A0ACM8QMD1_SCHMA Loading...

Fucosyltransferase AlphaSync

AlphaFold DB (E2EAI6), UniProt , Accession A0ACM8QMD1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 463 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters PDB PAE Table

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	35.1	Very low	47.7	Very low	226 Å²	226	162.4 Å²	162.4	100%	1.113	73%	0.73	S	S	*	*				0	147.6	0	-131.3	174.4	-172.1	0	0	108
2	F	41.2	Very low	48.3	Very low	190 Å²	190	163.3 Å²	163.3	83%	0.833	72%	0.724	S	S	*	*			trans	86.4	76	-177.8	-54.1	-79.2	0	0	0	116.7
3	Y	40.1	Very low	48.7	Very low	229 Å²	229	165.9 Å²	165.9	90%	0.898	73%	0.726	S	S	*	*			trans	-73.7	143.2	146.3	-93.6	-89.5	0	0	0	109.4	R5	Y3-R5 PolarHBondContact O-N 3.49Å
4	P	46.6	Very low	49.7	Very low	83 Å²	83	158.5 Å²	158.5	54%	0.539	71%	0.705	S	S	.	*			trans	-79.1	128.2	-156.1	31.1	-35	0	0	0	112.2	T6 Y7	P4-T6 PolarHBondContact O-N 3.48Å; P4-Y7 PolarHBondContact O-N 2.87Å
5	R	48.5	Very low	50.6	Low	213 Å²	213	155.3 Å²	155.3	80%	0.804	70%	0.696	S	S	*	*	T	Hydrogen-bonded Turn	trans	-54.3	-5.7	174.8	-87.5	178.1	169.9	179.3	-2.4	115	Y3	Y3-R5 PolarHBondContact O-N 3.49Å
6	T	50.8	Low	51.8	Low	102 Å²	102	155.3 Å²	155.3	63%	0.626	70%	0.695	S	S	*	*	H	α-helix	trans	-74.6	-32.8	-177.6	49.8	0	0	0	0	113.2	P4 R10	P4-T6 PolarHBondContact O-N 3.48Å; T6-R10 PolarHBondContact O-N 3.46Å
7	Y	50.7	Low	52.9	Low	177 Å²	177	155.7 Å²	155.7	69%	0.694	70%	0.696	S	S	*	*	H	α-helix	trans	-74.1	-38.6	-177.1	-159.6	-98	0	0	0	112.7	P4 N9 R10 K11	P4-Y7 PolarHBondContact O-N 2.87Å; Y7-N9 VanDerWaalsContact C-N 3.35Å; Y7-N9 PolarHBondContact O-N 3.35Å; Y7-R10 PolarHBondContact O-N 2.96Å; Y7-K11 PolarHBondContact O-N 3.49Å; Y7-K11 VanDerWaalsContact O-N 3.13Å
8	I	54.6	Low	54.1	Low	108 Å²	108	152.3 Å²	152.3	55%	0.554	68%	0.684	S	S	*	*	H	α-helix	trans	-66.7	-37	178.5	-62.2	174.4	0	0	0	111.1	K11 R12	I8-K11 PolarHBondContact O-N 3.39Å; I8-R12 PolarHBondContact O-N 3.31Å
9	N	51.5	Low	55.3	Low	101 Å²	101	148.2 Å²	148.2	54%	0.54	67%	0.672	S	S	.	*	H	α-helix	trans	-70	-34.8	177.6	-84.1	-18.2	0	0	0	113	Y7 R13	Y7-N9 VanDerWaalsContact C-N 3.35Å; Y7-N9 PolarHBondContact O-N 3.35Å; N9-R13 WeakPolarHBondContact O-CB 3.44Å; N9-R13 PolarHBondContact O-N 2.9Å
10	R	53	Low	56.5	Low	210 Å²	210	148.2 Å²	148.2	79%	0.792	67%	0.671	S	S	*	*	H	α-helix	trans	-65.1	-43	172	-108.5	-177.4	178.2	166.9	-0.3	111.6	T6 Y7 R13 S14	T6-R10 PolarHBondContact O-N 3.46Å; Y7-R10 PolarHBondContact O-N 2.96Å; R10-R13 PolarHBondContact O-N 3.41Å; R10-S14 WeakPolarHBondContact O-CB 3.42Å; R10-S14 PolarHBondContact O-N 2.99Å
11	K	52.3	Low	57.5	Low	147 Å²	147	143.9 Å²	143.9	64%	0.639	66%	0.661	S	S	*	*	H	α-helix	trans	-65.1	-42.3	177.7	-145	176.1	-173.9	-179.4	0	111.7	Y7 I8 S14 L15	Y7-K11 PolarHBondContact O-N 3.49Å; Y7-K11 VanDerWaalsContact O-N 3.13Å; I8-K11 PolarHBondContact O-N 3.39Å; K11-S14 PolarHBondContact O-N 3.4Å; K11-L15 WeakPolarHBondContact O-CB 3.29Å; K11-L15 PolarHBondContact O-N 2.94Å
12	R	54.9	Low	59.7	Low	173 Å²	173	140 Å²	140	65%	0.653	64%	0.638	S	S	*	*	H	α-helix	trans	-64.9	-41.4	173.6	-88.1	-176.3	174.1	169.2	-1.6	113.4	I8 L15 K16	I8-R12 PolarHBondContact O-N 3.31Å; R12-L15 PolarHBondContact O-N 3.13Å; R12-K16 WeakPolarHBondContact O-CG 3.48Å; R12-K16 PolarHBondContact O-N 2.91Å
13	R	54.3	Low	61.7	Low	198 Å²	198	135.4 Å²	135.4	75%	0.747	62%	0.622	S	S	*	*	H	α-helix	trans	-65	-39.7	174.9	-98.2	-177.2	172	172.3	-2.1	111.9	N9 R10 K16 K17	N9-R13 WeakPolarHBondContact O-CB 3.44Å; N9-R13 PolarHBondContact O-N 2.9Å; R10-R13 PolarHBondContact O-N 3.41Å; R13-K16 PolarHBondContact O-N 3.13Å; R13-K17 WeakPolarHBondContact O-CG 3.39Å; R13-K17 PolarHBondContact O-N 3.01Å; R13-K17 VanDerWaalsContact O-N 3.12Å
14	S	61.9	Low	63.8	Low	62 Å²	62	128.8 Å²	128.8	43%	0.434	60%	0.601	S	S	.	*	H	α-helix	trans	-64.1	-48	175.4	-172.7	0	0	0	0	111.2	R10 K11 K16 K17 I18	R10-S14 WeakPolarHBondContact O-CB 3.42Å; R10-S14 PolarHBondContact O-N 2.99Å; K11-S14 PolarHBondContact O-N 3.4Å; S14-K16 VanDerWaalsContact C-N 3.33Å; S14-K16 PolarHBondContact O-N 3.12Å; S14-K17 PolarHBondContact O-N 3.35Å; S14-K17 VanDerWaalsContact O-N 3.13Å; S14-I18 WeakPolarHBondContact O-CG1 3.38Å; S14-I18 PolarHBondContact O-N 2.92Å
15	L	63.8	Low	65.5	Low	110 Å²	110	131.5 Å²	131.5	58%	0.576	61%	0.605	S	S	*	*	H	α-helix	trans	-58.1	-44.4	176.7	-122.3	77.7	0	0	0	111.8	K11 R12 K17 I18 T19	K11-L15 WeakPolarHBondContact O-CB 3.29Å; K11-L15 PolarHBondContact O-N 2.94Å; R12-L15 PolarHBondContact O-N 3.13Å; L15-K17 VanDerWaalsContact C-N 3.34Å; L15-K17 PolarHBondContact O-N 3.5Å; L15-I18 PolarHBondContact O-N 2.88Å; L15-T19 PolarHBondContact O-N 2.94Å; L15-T19 PolarHBondContact O-OG1 3.49Å
16	K	69.2	Low	67.1	Low	156 Å²	156	125.9 Å²	125.9	68%	0.678	59%	0.59	S	S	*	*	H	α-helix	trans	-60.3	-40.4	177	-77.8	-170.8	177.3	-168.6	0	112.7	R12 R13 S14 T19 F20	R12-K16 WeakPolarHBondContact O-CG 3.48Å; R12-K16 PolarHBondContact O-N 2.91Å; R13-K16 PolarHBondContact O-N 3.13Å; S14-K16 VanDerWaalsContact C-N 3.33Å; S14-K16 PolarHBondContact O-N 3.12Å; K16-T19 VanDerWaalsContact CA-OG1 3.29Å; K16-T19 WeakPolarHBondContact CA-OG1 3.28Å; K16-T19 PolarHBondContact O-OG1 2.99Å; K16-F20 WeakPolarHBondContact O-CB 3.42Å; K16-F20 PolarHBondContact O-N 3.42Å
17	K	70.9	Confident	68.7	Low	162 Å²	162	125 Å²	125	70%	0.704	58%	0.581	S	S	*	*	H	α-helix	trans	-65.7	-41.9	176	-75.4	-173.8	177	-168.2	0	111.9	R13 S14 L15 F20 A21	R13-K17 WeakPolarHBondContact O-CG 3.39Å; R13-K17 PolarHBondContact O-N 3.01Å; R13-K17 VanDerWaalsContact O-N 3.12Å; S14-K17 PolarHBondContact O-N 3.35Å; S14-K17 VanDerWaalsContact O-N 3.13Å; L15-K17 VanDerWaalsContact C-N 3.34Å; L15-K17 PolarHBondContact O-N 3.5Å; K17-F20 PolarHBondContact O-N 3.36Å; K17-A21 WeakPolarHBondContact O-CB 3.48Å; K17-A21 PolarHBondContact O-N 2.99Å
18	I	74.2	Confident	70.1	Confident	95 Å²	95	120.3 Å²	120.3	49%	0.487	57%	0.567	S	S	.	*	H	α-helix	trans	-64.9	-45.1	178	-65.2	166.7	0	0	0	110.5	S14 L15 F20 A21 F22	S14-I18 WeakPolarHBondContact O-CG1 3.38Å; S14-I18 PolarHBondContact O-N 2.92Å; L15-I18 PolarHBondContact O-N 2.88Å; I18-F20 VanDerWaalsContact C-N 3.34Å; I18-F20 PolarHBondContact O-N 2.99Å; I18-A21 PolarHBondContact O-N 2.98Å; I18-F22 PolarHBondContact O-N 3.23Å
19	T	76.6	Confident	71.2	Confident	74 Å²	74	120.8 Å²	120.8	45%	0.454	57%	0.565	S	S	.	*	H	α-helix	trans	-62.6	-39.4	176	40	0	0	0	0	112.4	L15 K16 F22 I23	L15-T19 PolarHBondContact O-N 2.94Å; L15-T19 PolarHBondContact O-OG1 3.49Å; K16-T19 VanDerWaalsContact CA-OG1 3.29Å; K16-T19 WeakPolarHBondContact CA-OG1 3.28Å; K16-T19 PolarHBondContact O-OG1 2.99Å; T19-F22 PolarHBondContact O-N 2.94Å; T19-I23 VanDerWaalsContact O-CG1 3.28Å; T19-I23 WeakPolarHBondContact O-CG1 3.48Å; T19-I23 PolarHBondContact O-N 3.4Å
20	F	79.3	Confident	72.5	Confident	148 Å²	148	121.4 Å²	121.4	65%	0.649	57%	0.568	S	S	*	*	H	α-helix	trans	-66.9	-41.3	178.3	-163.9	-93.2	0	0	0	111.8	K16 K17 I18 F22 I23 L24	K16-F20 WeakPolarHBondContact O-CB 3.42Å; K16-F20 PolarHBondContact O-N 3.42Å; K17-F20 PolarHBondContact O-N 3.36Å; I18-F20 VanDerWaalsContact C-N 3.34Å; I18-F20 PolarHBondContact O-N 2.99Å; F20-F22 VanDerWaalsContact C-N 3.35Å; F20-F22 PolarHBondContact O-N 3.35Å; F20-I23 PolarHBondContact O-N 3.36Å; F20-L24 WeakPolarHBondContact O-CB 3.38Å; F20-L24 PolarHBondContact O-N 3.44Å
21	A	78	Confident	73.6	Confident	57 Å²	57	116.3 Å²	116.3	47%	0.471	56%	0.556	S	S	.	*	H	α-helix	trans	-62.7	-40.3	174.7	0	0	0	0	0	112.1	K17 I18 L24 F25	K17-A21 WeakPolarHBondContact O-CB 3.48Å; K17-A21 PolarHBondContact O-N 2.99Å; I18-A21 PolarHBondContact O-N 2.98Å; A21-L24 PolarHBondContact O-N 2.93Å; A21-F25 WeakPolarHBondContact O-CB 3.33Å; A21-F25 PolarHBondContact O-N 3.37Å
22	F	80.4	Confident	74.5	Confident	144 Å²	144	113.4 Å²	113.4	63%	0.632	55%	0.546	S	S	*	.	H	α-helix	trans	-65.4	-42.8	176.7	-117	-87.4	0	0	0	112.7	I18 T19 F20 F25 L26	I18-F22 PolarHBondContact O-N 3.23Å; T19-F22 PolarHBondContact O-N 2.94Å; F20-F22 VanDerWaalsContact C-N 3.35Å; F20-F22 PolarHBondContact O-N 3.35Å; F22-F25 PolarHBondContact O-N 3.45Å; F22-L26 PolarHBondContact O-N 2.95Å
23	I	83.9	Confident	75	Confident	95 Å²	95	108.1 Å²	108.1	49%	0.487	53%	0.531	S	S	.	.	H	α-helix	trans	-64.8	-43.9	176.7	-68.2	165.9	0	0	0	110.4	T19 F20 F25 L26 I27	T19-I23 VanDerWaalsContact O-CG1 3.28Å; T19-I23 WeakPolarHBondContact O-CG1 3.48Å; T19-I23 PolarHBondContact O-N 3.4Å; F20-I23 PolarHBondContact O-N 3.36Å; I23-F25 VanDerWaalsContact C-N 3.32Å; I23-F25 PolarHBondContact O-N 3.26Å; I23-L26 PolarHBondContact O-N 3.45Å; I23-I27 HydrophobicContact CG2-CD1 3.88Å; I23-I27 HydrophobicContact CG2-CG1 4.48Å; I23-I27 WeakPolarHBondContact O-CG1 3.28Å; I23-I27 PolarHBondContact O-N 3.46Å
24	L	84.3	Confident	75.5	Confident	89 Å²	89	107.6 Å²	107.6	47%	0.466	53%	0.53	S	S	.	.	H	α-helix	trans	-61.8	-41.7	176.7	-172.4	67.7	0	0	0	111.4	F20 A21 I27 I28	F20-L24 WeakPolarHBondContact O-CB 3.38Å; F20-L24 PolarHBondContact O-N 3.44Å; A21-L24 PolarHBondContact O-N 2.93Å; L24-I27 PolarHBondContact O-N 3.28Å; L24-I28 HydrophobicContact CG-CD1 4.08Å; L24-I28 VanDerWaalsContact O-CG1 3.29Å; L24-I28 WeakPolarHBondContact O-CG1 3.22Å; L24-I28 PolarHBondContact O-N 3.44Å
25	F	82.9	Confident	75.2	Confident	141 Å²	141	107.4 Å²	107.4	62%	0.618	53%	0.528	S	S	*	.	H	α-helix	trans	-63.7	-41.2	176.2	-163.4	-92	0	0	0	111.9	A21 F22 I23 I28 F29	A21-F25 WeakPolarHBondContact O-CB 3.33Å; A21-F25 PolarHBondContact O-N 3.37Å; F22-F25 PolarHBondContact O-N 3.45Å; I23-F25 VanDerWaalsContact C-N 3.32Å; I23-F25 PolarHBondContact O-N 3.26Å; F25-I28 PolarHBondContact O-N 3.37Å; F25-F29 VanDerWaalsContact O-CB 3.26Å; F25-F29 WeakPolarHBondContact O-CB 3.29Å; F25-F29 PolarHBondContact O-N 2.93Å
26	L	81.8	Confident	74.5	Confident	95 Å²	95	108.2 Å²	108.2	50%	0.497	53%	0.528	S	S	.	.	H	α-helix	trans	-63.3	-41.7	174.3	-84.6	159.2	0	0	0	112.3	F22 I23 F29 L30	F22-L26 PolarHBondContact O-N 2.95Å; I23-L26 PolarHBondContact O-N 3.45Å; L26-F29 PolarHBondContact O-N 2.85Å; L26-L30 WeakPolarHBondContact O-CB 3.37Å; L26-L30 VanDerWaalsContact O-CG 3.28Å; L26-L30 WeakPolarHBondContact O-CG 3.14Å; L26-L30 PolarHBondContact O-N 3.42Å
27	I	83.4	Confident	73.3	Confident	83 Å²	83	108.7 Å²	108.7	43%	0.426	53%	0.529	S	S	.	.	H	α-helix	trans	-63.9	-46.4	176.3	-68.6	167.3	0	0	0	110.3	I23 L24 F29 L30 I31	I23-I27 HydrophobicContact CG2-CD1 3.88Å; I23-I27 HydrophobicContact CG2-CG1 4.48Å; I23-I27 WeakPolarHBondContact O-CG1 3.28Å; I23-I27 PolarHBondContact O-N 3.46Å; L24-I27 PolarHBondContact O-N 3.28Å; I27-F29 VanDerWaalsContact C-N 3.33Å; I27-F29 PolarHBondContact O-N 3.32Å; I27-L30 PolarHBondContact O-N 2.92Å; I27-I31 HydrophobicContact CG2-CD1 3.77Å; I27-I31 HydrophobicContact CG2-CG1 4.42Å; I27-I31 VanDerWaalsContact O-CG1 3.27Å; I27-I31 WeakPolarHBondContact O-CG1 3.27Å; I27-I31 PolarHBondContact O-N 2.85Å
28	I	81	Confident	71.9	Confident	79 Å²	79	104.7 Å²	104.7	41%	0.405	52%	0.522	S	S	.	.	H	α-helix	trans	-61.5	-43.8	176.4	-68.5	167.1	0	0	0	110.4	L24 F25 L30 I31 I32	L24-I28 HydrophobicContact CG-CD1 4.08Å; L24-I28 VanDerWaalsContact O-CG1 3.29Å; L24-I28 WeakPolarHBondContact O-CG1 3.22Å; L24-I28 PolarHBondContact O-N 3.44Å; F25-I28 PolarHBondContact O-N 3.37Å; I28-L30 VanDerWaalsContact C-N 3.33Å; I28-L30 PolarHBondContact O-N 2.84Å; I28-I31 PolarHBondContact O-N 2.74Å; I28-I32 HydrophobicContact CG2-CD1 3.66Å; I28-I32 HydrophobicContact CG2-CG1 4.32Å; I28-I32 WeakPolarHBondContact O-CB 3.35Å; I28-I32 VanDerWaalsContact O-CG1 3.24Å; I28-I32 WeakPolarHBondContact O-CG1 3.35Å; I28-I32 PolarHBondContact O-N 3.37Å
29	F	78.8	Confident	70.1	Confident	117 Å²	117	107.6 Å²	107.6	51%	0.513	53%	0.531	S	S	.	.	H	α-helix	trans	-64.8	-36.6	178.5	-166.3	-99.1	0	0	0	112.4	F25 L26 I27 N33	F25-F29 VanDerWaalsContact O-CB 3.26Å; F25-F29 WeakPolarHBondContact O-CB 3.29Å; F25-F29 PolarHBondContact O-N 2.93Å; L26-F29 PolarHBondContact O-N 2.85Å; I27-F29 VanDerWaalsContact C-N 3.33Å; I27-F29 PolarHBondContact O-N 3.32Å; F29-N33 WeakPolarHBondContact CD1-ND2 3.26Å; F29-N33 WeakPolarHBondContact CE1-ND2 3.35Å; F29-N33 WeakPolarHBondContact CZ-ND2 3.24Å; F29-N33 WeakPolarHBondContact O-CB 2.96Å; F29-N33 PolarHBondContact O-N 3.27Å; F29-N33 PolarHBondContact O-ND2 3.04Å
30	L	77.8	Confident	68.1	Low	115 Å²	115	110.9 Å²	110.9	60%	0.602	55%	0.546	S	S	*	.	H	α-helix	trans	-69.1	-41.7	173.2	-76.8	167.1	0	0	0	111.7	L26 I27 I28 N33 Y34	L26-L30 WeakPolarHBondContact O-CB 3.37Å; L26-L30 VanDerWaalsContact O-CG 3.28Å; L26-L30 WeakPolarHBondContact O-CG 3.14Å; L26-L30 PolarHBondContact O-N 3.42Å; I27-L30 PolarHBondContact O-N 2.92Å; I28-L30 VanDerWaalsContact C-N 3.33Å; I28-L30 PolarHBondContact O-N 2.84Å; L30-N33 PolarHBondContact O-N 3.43Å; L30-Y34 WeakPolarHBondContact O-CB 3.45Å; L30-Y34 PolarHBondContact O-N 2.92Å
31	I	76.7	Confident	66	Low	103 Å²	103	106.8 Å²	106.8	53%	0.528	54%	0.535	S	S	.	.	H	α-helix	trans	-62.8	-44.3	174.7	-69	166.3	0	0	0	110.3	I27 I28 Y34 S35	I27-I31 HydrophobicContact CG2-CD1 3.77Å; I27-I31 HydrophobicContact CG2-CG1 4.42Å; I27-I31 VanDerWaalsContact O-CG1 3.27Å; I27-I31 WeakPolarHBondContact O-CG1 3.27Å; I27-I31 PolarHBondContact O-N 2.85Å; I28-I31 PolarHBondContact O-N 2.74Å; I31-Y34 PolarHBondContact O-N 3.26Å; I31-S35 WeakPolarHBondContact O-CB 3.32Å; I31-S35 PolarHBondContact O-N 3.37Å; I31-S35 PolarHBondContact O-OG 2.84Å
32	I	71	Confident	63.8	Low	86 Å²	86	108.6 Å²	108.6	44%	0.441	54%	0.54	S	S	.	.	H	α-helix	trans	-63.2	-43.9	176.9	-68.5	167.3	0	0	0	110.7	I28 K36	I28-I32 HydrophobicContact CG2-CD1 3.66Å; I28-I32 HydrophobicContact CG2-CG1 4.32Å; I28-I32 WeakPolarHBondContact O-CB 3.35Å; I28-I32 VanDerWaalsContact O-CG1 3.24Å; I28-I32 WeakPolarHBondContact O-CG1 3.35Å; I28-I32 PolarHBondContact O-N 3.37Å; I32-K36 WeakPolarHBondContact O-CB 3.47Å; I32-K36 WeakPolarHBondContact O-CG 3.14Å; I32-K36 PolarHBondContact O-N 3.25Å
33	N	65.5	Low	61.6	Low	61 Å²	61	106.2 Å²	106.2	33%	0.326	53%	0.534	S	S	.	.	H	α-helix	trans	-74.1	-31.8	179.2	-83.9	-57.8	0	0	0	113.4	F29 L30 K36 K37	F29-N33 WeakPolarHBondContact CD1-ND2 3.26Å; F29-N33 WeakPolarHBondContact CE1-ND2 3.35Å; F29-N33 WeakPolarHBondContact CZ-ND2 3.24Å; F29-N33 WeakPolarHBondContact O-CB 2.96Å; F29-N33 PolarHBondContact O-N 3.27Å; F29-N33 PolarHBondContact O-ND2 3.04Å; L30-N33 PolarHBondContact O-N 3.43Å; N33-K36 CarbonylContact O-C 3.58Å; N33-K36 PolarHBondContact O-N 3.35Å; N33-K37 PolarHBondContact O-N 3.2Å
34	Y	64.6	Low	59.5	Low	188 Å²	188	108.5 Å²	108.5	74%	0.737	55%	0.546	S	S	*	.	H	α-helix	trans	-68.7	-42.3	173.2	-162.7	-92.4	0	0	0	110.2	L30 I31 K36 K37 S38	L30-Y34 WeakPolarHBondContact O-CB 3.45Å; L30-Y34 PolarHBondContact O-N 2.92Å; I31-Y34 PolarHBondContact O-N 3.26Å; Y34-K36 PolarHBondContact O-N 3.49Å; Y34-K37 PolarHBondContact O-N 2.77Å; Y34-S38 WeakPolarHBondContact O-CB 3.47Å; Y34-S38 PolarHBondContact O-N 3.1Å
35	S	54.5	Low	57.3	Low	57 Å²	57	108.2 Å²	108.2	40%	0.399	55%	0.548	S	S	.	.	H	α-helix	trans	-57.6	-46.6	166.8	-80.2	0	0	0	0	110.9	I31 K37 S38 F39	I31-S35 WeakPolarHBondContact O-CB 3.32Å; I31-S35 PolarHBondContact O-N 3.37Å; I31-S35 PolarHBondContact O-OG 2.84Å; S35-K37 VanDerWaalsContact C-N 3.34Å; S35-K37 PolarHBondContact O-N 2.83Å; S35-S38 CarbonylContact O-C 3.41Å; S35-S38 WeakPolarHBondContact O-CA 3.44Å; S35-S38 WeakPolarHBondContact O-CB 3.49Å; S35-S38 PolarHBondContact O-N 3.49Å; S35-S38 VanDerWaalsContact O-N 3.1Å; S35-F39 WeakPolarHBondContact O-CD2 3.37Å; S35-F39 PolarHBondContact O-N 2.84Å
36	K	49.8	Very low	55.4	Low	128 Å²	128	105.9 Å²	105.9	56%	0.557	54%	0.542	S	S	*	.	H	α-helix	trans	-61.7	-36	176.4	-81.1	-175.2	175.8	-176.8	0	113.6	I32 N33 Y34 F39 L40	I32-K36 WeakPolarHBondContact O-CB 3.47Å; I32-K36 WeakPolarHBondContact O-CG 3.14Å; I32-K36 PolarHBondContact O-N 3.25Å; N33-K36 CarbonylContact O-C 3.58Å; N33-K36 PolarHBondContact O-N 3.35Å; Y34-K36 PolarHBondContact O-N 3.49Å; K36-F39 CarbonylContact O-C 3.56Å; K36-F39 WeakPolarHBondContact O-CB 3.43Å; K36-F39 PolarHBondContact O-N 2.81Å; K36-L40 PolarHBondContact O-N 3.08Å; K36-L40 VanDerWaalsContact O-N 3.08Å
37	K	45.3	Very low	53.9	Low	165 Å²	165	105.8 Å²	105.8	72%	0.717	54%	0.541	S	S	*	.	H	α-helix	trans	-70.8	-34.5	172.9	-100.2	-173.6	173.5	-177.3	0	112	N33 Y34 S35 F39 L40	N33-K37 PolarHBondContact O-N 3.2Å; Y34-K37 PolarHBondContact O-N 2.77Å; S35-K37 VanDerWaalsContact C-N 3.34Å; S35-K37 PolarHBondContact O-N 2.83Å; K37-F39 VanDerWaalsContact C-N 3.25Å; K37-F39 PolarHBondContact O-N 3.29Å; K37-L40 PolarHBondContact O-N 2.81Å
38	S	40	Very low	52.6	Low	78 Å²	78	106.8 Å²	106.8	55%	0.545	55%	0.548	S	S	.	.	H	α-helix	trans	-68.3	-23.8	168	-173.5	0	0	0	0	112.7	Y34 S35 S41	Y34-S38 WeakPolarHBondContact O-CB 3.47Å; Y34-S38 PolarHBondContact O-N 3.1Å; S35-S38 CarbonylContact O-C 3.41Å; S35-S38 WeakPolarHBondContact O-CA 3.44Å; S35-S38 WeakPolarHBondContact O-CB 3.49Å; S35-S38 PolarHBondContact O-N 3.49Å; S35-S38 VanDerWaalsContact O-N 3.1Å; S38-S41 PolarHBondContact O-OG 3.21Å; S38-S41 VanDerWaalsContact O-OG 3.07Å
39	F	37.3	Very low	51.2	Low	156 Å²	156	105.2 Å²	105.2	68%	0.684	54%	0.54	S	S	*	.	H	α-helix	trans	-82.4	-15.2	172.8	-89.4	-76.2	0	0	0	113.2	S35 K36 K37 S41 V42	S35-F39 WeakPolarHBondContact O-CD2 3.37Å; S35-F39 PolarHBondContact O-N 2.84Å; K36-F39 CarbonylContact O-C 3.56Å; K36-F39 WeakPolarHBondContact O-CB 3.43Å; K36-F39 PolarHBondContact O-N 2.81Å; K37-F39 VanDerWaalsContact C-N 3.25Å; K37-F39 PolarHBondContact O-N 3.29Å; F39-S41 VanDerWaalsContact C-N 3.33Å; F39-V42 WeakPolarHBondContact O-CG2 3.49Å; F39-V42 PolarHBondContact O-N 2.79Å
40	L	34.8	Very low	50.3	Low	144 Å²	144	105.9 Å²	105.9	75%	0.754	54%	0.54	S	S	*	.	S	Bend	trans	-82.4	-10.1	176.7	-85.7	161	0	0	0	113.4	K36 K37 V42	K36-L40 PolarHBondContact O-N 3.08Å; K36-L40 VanDerWaalsContact O-N 3.08Å; K37-L40 PolarHBondContact O-N 2.81Å; L40-V42 PolarHBondContact O-N 3.07Å
41	S	34	Very low	49.6	Very low	62 Å²	62	104.7 Å²	104.7	43%	0.434	54%	0.535	S	S	.	.			trans	-83.4	73.5	151.3	58.8	0	0	0	0	108.3	S38 F39 N43	S38-S41 PolarHBondContact O-OG 3.21Å; S38-S41 VanDerWaalsContact O-OG 3.07Å; F39-S41 VanDerWaalsContact C-N 3.33Å; S41-N43 PolarHBondContact O-N 3.5Å
42	V	31.7	Very low	48.6	Very low	95 Å²	95	101.9 Å²	101.9	58%	0.576	52%	0.52	S	S	*	.			trans	-63.3	86.5	153.8	178.2	0	0	0	0	104.3	F39 L40 L44 I47	F39-V42 WeakPolarHBondContact O-CG2 3.49Å; F39-V42 PolarHBondContact O-N 2.79Å; L40-V42 PolarHBondContact O-N 3.07Å; V42-L44 PolarHBondContact O-N 3.4Å; V42-I47 HydrophobicContact CG1-CD1 4.36Å; V42-I47 HydrophobicContact CG1-CG1 4.22Å
43	N	35.7	Very low	48	Very low	93 Å²	93	101.2 Å²	101.2	50%	0.497	52%	0.517	S	S	.	.			trans	-57.5	137.7	-179.5	-82.2	-41.5	0	0	0	107	S41 T45 D46	S41-N43 PolarHBondContact O-N 3.5Å; N43-T45 WeakPolarHBondContact CB-OG1 3.07Å; N43-T45 PolarHBondContact O-N 3.04Å; N43-D46 PolarHBondContact O-N 2.8Å
44	L	39	Very low	47.8	Very low	143 Å²	143	104.8 Å²	104.8	75%	0.749	53%	0.526	S	S	*	.	H	α-helix	trans	-47.8	-19.6	171.6	-82	125.1	0	0	0	113.3	V42 N48	V42-L44 PolarHBondContact O-N 3.4Å; L44-N48 PolarHBondContact O-N 2.76Å; L44-N48 PolarHBondContact O-ND2 3.33Å
45	T	38.3	Very low	47.9	Very low	83 Å²	83	101.9 Å²	101.9	51%	0.509	52%	0.517	S	S	.	.	H	α-helix	trans	-60	-40.5	169.4	48.4	0	0	0	0	113.8	N43 N49	N43-T45 WeakPolarHBondContact CB-OG1 3.07Å; N43-T45 PolarHBondContact O-N 3.04Å; T45-N49 WeakPolarHBondContact O-CB 3.11Å; T45-N49 PolarHBondContact O-N 2.82Å; T45-N49 PolarHBondContact O-ND2 3.24Å; T45-N49 VanDerWaalsContact O-ND2 3.08Å; T45-N49 PolarHBondContact O-OD1 3.08Å
46	D	43.5	Very low	48.3	Very low	92 Å²	92	99.6 Å²	99.6	49%	0.492	50%	0.5	S	S	.	.	H	α-helix	trans	-75.2	-33.7	-175.8	-79	-18	0	0	0	113.2	N43 N49 Y50	N43-D46 PolarHBondContact O-N 2.8Å; D46-N49 PolarHBondContact O-N 2.96Å; D46-Y50 WeakPolarHBondContact O-CB 3.26Å; D46-Y50 PolarHBondContact O-N 2.89Å
47	I	50	Low	48.6	Very low	93 Å²	93	95.7 Å²	95.7	48%	0.477	49%	0.491	S	S	.	.	H	α-helix	trans	-67.8	-43.3	174.7	-63.8	173.3	0	0	0	110.2	V42 N49 Y50 N51	V42-I47 HydrophobicContact CG1-CD1 4.36Å; V42-I47 HydrophobicContact CG1-CG1 4.22Å; I47-N49 VanDerWaalsContact C-N 3.34Å; I47-Y50 PolarHBondContact O-N 3.27Å; I47-N51 PolarHBondContact O-N 2.57Å; I47-N51 PolarHBondContact O-ND2 3.28Å
48	N	55.9	Low	48.7	Very low	105 Å²	105	94.3 Å²	94.3	56%	0.561	49%	0.487	S	S	*	.	H	α-helix	trans	-63	-41.8	173.8	-76.4	-19.8	0	0	0	111.2	L44 N51 L52	L44-N48 PolarHBondContact O-N 2.76Å; L44-N48 PolarHBondContact O-ND2 3.33Å; N48-N51 PolarHBondContact O-N 3.45Å; N48-L52 WeakPolarHBondContact O-CB 3.26Å; N48-L52 PolarHBondContact O-N 2.83Å
49	N	51.7	Low	49.1	Very low	46 Å²	46	93.5 Å²	93.5	25%	0.246	48%	0.481	C	S	.	.	H	α-helix	trans	-60.9	-46.4	175.8	-72.5	-25	0	0	0	112.1	T45 D46 I47 L52 I53	T45-N49 WeakPolarHBondContact O-CB 3.11Å; T45-N49 PolarHBondContact O-N 2.82Å; T45-N49 PolarHBondContact O-ND2 3.24Å; T45-N49 VanDerWaalsContact O-ND2 3.08Å; T45-N49 PolarHBondContact O-OD1 3.08Å; D46-N49 PolarHBondContact O-N 2.96Å; I47-N49 VanDerWaalsContact C-N 3.34Å; N49-L52 PolarHBondContact O-N 2.95Å; N49-I53 WeakPolarHBondContact O-CB 3.4Å; N49-I53 WeakPolarHBondContact O-CD1 3.33Å; N49-I53 VanDerWaalsContact O-CG1 3.24Å; N49-I53 WeakPolarHBondContact O-CG1 3.28Å; N49-I53 PolarHBondContact O-N 3.4Å
50	Y	58.4	Low	49.4	Very low	131 Å²	131	88 Å²	88	51%	0.514	46%	0.457	S	S	.	.	H	α-helix	trans	-61.7	-45.2	179.1	179.1	-96.9	0	0	0	111.9	D46 I47 L52 I53 R54	D46-Y50 WeakPolarHBondContact O-CB 3.26Å; D46-Y50 PolarHBondContact O-N 2.89Å; I47-Y50 PolarHBondContact O-N 3.27Å; Y50-L52 VanDerWaalsContact C-N 3.33Å; Y50-L52 PolarHBondContact O-N 3.24Å; Y50-I53 PolarHBondContact O-N 2.86Å; Y50-R54 WeakPolarHBondContact O-CB 3.36Å; Y50-R54 PolarHBondContact O-N 3.41Å; Y50-R54 PolarHBondContact OH-NH1 3.34Å
51	N	63.1	Low	49.6	Very low	90 Å²	90	86.4 Å²	86.4	48%	0.481	46%	0.458	S	S	.	.	H	α-helix	trans	-64.3	-38.6	177.3	-72.2	-26.7	0	0	0	111.9	I47 N48 K55	I47-N51 PolarHBondContact O-N 2.57Å; I47-N51 PolarHBondContact O-ND2 3.28Å; N48-N51 PolarHBondContact O-N 3.45Å; N51-K55 VanDerWaalsContact O-CB 3.29Å; N51-K55 WeakPolarHBondContact O-CB 3.49Å; N51-K55 PolarHBondContact O-N 3.49Å
52	L	57	Low	49.6	Very low	44 Å²	44	86.3 Å²	86.3	23%	0.23	47%	0.467	C	S	.	.	H	α-helix	trans	-65.3	-47.8	176.7	-146.1	100.7	0	0	0	111.5	N48 N49 Y50 R54 K55 Y56 D394	N48-L52 WeakPolarHBondContact O-CB 3.26Å; N48-L52 PolarHBondContact O-N 2.83Å; N49-L52 PolarHBondContact O-N 2.95Å; Y50-L52 VanDerWaalsContact C-N 3.33Å; Y50-L52 PolarHBondContact O-N 3.24Å; L52-R54 VanDerWaalsContact C-N 3.33Å; L52-R54 PolarHBondContact O-N 3.32Å; L52-K55 PolarHBondContact O-N 3.44Å; L52-Y56 HydrophobicContact CD1-CE2 4.44Å; L52-Y56 HydrophobicContact CD2-CD2 4.24Å; L52-Y56 HydrophobicContact CD2-CE2 4.02Å; L52-Y56 HydrophobicContact CG-CD2 4.03Å; L52-Y56 HydrophobicContact CG-CE2 3.79Å; L52-Y56 WeakPolarHBondContact O-CD2 3.45Å; L52-Y56 PolarHBondContact O-N 2.94Å; L52-D394 HydrophobicContact CD1-CB 4.24Å; L52-D394 HydrophobicContact CD2-CB 4.23Å; L52-D394 WeakPolarHBondContact CD2-O 3.45Å
53	I	57.7	Low	50	Low	71 Å²	71	85.2 Å²	85.2	36%	0.364	46%	0.455	S	S	.	.	H	α-helix	trans	-57.8	-47.3	176.6	-72.3	163.9	0	0	0	110.2	N49 Y50 Y56 A57 Y398	N49-I53 WeakPolarHBondContact O-CB 3.4Å; N49-I53 WeakPolarHBondContact O-CD1 3.33Å; N49-I53 VanDerWaalsContact O-CG1 3.24Å; N49-I53 WeakPolarHBondContact O-CG1 3.28Å; N49-I53 PolarHBondContact O-N 3.4Å; Y50-I53 PolarHBondContact O-N 2.86Å; I53-Y56 PolarHBondContact O-N 2.7Å; I53-A57 WeakPolarHBondContact O-CB 3.28Å; I53-A57 PolarHBondContact O-N 3.29Å; I53-Y398 HydrophobicContact CB-CD2 4.3Å; I53-Y398 HydrophobicContact CB-CE2 4.23Å; I53-Y398 HydrophobicContact CG1-CD2 3.83Å; I53-Y398 HydrophobicContact CG1-CE2 4.07Å; I53-Y398 HydrophobicContact CG2-CE2 4.12Å
54	R	61.4	Low	50.3	Low	136 Å²	136	89.2 Å²	89.2	51%	0.513	47%	0.471	S	S	.	.	H	α-helix	trans	-65.9	-40.2	-178.8	-162.4	174	-176.8	159.9	-3.3	112.2	Y50 L52 Q58	Y50-R54 WeakPolarHBondContact O-CB 3.36Å; Y50-R54 PolarHBondContact O-N 3.41Å; Y50-R54 PolarHBondContact OH-NH1 3.34Å; L52-R54 VanDerWaalsContact C-N 3.33Å; L52-R54 PolarHBondContact O-N 3.32Å; R54-Q58 PolarHBondContact O-N 2.57Å
55	K	67.8	Low	50.4	Low	128 Å²	128	84.5 Å²	84.5	56%	0.557	45%	0.446	S	S	*	.	H	α-helix	trans	-60.5	-46	176.3	-176.1	-177.9	178.6	-176.5	0	111.8	N51 L52 S59	N51-K55 VanDerWaalsContact O-CB 3.29Å; N51-K55 WeakPolarHBondContact O-CB 3.49Å; N51-K55 PolarHBondContact O-N 3.49Å; L52-K55 PolarHBondContact O-N 3.44Å; K55-S59 PolarHBondContact O-N 2.02Å
56	Y	62.4	Low	50.2	Low	9 Å²	9	84.5 Å²	84.5	4%	0.035	45%	0.45	C	S	.	.	H	α-helix	trans	-83.1	-30.9	-177	-70.6	-64.3	0	0	0	113.7	L52 I53 Q58 S59 F60 Q391 D394 Y395 Y398	L52-Y56 HydrophobicContact CD1-CE2 4.44Å; L52-Y56 HydrophobicContact CD2-CD2 4.24Å; L52-Y56 HydrophobicContact CD2-CE2 4.02Å; L52-Y56 HydrophobicContact CG-CD2 4.03Å; L52-Y56 HydrophobicContact CG-CE2 3.79Å; L52-Y56 WeakPolarHBondContact O-CD2 3.45Å; L52-Y56 PolarHBondContact O-N 2.94Å; I53-Y56 PolarHBondContact O-N 2.7Å; Y56-Q58 VanDerWaalsContact C-N 3.29Å; Y56-Q58 PolarHBondContact O-N 2.87Å; Y56-S59 WeakPolarHBondContact O-CB 3.25Å; Y56-S59 PolarHBondContact O-N 3.13Å; Y56-S59 VanDerWaalsContact O-N 3.17Å; Y56-F60 PolarHBondContact O-N 3.47Å; Y56-Q391 HydrophobicContact CE1-CG 4.46Å; Y56-Q391 WeakPolarHBondContact OH-CG 3.41Å; Y56-Q391 PolarHBondContact OH-O 2.79Å; Y56-D394 HydrophobicContact CE2-CB 4.16Å; Y56-Y395 AromaticContact CD1-CD2 3.54Å; Y56-Y395 HydrophobicContact CD1-CD2 3.54Å; Y56-Y395 HydrophobicContact CD1-CE2 4.32Å; Y56-Y395 HydrophobicContact CD1-CG 4.39Å; Y56-Y395 HydrophobicContact CD2-CD2 4.41Å; Y56-Y395 AromaticContact CE1-CD2 3.97Å; Y56-Y395 HydrophobicContact CE1-CD2 3.97Å; Y56-Y395 HydrophobicContact CE1-CG 4.39Å; Y56-Y395 AromaticContact CG-CD2 3.8Å; Y56-Y395 HydrophobicContact CG-CD2 3.8Å; Y56-Y395 HydrophobicContact CG-CE2 4.5Å; Y56-Y398 HydrophobicContact CD2-CG 4.41Å
57	A	54.9	Low	50	Low	45 Å²	45	86 Å²	86	37%	0.372	46%	0.456	S	S	.	.	H	α-helix	trans	-60.3	-38.4	174.4	0	0	0	0	0	112.2	I53 F60	I53-A57 WeakPolarHBondContact O-CB 3.28Å; I53-A57 PolarHBondContact O-N 3.29Å; A57-F60 PolarHBondContact O-N 2.89Å
