-N 3.01Å; L384-L387 PolarHBondContact O-N 3.46Å; L384-V388 PolarHBondContact O-N 3.26Å; L384-L416 HydrophobicContact CB-CD1 3.79Å; L384-L416 HydrophobicContact CD1-CD1 4.1Å; L384-L416 HydrophobicContact CD1-CD2 4.38Å; L384-I560 HydrophobicContact CD2-CD1 4.48Å; L384-I560 HydrophobicContact CD2-CG2 3.85Å; L384-I560 HydrophobicContact CG-CD1 4.28Å
385	I	96.1	Very high	95.8	Very high	32 Å²	32	43.3 Å²	43.3	16%	0.164	22%	0.221	C	C	.	.	H	α-helix	trans	-70.9	-23.7	179.1	66.9	173.9	0	0	0	112.7	F381 E382 Y383 I391 E393 A407 L416	F381-I385 HydrophobicContact CD1-CD1 4.27Å; F381-I385 HydrophobicContact CE1-CD1 3.84Å; F381-I385 HydrophobicContact CE1-CG2 4.32Å; F381-I385 HydrophobicContact CZ-CG2 4.28Å; F381-I385 PolarHBondContact O-N 2.87Å; E382-I385 WeakPolarHBondContact O-CG1 2.88Å; Y383-I385 PolarHBondContact O-N 3.23Å; I385-I391 HydrophobicContact CG2-CG2 4.02Å; I385-E393 HydrophobicContact CD1-CB 4.48Å; I385-A407 HydrophobicContact CG2-CB 3.61Å; I385-L416 HydrophobicContact CG2-CD1 3.97Å
386	T	95.5	Very high	95.5	Very high	107 Å²	107	46.2 Å²	46.2	66%	0.656	24%	0.235	S	C	*	.	H	α-helix	trans	-75.8	-38.2	173.7	-58.9	0	0	0	0	110.8	E382 Y383 L384	E382-T386 WeakPolarHBondContact O-CB 3.46Å; E382-T386 PolarHBondContact O-N 3.12Å; E382-T386 PolarHBondContact O-OG1 2.03Å; Y383-T386 PolarHBondContact O-N 3.35Å; L384-T386 VanDerWaalsContact C-N 3.26Å; L384-T386 PolarHBondContact O-N 3.01Å
387	L	94.2	Very high	95.1	Very high	43 Å²	43	54.2 Å²	54.2	23%	0.225	27%	0.272	C	S	.	.	H	α-helix	trans	-82.7	-25.2	-175.7	-170.7	56.5	0	0	0	113.5	S357 I360 Y383 L384 P389	S357-L387 VanDerWaalsContact CB-O 3.28Å; S357-L387 WeakPolarHBondContact CB-O 3.2Å; I360-L387 HydrophobicContact CD1-CB 4.48Å; I360-L387 HydrophobicContact CD1-CD2 3.22Å; I360-L387 HydrophobicContact CD1-CG 3.56Å; Y383-L387 HydrophobicContact CD1-CD2 4.42Å; Y383-L387 HydrophobicContact CE1-CD2 3.53Å; Y383-L387 WeakPolarHBondContact O-CB 3.24Å; Y383-L387 PolarHBondContact O-N 2.84Å; L384-L387 PolarHBondContact O-N 3.46Å; L387-P389 WeakPolarHBondContact O-CD 3.37Å
388	V	95.8	Very high	94.5	Very high	0 Å²	0	55.7 Å²	55.7	0%	0	28%	0.282	C	S	.	.			trans	-118.9	90.7	178.5	-172.1	0	0	0	0	110	I360 T361 L384 E390 I391	I360-V388 HydrophobicContact CB-CG2 3.78Å; I360-V388 HydrophobicContact CD1-CG2 4.18Å; I360-V388 HydrophobicContact CG2-CG2 3.53Å; T361-V388 WeakPolarHBondContact OG1-CG1 3.45Å; L384-V388 PolarHBondContact O-N 3.26Å; V388-E390 HydrophobicContact CG1-CB 4.46Å; V388-E390 WeakPolarHBondContact CG1-OE2 3.46Å; V388-E390 PolarHBondContact O-N 2.86Å; V388-E390 VanDerWaalsContact O-N 3.11Å; V388-I391 HydrophobicContact CB-CD1 3.84Å; V388-I391 HydrophobicContact CB-CG1 4.08Å; V388-I391 HydrophobicContact CG1-CD1 3.85Å; V388-I391 HydrophobicContact CG1-CG1 3.75Å; V388-I391 HydrophobicContact CG2-CD1 4.37Å; V388-I391 PolarHBondContact O-N 3.14Å
389	P	93.7	Very high	93.9	Very high	70 Å²	70	58 Å²	58	46%	0.455	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-23.4	-174.5	-25.2	35.1	0	0	0	114.7	L387 I391 K392	L387-P389 WeakPolarHBondContact O-CD 3.37Å; P389-I391 VanDerWaalsContact C-N 3.28Å; P389-I391 PolarHBondContact O-N 3.05Å; P389-K392 WeakPolarHBondContact O-CD 3.5Å; P389-K392 WeakPolarHBondContact O-CE 3.47Å; P389-K392 PolarHBondContact O-NZ 2.86Å
390	E	95.4	Very high	93.3	Very high	90 Å²	90	64.3 Å²	64.3	42%	0.421	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-26.4	177.8	-63.7	75.3	-166.9	0	0	112.5	V388 K392 D409	V388-E390 HydrophobicContact CG1-CB 4.46Å; V388-E390 WeakPolarHBondContact CG1-OE2 3.46Å; V388-E390 PolarHBondContact O-N 2.86Å; V388-E390 VanDerWaalsContact O-N 3.11Å; E390-K392 PolarHBondContact O-N 2.81Å; E390-D409 WeakPolarHBondContact CB-OD2 3.39Å
391	I	97.3	Very high	92.7	Very high	4 Å²	4	67.4 Å²	67.4	2%	0.021	34%	0.343	C	S	.	.	S	Bend	trans	-79.2	101.6	175.6	-57.6	176	0	0	0	108.3	L364 I385 V388 P389 A407 D409 I414 L416	L364-I391 HydrophobicContact CD1-CD1 4.41Å; I385-I391 HydrophobicContact CG2-CG2 4.02Å; V388-I391 HydrophobicContact CB-CD1 3.84Å; V388-I391 HydrophobicContact CB-CG1 4.08Å; V388-I391 HydrophobicContact CG1-CD1 3.85Å; V388-I391 HydrophobicContact CG1-CG1 3.75Å; V388-I391 HydrophobicContact CG2-CD1 4.37Å; V388-I391 PolarHBondContact O-N 3.14Å; P389-I391 VanDerWaalsContact C-N 3.28Å; P389-I391 PolarHBondContact O-N 3.05Å; I391-A407 HydrophobicContact CG2-CB 3.59Å; I391-D409 HydrophobicContact CG1-CB 3.98Å; I391-I414 HydrophobicContact CD1-CD1 4.48Å; I391-I414 HydrophobicContact CD1-CG2 4.09Å; I391-L416 HydrophobicContact CD1-CD1 4.05Å; I391-L416 HydrophobicContact CD1-CG 4.47Å; I391-L416 HydrophobicContact CG2-CD1 3.94Å; I391-L416 HydrophobicContact CG2-CG 4.17Å
392	K	97.2	Very high	92	Very high	134 Å²	134	67.5 Å²	67.5	58%	0.583	34%	0.344	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.6	126.4	-177	-61.2	-54.1	-172.9	-169.9	0	111.6	P389 E390 A407 V408	P389-K392 WeakPolarHBondContact O-CD 3.5Å; P389-K392 WeakPolarHBondContact O-CE 3.47Å; P389-K392 PolarHBondContact O-NZ 2.86Å; E390-K392 PolarHBondContact O-N 2.81Å; K392-A407 CarbonylContact O-C 3.45Å; K392-A407 WeakPolarHBondContact O-CA 3.39Å; K392-V408 PolarHBondContact N-O 3.26Å; K392-V408 PolarHBondContact O-N 3.21Å
393	E	95.5	Very high	91.6	Very high	101 Å²	101	64.9 Å²	64.9	47%	0.472	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	131.9	172.4	-169.3	177.7	-177.3	0	0	111	I385 M406 A407	I385-E393 HydrophobicContact CD1-CB 4.48Å; E393-M406 WeakPolarHBondContact CA-O 3.21Å; E393-A407 HydrophobicContact CB-CB 4.32Å
394	I	94.5	Very high	91.4	Very high	76 Å²	76	64.9 Å²	64.9	39%	0.39	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	123.7	171.8	-60.1	178.2	0	0	0	107.7	L396 M406 V408	I394-L396 HydrophobicContact CG2-CD2 3.9Å; I394-L396 PolarHBondContact O-N 2.77Å; I394-M406 HydrophobicContact CD1-CG 4.21Å; I394-M406 HydrophobicContact CD1-SD 3.97Å; I394-M406 PolarHBondContact N-O 3.47Å; I394-V408 HydrophobicContact CD1-CB 4.45Å; I394-V408 HydrophobicContact CD1-CG2 3.59Å; I394-V408 HydrophobicContact CG1-CG2 4.3Å
395	N	88.9	Confident	91.4	Very high	114 Å²	114	65.6 Å²	65.6	61%	0.61	34%	0.338	S	S	*	.			trans	-71.7	96.3	176.2	-174.2	1	0	0	0	110.7	H397	N395-H397 PolarHBondContact O-N 3.49Å; N395-H397 WeakPolarHBondContact OD1-CA 3.26Å; N395-H397 PolarHBondContact OD1-N 3.4Å
396	L	89.4	Confident	91.4	Very high	70 Å²	70	66.7 Å²	66.7	37%	0.366	34%	0.343	S	S	.	.			trans	-82.6	14.2	173.9	-59.3	-178	0	0	0	112.9	I394 S398 P404 M406	I394-L396 HydrophobicContact CG2-CD2 3.9Å; I394-L396 PolarHBondContact O-N 2.77Å; L396-S398 PolarHBondContact O-N 2.87Å; L396-S398 PolarHBondContact O-OG 2.64Å; L396-P404 HydrophobicContact CD1-CB 4.41Å; L396-P404 HydrophobicContact CD1-CG 4.29Å; L396-M406 HydrophobicContact CD1-CB 3.89Å; L396-M406 HydrophobicContact CG-CB 4.49Å
397	H	86.8	Confident	91.6	Very high	168 Å²	168	61.6 Å²	61.6	78%	0.778	31%	0.312	S	S	*	.			trans	51.9	26.6	-173.5	-60.9	-76.8	0	0	0	113.7	N395	N395-H397 PolarHBondContact O-N 3.49Å; N395-H397 WeakPolarHBondContact OD1-CA 3.26Å; N395-H397 PolarHBondContact OD1-N 3.4Å
398	S	84.5	Confident	91.8	Very high	31 Å²	31	61.2 Å²	61.2	22%	0.217	31%	0.311	C	S	.	.			trans	-87.8	143.5	-178.4	-68.4	0	0	0	0	110.7	L396 K400 P404	L396-S398 PolarHBondContact O-N 2.87Å; L396-S398 PolarHBondContact O-OG 2.64Å; S398-K400 PolarHBondContact O-N 3.1Å; S398-P404 WeakPolarHBondContact CB-O 3.41Å; S398-P404 WeakPolarHBondContact OG-CD 3.36Å; S398-P404 PolarHBondContact OG-O 3.01Å
399	P	85.3	Confident	91.9	Very high	67 Å²	67	61.4 Å²	61.4	44%	0.435	31%	0.312	S	S	.	.			trans	-59.3	134.5	175.4	-22.6	32.8	0	0	0	111.6	N401 V402 G403 F405	P399-N401 PolarHBondContact O-N 3.09Å; P399-V402 HydrophobicContact CB-CB 4.23Å; P399-V402 HydrophobicContact CB-CG2 3.93Å; P399-V402 HydrophobicContact CG-CG2 4.42Å; P399-V402 PolarHBondContact O-N 3.34Å; P399-G403 PolarHBondContact O-N 3.15Å; P399-F405 WeakPolarHBondContact O-CZ 3.13Å
400	K	83.1	Confident	92.1	Very high	165 Å²	165	64 Å²	64	72%	0.717	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.2	-26.3	-174.1	-173.3	176.5	179.5	-179.9	0	115.6	S398 F405	S398-K400 PolarHBondContact O-N 3.1Å; K400-F405 VanDerWaalsContact C-CZ 3.48Å; K400-F405 WeakPolarHBondContact O-CE2 3.31Å; K400-F405 WeakPolarHBondContact O-CZ 3.45Å
401	N	85.2	Confident	92.2	Very high	66 Å²	66	65 Å²	65	35%	0.353	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98	-3.6	-178.4	-65.8	-29.2	0	0	0	114.4	R378 P399 F427	R378-N401 PolarHBondContact NE-O 2.9Å; P399-N401 PolarHBondContact O-N 3.09Å; N401-F427 WeakPolarHBondContact O-CE2 3.33Å
402	V	83.7	Confident	92.2	Very high	2 Å²	2	67.3 Å²	67.3	1%	0.012	35%	0.35	C	S	.	.	T	Hydrogen-bonded Turn	trans	-114.8	-44.9	-166.2	-179.8	0	0	0	0	112.5	P399 Y418 C420 F427 V430	P399-V402 HydrophobicContact CB-CB 4.23Å; P399-V402 HydrophobicContact CB-CG2 3.93Å; P399-V402 HydrophobicContact CG-CG2 4.42Å; P399-V402 PolarHBondContact O-N 3.34Å; V402-Y418 WeakPolarHBondContact O-CE1 3.42Å; V402-C420 WeakPolarHBondContact O-CB 3.4Å; V402-C420 PolarHBondContact O-SG 3.01Å; V402-C420 VanDerWaalsContact O-SG 3.4Å; V402-F427 HydrophobicContact CB-CE2 4.08Å; V402-F427 HydrophobicContact CG1-CE2 4.15Å; V402-F427 HydrophobicContact CG2-CD2 3.97Å; V402-F427 HydrophobicContact CG2-CE2 3.8Å; V402-V430 HydrophobicContact CB-CG2 4.5Å; V402-V430 HydrophobicContact CG1-CB 3.96Å; V402-V430 HydrophobicContact CG1-CG1 3.71Å; V402-V430 HydrophobicContact CG1-CG2 3.44Å; V402-V430 VanDerWaalsContact CG1-CG2 3.44Å; V402-V430 HydrophobicContact CG2-CG2 4.25Å
403	G	86.8	Confident	92.2	Very high	3 Å²	3	65.8 Å²	65.8	3%	0.031	35%	0.348	C	S	.	.			trans	79.1	-172.1	-163.5	0	0	0	0	0	112.7	P399 F405	P399-G403 PolarHBondContact O-N 3.15Å; G403-F405 VanDerWaalsContact N-CZ 3.31Å
404	P	94.3	Very high	92.4	Very high	19 Å²	19	61 Å²	61	12%	0.123	33%	0.326	C	S	.	.			cis	-64.5	146.2	-0.4	29.5	-36.9	0	0	0	112.4	L396 S398 Y418	L396-P404 HydrophobicContact CD1-CB 4.41Å; L396-P404 HydrophobicContact CD1-CG 4.29Å; S398-P404 WeakPolarHBondContact CB-O 3.41Å; S398-P404 WeakPolarHBondContact OG-CD 3.36Å; S398-P404 PolarHBondContact OG-O 3.01Å; P404-Y418 CarbonylContact C-O 3.5Å; P404-Y418 VanDerWaalsContact CA-O 3.29Å; P404-Y418 WeakPolarHBondContact CA-O 3.37Å
405	F	96.2	Very high	92.6	Very high	15 Å²	15	59.3 Å²	59.3	7%	0.066	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	149.4	168.8	-55.7	-42	0	0	0	110.5	R378 F381 P399 K400 G403 K417 Y418	R378-F405 HydrophobicContact CG-CD2 4.49Å; R378-F405 HydrophobicContact CG-CE2 4.12Å; F381-F405 HydrophobicContact CD1-CB 4.2Å; F381-F405 HydrophobicContact CD1-CD2 4.19Å; F381-F405 HydrophobicContact CE1-CB 3.51Å; F381-F405 HydrophobicContact CE1-CD2 4.12Å; F381-F405 HydrophobicContact CE1-CG 4.11Å; F381-F405 HydrophobicContact CE2-CB 4.09Å; F381-F405 HydrophobicContact CZ-CB 3.45Å; F381-F405 VanDerWaalsContact CZ-CB 3.45Å; P399-F405 WeakPolarHBondContact O-CZ 3.13Å; K400-F405 VanDerWaalsContact C-CZ 3.48Å; K400-F405 WeakPolarHBondContact O-CE2 3.31Å; K400-F405 WeakPolarHBondContact O-CZ 3.45Å; G403-F405 VanDerWaalsContact N-CZ 3.31Å; F405-K417 WeakPolarHBondContact O-CA 3.43Å; F405-Y418 AromaticContact CD2-CD1 3.5Å; F405-Y418 HydrophobicContact CD2-CD1 3.5Å; F405-Y418 HydrophobicContact CD2-CE1 4.24Å; F405-Y418 HydrophobicContact CD2-CG 4.31Å; F405-Y418 AromaticContact CE2-CD1 3.88Å; F405-Y418 HydrophobicContact CE2-CD1 3.88Å; F405-Y418 HydrophobicContact CE2-CE1 4.16Å; F405-Y418 HydrophobicContact CG-CD1 4.29Å; F405-Y418 PolarHBondContact N-O 2.79Å; F405-Y418 PolarHBondContact O-N 3.41Å
406	M	97.3	Very high	93	Very high	55 Å²	55	53.9 Å²	53.9	27%	0.271	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	132.8	177.1	-175.3	176.3	-63.9	0	0	108.3	E393 I394 L396 V408 L415 L416 K417	E393-M406 WeakPolarHBondContact CA-O 3.21Å; I394-M406 HydrophobicContact CD1-CG 4.21Å; I394-M406 HydrophobicContact CD1-SD 3.97Å; I394-M406 PolarHBondContact N-O 3.47Å; L396-M406 HydrophobicContact CD1-CB 3.89Å; L396-M406 HydrophobicContact CG-CB 4.49Å; M406-V408 HydrophobicContact CG-CG2 4.19Å; M406-L415 HydrophobicContact CG-CD1 3.6Å; M406-L415 HydrophobicContact SD-CD1 3.98Å; M406-L416 CarbonylContact C-O 3.57Å; M406-L416 WeakPolarHBondContact CA-O 3.39Å; M406-K417 HydrophobicContact CE-CD 4.49Å
407	A	97.9	Very high	93.4	Very high	0 Å²	0	54 Å²	54	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	141.5	172.6	0	0	0	0	0	110.3	F381 I385 I391 K392 E393 L416	F381-A407 HydrophobicContact CE2-CB 4.09Å; F381-A407 HydrophobicContact CZ-CB 3.78Å; I385-A407 HydrophobicContact CG2-CB 3.61Å; I391-A407 HydrophobicContact CG2-CB 3.59Å; K392-A407 CarbonylContact O-C 3.45Å; K392-A407 WeakPolarHBondContact O-CA 3.39Å; E393-A407 HydrophobicContact CB-CB 4.32Å; A407-L416 HydrophobicContact CB-CB 4.4Å; A407-L416 PolarHBondContact N-O 2.69Å; A407-L416 PolarHBondContact O-N 2.9Å
408	V	98.2	Very high	93.9	Very high	36 Å²	36	46 Å²	46	22%	0.218	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	135.5	-167.4	-173.7	0	0	0	0	110.8	K392 I394 M406 T410 I414 L415	K392-V408 PolarHBondContact N-O 3.26Å; K392-V408 PolarHBondContact O-N 3.21Å; I394-V408 HydrophobicContact CD1-CB 4.45Å; I394-V408 HydrophobicContact CD1-CG2 3.59Å; I394-V408 HydrophobicContact CG1-CG2 4.3Å; M406-V408 HydrophobicContact CG-CG2 4.19Å; V408-T410 HydrophobicContact CG1-CG2 3.81Å; V408-I414 WeakPolarHBondContact CA-O 3.32Å; V408-L415 HydrophobicContact CG2-CD1 3.69Å
409	D	98.2	Very high	94.4	Very high	4 Å²	4	46.6 Å²	46.6	2%	0.021	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	107.1	158.3	178.7	-18.7	0	0	0	107.7	E390 I391 T411 H412 N413 I414	E390-D409 WeakPolarHBondContact CB-OD2 3.39Å; I391-D409 HydrophobicContact CG1-CB 3.98Å; D409-T411 VanDerWaalsContact C-N 3.32Å; D409-T411 WeakPolarHBondContact OD1-CA 3.14Å; D409-T411 VanDerWaalsContact OD1-CB 3.31Å; D409-T411 WeakPolarHBondContact OD1-CB 3.45Å; D409-T411 PolarHBondContact OD1-N 3.18Å; D409-H412 PolarHBondContact OD1-N 3.44Å; D409-H412 IonicContact OD1-ND1 2.78Å; D409-H412 PolarHBondContact OD1-ND1 2.63Å; D409-H412 IonicContact OD2-CE1 2.72Å; D409-H412 IonicContact OD2-CG 3.38Å; D409-H412 IonicContact OD2-ND1 3.56Å; D409-H412 PolarHBondContact OD2-ND1 2.68Å; D409-N413 WeakPolarHBondContact O-CA 3.48Å; D409-N413 PolarHBondContact O-N 2.78Å; D409-I414 HydrophobicContact CB-CB 4.07Å; D409-I414 HydrophobicContact CB-CD1 4.29Å; D409-I414 HydrophobicContact CB-CG1 4.3Å; D409-I414 PolarHBondContact N-O 2.97Å; D409-I414 PolarHBondContact O-N 3.06Å
410	T	97.5	Very high	94.9	Very high	123 Å²	123	43.6 Å²	43.6	76%	0.755	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.5	-23.4	-178.7	51.4	0	0	0	0	112.9	V408	V408-T410 HydrophobicContact CG1-CG2 3.81Å
411	T	97.6	Very high	95.5	Very high	113 Å²	113	36 Å²	36	69%	0.693	19%	0.194	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.5	-42	-179.1	-54.4	0	0	0	0	110.5	D409	D409-T411 VanDerWaalsContact C-N 3.32Å; D409-T411 WeakPolarHBondContact OD1-CA 3.14Å; D409-T411 VanDerWaalsContact OD1-CB 3.31Å; D409-T411 WeakPolarHBondContact OD1-CB 3.45Å; D409-T411 PolarHBondContact OD1-N 3.18Å
412	H	97.9	Very high	95.9	Very high	51 Å²	51	32.9 Å²	32.9	24%	0.236	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102	3	-178.4	-55.5	99.2	0	0	0	113.3	T361 R365 N366 D409 I414	T361-H412 HydrophobicContact CG2-CB 3.97Å; T361-H412 VanDerWaalsContact CG2-ND1 3.3Å; T361-H412 WeakPolarHBondContact CG2-ND1 3.47Å; R365-H412 HydrophobicContact CG-CB 4.42Å; R365-H412 WeakPolarHBondContact CG-O 3.46Å; N366-H412 PolarHBondContact N-O 3.07Å; D409-H412 PolarHBondContact OD1-N 3.44Å; D409-H412 IonicContact OD1-ND1 2.78Å; D409-H412 PolarHBondContact OD1-ND1 2.63Å; D409-H412 IonicContact OD2-CE1 2.72Å; D409-H412 IonicContact OD2-CG 3.38Å; D409-H412 IonicContact OD2-ND1 3.56Å; D409-H412 PolarHBondContact OD2-ND1 2.68Å; H412-I414 HydrophobicContact CB-CD1 3.75Å; H412-I414 HydrophobicContact CB-CG1 3.82Å
413	N	97.9	Very high	96.4	Very high	103 Å²	103	33 Å²	33	55%	0.551	18%	0.178	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.3	52	-179.6	-173.8	36.6	0	0	0	112	N366 K367 D409	N366-N413 CarbonylContact C-O 3.6Å; N366-N413 WeakPolarHBondContact CA-O 3.49Å; N366-N413 PolarHBondContact N-O 2.93Å; N366-N413 WeakPolarHBondContact OD1-CB 3.36Å; N366-N413 PolarHBondContact OD1-ND2 2.52Å; N366-N413 VanDerWaalsContact OD1-ND2 3.15Å; K367-N413 PolarHBondContact N-O 3.11Å; D409-N413 WeakPolarHBondContact O-CA 3.48Å; D409-N413 PolarHBondContact O-N 2.78Å
414	I	98.6	Very high	96.8	Very high	1 Å²	1	32.8 Å²	32.8	1%	0.005	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	132.4	-179.9	-48.2	175.2	0	0	0	108.6	T361 L364 K367 I391 V408 D409 H412 L416	T361-I414 HydrophobicContact CG2-CD1 4.04Å; L364-I414 HydrophobicContact CB-CD1 3.86Å; L364-I414 HydrophobicContact CB-CG1 4.3Å; L364-I414 HydrophobicContact CB-CG2 3.98Å; L364-I414 HydrophobicContact CD1-CG2 4.45Å; L364-I414 WeakPolarHBondContact O-CG1 3.24Å; K367-I414 WeakPolarHBondContact O-CA 3.45Å; I391-I414 HydrophobicContact CD1-CD1 4.48Å; I391-I414 HydrophobicContact CD1-CG2 4.09Å; V408-I414 WeakPolarHBondContact CA-O 3.32Å; D409-I414 HydrophobicContact CB-CB 4.07Å; D409-I414 HydrophobicContact CB-CD1 4.29Å; D409-I414 HydrophobicContact CB-CG1 4.3Å; D409-I414 PolarHBondContact N-O 2.97Å; D409-I414 PolarHBondContact O-N 3.06Å; H412-I414 HydrophobicContact CB-CD1 3.75Å; H412-I414 HydrophobicContact CB-CG1 3.82Å; I414-L416 HydrophobicContact CG2-CD2 4.31Å