58	Q	49.1	Very low	49.2	Very low	137 Å²	137	85.7 Å²	85.7	64%	0.64	46%	0.463	S	S	*	.	H	α-helix	trans	-72.9	-31.1	175.6	-70.7	179.4	-13.5	0	0	113.1	R54 Y56 F60 S61	R54-Q58 PolarHBondContact O-N 2.57Å; Y56-Q58 VanDerWaalsContact C-N 3.29Å; Y56-Q58 PolarHBondContact O-N 2.87Å; Q58-F60 VanDerWaalsContact C-N 3.27Å; Q58-F60 PolarHBondContact O-N 3.14Å; Q58-S61 PolarHBondContact O-OG 3.27Å
59	S	47.8	Very low	48.2	Very low	60 Å²	60	87.8 Å²	87.8	42%	0.42	47%	0.474	S	S	.	.	H	α-helix	trans	-69.3	-26.5	173	-173.2	0	0	0	0	112.4	K55 Y56 H63	K55-S59 PolarHBondContact O-N 2.02Å; Y56-S59 WeakPolarHBondContact O-CB 3.25Å; Y56-S59 PolarHBondContact O-N 3.13Å; Y56-S59 VanDerWaalsContact O-N 3.17Å; S59-H63 PolarHBondContact O-ND1 3.28Å
60	F	42.7	Very low	47.7	Very low	42 Å²	42	88 Å²	88	18%	0.184	48%	0.475	C	S	.	.	H	α-helix	trans	-80.5	-33.4	-174.3	-130.1	-108.2	0	0	0	113.7	Y56 A57 Q58 G62 H63 Y395 Y409	Y56-F60 PolarHBondContact O-N 3.47Å; A57-F60 PolarHBondContact O-N 2.89Å; Q58-F60 VanDerWaalsContact C-N 3.27Å; Q58-F60 PolarHBondContact O-N 3.14Å; F60-G62 PolarHBondContact O-N 3.49Å; F60-G62 VanDerWaalsContact O-N 3.09Å; F60-H63 PolarHBondContact O-N 3.01Å; F60-Y395 HydrophobicContact CD2-CE2 4.19Å; F60-Y395 HydrophobicContact CE2-CE2 4.09Å; F60-Y395 AromaticContact CE2-CZ 3.66Å; F60-Y395 WeakPolarHBondContact CE2-OH 3.42Å; F60-Y395 VanDerWaalsContact CZ-OH 3.25Å; F60-Y395 WeakPolarHBondContact CZ-OH 3.48Å; F60-Y409 AromaticContact CZ-CE2 3.8Å; F60-Y409 HydrophobicContact CZ-CE2 3.8Å; F60-Y409 AromaticContact CZ-CZ 3.74Å; F60-Y409 WeakPolarHBondContact CZ-OH 3.26Å
61	S	40.4	Very low	47.1	Very low	109 Å²	109	89.1 Å²	89.1	76%	0.762	49%	0.489	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.5	-9.9	177.3	56.5	0	0	0	0	114	Q58	Q58-S61 PolarHBondContact O-OG 3.27Å
62	G	33.4	Very low	46.5	Very low	60 Å²	60	87.2 Å²	87.2	62%	0.619	48%	0.476	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.8	1.4	177	0	0	0	0	0	114.9	F60 E64	F60-G62 PolarHBondContact O-N 3.49Å; F60-G62 VanDerWaalsContact O-N 3.09Å; G62-E64 VanDerWaalsContact C-N 3.27Å; G62-E64 PolarHBondContact O-N 3.42Å
63	H	40.1	Very low	46.1	Very low	72 Å²	72	88.1 Å²	88.1	33%	0.333	48%	0.483	S	S	.	.			trans	-93.1	42.4	176.4	-89.5	55.8	0	0	0	111.4	S59 F60 N65	S59-H63 PolarHBondContact O-ND1 3.28Å; F60-H63 PolarHBondContact O-N 3.01Å; H63-N65 PolarHBondContact O-N 3.16Å
64	E	40.8	Very low	45.4	Very low	178 Å²	178	90.9 Å²	90.9	83%	0.832	50%	0.503	S	S	*	.	S	Bend	trans	-64.7	122.9	148.2	-79.7	-175.5	169.8	0	0	105.5	G62 S66	G62-E64 VanDerWaalsContact C-N 3.27Å; G62-E64 PolarHBondContact O-N 3.42Å; E64-S66 PolarHBondContact O-N 3.03Å
65	N	42.6	Very low	44.9	Very low	43 Å²	43	86 Å²	86	23%	0.23	49%	0.485	C	S	.	.			trans	-64.4	77	174.4	-74.2	-32.3	0	0	0	108.6	H63 I67 V372	H63-N65 PolarHBondContact O-N 3.16Å; N65-I67 PolarHBondContact O-N 2.83Å; N65-V372 HydrophobicContact CB-CG1 3.89Å; N65-V372 HydrophobicContact CB-CG2 3.78Å
66	S	34.6	Very low	43.5	Very low	84 Å²	84	85.5 Å²	85.5	59%	0.587	50%	0.498	S	S	*	.			trans	-61.1	124	173	174.7	0	0	0	0	108	E64 S68	E64-S66 PolarHBondContact O-N 3.03Å; S66-S68 PolarHBondContact O-N 3.29Å; S66-S68 WeakPolarHBondContact OG-CB 3.42Å; S66-S68 PolarHBondContact OG-N 3.46Å; S66-S68 PolarHBondContact OG-OG 2.95Å
67	I	37.4	Very low	42.6	Very low	122 Å²	122	87.4 Å²	87.4	63%	0.626	51%	0.51	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.6	3.3	177.7	-62.5	173	0	0	0	110.6	N65 D69 I70 V372	N65-I67 PolarHBondContact O-N 2.83Å; I67-D69 PolarHBondContact O-N 3.45Å; I67-I70 HydrophobicContact CG2-CD1 3.5Å; I67-I70 HydrophobicContact CG2-CG1 4.35Å; I67-I70 VanDerWaalsContact O-CD1 3.27Å; I67-I70 WeakPolarHBondContact O-CD1 3.22Å; I67-I70 WeakPolarHBondContact O-CG1 3.45Å; I67-V372 HydrophobicContact CG1-CG1 4.39Å
68	S	34.6	Very low	42	Very low	88 Å²	88	92.9 Å²	92.9	62%	0.615	53%	0.528	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.3	-22.4	-169.4	62.3	0	0	0	0	116.1	S66	S66-S68 PolarHBondContact O-N 3.29Å; S66-S68 WeakPolarHBondContact OG-CB 3.42Å; S66-S68 PolarHBondContact OG-N 3.46Å; S66-S68 PolarHBondContact OG-OG 2.95Å
69	D	33.5	Very low	42	Very low	148 Å²	148	89 Å²	89	79%	0.791	51%	0.509	S	S	*	.			trans	-114.3	72.7	-170.4	-62	0.1	0	0	0	110.3	I67	I67-D69 PolarHBondContact O-N 3.45Å
70	I	42.6	Very low	42.1	Very low	52 Å²	52	92.6 Å²	92.6	27%	0.267	51%	0.514	S	S	.	.			trans	-108.1	101.4	-176.9	-43.5	167	0	0	0	112.1	I67 Y72	I67-I70 HydrophobicContact CG2-CD1 3.5Å; I67-I70 HydrophobicContact CG2-CG1 4.35Å; I67-I70 VanDerWaalsContact O-CD1 3.27Å; I67-I70 WeakPolarHBondContact O-CD1 3.22Å; I67-I70 WeakPolarHBondContact O-CG1 3.45Å; I70-Y72 HydrophobicContact CB-CD2 4.09Å; I70-Y72 HydrophobicContact CB-CE2 3.71Å; I70-Y72 HydrophobicContact CD1-CE2 3.79Å; I70-Y72 VanDerWaalsContact CD1-OH 3.23Å; I70-Y72 WeakPolarHBondContact CD1-OH 3.44Å; I70-Y72 HydrophobicContact CG1-CE2 4.36Å; I70-Y72 HydrophobicContact CG2-CD1 3.76Å; I70-Y72 HydrophobicContact CG2-CD2 3.47Å; I70-Y72 VanDerWaalsContact CG2-CD2 3.47Å; I70-Y72 HydrophobicContact CG2-CE1 3.5Å; I70-Y72 HydrophobicContact CG2-CE2 3.2Å; I70-Y72 HydrophobicContact CG2-CG 3.75Å; I70-Y72 PolarHBondContact O-N 2.89Å
71	D	44.8	Very low	42.3	Very low	153 Å²	153	98.5 Å²	98.5	82%	0.818	54%	0.539	S	S	*	.			trans	-77.3	92.3	157.9	-90.5	-21.6	0	0	0	108.8
72	Y	51.1	Low	42.9	Very low	51 Å²	51	98.6 Å²	98.6	20%	0.2	53%	0.531	C	S	.	.			trans	-78	141.6	159.4	-62.9	-71.5	0	0	0	108.2	I70 T74 Y126	I70-Y72 HydrophobicContact CB-CD2 4.09Å; I70-Y72 HydrophobicContact CB-CE2 3.71Å; I70-Y72 HydrophobicContact CD1-CE2 3.79Å; I70-Y72 VanDerWaalsContact CD1-OH 3.23Å; I70-Y72 WeakPolarHBondContact CD1-OH 3.44Å; I70-Y72 HydrophobicContact CG1-CE2 4.36Å; I70-Y72 HydrophobicContact CG2-CD1 3.76Å; I70-Y72 HydrophobicContact CG2-CD2 3.47Å; I70-Y72 VanDerWaalsContact CG2-CD2 3.47Å; I70-Y72 HydrophobicContact CG2-CE1 3.5Å; I70-Y72 HydrophobicContact CG2-CE2 3.2Å; I70-Y72 HydrophobicContact CG2-CG 3.75Å; I70-Y72 PolarHBondContact O-N 2.89Å; Y72-T74 PolarHBondContact O-N 3.03Å; Y72-Y126 HydrophobicContact CD1-CD1 4.22Å; Y72-Y126 AromaticContact CD1-CD2 3.89Å; Y72-Y126 HydrophobicContact CD1-CD2 3.89Å; Y72-Y126 HydrophobicContact CD1-CE1 4.41Å; Y72-Y126 HydrophobicContact CD1-CE2 4.11Å; Y72-Y126 AromaticContact CD1-CG 3.97Å; Y72-Y126 HydrophobicContact CD1-CG 3.97Å; Y72-Y126 AromaticContact CE1-CD1 3.8Å; Y72-Y126 HydrophobicContact CE1-CD1 3.8Å; Y72-Y126 AromaticContact CE1-CD2 3.84Å; Y72-Y126 HydrophobicContact CE1-CD2 3.84Å; Y72-Y126 HydrophobicContact CE1-CE1 4.41Å; Y72-Y126 HydrophobicContact CE1-CE2 4.46Å; Y72-Y126 AromaticContact CE1-CG 3.48Å; Y72-Y126 HydrophobicContact CE1-CG 3.48Å; Y72-Y126 VanDerWaalsContact CE1-CG 3.48Å; Y72-Y126 HydrophobicContact CG-CD2 4.35Å; Y72-Y126 AromaticContact CZ-CG 3.93Å; Y72-Y126 WeakPolarHBondContact OH-CB 3.45Å
73	V	48.1	Very low	44.1	Very low	63 Å²	63	96.4 Å²	96.4	38%	0.382	51%	0.506	S	S	.	.			trans	-64.4	98.8	151.2	179.5	0	0	0	0	104.8	R75	V73-R75 HydrophobicContact CG1-CG 4.3Å; V73-R75 PolarHBondContact O-N 3.42Å
74	T	44	Very low	45.1	Very low	128 Å²	128	96.8 Å²	96.8	79%	0.785	51%	0.509	S	S	*	.			trans	-62.3	91.7	165	23.7	0	0	0	0	105.6	Y72 S76	Y72-T74 PolarHBondContact O-N 3.03Å; T74-S76 PolarHBondContact O-N 2.92Å
75	R	49.9	Very low	46.3	Very low	33 Å²	33	90.8 Å²	90.8	13%	0.125	48%	0.482	C	S	.	.			trans	-58.9	106.1	175.7	-66.6	-173.9	-168.3	156.3	16.2	106.1	V73 T77 D240 W450	V73-R75 HydrophobicContact CG1-CG 4.3Å; V73-R75 PolarHBondContact O-N 3.42Å; R75-T77 PolarHBondContact O-N 2.97Å; R75-T77 PolarHBondContact O-OG1 3.45Å; R75-D240 IonicContact CZ-OD1 2.69Å; R75-D240 IonicContact CZ-OD2 3.52Å; R75-D240 IonicContact NH1-OD1 3.75Å; R75-D240 PolarHBondContact NH1-OD1 3.1Å; R75-D240 IonicContact NH1-OD2 3.8Å; R75-D240 PolarHBondContact NH1-OD2 3.11Å; R75-D240 IonicContact NH2-OD1 3.49Å; R75-W450 VanDerWaalsContact NH1-CE2 3.27Å
76	S	38.4	Very low	47.5	Very low	119 Å²	119	90.2 Å²	90.2	83%	0.832	48%	0.479	S	S	*	.			trans	-69.7	46.1	164.4	69.6	0	0	0	0	109.3	T74 E78	T74-S76 PolarHBondContact O-N 2.92Å; S76-E78 PolarHBondContact O-N 3.37Å
77	T	44.9	Very low	49.3	Very low	48 Å²	48	90.8 Å²	90.8	29%	0.294	48%	0.483	S	S	.	.			trans	-63.6	118.8	154	38.8	0	0	0	0	104.3	R75 K79 W450	R75-T77 PolarHBondContact O-N 2.97Å; R75-T77 PolarHBondContact O-OG1 3.45Å; T77-K79 PolarHBondContact O-N 3.13Å; T77-K79 VanDerWaalsContact OG1-CE 3.3Å; T77-K79 WeakPolarHBondContact OG1-CE 3.36Å; T77-K79 WeakPolarHBondContact OG1-CG 2.9Å; T77-W450 HydrophobicContact CG2-CB 4.45Å
78	E	41.7	Very low	51.5	Low	160 Å²	160	89.8 Å²	89.8	75%	0.748	48%	0.475	S	S	*	.			trans	-58.7	61.3	161.8	-73.3	174.9	134.8	0	0	108.6	S76 R80	S76-E78 PolarHBondContact O-N 3.37Å; E78-R80 PolarHBondContact O-N 3.32Å; E78-R80 VanDerWaalsContact O-N 3.09Å
79	K	48.3	Very low	54	Low	55 Å²	55	86.3 Å²	86.3	24%	0.239	45%	0.448	C	S	.	.			trans	-58.4	119.9	169.6	-70.6	-180	-179	179.6	0	103.1	T77 K81 D240	T77-K79 PolarHBondContact O-N 3.13Å; T77-K79 VanDerWaalsContact OG1-CE 3.3Å; T77-K79 WeakPolarHBondContact OG1-CE 3.36Å; T77-K79 WeakPolarHBondContact OG1-CG 2.9Å; K79-K81 PolarHBondContact O-N 3.47Å; K79-D240 IonicContact NZ-OD2 2.74Å
80	R	49.7	Very low	56.6	Low	137 Å²	137	83.2 Å²	83.2	52%	0.517	43%	0.428	S	S	.	.			trans	-53.8	97.4	165.8	-75	-178.3	177.3	164.3	2.7	106.7	E78 N82	E78-R80 PolarHBondContact O-N 3.32Å; E78-R80 VanDerWaalsContact O-N 3.09Å; R80-N82 PolarHBondContact O-N 2.84Å
81	K	47.5	Very low	59	Low	166 Å²	166	85 Å²	85	72%	0.722	44%	0.438	S	S	*	.	S	Bend	trans	-64.4	12.7	-170.3	-83.3	-167.1	171.7	-166.5	0	114.6	K79	K79-K81 PolarHBondContact O-N 3.47Å
82	N	52.5	Low	61.4	Low	110 Å²	110	78.2 Å²	78.2	59%	0.588	40%	0.404	S	S	*	.			trans	-146	51.4	-168.2	-63	-50.8	0	0	0	110.8	R80 I84	R80-N82 PolarHBondContact O-N 2.84Å; N82-I84 VanDerWaalsContact C-N 3.27Å; N82-I84 PolarHBondContact O-N 2.91Å
83	V	58.6	Low	63.6	Low	14 Å²	14	77.6 Å²	77.6	9%	0.085	41%	0.408	C	S	.	.			trans	-72.9	95.8	159.8	-176.3	0	0	0	0	105.5	I85 F120 Y442	V83-I85 PolarHBondContact O-N 3.34Å; V83-F120 HydrophobicContact CB-CD2 3.97Å; V83-F120 HydrophobicContact CB-CE2 4.26Å; V83-F120 HydrophobicContact CG1-CD2 4.31Å; V83-F120 HydrophobicContact CG1-CE2 4.09Å; V83-F120 HydrophobicContact CG2-CD2 4.1Å; V83-Y442 HydrophobicContact CG2-CD2 3.73Å; V83-Y442 HydrophobicContact CG2-CG 4.45Å
84	I	60.6	Low	66	Low	81 Å²	81	77.5 Å²	77.5	42%	0.415	41%	0.405	S	S	.	.			trans	-67	123.1	173.2	-56.3	171.7	0	0	0	106.5	N82 E439	N82-I84 VanDerWaalsContact C-N 3.27Å; N82-I84 PolarHBondContact O-N 2.91Å; I84-E439 HydrophobicContact CB-CB 4.42Å; I84-E439 HydrophobicContact CB-CG 4.33Å; I84-E439 VanDerWaalsContact CB-OE2 3.23Å; I84-E439 WeakPolarHBondContact CB-OE2 3.39Å; I84-E439 HydrophobicContact CG2-CG 4.37Å; I84-E439 WeakPolarHBondContact CG2-OE1 3.41Å; I84-E439 VanDerWaalsContact CG2-OE2 3.27Å; I84-E439 WeakPolarHBondContact CG2-OE2 3.23Å; I84-E439 WeakPolarHBondContact O-CB 3Å; I84-E439 WeakPolarHBondContact O-CG 3.34Å; I84-E439 PolarHBondContact O-N 3.5Å
85	I	66.7	Low	68.5	Low	51 Å²	51	73.8 Å²	73.8	26%	0.262	38%	0.38	S	S	.	.	B	Isolated β-bridge	trans	-83.4	147.1	-179.5	-65.8	155.3	0	0	0	108.8	V83 S87 R89 E121	V83-I85 PolarHBondContact O-N 3.34Å; I85-S87 PolarHBondContact O-N 3.48Å; I85-S87 VanDerWaalsContact O-N 3.14Å; I85-R89 HydrophobicContact CG2-CB 4.22Å; I85-E121 HydrophobicContact CD1-CB 3.71Å; I85-E121 HydrophobicContact CD1-CG 3.47Å; I85-E121 VanDerWaalsContact CD1-CG 3.47Å; I85-E121 WeakPolarHBondContact CD1-OE1 3.42Å; I85-E121 HydrophobicContact CG1-CG 4.08Å; I85-E121 WeakPolarHBondContact CG1-OE1 3.48Å
86	N	67.2	Low	70.8	Confident	31 Å²	31	75 Å²	75	17%	0.166	39%	0.391	C	S	.	.			trans	-43.3	120.3	170.4	-176.5	-8.7	0	0	0	112.4	K88 R89 N437	N86-K88 PolarHBondContact O-N 3.44Å; N86-K88 VanDerWaalsContact OD1-CB 3.27Å; N86-K88 WeakPolarHBondContact OD1-CB 3.39Å; N86-K88 PolarHBondContact OD1-N 2.8Å; N86-R89 PolarHBondContact O-N 2.69Å; N86-N437 HydrophobicContact CB-CB 3.69Å; N86-N437 WeakPolarHBondContact CB-O 3.28Å; N86-N437 PolarHBondContact N-O 3.01Å; N86-N437 VanDerWaalsContact ND2-CG 3.26Å; N86-N437 PolarHBondContact ND2-OD1 3Å
87	S	72.9	Confident	73.6	Confident	96 Å²	96	72.6 Å²	72.6	67%	0.671	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.2	-20.1	176.1	59.2	0	0	0	0	113.9	I85 H90	I85-S87 PolarHBondContact O-N 3.48Å; I85-S87 VanDerWaalsContact O-N 3.14Å; S87-H90 PolarHBondContact O-CE1 3.35Å; S87-H90 PolarHBondContact O-ND1 3.43Å
88	K	83.2	Confident	76.1	Confident	102 Å²	102	70.3 Å²	70.3	44%	0.443	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.8	3.5	178.8	-59	-173.5	178.2	-177.1	0	115	N86 H90 L91 V140	N86-K88 PolarHBondContact O-N 3.44Å; N86-K88 VanDerWaalsContact OD1-CB 3.27Å; N86-K88 WeakPolarHBondContact OD1-CB 3.39Å; N86-K88 PolarHBondContact OD1-N 2.8Å; K88-H90 PolarHBondContact O-N 2.91Å; K88-H90 VanDerWaalsContact O-N 3.09Å; K88-L91 HydrophobicContact CB-CD1 4.05Å; K88-L91 HydrophobicContact CD-CD1 4.4Å; K88-L91 HydrophobicContact CG-CD1 4.17Å; K88-L91 VanDerWaalsContact O-CB 3.28Å; K88-L91 WeakPolarHBondContact O-CB 3.11Å; K88-L91 PolarHBondContact O-N 3.26Å; K88-V140 HydrophobicContact CB-CG1 4.14Å
89	R	87.6	Confident	78.7	Confident	14 Å²	14	62.7 Å²	62.7	5%	0.053	32%	0.316	C	S	.	.	G	3₁₀ helix	trans	-51.6	-37.5	-179.9	176.5	164.5	-68.8	167.5	3.3	113.6	I85 N86 L91 G92 L115 E121 Y137 E434	I85-R89 HydrophobicContact CG2-CB 4.22Å; N86-R89 PolarHBondContact O-N 2.69Å; R89-L91 PolarHBondContact O-N 2.91Å; R89-G92 PolarHBondContact O-N 2.68Å; R89-L115 PolarHBondContact NH1-O 3.26Å; R89-E121 IonicContact CZ-OE1 3.59Å; R89-E121 VanDerWaalsContact CZ-OE1 3.29Å; R89-E121 IonicContact NH1-OE1 2.68Å; R89-E121 PolarHBondContact NH1-OE1 3.48Å; R89-E121 IonicContact NH1-OE2 2.95Å; R89-E121 PolarHBondContact NH1-OE2 2.98Å; R89-E121 IonicContact NH2-OE1 2.66Å; R89-E121 PolarHBondContact NH2-OE1 3.08Å; R89-Y137 HydrophobicContact CG-CE2 4.34Å; R89-Y137 PolarHBondContact O-OH 3.26Å; R89-E434 IonicContact CZ-OE2 3.2Å; R89-E434 IonicContact NE-OE2 3.01Å; R89-E434 PolarHBondContact NE-OE2 2.9Å; R89-E434 IonicContact NH2-OE2 3.29Å; R89-E434 PolarHBondContact NH2-OE2 2.92Å
90	H	89	Confident	81	Confident	83 Å²	83	63 Å²	63	38%	0.384	32%	0.32	S	S	.	.	G	3₁₀ helix	trans	-62.8	-16.9	177.7	69.4	-84.7	0	0	0	114.3	S87 K88 M112	S87-H90 PolarHBondContact O-CE1 3.35Å; S87-H90 PolarHBondContact O-ND1 3.43Å; K88-H90 PolarHBondContact O-N 2.91Å; K88-H90 VanDerWaalsContact O-N 3.09Å; H90-M112 WeakPolarHBondContact CA-O 3.19Å; H90-M112 HydrophobicContact CB-CB 4.48Å; H90-M112 WeakPolarHBondContact CB-O 3.48Å
91	L	92.6	Very high	83.1	Confident	89 Å²	89	60.6 Å²	60.6	47%	0.466	32%	0.315	S	S	.	.	G	3₁₀ helix	trans	-87.1	-4.2	174.7	-59.3	177	0	0	0	113.2	K88 R89 V140	K88-L91 HydrophobicContact CB-CD1 4.05Å; K88-L91 HydrophobicContact CD-CD1 4.4Å; K88-L91 HydrophobicContact CG-CD1 4.17Å; K88-L91 VanDerWaalsContact O-CB 3.28Å; K88-L91 WeakPolarHBondContact O-CB 3.11Å; K88-L91 PolarHBondContact O-N 3.26Å; R89-L91 PolarHBondContact O-N 2.91Å; L91-V140 HydrophobicContact CB-CB 4.09Å; L91-V140 HydrophobicContact CB-CG2 3.59Å
92	G	95.5	Very high	85.4	Confident	11 Å²	11	54.7 Å²	54.7	11%	0.113	29%	0.29	C	S	.	.	S	Bend	trans	-68.6	-179.3	166.5	0	0	0	0	0	111.7	R89 M112 V138	R89-G92 PolarHBondContact O-N 2.68Å; G92-M112 WeakPolarHBondContact O-CE 3.44Å; G92-V138 VanDerWaalsContact CA-O 3.25Å; G92-V138 WeakPolarHBondContact CA-O 3.36Å
93	S	97.1	Very high	87.4	Confident	39 Å²	39	53.5 Å²	53.5	27%	0.273	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	163.2	-179.8	68.9	0	0	0	0	112.8	Y137 V138 L143	S93-Y137 WeakPolarHBondContact O-CA 3.48Å; S93-V138 PolarHBondContact N-O 3.4Å; S93-V138 PolarHBondContact O-N 2.77Å; S93-L143 WeakPolarHBondContact OG-CD1 3.29Å
94	I	97.6	Very high	89.2	Confident	61 Å²	61	53.7 Å²	53.7	31%	0.313	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	124.5	171.5	-59.9	-58.9	0	0	0	107.6	L106 F110 M112 L115 S136 Y137	I94-L106 HydrophobicContact CG2-CD2 4.03Å; I94-F110 HydrophobicContact CD1-CB 4.3Å; I94-F110 HydrophobicContact CD1-CD2 3.88Å; I94-F110 HydrophobicContact CD1-CG 4.27Å; I94-F110 HydrophobicContact CG1-CD2 4.15Å; I94-F110 HydrophobicContact CG2-CD2 4.21Å; I94-F110 HydrophobicContact CG2-CE2 4.43Å; I94-M112 HydrophobicContact CD1-CE 4.38Å; I94-M112 HydrophobicContact CD1-SD 3.75Å; I94-M112 HydrophobicContact CG1-CE 4.47Å; I94-M112 HydrophobicContact CG1-SD 3.66Å; I94-L115 HydrophobicContact CD1-CD2 4.47Å; I94-S136 CarbonylContact C-O 3.55Å; I94-S136 WeakPolarHBondContact CA-O 3.41Å; I94-Y137 HydrophobicContact CD1-CD2 4.46Å
95	D	97.8	Very high	90.9	Very high	50 Å²	50	52.5 Å²	52.5	27%	0.267	28%	0.277	S	S	.	.			trans	-116.5	139.7	178.9	-173.8	-66.1	0	0	0	109.7	K97 S136 V138 P173	D95-K97 WeakPolarHBondContact OD1-CB 3.34Å; D95-K97 PolarHBondContact OD1-N 3.19Å; D95-S136 PolarHBondContact N-O 3.28Å; D95-S136 WeakPolarHBondContact O-CA 3.3Å; D95-S136 VanDerWaalsContact O-CB 3.23Å; D95-S136 WeakPolarHBondContact O-CB 3.43Å; D95-V138 HydrophobicContact CB-CG2 3.89Å; D95-P173 HydrophobicContact CB-CB 3.74Å; D95-P173 HydrophobicContact CB-CG 4.13Å
96	T	97.2	Very high	92.3	Very high	59 Å²	59	51 Å²	51	36%	0.362	27%	0.269	S	S	.	.			trans	-101.9	0.3	-173.6	60.7	0	0	0	0	114.2	L98 F99 D100 L106	T96-L98 VanDerWaalsContact C-N 3.3Å; T96-L98 PolarHBondContact O-N 2.89Å; T96-L98 VanDerWaalsContact O-N 3.13Å; T96-F99 WeakPolarHBondContact O-CA 3.35Å; T96-F99 WeakPolarHBondContact O-CB 3.28Å; T96-F99 PolarHBondContact O-N 3.29Å; T96-D100 PolarHBondContact O-N 3.07Å; T96-D100 VanDerWaalsContact O-N 3.08Å; T96-D100 PolarHBondContact OG1-OD2 2.94Å; T96-L106 HydrophobicContact CG2-CB 4.15Å; T96-L106 HydrophobicContact CG2-CD2 4.21Å
97	K	97.2	Very high	93.8	Very high	68 Å²	68	53.6 Å²	53.6	30%	0.296	28%	0.279	S	S	.	.	H	α-helix	trans	-52.6	-42.8	-169.5	-175.8	177.7	173.7	-167.8	0	113.4	D95 F99 D100 E101 S170 K171	D95-K97 WeakPolarHBondContact OD1-CB 3.34Å; D95-K97 PolarHBondContact OD1-N 3.19Å; K97-F99 VanDerWaalsContact C-N 3.27Å; K97-F99 PolarHBondContact O-N 3.45Å; K97-D100 PolarHBondContact O-N 2.89Å; K97-E101 VanDerWaalsContact O-CG 3.3Å; K97-E101 WeakPolarHBondContact O-CG 3.28Å; K97-E101 PolarHBondContact O-N 3.42Å; K97-S170 PolarHBondContact NZ-O 3.05Å; K97-K171 VanDerWaalsContact CD-O 3.24Å; K97-K171 WeakPolarHBondContact CD-O 3.29Å; K97-K171 WeakPolarHBondContact CE-O 3.5Å; K97-K171 PolarHBondContact NZ-O 2.74Å
98	L	97.7	Very high	94.9	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-67.3	-24.3	178.6	-64	-177.3	0	0	0	114.5	T96 Q102 M135 P173 F423 C426	T96-L98 VanDerWaalsContact C-N 3.3Å; T96-L98 PolarHBondContact O-N 2.89Å; T96-L98 VanDerWaalsContact O-N 3.13Å; L98-Q102 WeakPolarHBondContact O-CG 3.34Å; L98-Q102 PolarHBondContact O-NE2 3.23Å; L98-M135 HydrophobicContact CB-CE 4.2Å; L98-M135 HydrophobicContact CD1-CB 4.24Å; L98-M135 WeakPolarHBondContact CD1-O 3.36Å; L98-P173 HydrophobicContact CD1-CG 4.34Å; L98-P173 HydrophobicContact CG-CG 4.09Å; L98-F423 HydrophobicContact CB-CD2 3.87Å; L98-F423 HydrophobicContact CB-CE2 3.82Å; L98-F423 HydrophobicContact CD1-CB 3.84Å; L98-F423 HydrophobicContact CD1-CD2 3.89Å; L98-F423 HydrophobicContact CD1-CG 3.99Å; L98-F423 HydrophobicContact CD2-CD1 4.14Å; L98-F423 HydrophobicContact CD2-CD2 3.99Å; L98-F423 HydrophobicContact CD2-CE1 4.24Å; L98-F423 HydrophobicContact CD2-CE2 4.01Å; L98-F423 HydrophobicContact CD2-CG 4.02Å; L98-F423 HydrophobicContact CD2-CZ 4.16Å; L98-F423 HydrophobicContact CG-CD2 4.12Å; L98-F423 HydrophobicContact CG-CE2 4.34Å; L98-F423 HydrophobicContact CG-CG 4.44Å; L98-F423 WeakPolarHBondContact O-CE2 3.45Å; L98-C426 HydrophobicContact CD1-CB 3.98Å
99	F	97.1	Very high	95.4	Very high	0 Å²	0	55.3 Å²	55.3	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-78.4	-41.3	173.3	-58.5	-90.2	0	0	0	109.6	T96 K97 E101 Q102 D103 F104 L106 L132 M135 V256 F420	T96-F99 WeakPolarHBondContact O-CA 3.35Å; T96-F99 WeakPolarHBondContact O-CB 3.28Å; T96-F99 PolarHBondContact O-N 3.29Å; K97-F99 VanDerWaalsContact C-N 3.27Å; K97-F99 PolarHBondContact O-N 3.45Å; F99-E101 PolarHBondContact O-N 3.41Å; F99-Q102 CarbonylContact O-C 3.6Å; F99-Q102 PolarHBondContact O-N 3.16Å; F99-Q102 VanDerWaalsContact O-N 3.11Å; F99-D103 PolarHBondContact O-N 3.12Å; F99-F104 CarbonylContact C-O 3.42Å; F99-F104 HydrophobicContact CB-CB 4.3Å; F99-F104 PolarHBondContact O-N 3.12Å; F99-L106 HydrophobicContact CD1-CB 4.22Å; F99-L106 HydrophobicContact CD1-CD1 4.3Å; F99-L106 HydrophobicContact CD2-CB 4.04Å; F99-L106 HydrophobicContact CD2-CD2 4.04Å; F99-L106 HydrophobicContact CD2-CG 4.48Å; F99-L106 HydrophobicContact CE1-CB 4.47Å; F99-L106 HydrophobicContact CE1-CD1 3.75Å; F99-L106 HydrophobicContact CE2-CB 4.32Å; F99-L106 HydrophobicContact CE2-CD1 4.17Å; F99-L106 HydrophobicContact CE2-CD2 3.65Å; F99-L106 HydrophobicContact CE2-CG 4.27Å; F99-L106 HydrophobicContact CG-CB 3.99Å; F99-L106 HydrophobicContact CZ-CD1 3.68Å; F99-L106 HydrophobicContact CZ-CD2 4.01Å; F99-L106 HydrophobicContact CZ-CG 4.28Å; F99-L132 HydrophobicContact CE1-CD2 4.03Å; F99-L132 HydrophobicContact CZ-CB 4.47Å; F99-L132 HydrophobicContact CZ-CD2 4.28Å; F99-M135 HydrophobicContact CE1-CE 4.27Å; F99-M135 HydrophobicContact CE2-CB 4.42Å; F99-M135 HydrophobicContact CZ-CB 4.29Å; F99-M135 HydrophobicContact CZ-CE 4.15Å; F99-V256 HydrophobicContact CD1-CG1 4.02Å; F99-V256 HydrophobicContact CD1-CG2 4.13Å; F99-V256 HydrophobicContact CE1-CG2 3.85Å; F99-F420 HydrophobicContact CD1-CE2 4.2Å; F99-F420 HydrophobicContact CD1-CZ 4.22Å; F99-F420 HydrophobicContact CE1-CE2 4.25Å; F99-F420 AromaticContact CE1-CZ 3.85Å; F99-F420 HydrophobicContact CE1-CZ 3.85Å
100	D	95.6	Very high	95.8	Very high	61 Å²	61	56.3 Å²	56.3	33%	0.326	28%	0.28	S	S	.	.	H	α-helix	trans	-62.8	-41.8	177.5	-60.4	-41.3	0	0	0	111.8	T96 K97 Q102 D103 R259	T96-D100 PolarHBondContact O-N 3.07Å; T96-D100 VanDerWaalsContact O-N 3.08Å; T96-D100 PolarHBondContact OG1-OD2 2.94Å; K97-D100 PolarHBondContact O-N 2.89Å; D100-Q102 PolarHBondContact O-N 2.93Å; D100-Q102 VanDerWaalsContact O-N 3.1Å; D100-D103 PolarHBondContact O-N 3.46Å; D100-R259 IonicContact OD1-CZ 2.58Å; D100-R259 IonicContact OD1-NE 2.64Å; D100-R259 IonicContact OD1-NH2 2.69Å; D100-R259 PolarHBondContact OD1-NH2 3.21Å
101	E	94.8	Very high	96	Very high	87 Å²	87	57.1 Å²	57.1	41%	0.407	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-19.5	174.2	-73.7	-68.2	152.6	0	0	114	K97 F99 K171	K97-E101 VanDerWaalsContact O-CG 3.3Å; K97-E101 WeakPolarHBondContact O-CG 3.28Å; K97-E101 PolarHBondContact O-N 3.42Å; F99-E101 PolarHBondContact O-N 3.41Å; E101-K171 HydrophobicContact CG-CB 4.46Å; E101-K171 HydrophobicContact CG-CD 4.32Å; E101-K171 WeakPolarHBondContact OE2-CD 3.41Å; E101-K171 VanDerWaalsContact OE2-CE 3.31Å; E101-K171 WeakPolarHBondContact OE2-CE 3.47Å; E101-K171 IonicContact OE2-NZ 2.78Å; E101-K171 PolarHBondContact OE2-NZ 3.37Å
102	Q	94.7	Very high	95.9	Very high	41 Å²	41	54.8 Å²	54.8	19%	0.192	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-110.1	11.4	179.4	-64.3	-173.9	95.7	0	0	112.7	L98 F99 D100 F104 N421 F423	L98-Q102 WeakPolarHBondContact O-CG 3.34Å; L98-Q102 PolarHBondContact O-NE2 3.23Å; F99-Q102 CarbonylContact O-C 3.6Å; F99-Q102 PolarHBondContact O-N 3.16Å; F99-Q102 VanDerWaalsContact O-N 3.11Å; D100-Q102 PolarHBondContact O-N 2.93Å; D100-Q102 VanDerWaalsContact O-N 3.1Å; Q102-F104 HydrophobicContact CB-CD2 3.6Å; Q102-F104 HydrophobicContact CB-CE2 3.97Å; Q102-F104 WeakPolarHBondContact O-CD2 3.32Å; Q102-F104 VanDerWaalsContact O-CE2 3.23Å; Q102-F104 WeakPolarHBondContact O-CE2 3.43Å; Q102-N421 PolarHBondContact NE2-O 3.41Å; Q102-F423 VanDerWaalsContact CD-CE2 3.5Å; Q102-F423 HydrophobicContact CG-CE2 3.84Å; Q102-F423 HydrophobicContact CG-CZ 3.93Å
103	D	94.9	Very high	95.7	Very high	86 Å²	86	60.6 Å²	60.6	46%	0.46	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	62.9	34.7	-177.3	-161.1	44.1	0	0	0	114.7	F99 D100 R259	F99-D103 PolarHBondContact O-N 3.12Å; D100-D103 PolarHBondContact O-N 3.46Å; D103-R259 WeakPolarHBondContact O-CB 3.22Å; D103-R259 WeakPolarHBondContact O-CG 3.46Å; D103-R259 PolarHBondContact O-N 3.19Å; D103-R259 VanDerWaalsContact OD1-CB 3.3Å; D103-R259 WeakPolarHBondContact OD1-CB 3.48Å; D103-R259 WeakPolarHBondContact OD1-CD 3.36Å
104	F	95.9	Very high	95.3	Very high	17 Å²	17	64.2 Å²	64.2	8%	0.075	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	161.5	175.9	-65.9	-77.8	0	0	0	113	F99 Q102 V256 Q257 P258 R259 T417 F420	F99-F104 CarbonylContact C-O 3.42Å; F99-F104 HydrophobicContact CB-CB 4.3Å; F99-F104 PolarHBondContact O-N 3.12Å; Q102-F104 HydrophobicContact CB-CD2 3.6Å; Q102-F104 HydrophobicContact CB-CE2 3.97Å; Q102-F104 WeakPolarHBondContact O-CD2 3.32Å; Q102-F104 VanDerWaalsContact O-CE2 3.23Å; Q102-F104 WeakPolarHBondContact O-CE2 3.43Å; F104-V256 HydrophobicContact CB-CG1 3.44Å; F104-V256 VanDerWaalsContact CB-CG1 3.44Å; F104-V256 HydrophobicContact CD1-CG1 3.66Å; F104-V256 HydrophobicContact CD2-CG1 4.4Å; F104-V256 HydrophobicContact CG-CG1 3.59Å; F104-Q257 CarbonylContact C-O 3.48Å; F104-Q257 WeakPolarHBondContact CA-O 3.28Å; F104-P258 HydrophobicContact CD1-CB 4.18Å; F104-P258 HydrophobicContact CD1-CG 4.22Å; F104-P258 HydrophobicContact CE1-CB 4.05Å; F104-P258 HydrophobicContact CE1-CG 3.91Å; F104-R259 PolarHBondContact O-NE 3.21Å; F104-T417 HydrophobicContact CE1-CG2 4Å; F104-T417 HydrophobicContact CZ-CG2 3.85Å; F104-F420 HydrophobicContact CD2-CD2 4.3Å; F104-F420 HydrophobicContact CD2-CE2 4.47Å; F104-F420 HydrophobicContact CE2-CD2 4.17Å
105	I	96.5	Very high	95	Very high	57 Å²	57	62 Å²	62	29%	0.292	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	121.7	170.7	-60.9	166.6	0	0	0	107.8	K107 Q257 R259	I105-K107 HydrophobicContact CG2-CD 4.31Å; I105-K107 PolarHBondContact O-N 2.94Å; I105-Q257 HydrophobicContact CB-CB 4.5Å; I105-Q257 PolarHBondContact N-O 3.24Å; I105-Q257 PolarHBondContact O-N 3.5Å; I105-R259 HydrophobicContact CD1-CG 3.95Å; I105-R259 HydrophobicContact CG1-CG 3.69Å
106	L	97.4	Very high	94.7	Very high	19 Å²	19	60.9 Å²	60.9	10%	0.099	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	119.2	173.3	-178.9	56.8	0	0	0	110.9	I94 T96 F99 K108 F110 V256	I94-L106 HydrophobicContact CG2-CD2 4.03Å; T96-L106 HydrophobicContact CG2-CB 4.15Å; T96-L106 HydrophobicContact CG2-CD2 4.21Å; F99-L106 HydrophobicContact CD1-CB 4.22Å; F99-L106 HydrophobicContact CD1-CD1 4.3Å; F99-L106 HydrophobicContact CD2-CB 4.04Å; F99-L106 HydrophobicContact CD2-CD2 4.04Å; F99-L106 HydrophobicContact CD2-CG 4.48Å; F99-L106 HydrophobicContact CE1-CB 4.47Å; F99-L106 HydrophobicContact CE1-CD1 3.75Å; F99-L106 HydrophobicContact CE2-CB 4.32Å; F99-L106 HydrophobicContact CE2-CD1 4.17Å; F99-L106 HydrophobicContact CE2-CD2 3.65Å; F99-L106 HydrophobicContact CE2-CG 4.27Å; F99-L106 HydrophobicContact CG-CB 3.99Å; F99-L106 HydrophobicContact CZ-CD1 3.68Å; F99-L106 HydrophobicContact CZ-CD2 4.01Å; F99-L106 HydrophobicContact CZ-CG 4.28Å; L106-K108 HydrophobicContact CD1-CB 4.17Å; L106-F110 HydrophobicContact CD1-CE2 4.33Å; L106-F110 HydrophobicContact CD2-CE2 4.02Å; L106-V256 HydrophobicContact CD1-CG2 4.48Å
107	K	97	Very high	94.6	Very high	86 Å²	86	58 Å²	58	37%	0.374	28%	0.284	S	S	.	.			trans	-103.7	-35	177.8	-65.5	-59.6	-167.7	-178.8	0	112.9	I105 K109 S254 D255 Q257	I105-K107 HydrophobicContact CG2-CD 4.31Å; I105-K107 PolarHBondContact O-N 2.94Å; K107-K109 PolarHBondContact O-N 2.75Å; K107-S254 WeakPolarHBondContact CB-O 3.4Å; K107-D255 WeakPolarHBondContact CA-O 3.09Å; K107-D255 WeakPolarHBondContact CB-O 3.29Å; K107-D255 PolarHBondContact N-O 3.28Å; K107-Q257 HydrophobicContact CD-CB 4.44Å; K107-Q257 HydrophobicContact CG-CB 3.9Å
108	K	96.1	Very high	94.4	Very high	47 Å²	47	54.8 Å²	54.8	20%	0.204	27%	0.27	C	S	.	.			trans	-51.9	128.4	177.3	-175.1	169.6	-178.7	178.4	0	109.5	L106 F110 D129 L132 D255	L106-K108 HydrophobicContact CD1-CB 4.17Å; K108-F110 HydrophobicContact CB-CZ 4.27Å; K108-F110 HydrophobicContact CD-CE1 3.76Å; K108-F110 HydrophobicContact CD-CZ 3.98Å; K108-F110 HydrophobicContact CG-CE1 3.95Å; K108-F110 HydrophobicContact CG-CZ 3.96Å; K108-D129 PolarHBondContact NZ-O 3Å; K108-D129 VanDerWaalsContact NZ-O 3.17Å; K108-L132 HydrophobicContact CD-CB 4.5Å; K108-L132 HydrophobicContact CD-CD1 4.04Å; K108-D255 HydrophobicContact CB-CB 4.21Å; K108-D255 PolarHBondContact N-O 3.38Å
109	K	95.2	Very high	94.1	Very high	187 Å²	187	54.9 Å²	54.9	81%	0.813	27%	0.27	S	S	*	.			trans	-97.5	138.4	174.7	-60.1	-57.9	-178	-176.6	0	108.9	K107	K107-K109 PolarHBondContact O-N 2.75Å
110	F	94.3	Very high	93.7	Very high	35 Å²	35	55.8 Å²	55.8	15%	0.154	27%	0.274	C	S	.	.			trans	-110.5	131.8	179.7	-59.2	-75.9	0	0	0	109.5	I94 L106 K108 M112 L115 L132 A133	I94-F110 HydrophobicContact CD1-CB 4.3Å; I94-F110 HydrophobicContact CD1-CD2 3.88Å; I94-F110 HydrophobicContact CD1-CG 4.27Å; I94-F110 HydrophobicContact CG1-CD2 4.15Å; I94-F110 HydrophobicContact CG2-CD2 4.21Å; I94-F110 HydrophobicContact CG2-CE2 4.43Å; L106-F110 HydrophobicContact CD1-CE2 4.33Å; L106-F110 HydrophobicContact CD2-CE2 4.02Å; K108-F110 HydrophobicContact CB-CZ 4.27Å; K108-F110 HydrophobicContact CD-CE1 3.76Å; K108-F110 HydrophobicContact CD-CZ 3.98Å; K108-F110 HydrophobicContact CG-CE1 3.95Å; K108-F110 HydrophobicContact CG-CZ 3.96Å; F110-M112 PolarHBondContact O-N 3.44Å; F110-L115 HydrophobicContact CB-CD1 3.92Å; F110-L115 HydrophobicContact CD1-CD1 3.99Å; F110-L115 HydrophobicContact CG-CD1 4.21Å; F110-L132 HydrophobicContact CE1-CB 4.48Å; F110-L132 HydrophobicContact CZ-CB 3.94Å; F110-A133 HydrophobicContact CD1-CB 3.89Å; F110-A133 HydrophobicContact CE1-CB 3.59Å; F110-A133 HydrophobicContact CZ-CB 4.28Å
111	N	93	Very high	93.3	Very high	99 Å²	99	54.5 Å²	54.5	53%	0.529	27%	0.266	S	S	.	.			trans	-80.4	102.3	170.3	-179.1	-5.8	0	0	0	108.5	N113 N114 L115	N111-N113 PolarHBondContact O-N 3.34Å; N111-N113 WeakPolarHBondContact OD1-CB 3.19Å; N111-N113 PolarHBondContact OD1-N 3.3Å; N111-N113 VanDerWaalsContact OD1-N 3.09Å; N111-N114 CarbonylContact O-C 3.55Å; N111-N114 PolarHBondContact O-N 2.79Å; N111-L115 PolarHBondContact O-N 2.96Å
112	M	91.8	Very high	92.9	Very high	41 Å²	41	52.3 Å²	52.3	20%	0.202	26%	0.258	C	S	.	.	G	3₁₀ helix	trans	-61.5	-25.7	-177.3	-62.7	-56.5	-66.3	0	0	113.6	H90 G92 I94 F110 N114 L115 Y137	H90-M112 WeakPolarHBondContact CA-O 3.19Å; H90-M112 HydrophobicContact CB-CB 4.48Å; H90-M112 WeakPolarHBondContact CB-O 3.48Å; G92-M112 WeakPolarHBondContact O-CE 3.44Å; I94-M112 HydrophobicContact CD1-CE 4.38Å; I94-M112 HydrophobicContact CD1-SD 3.75Å; I94-M112 HydrophobicContact CG1-CE 4.47Å; I94-M112 HydrophobicContact CG1-SD 3.66Å; F110-M112 PolarHBondContact O-N 3.44Å; M112-N114 VanDerWaalsContact C-N 3.28Å; M112-N114 PolarHBondContact O-N 2.78Å; M112-L115 HydrophobicContact CE-CD2 4.08Å; M112-L115 HydrophobicContact SD-CD2 4.04Å; M112-Y137 HydrophobicContact CE-CD2 4.05Å; M112-Y137 HydrophobicContact CE-CE2 3.75Å
113	N	90.4	Very high	92.4	Very high	132 Å²	132	57.6 Å²	57.6	71%	0.706	29%	0.288	S	S	*	.	G	3₁₀ helix	trans	-76.3	-17.7	176.5	-65.4	-27.1	0	0	0	112.9	N111	N111-N113 PolarHBondContact O-N 3.34Å; N111-N113 WeakPolarHBondContact OD1-CB 3.19Å; N111-N113 PolarHBondContact OD1-N 3.3Å; N111-N113 VanDerWaalsContact OD1-N 3.09Å
114	N	88.7	Confident	92.1	Very high	116 Å²	116	55.1 Å²	55.1	62%	0.62	28%	0.275	S	S	*	.	G	3₁₀ helix	trans	-137	45.9	178.9	-167.3	35.1	0	0	0	110.6	N111 M112 I116	N111-N114 CarbonylContact O-C 3.55Å; N111-N114 PolarHBondContact O-N 2.79Å; M112-N114 VanDerWaalsContact C-N 3.28Å; M112-N114 PolarHBondContact O-N 2.78Å; N114-I116 PolarHBondContact O-N 3.26Å
115	L	92.2	Very high	91.8	Very high	13 Å²	13	54.8 Å²	54.8	7%	0.068	27%	0.274	C	S	.	.			trans	-82.3	109.4	-178.4	-176	60.9	0	0	0	110	R89 I94 F110 N111 M112 L117 A133 Y137	R89-L115 PolarHBondContact NH1-O 3.26Å; I94-L115 HydrophobicContact CD1-CD2 4.47Å; F110-L115 HydrophobicContact CB-CD1 3.92Å; F110-L115 HydrophobicContact CD1-CD1 3.99Å; F110-L115 HydrophobicContact CG-CD1 4.21Å; N111-L115 PolarHBondContact O-N 2.96Å; M112-L115 HydrophobicContact CE-CD2 4.08Å; M112-L115 HydrophobicContact SD-CD2 4.04Å; L115-L117 HydrophobicContact CD2-CD2 4.07Å; L115-L117 HydrophobicContact CD2-CG 4.41Å; L115-L117 HydrophobicContact CG-CD2 4.04Å; L115-L117 HydrophobicContact CG-CG 4.24Å; L115-A133 HydrophobicContact CD1-CB 3.87Å; L115-Y137 HydrophobicContact CD2-CD2 3.4Å; L115-Y137 VanDerWaalsContact CD2-CD2 3.4Å; L115-Y137 HydrophobicContact CD2-CE2 3.8Å; L115-Y137 HydrophobicContact CD2-CG 4.08Å
116	I	91.7	Very high	91.4	Very high	27 Å²	27	53.3 Å²	53.3	14%	0.138	27%	0.265	C	S	.	.			trans	-85.2	121	172.9	-63.7	161	0	0	0	108.2	N114 E121 T122 D128 R130	N114-I116 PolarHBondContact O-N 3.26Å; I116-E121 HydrophobicContact CG2-CB 4.35Å; I116-T122 HydrophobicContact CG2-CG2 4.14Å; I116-D128 WeakPolarHBondContact CB-OD2 3.48Å; I116-D128 VanDerWaalsContact CG2-OD2 3.31Å; I116-D128 WeakPolarHBondContact CG2-OD2 3.24Å; I116-R130 HydrophobicContact CG2-CG 3.97Å
117	L	94	Very high	90.8	Very high	0 Å²	0	60 Å²	60	0%	0	30%	0.296	C	S	.	.			trans	-110.1	-33.1	174.3	-65.2	178.5	0	0	0	110.8	L115 E121 R130 A133 Q134 Y137 M430 E434	L115-L117 HydrophobicContact CD2-CD2 4.07Å; L115-L117 HydrophobicContact CD2-CG 4.41Å; L115-L117 HydrophobicContact CG-CD2 4.04Å; L115-L117 HydrophobicContact CG-CG 4.24Å; L117-E121 PolarHBondContact N-OE2 2.89Å; L117-R130 WeakPolarHBondContact O-CD 3.18Å; L117-R130 PolarHBondContact O-NE 2.92Å; L117-A133 HydrophobicContact CD2-CB 3.93Å; L117-Q134 HydrophobicContact CB-CG 4.47Å; L117-Q134 HydrophobicContact CD2-CG 4.24Å; L117-Q134 PolarHBondContact O-NE2 2.95Å; L117-Y137 HydrophobicContact CD1-CD1 3.4Å; L117-Y137 VanDerWaalsContact CD1-CD1 3.4Å; L117-Y137 HydrophobicContact CD1-CE1 3.7Å; L117-Y137 HydrophobicContact CD1-CG 3.91Å; L117-Y137 HydrophobicContact CD2-CD1 4.48Å; L117-Y137 HydrophobicContact CD2-CG 4.25Å; L117-M430 HydrophobicContact CD1-SD 4.25Å; L117-E434 HydrophobicContact CD1-CG 4.44Å
118	F	93.5	Very high	89.9	Confident	0 Å²	0	57.9 Å²	57.9	0%	0	29%	0.289	C	S	.	.	S	Bend	trans	-124.3	153.2	-172.4	-55.1	-57.1	0	0	0	112.7	F120 E121 T242 I243 M430 L431 E434 M438	F118-F120 HydrophobicContact CB-CD1 4.07Å; F118-F120 HydrophobicContact CB-CD2 4.19Å; F118-F120 HydrophobicContact CB-CE1 3.55Å; F118-F120 HydrophobicContact CB-CE2 3.67Å; F118-F120 HydrophobicContact CB-CG 4.37Å; F118-F120 HydrophobicContact CB-CZ 3.32Å; F118-F120 HydrophobicContact CD2-CE2 4.09Å; F118-F120 AromaticContact CD2-CZ 3.7Å; F118-F120 HydrophobicContact CD2-CZ 3.7Å; F118-F120 HydrophobicContact CG-CE1 4.14Å; F118-F120 HydrophobicContact CG-CE2 4.26Å; F118-F120 AromaticContact CG-CZ 3.68Å; F118-F120 HydrophobicContact CG-CZ 3.68Å; F118-F120 PolarHBondContact O-N 2.87Å; F118-F120 VanDerWaalsContact O-N 3.15Å; F118-E121 HydrophobicContact CB-CG 4.01Å; F118-E121 WeakPolarHBondContact CD2-OE1 3.18Å; F118-E121 PolarHBondContact N-OE2 3.3Å; F118-E121 WeakPolarHBondContact O-CB 3.45Å; F118-E121 WeakPolarHBondContact O-CG 3.13Å; F118-E121 PolarHBondContact O-N 2.83Å; F118-E121 VanDerWaalsContact O-N 3.13Å; F118-T242 HydrophobicContact CD1-CG2 3.59Å; F118-T242 HydrophobicContact CE1-CG2 4.03Å; F118-T242 HydrophobicContact CG-CG2 4.3Å; F118-I243 HydrophobicContact CE1-CD1 4.26Å; F118-M430 HydrophobicContact CE1-CE 4.19Å; F118-M430 HydrophobicContact CZ-CE 4.14Å; F118-M430 HydrophobicContact CZ-SD 4.16Å; F118-L431 HydrophobicContact CD1-CD1 4.47Å; F118-L431 HydrophobicContact CE1-CB 4.43Å; F118-L431 HydrophobicContact CE1-CD1 3.69Å; F118-L431 HydrophobicContact CE2-CD1 4.31Å; F118-L431 HydrophobicContact CZ-CB 4.44Å; F118-L431 HydrophobicContact CZ-CD1 3.6Å; F118-E434 HydrophobicContact CE2-CB 3.89Å; F118-E434 HydrophobicContact CE2-CG 4.17Å; F118-E434 HydrophobicContact CZ-CB 3.96Å; F118-E434 HydrophobicContact CZ-CG 4.19Å; F118-M438 HydrophobicContact CD2-CE 4.25Å; F118-M438 HydrophobicContact CE2-CE 4.09Å
119	P	91.6	Very high	89.5	Confident	1 Å²	1	58.1 Å²	58.1	1%	0.006	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-16.4	-173.3	27.6	-36.6	0	0	0	114.1	E121 P125 D240 S241	P119-E121 VanDerWaalsContact C-N 3.3Å; P119-P125 HydrophobicContact CB-CB 3.81Å; P119-D240 VanDerWaalsContact CG-O 3.29Å; P119-D240 WeakPolarHBondContact CG-O 3.31Å; P119-S241 WeakPolarHBondContact CG-O 3.47Å
120	F	88.1	Confident	89.4	Confident	19 Å²	19	49.4 Å²	49.4	8%	0.083	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.5	3.5	178.6	50.7	-106.9	0	0	0	113	V83 F118 F233 T242 M438 Y442	V83-F120 HydrophobicContact CB-CD2 3.97Å; V83-F120 HydrophobicContact CB-CE2 4.26Å; V83-F120 HydrophobicContact CG1-CD2 4.31Å; V83-F120 HydrophobicContact CG1-CE2 4.09Å; V83-F120 HydrophobicContact CG2-CD2 4.1Å; F118-F120 HydrophobicContact CB-CD1 4.07Å; F118-F120 HydrophobicContact CB-CD2 4.19Å; F118-F120 HydrophobicContact CB-CE1 3.55Å; F118-F120 HydrophobicContact CB-CE2 3.67Å; F118-F120 HydrophobicContact CB-CG 4.37Å; F118-F120 HydrophobicContact CB-CZ 3.32Å; F118-F120 HydrophobicContact CD2-CE2 4.09Å; F118-F120 AromaticContact CD2-CZ 3.7Å; F118-F120 HydrophobicContact CD2-CZ 3.7Å; F118-F120 HydrophobicContact CG-CE1 4.14Å; F118-F120 HydrophobicContact CG-CE2 4.26Å; F118-F120 AromaticContact CG-CZ 3.68Å; F118-F120 HydrophobicContact CG-CZ 3.68Å; F118-F120 PolarHBondContact O-N 2.87Å; F118-F120 VanDerWaalsContact O-N 3.15Å; F120-F233 HydrophobicContact CE1-CE1 4.32Å; F120-T242 HydrophobicContact CE1-CG2 4.44Å; F120-M438 HydrophobicContact CZ-CE 3.86Å; F120-M438 HydrophobicContact CZ-SD 4.37Å; F120-Y442 HydrophobicContact CB-CE2 3.95Å; F120-Y442 HydrophobicContact CD1-CD1 4.23Å; F120-Y442 HydrophobicContact CD1-CD2 4.11Å; F120-Y442 AromaticContact CD1-CE1 3.79Å; F120-Y442 HydrophobicContact CD1-CE1 3.79Å; F120-Y442 AromaticContact CD1-CE2 3.65Å; F120-Y442 HydrophobicContact CD1-CE2 3.65Å; F120-Y442 HydrophobicContact CD1-CG 4.38Å; F120-Y442 AromaticContact CD1-CZ 3.47Å; F120-Y442 VanDerWaalsContact CD1-CZ 3.47Å; F120-Y442 HydrophobicContact CE1-CD1 4.03Å; F120-Y442 HydrophobicContact CE1-CD2 4.48Å; F120-Y442 AromaticContact CE1-CE1 3.9Å; F120-Y442 HydrophobicContact CE1-CE1 3.9Å; F120-Y442 HydrophobicContact CE1-CE2 4.36Å; F120-Y442 HydrophobicContact CE1-CG 4.32Å; F120-Y442 HydrophobicContact CG-CD2 4.31Å; F120-Y442 AromaticContact CG-CE2 3.92Å; F120-Y442 HydrophobicContact CG-CE2 3.92Å
121	E	87.3	Confident	89.6	Confident	34 Å²	34	48.1 Å²	48.1	16%	0.159	25%	0.249	C	C	.	.	S	Bend	trans	-100.1	0.4	179.8	-51.4	-177.3	150.6	0	0	112	I85 R89 I116 L117 F118 P119	I85-E121 HydrophobicContact CD1-CB 3.71Å; I85-E121 HydrophobicContact CD1-CG 3.47Å; I85-E121 VanDerWaalsContact CD1-CG 3.47Å; I85-E121 WeakPolarHBondContact CD1-OE1 3.42Å; I85-E121 HydrophobicContact CG1-CG 4.08Å; I85-E121 WeakPolarHBondContact CG1-OE1 3.48Å; R89-E121 IonicContact CZ-OE1 3.59Å; R89-E121 VanDerWaalsContact CZ-OE1 3.29Å; R89-E121 IonicContact NH1-OE1 2.68Å; R89-E121 PolarHBondContact NH1-OE1 3.48Å; R89-E121 IonicContact NH1-OE2 2.95Å; R89-E121 PolarHBondContact NH1-OE2 2.98Å; R89-E121 IonicContact NH2-OE1 2.66Å; R89-E121 PolarHBondContact NH2-OE1 3.08Å; I116-E121 HydrophobicContact CG2-CB 4.35Å; L117-E121 PolarHBondContact N-OE2 2.89Å; F118-E121 HydrophobicContact CB-CG 4.01Å; F118-E121 WeakPolarHBondContact CD2-OE1 3.18Å; F118-E121 PolarHBondContact N-OE2 3.3Å; F118-E121 WeakPolarHBondContact O-CB 3.45Å; F118-E121 WeakPolarHBondContact O-CG 3.13Å; F118-E121 PolarHBondContact O-N 2.83Å; F118-E121 VanDerWaalsContact O-N 3.13Å; P119-E121 VanDerWaalsContact C-N 3.3Å
122	T	86.8	Confident	89.8	Confident	41 Å²	41	43.4 Å²	43.4	25%	0.252	22%	0.224	S	C	.	.	S	Bend	trans	-139.5	148.6	-179.4	176.5	0	0	0	0	110.1	I116 N124 P125	I116-T122 HydrophobicContact CG2-CG2 4.14Å; T122-N124 VanDerWaalsContact C-N 3.26Å; T122-N124 PolarHBondContact OG1-N 3.1Å; T122-N124 PolarHBondContact OG1-O 3.11Å; T122-P125 HydrophobicContact CG2-CB 4.26Å
123	D	84.7	Confident	90	Very high	152 Å²	152	41.6 Å²	41.6	81%	0.813	22%	0.215	S	C	*	.	S	Bend	trans	-70.7	-25.2	172.5	-72.3	-45.6	0	0	0	112.1
124	N	88.4	Confident	90.4	Very high	35 Å²	35	35.4 Å²	35.4	19%	0.187	18%	0.182	C	C	.	.			trans	-130.2	93.6	178.3	-167.1	-6.1	0	0	0	112.1	T122 Y126 E127	T122-N124 VanDerWaalsContact C-N 3.26Å; T122-N124 PolarHBondContact OG1-N 3.1Å; T122-N124 PolarHBondContact OG1-O 3.11Å; N124-Y126 PolarHBondContact O-N 3.35Å; N124-Y126 VanDerWaalsContact O-N 3.17Å; N124-Y126 WeakPolarHBondContact OD1-CB 3.4Å; N124-Y126 PolarHBondContact OD1-N 2.94Å; N124-E127 HydrophobicContact CB-CG 4.5Å; N124-E127 VanDerWaalsContact ND2-CG 3.35Å; N124-E127 WeakPolarHBondContact ND2-CG 3.38Å; N124-E127 PolarHBondContact ND2-OE1 2.96Å; N124-E127 PolarHBondContact O-N 3.09Å
125	P	88.9	Confident	90.8	Very high	9 Å²	9	30.1 Å²	30.1	6%	0.058	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-9.4	177.5	28.3	-35.2	0	0	0	114	P119 T122 V239 D240	P119-P125 HydrophobicContact CB-CB 3.81Å; T122-P125 HydrophobicContact CG2-CB 4.26Å; P125-V239 WeakPolarHBondContact O-CG1 3.29Å; P125-D240 HydrophobicContact CB-CB 4.43Å; P125-D240 HydrophobicContact CG-CB 4.01Å
126	Y	88.5	Confident	91.1	Very high	26 Å²	26	29.5 Å²	29.5	10%	0.102	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.5	-14.5	-179	-58.5	-83.7	0	0	0	113.8	Y72 N124 V239 Q343 R373	Y72-Y126 HydrophobicContact CD1-CD1 4.22Å; Y72-Y126 AromaticContact CD1-CD2 3.89Å; Y72-Y126 HydrophobicContact CD1-CD2 3.89Å; Y72-Y126 HydrophobicContact CD1-CE1 4.41Å; Y72-Y126 HydrophobicContact CD1-CE2 4.11Å; Y72-Y126 AromaticContact CD1-CG 3.97Å; Y72-Y126 HydrophobicContact CD1-CG 3.97Å; Y72-Y126 AromaticContact CE1-CD1 3.8Å; Y72-Y126 HydrophobicContact CE1-CD1 3.8Å; Y72-Y126 AromaticContact CE1-CD2 3.84Å; Y72-Y126 HydrophobicContact CE1-CD2 3.84Å; Y72-Y126 HydrophobicContact CE1-CE1 4.41Å; Y72-Y126 HydrophobicContact CE1-CE2 4.46Å; Y72-Y126 AromaticContact CE1-CG 3.48Å; Y72-Y126 HydrophobicContact CE1-CG 3.48Å; Y72-Y126 VanDerWaalsContact CE1-CG 3.48Å; Y72-Y126 HydrophobicContact CG-CD2 4.35Å; Y72-Y126 AromaticContact CZ-CG 3.93Å; Y72-Y126 WeakPolarHBondContact OH-CB 3.45Å; N124-Y126 PolarHBondContact O-N 3.35Å; N124-Y126 VanDerWaalsContact O-N 3.17Å; N124-Y126 WeakPolarHBondContact OD1-CB 3.4Å; N124-Y126 PolarHBondContact OD1-N 2.94Å; Y126-V239 HydrophobicContact CD1-CB 3.82Å; Y126-V239 HydrophobicContact CD1-CG1 3.68Å; Y126-V239 HydrophobicContact CD1-CG2 4.48Å; Y126-V239 HydrophobicContact CE1-CB 3.82Å; Y126-V239 HydrophobicContact CE1-CG1 4.13Å; Y126-V239 HydrophobicContact CG-CG1 4.34Å; Y126-Q343 VanDerWaalsContact CE1-NE2 3.3Å; Y126-Q343 PolarHBondContact OH-NE2 3.23Å; Y126-R373 WeakPolarHBondContact O-CD 3.48Å
127	E	84.6	Confident	91.4	Very high	160 Å²	160	28.3 Å²	28.3	75%	0.748	14%	0.144	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.5	-20.7	175.6	-81.1	173.3	-153.9	0	0	113.1	N124	N124-E127 HydrophobicContact CB-CG 4.5Å; N124-E127 VanDerWaalsContact ND2-CG 3.35Å; N124-E127 WeakPolarHBondContact ND2-CG 3.38Å; N124-E127 PolarHBondContact ND2-OE1 2.96Å; N124-E127 PolarHBondContact O-N 3.09Å
128	D	78.5	Confident	91.6	Very high	42 Å²	42	28.3 Å²	28.3	23%	0.225	14%	0.144	C	C	.	.			trans	-113.5	113.2	-179	-172.7	18.1	0	0	0	113	I116 R130	I116-D128 WeakPolarHBondContact CB-OD2 3.48Å; I116-D128 VanDerWaalsContact CG2-OD2 3.31Å; I116-D128 WeakPolarHBondContact CG2-OD2 3.24Å; D128-R130 HydrophobicContact CB-CG 4.5Å; D128-R130 WeakPolarHBondContact O-CG 3.44Å; D128-R130 PolarHBondContact O-N 3.41Å
129	D	86.5	Confident	91.7	Very high	51 Å²	51	28.3 Å²	28.3	27%	0.273	14%	0.144	S	C	.	.			trans	-77.8	88.3	168.3	176.7	22.5	0	0	0	111	K108 I131 K249	K108-D129 PolarHBondContact NZ-O 3Å; K108-D129 VanDerWaalsContact NZ-O 3.17Å; D129-I131 VanDerWaalsContact C-N 3.25Å; D129-I131 PolarHBondContact O-N 2.78Å; D129-I131 WeakPolarHBondContact OD1-CB 3.37Å; D129-I131 PolarHBondContact OD1-N 3.03Å; D129-K249 IonicContact OD1-NZ 3.07Å; D129-K249 PolarHBondContact OD1-NZ 3.48Å; D129-K249 IonicContact OD2-NZ 3.75Å; D129-K249 PolarHBondContact OD2-NZ 3.3Å
130	R	94.4	Very high	91.9	Very high	4 Å²	4	28.6 Å²	28.6	2%	0.015	15%	0.146	C	C	.	.			trans	-71.3	-13.7	-179.6	-48.2	-178.8	-54.4	-91.3	-4.7	113.8	I116 L117 D128 L132 A133 Q134 V239 S241	I116-R130 HydrophobicContact CG2-CG 3.97Å; L117-R130 WeakPolarHBondContact O-CD 3.18Å; L117-R130 PolarHBondContact O-NE 2.92Å; D128-R130 HydrophobicContact CB-CG 4.5Å; D128-R130 WeakPolarHBondContact O-CG 3.44Å; D128-R130 PolarHBondContact O-N 3.41Å; R130-L132 PolarHBondContact O-N 3.06Å; R130-A133 WeakPolarHBondContact O-CB 3.49Å; R130-A133 PolarHBondContact O-N 3.38Å; R130-Q134 HydrophobicContact CB-CG 4.48Å; R130-Q134 WeakPolarHBondContact O-CB 3.21Å; R130-Q134 VanDerWaalsContact O-CG 3.32Å; R130-Q134 WeakPolarHBondContact O-CG 2.94Å; R130-Q134 PolarHBondContact O-N 3.37Å; R130-V239 PolarHBondContact NH1-O 3.21Å; R130-V239 PolarHBondContact NH2-O 3.09Å; R130-S241 PolarHBondContact NH2-O 2.97Å
131	I	97.5	Very high	92.3	Very high	8 Å²	8	29 Å²	29	4%	0.041	15%	0.148	C	C	.	.	H	α-helix	trans	-58.4	-48.6	-172.3	-63.9	176.5	0	0	0	110.6	D129 A133 Q134 M135 V244 P246 K249 T422	D129-I131 VanDerWaalsContact C-N 3.25Å; D129-I131 PolarHBondContact O-N 2.78Å; D129-I131 WeakPolarHBondContact OD1-CB 3.37Å; D129-I131 PolarHBondContact OD1-N 3.03Å; I131-A133 VanDerWaalsContact C-N 3.32Å; I131-A133 PolarHBondContact O-N 2.58Å; I131-Q134 PolarHBondContact O-N 3.04Å; I131-M135 HydrophobicContact CG2-CG 4.29Å; I131-M135 HydrophobicContact CG2-SD 3.79Å; I131-M135 WeakPolarHBondContact O-CB 3.23Å; I131-M135 VanDerWaalsContact O-CG 3.23Å; I131-M135 WeakPolarHBondContact O-CG 3.48Å; I131-M135 PolarHBondContact O-N 3.49Å; I131-V244 HydrophobicContact CD1-CB 4.15Å; I131-V244 HydrophobicContact CD1-CG1 4.32Å; I131-V244 HydrophobicContact CG1-CB 4.21Å; I131-P246 HydrophobicContact CD1-CG 4.25Å; I131-K249 HydrophobicContact CB-CD 4.24Å; I131-K249 HydrophobicContact CD1-CD 3.9Å; I131-K249 HydrophobicContact CG2-CD 3.86Å; I131-T422 HydrophobicContact CG2-CG2 3.97Å
132	L	97.4	Very high	92.7	Very high	1 Å²	1	27.6 Å²	27.6	1%	0.005	14%	0.142	C	C	.	.	H	α-helix	trans	-65.1	-37.8	-178.6	-56.7	-171	0	0	0	112	F99 K108 F110 R130 M135 S136 V251 D255 V256 F420	F99-L132 HydrophobicContact CE1-CD2 4.03Å; F99-L132 HydrophobicContact CZ-CB 4.47Å; F99-L132 HydrophobicContact CZ-CD2 4.28Å; K108-L132 HydrophobicContact CD-CB 4.5Å; K108-L132 HydrophobicContact CD-CD1 4.04Å; F110-L132 HydrophobicContact CE1-CB 4.48Å; F110-L132 HydrophobicContact CZ-CB 3.94Å; R130-L132 PolarHBondContact O-N 3.06Å; L132-M135 HydrophobicContact CD2-SD 4.27Å; L132-M135 PolarHBondContact O-N 3.09Å; L132-S136 PolarHBondContact O-N 2.94Å; L132-S136 PolarHBondContact O-OG 2.98Å; L132-S136 VanDerWaalsContact O-OG 3.08Å; L132-V251 HydrophobicContact CD2-CG1 4.35Å; L132-D255 HydrophobicContact CD1-CB 4.02Å; L132-V256 HydrophobicContact CD1-CG2 3.83Å; L132-V256 HydrophobicContact CD2-CG2 4.27Å; L132-F420 HydrophobicContact CD2-CE1 3.88Å; L132-F420 HydrophobicContact CD2-CZ 3.79Å
133	A	97.1	Very high	93.2	Very high	2 Å²	2	28 Å²	28	2%	0.017	14%	0.142	C	C	.	.	H	α-helix	trans	-62.1	-52.4	175.3	0	0	0	0	0	110.5	F110 L115 L117 R130 I131 M135 S136 Y137	F110-A133 HydrophobicContact CD1-CB 3.89Å; F110-A133 HydrophobicContact CE1-CB 3.59Å; F110-A133 HydrophobicContact CZ-CB 4.28Å; L115-A133 HydrophobicContact CD1-CB 3.87Å; L117-A133 HydrophobicContact CD2-CB 3.93Å; R130-A133 WeakPolarHBondContact O-CB 3.49Å; R130-A133 PolarHBondContact O-N 3.38Å; I131-A133 VanDerWaalsContact C-N 3.32Å; I131-A133 PolarHBondContact O-N 2.58Å; A133-M135 VanDerWaalsContact C-N 3.28Å; A133-M135 PolarHBondContact O-N 2.99Å; A133-S136 PolarHBondContact O-N 3.3Å; A133-S136 PolarHBondContact O-OG 3.07Å; A133-Y137 WeakPolarHBondContact O-CB 3.15Å; A133-Y137 PolarHBondContact O-N 3.41Å
134	Q	97.9	Very high	93.8	Very high	3 Å²	3	25.1 Å²	25.1	1%	0.014	12%	0.124	C	C	.	.	H	α-helix	trans	-60.5	-33.9	178.6	-68.7	178.7	-21.5	0	0	113.2	L117 R130 I131 S136 T242 R427 M430	L117-Q134 HydrophobicContact CB-CG 4.47Å; L117-Q134 HydrophobicContact CD2-CG 4.24Å; L117-Q134 PolarHBondContact O-NE2 2.95Å; R130-Q134 HydrophobicContact CB-CG 4.48Å; R130-Q134 WeakPolarHBondContact O-CB 3.21Å; R130-Q134 VanDerWaalsContact O-CG 3.32Å; R130-Q134 WeakPolarHBondContact O-CG 2.94Å; R130-Q134 PolarHBondContact O-N 3.37Å; I131-Q134 PolarHBondContact O-N 3.04Å; Q134-S136 VanDerWaalsContact C-N 3.32Å; Q134-T242 PolarHBondContact NE2-O 3.45Å; Q134-R427 HydrophobicContact CB-CB 4.44Å; Q134-R427 HydrophobicContact CB-CG 3.94Å; Q134-M430 HydrophobicContact CB-CE 3.78Å; Q134-M430 HydrophobicContact CG-CE 3.82Å
135	M	98	Very high	94.2	Very high	4 Å²	4	23.9 Å²	23.9	2%	0.02	12%	0.119	C	C	.	.	H	α-helix	trans	-67	-33.6	175.5	-75.5	174.3	60.1	0	0	112.6	L98 F99 I131 L132 A133 F420 T422 F423 R427	L98-M135 HydrophobicContact CB-CE 4.2Å; L98-M135 HydrophobicContact CD1-CB 4.24Å; L98-M135 WeakPolarHBondContact CD1-O 3.36Å; F99-M135 HydrophobicContact CE1-CE 4.27Å; F99-M135 HydrophobicContact CE2-CB 4.42Å; F99-M135 HydrophobicContact CZ-CB 4.29Å; F99-M135 HydrophobicContact CZ-CE 4.15Å; I131-M135 HydrophobicContact CG2-CG 4.29Å; I131-M135 HydrophobicContact CG2-SD 3.79Å; I131-M135 WeakPolarHBondContact O-CB 3.23Å; I131-M135 VanDerWaalsContact O-CG 3.23Å; I131-M135 WeakPolarHBondContact O-CG 3.48Å; I131-M135 PolarHBondContact O-N 3.49Å; L132-M135 HydrophobicContact CD2-SD 4.27Å; L132-M135 PolarHBondContact O-N 3.09Å; A133-M135 VanDerWaalsContact C-N 3.28Å; A133-M135 PolarHBondContact O-N 2.99Å; M135-F420 HydrophobicContact CE-CE1 3.78Å; M135-F420 HydrophobicContact CE-CZ 3.5Å; M135-F420 VanDerWaalsContact CE-CZ 3.5Å; M135-F420 HydrophobicContact SD-CE1 3.67Å; M135-F420 HydrophobicContact SD-CZ 3.9Å; M135-T422 WeakPolarHBondContact CG-O 3.41Å; M135-F423 HydrophobicContact CE-CD2 3.85Å; M135-F423 HydrophobicContact CE-CE2 4.48Å; M135-R427 HydrophobicContact CG-CG 4.22Å
136	S	97.7	Very high	94.6	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-98.6	-20.2	-174.2	63.1	0	0	0	0	115	I94 D95 L132 A133 Q134	I94-S136 CarbonylContact C-O 3.55Å; I94-S136 WeakPolarHBondContact CA-O 3.41Å; D95-S136 PolarHBondContact N-O 3.28Å; D95-S136 WeakPolarHBondContact O-CA 3.3Å; D95-S136 VanDerWaalsContact O-CB 3.23Å; D95-S136 WeakPolarHBondContact O-CB 3.43Å; L132-S136 PolarHBondContact O-N 2.94Å; L132-S136 PolarHBondContact O-OG 2.98Å; L132-S136 VanDerWaalsContact O-OG 3.08Å; A133-S136 PolarHBondContact O-N 3.3Å; A133-S136 PolarHBondContact O-OG 3.07Å; Q134-S136 VanDerWaalsContact C-N 3.32Å
137	Y	97.9	Very high	95.1	Very high	2 Å²	2	36.6 Å²	36.6	1%	0.008	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	131.7	-169.6	-177	-106.6	0	0	0	112.5	R89 S93 I94 M112 L115 L117 A133 P139 M430 E434	R89-Y137 HydrophobicContact CG-CE2 4.34Å; R89-Y137 PolarHBondContact O-OH 3.26Å; S93-Y137 WeakPolarHBondContact O-CA 3.48Å; I94-Y137 HydrophobicContact CD1-CD2 4.46Å; M112-Y137 HydrophobicContact CE-CD2 4.05Å; M112-Y137 HydrophobicContact CE-CE2 3.75Å; L115-Y137 HydrophobicContact CD2-CD2 3.4Å; L115-Y137 VanDerWaalsContact CD2-CD2 3.4Å; L115-Y137 HydrophobicContact CD2-CE2 3.8Å; L115-Y137 HydrophobicContact CD2-CG 4.08Å; L117-Y137 HydrophobicContact CD1-CD1 3.4Å; L117-Y137 VanDerWaalsContact CD1-CD1 3.4Å; L117-Y137 HydrophobicContact CD1-CE1 3.7Å; L117-Y137 HydrophobicContact CD1-CG 3.91Å; L117-Y137 HydrophobicContact CD2-CD1 4.48Å; L117-Y137 HydrophobicContact CD2-CG 4.25Å; A133-Y137 WeakPolarHBondContact O-CB 3.15Å; A133-Y137 PolarHBondContact O-N 3.41Å; Y137-P139 HydrophobicContact CD1-CG 4.22Å; Y137-P139 HydrophobicContact CE1-CB 4.18Å; Y137-P139 HydrophobicContact CE1-CG 3.9Å; Y137-M430 HydrophobicContact CD1-CG 4.23Å; Y137-M430 HydrophobicContact CD1-SD 4.18Å; Y137-E434 HydrophobicContact CE1-CG 4.44Å