415	L	98.4	Very high	96.8	Very high	39 Å²	39	32 Å²	32	20%	0.204	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	115.9	176.1	175.9	59	0	0	0	110.2	K367 V368 I369 M406 V408 K417	K367-L415 PolarHBondContact O-N 3.43Å; V368-L415 CarbonylContact C-O 3.59Å; V368-L415 WeakPolarHBondContact CA-O 3.45Å; V368-L415 HydrophobicContact CB-CB 4.49Å; V368-L415 HydrophobicContact CG1-CB 4.16Å; V368-L415 HydrophobicContact CG1-CD2 3.92Å; V368-L415 HydrophobicContact CG1-CG 4.04Å; V368-L415 HydrophobicContact CG2-CB 4.19Å; V368-L415 HydrophobicContact CG2-CD2 4.38Å; I369-L415 PolarHBondContact N-O 3.32Å; M406-L415 HydrophobicContact CG-CD1 3.6Å; M406-L415 HydrophobicContact SD-CD1 3.98Å; V408-L415 HydrophobicContact CG2-CD1 3.69Å; L415-K417 HydrophobicContact CD1-CG 4.23Å; L415-K417 HydrophobicContact CG-CG 4.17Å
416	L	98.4	Very high	96.6	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	134.7	171.3	-54.8	-173.1	0	0	0	109.2	I369 F381 L384 I385 I391 M406 A407 I414	I369-L416 HydrophobicContact CB-CD2 3.74Å; I369-L416 HydrophobicContact CD1-CD2 3.39Å; I369-L416 HydrophobicContact CG1-CD2 3.71Å; F381-L416 HydrophobicContact CD2-CB 3.91Å; F381-L416 HydrophobicContact CE2-CB 3.69Å; L384-L416 HydrophobicContact CB-CD1 3.79Å; L384-L416 HydrophobicContact CD1-CD1 4.1Å; L384-L416 HydrophobicContact CD1-CD2 4.38Å; I385-L416 HydrophobicContact CG2-CD1 3.97Å; I391-L416 HydrophobicContact CD1-CD1 4.05Å; I391-L416 HydrophobicContact CD1-CG 4.47Å; I391-L416 HydrophobicContact CG2-CD1 3.94Å; I391-L416 HydrophobicContact CG2-CG 4.17Å; M406-L416 CarbonylContact C-O 3.57Å; M406-L416 WeakPolarHBondContact CA-O 3.39Å; A407-L416 HydrophobicContact CB-CB 4.4Å; A407-L416 PolarHBondContact N-O 2.69Å; A407-L416 PolarHBondContact O-N 2.9Å; I414-L416 HydrophobicContact CG2-CD2 4.31Å
417	K	98.1	Very high	96.1	Very high	72 Å²	72	30.6 Å²	30.6	31%	0.313	16%	0.163	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	137.9	173.1	-57.7	-176.3	-168.4	170.6	0	109.8	I369 M371 F405 M406 L415	I369-K417 PolarHBondContact O-N 3.36Å; M371-K417 WeakPolarHBondContact CB-O 3.33Å; M371-K417 PolarHBondContact N-O 2.97Å; F405-K417 WeakPolarHBondContact O-CA 3.43Å; M406-K417 HydrophobicContact CE-CD 4.49Å; L415-K417 HydrophobicContact CD1-CG 4.23Å; L415-K417 HydrophobicContact CG-CG 4.17Å
418	Y	97.4	Very high	95.7	Very high	2 Å²	2	33 Å²	33	1%	0.008	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	135.8	166.1	164.7	-95.8	0	0	0	109.7	M371 D374 V377 R378 V402 P404 F405	M371-Y418 HydrophobicContact CB-CD2 4.35Å; M371-Y418 CarbonylContact O-C 3.52Å; M371-Y418 WeakPolarHBondContact O-CA 3.45Å; D374-Y418 PolarHBondContact O-OH 2.67Å; V377-Y418 HydrophobicContact CG1-CD2 4.07Å; V377-Y418 HydrophobicContact CG1-CE2 3.78Å; R378-Y418 HydrophobicContact CB-CD1 4.36Å; R378-Y418 HydrophobicContact CB-CD2 4.01Å; R378-Y418 HydrophobicContact CB-CE1 3.94Å; R378-Y418 HydrophobicContact CB-CE2 3.57Å; R378-Y418 HydrophobicContact CB-CG 4.38Å; R378-Y418 HydrophobicContact CG-CD1 4.11Å; R378-Y418 HydrophobicContact CG-CE1 3.89Å; R378-Y418 HydrophobicContact CG-CE2 4.35Å; R378-Y418 HydrophobicContact CG-CG 4.43Å; V402-Y418 WeakPolarHBondContact O-CE1 3.42Å; P404-Y418 CarbonylContact C-O 3.5Å; P404-Y418 VanDerWaalsContact CA-O 3.29Å; P404-Y418 WeakPolarHBondContact CA-O 3.37Å; F405-Y418 AromaticContact CD2-CD1 3.5Å; F405-Y418 HydrophobicContact CD2-CD1 3.5Å; F405-Y418 HydrophobicContact CD2-CE1 4.24Å; F405-Y418 HydrophobicContact CD2-CG 4.31Å; F405-Y418 AromaticContact CE2-CD1 3.88Å; F405-Y418 HydrophobicContact CE2-CD1 3.88Å; F405-Y418 HydrophobicContact CE2-CE1 4.16Å; F405-Y418 HydrophobicContact CG-CD1 4.29Å; F405-Y418 PolarHBondContact N-O 2.79Å; F405-Y418 PolarHBondContact O-N 3.41Å
419	R	95.4	Very high	95.5	Very high	42 Å²	42	34.3 Å²	34.3	16%	0.158	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	135.7	170.8	-175.4	177.6	-87.4	-78.4	-0.6	109.5	M371 Y372 G373 E434 E441	M371-R419 PolarHBondContact O-N 3.13Å; Y372-R419 WeakPolarHBondContact CA-O 3.44Å; Y372-R419 HydrophobicContact CD1-CB 4.11Å; Y372-R419 HydrophobicContact CE1-CB 4.36Å; G373-R419 PolarHBondContact N-O 3.27Å; G373-R419 VanDerWaalsContact N-O 3.13Å; R419-E434 IonicContact CZ-OE2 3.93Å; R419-E434 PolarHBondContact NH1-O 3.43Å; R419-E434 IonicContact NH1-OE2 2.69Å; R419-E434 PolarHBondContact NH1-OE2 3.2Å; R419-E434 IonicContact NH2-OE2 3.56Å; R419-E434 PolarHBondContact NH2-OE2 3.4Å; R419-E441 IonicContact NE-OE2 3.45Å
420	C	95.1	Very high	95.3	Very high	4 Å²	4	34.2 Å²	34.2	3%	0.027	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	148.5	173.2	62.3	0	0	0	0	111.8	G373 V402 F427	G373-C420 CarbonylContact O-C 3.57Å; G373-C420 WeakPolarHBondContact O-CA 3.37Å; V402-C420 WeakPolarHBondContact O-CB 3.4Å; V402-C420 PolarHBondContact O-SG 3.01Å; V402-C420 VanDerWaalsContact O-SG 3.4Å; C420-F427 HydrophobicContact CB-CE2 4.38Å; C420-F427 HydrophobicContact CB-CZ 3.59Å
421	H	95.1	Very high	95.1	Very high	5 Å²	5	33 Å²	33	2%	0.023	18%	0.176	C	C	.	.	P	Polyproline II helix	trans	-67	154.3	172	70.9	77.6	0	0	0	110.9	G373 P424 I425 V438 I457 H460 F461	G373-H421 VanDerWaalsContact C-CD2 3.49Å; G373-H421 PolarHBondContact O-CD2 2.89Å; G373-H421 PolarHBondContact O-N 2.9Å; H421-P424 PolarHBondContact CE1-O 2.9Å; H421-I425 WeakPolarHBondContact O-CD1 3.37Å; H421-I425 VanDerWaalsContact O-CG1 3.26Å; H421-I425 WeakPolarHBondContact O-CG1 3.43Å; H421-V438 HydrophobicContact CB-CG2 3.67Å; H421-I457 HydrophobicContact CB-CG1 4.49Å; H421-H460 AromaticContact CD2-ND1 3.93Å; H421-H460 AromaticContact CE1-CG 3.91Å; H421-H460 AromaticContact CE1-ND1 3.23Å; H421-H460 PolarHBondContact CE1-ND1 2.99Å; H421-H460 AromaticContact NE2-CE1 3.73Å; H421-H460 AromaticContact NE2-CG 3.59Å; H421-H460 AromaticContact NE2-ND1 2.83Å; H421-H460 PolarHBondContact NE2-ND1 2.99Å; H421-F461 AromaticContact CE1-CE2 3.6Å
422	G	94.1	Very high	94.9	Very high	1 Å²	1	29.3 Å²	29.3	1%	0.01	16%	0.155	C	C	.	.	S	Bend	trans	-63	171.3	175.7	0	0	0	0	0	113.9	R436	G422-R436 WeakPolarHBondContact CA-O 3.4Å; G422-R436 PolarHBondContact N-O 3Å
423	P	94.4	Very high	94.6	Very high	4 Å²	4	30 Å²	30	3%	0.026	17%	0.165	C	C	.	.	S	Bend	trans	-58.9	149.2	-169.5	27.8	-35.8	0	0	0	113	W256 Y437 R472	W256-P423 HydrophobicContact CD2-CB 3.69Å; W256-P423 HydrophobicContact CD2-CG 3.68Å; W256-P423 HydrophobicContact CE3-CB 3.67Å; W256-P423 HydrophobicContact CE3-CG 3.96Å; W256-P423 HydrophobicContact CG-CB 4.46Å; W256-P423 HydrophobicContact CG-CG 3.94Å; W256-P423 HydrophobicContact CH2-CB 3.76Å; W256-P423 HydrophobicContact CZ2-CB 3.78Å; W256-P423 HydrophobicContact CZ3-CB 3.71Å; W256-P423 HydrophobicContact CZ3-CG 4.5Å; P423-Y437 HydrophobicContact CG-CE1 4.12Å; P423-R472 PolarHBondContact O-NH2 3.06Å
424	P	93.9	Very high	94.3	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	15%	0.149	C	C	.	.	P	Polyproline II helix	cis	-80.7	136.7	8.6	31.3	-34.3	0	0	0	113.7	F218 W256 H421 H460 F461 F464	F218-P424 HydrophobicContact CE1-CB 4.1Å; F218-P424 HydrophobicContact CE2-CB 3.8Å; F218-P424 HydrophobicContact CZ-CB 3.52Å; W256-P424 HydrophobicContact CH2-CB 4.27Å; W256-P424 HydrophobicContact CZ3-CB 4.07Å; H421-P424 PolarHBondContact CE1-O 2.9Å; P424-H460 WeakPolarHBondContact O-CB 3.29Å; P424-F461 HydrophobicContact CG-CE1 4.33Å; P424-F464 HydrophobicContact CB-CE2 3.89Å; P424-F464 HydrophobicContact CB-CZ 4.04Å; P424-F464 HydrophobicContact CG-CD2 4.22Å; P424-F464 HydrophobicContact CG-CE2 3.51Å; P424-F464 HydrophobicContact CG-CZ 3.96Å
425	I	94.4	Very high	93.9	Very high	1 Å²	1	28.2 Å²	28.2	1%	0.005	15%	0.154	C	C	.	.			trans	-121.3	128.9	177.3	-60.9	163.2	0	0	0	109.6	F218 H272 H421 F427 V430 L435	F218-I425 VanDerWaalsContact CE1-O 3.23Å; F218-I425 WeakPolarHBondContact CE1-O 3.36Å; H272-I425 PolarHBondContact NE2-N 3.2Å; H272-I425 PolarHBondContact NE2-O 3.11Å; H421-I425 WeakPolarHBondContact O-CD1 3.37Å; H421-I425 VanDerWaalsContact O-CG1 3.26Å; H421-I425 WeakPolarHBondContact O-CG1 3.43Å; I425-F427 HydrophobicContact CG2-CD1 4.09Å; I425-F427 HydrophobicContact CG2-CD2 3.55Å; I425-F427 HydrophobicContact CG2-CE1 3.85Å; I425-F427 HydrophobicContact CG2-CE2 3.24Å; I425-F427 HydrophobicContact CG2-CG 3.97Å; I425-F427 HydrophobicContact CG2-CZ 3.41Å; I425-F427 VanDerWaalsContact CG2-CZ 3.41Å; I425-V430 HydrophobicContact CD1-CB 4.39Å; I425-V430 HydrophobicContact CD1-CG1 4.49Å; I425-V430 HydrophobicContact CD1-CG2 3.79Å; I425-V430 HydrophobicContact CG2-CG2 4.1Å; I425-L435 HydrophobicContact CD1-CD2 3.7Å
426	R	92.6	Very high	93.6	Very high	9 Å²	9	32.1 Å²	32.1	3%	0.034	17%	0.166	C	C	.	.			trans	-107.6	6.1	-169.9	-57.1	-176.3	-174.4	-173.1	-4.9	116	V216 F218 K274 H460 S462 T463 Y509 N510	V216-R426 HydrophobicContact CG1-CG 4.42Å; F218-R426 HydrophobicContact CE1-CG 4.11Å; F218-R426 HydrophobicContact CZ-CG 4.19Å; K274-R426 HydrophobicContact CD-CB 4.45Å; K274-R426 WeakPolarHBondContact CD-O 3.34Å; K274-R426 WeakPolarHBondContact CE-O 3.23Å; K274-R426 PolarHBondContact NZ-O 3.46Å; R426-H460 HydrophobicContact CG-CB 4.04Å; R426-H460 PolarHBondContact NE-O 3.13Å; R426-H460 PolarHBondContact NH2-O 3.3Å; R426-S462 PolarHBondContact NH1-OG 3.17Å; R426-T463 PolarHBondContact NH2-OG1 2.84Å; R426-Y509 PolarHBondContact NH1-O 3.19Å; R426-N510 PolarHBondContact NH1-OD1 2.85Å
427	F	87.7	Confident	93.5	Very high	33 Å²	33	32.7 Å²	32.7	15%	0.145	17%	0.168	C	C	.	.	S	Bend	trans	-98.6	-145.6	173.3	50.7	-117.8	0	0	0	111.7	N401 V402 C420 I425 V430 H460	N401-F427 WeakPolarHBondContact O-CE2 3.33Å; V402-F427 HydrophobicContact CB-CE2 4.08Å; V402-F427 HydrophobicContact CG1-CE2 4.15Å; V402-F427 HydrophobicContact CG2-CD2 3.97Å; V402-F427 HydrophobicContact CG2-CE2 3.8Å; C420-F427 HydrophobicContact CB-CE2 4.38Å; C420-F427 HydrophobicContact CB-CZ 3.59Å; I425-F427 HydrophobicContact CG2-CD1 4.09Å; I425-F427 HydrophobicContact CG2-CD2 3.55Å; I425-F427 HydrophobicContact CG2-CE1 3.85Å; I425-F427 HydrophobicContact CG2-CE2 3.24Å; I425-F427 HydrophobicContact CG2-CG 3.97Å; I425-F427 HydrophobicContact CG2-CZ 3.41Å; I425-F427 VanDerWaalsContact CG2-CZ 3.41Å; F427-V430 HydrophobicContact CE2-CG2 4.2Å; F427-H460 AromaticContact CD1-CE1 3.53Å; F427-H460 AromaticContact CD1-NE2 3.52Å; F427-H460 AromaticContact CE1-CE1 3.37Å; F427-H460 WeakPolarHBondContact CE1-CE1 3.39Å; F427-H460 AromaticContact CE1-NE2 3.84Å
428	S	89.8	Confident	93.5	Very high	49 Å²	49	29.4 Å²	29.4	34%	0.343	16%	0.155	S	C	.	.	S	Bend	trans	-57.5	160	177.2	-55.7	0	0	0	0	114.4
429	T	93.2	Very high	93.5	Very high	65 Å²	65	29.3 Å²	29.3	40%	0.399	15%	0.154	S	C	.	.			trans	-57.8	136.5	178.2	-57.9	0	0	0	0	112.6	N271 H272 A273	N271-T429 HydrophobicContact CB-CG2 3.67Å; N271-T429 WeakPolarHBondContact ND2-CG2 3.34Å; H272-T429 CarbonylContact O-C 3.55Å; H272-T429 WeakPolarHBondContact O-CA 3.24Å; H272-T429 WeakPolarHBondContact O-CG2 3.35Å; A273-T429 HydrophobicContact CB-CG2 4.24Å
430	V	94.2	Very high	93.5	Very high	2 Å²	2	29.2 Å²	29.2	1%	0.012	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	132.7	180	-170.5	0	0	0	0	109.2	N271 H272 V402 I425 F427 E434 L435	N271-V430 CarbonylContact C-O 3.55Å; N271-V430 VanDerWaalsContact CA-O 3.23Å; N271-V430 WeakPolarHBondContact CA-O 3.34Å; N271-V430 VanDerWaalsContact CB-O 3.26Å; N271-V430 WeakPolarHBondContact CB-O 3.45Å; H272-V430 PolarHBondContact N-O 2.83Å; H272-V430 PolarHBondContact O-N 2.73Å; V402-V430 HydrophobicContact CB-CG2 4.5Å; V402-V430 HydrophobicContact CG1-CB 3.96Å; V402-V430 HydrophobicContact CG1-CG1 3.71Å; V402-V430 HydrophobicContact CG1-CG2 3.44Å; V402-V430 VanDerWaalsContact CG1-CG2 3.44Å; V402-V430 HydrophobicContact CG2-CG2 4.25Å; I425-V430 HydrophobicContact CD1-CB 4.39Å; I425-V430 HydrophobicContact CD1-CG1 4.49Å; I425-V430 HydrophobicContact CD1-CG2 3.79Å; I425-V430 HydrophobicContact CG2-CG2 4.1Å; F427-V430 HydrophobicContact CE2-CG2 4.2Å; V430-E434 HydrophobicContact CG1-CB 4.04Å; V430-L435 HydrophobicContact CB-CD2 3.86Å; V430-L435 HydrophobicContact CG1-CD2 3.71Å; V430-L435 HydrophobicContact CG1-CG 4.31Å
431	L	93.6	Very high	93.6	Very high	98 Å²	98	31.2 Å²	31.2	51%	0.513	17%	0.166	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.4	144.2	175.1	-66.8	176.8	0	0	0	110.6	I270 S433 E434 L435	I270-L431 HydrophobicContact CG2-CD2 4.45Å; L431-S433 PolarHBondContact O-N 3.47Å; L431-S433 VanDerWaalsContact O-N 3.16Å; L431-E434 HydrophobicContact CB-CG 4.38Å; L431-E434 PolarHBondContact O-N 2.79Å; L431-L435 PolarHBondContact O-N 3.4Å
432	S	93.5	Very high	93.8	Very high	35 Å²	35	31 Å²	31	25%	0.245	17%	0.165	C	C	.	.	G	3₁₀ helix	trans	-56.8	-33.3	179.7	-64	0	0	0	0	112.6	R269 I270 N271 E434 L435	R269-S432 PolarHBondContact O-OG 3.16Å; I270-S432 PolarHBondContact O-N 3.31Å; I270-S432 PolarHBondContact O-OG 2.85Å; N271-S432 PolarHBondContact N-OG 2.57Å; S432-E434 PolarHBondContact O-N 3.3Å; S432-L435 PolarHBondContact O-N 3.01Å
433	S	90.1	Very high	93.9	Very high	64 Å²	64	33.7 Å²	33.7	45%	0.448	18%	0.179	S	C	.	.	G	3₁₀ helix	trans	-63.3	-25.6	177	61.4	0	0	0	0	113.6	L431 R436	L431-S433 PolarHBondContact O-N 3.47Å; L431-S433 VanDerWaalsContact O-N 3.16Å; S433-R436 PolarHBondContact O-NE 3.22Å; S433-R436 PolarHBondContact O-NH2 2.74Å
434	E	91.8	Very high	93.9	Very high	44 Å²	44	36.7 Å²	36.7	21%	0.206	21%	0.211	C	C	.	.	G	3₁₀ helix	trans	-99.2	-2	-177.8	-57.3	-46	123.7	0	0	113.4	R419 V430 L431 S432 R436	R419-E434 IonicContact CZ-OE2 3.93Å; R419-E434 PolarHBondContact NH1-O 3.43Å; R419-E434 IonicContact NH1-OE2 2.69Å; R419-E434 PolarHBondContact NH1-OE2 3.2Å; R419-E434 IonicContact NH2-OE2 3.56Å; R419-E434 PolarHBondContact NH2-OE2 3.4Å; V430-E434 HydrophobicContact CG1-CB 4.04Å; L431-E434 HydrophobicContact CB-CG 4.38Å; L431-E434 PolarHBondContact O-N 2.79Å; S432-E434 PolarHBondContact O-N 3.3Å; E434-R436 PolarHBondContact O-N 3.21Å
435	L	91.3	Very high	94.1	Very high	23 Å²	23	38 Å²	38	12%	0.12	22%	0.218	C	C	.	.			trans	-75.2	67.5	174.7	-65.9	175.9	0	0	0	111.4	H272 I425 V430 L431 S432	H272-L435 HydrophobicContact CB-CD1 3.6Å; H272-L435 HydrophobicContact CB-CD2 3.8Å; H272-L435 HydrophobicContact CB-CG 4.25Å; I425-L435 HydrophobicContact CD1-CD2 3.7Å; V430-L435 HydrophobicContact CB-CD2 3.86Å; V430-L435 HydrophobicContact CG1-CD2 3.71Å; V430-L435 HydrophobicContact CG1-CG 4.31Å; L431-L435 PolarHBondContact O-N 3.4Å; S432-L435 PolarHBondContact O-N 3.01Å
436	R	92.4	Very high	94.1	Very high	121 Å²	121	43.2 Å²	43.2	46%	0.457	25%	0.254	S	S	.	.			trans	-94.7	131.1	-179.9	-55.7	-64.6	176.3	145.3	-0.4	110.5	G422 S433 E434 E441	G422-R436 WeakPolarHBondContact CA-O 3.4Å; G422-R436 PolarHBondContact N-O 3Å; S433-R436 PolarHBondContact O-NE 3.22Å; S433-R436 PolarHBondContact O-NH2 2.74Å; E434-R436 PolarHBondContact O-N 3.21Å; R436-E441 HydrophobicContact CB-CG 3.9Å; R436-E441 VanDerWaalsContact CB-OE1 3.25Å; R436-E441 WeakPolarHBondContact CB-OE1 3.12Å; R436-E441 WeakPolarHBondContact CG-OE1 3.45Å
437	Y	96.3	Very high	94.3	Very high	12 Å²	12	43.5 Å²	43.5	5%	0.047	26%	0.26	C	S	.	.			trans	-78.9	141.4	173	-68.3	-56.5	0	0	0	111.3	D249 E254 P423 F439 N440 E441	D249-Y437 HydrophobicContact CB-CD2 3.91Å; D249-Y437 HydrophobicContact CB-CE2 3.76Å; E254-Y437 HydrophobicContact CB-CE2 4.44Å; E254-Y437 HydrophobicContact CG-CE1 4.17Å; E254-Y437 HydrophobicContact CG-CE2 4.38Å; P423-Y437 HydrophobicContact CG-CE1 4.12Å; Y437-F439 VanDerWaalsContact C-N 3.29Å; Y437-F439 HydrophobicContact CD1-CE1 4.44Å; Y437-F439 HydrophobicContact CD1-CZ 4.39Å; Y437-F439 HydrophobicContact CD2-CE1 4.46Å; Y437-F439 HydrophobicContact CD2-CE2 4.21Å; Y437-F439 AromaticContact CD2-CZ 3.66Å; Y437-F439 HydrophobicContact CD2-CZ 3.66Å; Y437-F439 AromaticContact CG-CE1 3.94Å; Y437-F439 HydrophobicContact CG-CE1 3.94Å; Y437-F439 HydrophobicContact CG-CE2 4.19Å; Y437-F439 AromaticContact CG-CZ 3.53Å; Y437-F439 HydrophobicContact CG-CZ 3.53Å; Y437-F439 PolarHBondContact O-N 2.68Å; Y437-N440 WeakPolarHBondContact O-CB 3.26Å; Y437-N440 PolarHBondContact O-N 2.99Å; Y437-E441 PolarHBondContact O-N 3.33Å; Y437-E441 VanDerWaalsContact O-N 3.17Å
438	V	97.6	Very high	94.8	Very high	4 Å²	4	42.6 Å²	42.6	2%	0.024	26%	0.26	C	S	.	.	H	α-helix	trans	-55.5	-43.6	-176.5	177.9	0	0	0	0	111.7	Y372 H421 N440 E441 L442 L455 I457 I476	Y372-V438 HydrophobicContact CG-CG1 4.24Å; H421-V438 HydrophobicContact CB-CG2 3.67Å; V438-N440 VanDerWaalsContact C-N 3.3Å; V438-N440 PolarHBondContact O-N 2.76Å; V438-E441 PolarHBondContact O-N 3.27Å; V438-L442 HydrophobicContact CG1-CD1 3.94Å; V438-L442 HydrophobicContact CG1-CG 4.13Å; V438-L442 WeakPolarHBondContact O-CB 3.37Å; V438-L442 VanDerWaalsContact O-CG 3.24Å; V438-L442 WeakPolarHBondContact O-CG 3.11Å; V438-L442 PolarHBondContact O-N 3.21Å; V438-L455 HydrophobicContact CG1-CD2 3.69Å; V438-I457 HydrophobicContact CB-CD1 4.27Å; V438-I457 HydrophobicContact CG1-CD1 4.28Å; V438-I457 HydrophobicContact CG2-CD1 3.8Å; V438-I476 HydrophobicContact CB-CD1 4.34Å; V438-I476 HydrophobicContact CB-CG1 4.19Å; V438-I476 HydrophobicContact CG1-CG1 4.28Å