138	V	98	Very high	95.7	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	117.3	171.3	-175.5	0	0	0	0	108.6	G92 S93 D95 V142 L143 P173 V174	G92-V138 VanDerWaalsContact CA-O 3.25Å; G92-V138 WeakPolarHBondContact CA-O 3.36Å; S93-V138 PolarHBondContact N-O 3.4Å; S93-V138 PolarHBondContact O-N 2.77Å; D95-V138 HydrophobicContact CB-CG2 3.89Å; V138-V142 HydrophobicContact CG1-CB 4.25Å; V138-V142 HydrophobicContact CG1-CG1 4.16Å; V138-L143 HydrophobicContact CB-CD2 4.27Å; V138-L143 HydrophobicContact CG1-CD2 3.59Å; V138-L143 HydrophobicContact CG1-CG 3.88Å; V138-P173 HydrophobicContact CG2-CB 3.75Å; V138-V174 HydrophobicContact CB-CG2 4.35Å; V138-V174 HydrophobicContact CG1-CG2 4.14Å; V138-V174 HydrophobicContact CG2-CG2 4.28Å
139	P	96.9	Very high	96.6	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	18%	0.183	C	C	.	.			trans	-59.9	145.9	178.6	-26.5	35.9	0	0	0	113.7	Y137 Q141 V142 L143 M430 H433 E434	Y137-P139 HydrophobicContact CD1-CG 4.22Å; Y137-P139 HydrophobicContact CE1-CB 4.18Å; Y137-P139 HydrophobicContact CE1-CG 3.9Å; P139-Q141 VanDerWaalsContact C-N 3.33Å; P139-Q141 PolarHBondContact O-N 3.2Å; P139-V142 HydrophobicContact CB-CG2 4.25Å; P139-V142 WeakPolarHBondContact O-CB 3.42Å; P139-V142 PolarHBondContact O-N 3.11Å; P139-V142 VanDerWaalsContact O-N 3.11Å; P139-L143 PolarHBondContact O-N 3.38Å; P139-M430 HydrophobicContact CG-CG 4.32Å; P139-H433 HydrophobicContact CB-CB 4.49Å; P139-H433 HydrophobicContact CG-CB 3.99Å; P139-E434 WeakPolarHBondContact CB-OE1 3.48Å; P139-E434 HydrophobicContact CG-CG 4.14Å
140	V	95.6	Very high	97.1	Very high	8 Å²	8	39.1 Å²	39.1	5%	0.048	20%	0.197	C	C	.	.	H	α-helix	trans	-57.8	-40.9	-175.8	61.8	0	0	0	0	113.2	K88 L91 V142 L143 E144	K88-V140 HydrophobicContact CB-CG1 4.14Å; L91-V140 HydrophobicContact CB-CB 4.09Å; L91-V140 HydrophobicContact CB-CG2 3.59Å; V140-V142 VanDerWaalsContact C-N 3.25Å; V140-V142 PolarHBondContact O-N 3.02Å; V140-L143 WeakPolarHBondContact O-CB 3.22Å; V140-L143 PolarHBondContact O-N 2.98Å; V140-L143 VanDerWaalsContact O-N 3.08Å; V140-E144 HydrophobicContact CG2-CG 4.22Å; V140-E144 WeakPolarHBondContact O-CG 3.44Å; V140-E144 PolarHBondContact O-N 3.01Å
141	Q	95.2	Very high	97.2	Very high	28 Å²	28	44.8 Å²	44.8	13%	0.131	23%	0.226	C	C	.	.	H	α-helix	trans	-65.6	-29.2	-179.2	67.1	-81.8	18.4	0	0	112.7	P139 A145 L152 H433 N437	P139-Q141 VanDerWaalsContact C-N 3.33Å; P139-Q141 PolarHBondContact O-N 3.2Å; Q141-A145 WeakPolarHBondContact O-CB 3.31Å; Q141-A145 PolarHBondContact O-N 3.12Å; Q141-L152 HydrophobicContact CB-CD2 4.3Å; Q141-L152 HydrophobicContact CG-CD2 3.8Å; Q141-H433 PolarHBondContact NE2-O 2.97Å; Q141-N437 VanDerWaalsContact CD-ND2 3.32Å; Q141-N437 PolarHBondContact NE2-ND2 2.87Å; Q141-N437 PolarHBondContact OE1-ND2 3.09Å
142	V	97.3	Very high	97.1	Very high	3 Å²	3	47.5 Å²	47.5	2%	0.018	24%	0.241	C	C	.	.	H	α-helix	trans	-69.4	-43.1	173.5	178.3	0	0	0	0	109.5	V138 P139 V140 A145 R146 V174 H433	V138-V142 HydrophobicContact CG1-CB 4.25Å; V138-V142 HydrophobicContact CG1-CG1 4.16Å; P139-V142 HydrophobicContact CB-CG2 4.25Å; P139-V142 WeakPolarHBondContact O-CB 3.42Å; P139-V142 PolarHBondContact O-N 3.11Å; P139-V142 VanDerWaalsContact O-N 3.11Å; V140-V142 VanDerWaalsContact C-N 3.25Å; V140-V142 PolarHBondContact O-N 3.02Å; V142-A145 PolarHBondContact O-N 3.22Å; V142-R146 VanDerWaalsContact O-CG 3.28Å; V142-R146 WeakPolarHBondContact O-CG 3.32Å; V142-R146 PolarHBondContact O-N 3.06Å; V142-V174 HydrophobicContact CG2-CG1 4.35Å; V142-H433 HydrophobicContact CG2-CB 4.25Å; V142-H433 WeakPolarHBondContact CG2-ND1 3.31Å
143	L	97	Very high	97.1	Very high	49 Å²	49	51 Å²	51	26%	0.257	26%	0.258	S	S	.	.	H	α-helix	trans	-64.1	-43.2	176.5	-60.2	173.7	0	0	0	112.2	S93 V138 P139 V140 R146 R147	S93-L143 WeakPolarHBondContact OG-CD1 3.29Å; V138-L143 HydrophobicContact CB-CD2 4.27Å; V138-L143 HydrophobicContact CG1-CD2 3.59Å; V138-L143 HydrophobicContact CG1-CG 3.88Å; P139-L143 PolarHBondContact O-N 3.38Å; V140-L143 WeakPolarHBondContact O-CB 3.22Å; V140-L143 PolarHBondContact O-N 2.98Å; V140-L143 VanDerWaalsContact O-N 3.08Å; L143-R146 PolarHBondContact O-N 3.44Å; L143-R147 WeakPolarHBondContact O-CB 3.42Å; L143-R147 PolarHBondContact O-N 3.33Å
144	E	96.5	Very high	97.1	Very high	92 Å²	92	51.6 Å²	51.6	43%	0.43	26%	0.26	S	S	.	.	H	α-helix	trans	-63.5	-44.7	177.3	-72.8	177.8	166.6	0	0	111.5	V140 R147 N148	V140-E144 HydrophobicContact CG2-CG 4.22Å; V140-E144 WeakPolarHBondContact O-CG 3.44Å; V140-E144 PolarHBondContact O-N 3.01Å; E144-R147 PolarHBondContact O-N 2.97Å; E144-N148 VanDerWaalsContact O-CG 3.3Å; E144-N148 PolarHBondContact O-N 3.24Å; E144-N148 VanDerWaalsContact O-N 3.07Å; E144-N148 PolarHBondContact O-ND2 3.16Å
145	A	97.7	Very high	97.1	Very high	10 Å²	10	56.2 Å²	56.2	8%	0.083	28%	0.277	C	S	.	.	H	α-helix	trans	-58.5	-50.1	174.7	0	0	0	0	0	111.2	Q141 V142 R147 N148 G149 Q150 L152	Q141-A145 WeakPolarHBondContact O-CB 3.31Å; Q141-A145 PolarHBondContact O-N 3.12Å; V142-A145 PolarHBondContact O-N 3.22Å; A145-R147 VanDerWaalsContact C-N 3.32Å; A145-R147 PolarHBondContact O-N 3.46Å; A145-N148 CarbonylContact O-C 3.57Å; A145-N148 PolarHBondContact O-N 3.1Å; A145-G149 PolarHBondContact O-N 3.36Å; A145-Q150 CarbonylContact C-O 3.52Å; A145-Q150 HydrophobicContact CB-CB 4.26Å; A145-Q150 WeakPolarHBondContact O-CA 3.46Å; A145-Q150 PolarHBondContact O-N 3.45Å; A145-Q150 VanDerWaalsContact O-O 3.04Å; A145-L152 HydrophobicContact CB-CB 4.04Å
146	R	97.5	Very high	97.1	Very high	78 Å²	78	56 Å²	56	29%	0.294	28%	0.276	S	S	.	.	H	α-helix	trans	-55.3	-46	176.7	-73.3	172.6	-178.4	176.3	5.7	112	V142 L143 N148 G149 P173 E176	V142-R146 VanDerWaalsContact O-CG 3.28Å; V142-R146 WeakPolarHBondContact O-CG 3.32Å; V142-R146 PolarHBondContact O-N 3.06Å; L143-R146 PolarHBondContact O-N 3.44Å; R146-N148 PolarHBondContact O-N 3.35Å; R146-G149 PolarHBondContact O-N 3.22Å; R146-P173 PolarHBondContact NH1-O 2.93Å; R146-P173 PolarHBondContact NH2-O 3.3Å; R146-E176 IonicContact CZ-OE1 3.69Å; R146-E176 IonicContact CZ-OE2 2.76Å; R146-E176 IonicContact NE-OE1 3.9Å; R146-E176 PolarHBondContact NE-OE1 3.23Å; R146-E176 VanDerWaalsContact NH2-CD 3.26Å; R146-E176 IonicContact NH2-OE1 3.01Å; R146-E176 PolarHBondContact NH2-OE1 2.99Å; R146-E176 IonicContact NH2-OE2 2.7Å; R146-E176 PolarHBondContact NH2-OE2 3.49Å
147	R	97.4	Very high	97.1	Very high	224 Å²	224	56.8 Å²	56.8	85%	0.845	28%	0.279	S	S	*	.	H	α-helix	trans	-61.5	-33.5	179	-176.9	179.2	176.6	179.9	-0.7	112.5	L143 E144 A145 G149	L143-R147 WeakPolarHBondContact O-CB 3.42Å; L143-R147 PolarHBondContact O-N 3.33Å; E144-R147 PolarHBondContact O-N 2.97Å; A145-R147 VanDerWaalsContact C-N 3.32Å; A145-R147 PolarHBondContact O-N 3.46Å; R147-G149 VanDerWaalsContact C-N 3.27Å; R147-G149 PolarHBondContact O-N 3.37Å
148	N	97.9	Very high	97	Very high	110 Å²	110	56.7 Å²	56.7	59%	0.588	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.5	6.6	178.2	-64	-23.5	0	0	0	113.2	E144 A145 R146 Q150	E144-N148 VanDerWaalsContact O-CG 3.3Å; E144-N148 PolarHBondContact O-N 3.24Å; E144-N148 VanDerWaalsContact O-N 3.07Å; E144-N148 PolarHBondContact O-ND2 3.16Å; A145-N148 CarbonylContact O-C 3.57Å; A145-N148 PolarHBondContact O-N 3.1Å; R146-N148 PolarHBondContact O-N 3.35Å; N148-Q150 HydrophobicContact CB-CG 4.25Å; N148-Q150 PolarHBondContact O-N 3.5Å
149	G	97.3	Very high	96.7	Very high	73 Å²	73	58.6 Å²	58.6	75%	0.753	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.5	20.1	-175.7	0	0	0	0	0	113.4	A145 R146 R147	A145-G149 PolarHBondContact O-N 3.36Å; R146-G149 PolarHBondContact O-N 3.22Å; R147-G149 VanDerWaalsContact C-N 3.27Å; R147-G149 PolarHBondContact O-N 3.37Å
150	Q	97.3	Very high	96.4	Very high	123 Å²	123	60.3 Å²	60.3	58%	0.575	31%	0.306	S	S	*	.			trans	-102.5	157.6	178.6	-64.3	177.7	-34.1	0	0	110.4	A145 N148	A145-Q150 CarbonylContact C-O 3.52Å; A145-Q150 HydrophobicContact CB-CB 4.26Å; A145-Q150 WeakPolarHBondContact O-CA 3.46Å; A145-Q150 PolarHBondContact O-N 3.45Å; A145-Q150 VanDerWaalsContact O-O 3.04Å; N148-Q150 HydrophobicContact CB-CG 4.25Å; N148-Q150 PolarHBondContact O-N 3.5Å
151	I	95.3	Very high	96.2	Very high	122 Å²	122	62 Å²	62	63%	0.626	31%	0.312	S	S	*	.			trans	-121.5	113.1	173.6	-53.6	177.9	0	0	0	107.4	M153 E176	I151-M153 HydrophobicContact CG2-CG 3.71Å; I151-M153 HydrophobicContact CG2-SD 3.51Å; I151-M153 VanDerWaalsContact CG2-SD 3.51Å; I151-M153 PolarHBondContact O-N 2.86Å; I151-E176 HydrophobicContact CG2-CB 4.3Å; I151-E176 HydrophobicContact CG2-CG 3.8Å
152	L	96.1	Very high	95.8	Very high	66 Å²	66	67.3 Å²	67.3	35%	0.346	34%	0.335	S	S	.	.			trans	-86.3	98.6	173.1	-178.8	62.7	0	0	0	107.8	Q141 A145 E176 H433	Q141-L152 HydrophobicContact CB-CD2 4.3Å; Q141-L152 HydrophobicContact CG-CD2 3.8Å; A145-L152 HydrophobicContact CB-CB 4.04Å; L152-E176 WeakPolarHBondContact O-CB 3.46Å; L152-H433 PolarHBondContact O-CE1 3.33Å
153	M	97.8	Very high	95.2	Very high	73 Å²	73	71.7 Å²	71.7	36%	0.36	37%	0.366	S	S	.	.			trans	-90.2	134.8	-178.5	-72.6	-58.2	-63.3	0	0	112.1	I151 E176 C177 N178	I151-M153 HydrophobicContact CG2-CG 3.71Å; I151-M153 HydrophobicContact CG2-SD 3.51Å; I151-M153 VanDerWaalsContact CG2-SD 3.51Å; I151-M153 PolarHBondContact O-N 2.86Å; M153-E176 VanDerWaalsContact SD-C 3.58Å; M153-E176 VanDerWaalsContact SD-CA 3.54Å; M153-E176 HydrophobicContact SD-CB 3.81Å; M153-E176 HydrophobicContact SD-CG 4.46Å; M153-C177 VanDerWaalsContact CE-C 3.47Å; M153-N178 HydrophobicContact CE-CB 4.11Å; M153-N178 VanDerWaalsContact CE-N 3.32Å; M153-N178 WeakPolarHBondContact CE-OD1 3.4Å
154	K	98	Very high	94.7	Very high	15 Å²	15	77.2 Å²	77.2	7%	0.065	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	158.1	165.9	-61	-63	-111.5	-179.1	0	111.3	E176 C177 N178 D190 A432 H433 D436	K154-E176 PolarHBondContact N-O 2.99Å; K154-C177 CarbonylContact O-C 3.6Å; K154-C177 VanDerWaalsContact O-CA 3.26Å; K154-C177 WeakPolarHBondContact O-CA 3.47Å; K154-N178 PolarHBondContact O-N 3.2Å; K154-D190 HydrophobicContact CD-CB 4.48Å; K154-A432 HydrophobicContact CB-CB 4.14Å; K154-A432 WeakPolarHBondContact CE-O 3.44Å; K154-A432 HydrophobicContact CG-CB 4.4Å; K154-H433 VanDerWaalsContact CG-CE1 3.49Å; K154-H433 WeakPolarHBondContact CG-CE1 3.49Å; K154-D436 WeakPolarHBondContact CE-OD2 3.4Å; K154-D436 IonicContact NZ-OD1 2.71Å; K154-D436 PolarHBondContact NZ-OD1 3.14Å; K154-D436 IonicContact NZ-OD2 2.76Å; K154-D436 PolarHBondContact NZ-OD2 2.68Å
155	R	97.7	Very high	94.4	Very high	100 Å²	100	76.3 Å²	76.3	38%	0.377	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	119.6	179.1	-67.1	166.2	-69.5	179.6	7.2	109.9	N178 Q188 D190 L191	R155-N178 WeakPolarHBondContact CA-O 3.47Å; R155-Q188 WeakPolarHBondContact CD-O 3.33Å; R155-Q188 PolarHBondContact NE-O 2.82Å; R155-Q188 PolarHBondContact NH1-O 3.18Å; R155-Q188 PolarHBondContact NH2-O 3.49Å; R155-D190 WeakPolarHBondContact CB-OD2 3.42Å; R155-D190 PolarHBondContact N-OD2 3.09Å; R155-D190 IonicContact NE-OD2 2.72Å; R155-D190 PolarHBondContact NE-OD2 2.9Å; R155-D190 IonicContact NH2-OD1 3.33Å; R155-D190 PolarHBondContact O-N 3.04Å; R155-L191 PolarHBondContact O-N 3.16Å; R155-L191 VanDerWaalsContact O-N 3.13Å
156	I	98	Very high	94.3	Very high	0 Å²	0	77.7 Å²	77.7	0%	0	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	118	176.9	-53.2	178.5	0	0	0	108.6	Y158 C177 N178 V179 S180 L191 V193 C429 A432	I156-Y158 HydrophobicContact CB-CE2 4.32Å; I156-Y158 HydrophobicContact CG2-CD2 4.16Å; I156-Y158 HydrophobicContact CG2-CE2 3.59Å; I156-C177 HydrophobicContact CD1-CB 3.96Å; I156-C177 HydrophobicContact CG1-CB 4.32Å; I156-N178 PolarHBondContact N-O 2.94Å; I156-V179 HydrophobicContact CB-CG1 4.4Å; I156-V179 CarbonylContact O-C 3.51Å; I156-V179 WeakPolarHBondContact O-CA 3.36Å; I156-S180 PolarHBondContact O-N 3.26Å; I156-L191 CarbonylContact C-O 3.19Å; I156-L191 VanDerWaalsContact CA-O 3.32Å; I156-L191 WeakPolarHBondContact CA-O 3.26Å; I156-L191 HydrophobicContact CG1-CB 4.43Å; I156-L191 HydrophobicContact CG2-CD2 4.49Å; I156-V193 HydrophobicContact CG2-CG2 3.85Å; I156-C429 HydrophobicContact CD1-CB 4.22Å; I156-A432 HydrophobicContact CD1-CB 4.22Å; I156-A432 HydrophobicContact CG1-CB 4.26Å
157	Y	96.8	Very high	94.2	Very high	16 Å²	16	75.1 Å²	75.1	6%	0.063	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	119.7	178.2	-177.7	-83.6	0	0	0	110.3	H159 G181 D184 I186 L191 V192 V193	Y157-H159 HydrophobicContact CD1-CB 4.43Å; Y157-H159 HydrophobicContact CE1-CB 4.12Å; Y157-G181 WeakPolarHBondContact CE2-O 3.17Å; Y157-G181 PolarHBondContact OH-O 2.94Å; Y157-D184 HydrophobicContact CD2-CB 4.28Å; Y157-D184 HydrophobicContact CE2-CB 3.98Å; Y157-D184 WeakPolarHBondContact CE2-O 3.3Å; Y157-I186 HydrophobicContact CD1-CB 4.18Å; Y157-I186 HydrophobicContact CD1-CD1 4.05Å; Y157-I186 HydrophobicContact CD1-CG1 3.77Å; Y157-I186 HydrophobicContact CD2-CB 4.36Å; Y157-I186 HydrophobicContact CE1-CB 4.03Å; Y157-I186 HydrophobicContact CE1-CD1 3.9Å; Y157-I186 HydrophobicContact CE1-CG1 3.92Å; Y157-I186 HydrophobicContact CE2-CB 4.2Å; Y157-I186 HydrophobicContact CG-CB 4.35Å; Y157-I186 HydrophobicContact CG-CG1 4.18Å; Y157-L191 PolarHBondContact N-O 3.42Å; Y157-V192 HydrophobicContact CD1-CG1 4.17Å; Y157-V192 CarbonylContact O-C 3.15Å; Y157-V192 WeakPolarHBondContact O-CA 3.36Å; Y157-V193 PolarHBondContact O-N 2.61Å
158	Y	95.9	Very high	94.1	Very high	1 Å²	1	70.1 Å²	70.1	0%	0.004	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	105.4	174.8	-70.4	-95.2	0	0	0	110.2	I156 G160 K161 L166 P167 V179 S180 V193 D425 L428	I156-Y158 HydrophobicContact CB-CE2 4.32Å; I156-Y158 HydrophobicContact CG2-CD2 4.16Å; I156-Y158 HydrophobicContact CG2-CE2 3.59Å; Y158-G160 PolarHBondContact O-N 2.69Å; Y158-K161 HydrophobicContact CD1-CD 3.97Å; Y158-K161 HydrophobicContact CG-CD 4.05Å; Y158-K161 PolarHBondContact O-N 3.18Å; Y158-L166 HydrophobicContact CD2-CD2 3.97Å; Y158-L166 HydrophobicContact CG-CD2 4.33Å; Y158-P167 HydrophobicContact CE2-CG 3.81Å; Y158-V179 HydrophobicContact CD2-CB 4.49Å; Y158-V179 HydrophobicContact CE2-CB 4.2Å; Y158-V179 HydrophobicContact CE2-CG1 3.99Å; Y158-S180 PolarHBondContact N-O 3.38Å; Y158-V193 HydrophobicContact CD1-CB 3.81Å; Y158-V193 HydrophobicContact CD1-CG1 3.84Å; Y158-V193 HydrophobicContact CD1-CG2 4.24Å; Y158-V193 HydrophobicContact CE1-CB 4.05Å; Y158-V193 HydrophobicContact CE1-CG1 3.95Å; Y158-V193 HydrophobicContact CE1-CG2 4.03Å; Y158-V193 HydrophobicContact CG-CB 4.37Å; Y158-D425 PolarHBondContact OH-OD1 2.89Å; Y158-L428 HydrophobicContact CE1-CD1 4.41Å
159	H	92.6	Very high	94.1	Very high	40 Å²	40	65.4 Å²	65.4	19%	0.185	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66	127.4	-179	-176.6	85.6	0	0	0	111.3	Y157 K161 V193 F194	Y157-H159 HydrophobicContact CD1-CB 4.43Å; Y157-H159 HydrophobicContact CE1-CB 4.12Å; H159-K161 VanDerWaalsContact C-N 3.3Å; H159-K161 PolarHBondContact O-N 3.2Å; H159-V193 WeakPolarHBondContact CB-O 3.27Å; H159-V193 PolarHBondContact N-O 2.88Å; H159-F194 HydrophobicContact CB-CD1 3.62Å; H159-F194 HydrophobicContact CB-CE1 3.86Å; H159-F194 AromaticContact CD2-CD1 3.95Å; H159-F194 AromaticContact CG-CD1 3.7Å; H159-F194 AromaticContact CG-CE1 3.77Å; H159-F194 AromaticContact ND1-CE1 3.99Å
160	G	89.3	Confident	93.9	Very high	36 Å²	36	65.1 Å²	65.1	37%	0.371	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	85.9	-10.2	179.1	0	0	0	0	0	114.8	Y158 N182	Y158-G160 PolarHBondContact O-N 2.69Å; G160-N182 VanDerWaalsContact C-ND2 3.35Å; G160-N182 WeakPolarHBondContact CA-OD1 3.47Å; G160-N182 PolarHBondContact N-OD1 3.22Å; G160-N182 VanDerWaalsContact N-OD1 3.12Å; G160-N182 PolarHBondContact O-ND2 3.48Å; G160-N182 VanDerWaalsContact O-ND2 3.13Å
161	K	91.6	Very high	93.8	Very high	42 Å²	42	63.9 Å²	63.9	18%	0.183	34%	0.343	C	S	.	.			trans	-85.9	141	178.6	-76	-168.6	161.4	159.9	0	112.1	Y158 H159 L166 G181 N182 E195	Y158-K161 HydrophobicContact CD1-CD 3.97Å; Y158-K161 HydrophobicContact CG-CD 4.05Å; Y158-K161 PolarHBondContact O-N 3.18Å; H159-K161 VanDerWaalsContact C-N 3.3Å; H159-K161 PolarHBondContact O-N 3.2Å; K161-L166 HydrophobicContact CB-CD2 4.28Å; K161-G181 CarbonylContact O-C 3.41Å; K161-G181 WeakPolarHBondContact O-CA 3.42Å; K161-N182 WeakPolarHBondContact O-CB 3.37Å; K161-N182 PolarHBondContact O-N 3.2Å; K161-E195 WeakPolarHBondContact CE-OE1 3.29Å; K161-E195 VanDerWaalsContact CE-OE2 3.23Å; K161-E195 WeakPolarHBondContact CE-OE2 3.34Å; K161-E195 IonicContact NZ-OE1 2.88Å; K161-E195 PolarHBondContact NZ-OE1 3.39Å; K161-E195 IonicContact NZ-OE2 2.6Å
162	F	87.9	Confident	93.9	Very high	141 Å²	141	58.1 Å²	58.1	62%	0.618	31%	0.313	S	S	*	.			trans	-91	162.6	169.8	-63.4	-83.6	0	0	0	110.9	N164 S165 N182	F162-N164 VanDerWaalsContact C-N 3.26Å; F162-N164 PolarHBondContact O-N 3.42Å; F162-N164 VanDerWaalsContact O-N 3.12Å; F162-S165 PolarHBondContact O-N 3.39Å; F162-N182 HydrophobicContact CD1-CB 4.21Å; F162-N182 HydrophobicContact CE1-CB 4.25Å
163	S	84.6	Confident	94	Very high	95 Å²	95	55.4 Å²	55.4	66%	0.664	30%	0.299	S	S	*	.	G	3₁₀ helix	trans	-50.2	-41.1	-175.9	-177.6	0	0	0	0	113.9	S165 L166	S163-S165 PolarHBondContact O-N 2.03Å; S163-S165 VanDerWaalsContact O-N 3.11Å; S163-L166 PolarHBondContact O-N 3Å
164	N	86.6	Confident	94	Very high	164 Å²	164	52 Å²	52	88%	0.877	28%	0.283	S	S	*	.	G	3₁₀ helix	trans	-70	-7	-178.7	-61	-4.9	0	0	0	114.5	F162	F162-N164 VanDerWaalsContact C-N 3.26Å; F162-N164 PolarHBondContact O-N 3.42Å; F162-N164 VanDerWaalsContact O-N 3.12Å
165	S	90.5	Very high	94	Very high	74 Å²	74	56.7 Å²	56.7	52%	0.517	30%	0.301	S	S	.	.	G	3₁₀ helix	trans	-115.3	8.3	-178.8	-53.9	0	0	0	0	112.7	F162 S163	F162-S165 PolarHBondContact O-N 3.39Å; S163-S165 PolarHBondContact O-N 2.03Å; S163-S165 VanDerWaalsContact O-N 3.11Å
166	L	94.9	Very high	94	Very high	39 Å²	39	52.1 Å²	52.1	20%	0.204	28%	0.284	C	S	.	.	S	Bend	trans	-77.2	144.6	176	-63.9	175.8	0	0	0	110.6	Y158 K161 S163 V179 S180	Y158-L166 HydrophobicContact CD2-CD2 3.97Å; Y158-L166 HydrophobicContact CG-CD2 4.33Å; K161-L166 HydrophobicContact CB-CD2 4.28Å; S163-L166 PolarHBondContact O-N 3Å; L166-V179 HydrophobicContact CB-CG2 3.94Å; L166-V179 HydrophobicContact CD1-CG2 4.38Å; L166-S180 WeakPolarHBondContact CD2-O 3.4Å
167	P	95.3	Very high	94	Very high	23 Å²	23	52.6 Å²	52.6	15%	0.149	29%	0.287	C	S	.	.	P	Polyproline II helix	trans	-74.4	144.8	-177.6	29.6	-33.8	0	0	0	112.1	Y158 L169 V179 D425	Y158-P167 HydrophobicContact CE2-CG 3.81Å; P167-L169 HydrophobicContact CB-CD2 4.38Å; P167-L169 HydrophobicContact CG-CD2 4.47Å; P167-V179 HydrophobicContact CG-CG1 4.21Å; P167-D425 HydrophobicContact CB-CB 3.64Å; P167-D425 VanDerWaalsContact CB-CG 3.49Å; P167-D425 HydrophobicContact CG-CB 3.92Å
168	D	95.2	Very high	94.1	Very high	119 Å²	119	56.5 Å²	56.5	64%	0.636	31%	0.309	S	S	*	.	P	Polyproline II helix	trans	-86.9	117.9	169.3	176.5	17	0	0	0	110.3	S170	D168-S170 VanDerWaalsContact CG-OG 3.26Å; D168-S170 WeakPolarHBondContact OD1-CB 3.46Å; D168-S170 PolarHBondContact OD1-N 3.22Å; D168-S170 PolarHBondContact OD1-OG 3.2Å; D168-S170 PolarHBondContact OD2-OG 2.93Å
169	L	97	Very high	94.1	Very high	11 Å²	11	58.4 Å²	58.4	6%	0.058	32%	0.321	C	S	.	.			trans	-99.4	1.5	-178.3	-55.7	-178.3	0	0	0	113.5	P167 K171 C172 Y175 C177 V179 D425 C429	P167-L169 HydrophobicContact CB-CD2 4.38Å; P167-L169 HydrophobicContact CG-CD2 4.47Å; L169-K171 PolarHBondContact O-N 2.64Å; L169-C172 VanDerWaalsContact CA-SG 3.55Å; L169-C172 VanDerWaalsContact O-CB 3.23Å; L169-C172 WeakPolarHBondContact O-CB 3.4Å; L169-C172 PolarHBondContact O-N 3.48Å; L169-C172 PolarHBondContact O-SG 3.49Å; L169-C172 VanDerWaalsContact O-SG 3.35Å; L169-Y175 VanDerWaalsContact O-CB 3.26Å; L169-Y175 WeakPolarHBondContact O-CB 3.47Å; L169-C177 HydrophobicContact CD1-CB 3.67Å; L169-V179 HydrophobicContact CD1-CG1 3.67Å; L169-V179 HydrophobicContact CG-CG1 4.29Å; L169-D425 HydrophobicContact CD2-CB 3.81Å; L169-C429 HydrophobicContact CD1-CB 4.02Å
170	S	94.6	Very high	94.3	Very high	67 Å²	67	57.6 Å²	57.6	47%	0.469	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-27.4	-174.4	64.5	0	0	0	0	114.1	K97 D168	K97-S170 PolarHBondContact NZ-O 3.05Å; D168-S170 VanDerWaalsContact CG-OG 3.26Å; D168-S170 WeakPolarHBondContact OD1-CB 3.46Å; D168-S170 PolarHBondContact OD1-N 3.22Å; D168-S170 PolarHBondContact OD1-OG 3.2Å; D168-S170 PolarHBondContact OD2-OG 2.93Å
171	K	94.5	Very high	94.6	Very high	97 Å²	97	56 Å²	56	42%	0.422	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88	-11.5	178.7	-65.7	-176.9	171	-155.1	0	113.8	K97 E101 L169	K97-K171 VanDerWaalsContact CD-O 3.24Å; K97-K171 WeakPolarHBondContact CD-O 3.29Å; K97-K171 WeakPolarHBondContact CE-O 3.5Å; K97-K171 PolarHBondContact NZ-O 2.74Å; E101-K171 HydrophobicContact CG-CB 4.46Å; E101-K171 HydrophobicContact CG-CD 4.32Å; E101-K171 WeakPolarHBondContact OE2-CD 3.41Å; E101-K171 VanDerWaalsContact OE2-CE 3.31Å; E101-K171 WeakPolarHBondContact OE2-CE 3.47Å; E101-K171 IonicContact OE2-NZ 2.78Å; E101-K171 PolarHBondContact OE2-NZ 3.37Å; L169-K171 PolarHBondContact O-N 2.64Å
172	C	98.2	Very high	94.4	Very high	1 Å²	1	56.9 Å²	56.9	1%	0.007	31%	0.309	C	S	.	.	S	Bend	trans	-69.8	149.3	-178.2	-54.8	0	0	0	0	111.9	L169 V174 C426	L169-C172 VanDerWaalsContact CA-SG 3.55Å; L169-C172 VanDerWaalsContact O-CB 3.23Å; L169-C172 WeakPolarHBondContact O-CB 3.4Å; L169-C172 PolarHBondContact O-N 3.48Å; L169-C172 PolarHBondContact O-SG 3.49Å; L169-C172 VanDerWaalsContact O-SG 3.35Å; C172-V174 VanDerWaalsContact C-N 3.27Å; C172-V174 WeakPolarHBondContact CB-O 3.18Å; C172-V174 PolarHBondContact O-N 3.24Å; C172-C426 VanDerWaalsContact CA-SG 3.57Å; C172-C426 HydrophobicContact CB-CB 3.61Å; C172-C426 WeakPolarHBondContact CB-SG 3.41Å; C172-C426 WeakPolarHBondContact SG-CA 3.32Å; C172-C426 WeakPolarHBondContact SG-CB 3.22Å; C172-C426 CovalentContact SG-SG 2.03Å; C172-C426 PolarHBondContact SG-SG 2.99Å
173	P	97.5	Very high	94.2	Very high	9 Å²	9	54.1 Å²	54.1	6%	0.058	32%	0.321	C	S	.	.	S	Bend	trans	-63.2	-35.1	170.8	-28.7	38.6	0	0	0	112.9	D95 L98 V138 R146	D95-P173 HydrophobicContact CB-CB 3.74Å; D95-P173 HydrophobicContact CB-CG 4.13Å; L98-P173 HydrophobicContact CD1-CG 4.34Å; L98-P173 HydrophobicContact CG-CG 4.09Å; V138-P173 HydrophobicContact CG2-CB 3.75Å; R146-P173 PolarHBondContact NH1-O 2.93Å; R146-P173 PolarHBondContact NH2-O 3.3Å
174	V	98.1	Very high	94.4	Very high	3 Å²	3	53.9 Å²	53.9	2%	0.018	31%	0.312	C	S	.	.	S	Bend	trans	-108.9	110	167.4	-173.2	0	0	0	0	106.5	V138 V142 C172 C429 M430 H433	V138-V174 HydrophobicContact CB-CG2 4.35Å; V138-V174 HydrophobicContact CG1-CG2 4.14Å; V138-V174 HydrophobicContact CG2-CG2 4.28Å; V142-V174 HydrophobicContact CG2-CG1 4.35Å; C172-V174 VanDerWaalsContact C-N 3.27Å; C172-V174 WeakPolarHBondContact CB-O 3.18Å; C172-V174 PolarHBondContact O-N 3.24Å; V174-C429 PolarHBondContact O-SG 3.34Å; V174-M430 HydrophobicContact CG2-CB 4.31Å; V174-H433 VanDerWaalsContact CG1-CD2 3.46Å; V174-H433 WeakPolarHBondContact CG1-CD2 3.29Å
175	Y	97.5	Very high	94.5	Very high	113 Å²	113	50.1 Å²	50.1	44%	0.443	29%	0.292	S	S	.	.			trans	-120	-1.8	-176.1	63	-93.8	0	0	0	112	L169 C177	L169-Y175 VanDerWaalsContact O-CB 3.26Å; L169-Y175 WeakPolarHBondContact O-CB 3.47Å; Y175-C177 PolarHBondContact O-N 3.02Å
176	E	98	Very high	94.6	Very high	4 Å²	4	47.7 Å²	47.7	2%	0.019	27%	0.273	C	S	.	.			trans	-76.5	54.3	-179.3	-60.1	84.4	166.8	0	0	112	R146 I151 L152 M153 K154 H433	R146-E176 IonicContact CZ-OE1 3.69Å; R146-E176 IonicContact CZ-OE2 2.76Å; R146-E176 IonicContact NE-OE1 3.9Å; R146-E176 PolarHBondContact NE-OE1 3.23Å; R146-E176 VanDerWaalsContact NH2-CD 3.26Å; R146-E176 IonicContact NH2-OE1 3.01Å; R146-E176 PolarHBondContact NH2-OE1 2.99Å; R146-E176 IonicContact NH2-OE2 2.7Å; R146-E176 PolarHBondContact NH2-OE2 3.49Å; I151-E176 HydrophobicContact CG2-CB 4.3Å; I151-E176 HydrophobicContact CG2-CG 3.8Å; L152-E176 WeakPolarHBondContact O-CB 3.46Å; M153-E176 VanDerWaalsContact SD-C 3.58Å; M153-E176 VanDerWaalsContact SD-CA 3.54Å; M153-E176 HydrophobicContact SD-CB 3.81Å; M153-E176 HydrophobicContact SD-CG 4.46Å; K154-E176 PolarHBondContact N-O 2.99Å; E176-H433 PolarHBondContact O-NE2 2.78Å; E176-H433 VanDerWaalsContact O-NE2 3.07Å
177	C	98.5	Very high	94.5	Very high	9 Å²	9	49.6 Å²	49.6	6%	0.061	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	124.3	174.6	-63.6	0	0	0	0	110.5	M153 K154 I156 L169 Y175 C429	M153-C177 VanDerWaalsContact CE-C 3.47Å; K154-C177 CarbonylContact O-C 3.6Å; K154-C177 VanDerWaalsContact O-CA 3.26Å; K154-C177 WeakPolarHBondContact O-CA 3.47Å; I156-C177 HydrophobicContact CD1-CB 3.96Å; I156-C177 HydrophobicContact CG1-CB 4.32Å; L169-C177 HydrophobicContact CD1-CB 3.67Å; Y175-C177 PolarHBondContact O-N 3.02Å; C177-C429 HydrophobicContact CB-CB 3.89Å; C177-C429 WeakPolarHBondContact CB-SG 3.42Å; C177-C429 WeakPolarHBondContact SG-CA 3.42Å; C177-C429 WeakPolarHBondContact SG-CB 3.33Å; C177-C429 CovalentContact SG-SG 2.04Å; C177-C429 PolarHBondContact SG-SG 2.8Å
178	N	97.3	Very high	94.4	Very high	99 Å²	99	53.8 Å²	53.8	53%	0.529	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	124	166.3	-77.9	-19.1	0	0	0	108.6	M153 K154 R155 I156	M153-N178 HydrophobicContact CE-CB 4.11Å; M153-N178 VanDerWaalsContact CE-N 3.32Å; M153-N178 WeakPolarHBondContact CE-OD1 3.4Å; K154-N178 PolarHBondContact O-N 3.2Å; R155-N178 WeakPolarHBondContact CA-O 3.47Å; I156-N178 PolarHBondContact N-O 2.94Å
179	V	97.3	Very high	94.5	Very high	40 Å²	40	48.4 Å²	48.4	24%	0.242	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	137.1	175.9	-61.8	0	0	0	0	110	I156 Y158 L166 P167 L169	I156-V179 HydrophobicContact CB-CG1 4.4Å; I156-V179 CarbonylContact O-C 3.51Å; I156-V179 WeakPolarHBondContact O-CA 3.36Å; Y158-V179 HydrophobicContact CD2-CB 4.49Å; Y158-V179 HydrophobicContact CE2-CB 4.2Å; Y158-V179 HydrophobicContact CE2-CG1 3.99Å; L166-V179 HydrophobicContact CB-CG2 3.94Å; L166-V179 HydrophobicContact CD1-CG2 4.38Å; P167-V179 HydrophobicContact CG-CG1 4.21Å; L169-V179 HydrophobicContact CD1-CG1 3.67Å; L169-V179 HydrophobicContact CG-CG1 4.29Å
180	S	96.5	Very high	94.5	Very high	24 Å²	24	49.4 Å²	49.4	17%	0.168	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	168.3	-178.5	56.3	0	0	0	0	111.1	I156 Y158 L166 D184	I156-S180 PolarHBondContact O-N 3.26Å; Y158-S180 PolarHBondContact N-O 3.38Å; L166-S180 WeakPolarHBondContact CD2-O 3.4Å; S180-D184 VanDerWaalsContact CB-OD2 3.24Å; S180-D184 WeakPolarHBondContact CB-OD2 3Å
181	G	93.9	Very high	94.6	Very high	1 Å²	1	46.2 Å²	46.2	1%	0.01	25%	0.253	C	S	.	.			trans	-153.6	-150.5	-176.8	0	0	0	0	0	112.6	Y157 K161 G183 D184	Y157-G181 WeakPolarHBondContact CE2-O 3.17Å; Y157-G181 PolarHBondContact OH-O 2.94Å; K161-G181 CarbonylContact O-C 3.41Å; K161-G181 WeakPolarHBondContact O-CA 3.42Å; G181-G183 PolarHBondContact O-N 3.06Å; G181-D184 PolarHBondContact N-OD2 2.86Å; G181-D184 VanDerWaalsContact N-OD2 3.12Å; G181-D184 WeakPolarHBondContact O-CB 3.05Å; G181-D184 PolarHBondContact O-N 2.81Å
182	N	88	Confident	94.7	Very high	61 Å²	61	41.6 Å²	41.6	33%	0.326	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.8	125.2	-179.7	-72.3	-11.9	0	0	0	111.7	G160 K161 F162	G160-N182 VanDerWaalsContact C-ND2 3.35Å; G160-N182 WeakPolarHBondContact CA-OD1 3.47Å; G160-N182 PolarHBondContact N-OD1 3.22Å; G160-N182 VanDerWaalsContact N-OD1 3.12Å; G160-N182 PolarHBondContact O-ND2 3.48Å; G160-N182 VanDerWaalsContact O-ND2 3.13Å; K161-N182 WeakPolarHBondContact O-CB 3.37Å; K161-N182 PolarHBondContact O-N 3.2Å; F162-N182 HydrophobicContact CD1-CB 4.21Å; F162-N182 HydrophobicContact CE1-CB 4.25Å
183	G	83.5	Confident	94.7	Very high	83 Å²	83	41.5 Å²	41.5	86%	0.856	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	105	-19.2	-177.5	0	0	0	0	0	113.6	G181	G181-G183 PolarHBondContact O-N 3.06Å
184	D	88.8	Confident	94.5	Very high	90 Å²	90	41.1 Å²	41.1	48%	0.481	23%	0.23	S	C	.	.	S	Bend	trans	-90.1	163.2	175.8	-62.1	-62.8	0	0	0	112.4	Y157 S180 G181 I186	Y157-D184 HydrophobicContact CD2-CB 4.28Å; Y157-D184 HydrophobicContact CE2-CB 3.98Å; Y157-D184 WeakPolarHBondContact CE2-O 3.3Å; S180-D184 VanDerWaalsContact CB-OD2 3.24Å; S180-D184 WeakPolarHBondContact CB-OD2 3Å; G181-D184 PolarHBondContact N-OD2 2.86Å; G181-D184 VanDerWaalsContact N-OD2 3.12Å; G181-D184 WeakPolarHBondContact O-CB 3.05Å; G181-D184 PolarHBondContact O-N 2.81Å; D184-I186 PolarHBondContact O-N 3.18Å
185	N	90.3	Very high	94.2	Very high	86 Å²	86	43.7 Å²	43.7	46%	0.46	24%	0.242	S	C	.	.			trans	-80.2	101.6	179.6	-172.4	-6.4	0	0	0	111.9	Q187 Q188	N185-Q187 PolarHBondContact O-N 3.36Å; N185-Q187 VanDerWaalsContact O-N 3.13Å; N185-Q187 VanDerWaalsContact OD1-CB 3.26Å; N185-Q187 WeakPolarHBondContact OD1-CB 3.15Å; N185-Q187 PolarHBondContact OD1-N 3.17Å; N185-Q188 HydrophobicContact CB-CG 4.37Å; N185-Q188 PolarHBondContact O-N 3.16Å; N185-Q188 VanDerWaalsContact O-N 3.12Å
186	I	92.5	Very high	93.8	Very high	23 Å²	23	40 Å²	40	12%	0.118	23%	0.233	C	C	.	.	G	3₁₀ helix	trans	-52.8	-31.3	173.9	-168.7	170.9	0	0	0	113.5	Y157 D184 Q188 A189 V192 L203 Q209	Y157-I186 HydrophobicContact CD1-CB 4.18Å; Y157-I186 HydrophobicContact CD1-CD1 4.05Å; Y157-I186 HydrophobicContact CD1-CG1 3.77Å; Y157-I186 HydrophobicContact CD2-CB 4.36Å; Y157-I186 HydrophobicContact CE1-CB 4.03Å; Y157-I186 HydrophobicContact CE1-CD1 3.9Å; Y157-I186 HydrophobicContact CE1-CG1 3.92Å; Y157-I186 HydrophobicContact CE2-CB 4.2Å; Y157-I186 HydrophobicContact CG-CB 4.35Å; Y157-I186 HydrophobicContact CG-CG1 4.18Å; D184-I186 PolarHBondContact O-N 3.18Å; I186-Q188 PolarHBondContact O-N 2.92Å; I186-A189 WeakPolarHBondContact O-CB 3Å; I186-A189 PolarHBondContact O-N 3.35Å; I186-A189 VanDerWaalsContact O-N 3.13Å; I186-V192 HydrophobicContact CD1-CG1 3.95Å; I186-V192 HydrophobicContact CD1-CG2 4.47Å; I186-V192 HydrophobicContact CG1-CG1 4.2Å; I186-V192 HydrophobicContact CG1-CG2 3.94Å; I186-L203 HydrophobicContact CD1-CD1 4.31Å; I186-L203 HydrophobicContact CD1-CD2 4.3Å; I186-Q209 PolarHBondContact O-NE2 3.08Å
187	Q	92.5	Very high	93.1	Very high	79 Å²	79	43.4 Å²	43.4	37%	0.369	25%	0.251	S	S	.	.	G	3₁₀ helix	trans	-70.7	-17.5	-177	-60.6	-66.1	8.8	0	0	113.8	N185 N204	N185-Q187 PolarHBondContact O-N 3.36Å; N185-Q187 VanDerWaalsContact O-N 3.13Å; N185-Q187 VanDerWaalsContact OD1-CB 3.26Å; N185-Q187 WeakPolarHBondContact OD1-CB 3.15Å; N185-Q187 PolarHBondContact OD1-N 3.17Å; Q187-N204 PolarHBondContact NE2-O 2.65Å; Q187-N204 PolarHBondContact OE1-O 3.46Å; Q187-N204 VanDerWaalsContact OE1-O 3.11Å
188	Q	93.3	Very high	92.4	Very high	111 Å²	111	43.5 Å²	43.5	52%	0.519	25%	0.252	S	S	.	.	G	3₁₀ helix	trans	-87.7	-9.2	175.5	-71.6	-175	1	0	0	112.6	R155 N185 I186	R155-Q188 WeakPolarHBondContact CD-O 3.33Å; R155-Q188 PolarHBondContact NE-O 2.82Å; R155-Q188 PolarHBondContact NH1-O 3.18Å; R155-Q188 PolarHBondContact NH2-O 3.49Å; N185-Q188 HydrophobicContact CB-CG 4.37Å; N185-Q188 PolarHBondContact O-N 3.16Å; N185-Q188 VanDerWaalsContact O-N 3.12Å; I186-Q188 PolarHBondContact O-N 2.92Å
189	A	96.1	Very high	91.5	Very high	6 Å²	6	40.7 Å²	40.7	5%	0.05	25%	0.246	C	C	.	.			trans	-70.4	142	-177.9	0	0	0	0	0	112.1	I186 V192 Q209	I186-A189 WeakPolarHBondContact O-CB 3Å; I186-A189 PolarHBondContact O-N 3.35Å; I186-A189 VanDerWaalsContact O-N 3.13Å; A189-V192 HydrophobicContact CB-CG2 3.86Å; A189-Q209 WeakPolarHBondContact O-CG 3.36Å; A189-Q209 PolarHBondContact O-NE2 3.14Å
190	D	97	Very high	89.6	Confident	31 Å²	31	47.7 Å²	47.7	17%	0.166	28%	0.281	C	S	.	.	S	Bend	trans	-81.6	-36.9	169.5	-56.5	-70.7	0	0	0	110	K154 R155 S210	K154-D190 HydrophobicContact CD-CB 4.48Å; R155-D190 WeakPolarHBondContact CB-OD2 3.42Å; R155-D190 PolarHBondContact N-OD2 3.09Å; R155-D190 IonicContact NE-OD2 2.72Å; R155-D190 PolarHBondContact NE-OD2 2.9Å; R155-D190 IonicContact NH2-OD1 3.33Å; R155-D190 PolarHBondContact O-N 3.04Å; D190-S210 PolarHBondContact O-N 3.16Å
191	L	97.8	Very high	87.6	Confident	0 Å²	0	51 Å²	51	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	128.8	174.4	-178.4	64.4	0	0	0	110.4	R155 I156 Y157 V193 S210 L212 F233 A432 I435	R155-L191 PolarHBondContact O-N 3.16Å; R155-L191 VanDerWaalsContact O-N 3.13Å; I156-L191 CarbonylContact C-O 3.19Å; I156-L191 VanDerWaalsContact CA-O 3.32Å; I156-L191 WeakPolarHBondContact CA-O 3.26Å; I156-L191 HydrophobicContact CG1-CB 4.43Å; I156-L191 HydrophobicContact CG2-CD2 4.49Å; Y157-L191 PolarHBondContact N-O 3.42Å; L191-V193 HydrophobicContact CG-CG2 4.48Å; L191-S210 CarbonylContact C-O 3.53Å; L191-S210 WeakPolarHBondContact CA-O 3.4Å; L191-L212 HydrophobicContact CD1-CB 3.92Å; L191-F233 HydrophobicContact CD1-CD2 4.45Å; L191-A432 HydrophobicContact CB-CB 4.4Å; L191-A432 HydrophobicContact CD2-CB 4.32Å; L191-I435 HydrophobicContact CD1-CD1 4.19Å
192	V	96.7	Very high	86.1	Confident	0 Å²	0	58.3 Å²	58.3	0%	0	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	128.2	173.7	-176.9	0	0	0	0	109.2	Y157 I186 A189 F194 Q209 S210 W211 L212	Y157-V192 HydrophobicContact CD1-CG1 4.17Å; Y157-V192 CarbonylContact O-C 3.15Å; Y157-V192 WeakPolarHBondContact O-CA 3.36Å; I186-V192 HydrophobicContact CD1-CG1 3.95Å; I186-V192 HydrophobicContact CD1-CG2 4.47Å; I186-V192 HydrophobicContact CG1-CG1 4.2Å; I186-V192 HydrophobicContact CG1-CG2 3.94Å; A189-V192 HydrophobicContact CB-CG2 3.86Å; V192-F194 HydrophobicContact CB-CE2 4.03Å; V192-F194 HydrophobicContact CB-CZ 4.28Å; V192-F194 HydrophobicContact CG1-CD1 4.49Å; V192-F194 HydrophobicContact CG1-CD2 4.12Å; V192-F194 HydrophobicContact CG1-CE1 3.88Å; V192-F194 HydrophobicContact CG1-CE2 3.47Å; V192-F194 VanDerWaalsContact CG1-CE2 3.47Å; V192-F194 HydrophobicContact CG1-CZ 3.35Å; V192-Q209 HydrophobicContact CG2-CG 3.88Å; V192-S210 PolarHBondContact N-O 3.47Å; V192-W211 HydrophobicContact CB-CG 4.47Å; V192-L212 PolarHBondContact O-N 3.47Å
193	V	96.9	Very high	85.2	Confident	0 Å²	0	57.3 Å²	57.3	0%	0	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	119.8	179.5	-178.6	0	0	0	0	109.4	I156 Y157 Y158 H159 L191 L212 Y214 L428	I156-V193 HydrophobicContact CG2-CG2 3.85Å; Y157-V193 PolarHBondContact O-N 2.61Å; Y158-V193 HydrophobicContact CD1-CB 3.81Å; Y158-V193 HydrophobicContact CD1-CG1 3.84Å; Y158-V193 HydrophobicContact CD1-CG2 4.24Å; Y158-V193 HydrophobicContact CE1-CB 4.05Å; Y158-V193 HydrophobicContact CE1-CG1 3.95Å; Y158-V193 HydrophobicContact CE1-CG2 4.03Å; Y158-V193 HydrophobicContact CG-CB 4.37Å; H159-V193 WeakPolarHBondContact CB-O 3.27Å; H159-V193 PolarHBondContact N-O 2.88Å; L191-V193 HydrophobicContact CG-CG2 4.48Å; V193-L212 CarbonylContact C-O 3.57Å; V193-L212 WeakPolarHBondContact CA-O 3.26Å; V193-L212 HydrophobicContact CB-CD2 4.47Å; V193-L212 HydrophobicContact CG1-CD2 3.92Å; V193-L212 HydrophobicContact CG2-CD2 4.21Å; V193-Y214 HydrophobicContact CG1-CG 4.36Å; V193-L428 HydrophobicContact CG2-CD1 4.49Å
194	F	94.6	Very high	85.2	Confident	0 Å²	0	59.6 Å²	59.6	0%	0	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	114.9	176.5	-63.3	-77.6	0	0	0	110.9	H159 V192 P198 L203 W211 L212 I213 Y214 M226	H159-F194 HydrophobicContact CB-CD1 3.62Å; H159-F194 HydrophobicContact CB-CE1 3.86Å; H159-F194 AromaticContact CD2-CD1 3.95Å; H159-F194 AromaticContact CG-CD1 3.7Å; H159-F194 AromaticContact CG-CE1 3.77Å; H159-F194 AromaticContact ND1-CE1 3.99Å; V192-F194 HydrophobicContact CB-CE2 4.03Å; V192-F194 HydrophobicContact CB-CZ 4.28Å; V192-F194 HydrophobicContact CG1-CD1 4.49Å; V192-F194 HydrophobicContact CG1-CD2 4.12Å; V192-F194 HydrophobicContact CG1-CE1 3.88Å; V192-F194 HydrophobicContact CG1-CE2 3.47Å; V192-F194 VanDerWaalsContact CG1-CE2 3.47Å; V192-F194 HydrophobicContact CG1-CZ 3.35Å; F194-P198 HydrophobicContact CD1-CB 3.9Å; F194-P198 HydrophobicContact CD1-CG 4.48Å; F194-P198 HydrophobicContact CE1-CB 3.61Å; F194-P198 HydrophobicContact CE1-CG 4.4Å; F194-P198 HydrophobicContact CZ-CB 4.41Å; F194-L203 HydrophobicContact CE1-CD1 4.2Å; F194-L203 HydrophobicContact CZ-CD1 4.18Å; F194-W211 HydrophobicContact CD2-CB 4.38Å; F194-W211 HydrophobicContact CE2-CB 3.87Å; F194-W211 AromaticContact CE2-CD2 3.46Å; F194-W211 HydrophobicContact CE2-CD2 3.46Å; F194-W211 VanDerWaalsContact CE2-CD2 3.46Å; F194-W211 AromaticContact CE2-CE3 3.64Å; F194-W211 HydrophobicContact CE2-CE3 3.64Å; F194-W211 AromaticContact CE2-CG 3.57Å; F194-W211 HydrophobicContact CE2-CG 3.57Å; F194-W211 HydrophobicContact CE2-CZ3 4.36Å; F194-W211 AromaticContact CZ-CD2 3.9Å; F194-W211 HydrophobicContact CZ-CD2 3.9Å; F194-W211 HydrophobicContact CZ-CE3 4.03Å; F194-W211 HydrophobicContact CZ-CG 4.35Å; F194-W211 HydrophobicContact CZ-CZ2 4.35Å; F194-W211 HydrophobicContact CZ-CZ3 4.33Å; F194-L212 PolarHBondContact N-O 3.18Å; F194-I213 CarbonylContact O-C 3.55Å; F194-I213 WeakPolarHBondContact O-CA 3.32Å; F194-Y214 PolarHBondContact O-N 2.7Å; F194-M226 HydrophobicContact CB-CE 4.05Å; F194-M226 HydrophobicContact CD2-CE 3.91Å; F194-M226 HydrophobicContact CG-CE 3.91Å
195	E	92.1	Very high	85.3	Confident	57 Å²	57	57.9 Å²	57.9	27%	0.266	32%	0.315	S	S	.	.	S	Bend	trans	-93.9	-13.4	173	-69.6	176.7	-167.2	0	0	112.9	K161 Y214	K161-E195 WeakPolarHBondContact CE-OE1 3.29Å; K161-E195 VanDerWaalsContact CE-OE2 3.23Å; K161-E195 WeakPolarHBondContact CE-OE2 3.34Å; K161-E195 IonicContact NZ-OE1 2.88Å; K161-E195 PolarHBondContact NZ-OE1 3.39Å; K161-E195 IonicContact NZ-OE2 2.6Å; E195-Y214 WeakPolarHBondContact CA-O 3.21Å; E195-Y214 HydrophobicContact CG-CD1 4.08Å; E195-Y214 HydrophobicContact CG-CG 4.33Å
196	S	88.3	Confident	85.4	Confident	37 Å²	37	56 Å²	56	26%	0.259	31%	0.307	S	S	.	.	S	Bend	trans	-145	176.6	178.7	63	0	0	0	0	110.4
197	N	84.4	Confident	85.2	Confident	75 Å²	75	66.4 Å²	66.4	40%	0.401	35%	0.345	S	S	.	.			trans	-54.3	130.4	172.3	-167.3	-34.6	0	0	0	110.1	G199 F224	N197-G199 PolarHBondContact O-N 3.02Å; N197-G199 VanDerWaalsContact O-N 3.16Å; N197-G199 PolarHBondContact OD1-N 3.49Å; N197-F224 HydrophobicContact CB-CB 4.05Å
198	P	82.5	Confident	85.1	Confident	11 Å²	11	69.3 Å²	69.3	7%	0.071	36%	0.363	C	S	.	.			trans	-65.9	-6.8	173.6	26.2	-35.3	0	0	0	114.9	F194 T201 L203 M226	F194-P198 HydrophobicContact CD1-CB 3.9Å; F194-P198 HydrophobicContact CD1-CG 4.48Å; F194-P198 HydrophobicContact CE1-CB 3.61Å; F194-P198 HydrophobicContact CE1-CG 4.4Å; F194-P198 HydrophobicContact CZ-CB 4.41Å; P198-T201 PolarHBondContact O-OG1 3.38Å; P198-L203 HydrophobicContact CB-CD1 3.85Å; P198-M226 WeakPolarHBondContact CD-SD 2.91Å; P198-M226 HydrophobicContact CG-CE 4.12Å; P198-M226 HydrophobicContact CG-SD 4.28Å
199	G	79.2	Confident	85.2	Confident	40 Å²	40	64.3 Å²	64.3	41%	0.412	34%	0.34	S	S	.	.			trans	80.6	172.1	-170	0	0	0	0	0	112.3	N197 T201	N197-G199 PolarHBondContact O-N 3.02Å; N197-G199 VanDerWaalsContact O-N 3.16Å; N197-G199 PolarHBondContact OD1-N 3.49Å; G199-T201 PolarHBondContact O-N 3.17Å
200	L	56.5	Low	85.2	Confident	187 Å²	187	64.5 Å²	64.5	98%	0.979	34%	0.34	S	S	*	.	S	Bend	trans	-67.2	11	179.1	-68.2	173.3	0	0	0	114.3	D202	L200-D202 PolarHBondContact O-N 3.03Å
201	T	55.9	Low	85.1	Confident	94 Å²	94	63.2 Å²	63.2	58%	0.577	33%	0.333	S	S	*	.			trans	-71.3	129.1	-173.6	1	0	0	0	0	110.8	P198 G199 L203	P198-T201 PolarHBondContact O-OG1 3.38Å; G199-T201 PolarHBondContact O-N 3.17Å; T201-L203 PolarHBondContact O-N 3.37Å
202	D	60.7	Low	85.1	Confident	154 Å²	154	63.2 Å²	63.2	82%	0.824	33%	0.333	S	S	*	.			trans	-56.4	64.1	165.6	-71.3	-45.5	0	0	0	111.6	L200 N204	L200-D202 PolarHBondContact O-N 3.03Å; D202-N204 PolarHBondContact O-N 3.43Å
203	L	69.5	Low	85.1	Confident	40 Å²	40	63.2 Å²	63.2	21%	0.209	33%	0.333	C	S	.	.			trans	-70.7	88.2	172.2	-69.3	-178.9	0	0	0	107	I186 F194 P198 T201 K205 W211	I186-L203 HydrophobicContact CD1-CD1 4.31Å; I186-L203 HydrophobicContact CD1-CD2 4.3Å; F194-L203 HydrophobicContact CE1-CD1 4.2Å; F194-L203 HydrophobicContact CZ-CD1 4.18Å; P198-L203 HydrophobicContact CB-CD1 3.85Å; T201-L203 PolarHBondContact O-N 3.37Å; L203-K205 VanDerWaalsContact C-N 3.33Å; L203-K205 PolarHBondContact O-N 3.35Å; L203-W211 HydrophobicContact CB-CH2 3.56Å; L203-W211 HydrophobicContact CB-CZ2 3.72Å; L203-W211 HydrophobicContact CD1-CH2 4.04Å; L203-W211 HydrophobicContact CD1-CZ2 4.2Å; L203-W211 HydrophobicContact CG-CH2 4.47Å
204	N	84.2	Confident	85	Confident	131 Å²	131	65.4 Å²	65.4	70%	0.701	34%	0.342	S	S	*	.			trans	-59.2	99	165.8	-79.4	-34.2	0	0	0	107.8	Q187 D202 P206	Q187-N204 PolarHBondContact NE2-O 2.65Å; Q187-N204 PolarHBondContact OE1-O 3.46Å; Q187-N204 VanDerWaalsContact OE1-O 3.11Å; D202-N204 PolarHBondContact O-N 3.43Å; N204-P206 VanDerWaalsContact O-CD 3.27Å; N204-P206 WeakPolarHBondContact O-CD 3.39Å
205	K	90.1	Very high	84.9	Confident	54 Å²	54	66.1 Å²	66.1	24%	0.235	35%	0.345	C	S	.	.			trans	-71.1	116.3	179.7	-178.8	179.8	174.1	-164.8	0	109.9	L203 Q209 W211 L230 N232	L203-K205 VanDerWaalsContact C-N 3.33Å; L203-K205 PolarHBondContact O-N 3.35Å; K205-Q209 WeakPolarHBondContact CE-O 3.43Å; K205-W211 HydrophobicContact CB-CH2 4.37Å; K205-W211 HydrophobicContact CB-CZ2 3.73Å; K205-W211 HydrophobicContact CD-CD2 3.91Å; K205-W211 HydrophobicContact CD-CG 4.02Å; K205-W211 HydrophobicContact CD-CZ2 4.34Å; K205-W211 HydrophobicContact CG-CD2 4.37Å; K205-W211 HydrophobicContact CG-CZ2 4.09Å; K205-L230 HydrophobicContact CD-CD2 4.28Å; K205-L230 PolarHBondContact NZ-O 3.3Å; K205-N232 WeakPolarHBondContact CE-OD1 3.1Å; K205-N232 PolarHBondContact NZ-OD1 3.27Å
206	P	92.2	Very high	85	Confident	45 Å²	45	66.2 Å²	66.2	29%	0.292	35%	0.347	S	S	.	.			trans	-61.1	148.8	175.9	-22.6	35	0	0	0	111.6	N204 N208 Q209	N204-P206 VanDerWaalsContact O-CD 3.27Å; N204-P206 WeakPolarHBondContact O-CD 3.39Å; P206-N208 PolarHBondContact O-N 2.88Å; P206-N208 VanDerWaalsContact O-N 3.16Å; P206-Q209 HydrophobicContact CB-CB 4.07Å; P206-Q209 HydrophobicContact CG-CB 4.24Å; P206-Q209 WeakPolarHBondContact O-CB 3.38Å; P206-Q209 PolarHBondContact O-N 3.12Å
207	R	88.9	Confident	85.2	Confident	242 Å²	242	67.1 Å²	67.1	91%	0.913	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58	-33.2	-175.3	-172.5	176.7	179.8	177.9	0.4	114.2
208	N	91.1	Very high	85.7	Confident	140 Å²	140	63.5 Å²	63.5	75%	0.749	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.7	9	-178	-62.9	-11.5	0	0	0	113.1	P206	P206-N208 PolarHBondContact O-N 2.88Å; P206-N208 VanDerWaalsContact O-N 3.16Å
209	Q	94.5	Very high	86.1	Confident	7 Å²	7	63.3 Å²	63.3	3%	0.033	33%	0.326	C	S	.	.			trans	-98.2	138.1	176.8	178.5	173.1	96.9	0	0	109.9	I186 A189 V192 K205 P206	I186-Q209 PolarHBondContact O-NE2 3.08Å; A189-Q209 WeakPolarHBondContact O-CG 3.36Å; A189-Q209 PolarHBondContact O-NE2 3.14Å; V192-Q209 HydrophobicContact CG2-CG 3.88Å; K205-Q209 WeakPolarHBondContact CE-O 3.43Å; P206-Q209 HydrophobicContact CB-CB 4.07Å; P206-Q209 HydrophobicContact CG-CB 4.24Å; P206-Q209 WeakPolarHBondContact O-CB 3.38Å; P206-Q209 PolarHBondContact O-N 3.12Å
210	S	96	Very high	86.6	Confident	9 Å²	9	67.6 Å²	67.6	6%	0.063	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	145.3	171.9	-67.9	0	0	0	0	111.6	D190 L191 V192 N232	D190-S210 PolarHBondContact O-N 3.16Å; L191-S210 CarbonylContact C-O 3.53Å; L191-S210 WeakPolarHBondContact CA-O 3.4Å; V192-S210 PolarHBondContact N-O 3.47Å; S210-N232 VanDerWaalsContact CA-OD1 3.24Å; S210-N232 WeakPolarHBondContact CA-OD1 3.29Å
211	W	96.3	Very high	87.9	Confident	5 Å²	5	63.4 Å²	63.4	2%	0.019	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	136.7	176	-70.8	5.9	0	0	0	110.1	V192 F194 L203 K205 P227 L230 I231 N232 F233	V192-W211 HydrophobicContact CB-CG 4.47Å; F194-W211 HydrophobicContact CD2-CB 4.38Å; F194-W211 HydrophobicContact CE2-CB 3.87Å; F194-W211 AromaticContact CE2-CD2 3.46Å; F194-W211 HydrophobicContact CE2-CD2 3.46Å; F194-W211 VanDerWaalsContact CE2-CD2 3.46Å; F194-W211 AromaticContact CE2-CE3 3.64Å; F194-W211 HydrophobicContact CE2-CE3 3.64Å; F194-W211 AromaticContact CE2-CG 3.57Å; F194-W211 HydrophobicContact CE2-CG 3.57Å; F194-W211 HydrophobicContact CE2-CZ3 4.36Å; F194-W211 AromaticContact CZ-CD2 3.9Å; F194-W211 HydrophobicContact CZ-CD2 3.9Å; F194-W211 HydrophobicContact CZ-CE3 4.03Å; F194-W211 HydrophobicContact CZ-CG 4.35Å; F194-W211 HydrophobicContact CZ-CZ2 4.35Å; F194-W211 HydrophobicContact CZ-CZ3 4.33Å; L203-W211 HydrophobicContact CB-CH2 3.56Å; L203-W211 HydrophobicContact CB-CZ2 3.72Å; L203-W211 HydrophobicContact CD1-CH2 4.04Å; L203-W211 HydrophobicContact CD1-CZ2 4.2Å; L203-W211 HydrophobicContact CG-CH2 4.47Å; K205-W211 HydrophobicContact CB-CH2 4.37Å; K205-W211 HydrophobicContact CB-CZ2 3.73Å; K205-W211 HydrophobicContact CD-CD2 3.91Å; K205-W211 HydrophobicContact CD-CG 4.02Å; K205-W211 HydrophobicContact CD-CZ2 4.34Å; K205-W211 HydrophobicContact CG-CD2 4.37Å; K205-W211 HydrophobicContact CG-CZ2 4.09Å; W211-P227 HydrophobicContact CZ3-CG 4.01Å; W211-L230 HydrophobicContact CE3-CB 3.99Å; W211-L230 HydrophobicContact CH2-CD1 4.25Å; W211-L230 HydrophobicContact CZ3-CB 4.07Å; W211-L230 HydrophobicContact CZ3-CD1 3.9Å; W211-I231 HydrophobicContact CB-CD1 3.82Å; W211-I231 HydrophobicContact CE3-CD1 3.85Å; W211-N232 PolarHBondContact N-OD1 3.33Å; W211-N232 WeakPolarHBondContact O-CA 3.48Å; W211-N232 WeakPolarHBondContact O-CB 3.38Å; W211-N232 PolarHBondContact O-N 3.35Å; W211-F233 PolarHBondContact O-N 2.92Å; W211-F233 VanDerWaalsContact O-N 3.08Å
212	L	97.1	Very high	89.2	Confident	0 Å²	0	64.1 Å²	64.1	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	136.9	178.2	175.4	148.8	0	0	0	109.4	L191 V192 V193 F194 F233 A235 L428 L431	L191-L212 HydrophobicContact CD1-CB 3.92Å; V192-L212 PolarHBondContact O-N 3.47Å; V193-L212 CarbonylContact C-O 3.57Å; V193-L212 WeakPolarHBondContact CA-O 3.26Å; V193-L212 HydrophobicContact CB-CD2 4.47Å; V193-L212 HydrophobicContact CG1-CD2 3.92Å; V193-L212 HydrophobicContact CG2-CD2 4.21Å; F194-L212 PolarHBondContact N-O 3.18Å; L212-F233 VanDerWaalsContact CA-O 3.25Å; L212-F233 WeakPolarHBondContact CA-O 3.38Å; L212-F233 HydrophobicContact CB-CB 4.11Å; L212-F233 HydrophobicContact CD1-CB 3.73Å; L212-F233 HydrophobicContact CG-CB 4.11Å; L212-A235 HydrophobicContact CD1-CB 4.24Å; L212-A235 HydrophobicContact CD2-CB 3.81Å; L212-A235 HydrophobicContact CG-CB 4.41Å; L212-L428 HydrophobicContact CD1-CD2 3.43Å; L212-L428 VanDerWaalsContact CD1-CD2 3.43Å; L212-L428 HydrophobicContact CD2-CD2 4.06Å; L212-L428 HydrophobicContact CG-CD2 4.42Å; L212-L431 HydrophobicContact CD1-CD2 3.8Å
213	I	95.9	Very high	90.2	Very high	0 Å²	0	61.3 Å²	61.3	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	134.6	165.8	59.5	163	0	0	0	109.8	F194 F224 M226 I231 F233 T234 A235 V447 R451	F194-I213 CarbonylContact O-C 3.55Å; F194-I213 WeakPolarHBondContact O-CA 3.32Å; I213-F224 HydrophobicContact CG2-CE2 4.39Å; I213-M226 HydrophobicContact CG2-CE 3.98Å; I213-M226 HydrophobicContact CG2-CG 3.87Å; I213-M226 HydrophobicContact CG2-SD 4.33Å; I213-I231 HydrophobicContact CG1-CG2 4.35Å; I213-I231 HydrophobicContact CG2-CD1 4.16Å; I213-I231 HydrophobicContact CG2-CG1 4.19Å; I213-I231 HydrophobicContact CG2-CG2 4.04Å; I213-F233 PolarHBondContact N-O 3.11Å; I213-F233 VanDerWaalsContact N-O 3.15Å; I213-T234 HydrophobicContact CD1-CG2 4Å; I213-T234 HydrophobicContact CG1-CG2 3.77Å; I213-A235 PolarHBondContact O-N 3.19Å; I213-V447 HydrophobicContact CD1-CG2 3.49Å; I213-V447 VanDerWaalsContact CD1-CG2 3.49Å; I213-V447 HydrophobicContact CG1-CG2 4.13Å; I213-R451 HydrophobicContact CD1-CG 4.17Å
214	Y	95.9	Very high	90.9	Very high	45 Å²	45	60.4 Å²	60.4	18%	0.176	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	119.4	174.3	-174.6	-69.6	0	0	0	109.1	V193 F194 E195 I216 A235 T245 L428	V193-Y214 HydrophobicContact CG1-CG 4.36Å; F194-Y214 PolarHBondContact O-N 2.7Å; E195-Y214 WeakPolarHBondContact CA-O 3.21Å; E195-Y214 HydrophobicContact CG-CD1 4.08Å; E195-Y214 HydrophobicContact CG-CG 4.33Å; Y214-I216 HydrophobicContact CE1-CG2 4.22Å; Y214-A235 CarbonylContact C-O 3.58Å; Y214-A235 VanDerWaalsContact CA-O 3.29Å; Y214-A235 WeakPolarHBondContact CA-O 3.47Å; Y214-A235 HydrophobicContact CD2-CB 3.62Å; Y214-A235 HydrophobicContact CE2-CB 4.29Å; Y214-A235 HydrophobicContact CG-CB 4.21Å; Y214-T245 HydrophobicContact CE2-CG2 4.34Å; Y214-T245 WeakPolarHBondContact OH-CG2 3.48Å; Y214-L428 HydrophobicContact CD2-CD1 4.14Å; Y214-L428 HydrophobicContact CE2-CD1 4.33Å
215	H	92	Very high	91	Very high	15 Å²	15	57 Å²	57	7%	0.069	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.9	127.4	-176	-166.5	-106.2	0	0	0	113.5	E217 Y222 F224 A235 T236 R451	H215-E217 WeakPolarHBondContact CE1-CB 3.16Å; H215-E217 PolarHBondContact CE1-N 2.95Å; H215-E217 PolarHBondContact CE1-O 2.66Å; H215-E217 PolarHBondContact ND1-N 2.84Å; H215-E217 PolarHBondContact ND1-O 3.14Å; H215-Y222 AromaticContact CD2-CD1 3.83Å; H215-Y222 AromaticContact CE1-CD1 3.9Å; H215-Y222 AromaticContact NE2-CD1 3.02Å; H215-Y222 WeakPolarHBondContact NE2-CD1 3.23Å; H215-Y222 AromaticContact NE2-CE1 3.83Å; H215-Y222 AromaticContact NE2-CG 3.63Å; H215-F224 AromaticContact CD2-CE1 3.82Å; H215-A235 PolarHBondContact N-O 2.71Å; H215-T236 HydrophobicContact CB-CG2 4.41Å; H215-T236 WeakPolarHBondContact O-CA 3.49Å; H215-T236 WeakPolarHBondContact O-CB 3.35Å; H215-R451 PolarHBondContact ND1-NH2 2.7Å
216	I	93.4	Very high	91	Very high	60 Å²	60	55 Å²	55	31%	0.308	27%	0.267	S	S	.	.			trans	-104.1	-15.3	179.9	64.9	172.1	0	0	0	113.8	Y214 Y237 T245 Y247 Y345	Y214-I216 HydrophobicContact CE1-CG2 4.22Å; I216-Y237 WeakPolarHBondContact O-CD1 3.5Å; I216-T245 HydrophobicContact CG2-CG2 3.95Å; I216-Y247 HydrophobicContact CB-CE2 4.15Å; I216-Y247 HydrophobicContact CD1-CE1 3.87Å; I216-Y247 VanDerWaalsContact O-CE2 3.23Å; I216-Y247 WeakPolarHBondContact O-CE2 3.43Å; I216-Y247 PolarHBondContact O-OH 3.32Å; I216-Y345 WeakPolarHBondContact O-CE2 3.42Å
217	E	93.8	Very high	90.8	Very high	55 Å²	55	55.2 Å²	55.2	26%	0.257	27%	0.268	S	S	.	.	S	Bend	trans	-81.5	158.1	177.4	-77.1	-70.4	169.4	0	0	111.7	H215 H221 Y237 Y247 Y345	H215-E217 WeakPolarHBondContact CE1-CB 3.16Å; H215-E217 PolarHBondContact CE1-N 2.95Å; H215-E217 PolarHBondContact CE1-O 2.66Å; H215-E217 PolarHBondContact ND1-N 2.84Å; H215-E217 PolarHBondContact ND1-O 3.14Å; E217-H221 IonicContact OE2-CD2 3.51Å; E217-H221 PolarHBondContact OE2-CD2 3.08Å; E217-H221 VanDerWaalsContact OE2-CD2 3.3Å; E217-Y237 WeakPolarHBondContact O-CE1 3.36Å; E217-Y247 PolarHBondContact OE1-OH 2.91Å; E217-Y345 PolarHBondContact OE2-OH 2.99Å
218	S	93.5	Very high	90.9	Very high	0 Å²	0	50 Å²	50	0%	0	25%	0.252	C	S	.	.			trans	-68.2	148.8	175.8	82.3	0	0	0	0	110.9	R220 H221 Y222 S340	S218-R220 PolarHBondContact O-N 2.87Å; S218-H221 PolarHBondContact O-N 3.45Å; S218-H221 WeakPolarHBondContact OG-CB 3.4Å; S218-H221 PolarHBondContact OG-N 3.02Å; S218-H221 VanDerWaalsContact OG-N 3.1Å; S218-Y222 PolarHBondContact O-N 3.43Å; S218-S340 VanDerWaalsContact OG-CB 3.3Å; S218-S340 WeakPolarHBondContact OG-CB 3.33Å; S218-S340 PolarHBondContact OG-OG 2.96Å
219	P	91.6	Very high	91	Very high	6 Å²	6	47.5 Å²	47.5	4%	0.039	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-16.8	177.7	30.5	-36.9	0	0	0	112.7	S223 Y237 R451 M452 C455	P219-S223 WeakPolarHBondContact O-CB 3.44Å; P219-Y237 VanDerWaalsContact CD-OH 3.22Å; P219-Y237 WeakPolarHBondContact CD-OH 3.26Å; P219-R451 HydrophobicContact CB-CB 4.19Å; P219-R451 HydrophobicContact CG-CB 4.47Å; P219-M452 HydrophobicContact CB-SD 3.76Å; P219-M452 HydrophobicContact CG-SD 4.34Å; P219-C455 WeakPolarHBondContact CG-SG 3.27Å
220	R	89	Confident	90.8	Very high	131 Å²	131	50 Å²	50	49%	0.494	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.6	-25.8	171.2	-70.5	-77.9	-171.4	173.4	-0	112.9	S218 S340 C455	S218-R220 PolarHBondContact O-N 2.87Å; R220-S340 WeakPolarHBondContact CB-OG 3.34Å; R220-C455 HydrophobicContact CG-CB 3.67Å; R220-C455 PolarHBondContact NH2-O 3.19Å
221	H	84.3	Confident	90.7	Very high	98 Å²	98	49.6 Å²	49.6	45%	0.454	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.2	-40.2	179.3	-168.7	51.2	0	0	0	111.9	E217 S218	E217-H221 IonicContact OE2-CD2 3.51Å; E217-H221 PolarHBondContact OE2-CD2 3.08Å; E217-H221 VanDerWaalsContact OE2-CD2 3.3Å; S218-H221 PolarHBondContact O-N 3.45Å; S218-H221 WeakPolarHBondContact OG-CB 3.4Å; S218-H221 PolarHBondContact OG-N 3.02Å; S218-H221 VanDerWaalsContact OG-N 3.1Å