439	F	97.3	Very high	95.1	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-61.6	-34.5	178.3	52.6	-106.2	0	0	0	113.5	D249 T252 E254 Y437 L442 D443 H475 I476 A479	D249-F439 HydrophobicContact CB-CZ 4.36Å; D249-F439 WeakPolarHBondContact OD2-CE2 3.33Å; T252-F439 HydrophobicContact CG2-CD1 4.46Å; T252-F439 HydrophobicContact CG2-CD2 3.45Å; T252-F439 VanDerWaalsContact CG2-CD2 3.45Å; T252-F439 HydrophobicContact CG2-CE1 4.28Å; T252-F439 HydrophobicContact CG2-CE2 3.29Å; T252-F439 HydrophobicContact CG2-CG 4.08Å; T252-F439 HydrophobicContact CG2-CZ 3.74Å; T252-F439 VanDerWaalsContact OG1-CE2 3.25Å; T252-F439 WeakPolarHBondContact OG1-CE2 3.44Å; T252-F439 WeakPolarHBondContact OG1-CZ 3.35Å; E254-F439 HydrophobicContact CB-CE1 4.37Å; E254-F439 HydrophobicContact CB-CZ 4.06Å; Y437-F439 VanDerWaalsContact C-N 3.29Å; Y437-F439 HydrophobicContact CD1-CE1 4.44Å; Y437-F439 HydrophobicContact CD1-CZ 4.39Å; Y437-F439 HydrophobicContact CD2-CE1 4.46Å; Y437-F439 HydrophobicContact CD2-CE2 4.21Å; Y437-F439 AromaticContact CD2-CZ 3.66Å; Y437-F439 HydrophobicContact CD2-CZ 3.66Å; Y437-F439 AromaticContact CG-CE1 3.94Å; Y437-F439 HydrophobicContact CG-CE1 3.94Å; Y437-F439 HydrophobicContact CG-CE2 4.19Å; Y437-F439 AromaticContact CG-CZ 3.53Å; Y437-F439 HydrophobicContact CG-CZ 3.53Å; Y437-F439 PolarHBondContact O-N 2.68Å; F439-L442 PolarHBondContact O-N 3.24Å; F439-D443 PolarHBondContact O-N 3.45Å; F439-H475 HydrophobicContact CB-CB 4.42Å; F439-H475 HydrophobicContact CD1-CB 3.53Å; F439-H475 HydrophobicContact CE1-CB 3.94Å; F439-H475 HydrophobicContact CG-CB 4.07Å; F439-I476 HydrophobicContact CD1-CG1 4.47Å; F439-A479 HydrophobicContact CB-CB 3.77Å
440	N	96	Very high	95.3	Very high	40 Å²	40	43.9 Å²	43.9	21%	0.214	26%	0.264	C	S	.	.	H	α-helix	trans	-69.5	-41.9	176.9	-70.4	-20.6	0	0	0	110.7	D249 Y437 V438 L442 D443 G444	D249-N440 PolarHBondContact OD1-ND2 2.85Å; Y437-N440 WeakPolarHBondContact O-CB 3.26Å; Y437-N440 PolarHBondContact O-N 2.99Å; V438-N440 VanDerWaalsContact C-N 3.3Å; V438-N440 PolarHBondContact O-N 2.76Å; N440-L442 VanDerWaalsContact C-N 3.35Å; N440-D443 PolarHBondContact O-N 3.34Å; N440-G444 PolarHBondContact O-N 2.93Å
441	E	97	Very high	95.5	Very high	45 Å²	45	44.7 Å²	44.7	21%	0.21	27%	0.269	C	S	.	.	H	α-helix	trans	-64.7	-42.2	176	-61.6	-65.5	121.7	0	0	110.8	Y372 R419 R436 Y437 V438 D443 G444 L445	Y372-E441 HydrophobicContact CD1-CB 4.21Å; Y372-E441 HydrophobicContact CD1-CG 4.42Å; Y372-E441 HydrophobicContact CE1-CB 3.51Å; Y372-E441 HydrophobicContact CE1-CG 3.9Å; R419-E441 IonicContact NE-OE2 3.45Å; R436-E441 HydrophobicContact CB-CG 3.9Å; R436-E441 VanDerWaalsContact CB-OE1 3.25Å; R436-E441 WeakPolarHBondContact CB-OE1 3.12Å; R436-E441 WeakPolarHBondContact CG-OE1 3.45Å; Y437-E441 PolarHBondContact O-N 3.33Å; Y437-E441 VanDerWaalsContact O-N 3.17Å; V438-E441 PolarHBondContact O-N 3.27Å; E441-D443 PolarHBondContact O-N 3.39Å; E441-G444 PolarHBondContact O-N 2.86Å; E441-G444 VanDerWaalsContact O-N 3.15Å; E441-L445 WeakPolarHBondContact O-CG 3.18Å; E441-L445 PolarHBondContact O-N 3.49Å
442	L	98.2	Very high	95.7	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-61.1	-42.1	176.2	-70.6	175.3	0	0	0	112.2	Y372 V438 F439 N440 G444 L445 V453 I476 A479 L480 L483 R486	Y372-L442 HydrophobicContact CD2-CD2 4.49Å; Y372-L442 HydrophobicContact CE2-CD2 4.24Å; V438-L442 HydrophobicContact CG1-CD1 3.94Å; V438-L442 HydrophobicContact CG1-CG 4.13Å; V438-L442 WeakPolarHBondContact O-CB 3.37Å; V438-L442 VanDerWaalsContact O-CG 3.24Å; V438-L442 WeakPolarHBondContact O-CG 3.11Å; V438-L442 PolarHBondContact O-N 3.21Å; F439-L442 PolarHBondContact O-N 3.24Å; N440-L442 VanDerWaalsContact C-N 3.35Å; L442-G444 PolarHBondContact O-N 3.47Å; L442-L445 HydrophobicContact CD2-CD1 4.08Å; L442-L445 PolarHBondContact O-N 3.44Å; L442-V453 HydrophobicContact CD2-CG1 3.63Å; L442-V453 HydrophobicContact CD2-CG2 4.32Å; L442-I476 HydrophobicContact CD1-CG2 4.1Å; L442-A479 HydrophobicContact CB-CB 3.95Å; L442-A479 HydrophobicContact CD1-CB 4.1Å; L442-L480 HydrophobicContact CD1-CD2 3.68Å; L442-L480 HydrophobicContact CD1-CG 3.84Å; L442-L480 HydrophobicContact CD2-CD2 3.94Å; L442-L480 HydrophobicContact CG-CD2 4.42Å; L442-L483 HydrophobicContact CD2-CD2 4.2Å; L442-R486 PolarHBondContact O-NH2 3.4Å
443	D	96.7	Very high	96	Very high	59 Å²	59	38.5 Å²	38.5	32%	0.316	23%	0.234	S	C	.	.	H	α-helix	trans	-65.9	-26.1	176.9	-77.6	-33.8	0	0	0	112.7	F439 N440 E441 R482 R486	F439-D443 PolarHBondContact O-N 3.45Å; N440-D443 PolarHBondContact O-N 3.34Å; E441-D443 PolarHBondContact O-N 3.39Å; D443-R482 IonicContact OD1-CZ 3.4Å; D443-R482 IonicContact OD1-NE 3.71Å; D443-R482 PolarHBondContact OD1-NE 2.97Å; D443-R482 IonicContact OD1-NH2 2.65Å; D443-R482 PolarHBondContact OD1-NH2 2.96Å; D443-R482 VanDerWaalsContact OD1-NH2 3.16Å; D443-R482 IonicContact OD2-CZ 3.39Å; D443-R482 IonicContact OD2-NE 3.39Å; D443-R482 IonicContact OD2-NH2 3.84Å; D443-R482 PolarHBondContact OD2-NH2 2.84Å; D443-R486 PolarHBondContact O-NH2 3.28Å
444	G	95.5	Very high	96.4	Very high	67 Å²	67	35.4 Å²	35.4	69%	0.691	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.3	-7.8	174.3	0	0	0	0	0	115.4	N440 E441 L442	N440-G444 PolarHBondContact O-N 2.93Å; E441-G444 PolarHBondContact O-N 2.86Å; E441-G444 VanDerWaalsContact O-N 3.15Å; L442-G444 PolarHBondContact O-N 3.47Å
445	L	96.9	Very high	96.7	Very high	27 Å²	27	33.6 Å²	33.6	14%	0.141	20%	0.204	C	C	.	.			trans	-82.2	134.1	179.7	-67.7	177.8	0	0	0	112.1	Y372 E441 L442 G447 V453 L483 R486	Y372-L445 HydrophobicContact CE2-CD1 4.28Å; E441-L445 WeakPolarHBondContact O-CG 3.18Å; E441-L445 PolarHBondContact O-N 3.49Å; L442-L445 HydrophobicContact CD2-CD1 4.08Å; L442-L445 PolarHBondContact O-N 3.44Å; L445-G447 VanDerWaalsContact C-N 3.31Å; L445-V453 HydrophobicContact CD1-CG2 3.82Å; L445-L483 HydrophobicContact CB-CD1 4.2Å; L445-L483 HydrophobicContact CD1-CD2 4.43Å; L445-R486 PolarHBondContact O-NE 3.49Å; L445-R486 VanDerWaalsContact O-NE 3.13Å; L445-R486 PolarHBondContact O-NH2 2.96Å
446	S	95	Very high	97	Very high	111 Å²	111	32.6 Å²	32.6	78%	0.776	20%	0.199	S	C	*	.			trans	-65.5	-34.2	169.5	-50.2	0	0	0	0	112.5	A487	S446-A487 WeakPolarHBondContact O-CB 3.27Å
447	G	96.8	Very high	97.2	Very high	15 Å²	15	27.1 Å²	27.1	16%	0.155	18%	0.178	C	C	.	.			trans	76.6	-158.1	-175.2	0	0	0	0	0	113.5	L445 T451 T490	L445-G447 VanDerWaalsContact C-N 3.31Å; G447-T451 PolarHBondContact O-OG1 3.32Å; G447-T490 VanDerWaalsContact CA-OG1 3.3Å; G447-T490 WeakPolarHBondContact CA-OG1 3.34Å
448	G	97.2	Very high	97.2	Very high	13 Å²	13	26.7 Å²	26.7	13%	0.134	18%	0.177	C	C	.	.			trans	109.2	179.8	171	0	0	0	0	0	113.9	N450 T451 T490	G448-N450 PolarHBondContact O-N 2.9Å; G448-T451 PolarHBondContact O-N 2.86Å; G448-T490 PolarHBondContact N-OG1 2.84Å
449	P	96.5	Very high	97	Very high	71 Å²	71	26.8 Å²	26.8	46%	0.461	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-14.9	-170	24.8	-35.4	0	0	0	114.7	E489	P449-E489 WeakPolarHBondContact CA-O 3.17Å; P449-E489 HydrophobicContact CB-CB 3.89Å
450	N	97.6	Very high	96.9	Very high	71 Å²	71	27.2 Å²	27.2	38%	0.38	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103.1	-0.5	178.3	-74.2	-32.5	0	0	0	113.7	N366 K367 V368 G448	N366-N450 WeakPolarHBondContact O-CB 3.38Å; N366-N450 PolarHBondContact O-OD1 3.32Å; K367-N450 WeakPolarHBondContact CA-O 3.26Å; K367-N450 PolarHBondContact NZ-OD1 3.36Å; V368-N450 PolarHBondContact N-O 3.01Å; G448-N450 PolarHBondContact O-N 2.9Å
451	T	98.4	Very high	96.9	Very high	18 Å²	18	25.4 Å²	25.4	11%	0.11	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	125.1	-178.1	-62.1	0	0	0	0	110	G447 G448 V453 T490 L491	G447-T451 PolarHBondContact O-OG1 3.32Å; G448-T451 PolarHBondContact O-N 2.86Å; T451-V453 HydrophobicContact CG2-CG2 4.28Å; T451-T490 HydrophobicContact CG2-CG2 3.92Å; T451-L491 PolarHBondContact O-N 2.99Å
452	V	98.7	Very high	96.8	Very high	3 Å²	3	23.4 Å²	23.4	2%	0.018	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	131	170.3	-174.6	0	0	0	0	108	K367 V368 I369 N370 V454 L491 V493 L563 V567	K367-V452 HydrophobicContact CD-CG2 4.48Å; V368-V452 PolarHBondContact O-N 3.07Å; I369-V452 CarbonylContact C-O 3.58Å; I369-V452 WeakPolarHBondContact CA-O 3.49Å; I369-V452 HydrophobicContact CB-CB 4.45Å; I369-V452 HydrophobicContact CG1-CB 4.2Å; I369-V452 HydrophobicContact CG1-CG2 4.46Å; I369-V452 HydrophobicContact CG2-CB 4.24Å; I369-V452 HydrophobicContact CG2-CG1 4.28Å; N370-V452 PolarHBondContact N-O 2.97Å; V452-V454 HydrophobicContact CG1-CG2 4.2Å; V452-L491 CarbonylContact C-O 3.54Å; V452-L491 WeakPolarHBondContact CA-O 3.03Å; V452-L491 HydrophobicContact CG1-CB 4.4Å; V452-L491 HydrophobicContact CG1-CD2 4.2Å; V452-L491 HydrophobicContact CG2-CB 4.29Å; V452-L491 HydrophobicContact CG2-CD2 4.32Å; V452-V493 HydrophobicContact CG1-CG2 4.5Å; V452-L563 HydrophobicContact CG1-CD1 4.24Å; V452-V567 HydrophobicContact CG1-CG2 4.3Å; V452-V567 HydrophobicContact CG2-CG1 4.43Å; V452-V567 HydrophobicContact CG2-CG2 3.99Å
453	V	98.8	Very high	96.5	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	126.1	174.6	174.3	0	0	0	0	108.2	N370 Y372 L442 L445 T451 L455 L480 L483 T490 L491 V492 V493	N370-V453 CarbonylContact O-C 3.55Å; N370-V453 WeakPolarHBondContact O-CA 3.23Å; Y372-V453 HydrophobicContact CD2-CG1 4.34Å; Y372-V453 HydrophobicContact CE2-CG1 4.44Å; L442-V453 HydrophobicContact CD2-CG1 3.63Å; L442-V453 HydrophobicContact CD2-CG2 4.32Å; L445-V453 HydrophobicContact CD1-CG2 3.82Å; T451-V453 HydrophobicContact CG2-CG2 4.28Å; V453-L455 HydrophobicContact CG1-CD2 3.88Å; V453-L455 HydrophobicContact CG1-CG 4.11Å; V453-L480 HydrophobicContact CG1-CD2 4.5Å; V453-L483 HydrophobicContact CG2-CD2 4.05Å; V453-T490 HydrophobicContact CG2-CG2 4.13Å; V453-L491 PolarHBondContact N-O 3.31Å; V453-V492 HydrophobicContact CB-CG2 4.39Å; V453-V492 CarbonylContact O-C 3.59Å; V453-V493 PolarHBondContact O-N 3.41Å
454	V	98.8	Very high	96.3	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	126.4	176.4	-172.9	0	0	0	0	109.5	I369 N370 M371 Y372 V377 W380 V452 V493 L563	I369-V454 HydrophobicContact CG2-CG2 3.94Å; N370-V454 PolarHBondContact O-N 3.36Å; M371-V454 CarbonylContact C-O 3.32Å; M371-V454 WeakPolarHBondContact CA-O 3.37Å; M371-V454 HydrophobicContact CB-CB 4.44Å; M371-V454 HydrophobicContact CG-CB 4.07Å; M371-V454 HydrophobicContact CG-CG2 4.29Å; Y372-V454 PolarHBondContact N-O 3.15Å; V377-V454 HydrophobicContact CG2-CB 4.32Å; V377-V454 HydrophobicContact CG2-CG1 3.64Å; W380-V454 HydrophobicContact CE3-CG1 3.73Å; W380-V454 HydrophobicContact CH2-CG1 4.45Å; W380-V454 HydrophobicContact CZ3-CG1 3.54Å; V452-V454 HydrophobicContact CG1-CG2 4.2Å; V454-V493 CarbonylContact C-O 3.59Å; V454-V493 VanDerWaalsContact CA-O 3.31Å; V454-V493 WeakPolarHBondContact CA-O 3.3Å; V454-V493 HydrophobicContact CG2-CB 4.38Å; V454-L563 HydrophobicContact CG2-CD1 4.2Å; V454-L563 HydrophobicContact CG2-CD2 4.44Å
455	L	98.6	Very high	96.2	Very high	6 Å²	6	17.7 Å²	17.7	3%	0.031	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	134.5	-178.9	-55.7	-176.6	0	0	0	111.4	Y372 V438 V453 I476 L480 V493 R495	Y372-L455 HydrophobicContact CD2-CD2 3.92Å; Y372-L455 HydrophobicContact CG-CD2 4.35Å; Y372-L455 WeakPolarHBondContact O-CA 3.37Å; V438-L455 HydrophobicContact CG1-CD2 3.69Å; V453-L455 HydrophobicContact CG1-CD2 3.88Å; V453-L455 HydrophobicContact CG1-CG 4.11Å; L455-I476 HydrophobicContact CD1-CG2 3.71Å; L455-L480 HydrophobicContact CD1-CD1 3.81Å; L455-L480 HydrophobicContact CD1-CD2 4.44Å; L455-L480 HydrophobicContact CD1-CG 4.45Å; L455-V493 PolarHBondContact N-O 2.91Å; L455-R495 PolarHBondContact O-N 3.17Å
456	S	97.5	Very high	96.1	Very high	1 Å²	1	16.7 Å²	16.7	1%	0.007	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	108.5	165.7	-172.2	0	0	0	0	110.1	Y372 G373 D374 T376	Y372-S456 PolarHBondContact O-N 3.22Å; Y372-S456 VanDerWaalsContact O-N 3.09Å; G373-S456 CarbonylContact C-O 3.48Å; G373-S456 WeakPolarHBondContact CA-O 3.36Å; D374-S456 PolarHBondContact N-O 2.79Å; T376-S456 PolarHBondContact OG1-OG 2.82Å
457	I	95.6	Very high	95.9	Very high	6 Å²	6	13.6 Å²	13.6	3%	0.031	8%	0.083	C	C	.	.			trans	-139.5	96.1	-170.8	-55.8	166.7	0	0	0	107.6	H421 V438 F461 Y469 I476	H421-I457 HydrophobicContact CB-CG1 4.49Å; V438-I457 HydrophobicContact CB-CD1 4.27Å; V438-I457 HydrophobicContact CG1-CD1 4.28Å; V438-I457 HydrophobicContact CG2-CD1 3.8Å; I457-F461 HydrophobicContact CG2-CD2 4.11Å; I457-F461 HydrophobicContact CG2-CE2 3.5Å; I457-F461 HydrophobicContact CG2-CZ 4.26Å; I457-Y469 HydrophobicContact CG2-CE2 4.49Å; I457-Y469 WeakPolarHBondContact O-CE2 3.33Å; I457-Y469 PolarHBondContact O-OH 3.25Å; I457-I476 HydrophobicContact CD1-CD1 3.32Å
458	W	95.8	Very high	95.7	Very high	3 Å²	3	13 Å²	13	1%	0.011	8%	0.077	C	C	.	.			trans	-157.8	-37.9	176.7	64.1	-84.4	0	0	0	113.1	D374 T376 H460 F461 A497 N498 S515 L518 L549	D374-W458 PolarHBondContact OD2-N 3.12Å; D374-W458 VanDerWaalsContact OD2-N 3.07Å; T376-W458 HydrophobicContact CG2-CZ2 4Å; W458-H460 PolarHBondContact O-N 3.26Å; W458-F461 PolarHBondContact O-N 3.28Å; W458-A497 HydrophobicContact CB-CB 4.31Å; W458-A497 HydrophobicContact CD2-CB 3.51Å; W458-A497 HydrophobicContact CE3-CB 3.82Å; W458-A497 HydrophobicContact CG-CB 3.74Å; W458-A497 HydrophobicContact CZ2-CB 4.35Å; W458-A497 HydrophobicContact CZ3-CB 4.36Å; W458-N498 WeakPolarHBondContact CH2-O 3.25Å; W458-S515 VanDerWaalsContact CZ3-OG 3.26Å; W458-S515 WeakPolarHBondContact CZ3-OG 3.41Å; W458-L518 HydrophobicContact CB-CD1 4.44Å; W458-L518 WeakPolarHBondContact O-CD1 3.09Å; W458-L549 HydrophobicContact CH2-CD1 3.53Å; W458-L549 HydrophobicContact CZ2-CD1 3.93Å; W458-L549 HydrophobicContact CZ3-CD1 4.35Å
459	A	94.9	Very high	95.7	Very high	7 Å²	7	12.5 Å²	12.5	6%	0.058	7%	0.071	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-20.6	-166.9	0	0	0	0	0	113.9	D374 L549	D374-A459 HydrophobicContact CB-CB 4.24Å; D374-A459 WeakPolarHBondContact OD2-CB 3.22Å; D374-A459 PolarHBondContact OD2-N 2.99Å; A459-L549 HydrophobicContact CB-CD1 4.31Å
460	H	95.2	Very high	95.6	Very high	9 Å²	9	9.1 Å²	9.1	4%	0.042	5%	0.049	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.6	-0.4	-179.8	-57.6	155.5	0	0	0	114.8	H421 P424 R426 F427 W458	H421-H460 AromaticContact CD2-ND1 3.93Å; H421-H460 AromaticContact CE1-CG 3.91Å; H421-H460 AromaticContact CE1-ND1 3.23Å; H421-H460 PolarHBondContact CE1-ND1 2.99Å; H421-H460 AromaticContact NE2-CE1 3.73Å; H421-H460 AromaticContact NE2-CG 3.59Å; H421-H460 AromaticContact NE2-ND1 2.83Å; H421-H460 PolarHBondContact NE2-ND1 2.99Å; P424-H460 WeakPolarHBondContact O-CB 3.29Å; R426-H460 HydrophobicContact CG-CB 4.04Å; R426-H460 PolarHBondContact NE-O 3.13Å; R426-H460 PolarHBondContact NH2-O 3.3Å; F427-H460 AromaticContact CD1-CE1 3.53Å; F427-H460 AromaticContact CD1-NE2 3.52Å; F427-H460 AromaticContact CE1-CE1 3.37Å; F427-H460 WeakPolarHBondContact CE1-CE1 3.39Å; F427-H460 AromaticContact CE1-NE2 3.84Å; W458-H460 PolarHBondContact O-N 3.26Å
461	F	95.8	Very high	95.5	Very high	1 Å²	1	7 Å²	7	0%	0.004	4%	0.035	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.3	-11.9	-173.6	-70.8	-90.7	0	0	0	114	H421 P424 I457 W458 T463 F464 V468 Y469 R472 L518	H421-F461 AromaticContact CE1-CE2 3.6Å; P424-F461 HydrophobicContact CG-CE1 4.33Å; I457-F461 HydrophobicContact CG2-CD2 4.11Å; I457-F461 HydrophobicContact CG2-CE2 3.5Å; I457-F461 HydrophobicContact CG2-CZ 4.26Å; W458-F461 PolarHBondContact O-N 3.28Å; F461-T463 PolarHBondContact O-N 2.77Å; F461-F464 PolarHBondContact O-N 3.31Å; F461-V468 HydrophobicContact CD1-CG1 4.2Å; F461-V468 HydrophobicContact CE1-CG1 4.29Å; F461-Y469 HydrophobicContact CB-CD2 3.89Å; F461-Y469 HydrophobicContact CB-CG 4.41Å; F461-Y469 AromaticContact CD1-CD2 3.99Å; F461-Y469 HydrophobicContact CD1-CD2 3.99Å; F461-Y469 HydrophobicContact CD2-CD2 4.1Å; F461-Y469 HydrophobicContact CD2-CE2 4.37Å; F461-Y469 AromaticContact CG-CD2 3.71Å; F461-Y469 HydrophobicContact CG-CD2 3.71Å; F461-Y469 HydrophobicContact CG-CE2 4.39Å; F461-R472 HydrophobicContact CE1-CB 4.23Å; F461-R472 HydrophobicContact CE1-CG 4.12Å; F461-R472 HydrophobicContact CZ-CB 4.47Å; F461-R472 HydrophobicContact CZ-CG 3.86Å; F461-L518 HydrophobicContact CB-CD1 4Å
462	S	94.1	Very high	95.3	Very high	3 Å²	3	6.4 Å²	6.4	2%	0.021	3%	0.031	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.1	-26.4	-172.2	54.3	0	0	0	0	116.6	R426 Y509 N510	R426-S462 PolarHBondContact NH1-OG 3.17Å; S462-Y509 WeakPolarHBondContact CB-O 3.26Å; S462-Y509 PolarHBondContact OG-O 2.82Å; S462-N510 PolarHBondContact OG-OD1 3.26Å
463	T	92.6	Very high	95.3	Very high	0 Å²	0	6.3 Å²	6.3	0%	0	3%	0.031	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.6	-6.3	179.8	66.3	0	0	0	0	114.4	P213 R215 V216 R426 F461 Y509	P213-T463 VanDerWaalsContact CA-O 3.27Å; P213-T463 WeakPolarHBondContact CA-O 3.48Å; P213-T463 WeakPolarHBondContact CB-O 3.26Å; R215-T463 HydrophobicContact CG-CG2 4.18Å; V216-T463 HydrophobicContact CG2-CG2 3.66Å; V216-T463 WeakPolarHBondContact CG2-OG1 3.39Å; R426-T463 PolarHBondContact NH2-OG1 2.84Å; F461-T463 PolarHBondContact O-N 2.77Å; T463-Y509 HydrophobicContact CG2-CD1 4.29Å; T463-Y509 WeakPolarHBondContact CG2-O 3.31Å
464	F	92.7	Very high	95.2	Very high	3 Å²	3	6.6 Å²	6.6	1%	0.013	3%	0.032	C	C	.	.	S	Bend	trans	-91.1	154	179	-66.8	-83.8	0	0	0	110.7	R209 P213 F218 M235 P424 F461 V468	R209-F464 WeakPolarHBondContact CD-O 3.11Å; R209-F464 WeakPolarHBondContact CG-O 3.44Å; P213-F464 HydrophobicContact CB-CD1 4.19Å; F218-F464 HydrophobicContact CE2-CE2 4.49Å; F218-F464 AromaticContact CE2-CZ 3.95Å; F218-F464 HydrophobicContact CE2-CZ 3.95Å; M235-F464 HydrophobicContact CB-CE1 4.29Å; P424-F464 HydrophobicContact CB-CE2 3.89Å; P424-F464 HydrophobicContact CB-CZ 4.04Å; P424-F464 HydrophobicContact CG-CD2 4.22Å; P424-F464 HydrophobicContact CG-CE2 3.51Å; P424-F464 HydrophobicContact CG-CZ 3.96Å; F461-F464 PolarHBondContact O-N 3.31Å; F464-V468 HydrophobicContact CB-CB 4.16Å; F464-V468 HydrophobicContact CB-CG1 4.28Å; F464-V468 HydrophobicContact CB-CG2 4.31Å
465	P	92.2	Very high	95.1	Very high	4 Å²	4	7.6 Å²	7.6	3%	0.026	4%	0.037	C	C	.	.			trans	-52.4	142	166.1	-24.5	36	0	0	0	110.2	C67 E467 V468	C67-P465 HydrophobicContact CB-CG 4.15Å; P465-E467 VanDerWaalsContact C-OE2 3.28Å; P465-E467 WeakPolarHBondContact CB-OE2 3.44Å; P465-E467 PolarHBondContact O-N 2.9Å; P465-E467 VanDerWaalsContact O-N 3.17Å; P465-V468 WeakPolarHBondContact O-CB 3.49Å; P465-V468 PolarHBondContact O-N 3.13Å
466	V	94.5	Very high	95	Very high	5 Å²	5	7.4 Å²	7.4	3%	0.03	4%	0.035	C	C	.	.	H	α-helix	trans	-65.1	-25.1	-169.8	177.1	0	0	0	0	111.8	L86 I89 V468 Y469 I470 V521	L86-V466 HydrophobicContact CD2-CB 3.99Å; L86-V466 HydrophobicContact CD2-CG1 4.17Å; I89-V466 HydrophobicContact CD1-CB 4.09Å; I89-V466 HydrophobicContact CD1-CG1 3.69Å; I89-V466 HydrophobicContact CD1-CG2 3.86Å; V466-V468 PolarHBondContact O-N 2.92Å; V466-Y469 CarbonylContact O-C 3.53Å; V466-Y469 WeakPolarHBondContact O-CA 3.49Å; V466-Y469 WeakPolarHBondContact O-CB 3.49Å; V466-Y469 PolarHBondContact O-N 3.45Å; V466-I470 HydrophobicContact CG1-CD1 4.02Å; V466-I470 HydrophobicContact CG1-CG1 4.12Å; V466-I470 PolarHBondContact O-N 3.39Å; V466-V521 HydrophobicContact CG1-CG2 3.92Å
467	E	92.4	Very high	95.1	Very high	46 Å²	46	9.8 Å²	9.8	22%	0.215	4%	0.044	C	C	.	.	H	α-helix	trans	-53.9	-37.8	173.7	-60.4	86.7	165.2	0	0	112	L86 P465 Y469 I470 R471	L86-E467 HydrophobicContact CD1-CG 3.99Å; L86-E467 HydrophobicContact CD2-CG 4.35Å; P465-E467 VanDerWaalsContact C-OE2 3.28Å; P465-E467 WeakPolarHBondContact CB-OE2 3.44Å; P465-E467 PolarHBondContact O-N 2.9Å; P465-E467 VanDerWaalsContact O-N 3.17Å; E467-Y469 VanDerWaalsContact C-N 3.29Å; E467-Y469 PolarHBondContact O-N 2.99Å; E467-I470 PolarHBondContact O-N 3.26Å; E467-R471 WeakPolarHBondContact O-CB 3.25Å; E467-R471 PolarHBondContact O-N 2.88Å
468	V	92.3	Very high	95.1	Very high	3 Å²	3	13.2 Å²	13.2	2%	0.018	6%	0.057	C	C	.	.	H	α-helix	trans	-60.1	-43.9	174.4	168.7	0	0	0	0	110.7	L70 M235 F461 F464 P465 V466 R472	L70-V468 HydrophobicContact CD2-CG2 4.18Å; M235-V468 HydrophobicContact CE-CG1 3.89Å; M235-V468 HydrophobicContact SD-CB 4.18Å; M235-V468 HydrophobicContact SD-CG1 3.26Å; M235-V468 WeakPolarHBondContact SD-CG1 3.3Å; M235-V468 HydrophobicContact SD-CG2 3.88Å; F461-V468 HydrophobicContact CD1-CG1 4.2Å; F461-V468 HydrophobicContact CE1-CG1 4.29Å; F464-V468 HydrophobicContact CB-CB 4.16Å; F464-V468 HydrophobicContact CB-CG1 4.28Å; F464-V468 HydrophobicContact CB-CG2 4.31Å; P465-V468 WeakPolarHBondContact O-CB 3.49Å; P465-V468 PolarHBondContact O-N 3.13Å; V466-V468 PolarHBondContact O-N 2.92Å; V468-R472 WeakPolarHBondContact O-CB 3.16Å; V468-R472 PolarHBondContact O-N 3.01Å
469	Y	95.8	Very high	95.3	Very high	2 Å²	2	13.1 Å²	13.1	1%	0.008	6%	0.056	C	C	.	.	H	α-helix	trans	-72.5	-41.1	-179.7	-176.9	-115.7	0	0	0	112	I457 F461 V466 E467 R471 R472 L473 L518 V521	I457-Y469 HydrophobicContact CG2-CE2 4.49Å; I457-Y469 WeakPolarHBondContact O-CE2 3.33Å; I457-Y469 PolarHBondContact O-OH 3.25Å; F461-Y469 HydrophobicContact CB-CD2 3.89Å; F461-Y469 HydrophobicContact CB-CG 4.41Å; F461-Y469 AromaticContact CD1-CD2 3.99Å; F461-Y469 HydrophobicContact CD1-CD2 3.99Å; F461-Y469 HydrophobicContact CD2-CD2 4.1Å; F461-Y469 HydrophobicContact CD2-CE2 4.37Å; F461-Y469 AromaticContact CG-CD2 3.71Å; F461-Y469 HydrophobicContact CG-CD2 3.71Å; F461-Y469 HydrophobicContact CG-CE2 4.39Å; V466-Y469 CarbonylContact O-C 3.53Å; V466-Y469 WeakPolarHBondContact O-CA 3.49Å; V466-Y469 WeakPolarHBondContact O-CB 3.49Å; V466-Y469 PolarHBondContact O-N 3.45Å; E467-Y469 VanDerWaalsContact C-N 3.29Å; E467-Y469 PolarHBondContact O-N 2.99Å; Y469-R471 PolarHBondContact O-N 2.86Å; Y469-R472 WeakPolarHBondContact O-CB 3.34Å; Y469-R472 PolarHBondContact O-N 3.45Å; Y469-L473 HydrophobicContact CD1-CD1 3.99Å; Y469-L473 HydrophobicContact CD1-CG 4.35Å; Y469-L473 HydrophobicContact CD2-CG 4.3Å; Y469-L473 HydrophobicContact CE1-CD1 3.4Å; Y469-L473 VanDerWaalsContact CE1-CD1 3.4Å; Y469-L473 HydrophobicContact CE1-CG 4Å; Y469-L473 HydrophobicContact CE2-CD1 4.19Å; Y469-L473 HydrophobicContact CE2-CD2 3.82Å; Y469-L473 HydrophobicContact CE2-CG 3.91Å; Y469-L473 WeakPolarHBondContact O-CG 3.13Å; Y469-L473 PolarHBondContact O-N 3.43Å; Y469-L518 HydrophobicContact CD1-CB 4.15Å; Y469-L518 HydrophobicContact CD1-CD2 3.41Å; Y469-L518 VanDerWaalsContact CD1-CD2 3.41Å; Y469-L518 HydrophobicContact CD1-CG 4.32Å; Y469-L518 HydrophobicContact CD2-CD2 4.4Å; Y469-L518 HydrophobicContact CE1-CB 3.77Å; Y469-L518 HydrophobicContact CE1-CD2 3.96Å; Y469-L518 HydrophobicContact CE1-CG 4.4Å; Y469-L518 VanDerWaalsContact CE1-O 3.28Å; Y469-L518 WeakPolarHBondContact CE1-O 3.46Å; Y469-L518 HydrophobicContact CG-CD2 3.64Å; Y469-V521 HydrophobicContact CD1-CB 4.43Å; Y469-V521 HydrophobicContact CD1-CG1 4.07Å; Y469-V521 HydrophobicContact CE1-CB 4.41Å; Y469-V521 HydrophobicContact CE1-CG1 4.24Å
470	I	96.1	Very high	95.4	Very high	0 Å²	0	12.8 Å²	12.8	0%	0	5%	0.054	C	C	.	.	H	α-helix	trans	-56.4	-50	173.2	-71.1	168.7	0	0	0	110.3	E82 L85 L86 V466 E467 R472 L473 R474 V521 M525	E82-I470 HydrophobicContact CB-CG2 4.33Å; E82-I470 HydrophobicContact CG-CD1 4.19Å; E82-I470 HydrophobicContact CG-CG2 4.23Å; L85-I470 HydrophobicContact CB-CD1 3.76Å; L85-I470 HydrophobicContact CB-CG1 4.28Å; L85-I470 HydrophobicContact CD1-CD1 4.38Å; L85-I470 HydrophobicContact CD1-CG1 4.13Å; L85-I470 HydrophobicContact CD1-CG2 3.83Å; L86-I470 HydrophobicContact CD2-CD1 3.82Å; L86-I470 HydrophobicContact CG-CD1 3.8Å; V466-I470 HydrophobicContact CG1-CD1 4.02Å; V466-I470 HydrophobicContact CG1-CG1 4.12Å; V466-I470 PolarHBondContact O-N 3.39Å; E467-I470 PolarHBondContact O-N 3.26Å; I470-R472 VanDerWaalsContact C-N 3.33Å; I470-R472 PolarHBondContact O-N 3.03Å; I470-L473 PolarHBondContact O-N 3.4Å; I470-R474 VanDerWaalsContact CG2-NH2 3.27Å; I470-R474 WeakPolarHBondContact O-CB 3.35Å; I470-R474 PolarHBondContact O-N 3.38Å; I470-V521 HydrophobicContact CD1-CG1 4.49Å; I470-V521 HydrophobicContact CG1-CG1 3.6Å; I470-M525 HydrophobicContact CG2-CE 4.06Å
471	R	94	Very high	95.6	Very high	26 Å²	26	16.8 Å²	16.8	10%	0.098	8%	0.075	C	C	.	.	H	α-helix	trans	-59	-45.6	177	-175.9	-178.6	64.6	-116.3	-9.8	111.4	L70 M235 E254 E467 Y469 L473 R474 H475	L70-R471 PolarHBondContact O-NH1 3.23Å; M235-R471 PolarHBondContact SD-NH2 3.18Å; M235-R471 VanDerWaalsContact SD-NH2 3.42Å; E254-R471 IonicContact OE1-NH2 3.86Å; E254-R471 IonicContact OE2-CZ 2.71Å; E254-R471 IonicContact OE2-NE 2.74Å; E254-R471 PolarHBondContact OE2-NE 2.83Å; E254-R471 IonicContact OE2-NH2 3.48Å; E467-R471 WeakPolarHBondContact O-CB 3.25Å; E467-R471 PolarHBondContact O-N 2.88Å; Y469-R471 PolarHBondContact O-N 2.86Å; R471-L473 PolarHBondContact O-N 2.91Å; R471-R474 WeakPolarHBondContact O-CB 3.34Å; R471-R474 PolarHBondContact O-N 3.34Å; R471-H475 WeakPolarHBondContact CG-NE2 3.47Å; R471-H475 PolarHBondContact O-CD2 2.96Å; R471-H475 PolarHBondContact O-N 3.24Å; R471-H475 VanDerWaalsContact O-N 3.13Å
472	R	95.8	Very high	95.7	Very high	6 Å²	6	22 Å²	22	2%	0.023	10%	0.095	C	C	.	.	H	α-helix	trans	-54.4	-51.9	176.7	176.8	59.3	59.2	170.4	10.3	111.7	E254 P423 F461 V468 Y469 I470 R474 H475 I476	E254-R472 VanDerWaalsContact CD-CZ 3.5Å; E254-R472 VanDerWaalsContact CG-CZ 3.46Å; E254-R472 IonicContact OE1-CZ 2.72Å; E254-R472 VanDerWaalsContact OE1-CZ 3.23Å; E254-R472 IonicContact OE1-NE 2.59Å; E254-R472 PolarHBondContact OE1-NE 2.79Å; E254-R472 IonicContact OE1-NH2 3.56Å; E254-R472 PolarHBondContact OE1-NH2 2.89Å; P423-R472 PolarHBondContact O-NH2 3.06Å; F461-R472 HydrophobicContact CE1-CB 4.23Å; F461-R472 HydrophobicContact CE1-CG 4.12Å; F461-R472 HydrophobicContact CZ-CB 4.47Å; F461-R472 HydrophobicContact CZ-CG 3.86Å; V468-R472 WeakPolarHBondContact O-CB 3.16Å; V468-R472 PolarHBondContact O-N 3.01Å; Y469-R472 WeakPolarHBondContact O-CB 3.34Å; Y469-R472 PolarHBondContact O-N 3.45Å; I470-R472 VanDerWaalsContact C-N 3.33Å; I470-R472 PolarHBondContact O-N 3.03Å; R472-R474 VanDerWaalsContact C-N 3.34Å; R472-H475 PolarHBondContact O-N 3.15Å; R472-I476 HydrophobicContact CG-CD1 4.09Å; R472-I476 WeakPolarHBondContact O-CD1 3.37Å; R472-I476 WeakPolarHBondContact O-CG1 3.29Å; R472-I476 PolarHBondContact O-N 3.1Å
473	L	97.8	Very high	95.9	Very high	2 Å²	2	21.9 Å²	21.9	1%	0.01	9%	0.094	C	C	.	.	H	α-helix	trans	-67.2	-35.1	-178.8	-64.2	-174.3	0	0	0	112.1	Y469 I470 R471 H475 I476 R477 V521 L522 M525 F526	Y469-L473 HydrophobicContact CD1-CD1 3.99Å; Y469-L473 HydrophobicContact CD1-CG 4.35Å; Y469-L473 HydrophobicContact CD2-CG 4.3Å; Y469-L473 HydrophobicContact CE1-CD1 3.4Å; Y469-L473 VanDerWaalsContact CE1-CD1 3.4Å; Y469-L473 HydrophobicContact CE1-CG 4Å; Y469-L473 HydrophobicContact CE2-CD1 4.19Å; Y469-L473 HydrophobicContact CE2-CD2 3.82Å; Y469-L473 HydrophobicContact CE2-CG 3.91Å; Y469-L473 WeakPolarHBondContact O-CG 3.13Å; Y469-L473 PolarHBondContact O-N 3.43Å; I470-L473 PolarHBondContact O-N 3.4Å; R471-L473 PolarHBondContact O-N 2.91Å; L473-H475 PolarHBondContact O-N 3.08Å; L473-I476 HydrophobicContact CD2-CD1 4.35Å; L473-I476 WeakPolarHBondContact O-CB 3.28Å; L473-I476 PolarHBondContact O-N 2.93Å; L473-R477 WeakPolarHBondContact O-CB 3.36Å; L473-R477 PolarHBondContact O-N 3.35Å; L473-V521 HydrophobicContact CD1-CG1 4.23Å; L473-L522 HydrophobicContact CD1-CB 4.16Å; L473-L522 HydrophobicContact CD1-CD1 3.74Å; L473-L522 HydrophobicContact CD2-CD1 3.76Å; L473-L522 HydrophobicContact CG-CD1 4.4Å; L473-M525 HydrophobicContact CB-CE 4.2Å; L473-M525 HydrophobicContact CB-CG 3.83Å; L473-M525 HydrophobicContact CD1-CB 4.24Å; L473-M525 HydrophobicContact CD1-CG 4.37Å; L473-F526 HydrophobicContact CB-CE2 4.3Å; L473-F526 HydrophobicContact CD1-CE2 4.4Å; L473-F526 HydrophobicContact CD2-CE2 4.18Å
474	R	96.3	Very high	96.1	Very high	6 Å²	6	23 Å²	23	2%	0.023	10%	0.1	C	C	.	.	H	α-helix	trans	-60.2	-43.8	176.2	-174.4	-177.9	-64.7	125.7	0.6	112.3	D78 E81 E82 I470 R471 R472 I476 R477 R478 M525	D78-R474 VanDerWaalsContact CG-CD 3.46Å; D78-R474 PolarHBondContact O-NH2 3.48Å; D78-R474 WeakPolarHBondContact OD1-CD 3.4Å; D78-R474 IonicContact OD1-NE 3.84Å; E81-R474 IonicContact OE2-CZ 3.77Å; E81-R474 IonicContact OE2-NE 2.61Å; E81-R474 PolarHBondContact OE2-NE 3.3Å; E81-R474 IonicContact OE2-NH2 3.23Å; E81-R474 PolarHBondContact OE2-NH2 3.44Å; E82-R474 IonicContact OE2-NH1 3.73Å; I470-R474 VanDerWaalsContact CG2-NH2 3.27Å; I470-R474 WeakPolarHBondContact O-CB 3.35Å; I470-R474 PolarHBondContact O-N 3.38Å; R471-R474 WeakPolarHBondContact O-CB 3.34Å; R471-R474 PolarHBondContact O-N 3.34Å; R472-R474 VanDerWaalsContact C-N 3.34Å; R474-I476 VanDerWaalsContact C-N 3.34Å; R474-I476 PolarHBondContact O-N 3.16Å; R474-R477 PolarHBondContact O-N 3.35Å; R474-R478 WeakPolarHBondContact O-CG 3.37Å; R474-R478 PolarHBondContact O-N 3.43Å; R474-M525 HydrophobicContact CB-CE 4.08Å
475	H	96.4	Very high	96.3	Very high	21 Å²	21	26.1 Å²	26.1	10%	0.097	13%	0.132	C	C	.	.	H	α-helix	trans	-62.6	-41.8	175.5	-67.5	-57.7	0	0	0	111.8	T252 E254 F439 R471 R472 L473 R478 A479	T252-H475 HydrophobicContact CG2-CB 4.29Å; T252-H475 PolarHBondContact O-CE1 3.28Å; T252-H475 VanDerWaalsContact O-CE1 3.24Å; E254-H475 IonicContact OE2-CD2 2.68Å; E254-H475 IonicContact OE2-NE2 3.5Å; F439-H475 HydrophobicContact CB-CB 4.42Å; F439-H475 HydrophobicContact CD1-CB 3.53Å; F439-H475 HydrophobicContact CE1-CB 3.94Å; F439-H475 HydrophobicContact CG-CB 4.07Å; R471-H475 WeakPolarHBondContact CG-NE2 3.47Å; R471-H475 PolarHBondContact O-CD2 2.96Å; R471-H475 PolarHBondContact O-N 3.24Å; R471-H475 VanDerWaalsContact O-N 3.13Å; R472-H475 PolarHBondContact O-N 3.15Å; L473-H475 PolarHBondContact O-N 3.08Å; H475-R478 PolarHBondContact O-N 3.37Å; H475-A479 PolarHBondContact O-N 2.88Å; H475-A479 VanDerWaalsContact O-N 3.1Å
476	I	98.3	Very high	96.6	Very high	1 Å²	1	30.8 Å²	30.8	1%	0.005	15%	0.149	C	C	.	.	H	α-helix	trans	-63	-45	175.4	-67.4	160.4	0	0	0	110.8	V438 F439 L442 L455 I457 R472 L473 R474 R478 A479 L480 F526	V438-I476 HydrophobicContact CB-CD1 4.34Å; V438-I476 HydrophobicContact CB-CG1 4.19Å; V438-I476 HydrophobicContact CG1-CG1 4.28Å; F439-I476 HydrophobicContact CD1-CG1 4.47Å; L442-I476 HydrophobicContact CD1-CG2 4.1Å; L455-I476 HydrophobicContact CD1-CG2 3.71Å; I457-I476 HydrophobicContact CD1-CD1 3.32Å; R472-I476 HydrophobicContact CG-CD1 4.09Å; R472-I476 WeakPolarHBondContact O-CD1 3.37Å; R472-I476 WeakPolarHBondContact O-CG1 3.29Å; R472-I476 PolarHBondContact O-N 3.1Å; L473-I476 HydrophobicContact CD2-CD1 4.35Å; L473-I476 WeakPolarHBondContact O-CB 3.28Å; L473-I476 PolarHBondContact O-N 2.93Å; R474-I476 VanDerWaalsContact C-N 3.34Å; R474-I476 PolarHBondContact O-N 3.16Å; I476-R478 VanDerWaalsContact C-N 3.35Å; I476-R478 PolarHBondContact O-N 2.78Å; I476-A479 PolarHBondContact O-N 3.32Å; I476-A479 VanDerWaalsContact O-N 3.15Å; I476-L480 HydrophobicContact CG2-CD1 4.23Å; I476-L480 HydrophobicContact CG2-CG 4.41Å; I476-L480 PolarHBondContact O-N 2.86Å; I476-F526 HydrophobicContact CG2-CZ 4.02Å
477	R	97.9	Very high	96.7	Very high	51 Å²	51	31 Å²	31	19%	0.192	15%	0.151	C	C	.	.	H	α-helix	trans	-57.8	-47	178.5	-165.1	-179.1	65	-178.5	-4.8	112	E81 L473 R474 A479 L480 L481 M525 F526 M529	E81-R477 IonicContact OE1-CZ 2.88Å; E81-R477 IonicContact OE1-NH1 3.91Å; E81-R477 PolarHBondContact OE1-NH1 3.11Å; E81-R477 IonicContact OE1-NH2 3.28Å; E81-R477 PolarHBondContact OE1-NH2 3.31Å; E81-R477 IonicContact OE2-CZ 3.43Å; E81-R477 IonicContact OE2-NH2 3.82Å; E81-R477 PolarHBondContact OE2-NH2 3.12Å; E81-R477 VanDerWaalsContact OE2-NH2 3.12Å; L473-R477 WeakPolarHBondContact O-CB 3.36Å; L473-R477 PolarHBondContact O-N 3.35Å; R474-R477 PolarHBondContact O-N 3.35Å; R477-A479 VanDerWaalsContact C-N 3.34Å; R477-A479 PolarHBondContact O-N 3.05Å; R477-L480 PolarHBondContact O-N 3.45Å; R477-L481 WeakPolarHBondContact O-CG 3.48Å; R477-L481 PolarHBondContact O-N 3.5Å; R477-M525 HydrophobicContact CB-SD 4.4Å; R477-M525 WeakPolarHBondContact CD-O 3.43Å; R477-M525 VanDerWaalsContact CZ-SD 3.54Å; R477-M525 PolarHBondContact NH1-O 3.16Å; R477-M525 PolarHBondContact NH1-SD 2.84Å; R477-F526 HydrophobicContact CB-CE1 3.83Å; R477-F526 HydrophobicContact CB-CZ 4.24Å; R477-F526 HydrophobicContact CG-CD1 4.18Å; R477-F526 HydrophobicContact CG-CE1 3.9Å; R477-M529 HydrophobicContact CG-CE 4.02Å; R477-M529 HydrophobicContact CG-SD 3.22Å; R477-M529 WeakPolarHBondContact CG-SD 3.36Å
478	R	97	Very high	97	Very high	79 Å²	79	33 Å²	33	30%	0.298	17%	0.169	S	C	.	.	H	α-helix	trans	-61.6	-40.6	176.1	-72.2	174.5	172.3	165.9	-1.9	112.2	D78 R474 H475 I476 L481 R482	D78-R478 IonicContact OD1-CZ 2.7Å; D78-R478 IonicContact OD1-NH2 2.74Å; D78-R478 PolarHBondContact OD1-NH2 3.43Å; D78-R478 IonicContact OD2-CZ 3.31Å; D78-R478 IonicContact OD2-NH1 3.78Å; D78-R478 PolarHBondContact OD2-NH1 2.88Å; D78-R478 IonicContact OD2-NH2 2.99Å; D78-R478 PolarHBondContact OD2-NH2 2.59Å; R474-R478 WeakPolarHBondContact O-CG 3.37Å; R474-R478 PolarHBondContact O-N 3.43Å; H475-R478 PolarHBondContact O-N 3.37Å; I476-R478 VanDerWaalsContact C-N 3.35Å; I476-R478 PolarHBondContact O-N 2.78Å; R478-L481 PolarHBondContact O-N 3.4Å; R478-R482 PolarHBondContact O-N 3.15Å; R478-R482 VanDerWaalsContact O-N 3.1Å; R478-R482 PolarHBondContact O-NH1 3.34Å
479	A	98.3	Very high	97.2	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-66.4	-40.1	176.1	0	0	0	0	0	112.3	F439 L442 H475 I476 R477 R482 L483	F439-A479 HydrophobicContact CB-CB 3.77Å; L442-A479 HydrophobicContact CB-CB 3.95Å; L442-A479 HydrophobicContact CD1-CB 4.1Å; H475-A479 PolarHBondContact O-N 2.88Å; H475-A479 VanDerWaalsContact O-N 3.1Å; I476-A479 PolarHBondContact O-N 3.32Å; I476-A479 VanDerWaalsContact O-N 3.15Å; R477-A479 VanDerWaalsContact C-N 3.34Å; R477-A479 PolarHBondContact O-N 3.05Å; A479-R482 PolarHBondContact O-N 2.92Å; A479-L483 WeakPolarHBondContact O-CB 3.38Å; A479-L483 PolarHBondContact O-N 3Å
480	L	98.5	Very high	97.3	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-63.9	-42.1	173.6	-73.8	179.3	0	0	0	112.4	L442 V453 L455 I476 R477 R482 L483 L484 V492 F526 M529	L442-L480 HydrophobicContact CD1-CD2 3.68Å; L442-L480 HydrophobicContact CD1-CG 3.84Å; L442-L480 HydrophobicContact CD2-CD2 3.94Å; L442-L480 HydrophobicContact CG-CD2 4.42Å; V453-L480 HydrophobicContact CG1-CD2 4.5Å; L455-L480 HydrophobicContact CD1-CD1 3.81Å; L455-L480 HydrophobicContact CD1-CD2 4.44Å; L455-L480 HydrophobicContact CD1-CG 4.45Å; I476-L480 HydrophobicContact CG2-CD1 4.23Å; I476-L480 HydrophobicContact CG2-CG 4.41Å; I476-L480 PolarHBondContact O-N 2.86Å; R477-L480 PolarHBondContact O-N 3.45Å; L480-R482 VanDerWaalsContact C-N 3.3Å; L480-R482 PolarHBondContact O-N 3.36Å; L480-L483 HydrophobicContact CD2-CD2 4.29Å; L480-L483 WeakPolarHBondContact O-CB 3Å; L480-L483 PolarHBondContact O-N 2.83Å; L480-L483 VanDerWaalsContact O-N 3.08Å; L480-L484 WeakPolarHBondContact O-CG 2.99Å; L480-L484 PolarHBondContact O-N 3Å; L480-V492 HydrophobicContact CD1-CG1 3.91Å; L480-V492 HydrophobicContact CD2-CG1 3.87Å; L480-V492 HydrophobicContact CD2-CG2 4.03Å; L480-F526 HydrophobicContact CD1-CD1 4.4Å; L480-F526 HydrophobicContact CD1-CE1 3.76Å; L480-M529 HydrophobicContact CB-CE 4.01Å
481	L	97.9	Very high	97.4	Very high	94 Å²	94	41.7 Å²	41.7	49%	0.492	21%	0.211	S	C	.	.	H	α-helix	trans	-59.4	-41.5	174.6	-73	170.7	0	0	0	111.6	R477 R478 L483 G485 M529	R477-L481 WeakPolarHBondContact O-CG 3.48Å; R477-L481 PolarHBondContact O-N 3.5Å; R478-L481 PolarHBondContact O-N 3.4Å; L481-L483 VanDerWaalsContact C-N 3.35Å; L481-G485 PolarHBondContact O-N 3.4Å; L481-M529 HydrophobicContact CD2-CE 3.81Å; L481-M529 HydrophobicContact CG-CE 3.87Å