222	Y	84.2	Confident	90.7	Very high	110 Å²	110	50 Å²	50	43%	0.431	25%	0.252	S	S	.	.	S	Bend	trans	-135.4	93.5	179.3	-168.3	-91.7	0	0	0	110.4	H215 S218 F224	H215-Y222 AromaticContact CD2-CD1 3.83Å; H215-Y222 AromaticContact CE1-CD1 3.9Å; H215-Y222 AromaticContact NE2-CD1 3.02Å; H215-Y222 WeakPolarHBondContact NE2-CD1 3.23Å; H215-Y222 AromaticContact NE2-CE1 3.83Å; H215-Y222 AromaticContact NE2-CG 3.63Å; S218-Y222 PolarHBondContact O-N 3.43Å; Y222-F224 AromaticContact CD1-CD1 3.77Å; Y222-F224 HydrophobicContact CD1-CD1 3.77Å; Y222-F224 HydrophobicContact CD1-CE1 4.17Å; Y222-F224 AromaticContact CE1-CD1 3.62Å; Y222-F224 HydrophobicContact CE1-CD1 3.62Å; Y222-F224 HydrophobicContact CE1-CE1 4.04Å
223	S	81.3	Confident	90.7	Very high	95 Å²	95	50 Å²	50	66%	0.664	25%	0.252	S	S	*	.			trans	-95.1	132.9	175.9	60.5	0	0	0	0	110.6	P219	P219-S223 WeakPolarHBondContact O-CB 3.44Å
224	F	83.4	Confident	90.7	Very high	21 Å²	21	50 Å²	50	9%	0.092	25%	0.252	C	S	.	.			trans	-139	148.4	164.4	60.2	-89.7	0	0	0	109.2	N197 I213 H215 Y222 M226	N197-F224 HydrophobicContact CB-CB 4.05Å; I213-F224 HydrophobicContact CG2-CE2 4.39Å; H215-F224 AromaticContact CD2-CE1 3.82Å; Y222-F224 AromaticContact CD1-CD1 3.77Å; Y222-F224 HydrophobicContact CD1-CD1 3.77Å; Y222-F224 HydrophobicContact CD1-CE1 4.17Å; Y222-F224 AromaticContact CE1-CD1 3.62Å; Y222-F224 HydrophobicContact CE1-CD1 3.62Å; Y222-F224 HydrophobicContact CE1-CE1 4.04Å; F224-M226 HydrophobicContact CD2-CG 3.8Å; F224-M226 HydrophobicContact CD2-SD 3.56Å; F224-M226 VanDerWaalsContact CD2-SD 3.56Å; F224-M226 HydrophobicContact CE2-CG 3.59Å; F224-M226 HydrophobicContact CE2-SD 3.43Å; F224-M226 WeakPolarHBondContact CE2-SD 3.34Å
225	A	87.6	Confident	90.8	Very high	60 Å²	60	47.9 Å²	47.9	50%	0.496	24%	0.244	S	C	.	.			trans	-85.5	135.9	-179.8	0	0	0	0	0	110.6	D448	A225-D448 VanDerWaalsContact CA-OD2 3.26Å; A225-D448 WeakPolarHBondContact CA-OD2 3.48Å
226	M	89.5	Confident	91	Very high	10 Å²	10	47.6 Å²	47.6	5%	0.049	24%	0.243	C	C	.	.			trans	-118.8	145	170.5	-64.8	-55.8	-69.3	0	0	110	F194 P198 I213 F224 K228 I231 V447 D448	F194-M226 HydrophobicContact CB-CE 4.05Å; F194-M226 HydrophobicContact CD2-CE 3.91Å; F194-M226 HydrophobicContact CG-CE 3.91Å; P198-M226 WeakPolarHBondContact CD-SD 2.91Å; P198-M226 HydrophobicContact CG-CE 4.12Å; P198-M226 HydrophobicContact CG-SD 4.28Å; I213-M226 HydrophobicContact CG2-CE 3.98Å; I213-M226 HydrophobicContact CG2-CG 3.87Å; I213-M226 HydrophobicContact CG2-SD 4.33Å; F224-M226 HydrophobicContact CD2-CG 3.8Å; F224-M226 HydrophobicContact CD2-SD 3.56Å; F224-M226 VanDerWaalsContact CD2-SD 3.56Å; F224-M226 HydrophobicContact CE2-CG 3.59Å; F224-M226 HydrophobicContact CE2-SD 3.43Å; F224-M226 WeakPolarHBondContact CE2-SD 3.34Å; M226-K228 PolarHBondContact O-N 2.75Å; M226-I231 HydrophobicContact CB-CG1 4.08Å; M226-I231 HydrophobicContact CE-CD1 3.42Å; M226-I231 VanDerWaalsContact CE-CD1 3.42Å; M226-I231 HydrophobicContact CE-CG1 4.16Å; M226-V447 HydrophobicContact CB-CG1 3.6Å; M226-V447 HydrophobicContact CG-CG1 4.17Å; M226-D448 PolarHBondContact N-OD1 3.11Å; M226-D448 PolarHBondContact N-OD2 2.82Å
227	P	88.4	Confident	91.1	Very high	50 Å²	50	45.3 Å²	45.3	33%	0.325	23%	0.23	S	C	.	.			trans	-63.6	135.4	177.3	23.2	-30.8	0	0	0	111.3	W211 L230	W211-P227 HydrophobicContact CZ3-CG 4.01Å; P227-L230 HydrophobicContact CB-CB 4.29Å; P227-L230 HydrophobicContact CB-CD1 3.53Å; P227-L230 HydrophobicContact CB-CG 4.08Å; P227-L230 HydrophobicContact CG-CB 3.95Å; P227-L230 HydrophobicContact CG-CD1 3.46Å; P227-L230 VanDerWaalsContact CG-CD1 3.46Å; P227-L230 HydrophobicContact CG-CG 4.13Å
228	K	91.1	Very high	91.1	Very high	132 Å²	132	42.8 Å²	42.8	57%	0.574	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.8	149	172.3	-64.3	-166.1	-171.7	-139.2	0	110.9	M226 L230 E445 D446	M226-K228 PolarHBondContact O-N 2.75Å; K228-L230 PolarHBondContact O-N 3.12Å; K228-E445 CarbonylContact C-O 3.56Å; K228-E445 VanDerWaalsContact CA-O 3.3Å; K228-E445 WeakPolarHBondContact CA-O 3.45Å; K228-E445 VanDerWaalsContact CB-O 3.23Å; K228-E445 WeakPolarHBondContact CB-O 3.47Å; K228-D446 WeakPolarHBondContact CE-OD2 3.43Å; K228-D446 IonicContact NZ-OD2 2.65Å; K228-D446 PolarHBondContact NZ-OD2 2.88Å
229	N	91.2	Very high	91.2	Very high	89 Å²	89	43.9 Å²	43.9	48%	0.476	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.9	4.9	176.7	-56.7	-62	0	0	0	116.8	Y444 E445	N229-Y444 WeakPolarHBondContact CA-O 3.26Å; N229-Y444 PolarHBondContact N-O 2.84Å; N229-E445 PolarHBondContact N-O 3.27Å; N229-E445 WeakPolarHBondContact OD1-CA 3.3Å
230	L	91.8	Very high	91.2	Very high	58 Å²	58	43.7 Å²	43.7	30%	0.304	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-104.2	-23.4	-178.2	-67.3	-174.4	0	0	0	113.8	K205 W211 P227 K228	K205-L230 HydrophobicContact CD-CD2 4.28Å; K205-L230 PolarHBondContact NZ-O 3.3Å; W211-L230 HydrophobicContact CE3-CB 3.99Å; W211-L230 HydrophobicContact CH2-CD1 4.25Å; W211-L230 HydrophobicContact CZ3-CB 4.07Å; W211-L230 HydrophobicContact CZ3-CD1 3.9Å; P227-L230 HydrophobicContact CB-CB 4.29Å; P227-L230 HydrophobicContact CB-CD1 3.53Å; P227-L230 HydrophobicContact CB-CG 4.08Å; P227-L230 HydrophobicContact CG-CB 3.95Å; P227-L230 HydrophobicContact CG-CD1 3.46Å; P227-L230 VanDerWaalsContact CG-CD1 3.46Å; P227-L230 HydrophobicContact CG-CG 4.13Å; K228-L230 PolarHBondContact O-N 3.12Å
231	I	94	Very high	91.5	Very high	1 Å²	1	37.4 Å²	37.4	1%	0.005	20%	0.201	C	C	.	.			trans	-86.1	119.2	-178.5	-56.5	-53.2	0	0	0	110.8	W211 I213 M226 F233 W443 Y444 V447	W211-I231 HydrophobicContact CB-CD1 3.82Å; W211-I231 HydrophobicContact CE3-CD1 3.85Å; I213-I231 HydrophobicContact CG1-CG2 4.35Å; I213-I231 HydrophobicContact CG2-CD1 4.16Å; I213-I231 HydrophobicContact CG2-CG1 4.19Å; I213-I231 HydrophobicContact CG2-CG2 4.04Å; M226-I231 HydrophobicContact CB-CG1 4.08Å; M226-I231 HydrophobicContact CE-CD1 3.42Å; M226-I231 VanDerWaalsContact CE-CD1 3.42Å; M226-I231 HydrophobicContact CE-CG1 4.16Å; I231-F233 VanDerWaalsContact CG2-O 3.28Å; I231-F233 WeakPolarHBondContact CG2-O 3.48Å; I231-W443 CarbonylContact O-C 3.54Å; I231-W443 WeakPolarHBondContact O-CA 3.29Å; I231-W443 WeakPolarHBondContact O-CB 3.42Å; I231-Y444 PolarHBondContact O-N 3.14Å; I231-V447 HydrophobicContact CB-CB 4.18Å; I231-V447 HydrophobicContact CB-CG1 4.11Å; I231-V447 HydrophobicContact CB-CG2 4.46Å; I231-V447 HydrophobicContact CG1-CB 4.45Å; I231-V447 HydrophobicContact CG1-CG1 3.83Å; I231-V447 HydrophobicContact CG2-CB 4.37Å; I231-V447 HydrophobicContact CG2-CG1 4.49Å; I231-V447 HydrophobicContact CG2-CG2 4.11Å
232	N	95.3	Very high	92.1	Very high	13 Å²	13	32.8 Å²	32.8	7%	0.07	18%	0.179	C	C	.	.			trans	-80.3	-49.2	178.2	-59.8	92.8	0	0	0	111.1	K205 S210 W211 Y442	K205-N232 WeakPolarHBondContact CE-OD1 3.1Å; K205-N232 PolarHBondContact NZ-OD1 3.27Å; S210-N232 VanDerWaalsContact CA-OD1 3.24Å; S210-N232 WeakPolarHBondContact CA-OD1 3.29Å; W211-N232 PolarHBondContact N-OD1 3.33Å; W211-N232 WeakPolarHBondContact O-CA 3.48Å; W211-N232 WeakPolarHBondContact O-CB 3.38Å; W211-N232 PolarHBondContact O-N 3.35Å; N232-Y442 WeakPolarHBondContact CA-O 3.25Å; N232-Y442 WeakPolarHBondContact CB-O 2.74Å; N232-Y442 PolarHBondContact ND2-O 3.24Å; N232-Y442 WeakPolarHBondContact O-CD1 3.47Å; N232-Y442 WeakPolarHBondContact O-CE1 3.29Å
233	F	97.1	Very high	92.7	Very high	2 Å²	2	27.5 Å²	27.5	1%	0.009	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	165.2	-165.6	-55.9	-64.3	0	0	0	112.4	F120 L191 W211 L212 I213 I231 T242 L431 I435 M438 Y442	F120-F233 HydrophobicContact CE1-CE1 4.32Å; L191-F233 HydrophobicContact CD1-CD2 4.45Å; W211-F233 PolarHBondContact O-N 2.92Å; W211-F233 VanDerWaalsContact O-N 3.08Å; L212-F233 VanDerWaalsContact CA-O 3.25Å; L212-F233 WeakPolarHBondContact CA-O 3.38Å; L212-F233 HydrophobicContact CB-CB 4.11Å; L212-F233 HydrophobicContact CD1-CB 3.73Å; L212-F233 HydrophobicContact CG-CB 4.11Å; I213-F233 PolarHBondContact N-O 3.11Å; I213-F233 VanDerWaalsContact N-O 3.15Å; I231-F233 VanDerWaalsContact CG2-O 3.28Å; I231-F233 WeakPolarHBondContact CG2-O 3.48Å; F233-T242 WeakPolarHBondContact CA-OG1 3.48Å; F233-T242 HydrophobicContact CB-CG2 4.12Å; F233-T242 HydrophobicContact CD1-CG2 3.65Å; F233-T242 HydrophobicContact CE1-CG2 4.46Å; F233-T242 HydrophobicContact CG-CG2 4.14Å; F233-L431 HydrophobicContact CB-CD2 4.21Å; F233-L431 HydrophobicContact CD1-CD1 4.44Å; F233-L431 HydrophobicContact CD2-CD2 4.28Å; F233-L431 HydrophobicContact CE1-CD1 4.41Å; F233-L431 HydrophobicContact CG-CD2 4.15Å; F233-L431 HydrophobicContact CZ-CD1 4.47Å; F233-I435 HydrophobicContact CD2-CD1 4.13Å; F233-I435 HydrophobicContact CD2-CG1 4.47Å; F233-I435 HydrophobicContact CE2-CD1 3.5Å; F233-I435 VanDerWaalsContact CE2-CD1 3.5Å; F233-I435 HydrophobicContact CE2-CG1 3.5Å; F233-I435 HydrophobicContact CZ-CD1 4.3Å; F233-I435 HydrophobicContact CZ-CG1 3.8Å; F233-M438 HydrophobicContact CE1-CE 3.69Å; F233-M438 HydrophobicContact CE1-SD 3.9Å; F233-M438 HydrophobicContact CZ-CE 3.68Å; F233-M438 HydrophobicContact CZ-SD 3.66Å; F233-Y442 AromaticContact CD1-CD1 3.81Å; F233-Y442 HydrophobicContact CD1-CD1 3.81Å; F233-Y442 HydrophobicContact CD1-CE1 4.17Å; F233-Y442 AromaticContact CE1-CD1 3.6Å; F233-Y442 HydrophobicContact CE1-CD1 3.6Å; F233-Y442 HydrophobicContact CE1-CE1 4.36Å; F233-Y442 HydrophobicContact CE1-CG 4.36Å
234	T	96.9	Very high	93.4	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	135.7	-177.8	51.3	0	0	0	0	110.2	I213 S241 T242 I243 Y444 V447 W450	I213-T234 HydrophobicContact CD1-CG2 4Å; I213-T234 HydrophobicContact CG1-CG2 3.77Å; T234-S241 VanDerWaalsContact OG1-CA 3.23Å; T234-S241 WeakPolarHBondContact OG1-CA 3.5Å; T234-T242 PolarHBondContact N-OG1 3.07Å; T234-T242 VanDerWaalsContact N-OG1 3.17Å; T234-T242 CarbonylContact O-C 3.39Å; T234-T242 WeakPolarHBondContact O-CA 3.22Å; T234-T242 VanDerWaalsContact O-CB 3.3Å; T234-T242 WeakPolarHBondContact O-CB 3.3Å; T234-T242 PolarHBondContact O-N 2.61Å; T234-T242 PolarHBondContact OG1-N 3.35Å; T234-I243 PolarHBondContact O-N 3.2Å; T234-Y444 HydrophobicContact CG2-CD2 4.18Å; T234-Y444 HydrophobicContact CG2-CE1 4.17Å; T234-Y444 HydrophobicContact CG2-CE2 3.5Å; T234-Y444 VanDerWaalsContact CG2-CE2 3.5Å; T234-Y444 VanDerWaalsContact CG2-CZ 3.48Å; T234-Y444 PolarHBondContact OG1-OH 2.87Å; T234-V447 HydrophobicContact CG2-CG2 3.87Å; T234-W450 HydrophobicContact CG2-CE3 3.98Å; T234-W450 HydrophobicContact CG2-CH2 3.87Å; T234-W450 HydrophobicContact CG2-CZ3 3.51Å
235	A	97.6	Very high	94.1	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	91.6	168.3	0	0	0	0	0	109.6	L212 I213 Y214 H215 I243 L428	L212-A235 HydrophobicContact CD1-CB 4.24Å; L212-A235 HydrophobicContact CD2-CB 3.81Å; L212-A235 HydrophobicContact CG-CB 4.41Å; I213-A235 PolarHBondContact O-N 3.19Å; Y214-A235 CarbonylContact C-O 3.58Å; Y214-A235 VanDerWaalsContact CA-O 3.29Å; Y214-A235 WeakPolarHBondContact CA-O 3.47Å; Y214-A235 HydrophobicContact CD2-CB 3.62Å; Y214-A235 HydrophobicContact CE2-CB 4.29Å; Y214-A235 HydrophobicContact CG-CB 4.21Å; H215-A235 PolarHBondContact N-O 2.71Å; A235-I243 CarbonylContact C-O 3.57Å; A235-I243 WeakPolarHBondContact CA-O 3.47Å; A235-I243 HydrophobicContact CB-CB 3.89Å; A235-I243 HydrophobicContact CB-CG2 4.35Å; A235-L428 HydrophobicContact CB-CD2 4.41Å
236	T	96.1	Very high	94.5	Very high	8 Å²	8	21.5 Å²	21.5	5%	0.049	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	175.5	-176.6	82.8	0	0	0	0	111.3	H215 A238 S241 I243 V244 T245 W450	H215-T236 HydrophobicContact CB-CG2 4.41Å; H215-T236 WeakPolarHBondContact O-CA 3.49Å; H215-T236 WeakPolarHBondContact O-CB 3.35Å; T236-A238 PolarHBondContact O-N 3.11Å; T236-A238 PolarHBondContact OG1-N 3.47Å; T236-S241 PolarHBondContact N-OG 2.81Å; T236-S241 PolarHBondContact O-OG 2.89Å; T236-S241 PolarHBondContact OG1-OG 3.5Å; T236-I243 PolarHBondContact N-O 3.24Å; T236-V244 CarbonylContact O-C 3.52Å; T236-T245 PolarHBondContact O-N 2.92Å; T236-W450 HydrophobicContact CG2-CH2 4.37Å; T236-W450 HydrophobicContact CG2-CZ3 4.38Å
237	Y	95.5	Very high	94.8	Very high	12 Å²	12	23.4 Å²	23.4	5%	0.047	12%	0.121	C	C	.	.	S	Bend	trans	-61.3	-22.3	174.3	63.8	-98.1	0	0	0	113.4	I216 E217 P219 T245 Q343 D344 Y345	I216-Y237 WeakPolarHBondContact O-CD1 3.5Å; E217-Y237 WeakPolarHBondContact O-CE1 3.36Å; P219-Y237 VanDerWaalsContact CD-OH 3.22Å; P219-Y237 WeakPolarHBondContact CD-OH 3.26Å; Y237-T245 WeakPolarHBondContact CA-O 3.41Å; Y237-T245 PolarHBondContact N-O 2.66Å; Y237-Q343 WeakPolarHBondContact CE2-O 3.45Å; Y237-D344 HydrophobicContact CD2-CB 4Å; Y237-D344 HydrophobicContact CE2-CB 4.33Å; Y237-Y345 AromaticContact CD1-CD2 3.68Å; Y237-Y345 HydrophobicContact CD1-CD2 3.68Å; Y237-Y345 HydrophobicContact CD1-CE2 4.11Å; Y237-Y345 HydrophobicContact CD2-CD2 4.03Å; Y237-Y345 AromaticContact CE1-CD2 3.52Å; Y237-Y345 HydrophobicContact CE1-CD2 3.52Å; Y237-Y345 HydrophobicContact CE1-CE2 4.02Å; Y237-Y345 HydrophobicContact CE1-CG 4.5Å; Y237-Y345 AromaticContact CE2-CD2 3.91Å; Y237-Y345 HydrophobicContact CE2-CD2 3.91Å; Y237-Y345 HydrophobicContact CE2-CG 4.31Å; Y237-Y345 AromaticContact CG-CD2 3.93Å; Y237-Y345 HydrophobicContact CG-CD2 3.93Å; Y237-Y345 AromaticContact CZ-CD2 3.64Å
238	A	94.7	Very high	95.2	Very high	3 Å²	3	23.7 Å²	23.7	3%	0.025	12%	0.116	C	C	.	.	S	Bend	trans	-66.7	135.6	-176.3	0	0	0	0	0	111.9	T236 D240 S241 D344 W450	T236-A238 PolarHBondContact O-N 3.11Å; T236-A238 PolarHBondContact OG1-N 3.47Å; A238-D240 PolarHBondContact O-N 3.38Å; A238-S241 VanDerWaalsContact O-CB 3.22Å; A238-S241 WeakPolarHBondContact O-CB 3.36Å; A238-S241 PolarHBondContact O-N 3.33Å; A238-S241 PolarHBondContact O-OG 3.03Å; A238-D344 WeakPolarHBondContact CA-OD2 3.41Å; A238-W450 HydrophobicContact CB-CH2 4.29Å; A238-W450 HydrophobicContact CB-CZ2 4.26Å
239	V	94	Very high	95.4	Very high	22 Å²	22	18.2 Å²	18.2	13%	0.133	9%	0.092	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-27.6	-174.8	170.7	0	0	0	0	112.2	P125 Y126 R130 S241 V244 D344	P125-V239 WeakPolarHBondContact O-CG1 3.29Å; Y126-V239 HydrophobicContact CD1-CB 3.82Å; Y126-V239 HydrophobicContact CD1-CG1 3.68Å; Y126-V239 HydrophobicContact CD1-CG2 4.48Å; Y126-V239 HydrophobicContact CE1-CB 3.82Å; Y126-V239 HydrophobicContact CE1-CG1 4.13Å; Y126-V239 HydrophobicContact CG-CG1 4.34Å; R130-V239 PolarHBondContact NH1-O 3.21Å; R130-V239 PolarHBondContact NH2-O 3.09Å; V239-S241 VanDerWaalsContact C-N 3.31Å; V239-S241 PolarHBondContact O-N 2.71Å; V239-V244 VanDerWaalsContact O-CG2 3.27Å; V239-V244 WeakPolarHBondContact O-CG2 3.44Å; V239-D344 PolarHBondContact N-OD2 2.87Å
240	D	92.7	Very high	95.7	Very high	2 Å²	2	15.4 Å²	15.4	1%	0.011	8%	0.075	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89	11.8	175.9	77.2	-35.4	0	0	0	114.1	R75 K79 P119 P125 A238 W450	R75-D240 IonicContact CZ-OD1 2.69Å; R75-D240 IonicContact CZ-OD2 3.52Å; R75-D240 IonicContact NH1-OD1 3.75Å; R75-D240 PolarHBondContact NH1-OD1 3.1Å; R75-D240 IonicContact NH1-OD2 3.8Å; R75-D240 PolarHBondContact NH1-OD2 3.11Å; R75-D240 IonicContact NH2-OD1 3.49Å; K79-D240 IonicContact NZ-OD2 2.74Å; P119-D240 VanDerWaalsContact CG-O 3.29Å; P119-D240 WeakPolarHBondContact CG-O 3.31Å; P125-D240 HydrophobicContact CB-CB 4.43Å; P125-D240 HydrophobicContact CG-CB 4.01Å; A238-D240 PolarHBondContact O-N 3.38Å; D240-W450 WeakPolarHBondContact OD1-CZ2 3.34Å; D240-W450 PolarHBondContact OD2-NE1 3.09Å
241	S	95.5	Very high	95.9	Very high	0 Å²	0	12.9 Å²	12.9	0%	0	6%	0.062	C	C	.	.	S	Bend	trans	-70.3	151.3	168.1	-53.5	0	0	0	0	111.6	P119 R130 T234 T236 A238 V239 I243	P119-S241 WeakPolarHBondContact CG-O 3.47Å; R130-S241 PolarHBondContact NH2-O 2.97Å; T234-S241 VanDerWaalsContact OG1-CA 3.23Å; T234-S241 WeakPolarHBondContact OG1-CA 3.5Å; T236-S241 PolarHBondContact N-OG 2.81Å; T236-S241 PolarHBondContact O-OG 2.89Å; T236-S241 PolarHBondContact OG1-OG 3.5Å; A238-S241 VanDerWaalsContact O-CB 3.22Å; A238-S241 WeakPolarHBondContact O-CB 3.36Å; A238-S241 PolarHBondContact O-N 3.33Å; A238-S241 PolarHBondContact O-OG 3.03Å; V239-S241 VanDerWaalsContact C-N 3.31Å; V239-S241 PolarHBondContact O-N 2.71Å; S241-I243 VanDerWaalsContact C-N 3.31Å; S241-I243 PolarHBondContact O-N 2.87Å
242	T	95.8	Very high	96	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	8%	0.084	C	C	.	.	S	Bend	trans	-53.5	-50.1	172.6	-46.8	0	0	0	0	111	F118 F120 Q134 F233 T234 L431	F118-T242 HydrophobicContact CD1-CG2 3.59Å; F118-T242 HydrophobicContact CE1-CG2 4.03Å; F118-T242 HydrophobicContact CG-CG2 4.3Å; F120-T242 HydrophobicContact CE1-CG2 4.44Å; Q134-T242 PolarHBondContact NE2-O 3.45Å; F233-T242 WeakPolarHBondContact CA-OG1 3.48Å; F233-T242 HydrophobicContact CB-CG2 4.12Å; F233-T242 HydrophobicContact CD1-CG2 3.65Å; F233-T242 HydrophobicContact CE1-CG2 4.46Å; F233-T242 HydrophobicContact CG-CG2 4.14Å; T234-T242 PolarHBondContact N-OG1 3.07Å; T234-T242 VanDerWaalsContact N-OG1 3.17Å; T234-T242 CarbonylContact O-C 3.39Å; T234-T242 WeakPolarHBondContact O-CA 3.22Å; T234-T242 VanDerWaalsContact O-CB 3.3Å; T234-T242 WeakPolarHBondContact O-CB 3.3Å; T234-T242 PolarHBondContact O-N 2.61Å; T234-T242 PolarHBondContact OG1-N 3.35Å; T242-L431 HydrophobicContact CG2-CD1 3.96Å; T242-L431 HydrophobicContact CG2-CD2 3.92Å
243	I	97.5	Very high	95.9	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	99.8	173.3	-57	-55.6	0	0	0	109.3	F118 T234 A235 T236 S241 T245 R427 L428 L431	F118-I243 HydrophobicContact CE1-CD1 4.26Å; T234-I243 PolarHBondContact O-N 3.2Å; A235-I243 CarbonylContact C-O 3.57Å; A235-I243 WeakPolarHBondContact CA-O 3.47Å; A235-I243 HydrophobicContact CB-CB 3.89Å; A235-I243 HydrophobicContact CB-CG2 4.35Å; T236-I243 PolarHBondContact N-O 3.24Å; S241-I243 VanDerWaalsContact C-N 3.31Å; S241-I243 PolarHBondContact O-N 2.87Å; I243-T245 PolarHBondContact O-N 2.85Å; I243-T245 PolarHBondContact O-OG1 3.35Å; I243-R427 HydrophobicContact CD1-CB 4.17Å; I243-R427 HydrophobicContact CG2-CB 4.23Å; I243-L428 HydrophobicContact CG1-CD2 3.99Å; I243-L431 HydrophobicContact CD1-CB 4.27Å; I243-L431 HydrophobicContact CD1-CD2 4.29Å; I243-L431 HydrophobicContact CG1-CD2 4Å
244	V	96.3	Very high	95.8	Very high	12 Å²	12	23.4 Å²	23.4	7%	0.073	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.5	119.3	176	-167.1	0	0	0	0	109.5	I131 T236 V239 P246 R427	I131-V244 HydrophobicContact CD1-CB 4.15Å; I131-V244 HydrophobicContact CD1-CG1 4.32Å; I131-V244 HydrophobicContact CG1-CB 4.21Å; T236-V244 CarbonylContact O-C 3.52Å; V239-V244 VanDerWaalsContact O-CG2 3.27Å; V239-V244 WeakPolarHBondContact O-CG2 3.44Å; V244-P246 WeakPolarHBondContact O-CD 3.37Å; V244-R427 VanDerWaalsContact N-NH2 3.17Å; V244-R427 VanDerWaalsContact O-CZ 3.25Å; V244-R427 PolarHBondContact O-NH1 3.28Å; V244-R427 PolarHBondContact O-NH2 2.76Å
245	T	96.5	Very high	95.8	Very high	7 Å²	7	24.6 Å²	24.6	4%	0.043	12%	0.12	C	C	.	.			trans	-122.6	73.9	-177.7	-56.3	0	0	0	0	108.9	Y214 I216 T236 Y237 I243 S424	Y214-T245 HydrophobicContact CE2-CG2 4.34Å; Y214-T245 WeakPolarHBondContact OH-CG2 3.48Å; I216-T245 HydrophobicContact CG2-CG2 3.95Å; T236-T245 PolarHBondContact O-N 2.92Å; Y237-T245 WeakPolarHBondContact CA-O 3.41Å; Y237-T245 PolarHBondContact N-O 2.66Å; I243-T245 PolarHBondContact O-N 2.85Å; I243-T245 PolarHBondContact O-OG1 3.35Å; T245-S424 VanDerWaalsContact CG2-OG 3.26Å; T245-S424 WeakPolarHBondContact CG2-OG 3.43Å; T245-S424 PolarHBondContact OG1-OG 2.75Å; T245-S424 VanDerWaalsContact OG1-OG 3.14Å
246	P	96	Very high	95.7	Very high	31 Å²	31	24.6 Å²	24.6	20%	0.201	12%	0.12	C	C	.	.			trans	-74.4	158.1	176.7	35.6	-34.4	0	0	0	109.8	I131 V244 Y248 T422	I131-P246 HydrophobicContact CD1-CG 4.25Å; V244-P246 WeakPolarHBondContact O-CD 3.37Å; P246-Y248 WeakPolarHBondContact CB-O 3.46Å; P246-Y248 WeakPolarHBondContact CG-O 3.35Å; P246-Y248 PolarHBondContact O-N 3.04Å; P246-T422 HydrophobicContact CG-CG2 4.47Å
247	Y	96	Very high	95.6	Very high	49 Å²	49	27 Å²	27	19%	0.192	13%	0.131	C	C	.	.	S	Bend	trans	-57.6	-40.1	174.6	-80.6	-98.1	0	0	0	112	I216 E217 Y345 T347	I216-Y247 HydrophobicContact CB-CE2 4.15Å; I216-Y247 HydrophobicContact CD1-CE1 3.87Å; I216-Y247 VanDerWaalsContact O-CE2 3.23Å; I216-Y247 WeakPolarHBondContact O-CE2 3.43Å; I216-Y247 PolarHBondContact O-OH 3.32Å; E217-Y247 PolarHBondContact OE1-OH 2.91Å; Y247-Y345 HydrophobicContact CE2-CE2 4.2Å; Y247-T347 HydrophobicContact CD2-CG2 4.04Å; Y247-T347 HydrophobicContact CE2-CG2 3.75Å
248	Y	97.1	Very high	95.5	Very high	56 Å²	56	26.7 Å²	26.7	22%	0.22	13%	0.13	C	C	.	.			trans	-144.9	162.1	175.8	-70.5	-95.2	0	0	0	109.6	P246 E348 F351 L352 K356	P246-Y248 WeakPolarHBondContact CB-O 3.46Å; P246-Y248 WeakPolarHBondContact CG-O 3.35Å; P246-Y248 PolarHBondContact O-N 3.04Å; Y248-E348 HydrophobicContact CE2-CB 4.16Å; Y248-F351 HydrophobicContact CD1-CB 4.2Å; Y248-F351 HydrophobicContact CD2-CB 3.37Å; Y248-F351 HydrophobicContact CD2-CD2 4.02Å; Y248-F351 AromaticContact CD2-CG 3.95Å; Y248-F351 HydrophobicContact CD2-CG 3.95Å; Y248-F351 HydrophobicContact CE2-CB 4.12Å; Y248-F351 HydrophobicContact CG-CB 3.44Å; Y248-F351 VanDerWaalsContact CG-CB 3.44Å; Y248-F351 HydrophobicContact CG-CD2 4.21Å; Y248-F351 AromaticContact CG-CG 3.86Å; Y248-F351 HydrophobicContact CG-CG 3.86Å; Y248-L352 HydrophobicContact CE2-CB 3.97Å; Y248-K356 HydrophobicContact CD1-CD 4.47Å; Y248-K356 HydrophobicContact CE1-CD 3.96Å
249	K	96.4	Very high	95.4	Very high	17 Å²	17	32.9 Å²	32.9	7%	0.074	15%	0.153	C	C	.	.			trans	-129.1	122.9	176.2	179.6	174.7	177.2	57.7	0	110	D129 I131 V251 F420 T422	D129-K249 IonicContact OD1-NZ 3.07Å; D129-K249 PolarHBondContact OD1-NZ 3.48Å; D129-K249 IonicContact OD2-NZ 3.75Å; D129-K249 PolarHBondContact OD2-NZ 3.3Å; I131-K249 HydrophobicContact CB-CD 4.24Å; I131-K249 HydrophobicContact CD1-CD 3.9Å; I131-K249 HydrophobicContact CG2-CD 3.86Å; K249-V251 HydrophobicContact CD-CG1 3.99Å; K249-V251 HydrophobicContact CG-CG1 3.96Å; K249-F420 HydrophobicContact CB-CD1 4.29Å; K249-F420 HydrophobicContact CD-CD1 3.96Å; K249-F420 HydrophobicContact CD-CE1 4.07Å; K249-F420 HydrophobicContact CG-CD1 4.35Å; K249-T422 HydrophobicContact CB-CG2 3.65Å; K249-T422 HydrophobicContact CD-CG2 3.72Å; K249-T422 HydrophobicContact CG-CG2 4.33Å
250	Y	96.8	Very high	95	Very high	31 Å²	31	34.4 Å²	34.4	12%	0.122	16%	0.164	C	C	.	.			trans	-73.4	128.2	161.4	175.2	-116.8	0	0	0	109.6	R252 P376 W412 T417 V418	Y250-R252 HydrophobicContact CE1-CG 3.7Å; Y250-P376 HydrophobicContact CD1-CB 4.23Å; Y250-P376 HydrophobicContact CD1-CG 4.34Å; Y250-P376 HydrophobicContact CD2-CB 4.01Å; Y250-P376 HydrophobicContact CD2-CG 3.58Å; Y250-P376 HydrophobicContact CE1-CB 3.98Å; Y250-P376 HydrophobicContact CE2-CB 3.72Å; Y250-P376 HydrophobicContact CE2-CG 3.76Å; Y250-P376 HydrophobicContact CG-CB 4.24Å; Y250-P376 HydrophobicContact CG-CG 3.88Å; Y250-W412 HydrophobicContact CE2-CE3 4.06Å; Y250-T417 WeakPolarHBondContact CA-O 3.24Å; Y250-T417 WeakPolarHBondContact CD2-O 3.46Å; Y250-V418 HydrophobicContact CD2-CG1 4.16Å
251	V	96	Very high	93.8	Very high	4 Å²	4	37.8 Å²	37.8	2%	0.024	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	134.1	170.8	-67	0	0	0	0	109.8	L132 K249 V256 G416 T417 F420	L132-V251 HydrophobicContact CD2-CG1 4.35Å; K249-V251 HydrophobicContact CD-CG1 3.99Å; K249-V251 HydrophobicContact CG-CG1 3.96Å; V251-V256 HydrophobicContact CB-CB 4.41Å; V251-V256 HydrophobicContact CB-CG2 4.41Å; V251-V256 HydrophobicContact CG2-CB 4.37Å; V251-G416 CarbonylContact O-C 3.59Å; V251-G416 WeakPolarHBondContact O-CA 3.4Å; V251-T417 HydrophobicContact CG2-CG2 3.61Å; V251-T417 PolarHBondContact N-O 3.18Å; V251-T417 PolarHBondContact O-N 3.44Å; V251-F420 HydrophobicContact CG1-CB 4.36Å; V251-F420 HydrophobicContact CG1-CD1 3.71Å; V251-F420 HydrophobicContact CG1-CD2 4.12Å; V251-F420 HydrophobicContact CG1-CE1 3.93Å; V251-F420 HydrophobicContact CG1-CE2 4.34Å; V251-F420 HydrophobicContact CG1-CG 3.79Å; V251-F420 HydrophobicContact CG1-CZ 4.24Å; V251-F420 HydrophobicContact CG2-CB 4.03Å; V251-F420 HydrophobicContact CG2-CD2 3.83Å; V251-F420 HydrophobicContact CG2-CE2 4.48Å; V251-F420 HydrophobicContact CG2-CG 3.93Å
252	R	95.6	Very high	92.2	Very high	126 Å²	126	44.9 Å²	44.9	48%	0.475	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	144.4	173.9	-68	178.9	-66.1	-100.8	-6.1	110.3	Y250 S254 D255 V256 H415	Y250-R252 HydrophobicContact CE1-CG 3.7Å; R252-S254 WeakPolarHBondContact CB-OG 3.45Å; R252-S254 PolarHBondContact O-N 2.94Å; R252-D255 IonicContact CZ-OD2 2.8Å; R252-D255 IonicContact NE-OD2 3.82Å; R252-D255 PolarHBondContact NE-OD2 2.84Å; R252-D255 VanDerWaalsContact NE-OD2 3.13Å; R252-D255 IonicContact NH2-OD2 3.78Å; R252-D255 PolarHBondContact NH2-OD2 3.15Å; R252-D255 PolarHBondContact O-N 3.39Å; R252-V256 PolarHBondContact O-N 3.23Å; R252-H415 CarbonylContact C-O 3.59Å; R252-H415 WeakPolarHBondContact CA-O 3.43Å
253	F	94.4	Very high	90.7	Very high	29 Å²	29	51 Å²	51	13%	0.127	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65	-18.2	175	-63.2	-28.1	0	0	0	113.9	D255 V256 P258 L264 H415 G416 T417	F253-D255 VanDerWaalsContact C-N 3.3Å; F253-V256 VanDerWaalsContact CA-O 3.3Å; F253-V256 WeakPolarHBondContact CA-O 3.39Å; F253-P258 VanDerWaalsContact CD1-CD 3.43Å; F253-P258 HydrophobicContact CD1-CG 3.73Å; F253-P258 HydrophobicContact CE1-CG 3.41Å; F253-P258 VanDerWaalsContact CE1-CG 3.41Å; F253-P258 HydrophobicContact CG-CG 4.46Å; F253-P258 HydrophobicContact CZ-CG 3.91Å; F253-L264 HydrophobicContact CZ-CB 4.45Å; F253-L264 HydrophobicContact CZ-CD1 4.18Å; F253-H415 VanDerWaalsContact CD2-C 3.48Å; F253-H415 PolarHBondContact N-O 2.96Å; F253-G416 VanDerWaalsContact CE1-C 3.45Å; F253-G416 VanDerWaalsContact CZ-O 3.29Å; F253-G416 WeakPolarHBondContact CZ-O 3.48Å; F253-T417 HydrophobicContact CE1-CG2 4.05Å
254	S	95.2	Very high	89.2	Confident	82 Å²	82	53.8 Å²	53.8	57%	0.573	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.2	-28.7	168.8	60.3	0	0	0	0	113.2	K107 R252	K107-S254 WeakPolarHBondContact CB-O 3.4Å; R252-S254 WeakPolarHBondContact CB-OG 3.45Å; R252-S254 PolarHBondContact O-N 2.94Å
255	D	96.5	Very high	88.1	Confident	25 Å²	25	56.7 Å²	56.7	13%	0.134	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96	-37.4	-179.2	-64.1	-41.9	0	0	0	111.1	K107 K108 L132 R252 F253	K107-D255 WeakPolarHBondContact CA-O 3.09Å; K107-D255 WeakPolarHBondContact CB-O 3.29Å; K107-D255 PolarHBondContact N-O 3.28Å; K108-D255 HydrophobicContact CB-CB 4.21Å; K108-D255 PolarHBondContact N-O 3.38Å; L132-D255 HydrophobicContact CD1-CB 4.02Å; R252-D255 IonicContact CZ-OD2 2.8Å; R252-D255 IonicContact NE-OD2 3.82Å; R252-D255 PolarHBondContact NE-OD2 2.84Å; R252-D255 VanDerWaalsContact NE-OD2 3.13Å; R252-D255 IonicContact NH2-OD2 3.78Å; R252-D255 PolarHBondContact NH2-OD2 3.15Å; R252-D255 PolarHBondContact O-N 3.39Å; F253-D255 VanDerWaalsContact C-N 3.3Å
256	V	95.6	Very high	87.2	Confident	0 Å²	0	60.9 Å²	60.9	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	109.2	-176.6	-178.5	0	0	0	0	109.7	F99 F104 L106 L132 V251 R252 F253 F420	F99-V256 HydrophobicContact CD1-CG1 4.02Å; F99-V256 HydrophobicContact CD1-CG2 4.13Å; F99-V256 HydrophobicContact CE1-CG2 3.85Å; F104-V256 HydrophobicContact CB-CG1 3.44Å; F104-V256 VanDerWaalsContact CB-CG1 3.44Å; F104-V256 HydrophobicContact CD1-CG1 3.66Å; F104-V256 HydrophobicContact CD2-CG1 4.4Å; F104-V256 HydrophobicContact CG-CG1 3.59Å; L106-V256 HydrophobicContact CD1-CG2 4.48Å; L132-V256 HydrophobicContact CD1-CG2 3.83Å; L132-V256 HydrophobicContact CD2-CG2 4.27Å; V251-V256 HydrophobicContact CB-CB 4.41Å; V251-V256 HydrophobicContact CB-CG2 4.41Å; V251-V256 HydrophobicContact CG2-CB 4.37Å; R252-V256 PolarHBondContact O-N 3.23Å; F253-V256 VanDerWaalsContact CA-O 3.3Å; F253-V256 WeakPolarHBondContact CA-O 3.39Å; V256-F420 HydrophobicContact CG1-CE2 4.06Å; V256-F420 HydrophobicContact CG2-CE2 4.47Å
257	Q	94.3	Very high	86.2	Confident	59 Å²	59	63.7 Å²	63.7	28%	0.276	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	128.7	-176.1	-173.3	-175.8	18.4	0	0	111.5	F104 I105 K107	F104-Q257 CarbonylContact C-O 3.48Å; F104-Q257 WeakPolarHBondContact CA-O 3.28Å; I105-Q257 HydrophobicContact CB-CB 4.5Å; I105-Q257 PolarHBondContact N-O 3.24Å; I105-Q257 PolarHBondContact O-N 3.5Å; K107-Q257 HydrophobicContact CD-CB 4.44Å; K107-Q257 HydrophobicContact CG-CB 3.9Å
258	P	93.1	Very high	85.6	Confident	5 Å²	5	68.9 Å²	68.9	3%	0.032	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.5	137.8	170.1	-14.5	24.3	0	0	0	111.2	F104 F253 L264	F104-P258 HydrophobicContact CD1-CB 4.18Å; F104-P258 HydrophobicContact CD1-CG 4.22Å; F104-P258 HydrophobicContact CE1-CB 4.05Å; F104-P258 HydrophobicContact CE1-CG 3.91Å; F253-P258 VanDerWaalsContact CD1-CD 3.43Å; F253-P258 HydrophobicContact CD1-CG 3.73Å; F253-P258 HydrophobicContact CE1-CG 3.41Å; F253-P258 VanDerWaalsContact CE1-CG 3.41Å; F253-P258 HydrophobicContact CG-CG 4.46Å; F253-P258 HydrophobicContact CZ-CG 3.91Å; P258-L264 HydrophobicContact CB-CD1 3.53Å; P258-L264 HydrophobicContact CG-CD1 3.35Å
259	R	91.8	Very high	85.3	Confident	134 Å²	134	70 Å²	70	51%	0.506	36%	0.356	S	S	.	.	S	Bend	trans	-69.3	-38.4	175	-71.6	174.8	173.2	-94.4	3.1	111.4	D100 D103 F104 I105	D100-R259 IonicContact OD1-CZ 2.58Å; D100-R259 IonicContact OD1-NE 2.64Å; D100-R259 IonicContact OD1-NH2 2.69Å; D100-R259 PolarHBondContact OD1-NH2 3.21Å; D103-R259 WeakPolarHBondContact O-CB 3.22Å; D103-R259 WeakPolarHBondContact O-CG 3.46Å; D103-R259 PolarHBondContact O-N 3.19Å; D103-R259 VanDerWaalsContact OD1-CB 3.3Å; D103-R259 WeakPolarHBondContact OD1-CB 3.48Å; D103-R259 WeakPolarHBondContact OD1-CD 3.36Å; F104-R259 PolarHBondContact O-NE 3.21Å; I105-R259 HydrophobicContact CD1-CG 3.95Å; I105-R259 HydrophobicContact CG1-CG 3.69Å
260	S	84.8	Confident	85.2	Confident	53 Å²	53	71 Å²	71	37%	0.371	36%	0.363	S	S	.	.			trans	-100.2	108.7	171.2	-176	0	0	0	0	111.4
261	L	68.8	Low	85.2	Confident	74 Å²	74	70.4 Å²	70.4	39%	0.387	36%	0.361	S	S	.	.			trans	-81.2	-24.9	177.6	-73.5	166	0	0	0	113.4	N263 L264 I265	L261-N263 PolarHBondContact O-N 3.11Å; L261-L264 PolarHBondContact O-N 3.27Å; L261-I265 HydrophobicContact CD2-CD1 3.97Å
262	N	62.7	Low	85.2	Confident	148 Å²	148	70.5 Å²	70.5	79%	0.791	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.9	-21.9	-161.6	-68.7	-10.5	0	0	0	114.5
263	N	63.1	Low	85.2	Confident	129 Å²	129	70.4 Å²	70.4	69%	0.69	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.1	-14.2	-175.6	-66.1	-16.9	0	0	0	114.4	L261	L261-N263 PolarHBondContact O-N 3.11Å
264	L	67.3	Low	85.2	Confident	59 Å²	59	71.7 Å²	71.7	31%	0.309	39%	0.391	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.5	-34.9	-167.3	-65.4	171.1	0	0	0	113.5	F253 P258 L261	F253-L264 HydrophobicContact CZ-CB 4.45Å; F253-L264 HydrophobicContact CZ-CD1 4.18Å; P258-L264 HydrophobicContact CB-CD1 3.53Å; P258-L264 HydrophobicContact CG-CD1 3.35Å; L261-L264 PolarHBondContact O-N 3.27Å
265	I	72.2	Confident	85.3	Confident	72 Å²	72	68.4 Å²	68.4	37%	0.369	37%	0.366	S	S	.	.			trans	-96.5	117.1	-172.6	-53.6	-178.5	0	0	0	109.4	L261 N414	L261-I265 HydrophobicContact CD2-CD1 3.97Å; I265-N414 HydrophobicContact CG2-CB 4.31Å; I265-N414 VanDerWaalsContact CG2-OD1 3.3Å; I265-N414 WeakPolarHBondContact CG2-OD1 3.36Å
266	Q	77	Confident	85.4	Confident	95 Å²	95	72.9 Å²	72.9	44%	0.444	39%	0.394	S	S	.	.			trans	-134.3	75.9	178.9	-62.9	-178.4	53	0	0	108.5	D268 K269 N414	Q266-D268 VanDerWaalsContact C-N 3.28Å; Q266-D268 PolarHBondContact O-N 3.05Å; Q266-K269 HydrophobicContact CB-CB 3.86Å; Q266-K269 HydrophobicContact CB-CD 4.2Å; Q266-K269 WeakPolarHBondContact O-CB 3.38Å; Q266-K269 PolarHBondContact O-N 3.19Å; Q266-K269 VanDerWaalsContact OE1-CD 3.29Å; Q266-N414 PolarHBondContact N-OD1 3.07Å
267	P	76.4	Confident	85.5	Confident	90 Å²	90	75.8 Å²	75.8	58%	0.584	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.8	-31.1	-165.6	26.4	-31.8	0	0	0	112.9
268	D	83.3	Confident	85.7	Confident	159 Å²	159	74 Å²	74	85%	0.85	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.2	13.6	-176.6	-56.5	-49.2	0	0	0	113.4	Q266 D270	Q266-D268 VanDerWaalsContact C-N 3.28Å; Q266-D268 PolarHBondContact O-N 3.05Å; D268-D270 PolarHBondContact O-N 3.35Å
269	K	90.7	Very high	86	Confident	78 Å²	78	73.9 Å²	73.9	34%	0.339	40%	0.398	S	S	.	.			trans	-71.6	120.9	-179.3	178.9	169.1	-177.5	174.9	0	111.2	Q266 F271 N407	Q266-K269 HydrophobicContact CB-CB 3.86Å; Q266-K269 HydrophobicContact CB-CD 4.2Å; Q266-K269 WeakPolarHBondContact O-CB 3.38Å; Q266-K269 PolarHBondContact O-N 3.19Å; Q266-K269 VanDerWaalsContact OE1-CD 3.29Å; K269-F271 HydrophobicContact CB-CD2 4.28Å; K269-F271 HydrophobicContact CB-CE2 3.89Å; K269-F271 HydrophobicContact CB-CZ 4.31Å; K269-F271 HydrophobicContact CD-CD1 4.04Å; K269-F271 HydrophobicContact CD-CD2 4.37Å; K269-F271 HydrophobicContact CD-CE1 3.64Å; K269-F271 HydrophobicContact CD-CE2 3.96Å; K269-F271 HydrophobicContact CD-CG 4.43Å; K269-F271 HydrophobicContact CD-CZ 3.6Å; K269-F271 HydrophobicContact CG-CD1 4.29Å; K269-F271 HydrophobicContact CG-CD2 3.95Å; K269-F271 HydrophobicContact CG-CE1 4.25Å; K269-F271 HydrophobicContact CG-CE2 3.85Å; K269-F271 HydrophobicContact CG-CG 4.2Å; K269-F271 HydrophobicContact CG-CZ 4.04Å; K269-F271 VanDerWaalsContact O-CD2 3.3Å; K269-F271 WeakPolarHBondContact O-CD2 3.31Å; K269-F271 PolarHBondContact O-N 2.87Å; K269-N407 PolarHBondContact O-OD1 2.85Å
270	D	94.7	Very high	86.3	Confident	39 Å²	39	67.5 Å²	67.5	21%	0.209	37%	0.374	C	S	.	.			trans	-83.8	97.6	166.3	-178.3	2.9	0	0	0	109.7	D268 S272 I273 K403 N407	D268-D270 PolarHBondContact O-N 3.35Å; D270-S272 VanDerWaalsContact CG-OG 3.3Å; D270-S272 PolarHBondContact O-N 2.71Å; D270-S272 VanDerWaalsContact OD1-CB 3.23Å; D270-S272 WeakPolarHBondContact OD1-CB 3.34Å; D270-S272 PolarHBondContact OD1-N 3.32Å; D270-S272 PolarHBondContact OD1-OG 2.82Å; D270-S272 PolarHBondContact OD2-OG 3.12Å; D270-I273 HydrophobicContact CB-CD1 3.79Å; D270-I273 HydrophobicContact CB-CG1 3.9Å; D270-I273 WeakPolarHBondContact O-CG1 3.08Å; D270-I273 PolarHBondContact O-N 3.28Å; D270-K403 IonicContact OD2-NZ 2.76Å; D270-K403 PolarHBondContact OD2-NZ 3.42Å; D270-N407 WeakPolarHBondContact CA-OD1 3.33Å; D270-N407 PolarHBondContact OD1-ND2 3.31Å
271	F	95.7	Very high	86.9	Confident	18 Å²	18	65.1 Å²	65.1	8%	0.079	36%	0.357	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-7.4	177.2	-69.2	-90.3	0	0	0	113.4	K269 K275 N358 Y406 N407 F410 H413	K269-F271 HydrophobicContact CB-CD2 4.28Å; K269-F271 HydrophobicContact CB-CE2 3.89Å; K269-F271 HydrophobicContact CB-CZ 4.31Å; K269-F271 HydrophobicContact CD-CD1 4.04Å; K269-F271 HydrophobicContact CD-CD2 4.37Å; K269-F271 HydrophobicContact CD-CE1 3.64Å; K269-F271 HydrophobicContact CD-CE2 3.96Å; K269-F271 HydrophobicContact CD-CG 4.43Å; K269-F271 HydrophobicContact CD-CZ 3.6Å; K269-F271 HydrophobicContact CG-CD1 4.29Å; K269-F271 HydrophobicContact CG-CD2 3.95Å; K269-F271 HydrophobicContact CG-CE1 4.25Å; K269-F271 HydrophobicContact CG-CE2 3.85Å; K269-F271 HydrophobicContact CG-CG 4.2Å; K269-F271 HydrophobicContact CG-CZ 4.04Å; K269-F271 VanDerWaalsContact O-CD2 3.3Å; K269-F271 WeakPolarHBondContact O-CD2 3.31Å; K269-F271 PolarHBondContact O-N 2.87Å; F271-K275 WeakPolarHBondContact O-CD 3.23Å; F271-K275 WeakPolarHBondContact O-CE 3.35Å; F271-N358 HydrophobicContact CD1-CB 3.71Å; F271-N358 HydrophobicContact CE1-CB 4.01Å; F271-N358 WeakPolarHBondContact CE1-OD1 3.34Å; F271-Y406 HydrophobicContact CB-CE1 4.26Å; F271-N407 PolarHBondContact N-OD1 3.42Å; F271-F410 HydrophobicContact CB-CD1 4.4Å; F271-F410 HydrophobicContact CB-CD2 3.72Å; F271-F410 HydrophobicContact CB-CE2 3.93Å; F271-F410 HydrophobicContact CB-CG 3.97Å; F271-F410 HydrophobicContact CB-CZ 4.34Å; F271-F410 HydrophobicContact CD1-CB 4.49Å; F271-F410 HydrophobicContact CD1-CD1 4.09Å; F271-F410 HydrophobicContact CD1-CG 4.19Å; F271-F410 HydrophobicContact CD2-CB 3.34Å; F271-F410 HydrophobicContact CD2-CD1 4.33Å; F271-F410 HydrophobicContact CD2-CD2 4.03Å; F271-F410 AromaticContact CD2-CG 3.64Å; F271-F410 HydrophobicContact CD2-CG 3.64Å; F271-F410 HydrophobicContact CE1-CB 4.5Å; F271-F410 HydrophobicContact CE1-CD1 4.35Å; F271-F410 HydrophobicContact CE2-CB 3.4Å; F271-F410 HydrophobicContact CE2-CG 4.09Å; F271-F410 HydrophobicContact CG-CB 3.91Å; F271-F410 HydrophobicContact CG-CD1 4.03Å; F271-F410 AromaticContact CG-CD2 3.95Å; F271-F410 HydrophobicContact CG-CD2 3.95Å; F271-F410 AromaticContact CG-CG 3.67Å; F271-F410 HydrophobicContact CG-CG 3.67Å; F271-F410 HydrophobicContact CZ-CB 3.98Å; F271-F410 HydrophobicContact CZ-CG 4.5Å; F271-H413 AromaticContact CZ-CD2 3.62Å
272	S	95.6	Very high	88.2	Confident	7 Å²	7	63.5 Å²	63.5	5%	0.049	35%	0.347	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.2	-15.1	175.6	78.4	0	0	0	0	113.3	D270 G274 K275	D270-S272 VanDerWaalsContact CG-OG 3.3Å; D270-S272 PolarHBondContact O-N 2.71Å; D270-S272 VanDerWaalsContact OD1-CB 3.23Å; D270-S272 WeakPolarHBondContact OD1-CB 3.34Å; D270-S272 PolarHBondContact OD1-N 3.32Å; D270-S272 PolarHBondContact OD1-OG 2.82Å; D270-S272 PolarHBondContact OD2-OG 3.12Å; S272-G274 PolarHBondContact O-N 3.26Å; S272-K275 PolarHBondContact O-N 2.9Å
273	I	95.1	Very high	89.7	Confident	123 Å²	123	56.9 Å²	56.9	63%	0.631	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.6	131.9	-177.9	-64.9	175.6	0	0	0	110.2	D270 K275	D270-I273 HydrophobicContact CB-CD1 3.79Å; D270-I273 HydrophobicContact CB-CG1 3.9Å; D270-I273 WeakPolarHBondContact O-CG1 3.08Å; D270-I273 PolarHBondContact O-N 3.28Å; I273-K275 PolarHBondContact O-N 2.85Å
274	G	95.4	Very high	91	Very high	56 Å²	56	53.6 Å²	53.6	58%	0.577	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.5	-27.3	179.9	0	0	0	0	0	114.6	S272 T276 N329	S272-G274 PolarHBondContact O-N 3.26Å; G274-T276 PolarHBondContact O-N 2.97Å; G274-N329 CarbonylContact C-O 3.51Å; G274-N329 VanDerWaalsContact C-O 3.27Å
275	K	98.1	Very high	92	Very high	13 Å²	13	53.6 Å²	53.6	6%	0.057	30%	0.299	C	S	.	.			trans	-75.4	111.1	-177.7	-62.4	172.5	-179.1	-70.4	0	111.4	F271 S272 I273 K328 N329 D330 Y331 K332 N358 Y406	F271-K275 WeakPolarHBondContact O-CD 3.23Å; F271-K275 WeakPolarHBondContact O-CE 3.35Å; S272-K275 PolarHBondContact O-N 2.9Å; I273-K275 PolarHBondContact O-N 2.85Å; K275-K328 WeakPolarHBondContact CE-O 3.48Å; K275-K328 PolarHBondContact NZ-O 3.35Å; K275-N329 WeakPolarHBondContact CA-O 3.31Å; K275-N329 PolarHBondContact N-O 3.49Å; K275-D330 CarbonylContact C-O 3.59Å; K275-D330 WeakPolarHBondContact CA-O 3.38Å; K275-Y331 WeakPolarHBondContact CD-O 3.45Å; K275-Y331 WeakPolarHBondContact CE-O 3.01Å; K275-Y331 PolarHBondContact NZ-O 3.08Å; K275-K332 HydrophobicContact CB-CG 3.79Å; K275-K332 HydrophobicContact CD-CG 4.26Å; K275-K332 VanDerWaalsContact O-CE 3.28Å; K275-K332 WeakPolarHBondContact O-CE 3.48Å; K275-N358 WeakPolarHBondContact CE-O 3.39Å; K275-N358 PolarHBondContact NZ-O 2.91Å; K275-Y406 WeakPolarHBondContact CD-OH 3.06Å
276	T	96.7	Very high	92.8	Very high	119 Å²	119	52.6 Å²	52.6	73%	0.73	30%	0.298	S	S	*	.			trans	-111.3	-13	-179.2	55.3	0	0	0	0	113.6	G274 D330	G274-T276 PolarHBondContact O-N 2.97Å; T276-D330 PolarHBondContact N-O 3.22Å
277	K	98.4	Very high	93	Very high	62 Å²	62	53.9 Å²	53.9	27%	0.27	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	146.1	-179	-56.8	-178.7	-172.8	156.3	0	110.5	D330 Y331 K332	K277-D330 WeakPolarHBondContact CA-O 3.46Å; K277-D330 WeakPolarHBondContact CB-O 3.39Å; K277-D330 HydrophobicContact CD-CB 3.88Å; K277-D330 HydrophobicContact CG-CB 4.23Å; K277-D330 PolarHBondContact N-O 3.3Å; K277-D330 IonicContact NZ-OD2 3.73Å; K277-D330 PolarHBondContact NZ-OD2 3.44Å; K277-Y331 HydrophobicContact CB-CD1 3.46Å; K277-Y331 VanDerWaalsContact CB-CD1 3.46Å; K277-Y331 HydrophobicContact CB-CE1 3.42Å; K277-Y331 VanDerWaalsContact CB-CE1 3.42Å; K277-Y331 HydrophobicContact CB-CG 4.06Å; K277-Y331 HydrophobicContact CD-CD1 4.38Å; K277-Y331 HydrophobicContact CD-CD2 4.4Å; K277-Y331 HydrophobicContact CD-CE1 3.7Å; K277-Y331 HydrophobicContact CD-CE2 3.74Å; K277-Y331 VanDerWaalsContact CD-OH 3.29Å; K277-Y331 WeakPolarHBondContact CD-OH 3.34Å; K277-Y331 HydrophobicContact CG-CE1 4.2Å; K277-Y331 WeakPolarHBondContact O-CA 3.44Å; K277-K332 PolarHBondContact O-N 3.26Å
278	M	98.5	Very high	92.9	Very high	22 Å²	22	51.8 Å²	51.8	11%	0.108	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	-74	-175.6	-65	-60.5	-72	0	0	111.2	I303 K332 F333 Y397 D400	M278-I303 HydrophobicContact CB-CD1 4.08Å; M278-I303 HydrophobicContact CB-CG1 4.02Å; M278-I303 HydrophobicContact CE-CD1 3.34Å; M278-I303 HydrophobicContact CE-CG1 4.25Å; M278-I303 HydrophobicContact CG-CD1 4.24Å; M278-I303 HydrophobicContact CG-CG1 4.19Å; M278-K332 PolarHBondContact O-N 2.66Å; M278-F333 HydrophobicContact CE-CE2 4.03Å; M278-F333 WeakPolarHBondContact O-CD2 3.3Å; M278-F333 PolarHBondContact O-N 3.34Å; M278-Y397 HydrophobicContact CE-CD1 3.95Å; M278-Y397 HydrophobicContact CE-CE1 4.16Å; M278-D400 HydrophobicContact CE-CB 3.68Å; M278-D400 HydrophobicContact SD-CB 3.85Å; M278-D400 VanDerWaalsContact SD-CG 3.59Å
279	I	98.8	Very high	92.5	Very high	1 Å²	1	47.5 Å²	47.5	1%	0.005	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	130.7	-168.8	-58	161.8	0	0	0	110.5	L299 I303 V305 D306 Y331 F333 L335 I362 L396	I279-L299 HydrophobicContact CD1-CD2 4.02Å; I279-I303 HydrophobicContact CD1-CB 4.41Å; I279-I303 HydrophobicContact CD1-CD1 3.82Å; I279-I303 HydrophobicContact CD1-CG1 3.91Å; I279-I303 HydrophobicContact CD1-CG2 3.62Å; I279-I303 HydrophobicContact CG1-CD1 4.42Å; I279-V305 HydrophobicContact CB-CB 4.46Å; I279-V305 HydrophobicContact CB-CG1 4.36Å; I279-V305 HydrophobicContact CB-CG2 4.19Å; I279-V305 HydrophobicContact CD1-CG2 3.96Å; I279-V305 HydrophobicContact CG2-CB 4.42Å; I279-V305 HydrophobicContact CG2-CG1 3.86Å; I279-V305 HydrophobicContact CG2-CG2 4.2Å; I279-D306 PolarHBondContact O-N 3.32Å; I279-Y331 WeakPolarHBondContact O-CE1 3.42Å; I279-F333 WeakPolarHBondContact CA-O 3.48Å; I279-F333 HydrophobicContact CG1-CB 3.95Å; I279-F333 HydrophobicContact CG1-CD2 4.31Å; I279-L335 HydrophobicContact CG2-CD1 4.25Å; I279-L335 HydrophobicContact CG2-CD2 3.74Å; I279-L335 HydrophobicContact CG2-CG 3.53Å; I279-I362 HydrophobicContact CD1-CD1 4.36Å; I279-I362 HydrophobicContact CG1-CD1 4.29Å; I279-L396 HydrophobicContact CD1-CD1 3.74Å; I279-L396 HydrophobicContact CG1-CD1 4.38Å
280	A	98.4	Very high	92.2	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	148.9	164.1	0	0	0	0	0	110.9	D306 Y308 L327 Y331 F333 Y334 L335	A280-D306 WeakPolarHBondContact CA-O 3.49Å; A280-Y308 HydrophobicContact CB-CE2 4.42Å; A280-L327 HydrophobicContact CB-CD2 3.34Å; A280-Y331 HydrophobicContact CB-CD1 3.6Å; A280-Y331 HydrophobicContact CB-CD2 3.83Å; A280-Y331 HydrophobicContact CB-CE1 3.72Å; A280-Y331 HydrophobicContact CB-CE2 3.94Å; A280-Y331 HydrophobicContact CB-CG 3.65Å; A280-Y331 VanDerWaalsContact N-CD1 3.32Å; A280-F333 PolarHBondContact N-O 3.33Å; A280-Y334 HydrophobicContact CB-CD2 4.12Å; A280-Y334 WeakPolarHBondContact O-CA 3.26Å; A280-Y334 WeakPolarHBondContact O-CD2 3.07Å; A280-L335 PolarHBondContact O-N 2.92Å
281	W	97.8	Very high	92.1	Very high	4 Å²	4	43.3 Å²	43.3	2%	0.015	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142	116.1	171.5	-172.6	28	0	0	0	111.3	V283 R292 M293 A296 V305 D306 M307 Y308 L335 F337	W281-V283 HydrophobicContact CD2-CB 4.01Å; W281-V283 HydrophobicContact CD2-CG1 3.6Å; W281-V283 HydrophobicContact CE3-CG1 3.71Å; W281-V283 HydrophobicContact CG-CB 4.4Å; W281-V283 HydrophobicContact CG-CG1 4.09Å; W281-V283 HydrophobicContact CH2-CB 4.47Å; W281-V283 HydrophobicContact CH2-CG1 4.22Å; W281-V283 HydrophobicContact CH2-CG2 4.18Å; W281-V283 HydrophobicContact CZ2-CB 3.99Å; W281-V283 HydrophobicContact CZ2-CG1 4.14Å; W281-V283 HydrophobicContact CZ2-CG2 3.8Å; W281-V283 HydrophobicContact CZ3-CG1 4Å; W281-R292 HydrophobicContact CZ2-CB 4.19Å; W281-M293 HydrophobicContact CH2-CE 3.97Å; W281-M293 HydrophobicContact CH2-SD 4.34Å; W281-M293 HydrophobicContact CZ3-CE 4.13Å; W281-M293 HydrophobicContact CZ3-SD 4.26Å; W281-A296 HydrophobicContact CD2-CB 4.48Å; W281-A296 HydrophobicContact CE3-CB 3.64Å; W281-A296 HydrophobicContact CH2-CB 3.59Å; W281-A296 HydrophobicContact CZ2-CB 4.42Å; W281-A296 HydrophobicContact CZ3-CB 3.14Å; W281-V305 HydrophobicContact CB-CG1 4.07Å; W281-D306 PolarHBondContact N-O 2.64Å; W281-M307 HydrophobicContact CE3-CG 4Å; W281-M307 HydrophobicContact CE3-SD 3.64Å; W281-M307 HydrophobicContact CZ3-SD 3.65Å; W281-M307 WeakPolarHBondContact O-CA 3.2Å; W281-Y308 PolarHBondContact O-N 2.74Å; W281-L335 HydrophobicContact CB-CB 3.94Å; W281-L335 HydrophobicContact CB-CD1 3.98Å; W281-L335 HydrophobicContact CB-CG 4.14Å; W281-L335 VanDerWaalsContact CD1-O 3.26Å; W281-L335 HydrophobicContact CD2-CB 4.36Å; W281-L335 HydrophobicContact CD2-CD1 3.96Å; W281-L335 HydrophobicContact CE3-CD1 4.21Å; W281-L335 HydrophobicContact CG-CB 3.69Å; W281-L335 HydrophobicContact CG-CD1 3.9Å; W281-L335 HydrophobicContact CG-CG 4.22Å; W281-F337 HydrophobicContact CZ2-CD2 4.19Å
282	F	96	Very high	92	Very high	39 Å²	39	42.7 Å²	42.7	17%	0.171	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	114.1	175.3	-58.8	-10.4	0	0	0	109.1	Y308 C316 C323 L326 L327 Y334	F282-Y308 AromaticContact CD1-CD2 3.69Å; F282-Y308 HydrophobicContact CD1-CD2 3.69Å; F282-Y308 AromaticContact CD1-CG 3.82Å; F282-Y308 HydrophobicContact CD1-CG 3.82Å; F282-Y308 HydrophobicContact CE1-CD1 4.37Å; F282-Y308 AromaticContact CE1-CD2 3.5Å; F282-Y308 HydrophobicContact CE1-CD2 3.5Å; F282-Y308 HydrophobicContact CE1-CE2 4.05Å; F282-Y308 AromaticContact CE1-CG 3.69Å; F282-Y308 HydrophobicContact CE1-CG 3.69Å; F282-C316 HydrophobicContact CE1-CB 4.32Å; F282-C316 HydrophobicContact CZ-CB 4.27Å; F282-C323 HydrophobicContact CE2-CB 4.06Å; F282-C323 HydrophobicContact CZ-CB 4.17Å; F282-L326 HydrophobicContact CE1-CD2 4.46Å; F282-L326 HydrophobicContact CZ-CD2 4.31Å; F282-L327 HydrophobicContact CD2-CD1 4.23Å; F282-L327 HydrophobicContact CE1-CD2 3.97Å; F282-L327 HydrophobicContact CE1-CG 4.32Å; F282-L327 HydrophobicContact CE2-CD1 3.47Å; F282-L327 VanDerWaalsContact CE2-CD1 3.47Å; F282-L327 HydrophobicContact CE2-CD2 4.32Å; F282-L327 HydrophobicContact CE2-CG 3.91Å; F282-L327 HydrophobicContact CZ-CD1 3.68Å; F282-L327 HydrophobicContact CZ-CD2 3.72Å; F282-L327 HydrophobicContact CZ-CG 3.56Å; F282-Y334 HydrophobicContact CB-CE2 4.26Å; F282-Y334 WeakPolarHBondContact CB-OH 3.28Å; F282-Y334 HydrophobicContact CD1-CE2 4.18Å; F282-Y334 HydrophobicContact CD2-CE2 4.19Å; F282-Y334 AromaticContact CG-CE2 3.94Å; F282-Y334 HydrophobicContact CG-CE2 3.94Å
283	V	94.2	Very high	92	Very high	10 Å²	10	43.9 Å²	43.9	6%	0.061	28%	0.275	C	S	.	.			trans	-148	123.1	-172	55.5	0	0	0	0	111.2	W281 N285 R292 M307 Y308 G309 G310 C311	W281-V283 HydrophobicContact CD2-CB 4.01Å; W281-V283 HydrophobicContact CD2-CG1 3.6Å; W281-V283 HydrophobicContact CE3-CG1 3.71Å; W281-V283 HydrophobicContact CG-CB 4.4Å; W281-V283 HydrophobicContact CG-CG1 4.09Å; W281-V283 HydrophobicContact CH2-CB 4.47Å; W281-V283 HydrophobicContact CH2-CG1 4.22Å; W281-V283 HydrophobicContact CH2-CG2 4.18Å; W281-V283 HydrophobicContact CZ2-CB 3.99Å; W281-V283 HydrophobicContact CZ2-CG1 4.14Å; W281-V283 HydrophobicContact CZ2-CG2 3.8Å; W281-V283 HydrophobicContact CZ3-CG1 4Å; V283-N285 VanDerWaalsContact CG2-O 3.32Å; V283-N285 WeakPolarHBondContact CG2-O 3.47Å; V283-R292 VanDerWaalsContact CG2-NH1 3.28Å; V283-M307 HydrophobicContact CG1-CG 3.55Å; V283-M307 HydrophobicContact CG1-SD 3.84Å; V283-Y308 PolarHBondContact N-O 3.45Å; V283-G309 CarbonylContact O-C 3.58Å; V283-G310 PolarHBondContact O-N 3.39Å; V283-C311 HydrophobicContact CG1-CB 3.96Å; V283-C311 HydrophobicContact CG2-CB 4.27Å; V283-C311 PolarHBondContact O-N 3.07Å
284	S	91.1	Very high	92	Very high	59 Å²	59	43.9 Å²	43.9	41%	0.413	27%	0.272	S	S	.	.			trans	-116.8	-28.4	178.1	64.2	0	0	0	0	112.9	C311 R318	S284-C311 VanDerWaalsContact C-SG 3.5Å; S284-R318 PolarHBondContact OG-NH2 3.49Å
285	N	88.6	Confident	92.1	Very high	59 Å²	59	41.2 Å²	41.2	32%	0.316	25%	0.245	S	C	.	.			trans	-85.8	113.5	171	-173.3	6.5	0	0	0	107.7	V283 V287 R292	V283-N285 VanDerWaalsContact CG2-O 3.32Å; V283-N285 WeakPolarHBondContact CG2-O 3.47Å; N285-V287 VanDerWaalsContact CG-O 3.31Å; N285-V287 PolarHBondContact ND2-O 2.83Å; N285-V287 PolarHBondContact OD1-N 3.19Å; N285-V287 PolarHBondContact OD1-O 3.07Å; N285-R292 PolarHBondContact O-NH1 3.18Å; N285-R292 PolarHBondContact O-NH2 3.13Å
286	C	88.8	Confident	92	Very high	51 Å²	51	40.6 Å²	40.6	35%	0.345	24%	0.242	S	C	.	.			trans	-95.9	-19.8	-173.8	-44	0	0	0	0	112.8	M293 C311	C286-M293 HydrophobicContact CB-CE 4.28Å; C286-C311 WeakPolarHBondContact CA-SG 3.47Å; C286-C311 HydrophobicContact CB-CB 3.88Å; C286-C311 WeakPolarHBondContact CB-SG 3.07Å; C286-C311 PolarHBondContact N-SG 2.92Å; C286-C311 WeakPolarHBondContact SG-CA 3.02Å; C286-C311 WeakPolarHBondContact SG-CB 3.36Å; C286-C311 CovalentContact SG-SG 2.03Å; C286-C311 PolarHBondContact SG-SG 3.5Å
287	V	80.7	Confident	92	Very high	122 Å²	122	41 Å²	41	74%	0.739	23%	0.234	S	C	*	.			trans	-119.4	135.3	-175.3	-176.9	0	0	0	0	107.9	N285	N285-V287 VanDerWaalsContact CG-O 3.31Å; N285-V287 PolarHBondContact ND2-O 2.83Å; N285-V287 PolarHBondContact OD1-N 3.19Å; N285-V287 PolarHBondContact OD1-O 3.07Å
288	G	74.1	Confident	92	Very high	47 Å²	47	39.7 Å²	39.7	49%	0.485	23%	0.228	S	C	.	.	S	Bend	trans	-177.1	172.5	176.7	0	0	0	0	0	111.4	S290	G288-S290 PolarHBondContact O-N 3.13Å
289	S	75.7	Confident	92	Very high	69 Å²	69	38.6 Å²	38.6	48%	0.483	22%	0.223	S	C	.	.	S	Bend	trans	-71.1	-13.2	177.3	59.4	0	0	0	0	113.6
290	S	84.6	Confident	91.9	Very high	8 Å²	8	42.5 Å²	42.5	6%	0.056	24%	0.242	C	C	.	.	S	Bend	trans	-84.8	137.8	176.9	170.8	0	0	0	0	110.6	G288 R292 E338 N339 M364	G288-S290 PolarHBondContact O-N 3.13Å; S290-R292 PolarHBondContact O-N 2.91Å; S290-R292 WeakPolarHBondContact OG-CD 3.4Å; S290-R292 WeakPolarHBondContact OG-CG 3.16Å; S290-E338 WeakPolarHBondContact CB-O 3.46Å; S290-E338 PolarHBondContact OG-O 2.94Å; S290-E338 VanDerWaalsContact OG-O 3.04Å; S290-N339 WeakPolarHBondContact CB-O 3.23Å; S290-M364 VanDerWaalsContact OG-CE 3.28Å; S290-M364 WeakPolarHBondContact OG-CE 3.23Å
291	P	91.4	Very high	91.9	Very high	20 Å²	20	49.2 Å²	49.2	13%	0.13	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.3	12	-179.7	32.3	-36.4	0	0	0	113.9	M293 Q294 Y295 M364 F460 P461 I463	P291-M293 VanDerWaalsContact C-N 3.28Å; P291-M293 PolarHBondContact O-N 3.17Å; P291-M293 VanDerWaalsContact O-N 3.14Å; P291-Q294 WeakPolarHBondContact O-CB 3.41Å; P291-Q294 PolarHBondContact O-N 2.81Å; P291-Y295 PolarHBondContact O-N 3.08Å; P291-M364 HydrophobicContact CG-CE 4.41Å; P291-M364 HydrophobicContact CG-SD 4.11Å; P291-F460 HydrophobicContact CG-CB 4.27Å; P291-F460 HydrophobicContact CG-CD1 4.14Å; P291-F460 HydrophobicContact CG-CG 4.17Å; P291-P461 HydrophobicContact CG-CG 4.2Å; P291-I463 HydrophobicContact CB-CD1 4.07Å
292	R	94.6	Very high	91.9	Very high	5 Å²	5	53 Å²	53	2%	0.019	29%	0.286	C	S	.	.	H	α-helix	trans	-50.9	-40	-174.1	47.6	-167.4	-167.9	75	14.1	114.5	W281 V283 N285 S290 A296 F337 E338 M364	W281-R292 HydrophobicContact CZ2-CB 4.19Å; V283-R292 VanDerWaalsContact CG2-NH1 3.28Å; N285-R292 PolarHBondContact O-NH1 3.18Å; N285-R292 PolarHBondContact O-NH2 3.13Å; S290-R292 PolarHBondContact O-N 2.91Å; S290-R292 WeakPolarHBondContact OG-CD 3.4Å; S290-R292 WeakPolarHBondContact OG-CG 3.16Å; R292-A296 WeakPolarHBondContact O-CB 3.47Å; R292-A296 PolarHBondContact O-N 2.86Å; R292-F337 HydrophobicContact CB-CB 3.86Å; R292-F337 HydrophobicContact CB-CD2 3.85Å; R292-F337 HydrophobicContact CB-CG 4.29Å; R292-E338 WeakPolarHBondContact CD-O 3.46Å; R292-M364 HydrophobicContact CB-CE 3.37Å; R292-M364 HydrophobicContact CG-CE 4.45Å
293	M	95	Very high	92.1	Very high	32 Å²	32	51.4 Å²	51.4	16%	0.158	28%	0.279	C	S	.	.	H	α-helix	trans	-70.5	-40	177.6	-174.6	55.4	66.4	0	0	112.2	W281 C286 P291 K297 M307 C311	W281-M293 HydrophobicContact CH2-CE 3.97Å; W281-M293 HydrophobicContact CH2-SD 4.34Å; W281-M293 HydrophobicContact CZ3-CE 4.13Å; W281-M293 HydrophobicContact CZ3-SD 4.26Å; C286-M293 HydrophobicContact CB-CE 4.28Å; P291-M293 VanDerWaalsContact C-N 3.28Å; P291-M293 PolarHBondContact O-N 3.17Å; P291-M293 VanDerWaalsContact O-N 3.14Å; M293-K297 HydrophobicContact CG-CD 4.28Å; M293-K297 WeakPolarHBondContact O-CB 3.37Å; M293-K297 VanDerWaalsContact O-CG 3.26Å; M293-K297 WeakPolarHBondContact O-CG 3.46Å; M293-K297 PolarHBondContact O-N 3.32Å; M293-K297 HydrophobicContact SD-CD 4.29Å; M293-K297 HydrophobicContact SD-CG 4.23Å; M293-M307 HydrophobicContact CE-SD 4.48Å; M293-C311 HydrophobicContact CE-CB 3.8Å