482	R	97.9	Very high	97.6	Very high	111 Å²	111	40.6 Å²	40.6	42%	0.419	21%	0.207	S	C	.	.	H	α-helix	trans	-65.1	-37.4	173.1	-71.4	-173.2	-64.8	-89.9	6.9	112.5	D443 R478 A479 L480 R486	D443-R482 IonicContact OD1-CZ 3.4Å; D443-R482 IonicContact OD1-NE 3.71Å; D443-R482 PolarHBondContact OD1-NE 2.97Å; D443-R482 IonicContact OD1-NH2 2.65Å; D443-R482 PolarHBondContact OD1-NH2 2.96Å; D443-R482 VanDerWaalsContact OD1-NH2 3.16Å; D443-R482 IonicContact OD2-CZ 3.39Å; D443-R482 IonicContact OD2-NE 3.39Å; D443-R482 IonicContact OD2-NH2 3.84Å; D443-R482 PolarHBondContact OD2-NH2 2.84Å; R478-R482 PolarHBondContact O-N 3.15Å; R478-R482 VanDerWaalsContact O-N 3.1Å; R478-R482 PolarHBondContact O-NH1 3.34Å; A479-R482 PolarHBondContact O-N 2.92Å; L480-R482 VanDerWaalsContact C-N 3.3Å; L480-R482 PolarHBondContact O-N 3.36Å; R482-R486 WeakPolarHBondContact O-CG 3.48Å; R482-R486 PolarHBondContact O-N 2.91Å; R482-R486 VanDerWaalsContact O-N 3.16Å; R482-R486 PolarHBondContact O-NH1 3.01Å; R482-R486 VanDerWaalsContact O-NH1 3.14Å
483	L	98.4	Very high	97.7	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-66.8	-49.4	178.4	174.3	60.2	0	0	0	111.5	L442 L445 V453 A479 L480 L481 G485 R486 A487 T490	L442-L483 HydrophobicContact CD2-CD2 4.2Å; L445-L483 HydrophobicContact CB-CD1 4.2Å; L445-L483 HydrophobicContact CD1-CD2 4.43Å; V453-L483 HydrophobicContact CG2-CD2 4.05Å; A479-L483 WeakPolarHBondContact O-CB 3.38Å; A479-L483 PolarHBondContact O-N 3Å; L480-L483 HydrophobicContact CD2-CD2 4.29Å; L480-L483 WeakPolarHBondContact O-CB 3Å; L480-L483 PolarHBondContact O-N 2.83Å; L480-L483 VanDerWaalsContact O-N 3.08Å; L481-L483 VanDerWaalsContact C-N 3.35Å; L483-G485 VanDerWaalsContact C-N 3.31Å; L483-G485 PolarHBondContact O-N 2.98Å; L483-R486 VanDerWaalsContact CA-CZ 3.47Å; L483-R486 VanDerWaalsContact CA-NH1 3.28Å; L483-R486 VanDerWaalsContact N-NH1 3.16Å; L483-R486 WeakPolarHBondContact O-CG 3.41Å; L483-R486 PolarHBondContact O-N 3.17Å; L483-A487 PolarHBondContact O-N 2.83Å; L483-T490 HydrophobicContact CD2-CG2 4.11Å; L483-T490 HydrophobicContact CG-CG2 4.34Å
484	L	98	Very high	97.7	Very high	24 Å²	24	40.3 Å²	40.3	13%	0.126	21%	0.206	C	C	.	.	H	α-helix	trans	-68.1	-32.4	177.5	-66.3	170.7	0	0	0	111.6	L480 A487 P488 T490 V492	L480-L484 WeakPolarHBondContact O-CG 2.99Å; L480-L484 PolarHBondContact O-N 3Å; L484-A487 CarbonylContact O-C 3.29Å; L484-P488 WeakPolarHBondContact O-CA 3.4Å; L484-P488 WeakPolarHBondContact O-CB 3.46Å; L484-P488 VanDerWaalsContact O-N 3.13Å; L484-T490 WeakPolarHBondContact CD2-O 3.06Å; L484-V492 HydrophobicContact CD2-CG2 4.05Å; L484-V492 HydrophobicContact CG-CG2 4.44Å
485	G	97.2	Very high	97.8	Very high	67 Å²	67	40 Å²	40	69%	0.691	21%	0.205	S	C	*	.	H	α-helix	trans	-64	-38.6	174	0	0	0	0	0	113.5	L481 L483	L481-G485 PolarHBondContact O-N 3.4Å; L483-G485 VanDerWaalsContact C-N 3.31Å; L483-G485 PolarHBondContact O-N 2.98Å
486	R	97.4	Very high	97.8	Very high	102 Å²	102	39 Å²	39	39%	0.385	20%	0.2	S	C	.	.	H	α-helix	trans	-88	-25	178.1	71	-173.2	175.3	-100.6	4.8	114	L442 D443 L445 R482 L483	L442-R486 PolarHBondContact O-NH2 3.4Å; D443-R486 PolarHBondContact O-NH2 3.28Å; L445-R486 PolarHBondContact O-NE 3.49Å; L445-R486 VanDerWaalsContact O-NE 3.13Å; L445-R486 PolarHBondContact O-NH2 2.96Å; R482-R486 WeakPolarHBondContact O-CG 3.48Å; R482-R486 PolarHBondContact O-N 2.91Å; R482-R486 VanDerWaalsContact O-N 3.16Å; R482-R486 PolarHBondContact O-NH1 3.01Å; R482-R486 VanDerWaalsContact O-NH1 3.14Å; L483-R486 VanDerWaalsContact CA-CZ 3.47Å; L483-R486 VanDerWaalsContact CA-NH1 3.28Å; L483-R486 VanDerWaalsContact N-NH1 3.16Å; L483-R486 WeakPolarHBondContact O-CG 3.41Å; L483-R486 PolarHBondContact O-N 3.17Å
487	A	97.8	Very high	97.8	Very high	9 Å²	9	39 Å²	39	7%	0.074	20%	0.2	C	C	.	.			trans	-146.2	75.4	-175.7	0	0	0	0	0	110.4	S446 L483 L484 E489 T490	S446-A487 WeakPolarHBondContact O-CB 3.27Å; L483-A487 PolarHBondContact O-N 2.83Å; L484-A487 CarbonylContact O-C 3.29Å; A487-E489 PolarHBondContact O-N 3.28Å; A487-T490 WeakPolarHBondContact O-CB 3.14Å; A487-T490 PolarHBondContact O-N 3.38Å; A487-T490 VanDerWaalsContact O-N 3.08Å; A487-T490 PolarHBondContact O-OG1 3.29Å
488	P	97	Very high	97.8	Very high	90 Å²	90	36.6 Å²	36.6	58%	0.584	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.3	-21.8	-170.1	24	-34.5	0	0	0	114.1	L484 T490	L484-P488 WeakPolarHBondContact O-CA 3.4Å; L484-P488 WeakPolarHBondContact O-CB 3.46Å; L484-P488 VanDerWaalsContact O-N 3.13Å; P488-T490 PolarHBondContact O-N 2.71Å
489	E	96.8	Very high	97.8	Very high	137 Å²	137	32.8 Å²	32.8	64%	0.64	18%	0.177	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.3	3.9	176.9	-60.1	179.9	99.1	0	0	113.6	P449 A487 L491	P449-E489 WeakPolarHBondContact CA-O 3.17Å; P449-E489 HydrophobicContact CB-CB 3.89Å; A487-E489 PolarHBondContact O-N 3.28Å; E489-L491 PolarHBondContact O-N 3.12Å
490	T	98.4	Very high	97.7	Very high	6 Å²	6	33.1 Å²	33.1	4%	0.037	18%	0.178	C	C	.	.			trans	-69.8	125.1	175.5	-52.5	0	0	0	0	110.1	G447 G448 T451 V453 L483 L484 A487 P488 V492	G447-T490 VanDerWaalsContact CA-OG1 3.3Å; G447-T490 WeakPolarHBondContact CA-OG1 3.34Å; G448-T490 PolarHBondContact N-OG1 2.84Å; T451-T490 HydrophobicContact CG2-CG2 3.92Å; V453-T490 HydrophobicContact CG2-CG2 4.13Å; L483-T490 HydrophobicContact CD2-CG2 4.11Å; L483-T490 HydrophobicContact CG-CG2 4.34Å; L484-T490 WeakPolarHBondContact CD2-O 3.06Å; A487-T490 WeakPolarHBondContact O-CB 3.14Å; A487-T490 PolarHBondContact O-N 3.38Å; A487-T490 VanDerWaalsContact O-N 3.08Å; A487-T490 PolarHBondContact O-OG1 3.29Å; P488-T490 PolarHBondContact O-N 2.71Å; T490-V492 HydrophobicContact CG2-CG2 4.44Å
491	L	98.1	Very high	97.7	Very high	44 Å²	44	36.2 Å²	36.2	23%	0.23	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81	123.6	175.1	-169.4	66	0	0	0	110.4	T451 V452 V453 E489 V493 L532 V567	T451-L491 PolarHBondContact O-N 2.99Å; V452-L491 CarbonylContact C-O 3.54Å; V452-L491 WeakPolarHBondContact CA-O 3.03Å; V452-L491 HydrophobicContact CG1-CB 4.4Å; V452-L491 HydrophobicContact CG1-CD2 4.2Å; V452-L491 HydrophobicContact CG2-CB 4.29Å; V452-L491 HydrophobicContact CG2-CD2 4.32Å; V453-L491 PolarHBondContact N-O 3.31Å; E489-L491 PolarHBondContact O-N 3.12Å; L491-V493 HydrophobicContact CD2-CG2 4.46Å; L491-V493 HydrophobicContact CG-CG2 4.33Å; L491-L532 HydrophobicContact CD1-CD1 3.38Å; L491-L532 HydrophobicContact CD1-CG 4.27Å; L491-L532 HydrophobicContact CD2-CD1 4.19Å; L491-L532 HydrophobicContact CG-CD1 3.92Å; L491-V567 HydrophobicContact CD2-CB 4.4Å; L491-V567 HydrophobicContact CD2-CG2 3.67Å
492	V	98.5	Very high	97.6	Very high	3 Å²	3	32.9 Å²	32.9	2%	0.018	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	125.5	177.1	-178.3	0	0	0	0	110	V453 L480 L484 T490 V531 L532	V453-V492 HydrophobicContact CB-CG2 4.39Å; V453-V492 CarbonylContact O-C 3.59Å; L480-V492 HydrophobicContact CD1-CG1 3.91Å; L480-V492 HydrophobicContact CD2-CG1 3.87Å; L480-V492 HydrophobicContact CD2-CG2 4.03Å; L484-V492 HydrophobicContact CD2-CG2 4.05Å; L484-V492 HydrophobicContact CG-CG2 4.44Å; T490-V492 HydrophobicContact CG2-CG2 4.44Å; V492-V531 HydrophobicContact CB-CB 4.46Å; V492-V531 HydrophobicContact CB-CG1 4Å; V492-V531 HydrophobicContact CG1-CB 4.27Å; V492-V531 HydrophobicContact CG1-CG1 3.74Å; V492-L532 PolarHBondContact O-N 2.85Å
493	V	98.3	Very high	97.5	Very high	0 Å²	0	31 Å²	31	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	131.3	179.2	-172	0	0	0	0	109.4	V452 V453 V454 L455 L491 L532 V534 L563	V452-V493 HydrophobicContact CG1-CG2 4.5Å; V453-V493 PolarHBondContact O-N 3.41Å; V454-V493 CarbonylContact C-O 3.59Å; V454-V493 VanDerWaalsContact CA-O 3.31Å; V454-V493 WeakPolarHBondContact CA-O 3.3Å; V454-V493 HydrophobicContact CG2-CB 4.38Å; L455-V493 PolarHBondContact N-O 2.91Å; L491-V493 HydrophobicContact CD2-CG2 4.46Å; L491-V493 HydrophobicContact CG-CG2 4.33Å; V493-L532 CarbonylContact C-O 3.43Å; V493-L532 WeakPolarHBondContact CA-O 3.33Å; V493-L532 HydrophobicContact CG1-CB 4.41Å; V493-L532 HydrophobicContact CG2-CB 4.19Å; V493-L532 HydrophobicContact CG2-CD1 3.97Å; V493-V534 HydrophobicContact CG1-CG2 3.75Å; V493-L563 HydrophobicContact CB-CD1 4.24Å; V493-L563 HydrophobicContact CG1-CD1 4.29Å; V493-L563 HydrophobicContact CG2-CD1 3.63Å
494	I	98.3	Very high	97.4	Very high	2 Å²	2	33 Å²	33	1%	0.01	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	118.6	175.1	-57.7	-177.7	0	0	0	107.3	L522 F526 V531 L532 M533 V534	I494-L522 HydrophobicContact CG2-CD1 4.06Å; I494-L522 HydrophobicContact CG2-CD2 3.88Å; I494-L522 HydrophobicContact CG2-CG 4.11Å; I494-F526 HydrophobicContact CD1-CB 3.8Å; I494-F526 HydrophobicContact CD1-CD1 3.52Å; I494-F526 HydrophobicContact CD1-CD2 3.55Å; I494-F526 HydrophobicContact CD1-CE1 3.97Å; I494-F526 HydrophobicContact CD1-CE2 3.99Å; I494-F526 HydrophobicContact CD1-CG 3.31Å; I494-F526 HydrophobicContact CD1-CZ 4.19Å; I494-V531 HydrophobicContact CD1-CB 4.17Å; I494-V531 HydrophobicContact CD1-CG1 4.37Å; I494-V531 HydrophobicContact CD1-CG2 3.87Å; I494-V531 HydrophobicContact CG1-CB 4.41Å; I494-V531 HydrophobicContact CG1-CG2 4.47Å; I494-L532 PolarHBondContact N-O 2.72Å; I494-M533 HydrophobicContact CB-CE 3.98Å; I494-M533 HydrophobicContact CB-SD 4.05Å; I494-M533 HydrophobicContact CD1-CE 4.49Å; I494-M533 HydrophobicContact CG2-CE 3.85Å; I494-M533 HydrophobicContact CG2-SD 3.86Å; I494-M533 WeakPolarHBondContact O-CA 3.42Å; I494-V534 PolarHBondContact O-N 3.07Å
495	R	97.9	Very high	97.2	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	126.3	168	178	-170.6	169.4	164.4	-3.1	108.3	T376 W380 L455 N498 A536	T376-R495 VanDerWaalsContact CB-CZ 3.47Å; T376-R495 PolarHBondContact O-NH1 2.99Å; W380-R495 HydrophobicContact CH2-CB 4.03Å; W380-R495 HydrophobicContact CH2-CG 4.33Å; W380-R495 HydrophobicContact CZ2-CB 4.02Å; W380-R495 HydrophobicContact CZ2-CG 3.83Å; W380-R495 VanDerWaalsContact NE1-NH1 3.11Å; L455-R495 PolarHBondContact O-N 3.17Å; R495-N498 PolarHBondContact NH2-OD1 3.23Å; R495-A536 HydrophobicContact CG-CB 4.05Å
496	S	96.9	Very high	97.2	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	19%	0.191	C	C	.	.			trans	-79.1	175.6	179.1	100.1	0	0	0	0	112.3	D519 V534 D535 A536 W537	S496-D519 WeakPolarHBondContact CB-OD1 3.43Å; S496-D519 PolarHBondContact OG-OD1 2.79Å; S496-V534 PolarHBondContact N-O 3.43Å; S496-D535 PolarHBondContact OG-OD1 3.34Å; S496-A536 WeakPolarHBondContact O-CB 3.08Å; S496-A536 PolarHBondContact OG-N 3.4Å; S496-A536 VanDerWaalsContact OG-N 3.14Å; S496-W537 PolarHBondContact OG-N 3.35Å
497	A	97.6	Very high	97.1	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	17%	0.172	C	C	.	.			trans	-68.4	161.3	176.5	0	0	0	0	0	111.1	W458 D519 A536 W537	W458-A497 HydrophobicContact CB-CB 4.31Å; W458-A497 HydrophobicContact CD2-CB 3.51Å; W458-A497 HydrophobicContact CE3-CB 3.82Å; W458-A497 HydrophobicContact CG-CB 3.74Å; W458-A497 HydrophobicContact CZ2-CB 4.35Å; W458-A497 HydrophobicContact CZ3-CB 4.36Å; A497-D519 HydrophobicContact CB-CB 3.93Å; A497-D519 PolarHBondContact N-OD1 3.16Å; A497-A536 CarbonylContact O-C 3.59Å; A497-W537 WeakPolarHBondContact O-CA 3.38Å; A497-W537 VanDerWaalsContact O-CB 3.31Å; A497-W537 WeakPolarHBondContact O-CB 3.34Å; A497-W537 PolarHBondContact O-N 3.37Å
498	N	97.4	Very high	97.1	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	17%	0.173	C	C	.	.			trans	-131.3	160.5	173.9	62.2	-103.8	0	0	0	112.8	W458 R495 A536 S540 A548 L549 P551	W458-N498 WeakPolarHBondContact CH2-O 3.25Å; R495-N498 PolarHBondContact NH2-OD1 3.23Å; N498-A536 HydrophobicContact CB-CB 4.1Å; N498-S540 WeakPolarHBondContact CB-OG 3.37Å; N498-A548 PolarHBondContact ND2-O 3.45Å; N498-A548 VanDerWaalsContact ND2-O 3.11Å; N498-L549 PolarHBondContact ND2-O 3.11Å; N498-P551 HydrophobicContact CB-CG 4.44Å
499	L	97.6	Very high	97	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	15%	0.146	C	C	.	.			trans	-66.8	151.4	175.5	-65.7	172.7	0	0	0	111.6	L153 D512 W537 L541 H547 A548	L153-L499 HydrophobicContact CD1-CD1 3.87Å; L153-L499 HydrophobicContact CD1-CD2 3.52Å; L153-L499 HydrophobicContact CD1-CG 4.38Å; L153-L499 HydrophobicContact CD2-CD2 4.37Å; L499-D512 WeakPolarHBondContact CA-OD1 3.47Å; L499-D512 HydrophobicContact CD2-CB 3.96Å; L499-D512 WeakPolarHBondContact CD2-OD2 3.31Å; L499-W537 HydrophobicContact CD2-CD2 4.33Å; L499-W537 HydrophobicContact CD2-CE3 4.11Å; L499-W537 HydrophobicContact CD2-CH2 3.32Å; L499-W537 HydrophobicContact CD2-CZ2 3.59Å; L499-W537 HydrophobicContact CD2-CZ3 3.6Å; L499-W537 HydrophobicContact CG-CD2 4.42Å; L499-W537 HydrophobicContact CG-CE3 4.32Å; L499-W537 HydrophobicContact CG-CH2 4.34Å; L499-W537 HydrophobicContact CG-CZ2 4.45Å; L499-W537 HydrophobicContact CG-CZ3 4.27Å; L499-L541 HydrophobicContact CD1-CB 3.66Å; L499-L541 HydrophobicContact CD1-CD1 3.84Å; L499-L541 HydrophobicContact CD1-CG 4.26Å; L499-H547 HydrophobicContact CB-CB 3.96Å; L499-H547 VanDerWaalsContact CD1-NE2 3.25Å; L499-H547 WeakPolarHBondContact CD1-NE2 3.22Å; L499-A548 CarbonylContact O-C 3.41Å; L499-A548 PolarHBondContact O-N 3.32Å; L499-A548 VanDerWaalsContact O-O 3.06Å
500	Q	96.7	Very high	96.9	Very high	7 Å²	7	20.5 Å²	20.5	3%	0.033	12%	0.122	C	C	.	.			trans	-134.8	166.5	176.4	74.1	-168.2	-81.3	0	0	114	K297 L502 V506 N510 D512 H547 L549	K297-Q500 PolarHBondContact NZ-O 2.65Å; Q500-L502 HydrophobicContact CG-CD2 3.77Å; Q500-V506 HydrophobicContact CG-CG1 4.44Å; Q500-N510 PolarHBondContact NE2-O 2.03Å; Q500-D512 PolarHBondContact N-OD1 2.99Å; Q500-H547 CarbonylContact C-O 3.59Å; Q500-L549 HydrophobicContact CB-CB 3.97Å; Q500-L549 VanDerWaalsContact CB-N 3.35Å
501	A	96.9	Very high	96.8	Very high	64 Å²	64	20.2 Å²	20.2	53%	0.529	12%	0.121	S	C	.	.			trans	-66.1	136.4	169.3	0	0	0	0	0	109.4	H547	A501-H547 PolarHBondContact N-O 3.46Å
502	L	97.1	Very high	96.8	Very high	24 Å²	24	18.1 Å²	18.1	13%	0.126	11%	0.11	C	C	.	.			trans	-119.9	136.2	-179.3	-62.6	-177.1	0	0	0	110.7	V196 I296 K297 Q500 V506 D512	V196-L502 HydrophobicContact CG1-CD1 3.65Å; I296-L502 HydrophobicContact CG2-CB 3.6Å; K297-L502 HydrophobicContact CD-CB 4.2Å; K297-L502 HydrophobicContact CD-CD1 4.15Å; K297-L502 HydrophobicContact CD-CG 4.12Å; K297-L502 HydrophobicContact CG-CB 4.39Å; K297-L502 HydrophobicContact CG-CD1 4.12Å; Q500-L502 HydrophobicContact CG-CD2 3.77Å; L502-V506 HydrophobicContact CD2-CG1 3.81Å; L502-D512 HydrophobicContact CD1-CB 4.26Å
503	D	95.9	Very high	96.8	Very high	71 Å²	71	18 Å²	18	38%	0.38	11%	0.109	S	C	.	.			trans	-126.6	-175.1	161	64.9	28.7	0	0	0	109	E505 V506 S507	D503-E505 VanDerWaalsContact C-N 3.28Å; D503-E505 PolarHBondContact O-N 2.78Å; D503-E505 WeakPolarHBondContact OD1-CA 3.49Å; D503-E505 PolarHBondContact OD1-N 3.39Å; D503-V506 WeakPolarHBondContact OD1-CG2 3.22Å; D503-V506 PolarHBondContact OD1-N 2.03Å; D503-S507 VanDerWaalsContact O-CB 3.28Å; D503-S507 WeakPolarHBondContact O-CB 3.37Å; D503-S507 PolarHBondContact O-N 3.17Å; D503-S507 PolarHBondContact O-OG 2.69Å
504	A	95.1	Very high	96.8	Very high	42 Å²	42	18 Å²	18	35%	0.347	11%	0.109	S	C	.	.	H	α-helix	trans	-54.4	-43.6	178.6	0	0	0	0	0	112.8	F290 L508	F290-A504 HydrophobicContact CB-CB 4.35Å; F290-A504 WeakPolarHBondContact O-CB 3.43Å; A504-L508 WeakPolarHBondContact O-CG 3.45Å
505	E	94.7	Very high	96.8	Very high	82 Å²	82	18 Å²	18	38%	0.383	11%	0.108	S	C	.	.	H	α-helix	trans	-75.5	-50.7	-176.2	-170.7	176.3	164.4	0	0	111.3	K279 D503 S507 L508 Y509	K279-E505 IonicContact NZ-OE1 2.71Å; K279-E505 PolarHBondContact NZ-OE1 3.04Å; K279-E505 IonicContact NZ-OE2 3.16Å; K279-E505 PolarHBondContact NZ-OE2 3.16Å; D503-E505 VanDerWaalsContact C-N 3.28Å; D503-E505 PolarHBondContact O-N 2.78Å; D503-E505 WeakPolarHBondContact OD1-CA 3.49Å; D503-E505 PolarHBondContact OD1-N 3.39Å; E505-S507 PolarHBondContact O-N 2.85Å; E505-L508 PolarHBondContact O-N 2.9Å; E505-Y509 HydrophobicContact CG-CD2 3.95Å; E505-Y509 HydrophobicContact CG-CE2 3.61Å; E505-Y509 WeakPolarHBondContact O-CD2 3.32Å
506	V	96	Very high	96.8	Very high	37 Å²	37	19.5 Å²	19.5	22%	0.224	12%	0.117	C	C	.	.	H	α-helix	trans	-58.9	-35.4	-179.8	179.6	0	0	0	0	110.6	Q500 L502 D503 L508 Y509 N510 S511	Q500-V506 HydrophobicContact CG-CG1 4.44Å; L502-V506 HydrophobicContact CD2-CG1 3.81Å; D503-V506 WeakPolarHBondContact OD1-CG2 3.22Å; D503-V506 PolarHBondContact OD1-N 2.03Å; V506-L508 VanDerWaalsContact C-N 3.26Å; V506-L508 PolarHBondContact O-N 2.54Å; V506-Y509 PolarHBondContact O-N 3.45Å; V506-N510 HydrophobicContact CG1-CB 4.2Å; V506-N510 CarbonylContact O-C 3.48Å; V506-N510 VanDerWaalsContact O-C 3.3Å; V506-N510 WeakPolarHBondContact O-CA 3.41Å; V506-N510 PolarHBondContact O-N 2.98Å; V506-S511 PolarHBondContact O-N 2.97Å
507	S	97.1	Very high	96.9	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-57.4	-36.9	175	-60.7	0	0	0	0	112.6	H197 L205 D503 E505 Y509 S511	H197-S507 PolarHBondContact CE1-OG 3.43Å; L205-S507 VanDerWaalsContact CD2-O 3.28Å; L205-S507 WeakPolarHBondContact CD2-O 3.46Å; D503-S507 VanDerWaalsContact O-CB 3.28Å; D503-S507 WeakPolarHBondContact O-CB 3.37Å; D503-S507 PolarHBondContact O-N 3.17Å; D503-S507 PolarHBondContact O-OG 2.69Å; E505-S507 PolarHBondContact O-N 2.85Å; S507-Y509 PolarHBondContact O-N 2.86Å; S507-S511 WeakPolarHBondContact O-CB 3.29Å; S507-S511 PolarHBondContact O-N 3.11Å
508	L	96.8	Very high	96.9	Very high	18 Å²	18	20 Å²	20	9%	0.094	12%	0.119	C	C	.	.	H	α-helix	trans	-74.9	-27.3	-177.7	-56	-178.6	0	0	0	113.3	L205 L208 R215 L281 L282 F290 A504 E505 V506	L205-L508 HydrophobicContact CD2-CD2 4.12Å; L208-L508 HydrophobicContact CD1-CD2 3.92Å; R215-L508 PolarHBondContact NE-O 3.3Å; R215-L508 PolarHBondContact NH2-O 2.94Å; R215-L508 VanDerWaalsContact NH2-O 3.16Å; L281-L508 HydrophobicContact CD1-CD1 4.45Å; L282-L508 HydrophobicContact CD1-CD1 3.98Å; L282-L508 HydrophobicContact CD1-CD2 4.01Å; L282-L508 HydrophobicContact CD2-CD1 4.5Å; L282-L508 HydrophobicContact CD2-CD2 4.03Å; L282-L508 HydrophobicContact CG-CD1 4Å; L282-L508 HydrophobicContact CG-CD2 4.26Å; F290-L508 HydrophobicContact CD1-CD2 4.42Å; F290-L508 HydrophobicContact CD2-CD2 4.32Å; F290-L508 HydrophobicContact CE1-CD2 4.25Å; F290-L508 HydrophobicContact CE2-CD2 4.15Å; F290-L508 HydrophobicContact CG-CD2 4.45Å; F290-L508 HydrophobicContact CZ-CD2 4.1Å; A504-L508 WeakPolarHBondContact O-CG 3.45Å; E505-L508 PolarHBondContact O-N 2.9Å; V506-L508 VanDerWaalsContact C-N 3.26Å; V506-L508 PolarHBondContact O-N 2.54Å
509	Y	95.4	Very high	96.9	Very high	6 Å²	6	20 Å²	20	2%	0.024	12%	0.119	C	C	.	.	H	α-helix	trans	-106.5	-38.4	-175.3	-57.7	-71.8	0	0	0	113.8	R215 V216 Y277 L278 L281 R426 S462 T463 E505 V506 S507	R215-Y509 HydrophobicContact CB-CE1 4.19Å; R215-Y509 HydrophobicContact CG-CD1 4.08Å; R215-Y509 HydrophobicContact CG-CE1 3.87Å; V216-Y509 HydrophobicContact CG2-CD1 3.9Å; V216-Y509 HydrophobicContact CG2-CE1 4.48Å; Y277-Y509 AromaticContact CD1-CD1 3.41Å; Y277-Y509 HydrophobicContact CD1-CD1 3.41Å; Y277-Y509 VanDerWaalsContact CD1-CD1 3.41Å; Y277-Y509 HydrophobicContact CD1-CD2 4.15Å; Y277-Y509 AromaticContact CD1-CE1 3.55Å; Y277-Y509 HydrophobicContact CD1-CE1 3.55Å; Y277-Y509 HydrophobicContact CD1-CE2 4.29Å; Y277-Y509 AromaticContact CD1-CG 3.74Å; Y277-Y509 HydrophobicContact CD1-CG 3.74Å; Y277-Y509 AromaticContact CE1-CD1 3.94Å; Y277-Y509 HydrophobicContact CE1-CD1 3.94Å; Y277-Y509 HydrophobicContact CE1-CE1 4.5Å; Y277-Y509 AromaticContact CE1-CG 3.98Å; Y277-Y509 HydrophobicContact CE1-CG 3.98Å; Y277-Y509 HydrophobicContact CG-CD1 4.31Å; Y277-Y509 HydrophobicContact CG-CD2 4.5Å; Y277-Y509 HydrophobicContact CG-CE1 4.1Å; Y277-Y509 HydrophobicContact CG-CE2 4.32Å; L278-Y509 PolarHBondContact O-OH 2.8Å; L281-Y509 HydrophobicContact CD1-CE1 4.09Å; R426-Y509 PolarHBondContact NH1-O 3.19Å; S462-Y509 WeakPolarHBondContact CB-O 3.26Å; S462-Y509 PolarHBondContact OG-O 2.82Å; T463-Y509 HydrophobicContact CG2-CD1 4.29Å; T463-Y509 WeakPolarHBondContact CG2-O 3.31Å; E505-Y509 HydrophobicContact CG-CD2 3.95Å; E505-Y509 HydrophobicContact CG-CE2 3.61Å; E505-Y509 WeakPolarHBondContact O-CD2 3.32Å; V506-Y509 PolarHBondContact O-N 3.45Å; S507-Y509 PolarHBondContact O-N 2.86Å
510	N	94.4	Very high	96.9	Very high	25 Å²	25	22.3 Å²	22.3	13%	0.134	13%	0.133	C	C	.	.	H	α-helix	trans	-138.7	35.7	-172.2	-49.7	-53.7	0	0	0	111.3	R426 S462 Q500 V506 D512	R426-N510 PolarHBondContact NH1-OD1 2.85Å; S462-N510 PolarHBondContact OG-OD1 3.26Å; Q500-N510 PolarHBondContact NE2-O 2.03Å; V506-N510 HydrophobicContact CG1-CB 4.2Å; V506-N510 CarbonylContact O-C 3.48Å; V506-N510 VanDerWaalsContact O-C 3.3Å; V506-N510 WeakPolarHBondContact O-CA 3.41Å; V506-N510 PolarHBondContact O-N 2.98Å; N510-D512 PolarHBondContact O-N 3.47Å
511	S	96.9	Very high	97	Very high	0 Å²	0	22 Å²	22	0%	0	13%	0.131	C	C	.	.			trans	-51.9	142.5	173.9	168	0	0	0	0	111.9	H197 V506 S507 W513 Y514 S515	H197-S511 PolarHBondContact CD2-OG 3.49Å; H197-S511 PolarHBondContact NE2-OG 3.27Å; V506-S511 PolarHBondContact O-N 2.97Å; S507-S511 WeakPolarHBondContact O-CB 3.29Å; S507-S511 PolarHBondContact O-N 3.11Å; S511-W513 PolarHBondContact O-N 3.38Å; S511-W513 WeakPolarHBondContact OG-CB 3.36Å; S511-W513 PolarHBondContact OG-N 3.33Å; S511-Y514 WeakPolarHBondContact O-CB 3.31Å; S511-Y514 PolarHBondContact O-N 3.01Å; S511-S515 PolarHBondContact O-N 2.72Å; S511-S515 VanDerWaalsContact O-N 3.11Å; S511-S515 PolarHBondContact O-OG 2.98Å
512	D	98.1	Very high	97.1	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-59.4	-23.9	171.4	-74.8	-20.4	0	0	0	112.5	F151 V196 K297 L499 Q500 L502 N510 S515 L516 W537	F151-D512 HydrophobicContact CE1-CB 3.81Å; F151-D512 HydrophobicContact CZ-CB 4.34Å; V196-D512 HydrophobicContact CG1-CB 4.46Å; K297-D512 WeakPolarHBondContact CE-OD2 3.32Å; K297-D512 IonicContact NZ-OD2 3.21Å; K297-D512 PolarHBondContact NZ-OD2 3.15Å; L499-D512 WeakPolarHBondContact CA-OD1 3.47Å; L499-D512 HydrophobicContact CD2-CB 3.96Å; L499-D512 WeakPolarHBondContact CD2-OD2 3.31Å; Q500-D512 PolarHBondContact N-OD1 2.99Å; L502-D512 HydrophobicContact CD1-CB 4.26Å; N510-D512 PolarHBondContact O-N 3.47Å; D512-S515 PolarHBondContact O-N 3.43Å; D512-L516 WeakPolarHBondContact O-CB 3.48Å; D512-L516 PolarHBondContact O-N 2.86Å; D512-W537 HydrophobicContact CB-CH2 4.12Å; D512-W537 WeakPolarHBondContact O-CH2 3.44Å
513	W	98.1	Very high	97	Very high	1 Å²	1	20.4 Å²	20.4	0%	0.004	11%	0.112	C	C	.	.	H	α-helix	trans	-65	-42.8	172.7	-178.2	78	0	0	0	111.2	W91 F151 V202 L205 K206 S511 S515 Q517	W91-W513 HydrophobicContact CB-CZ2 3.93Å; W91-W513 AromaticContact CD1-NE1 3.89Å; W91-W513 AromaticContact CD2-NE1 3.33Å; W91-W513 VanDerWaalsContact CD2-NE1 3.33Å; W91-W513 AromaticContact CE2-NE1 3.49Å; W91-W513 AromaticContact CE3-NE1 3.73Å; W91-W513 AromaticContact CG-CZ2 4Å; W91-W513 HydrophobicContact CG-CZ2 4Å; W91-W513 AromaticContact CG-NE1 3.61Å; W91-W513 AromaticContact NE1-NE1 3.8Å; F151-W513 HydrophobicContact CD1-CB 3.68Å; F151-W513 HydrophobicContact CD1-CG 4.38Å; F151-W513 HydrophobicContact CE1-CB 4.03Å; F151-W513 VanDerWaalsContact CE1-N 3.35Å; F151-W513 HydrophobicContact CG-CB 4.33Å; F151-W513 AromaticContact CG-CD1 3.98Å; V202-W513 HydrophobicContact CG1-CD2 3.87Å; V202-W513 HydrophobicContact CG1-CE3 4.49Å; V202-W513 HydrophobicContact CG1-CG 4.28Å; V202-W513 HydrophobicContact CG1-CH2 4.26Å; V202-W513 HydrophobicContact CG1-CZ2 3.61Å; V202-W513 HydrophobicContact CG2-CG 4.25Å; L205-W513 HydrophobicContact CB-CE3 4.06Å; L205-W513 HydrophobicContact CB-CZ3 4.26Å; L205-W513 HydrophobicContact CD1-CB 4.38Å; L205-W513 HydrophobicContact CD1-CE3 4.5Å; K206-W513 HydrophobicContact CB-CH2 3.82Å; K206-W513 HydrophobicContact CB-CZ3 4.26Å; K206-W513 HydrophobicContact CG-CH2 4.26Å; S511-W513 PolarHBondContact O-N 3.38Å; S511-W513 WeakPolarHBondContact OG-CB 3.36Å; S511-W513 PolarHBondContact OG-N 3.33Å; W513-S515 VanDerWaalsContact C-N 3.35Å; W513-Q517 HydrophobicContact CD2-CG 4.36Å; W513-Q517 HydrophobicContact CZ2-CG 4.26Å; W513-Q517 WeakPolarHBondContact O-CG 3.35Å; W513-Q517 PolarHBondContact O-N 2.91Å
514	Y	97.9	Very high	97	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-63	-45	172.5	-59.3	-47.8	0	0	0	110.8	L205 R209 R215 S511 L516 Q517 L518	L205-Y514 VanDerWaalsContact CA-OH 3.23Å; L205-Y514 WeakPolarHBondContact CA-OH 3.36Å; L205-Y514 HydrophobicContact CB-CE1 3.88Å; L205-Y514 WeakPolarHBondContact CB-OH 3.39Å; L205-Y514 HydrophobicContact CD2-CE2 4.06Å; L205-Y514 WeakPolarHBondContact CD2-OH 3.2Å; L205-Y514 WeakPolarHBondContact O-CE1 3.43Å; L205-Y514 PolarHBondContact O-OH 3.11Å; R209-Y514 HydrophobicContact CB-CE1 3.84Å; R209-Y514 HydrophobicContact CG-CE1 4.41Å; R215-Y514 VanDerWaalsContact NH2-CZ 3.33Å; R215-Y514 PolarHBondContact NH2-OH 3.19Å; S511-Y514 WeakPolarHBondContact O-CB 3.31Å; S511-Y514 PolarHBondContact O-N 3.01Å; Y514-L516 PolarHBondContact O-N 3.03Å; Y514-Q517 WeakPolarHBondContact O-CB 3.42Å; Y514-Q517 PolarHBondContact O-N 2.85Å; Y514-L518 WeakPolarHBondContact O-CG 3.5Å; Y514-L518 PolarHBondContact O-N 3.19Å
515	S	98.1	Very high	97.1	Very high	0 Å²	0	16 Å²	16	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-59.4	-43.7	-179.8	-52.2	0	0	0	0	112.1	W458 S511 D512 W513 Q517 L518 D519	W458-S515 VanDerWaalsContact CZ3-OG 3.26Å; W458-S515 WeakPolarHBondContact CZ3-OG 3.41Å; S511-S515 PolarHBondContact O-N 2.72Å; S511-S515 VanDerWaalsContact O-N 3.11Å; S511-S515 PolarHBondContact O-OG 2.98Å; D512-S515 PolarHBondContact O-N 3.43Å; W513-S515 VanDerWaalsContact C-N 3.35Å; S515-Q517 VanDerWaalsContact C-N 3.31Å; S515-Q517 PolarHBondContact O-N 3.38Å; S515-L518 PolarHBondContact O-N 3.11Å; S515-D519 WeakPolarHBondContact O-CB 3.38Å; S515-D519 PolarHBondContact O-N 3.41Å
516	L	98	Very high	97.2	Very high	33 Å²	33	12.5 Å²	12.5	17%	0.173	7%	0.068	C	C	.	.	H	α-helix	trans	-59.5	-42.4	176	177.2	62.1	0	0	0	111.9	W91 F151 D512 Y514 D519 T520 W537	W91-L516 HydrophobicContact CZ3-CD2 4.28Å; F151-L516 HydrophobicContact CD2-CD2 4.19Å; F151-L516 HydrophobicContact CE2-CD2 3.5Å; F151-L516 VanDerWaalsContact CE2-CD2 3.5Å; F151-L516 HydrophobicContact CZ-CB 4.39Å; F151-L516 HydrophobicContact CZ-CD2 4.04Å; D512-L516 WeakPolarHBondContact O-CB 3.48Å; D512-L516 PolarHBondContact O-N 2.86Å; Y514-L516 PolarHBondContact O-N 3.03Å; L516-D519 PolarHBondContact O-N 2.78Å; L516-T520 WeakPolarHBondContact O-CB 3.15Å; L516-T520 PolarHBondContact O-N 3.29Å; L516-T520 PolarHBondContact O-OG1 3.29Å; L516-W537 HydrophobicContact CB-CH2 3.6Å; L516-W537 HydrophobicContact CB-CZ2 3.87Å; L516-W537 HydrophobicContact CB-CZ3 4.22Å; L516-W537 HydrophobicContact CD1-CH2 4.31Å; L516-W537 HydrophobicContact CD1-CZ2 3.75Å; L516-W537 HydrophobicContact CG-CH2 4.47Å; L516-W537 HydrophobicContact CG-CZ2 4.25Å
517	Q	98.2	Very high	97	Very high	8 Å²	8	19.2 Å²	19.2	4%	0.037	9%	0.09	C	C	.	.	H	α-helix	trans	-65.1	-43.4	180	-61.4	-97.1	-69.4	0	0	110.5	I89 R209 W513 Y514 S515 V521	I89-Q517 HydrophobicContact CD1-CB 4.35Å; I89-Q517 PolarHBondContact O-NE2 3.5Å; I89-Q517 PolarHBondContact O-OE1 3.06Å; R209-Q517 VanDerWaalsContact NH2-OE1 3.13Å; W513-Q517 HydrophobicContact CD2-CG 4.36Å; W513-Q517 HydrophobicContact CZ2-CG 4.26Å; W513-Q517 WeakPolarHBondContact O-CG 3.35Å; W513-Q517 PolarHBondContact O-N 2.91Å; Y514-Q517 WeakPolarHBondContact O-CB 3.42Å; Y514-Q517 PolarHBondContact O-N 2.85Å; S515-Q517 VanDerWaalsContact C-N 3.31Å; S515-Q517 PolarHBondContact O-N 3.38Å; Q517-V521 WeakPolarHBondContact O-CG2 3.42Å; Q517-V521 PolarHBondContact O-N 3.21Å; Q517-V521 VanDerWaalsContact O-N 3.15Å
518	L	98.4	Very high	96.6	Very high	1 Å²	1	23.3 Å²	23.3	1%	0.005	13%	0.132	C	C	.	.	H	α-helix	trans	-66.7	-39	174.7	-59.3	-179.8	0	0	0	111.9	W458 F461 Y469 Y514 S515 V521 L522	W458-L518 HydrophobicContact CB-CD1 4.44Å; W458-L518 WeakPolarHBondContact O-CD1 3.09Å; F461-L518 HydrophobicContact CB-CD1 4Å; Y469-L518 HydrophobicContact CD1-CB 4.15Å; Y469-L518 HydrophobicContact CD1-CD2 3.41Å; Y469-L518 VanDerWaalsContact CD1-CD2 3.41Å; Y469-L518 HydrophobicContact CD1-CG 4.32Å; Y469-L518 HydrophobicContact CD2-CD2 4.4Å; Y469-L518 HydrophobicContact CE1-CB 3.77Å; Y469-L518 HydrophobicContact CE1-CD2 3.96Å; Y469-L518 HydrophobicContact CE1-CG 4.4Å; Y469-L518 VanDerWaalsContact CE1-O 3.28Å; Y469-L518 WeakPolarHBondContact CE1-O 3.46Å; Y469-L518 HydrophobicContact CG-CD2 3.64Å; Y514-L518 WeakPolarHBondContact O-CG 3.5Å; Y514-L518 PolarHBondContact O-N 3.19Å; S515-L518 PolarHBondContact O-N 3.11Å; L518-V521 PolarHBondContact O-N 3.29Å; L518-L522 VanDerWaalsContact O-CB 3.31Å; L518-L522 WeakPolarHBondContact O-CB 3.39Å; L518-L522 PolarHBondContact O-N 3.37Å
519	D	98.1	Very high	96.5	Very high	2 Å²	2	24 Å²	24	1%	0.011	14%	0.135	C	C	.	.	H	α-helix	trans	-62.2	-44.6	176.9	-168.7	68	0	0	0	111.9	S496 A497 S515 L516 L522 K523	S496-D519 WeakPolarHBondContact CB-OD1 3.43Å; S496-D519 PolarHBondContact OG-OD1 2.79Å; A497-D519 HydrophobicContact CB-CB 3.93Å; A497-D519 PolarHBondContact N-OD1 3.16Å; S515-D519 WeakPolarHBondContact O-CB 3.38Å; S515-D519 PolarHBondContact O-N 3.41Å; L516-D519 PolarHBondContact O-N 2.78Å; D519-L522 WeakPolarHBondContact O-CB 3.19Å; D519-L522 PolarHBondContact O-N 2.84Å; D519-K523 WeakPolarHBondContact O-CG 3.45Å; D519-K523 PolarHBondContact O-N 3.29Å; D519-K523 WeakPolarHBondContact OD2-CD 3.26Å; D519-K523 WeakPolarHBondContact OD2-CE 3.23Å; D519-K523 IonicContact OD2-NZ 3.88Å; D519-K523 PolarHBondContact OD2-NZ 3.22Å
520	T	97.4	Very high	96.3	Very high	47 Å²	47	29.6 Å²	29.6	29%	0.288	17%	0.166	S	C	.	.	H	α-helix	trans	-61.4	-47.2	177.8	-56.8	0	0	0	0	110.8	I89 L516 L522 K523 A524	I89-T520 HydrophobicContact CG2-CG2 3.68Å; L516-T520 WeakPolarHBondContact O-CB 3.15Å; L516-T520 PolarHBondContact O-N 3.29Å; L516-T520 PolarHBondContact O-OG1 3.29Å; T520-L522 PolarHBondContact O-N 2.94Å; T520-K523 PolarHBondContact O-N 3.25Å; T520-A524 WeakPolarHBondContact O-CB 3.49Å; T520-A524 PolarHBondContact O-N 2.92Å
521	V	98.4	Very high	96.3	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-62.9	-41.7	175.6	169.3	0	0	0	0	111.6	L85 I89 V466 Y469 I470 L473 Q517 L518 A524 M525	L85-V521 HydrophobicContact CD1-CG1 4.49Å; I89-V521 HydrophobicContact CD1-CG2 4.02Å; I89-V521 HydrophobicContact CG2-CG2 3.84Å; V466-V521 HydrophobicContact CG1-CG2 3.92Å; Y469-V521 HydrophobicContact CD1-CB 4.43Å; Y469-V521 HydrophobicContact CD1-CG1 4.07Å; Y469-V521 HydrophobicContact CE1-CB 4.41Å; Y469-V521 HydrophobicContact CE1-CG1 4.24Å; I470-V521 HydrophobicContact CD1-CG1 4.49Å; I470-V521 HydrophobicContact CG1-CG1 3.6Å; L473-V521 HydrophobicContact CD1-CG1 4.23Å; Q517-V521 WeakPolarHBondContact O-CG2 3.42Å; Q517-V521 PolarHBondContact O-N 3.21Å; Q517-V521 VanDerWaalsContact O-N 3.15Å; L518-V521 PolarHBondContact O-N 3.29Å; V521-A524 PolarHBondContact O-N 3.37Å; V521-M525 VanDerWaalsContact O-CB 3.22Å; V521-M525 WeakPolarHBondContact O-CB 3.32Å; V521-M525 PolarHBondContact O-N 3.4Å
522	L	98.2	Very high	96.1	Very high	5 Å²	5	30.9 Å²	30.9	3%	0.026	17%	0.173	C	C	.	.	H	α-helix	trans	-59.4	-51.9	177.6	-179.5	72.2	0	0	0	111	L473 I494 L518 D519 T520 A524 M525 F526	L473-L522 HydrophobicContact CD1-CB 4.16Å; L473-L522 HydrophobicContact CD1-CD1 3.74Å; L473-L522 HydrophobicContact CD2-CD1 3.76Å; L473-L522 HydrophobicContact CG-CD1 4.4Å; I494-L522 HydrophobicContact CG2-CD1 4.06Å; I494-L522 HydrophobicContact CG2-CD2 3.88Å; I494-L522 HydrophobicContact CG2-CG 4.11Å; L518-L522 VanDerWaalsContact O-CB 3.31Å; L518-L522 WeakPolarHBondContact O-CB 3.39Å; L518-L522 PolarHBondContact O-N 3.37Å; D519-L522 WeakPolarHBondContact O-CB 3.19Å; D519-L522 PolarHBondContact O-N 2.84Å; T520-L522 PolarHBondContact O-N 2.94Å; L522-A524 VanDerWaalsContact C-N 3.31Å; L522-A524 PolarHBondContact O-N 3.14Å; L522-M525 PolarHBondContact O-N 2.96Å; L522-F526 HydrophobicContact CD1-CD2 3.82Å; L522-F526 HydrophobicContact CD1-CE2 3.67Å; L522-F526 HydrophobicContact CG-CD2 4.46Å; L522-F526 WeakPolarHBondContact O-CD2 3.3Å; L522-F526 PolarHBondContact O-N 2.68Å
523	K	96.3	Very high	95.9	Very high	51 Å²	51	33.6 Å²	33.6	22%	0.222	19%	0.186	C	C	.	.	H	α-helix	trans	-60.7	-39.9	179	-72.9	170.8	174.3	167.5	0	111.8	D519 T520 R527 M533 D535	D519-K523 WeakPolarHBondContact O-CG 3.45Å; D519-K523 PolarHBondContact O-N 3.29Å; D519-K523 WeakPolarHBondContact OD2-CD 3.26Å; D519-K523 WeakPolarHBondContact OD2-CE 3.23Å; D519-K523 IonicContact OD2-NZ 3.88Å; D519-K523 PolarHBondContact OD2-NZ 3.22Å; T520-K523 PolarHBondContact O-N 3.25Å; K523-R527 PolarHBondContact O-N 2.78Å; K523-M533 HydrophobicContact CG-CE 4.28Å; K523-M533 HydrophobicContact CG-SD 4.4Å; K523-D535 WeakPolarHBondContact CE-OD2 3.44Å; K523-D535 IonicContact NZ-OD1 3.61Å; K523-D535 PolarHBondContact NZ-OD1 3.43Å; K523-D535 IonicContact NZ-OD2 3.44Å; K523-D535 PolarHBondContact NZ-OD2 2.69Å
524	A	96.3	Very high	95.8	Very high	18 Å²	18	33.6 Å²	33.6	15%	0.149	19%	0.187	C	C	.	.	H	α-helix	trans	-69.9	-43.1	177.6	0	0	0	0	0	112.7	L85 T520 V521 L522 F526 R527	L85-A524 HydrophobicContact CD2-CB 3.46Å; L85-A524 VanDerWaalsContact CD2-CB 3.46Å; T520-A524 WeakPolarHBondContact O-CB 3.49Å; T520-A524 PolarHBondContact O-N 2.92Å; V521-A524 PolarHBondContact O-N 3.37Å; L522-A524 VanDerWaalsContact C-N 3.31Å; L522-A524 PolarHBondContact O-N 3.14Å; A524-F526 VanDerWaalsContact C-N 3.29Å; A524-F526 PolarHBondContact O-N 2.96Å; A524-R527 VanDerWaalsContact O-CB 3.32Å; A524-R527 WeakPolarHBondContact O-CB 3.48Å; A524-R527 PolarHBondContact O-N 3.39Å
525	M	96.9	Very high	95.7	Very high	3 Å²	3	34.4 Å²	34.4	2%	0.015	19%	0.191	C	C	.	.	H	α-helix	trans	-58.7	-39.3	-179.1	175.4	62.4	73.3	0	0	112.8	L85 I470 L473 R474 R477 V521 L522	L85-M525 HydrophobicContact CD1-CE 3.52Å; I470-M525 HydrophobicContact CG2-CE 4.06Å; L473-M525 HydrophobicContact CB-CE 4.2Å; L473-M525 HydrophobicContact CB-CG 3.83Å; L473-M525 HydrophobicContact CD1-CB 4.24Å; L473-M525 HydrophobicContact CD1-CG 4.37Å; R474-M525 HydrophobicContact CB-CE 4.08Å; R477-M525 HydrophobicContact CB-SD 4.4Å; R477-M525 WeakPolarHBondContact CD-O 3.43Å; R477-M525 VanDerWaalsContact CZ-SD 3.54Å; R477-M525 PolarHBondContact NH1-O 3.16Å; R477-M525 PolarHBondContact NH1-SD 2.84Å; V521-M525 VanDerWaalsContact O-CB 3.22Å; V521-M525 WeakPolarHBondContact O-CB 3.32Å; V521-M525 PolarHBondContact O-N 3.4Å; L522-M525 PolarHBondContact O-N 2.96Å
526	F	96	Very high	95.7	Very high	7 Å²	7	34.4 Å²	34.4	3%	0.031	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.9	4.8	-177.3	-68.8	-75.9	0	0	0	113.7	L473 I476 R477 L480 I494 L522 A524 G528 M529 V531	L473-F526 HydrophobicContact CB-CE2 4.3Å; L473-F526 HydrophobicContact CD1-CE2 4.4Å; L473-F526 HydrophobicContact CD2-CE2 4.18Å; I476-F526 HydrophobicContact CG2-CZ 4.02Å; R477-F526 HydrophobicContact CB-CE1 3.83Å; R477-F526 HydrophobicContact CB-CZ 4.24Å; R477-F526 HydrophobicContact CG-CD1 4.18Å; R477-F526 HydrophobicContact CG-CE1 3.9Å; L480-F526 HydrophobicContact CD1-CD1 4.4Å; L480-F526 HydrophobicContact CD1-CE1 3.76Å; I494-F526 HydrophobicContact CD1-CB 3.8Å; I494-F526 HydrophobicContact CD1-CD1 3.52Å; I494-F526 HydrophobicContact CD1-CD2 3.55Å; I494-F526 HydrophobicContact CD1-CE1 3.97Å; I494-F526 HydrophobicContact CD1-CE2 3.99Å; I494-F526 HydrophobicContact CD1-CG 3.31Å; I494-F526 HydrophobicContact CD1-CZ 4.19Å; L522-F526 HydrophobicContact CD1-CD2 3.82Å; L522-F526 HydrophobicContact CD1-CE2 3.67Å; L522-F526 HydrophobicContact CG-CD2 4.46Å; L522-F526 WeakPolarHBondContact O-CD2 3.3Å; L522-F526 PolarHBondContact O-N 2.68Å; A524-F526 VanDerWaalsContact C-N 3.29Å; A524-F526 PolarHBondContact O-N 2.96Å; F526-G528 PolarHBondContact O-N 2.88Å; F526-M529 HydrophobicContact CD1-CE 4.45Å; F526-M529 HydrophobicContact CD1-SD 3.71Å; F526-M529 HydrophobicContact CE1-SD 4.32Å; F526-M529 PolarHBondContact O-N 2.82Å; F526-V531 HydrophobicContact CB-CG2 4.07Å
527	R	92.2	Very high	95.7	Very high	178 Å²	178	33.6 Å²	33.6	67%	0.672	19%	0.185	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.5	133.2	176.9	-175.3	-179.8	-69.2	173.6	-1.5	110.2	K523 A524 M529	K523-R527 PolarHBondContact O-N 2.78Å; A524-R527 VanDerWaalsContact O-CB 3.32Å; A524-R527 WeakPolarHBondContact O-CB 3.48Å; A524-R527 PolarHBondContact O-N 3.39Å; R527-M529 PolarHBondContact O-N 2.76Å
528	G	89.1	Confident	95.7	Very high	86 Å²	86	34.7 Å²	34.7	89%	0.887	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	trans	78.9	-0.2	178.3	0	0	0	0	0	114.8	F526	F526-G528 PolarHBondContact O-N 2.88Å
529	M	93.3	Very high	95.7	Very high	33 Å²	33	34.7 Å²	34.7	16%	0.163	19%	0.191	C	C	.	.	S	Bend	trans	-84.6	153.7	167.5	-67.7	-175.2	62.1	0	0	111.1	R477 L480 L481 F526 R527 V531	R477-M529 HydrophobicContact CG-CE 4.02Å; R477-M529 HydrophobicContact CG-SD 3.22Å; R477-M529 WeakPolarHBondContact CG-SD 3.36Å; L480-M529 HydrophobicContact CB-CE 4.01Å; L481-M529 HydrophobicContact CD2-CE 3.81Å; L481-M529 HydrophobicContact CG-CE 3.87Å; F526-M529 HydrophobicContact CD1-CE 4.45Å; F526-M529 HydrophobicContact CD1-SD 3.71Å; F526-M529 HydrophobicContact CE1-SD 4.32Å; F526-M529 PolarHBondContact O-N 2.82Å; R527-M529 PolarHBondContact O-N 2.76Å; M529-V531 HydrophobicContact CB-CG1 4.06Å; M529-V531 HydrophobicContact CB-CG2 4.25Å; M529-V531 HydrophobicContact CE-CG1 4.46Å; M529-V531 PolarHBondContact O-N 3.48Å
530	D	92	Very high	95.7	Very high	124 Å²	124	34.8 Å²	34.8	66%	0.663	19%	0.191	S	C	*	.	S	Bend	trans	-74.7	71.5	171.5	-168.3	18.6	0	0	0	110.5
531	V	94.2	Very high	95.7	Very high	22 Å²	22	33 Å²	33	13%	0.133	18%	0.18	C	C	.	.			trans	-134.7	148.6	177.5	-56.5	0	0	0	0	109.7	V492 I494 F526 M529	V492-V531 HydrophobicContact CB-CB 4.46Å; V492-V531 HydrophobicContact CB-CG1 4Å; V492-V531 HydrophobicContact CG1-CB 4.27Å; V492-V531 HydrophobicContact CG1-CG1 3.74Å; I494-V531 HydrophobicContact CD1-CB 4.17Å; I494-V531 HydrophobicContact CD1-CG1 4.37Å; I494-V531 HydrophobicContact CD1-CG2 3.87Å; I494-V531 HydrophobicContact CG1-CB 4.41Å; I494-V531 HydrophobicContact CG1-CG2 4.47Å; F526-V531 HydrophobicContact CB-CG2 4.07Å; M529-V531 HydrophobicContact CB-CG1 4.06Å; M529-V531 HydrophobicContact CB-CG2 4.25Å; M529-V531 HydrophobicContact CE-CG1 4.46Å; M529-V531 PolarHBondContact O-N 3.48Å
532	L	92.9	Very high	95.7	Very high	29 Å²	29	33 Å²	33	15%	0.152	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	120.4	178.7	-57.6	171.5	0	0	0	109.7	L491 V492 V493 I494 Y566	L491-L532 HydrophobicContact CD1-CD1 3.38Å; L491-L532 HydrophobicContact CD1-CG 4.27Å; L491-L532 HydrophobicContact CD2-CD1 4.19Å; L491-L532 HydrophobicContact CG-CD1 3.92Å; V492-L532 PolarHBondContact O-N 2.85Å; V493-L532 CarbonylContact C-O 3.43Å; V493-L532 WeakPolarHBondContact CA-O 3.33Å; V493-L532 HydrophobicContact CG1-CB 4.41Å; V493-L532 HydrophobicContact CG2-CB 4.19Å; V493-L532 HydrophobicContact CG2-CD1 3.97Å; I494-L532 PolarHBondContact N-O 2.72Å; L532-Y566 HydrophobicContact CB-CD2 4.39Å; L532-Y566 HydrophobicContact CB-CE2 4.35Å; L532-Y566 HydrophobicContact CD1-CD1 3.69Å; L532-Y566 HydrophobicContact CD1-CD2 3.63Å; L532-Y566 HydrophobicContact CD1-CE1 4.36Å; L532-Y566 HydrophobicContact CD1-CE2 4.25Å; L532-Y566 HydrophobicContact CD1-CG 3.3Å; L532-Y566 HydrophobicContact CD2-CD1 3.63Å; L532-Y566 HydrophobicContact CD2-CD2 4.28Å; L532-Y566 HydrophobicContact CD2-CE1 3.51Å; L532-Y566 HydrophobicContact CD2-CE2 4.13Å; L532-Y566 HydrophobicContact CD2-CG 4.04Å; L532-Y566 HydrophobicContact CG-CD1 4.28Å; L532-Y566 HydrophobicContact CG-CD2 4.33Å; L532-Y566 HydrophobicContact CG-CE1 4.5Å; L532-Y566 HydrophobicContact CG-CE2 4.49Å; L532-Y566 HydrophobicContact CG-CG 4.21Å
533	M	94.1	Very high	95.7	Very high	57 Å²	57	33 Å²	33	28%	0.281	18%	0.18	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	116.4	176.3	-169.7	64.1	62	0	0	110.2	I494 K523	I494-M533 HydrophobicContact CB-CE 3.98Å; I494-M533 HydrophobicContact CB-SD 4.05Å; I494-M533 HydrophobicContact CD1-CE 4.49Å; I494-M533 HydrophobicContact CG2-CE 3.85Å; I494-M533 HydrophobicContact CG2-SD 3.86Å; I494-M533 WeakPolarHBondContact O-CA 3.42Å; K523-M533 HydrophobicContact CG-CE 4.28Å; K523-M533 HydrophobicContact CG-SD 4.4Å
534	V	96.6	Very high	95.7	Very high	2 Å²	2	35 Å²	35	1%	0.012	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	102.4	165.4	178.6	0	0	0	0	107.3	W380 V493 I494 S496 A536 M539 M559 M562	W380-V534 HydrophobicContact CH2-CB 4.05Å; W380-V534 HydrophobicContact CH2-CG1 4.02Å; W380-V534 HydrophobicContact CH2-CG2 4.02Å; W380-V534 HydrophobicContact CZ2-CG1 4.06Å; V493-V534 HydrophobicContact CG1-CG2 3.75Å; I494-V534 PolarHBondContact O-N 3.07Å; S496-V534 PolarHBondContact N-O 3.43Å; V534-A536 VanDerWaalsContact C-N 3.26Å; V534-A536 PolarHBondContact O-N 3.01Å; V534-M539 HydrophobicContact CG1-SD 3.99Å; V534-M559 HydrophobicContact CG1-CB 4Å; V534-M559 HydrophobicContact CG1-CG 4.03Å; V534-M562 HydrophobicContact CG2-CB 4.45Å; V534-M562 HydrophobicContact CG2-CG 4.23Å
535	D	96.2	Very high	95.7	Very high	16 Å²	16	36.3 Å²	36.3	9%	0.086	19%	0.194	C	C	.	.			trans	-76.2	74.7	-174.6	-160	-28.5	0	0	0	111.5	S335 S496 K523 W537 E538 M539	S335-D535 WeakPolarHBondContact OG-CB 3.27Å; S496-D535 PolarHBondContact OG-OD1 3.34Å; K523-D535 WeakPolarHBondContact CE-OD2 3.44Å; K523-D535 IonicContact NZ-OD1 3.61Å; K523-D535 PolarHBondContact NZ-OD1 3.43Å; K523-D535 IonicContact NZ-OD2 3.44Å; K523-D535 PolarHBondContact NZ-OD2 2.69Å; D535-W537 PolarHBondContact O-N 3.12Å; D535-W537 VanDerWaalsContact O-N 3.14Å; D535-W537 WeakPolarHBondContact OD1-CB 3.5Å; D535-W537 PolarHBondContact OD1-N 3.27Å; D535-E538 PolarHBondContact O-N 3.32Å; D535-E538 PolarHBondContact OD1-N 2.95Å; D535-M539 VanDerWaalsContact O-CG 3.25Å; D535-M539 WeakPolarHBondContact O-CG 3.23Å; D535-M539 PolarHBondContact O-N 2.91Å
536	A	97.9	Very high	95.7	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-61.1	-22.7	-178.6	0	0	0	0	0	112.5	R495 S496 A497 N498 V534 S540 M559	R495-A536 HydrophobicContact CG-CB 4.05Å; S496-A536 WeakPolarHBondContact O-CB 3.08Å; S496-A536 PolarHBondContact OG-N 3.4Å; S496-A536 VanDerWaalsContact OG-N 3.14Å; A497-A536 CarbonylContact O-C 3.59Å; N498-A536 HydrophobicContact CB-CB 4.1Å; V534-A536 VanDerWaalsContact C-N 3.26Å; V534-A536 PolarHBondContact O-N 3.01Å; A536-S540 VanDerWaalsContact O-CB 3.27Å; A536-S540 WeakPolarHBondContact O-CB 3.33Å; A536-S540 PolarHBondContact O-N 2.85Å; A536-S540 PolarHBondContact O-OG 3.02Å; A536-M559 HydrophobicContact CB-CE 3.57Å; A536-M559 HydrophobicContact CB-SD 4.06Å
537	W	98.1	Very high	95.8	Very high	16 Å²	16	42.6 Å²	42.6	6%	0.061	23%	0.232	C	C	.	.	H	α-helix	trans	-65.9	-57.3	177.1	-178.9	-90.6	0	0	0	110.3	F151 L153 S496 A497 L499 D512 L516 D535 S540 L541	F151-W537 HydrophobicContact CZ-CH2 4.05Å; F151-W537 HydrophobicContact CZ-CZ2 4.06Å; L153-W537 HydrophobicContact CD2-CZ2 3.85Å; S496-W537 PolarHBondContact OG-N 3.35Å; A497-W537 WeakPolarHBondContact O-CA 3.38Å; A497-W537 VanDerWaalsContact O-CB 3.31Å; A497-W537 WeakPolarHBondContact O-CB 3.34Å; A497-W537 PolarHBondContact O-N 3.37Å; L499-W537 HydrophobicContact CD2-CD2 4.33Å; L499-W537 HydrophobicContact CD2-CE3 4.11Å; L499-W537 HydrophobicContact CD2-CH2 3.32Å; L499-W537 HydrophobicContact CD2-CZ2 3.59Å; L499-W537 HydrophobicContact CD2-CZ3 3.6Å; L499-W537 HydrophobicContact CG-CD2 4.42Å; L499-W537 HydrophobicContact CG-CE3 4.32Å; L499-W537 HydrophobicContact CG-CH2 4.34Å; L499-W537 HydrophobicContact CG-CZ2 4.45Å; L499-W537 HydrophobicContact CG-CZ3 4.27Å; D512-W537 HydrophobicContact CB-CH2 4.12Å; D512-W537 WeakPolarHBondContact O-CH2 3.44Å; L516-W537 HydrophobicContact CB-CH2 3.6Å; L516-W537 HydrophobicContact CB-CZ2 3.87Å; L516-W537 HydrophobicContact CB-CZ3 4.22Å; L516-W537 HydrophobicContact CD1-CH2 4.31Å; L516-W537 HydrophobicContact CD1-CZ2 3.75Å; L516-W537 HydrophobicContact CG-CH2 4.47Å; L516-W537 HydrophobicContact CG-CZ2 4.25Å; D535-W537 PolarHBondContact O-N 3.12Å; D535-W537 VanDerWaalsContact O-N 3.14Å; D535-W537 WeakPolarHBondContact OD1-CB 3.5Å; D535-W537 PolarHBondContact OD1-N 3.27Å; W537-S540 PolarHBondContact O-N 3.02Å; W537-L541 WeakPolarHBondContact O-CB 3.29Å; W537-L541 PolarHBondContact O-N 3.37Å
538	E	97.5	Very high	96.1	Very high	32 Å²	32	35.5 Å²	35.5	15%	0.15	21%	0.212	C	C	.	.	H	α-helix	trans	-68.7	-37.4	-179.7	-69.7	-167	173.5	0	0	112.2	A166 P334 S335 W343 D535 S540 L541 A542	A166-E538 HydrophobicContact CB-CB 4.19Å; A166-E538 HydrophobicContact CB-CG 3.96Å; P334-E538 WeakPolarHBondContact CA-OE2 3.47Å; P334-E538 WeakPolarHBondContact CB-OE2 3.28Å; S335-E538 WeakPolarHBondContact CA-OE2 3.36Å; S335-E538 VanDerWaalsContact CB-OE2 3.31Å; S335-E538 WeakPolarHBondContact CB-OE2 3.23Å; S335-E538 PolarHBondContact N-OE2 2.89Å; S335-E538 PolarHBondContact OG-OE2 2.77Å; W343-E538 HydrophobicContact CH2-CB 4.07Å; D535-E538 PolarHBondContact O-N 3.32Å; D535-E538 PolarHBondContact OD1-N 2.95Å; E538-S540 PolarHBondContact O-N 2.89Å; E538-L541 PolarHBondContact O-N 2.98Å; E538-A542 WeakPolarHBondContact O-CB 3.34Å; E538-A542 PolarHBondContact O-N 3.18Å
539	M	98.1	Very high	96.4	Very high	1 Å²	1	33.7 Å²	33.7	1%	0.005	18%	0.181	C	C	.	.	H	α-helix	trans	-60.3	-35.4	173.8	-66.8	179.7	78	0	0	111.8	Y338 W343 V534 D535 H543 I555 N558 M559	Y338-M539 VanDerWaalsContact CE2-O 3.29Å; Y338-M539 WeakPolarHBondContact CE2-O 3.4Å; W343-M539 HydrophobicContact CB-CE 4.01Å; W343-M539 HydrophobicContact CD2-CE 4.23Å; W343-M539 HydrophobicContact CD2-CG 3.74Å; W343-M539 HydrophobicContact CD2-SD 4.48Å; W343-M539 HydrophobicContact CE3-CG 3.94Å; W343-M539 HydrophobicContact CG-CE 3.84Å; W343-M539 HydrophobicContact CG-CG 4.32Å; W343-M539 HydrophobicContact CG-SD 4.5Å; W343-M539 HydrophobicContact CH2-CG 3.93Å; W343-M539 HydrophobicContact CZ2-CG 3.73Å; W343-M539 HydrophobicContact CZ3-CG 4.03Å; V534-M539 HydrophobicContact CG1-SD 3.99Å; D535-M539 VanDerWaalsContact O-CG 3.25Å; D535-M539 WeakPolarHBondContact O-CG 3.23Å; D535-M539 PolarHBondContact O-N 2.91Å; M539-H543 WeakPolarHBondContact O-CB 3.48Å; M539-I555 HydrophobicContact CB-CG2 4.33Å; M539-N558 VanDerWaalsContact CE-C 3.48Å; M539-N558 HydrophobicContact CE-CB 3.52Å; M539-M559 HydrophobicContact CB-CE 4.47Å; M539-M559 HydrophobicContact CE-CB 4.38Å; M539-M559 HydrophobicContact CE-CG 3.78Å; M539-M559 HydrophobicContact SD-CG 3.77Å
540	S	98.1	Very high	96.6	Very high	3 Å²	3	35.7 Å²	35.7	2%	0.021	19%	0.19	C	C	.	.	H	α-helix	trans	-78.4	-36.3	177.1	-56.4	0	0	0	0	112.6	N498 A536 W537 E538	N498-S540 WeakPolarHBondContact CB-OG 3.37Å; A536-S540 VanDerWaalsContact O-CB 3.27Å; A536-S540 WeakPolarHBondContact O-CB 3.33Å; A536-S540 PolarHBondContact O-N 2.85Å; A536-S540 PolarHBondContact O-OG 3.02Å; W537-S540 PolarHBondContact O-N 3.02Å; E538-S540 PolarHBondContact O-N 2.89Å
541	L	98.3	Very high	96.8	Very high	9 Å²	9	30 Å²	30	5%	0.047	16%	0.16	C	C	.	.	H	α-helix	trans	-70.1	-41.5	179.6	179.9	52.6	0	0	0	112.5	L153 R155 A166 L499 W537 E538 H543	L153-L541 HydrophobicContact CB-CD1 4.04Å; L153-L541 HydrophobicContact CD1-CD1 4.39Å; L153-L541 HydrophobicContact CD2-CD1 4.46Å; L153-L541 HydrophobicContact CD2-CD2 4.18Å; R155-L541 VanDerWaalsContact CD-O 3.25Å; R155-L541 WeakPolarHBondContact CD-O 3.37Å; A166-L541 HydrophobicContact CB-CB 4.41Å; A166-L541 HydrophobicContact CB-CD2 3.73Å; A166-L541 HydrophobicContact CB-CG 4.1Å; L499-L541 HydrophobicContact CD1-CB 3.66Å; L499-L541 HydrophobicContact CD1-CD1 3.84Å; L499-L541 HydrophobicContact CD1-CG 4.26Å; W537-L541 WeakPolarHBondContact O-CB 3.29Å; W537-L541 PolarHBondContact O-N 3.37Å; E538-L541 PolarHBondContact O-N 2.98Å; L541-H543 VanDerWaalsContact C-N 3.32Å
542	A	97.9	Very high	97	Very high	2 Å²	2	30.9 Å²	30.9	2%	0.017	17%	0.166	C	C	.	.	H	α-helix	trans	-74.2	-22.4	-177.7	0	0	0	0	0	113	Y338 W343 E538	Y338-A542 HydrophobicContact CD2-CB 3.86Å; Y338-A542 HydrophobicContact CE2-CB 4.33Å; W343-A542 HydrophobicContact CZ3-CB 4.05Å; E538-A542 WeakPolarHBondContact O-CB 3.34Å; E538-A542 PolarHBondContact O-N 3.18Å
543	H	97.8	Very high	97.2	Very high	4 Å²	4	35.5 Å²	35.5	2%	0.019	19%	0.187	C	C	.	.	S	Bend	trans	-80.4	144.2	-177.2	-156.6	-60.3	0	0	0	112	R155 Y338 M539 L541 L545 I555	R155-H543 PolarHBondContact NH1-O 3Å; Y338-H543 HydrophobicContact CD2-CB 4.36Å; Y338-H543 AromaticContact CE1-CD2 3.7Å; Y338-H543 HydrophobicContact CE2-CB 3.95Å; Y338-H543 AromaticContact CE2-CD2 3.91Å; Y338-H543 AromaticContact CZ-CD2 3.49Å; Y338-H543 VanDerWaalsContact CZ-CD2 3.49Å; M539-H543 WeakPolarHBondContact O-CB 3.48Å; L541-H543 VanDerWaalsContact C-N 3.32Å; H543-L545 VanDerWaalsContact CE1-CD1 3.45Å; H543-L545 WeakPolarHBondContact CE1-CD1 3.45Å; H543-L545 VanDerWaalsContact CE1-CG 3.46Å; H543-L545 WeakPolarHBondContact CE1-CG 3.45Å; H543-L545 WeakPolarHBondContact ND1-CG 3.2Å; H543-L545 PolarHBondContact ND1-N 3.43Å; H543-L545 VanDerWaalsContact ND1-N 3.18Å; H543-L545 PolarHBondContact O-N 3.05Å; H543-I555 HydrophobicContact CB-CD1 3.85Å; H543-I555 HydrophobicContact CB-CG1 4.24Å
544	H	96	Very high	97.4	Very high	92 Å²	92	34.6 Å²	34.6	43%	0.426	19%	0.188	S	C	.	.	S	Bend	trans	-71.6	-8.5	178.2	72.6	84.7	0	0	0	114.9	D341	D341-H544 IonicContact OD1-CD2 2.85Å; D341-H544 IonicContact OD1-NE2 3.69Å
545	L	97.5	Very high	97.4	Very high	46 Å²	46	34.6 Å²	34.6	24%	0.241	19%	0.188	C	C	.	.	S	Bend	trans	-83	155.9	-176.6	-73.1	175	0	0	0	110.5	H543 P552 A554 I555	H543-L545 VanDerWaalsContact CE1-CD1 3.45Å; H543-L545 WeakPolarHBondContact CE1-CD1 3.45Å; H543-L545 VanDerWaalsContact CE1-CG 3.46Å; H543-L545 WeakPolarHBondContact CE1-CG 3.45Å; H543-L545 WeakPolarHBondContact ND1-CG 3.2Å; H543-L545 PolarHBondContact ND1-N 3.43Å; H543-L545 VanDerWaalsContact ND1-N 3.18Å; H543-L545 PolarHBondContact O-N 3.05Å; L545-P552 HydrophobicContact CB-CG 4.13Å; L545-P552 HydrophobicContact CD1-CB 3.72Å; L545-P552 HydrophobicContact CD1-CG 4.18Å; L545-A554 HydrophobicContact CD1-CB 3.96Å; L545-I555 HydrophobicContact CB-CD1 4.42Å; L545-I555 HydrophobicContact CD1-CG1 4.5Å
546	P	96.6	Very high	97.5	Very high	99 Å²	99	33.9 Å²	33.9	64%	0.643	19%	0.185	S	C	*	.	P	Polyproline II helix	trans	-59.8	141.1	-177.8	-24	34.2	0	0	0	113	A548	P546-A548 PolarHBondContact O-N 3.27Å
547	H	97.8	Very high	97.5	Very high	44 Å²	44	36.4 Å²	36.4	20%	0.204	20%	0.196	C	C	.	.	P	Polyproline II helix	trans	-60.3	130	170.6	-58.8	140.5	0	0	0	110.6	K297 L499 Q500 A501	K297-H547 PolarHBondContact NZ-ND1 3.04Å; K297-H547 VanDerWaalsContact NZ-ND1 3.16Å; L499-H547 HydrophobicContact CB-CB 3.96Å; L499-H547 VanDerWaalsContact CD1-NE2 3.25Å; L499-H547 WeakPolarHBondContact CD1-NE2 3.22Å; Q500-H547 CarbonylContact C-O 3.59Å; A501-H547 PolarHBondContact N-O 3.46Å
548	A	97.6	Very high	97.5	Very high	29 Å²	29	36 Å²	36	24%	0.24	20%	0.195	C	C	.	.			trans	-149.7	140.2	179	0	0	0	0	0	110.5	N498 L499 P546 H550	N498-A548 PolarHBondContact ND2-O 3.45Å; N498-A548 VanDerWaalsContact ND2-O 3.11Å; L499-A548 CarbonylContact O-C 3.41Å; L499-A548 PolarHBondContact O-N 3.32Å; L499-A548 VanDerWaalsContact O-O 3.06Å; P546-A548 PolarHBondContact O-N 3.27Å; A548-H550 WeakPolarHBondContact CB-O 3.47Å; A548-H550 CarbonylContact O-C 3.56Å; A548-H550 PolarHBondContact O-N 3.05Å; A548-H550 VanDerWaalsContact O-N 3.16Å
549	L	96.2	Very high	97.5	Very high	47 Å²	47	34.4 Å²	34.4	25%	0.246	19%	0.188	C	C	.	.	S	Bend	trans	-53.3	-40.4	178.3	175.2	63.3	0	0	0	111	T376 W458 A459 N498 Q500 P551	T376-L549 HydrophobicContact CG2-CD1 4.47Å; W458-L549 HydrophobicContact CH2-CD1 3.53Å; W458-L549 HydrophobicContact CZ2-CD1 3.93Å; W458-L549 HydrophobicContact CZ3-CD1 4.35Å; A459-L549 HydrophobicContact CB-CD1 4.31Å; N498-L549 PolarHBondContact ND2-O 3.11Å; Q500-L549 HydrophobicContact CB-CB 3.97Å; Q500-L549 VanDerWaalsContact CB-N 3.35Å; L549-P551 WeakPolarHBondContact O-CD 3.42Å
550	H	97	Very high	97.4	Very high	76 Å²	76	34.4 Å²	34.4	35%	0.352	19%	0.188	S	C	.	.	S	Bend	trans	-101.3	98.3	166.3	-71.8	-84.1	0	0	0	108.4	S375 A548	S375-H550 WeakPolarHBondContact CB-CE1 3.37Å; S375-H550 PolarHBondContact O-CE1 2.88Å; S375-H550 VanDerWaalsContact O-CE1 3.24Å; S375-H550 PolarHBondContact OG-CE1 2.93Å; S375-H550 PolarHBondContact OG-NE2 3Å; A548-H550 WeakPolarHBondContact CB-O 3.47Å; A548-H550 CarbonylContact O-C 3.56Å; A548-H550 PolarHBondContact O-N 3.05Å; A548-H550 VanDerWaalsContact O-N 3.16Å
551	P	97.5	Very high	97.4	Very high	3 Å²	3	34.3 Å²	34.3	2%	0.019	19%	0.187	C	C	.	.			trans	-58.8	151.7	-175.5	-27.1	36.4	0	0	0	112.6	Q379 N498 L549 I555 V556 M559	Q379-P551 PolarHBondContact NE2-O 2.98Å; N498-P551 HydrophobicContact CB-CG 4.44Å; L549-P551 WeakPolarHBondContact O-CD 3.42Å; P551-I555 HydrophobicContact CB-CB 4.06Å; P551-I555 HydrophobicContact CB-CD1 4.34Å; P551-I555 HydrophobicContact CB-CG2 4.4Å; P551-V556 HydrophobicContact CB-CG2 4.38Å; P551-M559 HydrophobicContact CG-CE 4.33Å
552	P	97.9	Very high	97.2	Very high	41 Å²	41	34.3 Å²	34.3	27%	0.266	19%	0.187	S	C	.	.			trans	-56.8	156.1	172.7	-27.6	37.6	0	0	0	113.2	L545 A554 I555 V556	L545-P552 HydrophobicContact CB-CG 4.13Å; L545-P552 HydrophobicContact CD1-CB 3.72Å; L545-P552 HydrophobicContact CD1-CG 4.18Å; P552-A554 VanDerWaalsContact C-N 3.27Å; P552-A554 PolarHBondContact O-N 3.4Å; P552-A554 VanDerWaalsContact O-N 3.15Å; P552-I555 PolarHBondContact O-N 2.9Å; P552-V556 PolarHBondContact O-N 3.24Å
553	Q	96.9	Very high	97.1	Very high	127 Å²	127	34.2 Å²	34.2	59%	0.593	19%	0.186	S	C	*	.	H	α-helix	trans	-55.9	-36.4	-172.7	-171.7	174.9	-0.8	0	0	113.7	Y383 I555 V556 Q557	Y383-Q553 HydrophobicContact CD2-CG 4Å; Y383-Q553 HydrophobicContact CE2-CG 3.59Å; Q553-I555 VanDerWaalsContact C-N 3.32Å; Q553-I555 PolarHBondContact O-N 3.38Å; Q553-V556 PolarHBondContact O-N 2.84Å; Q553-Q557 WeakPolarHBondContact O-CB 3.47Å; Q553-Q557 PolarHBondContact O-N 2.9Å
554	A	96.9	Very high	97.1	Very high	37 Å²	37	34 Å²	34	31%	0.306	19%	0.185	S	C	.	.	H	α-helix	trans	-62.1	-36.8	178.1	0	0	0	0	0	113.1	L545 P552 N558	L545-A554 HydrophobicContact CD1-CB 3.96Å; P552-A554 VanDerWaalsContact C-N 3.27Å; P552-A554 PolarHBondContact O-N 3.4Å; P552-A554 VanDerWaalsContact O-N 3.15Å; A554-N558 PolarHBondContact O-N 2.94Å; A554-N558 PolarHBondContact O-ND2 3.26Å
555	I	98.2	Very high	97	Very high	2 Å²	2	29.8 Å²	29.8	1%	0.01	17%	0.166	C	C	.	.	H	α-helix	trans	-73	-43.6	176.5	-44.1	-170.2	0	0	0	109.6	M539 H543 L545 P551 P552 Q553 Q557 N558 M559	M539-I555 HydrophobicContact CB-CG2 4.33Å; H543-I555 HydrophobicContact CB-CD1 3.85Å; H543-I555 HydrophobicContact CB-CG1 4.24Å; L545-I555 HydrophobicContact CB-CD1 4.42Å; L545-I555 HydrophobicContact CD1-CG1 4.5Å; P551-I555 HydrophobicContact CB-CB 4.06Å; P551-I555 HydrophobicContact CB-CD1 4.34Å; P551-I555 HydrophobicContact CB-CG2 4.4Å; P552-I555 PolarHBondContact O-N 2.9Å; Q553-I555 VanDerWaalsContact C-N 3.32Å; Q553-I555 PolarHBondContact O-N 3.38Å; I555-Q557 VanDerWaalsContact C-N 3.31Å; I555-Q557 PolarHBondContact O-N 3.41Å; I555-N558 PolarHBondContact O-N 3.23Å; I555-M559 HydrophobicContact CG2-CE 3.62Å; I555-M559 WeakPolarHBondContact O-CG 3.26Å; I555-M559 PolarHBondContact O-N 3.32Å
556	V	98.1	Very high	96.7	Very high	2 Å²	2	30.4 Å²	30.4	1%	0.012	17%	0.166	C	C	.	.	H	α-helix	trans	-59.4	-42.6	176.4	178.2	0	0	0	0	111.3	Q379 Y383 P551 P552 Q553 N558 M559 I560	Q379-V556 VanDerWaalsContact CD-CG2 3.44Å; Q379-V556 HydrophobicContact CG-CG2 4.17Å; Y383-V556 HydrophobicContact CD2-CG1 3.91Å; Y383-V556 HydrophobicContact CG-CG1 3.96Å; P551-V556 HydrophobicContact CB-CG2 4.38Å; P552-V556 PolarHBondContact O-N 3.24Å; Q553-V556 PolarHBondContact O-N 2.84Å; V556-N558 PolarHBondContact O-N 2.94Å; V556-M559 WeakPolarHBondContact O-CB 3.43Å; V556-M559 PolarHBondContact O-N 2.92Å; V556-M559 VanDerWaalsContact O-N 3.15Å; V556-I560 HydrophobicContact CG1-CG1 4.32Å; V556-I560 WeakPolarHBondContact O-CG1 3.48Å; V556-I560 PolarHBondContact O-N 3.4Å
557	Q	97.3	Very high	96.6	Very high	52 Å²	52	26.4 Å²	26.4	24%	0.243	14%	0.14	C	C	.	.	H	α-helix	trans	-55.7	-50.6	175.2	175.1	172.4	-17.4	0	0	111.1	N355 Y383 Q553 I555 M559 I560 D561	N355-Q557 PolarHBondContact OD1-NE2 2.61Å; Y383-Q557 HydrophobicContact CE2-CB 4.16Å; Y383-Q557 VanDerWaalsContact OH-CB 3.24Å; Y383-Q557 WeakPolarHBondContact OH-CB 3.48Å; Y383-Q557 VanDerWaalsContact OH-CG 3.22Å; Y383-Q557 WeakPolarHBondContact OH-CG 3.31Å; Q553-Q557 WeakPolarHBondContact O-CB 3.47Å; Q553-Q557 PolarHBondContact O-N 2.9Å; I555-Q557 VanDerWaalsContact C-N 3.31Å; I555-Q557 PolarHBondContact O-N 3.41Å; Q557-M559 VanDerWaalsContact C-N 3.28Å; Q557-M559 PolarHBondContact O-N 3.47Å; Q557-I560 CarbonylContact O-C 3.5Å; Q557-I560 PolarHBondContact O-N 2.91Å; Q557-I560 VanDerWaalsContact O-N 3.1Å; Q557-D561 WeakPolarHBondContact O-CB 3.48Å; Q557-D561 PolarHBondContact O-N 2.86Å
558	N	97.6	Very high	96.3	Very high	7 Å²	7	25.3 Å²	25.3	4%	0.037	14%	0.137	C	C	.	.	H	α-helix	trans	-61.3	-36.9	177.5	-82.7	-86.7	0	0	0	112.3	Y338 D341 W343 M351 M539 A554 I555 V556 D561 M562	Y338-N558 HydrophobicContact CE1-CB 4.29Å; D341-N558 PolarHBondContact O-ND2 3.22Å; D341-N558 VanDerWaalsContact O-ND2 3.15Å; W343-N558 HydrophobicContact CB-CB 4.12Å; W343-N558 WeakPolarHBondContact CB-OD1 3.38Å; W343-N558 PolarHBondContact N-OD1 3.41Å; M351-N558 HydrophobicContact CE-CB 4.1Å; M351-N558 WeakPolarHBondContact CE-O 3.36Å; M539-N558 VanDerWaalsContact CE-C 3.48Å; M539-N558 HydrophobicContact CE-CB 3.52Å; A554-N558 PolarHBondContact O-N 2.94Å; A554-N558 PolarHBondContact O-ND2 3.26Å; I555-N558 PolarHBondContact O-N 3.23Å; V556-N558 PolarHBondContact O-N 2.94Å; N558-D561 PolarHBondContact O-N 2.98Å; N558-M562 PolarHBondContact O-N 3.48Å
559	M	97.6	Very high	95.6	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-64.8	-39.8	174.5	-65.5	178.8	-167.3	0	0	112.2	W380 V534 A536 M539 P551 I555 V556 Q557 M562 L563	W380-M559 HydrophobicContact CH2-CB 4.45Å; W380-M559 HydrophobicContact CZ2-CB 3.58Å; W380-M559 HydrophobicContact CZ2-CG 4.29Å; W380-M559 HydrophobicContact CZ2-SD 4.1Å; V534-M559 HydrophobicContact CG1-CB 4Å; V534-M559 HydrophobicContact CG1-CG 4.03Å; A536-M559 HydrophobicContact CB-CE 3.57Å; A536-M559 HydrophobicContact CB-SD 4.06Å; M539-M559 HydrophobicContact CB-CE 4.47Å; M539-M559 HydrophobicContact CE-CB 4.38Å; M539-M559 HydrophobicContact CE-CG 3.78Å; M539-M559 HydrophobicContact SD-CG 3.77Å; P551-M559 HydrophobicContact CG-CE 4.33Å; I555-M559 HydrophobicContact CG2-CE 3.62Å; I555-M559 WeakPolarHBondContact O-CG 3.26Å; I555-M559 PolarHBondContact O-N 3.32Å; V556-M559 WeakPolarHBondContact O-CB 3.43Å; V556-M559 PolarHBondContact O-N 2.92Å; V556-M559 VanDerWaalsContact O-N 3.15Å; Q557-M559 VanDerWaalsContact C-N 3.28Å; Q557-M559 PolarHBondContact O-N 3.47Å; M559-M562 WeakPolarHBondContact O-CB 3.43Å; M559-M562 PolarHBondContact O-N 3.31Å; M559-L563 PolarHBondContact O-N 2.95Å
560	I	97.6	Very high	94.7	Very high	1 Å²	1	30.3 Å²	30.3	1%	0.005	17%	0.168	C	C	.	.	H	α-helix	trans	-70	-41.4	176.4	-68.6	-67	0	0	0	111.3	W380 Y383 L384 V556 Q557 M562 L563 L564	W380-I560 HydrophobicContact CB-CD1 3.68Å; W380-I560 HydrophobicContact CD2-CD1 3.7Å; W380-I560 HydrophobicContact CE3-CD1 3.91Å; W380-I560 HydrophobicContact CG-CD1 3.61Å; W380-I560 HydrophobicContact CG-CG1 4.41Å; Y383-I560 HydrophobicContact CD1-CB 4.27Å; Y383-I560 HydrophobicContact CD1-CG1 3.76Å; Y383-I560 HydrophobicContact CD1-CG2 4.22Å; Y383-I560 HydrophobicContact CE1-CB 4.17Å; Y383-I560 HydrophobicContact CE1-CG1 4.15Å; Y383-I560 HydrophobicContact CE1-CG2 4.07Å; Y383-I560 HydrophobicContact CG-CG1 4.43Å; L384-I560 HydrophobicContact CD2-CD1 4.48Å; L384-I560 HydrophobicContact CD2-CG2 3.85Å; L384-I560 HydrophobicContact CG-CD1 4.28Å; V556-I560 HydrophobicContact CG1-CG1 4.32Å; V556-I560 WeakPolarHBondContact O-CG1 3.48Å; V556-I560 PolarHBondContact O-N 3.4Å; Q557-I560 CarbonylContact O-C 3.5Å; Q557-I560 PolarHBondContact O-N 2.91Å; Q557-I560 VanDerWaalsContact O-N 3.1Å; I560-M562 PolarHBondContact O-N 2.94Å; I560-L563 HydrophobicContact CD1-CD2 4.18Å; I560-L563 WeakPolarHBondContact O-CB 3.36Å; I560-L563 PolarHBondContact O-N 3.4Å; I560-L563 VanDerWaalsContact O-N 3.14Å; I560-L564 HydrophobicContact CG2-CD1 3.75Å; I560-L564 HydrophobicContact CG2-CG 4.05Å; I560-L564 WeakPolarHBondContact O-CB 3.2Å; I560-L564 WeakPolarHBondContact O-CG 3.07Å; I560-L564 PolarHBondContact O-N 3.47Å
561	D	96.6	Very high	93.1	Very high	1 Å²	1	32.9 Å²	32.9	1%	0.005	19%	0.189	C	C	.	.	H	α-helix	trans	-57.7	-39.8	174.1	-81.6	-12.3	0	0	0	110.7	M351 R352 F354 Q557 N558 S565	M351-D561 HydrophobicContact CE-CB 3.3Å; R352-D561 WeakPolarHBondContact O-CB 3.33Å; F354-D561 WeakPolarHBondContact CA-OD1 3.29Å; F354-D561 VanDerWaalsContact CB-OD1 3.25Å; F354-D561 WeakPolarHBondContact CB-OD1 3.43Å; F354-D561 HydrophobicContact CD2-CB 4.31Å; F354-D561 WeakPolarHBondContact CD2-OD1 3.49Å; F354-D561 PolarHBondContact N-OD1 2.9Å; Q557-D561 WeakPolarHBondContact O-CB 3.48Å; Q557-D561 PolarHBondContact O-N 2.86Å; N558-D561 PolarHBondContact O-N 2.98Å; D561-S565 VanDerWaalsContact O-CB 3.28Å; D561-S565 WeakPolarHBondContact O-CB 3.42Å; D561-S565 PolarHBondContact O-N 3.38Å; D561-S565 PolarHBondContact O-OG 3.36Å
562	M	95.1	Very high	90.7	Very high	8 Å²	8	42 Å²	42	4%	0.039	23%	0.228	C	C	.	.	H	α-helix	trans	-64	-49.4	173.3	-165.3	71.6	-164.5	0	0	111.5	P345 T349 M351 V534 N558 M559 I560 L564 S565 Y566	P345-M562 HydrophobicContact CB-CE 3.79Å; P345-M562 HydrophobicContact CB-SD 4.17Å; P345-M562 HydrophobicContact CG-CE 3.85Å; P345-M562 HydrophobicContact CG-SD 3.98Å; T349-M562 HydrophobicContact CG2-CE 3.9Å; M351-M562 HydrophobicContact CG-SD 4.38Å; M351-M562 HydrophobicContact SD-SD 4.01Å; V534-M562 HydrophobicContact CG2-CB 4.45Å; V534-M562 HydrophobicContact CG2-CG 4.23Å; N558-M562 PolarHBondContact O-N 3.48Å; M559-M562 WeakPolarHBondContact O-CB 3.43Å; M559-M562 PolarHBondContact O-N 3.31Å; I560-M562 PolarHBondContact O-N 2.94Å; M562-L564 PolarHBondContact O-N 3.4Å; M562-S565 PolarHBondContact O-N 2.98Å; M562-Y566 HydrophobicContact CE-CD2 4.3Å; M562-Y566 HydrophobicContact CE-CE2 3.23Å; M562-Y566 VanDerWaalsContact CE-CZ 3.44Å; M562-Y566 WeakPolarHBondContact CE-OH 3.42Å; M562-Y566 HydrophobicContact CG-CD2 4.49Å; M562-Y566 HydrophobicContact CG-CE2 4.02Å; M562-Y566 WeakPolarHBondContact O-CD2 3.36Å; M562-Y566 PolarHBondContact O-N 2.91Å; M562-Y566 HydrophobicContact SD-CE2 4.33Å
563	L	95.8	Very high	87.8	Confident	0 Å²	0	44.6 Å²	44.6	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-53.1	-53.5	175	167.1	65.1	0	0	0	111.2	W380 V452 V454 V493 M559 I560 S565 Y566 V567	W380-L563 HydrophobicContact CE3-CD2 3.87Å; W380-L563 HydrophobicContact CZ3-CB 4.19Å; W380-L563 HydrophobicContact CZ3-CD2 3.91Å; W380-L563 HydrophobicContact CZ3-CG 4.47Å; V452-L563 HydrophobicContact CG1-CD1 4.24Å; V454-L563 HydrophobicContact CG2-CD1 4.2Å; V454-L563 HydrophobicContact CG2-CD2 4.44Å; V493-L563 HydrophobicContact CB-CD1 4.24Å; V493-L563 HydrophobicContact CG1-CD1 4.29Å; V493-L563 HydrophobicContact CG2-CD1 3.63Å; M559-L563 PolarHBondContact O-N 2.95Å; I560-L563 HydrophobicContact CD1-CD2 4.18Å; I560-L563 WeakPolarHBondContact O-CB 3.36Å; I560-L563 PolarHBondContact O-N 3.4Å; I560-L563 VanDerWaalsContact O-N 3.14Å; L563-S565 VanDerWaalsContact C-N 3.32Å; L563-S565 PolarHBondContact O-N 2.93Å; L563-Y566 PolarHBondContact O-N 3.38Å; L563-Y566 VanDerWaalsContact O-N 3.15Å; L563-V567 HydrophobicContact CD1-CG2 4.08Å; L563-V567 HydrophobicContact CG-CG2 4.39Å; L563-V567 WeakPolarHBondContact O-CG2 3.44Å; L563-V567 PolarHBondContact O-N 3.02Å
564	L	96.4	Very high	84.9	Confident	0 Å²	0	49.8 Å²	49.8	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-68.7	-31.5	-175.2	-65	179	0	0	0	112.1	F354 I360 L364 I560 M562 Y566 V567 C568	F354-L564 HydrophobicContact CB-CD1 3.83Å; F354-L564 HydrophobicContact CD1-CB 3.94Å; F354-L564 HydrophobicContact CD1-CD1 3.66Å; F354-L564 HydrophobicContact CD1-CG 4.45Å; F354-L564 HydrophobicContact CD2-CB 3.75Å; F354-L564 HydrophobicContact CD2-CD1 4.11Å; F354-L564 HydrophobicContact CE1-CB 3.61Å; F354-L564 HydrophobicContact CE1-CD1 4.15Å; F354-L564 HydrophobicContact CE1-CG 4.48Å; F354-L564 HydrophobicContact CE2-CB 3.42Å; F354-L564 VanDerWaalsContact CE2-CB 3.42Å; F354-L564 HydrophobicContact CG-CB 3.99Å; F354-L564 HydrophobicContact CG-CD1 3.62Å; F354-L564 HydrophobicContact CG-CG 4.48Å; F354-L564 VanDerWaalsContact CZ-C 3.48Å; F354-L564 HydrophobicContact CZ-CB 3.34Å; I360-L564 HydrophobicContact CG1-CD1 3.95Å; I360-L564 HydrophobicContact CG2-CD1 4.01Å; L364-L564 HydrophobicContact CD1-CD2 4.45Å; L364-L564 HydrophobicContact CD2-CD2 3.54Å; L364-L564 HydrophobicContact CG-CD2 4.06Å; I560-L564 HydrophobicContact CG2-CD1 3.75Å; I560-L564 HydrophobicContact CG2-CG 4.05Å; I560-L564 WeakPolarHBondContact O-CB 3.2Å; I560-L564 WeakPolarHBondContact O-CG 3.07Å; I560-L564 PolarHBondContact O-N 3.47Å; M562-L564 PolarHBondContact O-N 3.4Å; L564-Y566 PolarHBondContact O-N 2.98Å; L564-V567 PolarHBondContact O-N 3.42Å; L564-V567 VanDerWaalsContact O-N 3.17Å; L564-C568 PolarHBondContact O-N 3.48Å; L564-C568 PolarHBondContact O-SG 3.45Å
565	S	94.3	Very high	81.9	Confident	4 Å²	4	54.3 Å²	54.3	3%	0.028	29%	0.285	C	S	.	.	H	α-helix	trans	-59.9	-29.7	173.4	-62.8	0	0	0	0	112.7	R352 D561 M562 L563 P569	R352-S565 PolarHBondContact N-OG 2.8Å; D561-S565 VanDerWaalsContact O-CB 3.28Å; D561-S565 WeakPolarHBondContact O-CB 3.42Å; D561-S565 PolarHBondContact O-N 3.38Å; D561-S565 PolarHBondContact O-OG 3.36Å; M562-S565 PolarHBondContact O-N 2.98Å; L563-S565 VanDerWaalsContact C-N 3.32Å; L563-S565 PolarHBondContact O-N 2.93Å; S565-P569 WeakPolarHBondContact O-CA 3.38Å
566	Y	91.4	Very high	78.8	Confident	58 Å²	58	67.2 Å²	67.2	23%	0.227	34%	0.341	C	S	.	.	H	α-helix	trans	-85.7	-34.6	172.5	-70.6	-68.7	0	0	0	113.9	T349 L532 M562 L563 L564 C568	T349-Y566 HydrophobicContact CG2-CD1 4.26Å; T349-Y566 HydrophobicContact CG2-CE1 3.6Å; T349-Y566 HydrophobicContact CG2-CE2 4.34Å; T349-Y566 WeakPolarHBondContact OG1-CE1 3.45Å; T349-Y566 PolarHBondContact OG1-OH 3.24Å; L532-Y566 HydrophobicContact CB-CD2 4.39Å; L532-Y566 HydrophobicContact CB-CE2 4.35Å; L532-Y566 HydrophobicContact CD1-CD1 3.69Å; L532-Y566 HydrophobicContact CD1-CD2 3.63Å; L532-Y566 HydrophobicContact CD1-CE1 4.36Å; L532-Y566 HydrophobicContact CD1-CE2 4.25Å; L532-Y566 HydrophobicContact CD1-CG 3.3Å; L532-Y566 HydrophobicContact CD2-CD1 3.63Å; L532-Y566 HydrophobicContact CD2-CD2 4.28Å; L532-Y566 HydrophobicContact CD2-CE1 3.51Å; L532-Y566 HydrophobicContact CD2-CE2 4.13Å; L532-Y566 HydrophobicContact CD2-CG 4.04Å; L532-Y566 HydrophobicContact CG-CD1 4.28Å; L532-Y566 HydrophobicContact CG-CD2 4.33Å; L532-Y566 HydrophobicContact CG-CE1 4.5Å; L532-Y566 HydrophobicContact CG-CE2 4.49Å; L532-Y566 HydrophobicContact CG-CG 4.21Å; M562-Y566 HydrophobicContact CE-CD2 4.3Å; M562-Y566 HydrophobicContact CE-CE2 3.23Å; M562-Y566 VanDerWaalsContact CE-CZ 3.44Å; M562-Y566 WeakPolarHBondContact CE-OH 3.42Å; M562-Y566 HydrophobicContact CG-CD2 4.49Å; M562-Y566 HydrophobicContact CG-CE2 4.02Å; M562-Y566 WeakPolarHBondContact O-CD2 3.36Å; M562-Y566 PolarHBondContact O-N 2.91Å; M562-Y566 HydrophobicContact SD-CE2 4.33Å; L563-Y566 PolarHBondContact O-N 3.38Å; L563-Y566 VanDerWaalsContact O-N 3.15Å; L564-Y566 PolarHBondContact O-N 2.98Å; Y566-C568 VanDerWaalsContact C-N 3.29Å; Y566-C568 PolarHBondContact O-N 3.03Å
567	V	94	Very high	77.9	Confident	16 Å²	16	70.5 Å²	70.5	10%	0.097	36%	0.358	C	S	.	.	H	α-helix	trans	-64.8	-36.5	176.8	175.5	0	0	0	0	111.1	L364 K367 V452 L491 L563 L564	L364-V567 HydrophobicContact CD2-CG1 4.13Å; K367-V567 HydrophobicContact CD-CG1 4.41Å; K367-V567 HydrophobicContact CG-CG1 4.21Å; V452-V567 HydrophobicContact CG1-CG2 4.3Å; V452-V567 HydrophobicContact CG2-CG1 4.43Å; V452-V567 HydrophobicContact CG2-CG2 3.99Å; L491-V567 HydrophobicContact CD2-CB 4.4Å; L491-V567 HydrophobicContact CD2-CG2 3.67Å; L563-V567 HydrophobicContact CD1-CG2 4.08Å; L563-V567 HydrophobicContact CG-CG2 4.39Å; L563-V567 WeakPolarHBondContact O-CG2 3.44Å; L563-V567 PolarHBondContact O-N 3.02Å; L564-V567 PolarHBondContact O-N 3.42Å; L564-V567 VanDerWaalsContact O-N 3.17Å
568	C	91.6	Very high	76.9	Confident	21 Å²	21	71.5 Å²	71.5	14%	0.142	36%	0.364	C	S	.	.	S	Bend	trans	-133.5	76	178.6	57.2	0	0	0	0	111.8	R352 F354 C363 L564 Y566	R352-C568 PolarHBondContact NH1-O 3.42Å; F354-C568 VanDerWaalsContact CE1-SG 3.54Å; F354-C568 VanDerWaalsContact CZ-SG 3.58Å; C363-C568 HydrophobicContact CB-CB 3.89Å; C363-C568 WeakPolarHBondContact CB-SG 3.41Å; C363-C568 WeakPolarHBondContact SG-CB 3.33Å; C363-C568 CovalentContact SG-SG 2.03Å; C363-C568 PolarHBondContact SG-SG 3.03Å; L564-C568 PolarHBondContact O-N 3.48Å; L564-C568 PolarHBondContact O-SG 3.45Å; Y566-C568 VanDerWaalsContact C-N 3.29Å; Y566-C568 PolarHBondContact O-N 3.03Å
569	P	83.7	Confident	75.7	Confident	90 Å²	90	75.1 Å²	75.1	58%	0.584	38%	0.382	S	S	*	.			trans	-65.4	152.8	-177.4	28.7	-34.8	0	0	0	111.7	S565 T571	S565-P569 WeakPolarHBondContact O-CA 3.38Å; P569-T571 PolarHBondContact O-N 3.07Å
570	V	77.2	Confident	74.4	Confident	91 Å²	91	79.5 Å²	79.5	55%	0.552	41%	0.405	S	S	*	.			trans	-66.4	116.9	171	-175.7	0	0	0	0	107.8	R352 K572	R352-V570 HydrophobicContact CG-CG2 4.1Å; V570-K572 PolarHBondContact O-N 3.38Å
571	T	63	Low	73	Confident	130 Å²	130	84.4 Å²	84.4	80%	0.798	43%	0.43	S	S	*	.			trans	-61.2	105.9	173	44.1	0	0	0	0	108.6	P569 S573	P569-T571 PolarHBondContact O-N 3.07Å; T571-S573 PolarHBondContact O-N 2.97Å
572	K	47.3	Very low	71.4	Confident	193 Å²	193	89.9 Å²	89.9	84%	0.839	46%	0.458	S	S	*	.			trans	-62.1	111.2	162	-75.6	-173.5	177.9	-178.8	0	105.9	V570 R574	V570-K572 PolarHBondContact O-N 3.38Å; K572-R574 PolarHBondContact O-N 3.48Å
573	S	36.7	Very low	69.7	Low	96 Å²	96	95.8 Å²	95.8	67%	0.671	49%	0.488	S	S	*	.			trans	-55.2	109.6	167.7	115.4	0	0	0	0	105.7	T571 T575	T571-S573 PolarHBondContact O-N 2.97Å; S573-T575 PolarHBondContact O-N 3.4Å
574	R	36.3	Very low	67.7	Low	237 Å²	237	103.2 Å²	103.2	89%	0.894	53%	0.525	S	S	*	.			trans	-68.1	93.7	161.8	-75.4	-176.4	177.5	178.4	-0.5	104.3	K572 K576	K572-R574 PolarHBondContact O-N 3.48Å; R574-K576 VanDerWaalsContact C-N 3.31Å; R574-K576 PolarHBondContact O-N 2.83Å
575	T	33.5	Very low	65.3	Low	131 Å²	131	111.8 Å²	111.8	80%	0.804	57%	0.569	S	S	*	*			trans	-55.3	106	158.1	24.6	0	0	0	0	105.5	S573	S573-T575 PolarHBondContact O-N 3.4Å
576	K	34.8	Very low	62.7	Low	274 Å²	274	121.5 Å²	121.5	100%	1.191	62%	0.618	S	S	*	*			trans	-67.9	0	172.4	-85.5	-173.3	175.5	-178.4	0	110	R574	R574-K576 VanDerWaalsContact C-N 3.31Å; R574-K576 PolarHBondContact O-N 2.83Å

Retrieved 576 of 576 residues in 1042.2 ms (Link to these results)

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