294	Q	95	Very high	92.2	Very high	123 Å²	123	57.6 Å²	57.6	58%	0.575	31%	0.305	S	S	*	.	H	α-helix	trans	-66.9	-46.7	177.3	-171.8	-172.8	-22.6	0	0	110.7	P291 K297 E298 I463	P291-Q294 WeakPolarHBondContact O-CB 3.41Å; P291-Q294 PolarHBondContact O-N 2.81Å; Q294-K297 PolarHBondContact O-N 2.93Å; Q294-E298 PolarHBondContact O-N 2.93Å; Q294-I463 HydrophobicContact CB-CD1 3.86Å; Q294-I463 VanDerWaalsContact CD-CD1 3.48Å; Q294-I463 HydrophobicContact CG-CD1 3.68Å; Q294-I463 HydrophobicContact CG-CG2 4.23Å
295	Y	96.9	Very high	92.6	Very high	1 Å²	1	55.3 Å²	55.3	0%	0.004	29%	0.289	C	S	.	.	H	α-helix	trans	-61.4	-47	178.5	-161.9	-73.7	0	0	0	111.5	P291 K297 E298 L299 F337 M364 V383 V389 L392 P461 T462 I463	P291-Y295 PolarHBondContact O-N 3.08Å; Y295-K297 PolarHBondContact O-N 2.93Å; Y295-E298 PolarHBondContact O-N 3.04Å; Y295-L299 WeakPolarHBondContact O-CB 3.43Å; Y295-L299 PolarHBondContact O-N 3.13Å; Y295-F337 AromaticContact CD1-CE2 3.9Å; Y295-F337 HydrophobicContact CD1-CE2 3.9Å; Y295-F337 AromaticContact CD1-CZ 3.65Å; Y295-F337 HydrophobicContact CD1-CZ 3.65Å; Y295-F337 HydrophobicContact CE1-CZ 4.13Å; Y295-F337 HydrophobicContact CG-CE2 4.41Å; Y295-F337 HydrophobicContact CG-CZ 4.42Å; Y295-M364 HydrophobicContact CD2-SD 4.48Å; Y295-M364 HydrophobicContact CG-SD 4.42Å; Y295-V383 HydrophobicContact CD1-CG1 4.48Å; Y295-V383 HydrophobicContact CE1-CB 4.33Å; Y295-V383 HydrophobicContact CE1-CG1 3.73Å; Y295-V383 HydrophobicContact CE2-CB 4.06Å; Y295-V383 HydrophobicContact CE2-CG1 4.31Å; Y295-V389 HydrophobicContact CD1-CG2 4.43Å; Y295-V389 HydrophobicContact CD2-CG2 4.16Å; Y295-V389 HydrophobicContact CE1-CG1 4.3Å; Y295-V389 HydrophobicContact CE1-CG2 4.05Å; Y295-V389 HydrophobicContact CE2-CG2 3.74Å; Y295-V389 HydrophobicContact CG-CG2 4.47Å; Y295-L392 HydrophobicContact CE1-CD2 3.8Å; Y295-L392 WeakPolarHBondContact OH-CD2 3.33Å; Y295-P461 HydrophobicContact CD2-CB 4.02Å; Y295-P461 HydrophobicContact CD2-CG 3.78Å; Y295-P461 HydrophobicContact CE2-CB 3.83Å; Y295-P461 HydrophobicContact CE2-CG 4.12Å; Y295-T462 WeakPolarHBondContact CE2-O 3.33Å; Y295-I463 HydrophobicContact CD2-CD1 4.36Å; Y295-I463 HydrophobicContact CD2-CG1 3.69Å; Y295-I463 HydrophobicContact CE2-CG1 4.45Å; Y295-I463 HydrophobicContact CG-CG1 4.4Å
296	A	97.2	Very high	93.1	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-63.5	-41.2	178.7	0	0	0	0	0	112.5	W281 R292 E298 L299 M300 L335 F337	W281-A296 HydrophobicContact CD2-CB 4.48Å; W281-A296 HydrophobicContact CE3-CB 3.64Å; W281-A296 HydrophobicContact CH2-CB 3.59Å; W281-A296 HydrophobicContact CZ2-CB 4.42Å; W281-A296 HydrophobicContact CZ3-CB 3.14Å; R292-A296 WeakPolarHBondContact O-CB 3.47Å; R292-A296 PolarHBondContact O-N 2.86Å; A296-E298 VanDerWaalsContact C-N 3.34Å; A296-E298 PolarHBondContact O-N 3.31Å; A296-L299 PolarHBondContact O-N 2.83Å; A296-M300 VanDerWaalsContact O-CG 3.22Å; A296-M300 WeakPolarHBondContact O-CG 3.14Å; A296-M300 PolarHBondContact O-N 2.89Å; A296-L335 HydrophobicContact CB-CD1 4.11Å; A296-F337 HydrophobicContact CB-CE2 4.23Å
297	K	96.2	Very high	93.5	Very high	128 Å²	128	52.6 Å²	52.6	56%	0.557	27%	0.27	S	S	*	.	H	α-helix	trans	-63.5	-38.9	175.5	-78.1	178.6	176.8	-177.9	0	112.6	M293 Q294 Y295	M293-K297 HydrophobicContact CG-CD 4.28Å; M293-K297 WeakPolarHBondContact O-CB 3.37Å; M293-K297 VanDerWaalsContact O-CG 3.26Å; M293-K297 WeakPolarHBondContact O-CG 3.46Å; M293-K297 PolarHBondContact O-N 3.32Å; M293-K297 HydrophobicContact SD-CD 4.29Å; M293-K297 HydrophobicContact SD-CG 4.23Å; Q294-K297 PolarHBondContact O-N 2.93Å; Y295-K297 PolarHBondContact O-N 2.93Å
298	E	97.9	Very high	94.2	Very high	33 Å²	33	47.6 Å²	47.6	15%	0.154	24%	0.238	C	C	.	.	H	α-helix	trans	-64.8	-43.5	173.9	-171.9	59.2	-146	0	0	110.7	Q294 Y295 A296 M300 K301 Y302 V389 I463	Q294-E298 PolarHBondContact O-N 2.93Å; Y295-E298 PolarHBondContact O-N 3.04Å; A296-E298 VanDerWaalsContact C-N 3.34Å; A296-E298 PolarHBondContact O-N 3.31Å; E298-M300 VanDerWaalsContact C-N 3.3Å; E298-M300 PolarHBondContact O-N 3.5Å; E298-K301 WeakPolarHBondContact O-CB 3.24Å; E298-K301 PolarHBondContact O-N 2.03Å; E298-K301 VanDerWaalsContact O-N 3.11Å; E298-K301 IonicContact OE1-NZ 3.32Å; E298-K301 VanDerWaalsContact OE2-CE 3.27Å; E298-K301 WeakPolarHBondContact OE2-CE 3.3Å; E298-K301 IonicContact OE2-NZ 3.37Å; E298-K301 PolarHBondContact OE2-NZ 3.1Å; E298-Y302 HydrophobicContact CG-CE2 4.19Å; E298-Y302 WeakPolarHBondContact O-CD2 3.37Å; E298-Y302 WeakPolarHBondContact O-CE2 3.42Å; E298-Y302 WeakPolarHBondContact OE1-CE2 3.06Å; E298-Y302 PolarHBondContact OE1-OH 3.12Å; E298-V389 HydrophobicContact CB-CB 4.47Å; E298-V389 HydrophobicContact CB-CG1 4.18Å; E298-V389 HydrophobicContact CB-CG2 4.21Å; E298-V389 HydrophobicContact CG-CB 3.84Å; E298-V389 HydrophobicContact CG-CG1 3.95Å; E298-V389 HydrophobicContact CG-CG2 3.85Å; E298-I463 HydrophobicContact CB-CG2 3.77Å; E298-I463 HydrophobicContact CG-CG2 3.9Å
299	L	98.4	Very high	95.1	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-61.7	-38.7	179.1	-174.1	61.4	0	0	0	112.2	I279 Y295 A296 K301 Y302 I303 V305 L335 V389 L392	I279-L299 HydrophobicContact CD1-CD2 4.02Å; Y295-L299 WeakPolarHBondContact O-CB 3.43Å; Y295-L299 PolarHBondContact O-N 3.13Å; A296-L299 PolarHBondContact O-N 2.83Å; L299-K301 PolarHBondContact O-N 2.73Å; L299-K301 VanDerWaalsContact O-N 3.1Å; L299-Y302 PolarHBondContact O-N 3.21Å; L299-I303 HydrophobicContact CD1-CG2 3.49Å; L299-I303 VanDerWaalsContact CD1-CG2 3.49Å; L299-I303 HydrophobicContact CD2-CG2 4.41Å; L299-I303 HydrophobicContact CG-CG2 3.58Å; L299-I303 WeakPolarHBondContact O-CG2 3.17Å; L299-I303 PolarHBondContact O-N 3.22Å; L299-I303 VanDerWaalsContact O-N 3.09Å; L299-V305 HydrophobicContact CD2-CG2 4.36Å; L299-V305 HydrophobicContact CG-CG2 4.36Å; L299-L335 HydrophobicContact CD2-CD1 4.5Å; L299-L335 HydrophobicContact CD2-CD2 4.01Å; L299-V389 HydrophobicContact CB-CG1 3.66Å; L299-V389 HydrophobicContact CD1-CG1 3.75Å; L299-V389 HydrophobicContact CG-CG1 4.32Å; L299-L392 HydrophobicContact CD1-CD2 4.25Å; L299-L392 HydrophobicContact CD1-CG 4.47Å; L299-L392 HydrophobicContact CD2-CD2 4.44Å
300	M	97.9	Very high	95.9	Very high	82 Å²	82	46.4 Å²	46.4	40%	0.404	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-18.8	177	-75.3	171.5	75.9	0	0	114.3	A296 E298 Y302 I303 V305	A296-M300 VanDerWaalsContact O-CG 3.22Å; A296-M300 WeakPolarHBondContact O-CG 3.14Å; A296-M300 PolarHBondContact O-N 2.89Å; E298-M300 VanDerWaalsContact C-N 3.3Å; E298-M300 PolarHBondContact O-N 3.5Å; M300-Y302 VanDerWaalsContact C-N 3.26Å; M300-Y302 PolarHBondContact O-N 2.94Å; M300-I303 WeakPolarHBondContact CA-O 3.47Å; M300-V305 HydrophobicContact CG-CB 3.72Å; M300-V305 HydrophobicContact CG-CG2 3.76Å
301	K	98.4	Very high	96.3	Very high	142 Å²	142	47.1 Å²	47.1	62%	0.617	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.9	-23.2	174.1	-61.5	177.3	-178.1	171.4	0	112.7	E298 L299	E298-K301 WeakPolarHBondContact O-CB 3.24Å; E298-K301 PolarHBondContact O-N 2.03Å; E298-K301 VanDerWaalsContact O-N 3.11Å; E298-K301 IonicContact OE1-NZ 3.32Å; E298-K301 VanDerWaalsContact OE2-CE 3.27Å; E298-K301 WeakPolarHBondContact OE2-CE 3.3Å; E298-K301 IonicContact OE2-NZ 3.37Å; E298-K301 PolarHBondContact OE2-NZ 3.1Å; L299-K301 PolarHBondContact O-N 2.73Å; L299-K301 VanDerWaalsContact O-N 3.1Å
302	Y	98.4	Very high	96.3	Very high	84 Å²	84	46.9 Å²	46.9	33%	0.329	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-114.5	-29.6	-171	-50.2	-61.8	0	0	0	113	E298 L299 M300 V389 K390 S393 Y397	E298-Y302 HydrophobicContact CG-CE2 4.19Å; E298-Y302 WeakPolarHBondContact O-CD2 3.37Å; E298-Y302 WeakPolarHBondContact O-CE2 3.42Å; E298-Y302 WeakPolarHBondContact OE1-CE2 3.06Å; E298-Y302 PolarHBondContact OE1-OH 3.12Å; L299-Y302 PolarHBondContact O-N 3.21Å; M300-Y302 VanDerWaalsContact C-N 3.26Å; M300-Y302 PolarHBondContact O-N 2.94Å; Y302-V389 HydrophobicContact CD2-CG1 4.27Å; Y302-V389 HydrophobicContact CE2-CG1 4.38Å; Y302-K390 HydrophobicContact CD1-CD 3.4Å; Y302-K390 VanDerWaalsContact CD1-CD 3.4Å; Y302-K390 HydrophobicContact CD2-CB 4.35Å; Y302-K390 HydrophobicContact CD2-CD 4.27Å; Y302-K390 HydrophobicContact CE1-CB 4.42Å; Y302-K390 HydrophobicContact CE1-CD 3.79Å; Y302-K390 HydrophobicContact CE2-CB 4.19Å; Y302-K390 HydrophobicContact CG-CD 3.65Å; Y302-S393 VanDerWaalsContact CB-OG 3.31Å; Y302-S393 WeakPolarHBondContact CB-OG 3.43Å; Y302-Y397 WeakPolarHBondContact O-CE2 3.49Å; Y302-Y397 PolarHBondContact O-OH 2.96Å; Y302-Y397 VanDerWaalsContact O-OH 3.13Å
303	I	98.4	Very high	96.2	Very high	4 Å²	4	54.4 Å²	54.4	2%	0.021	28%	0.284	C	S	.	.	S	Bend	trans	-143.2	145.2	-176.4	-174.6	161.1	0	0	0	111.1	M278 I279 L299 M300 V305 S393 L396 Y397	M278-I303 HydrophobicContact CB-CD1 4.08Å; M278-I303 HydrophobicContact CB-CG1 4.02Å; M278-I303 HydrophobicContact CE-CD1 3.34Å; M278-I303 HydrophobicContact CE-CG1 4.25Å; M278-I303 HydrophobicContact CG-CD1 4.24Å; M278-I303 HydrophobicContact CG-CG1 4.19Å; I279-I303 HydrophobicContact CD1-CB 4.41Å; I279-I303 HydrophobicContact CD1-CD1 3.82Å; I279-I303 HydrophobicContact CD1-CG1 3.91Å; I279-I303 HydrophobicContact CD1-CG2 3.62Å; I279-I303 HydrophobicContact CG1-CD1 4.42Å; L299-I303 HydrophobicContact CD1-CG2 3.49Å; L299-I303 VanDerWaalsContact CD1-CG2 3.49Å; L299-I303 HydrophobicContact CD2-CG2 4.41Å; L299-I303 HydrophobicContact CG-CG2 3.58Å; L299-I303 WeakPolarHBondContact O-CG2 3.17Å; L299-I303 PolarHBondContact O-N 3.22Å; L299-I303 VanDerWaalsContact O-N 3.09Å; M300-I303 WeakPolarHBondContact CA-O 3.47Å; I303-V305 PolarHBondContact O-N 2.77Å; I303-S393 WeakPolarHBondContact CB-OG 3.34Å; I303-L396 HydrophobicContact CD1-CB 3.84Å; I303-L396 HydrophobicContact CD1-CD1 4.11Å; I303-Y397 HydrophobicContact CB-CE2 4.23Å; I303-Y397 HydrophobicContact CD1-CE2 4.42Å; I303-Y397 HydrophobicContact CG1-CE2 4.43Å
304	K	98.1	Very high	96.3	Very high	141 Å²	141	56 Å²	56	61%	0.613	29%	0.292	S	S	*	.			trans	-68.4	119.8	179.2	-172.5	177.4	178.6	-173.2	0	110.7	D306	K304-D306 WeakPolarHBondContact CE-OD1 3.45Å; K304-D306 IonicContact NZ-OD1 3.83Å
305	V	98.5	Very high	96.2	Very high	11 Å²	11	57 Å²	57	7%	0.067	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	117.8	170.8	-174.4	0	0	0	0	108.2	I279 W281 L299 M300 I303 M307 L335	I279-V305 HydrophobicContact CB-CB 4.46Å; I279-V305 HydrophobicContact CB-CG1 4.36Å; I279-V305 HydrophobicContact CB-CG2 4.19Å; I279-V305 HydrophobicContact CD1-CG2 3.96Å; I279-V305 HydrophobicContact CG2-CB 4.42Å; I279-V305 HydrophobicContact CG2-CG1 3.86Å; I279-V305 HydrophobicContact CG2-CG2 4.2Å; W281-V305 HydrophobicContact CB-CG1 4.07Å; L299-V305 HydrophobicContact CD2-CG2 4.36Å; L299-V305 HydrophobicContact CG-CG2 4.36Å; M300-V305 HydrophobicContact CG-CB 3.72Å; M300-V305 HydrophobicContact CG-CG2 3.76Å; I303-V305 PolarHBondContact O-N 2.77Å; V305-M307 PolarHBondContact O-N 3.46Å; V305-L335 HydrophobicContact CG1-CD1 3.95Å
306	D	98.3	Very high	95.9	Very high	22 Å²	22	58.4 Å²	58.4	12%	0.118	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	109.9	172.1	-71.1	-28.8	0	0	0	108.9	I279 A280 W281 K304 Y308 L314 Y331	I279-D306 PolarHBondContact O-N 3.32Å; A280-D306 WeakPolarHBondContact CA-O 3.49Å; W281-D306 PolarHBondContact N-O 2.64Å; K304-D306 WeakPolarHBondContact CE-OD1 3.45Å; K304-D306 IonicContact NZ-OD1 3.83Å; D306-Y308 HydrophobicContact CB-CE2 3.76Å; D306-Y308 WeakPolarHBondContact O-CD2 3.49Å; D306-L314 HydrophobicContact CB-CD1 3.65Å; D306-Y331 HydrophobicContact CB-CE1 3.86Å; D306-Y331 WeakPolarHBondContact CB-OH 3.09Å; D306-Y331 VanDerWaalsContact CG-OH 3.22Å; D306-Y331 WeakPolarHBondContact OD2-CE1 3.45Å; D306-Y331 PolarHBondContact OD2-OH 3.36Å
307	M	97.1	Very high	95.4	Very high	30 Å²	30	64 Å²	64	15%	0.148	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	121	-175.5	-171.6	167.1	44.8	0	0	110.3	W281 V283 M293 V305 C311 G312 N313 L314	W281-M307 HydrophobicContact CE3-CG 4Å; W281-M307 HydrophobicContact CE3-SD 3.64Å; W281-M307 HydrophobicContact CZ3-SD 3.65Å; W281-M307 WeakPolarHBondContact O-CA 3.2Å; V283-M307 HydrophobicContact CG1-CG 3.55Å; V283-M307 HydrophobicContact CG1-SD 3.84Å; M293-M307 HydrophobicContact CE-SD 4.48Å; V305-M307 PolarHBondContact O-N 3.46Å; M307-C311 WeakPolarHBondContact CE-O 3.28Å; M307-C311 HydrophobicContact SD-CB 4.37Å; M307-G312 WeakPolarHBondContact O-CA 3.3Å; M307-N313 PolarHBondContact O-N 3.09Å; M307-L314 WeakPolarHBondContact O-CB 3.4Å; M307-L314 PolarHBondContact O-N 2.8Å
308	Y	96.2	Very high	94.6	Very high	17 Å²	17	66.9 Å²	66.9	7%	0.067	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	152.1	-179.3	-60.2	-104.2	0	0	0	111.8	A280 W281 F282 V283 D306 L314 C316 L326 Y331	A280-Y308 HydrophobicContact CB-CE2 4.42Å; W281-Y308 PolarHBondContact O-N 2.74Å; F282-Y308 AromaticContact CD1-CD2 3.69Å; F282-Y308 HydrophobicContact CD1-CD2 3.69Å; F282-Y308 AromaticContact CD1-CG 3.82Å; F282-Y308 HydrophobicContact CD1-CG 3.82Å; F282-Y308 HydrophobicContact CE1-CD1 4.37Å; F282-Y308 AromaticContact CE1-CD2 3.5Å; F282-Y308 HydrophobicContact CE1-CD2 3.5Å; F282-Y308 HydrophobicContact CE1-CE2 4.05Å; F282-Y308 AromaticContact CE1-CG 3.69Å; F282-Y308 HydrophobicContact CE1-CG 3.69Å; V283-Y308 PolarHBondContact N-O 3.45Å; D306-Y308 HydrophobicContact CB-CE2 3.76Å; D306-Y308 WeakPolarHBondContact O-CD2 3.49Å; Y308-L314 CarbonylContact C-O 3.27Å; Y308-L314 WeakPolarHBondContact CA-O 3.16Å; Y308-L314 HydrophobicContact CD1-CB 3.34Å; Y308-L314 HydrophobicContact CD1-CD1 4.32Å; Y308-L314 HydrophobicContact CD1-CG 4.47Å; Y308-L314 HydrophobicContact CD2-CB 4.36Å; Y308-L314 HydrophobicContact CD2-CD1 4.25Å; Y308-L314 HydrophobicContact CE1-CB 3.55Å; Y308-L314 HydrophobicContact CE1-CD1 3.89Å; Y308-L314 HydrophobicContact CE1-CG 4.32Å; Y308-L314 HydrophobicContact CE2-CD1 3.8Å; Y308-L314 HydrophobicContact CG-CB 3.79Å; Y308-L314 HydrophobicContact CG-CD1 4.49Å; Y308-C316 HydrophobicContact CD1-CB 3.71Å; Y308-C316 HydrophobicContact CG-CB 4.16Å; Y308-L326 HydrophobicContact CE1-CD2 4.1Å; Y308-L326 HydrophobicContact CE2-CD2 4.3Å; Y308-Y331 HydrophobicContact CE2-CE2 4.43Å; Y308-Y331 PolarHBondContact OH-OH 2.96Å
309	G	93.7	Very high	93.7	Very high	23 Å²	23	74.4 Å²	74.4	24%	0.237	38%	0.383	C	S	.	.	S	Bend	trans	93.1	-168.7	177.6	0	0	0	0	0	112.5	V283 C311 G312 L314	V283-G309 CarbonylContact O-C 3.58Å; G309-C311 PolarHBondContact O-N 3.49Å; G309-G312 PolarHBondContact O-N 3.31Å; G309-L314 PolarHBondContact N-O 2.85Å
310	G	91.8	Very high	93.1	Very high	68 Å²	68	77 Å²	77	70%	0.701	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.3	-12.4	-169.5	0	0	0	0	0	116.7	V283	V283-G310 PolarHBondContact O-N 3.39Å
311	C	93.3	Very high	92.7	Very high	24 Å²	24	77.1 Å²	77.1	16%	0.162	41%	0.406	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.1	-7.2	175.4	-44.8	0	0	0	0	113.7	V283 S284 C286 M293 M307 G309	V283-C311 HydrophobicContact CG1-CB 3.96Å; V283-C311 HydrophobicContact CG2-CB 4.27Å; V283-C311 PolarHBondContact O-N 3.07Å; S284-C311 VanDerWaalsContact C-SG 3.5Å; C286-C311 WeakPolarHBondContact CA-SG 3.47Å; C286-C311 HydrophobicContact CB-CB 3.88Å; C286-C311 WeakPolarHBondContact CB-SG 3.07Å; C286-C311 PolarHBondContact N-SG 2.92Å; C286-C311 WeakPolarHBondContact SG-CA 3.02Å; C286-C311 WeakPolarHBondContact SG-CB 3.36Å; C286-C311 CovalentContact SG-SG 2.03Å; C286-C311 PolarHBondContact SG-SG 3.5Å; M293-C311 HydrophobicContact CE-CB 3.8Å; M307-C311 WeakPolarHBondContact CE-O 3.28Å; M307-C311 HydrophobicContact SD-CB 4.37Å; G309-C311 PolarHBondContact O-N 3.49Å
312	G	91	Very high	92.5	Very high	15 Å²	15	77.6 Å²	77.6	16%	0.155	41%	0.408	C	S	.	.	S	Bend	trans	-109.5	176.8	-177.3	0	0	0	0	0	113.2	M307 G309	M307-G312 WeakPolarHBondContact O-CA 3.3Å; G309-G312 PolarHBondContact O-N 3.31Å
313	N	93.5	Very high	92.3	Very high	163 Å²	163	73.9 Å²	73.9	87%	0.872	39%	0.394	S	S	*	.	S	Bend	trans	-100.8	-0.5	175.3	-63.8	-21.8	0	0	0	112.3	M307	M307-N313 PolarHBondContact O-N 3.09Å
314	L	96.3	Very high	92.1	Very high	65 Å²	65	76 Å²	76	34%	0.34	40%	0.404	S	S	.	.	B	Isolated β-bridge	trans	-110.3	150	178.7	-56	172.8	0	0	0	109.7	D306 M307 Y308 G309	D306-L314 HydrophobicContact CB-CD1 3.65Å; M307-L314 WeakPolarHBondContact O-CB 3.4Å; M307-L314 PolarHBondContact O-N 2.8Å; Y308-L314 CarbonylContact C-O 3.27Å; Y308-L314 WeakPolarHBondContact CA-O 3.16Å; Y308-L314 HydrophobicContact CD1-CB 3.34Å; Y308-L314 HydrophobicContact CD1-CD1 4.32Å; Y308-L314 HydrophobicContact CD1-CG 4.47Å; Y308-L314 HydrophobicContact CD2-CB 4.36Å; Y308-L314 HydrophobicContact CD2-CD1 4.25Å; Y308-L314 HydrophobicContact CE1-CB 3.55Å; Y308-L314 HydrophobicContact CE1-CD1 3.89Å; Y308-L314 HydrophobicContact CE1-CG 4.32Å; Y308-L314 HydrophobicContact CE2-CD1 3.8Å; Y308-L314 HydrophobicContact CG-CB 3.79Å; Y308-L314 HydrophobicContact CG-CD1 4.49Å; G309-L314 PolarHBondContact N-O 2.85Å
315	N	93.1	Very high	92	Very high	145 Å²	145	73.2 Å²	73.2	78%	0.775	39%	0.393	S	S	*	.			trans	-109.5	133.5	-178.9	-65.7	-37	0	0	0	110.3
316	C	91.1	Very high	91.9	Very high	29 Å²	29	74.7 Å²	74.7	20%	0.196	40%	0.4	C	S	.	.			trans	-150.3	112	169.6	-133.8	0	0	0	0	108.2	F282 Y308 C323	F282-C316 HydrophobicContact CE1-CB 4.32Å; F282-C316 HydrophobicContact CZ-CB 4.27Å; Y308-C316 HydrophobicContact CD1-CB 3.71Å; Y308-C316 HydrophobicContact CG-CB 4.16Å; C316-C323 VanDerWaalsContact C-SG 3.52Å; C316-C323 WeakPolarHBondContact CA-SG 3.5Å; C316-C323 HydrophobicContact CB-CB 4.11Å; C316-C323 WeakPolarHBondContact CB-SG 3.43Å; C316-C323 WeakPolarHBondContact SG-CA 3.23Å; C316-C323 WeakPolarHBondContact SG-CB 3.06Å; C316-C323 CovalentContact SG-SG 2.02Å; C316-C323 PolarHBondContact SG-SG 2.9Å
317	D	86.1	Confident	91.8	Very high	119 Å²	119	73.6 Å²	73.6	64%	0.636	39%	0.394	S	S	*	.			trans	-73.4	134.6	-178.8	-69.1	-34.5	0	0	0	110.3	H319 D320 C323	D317-H319 PolarHBondContact O-N 3.13Å; D317-D320 HydrophobicContact CB-CB 4.12Å; D317-D320 PolarHBondContact O-N 3.22Å; D317-C323 PolarHBondContact O-SG 3.18Å; D317-C323 VanDerWaalsContact O-SG 3.41Å
318	R	79.6	Confident	91.7	Very high	188 Å²	188	75.6 Å²	75.6	71%	0.709	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.7	-25.1	-176.1	-69.4	-178.9	-179.9	168.2	-4.9	114.1	S284	S284-R318 PolarHBondContact OG-NH2 3.49Å
319	H	77.9	Confident	91.8	Very high	190 Å²	190	78.3 Å²	78.3	88%	0.88	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.4	-2.4	-178.9	-57.5	-62.3	0	0	0	113.1	D317 S321	D317-H319 PolarHBondContact O-N 3.13Å; H319-S321 PolarHBondContact O-N 3.16Å
320	D	87.1	Confident	92	Very high	55 Å²	55	79.4 Å²	79.4	29%	0.294	42%	0.418	S	S	.	.			trans	-84.9	114.6	178	-169.6	-8.3	0	0	0	110.2	D317 K322 C323	D317-D320 HydrophobicContact CB-CB 4.12Å; D317-D320 PolarHBondContact O-N 3.22Å; D320-K322 PolarHBondContact O-N 3.5Å; D320-K322 VanDerWaalsContact O-N 3.14Å; D320-K322 VanDerWaalsContact OD1-CB 3.26Å; D320-K322 WeakPolarHBondContact OD1-CB 3.35Å; D320-K322 VanDerWaalsContact OD1-CG 3.26Å; D320-K322 WeakPolarHBondContact OD1-CG 3.15Å; D320-K322 PolarHBondContact OD1-N 3.14Å; D320-C323 VanDerWaalsContact O-CB 3.28Å; D320-C323 WeakPolarHBondContact O-CB 3.37Å; D320-C323 PolarHBondContact O-N 2.86Å
321	S	89.8	Confident	92.3	Very high	85 Å²	85	76.2 Å²	76.2	59%	0.594	39%	0.385	S	S	*	.	H	α-helix	trans	-60.2	-22.4	176	57.8	0	0	0	0	112.9	H319 C323 F324 E325	H319-S321 PolarHBondContact O-N 3.16Å; S321-C323 PolarHBondContact O-N 3.17Å; S321-F324 PolarHBondContact O-N 2.77Å; S321-F324 VanDerWaalsContact O-N 3.16Å; S321-E325 PolarHBondContact O-N 3.2Å; S321-E325 VanDerWaalsContact O-N 3.13Å
322	K	93.5	Very high	92.5	Very high	151 Å²	151	75.7 Å²	75.7	66%	0.657	38%	0.38	S	S	*	.	H	α-helix	trans	-62.4	-27	173.9	-63.8	172.6	-173.2	166.7	0	112.6	D320 F324 E325 L326	D320-K322 PolarHBondContact O-N 3.5Å; D320-K322 VanDerWaalsContact O-N 3.14Å; D320-K322 VanDerWaalsContact OD1-CB 3.26Å; D320-K322 WeakPolarHBondContact OD1-CB 3.35Å; D320-K322 VanDerWaalsContact OD1-CG 3.26Å; D320-K322 WeakPolarHBondContact OD1-CG 3.15Å; D320-K322 PolarHBondContact OD1-N 3.14Å; K322-F324 VanDerWaalsContact C-N 3.35Å; K322-E325 PolarHBondContact O-N 3.34Å; K322-L326 VanDerWaalsContact O-CB 3.28Å; K322-L326 WeakPolarHBondContact O-CB 3.5Å; K322-L326 PolarHBondContact O-N 3.26Å
323	C	95.2	Very high	92.9	Very high	6 Å²	6	75 Å²	75	4%	0.041	37%	0.373	C	S	.	.	H	α-helix	trans	-65	-40.8	175.2	-70	0	0	0	0	112	F282 C316 D317 D320 S321 L326 L327	F282-C323 HydrophobicContact CE2-CB 4.06Å; F282-C323 HydrophobicContact CZ-CB 4.17Å; C316-C323 VanDerWaalsContact C-SG 3.52Å; C316-C323 WeakPolarHBondContact CA-SG 3.5Å; C316-C323 HydrophobicContact CB-CB 4.11Å; C316-C323 WeakPolarHBondContact CB-SG 3.43Å; C316-C323 WeakPolarHBondContact SG-CA 3.23Å; C316-C323 WeakPolarHBondContact SG-CB 3.06Å; C316-C323 CovalentContact SG-SG 2.02Å; C316-C323 PolarHBondContact SG-SG 2.9Å; D317-C323 PolarHBondContact O-SG 3.18Å; D317-C323 VanDerWaalsContact O-SG 3.41Å; D320-C323 VanDerWaalsContact O-CB 3.28Å; D320-C323 WeakPolarHBondContact O-CB 3.37Å; D320-C323 PolarHBondContact O-N 2.86Å; S321-C323 PolarHBondContact O-N 3.17Å; C323-L326 PolarHBondContact O-N 2.82Å; C323-L327 WeakPolarHBondContact O-CG 3.16Å; C323-L327 PolarHBondContact O-N 3.1Å
324	F	94.1	Very high	93.2	Very high	50 Å²	50	67.2 Å²	67.2	22%	0.219	33%	0.331	C	S	.	.	H	α-helix	trans	-69.7	-40.2	175.8	-65.7	-44.3	0	0	0	111.7	S321 K322 L326 L327 K328 L352 N357	S321-F324 PolarHBondContact O-N 2.77Å; S321-F324 VanDerWaalsContact O-N 3.16Å; K322-F324 VanDerWaalsContact C-N 3.35Å; F324-L326 VanDerWaalsContact C-N 3.35Å; F324-L326 PolarHBondContact O-N 3.14Å; F324-L327 HydrophobicContact CD1-CD1 4.42Å; F324-L327 PolarHBondContact O-N 3.2Å; F324-K328 VanDerWaalsContact O-CB 3.28Å; F324-K328 WeakPolarHBondContact O-CB 3.46Å; F324-K328 PolarHBondContact O-N 2.6Å; F324-L352 HydrophobicContact CE1-CD2 4.42Å; F324-L352 HydrophobicContact CE1-CG 4.12Å; F324-L352 HydrophobicContact CZ-CD1 4.45Å; F324-L352 HydrophobicContact CZ-CD2 3.85Å; F324-L352 HydrophobicContact CZ-CG 3.96Å; F324-N357 WeakPolarHBondContact CB-OD1 3.27Å; F324-N357 VanDerWaalsContact CD1-ND2 3.29Å; F324-N357 WeakPolarHBondContact CD1-ND2 3.36Å; F324-N357 PolarHBondContact O-OD1 2.91Å
325	E	95	Very high	93.3	Very high	82 Å²	82	64.1 Å²	64.1	38%	0.383	32%	0.315	S	S	.	.	H	α-helix	trans	-64.3	-38.2	173.2	-73	-60.6	138	0	0	112.4	S321 K322 K328 N329	S321-E325 PolarHBondContact O-N 3.2Å; S321-E325 VanDerWaalsContact O-N 3.13Å; K322-E325 PolarHBondContact O-N 3.34Å; E325-K328 PolarHBondContact O-N 2.88Å; E325-K328 IonicContact OE1-NZ 3.68Å; E325-K328 PolarHBondContact OE1-NZ 3.24Å; E325-K328 VanDerWaalsContact OE1-NZ 3.16Å; E325-K328 IonicContact OE2-NZ 3.3Å; E325-N329 VanDerWaalsContact O-CB 3.25Å; E325-N329 WeakPolarHBondContact O-CB 3.43Å; E325-N329 PolarHBondContact O-N 3.31Å; E325-N329 PolarHBondContact O-ND2 2.93Å; E325-N329 PolarHBondContact OE2-ND2 3.06Å
326	L	95.7	Very high	93.5	Very high	41 Å²	41	57.2 Å²	57.2	22%	0.215	28%	0.278	C	S	.	.	H	α-helix	trans	-59.7	-48.6	172.4	170	116.8	0	0	0	111.3	F282 Y308 K322 C323 F324 K328 D330 Y331	F282-L326 HydrophobicContact CE1-CD2 4.46Å; F282-L326 HydrophobicContact CZ-CD2 4.31Å; Y308-L326 HydrophobicContact CE1-CD2 4.1Å; Y308-L326 HydrophobicContact CE2-CD2 4.3Å; K322-L326 VanDerWaalsContact O-CB 3.28Å; K322-L326 WeakPolarHBondContact O-CB 3.5Å; K322-L326 PolarHBondContact O-N 3.26Å; C323-L326 PolarHBondContact O-N 2.82Å; F324-L326 VanDerWaalsContact C-N 3.35Å; F324-L326 PolarHBondContact O-N 3.14Å; L326-K328 VanDerWaalsContact C-N 3.34Å; L326-K328 PolarHBondContact O-N 3.35Å; L326-D330 VanDerWaalsContact O-CB 3.28Å; L326-D330 WeakPolarHBondContact O-CB 3.48Å; L326-D330 PolarHBondContact O-N 2.03Å; L326-Y331 HydrophobicContact CD1-CE2 4.5Å; L326-Y331 HydrophobicContact CD2-CD2 4.37Å; L326-Y331 HydrophobicContact CD2-CE2 3.75Å; L326-Y331 HydrophobicContact CG-CD2 4.41Å; L326-Y331 HydrophobicContact CG-CE2 3.91Å
327	L	96.3	Very high	93.8	Very high	0 Å²	0	56 Å²	56	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-56.5	-50.3	175	-72.4	179.1	0	0	0	111.2	A280 F282 C323 F324 N329 Y331 Y334 N353 N357 V359	A280-L327 HydrophobicContact CB-CD2 3.34Å; F282-L327 HydrophobicContact CD2-CD1 4.23Å; F282-L327 HydrophobicContact CE1-CD2 3.97Å; F282-L327 HydrophobicContact CE1-CG 4.32Å; F282-L327 HydrophobicContact CE2-CD1 3.47Å; F282-L327 VanDerWaalsContact CE2-CD1 3.47Å; F282-L327 HydrophobicContact CE2-CD2 4.32Å; F282-L327 HydrophobicContact CE2-CG 3.91Å; F282-L327 HydrophobicContact CZ-CD1 3.68Å; F282-L327 HydrophobicContact CZ-CD2 3.72Å; F282-L327 HydrophobicContact CZ-CG 3.56Å; C323-L327 WeakPolarHBondContact O-CG 3.16Å; C323-L327 PolarHBondContact O-N 3.1Å; F324-L327 HydrophobicContact CD1-CD1 4.42Å; F324-L327 PolarHBondContact O-N 3.2Å; L327-N329 PolarHBondContact O-N 2.9Å; L327-Y331 HydrophobicContact CD2-CD2 4.29Å; L327-Y331 PolarHBondContact O-N 2.91Å; L327-Y334 HydrophobicContact CD1-CD2 4.16Å; L327-Y334 HydrophobicContact CD1-CE2 4.2Å; L327-Y334 HydrophobicContact CD2-CD2 3.67Å; L327-Y334 HydrophobicContact CD2-CE2 4.15Å; L327-N353 HydrophobicContact CD1-CB 4.21Å; L327-N353 WeakPolarHBondContact CD1-O 3.47Å; L327-N357 HydrophobicContact CB-CB 4.44Å; L327-V359 HydrophobicContact CB-CG2 4.16Å; L327-V359 WeakPolarHBondContact O-CG2 3.35Å
328	K	96.2	Very high	94.3	Very high	72 Å²	72	50.3 Å²	50.3	31%	0.313	24%	0.239	S	C	.	.	H	α-helix	trans	-65	-37.7	-176.3	177.9	-178.8	163.4	-161.6	0	113.8	K275 F324 E325 L326 N357	K275-K328 WeakPolarHBondContact CE-O 3.48Å; K275-K328 PolarHBondContact NZ-O 3.35Å; F324-K328 VanDerWaalsContact O-CB 3.28Å; F324-K328 WeakPolarHBondContact O-CB 3.46Å; F324-K328 PolarHBondContact O-N 2.6Å; E325-K328 PolarHBondContact O-N 2.88Å; E325-K328 IonicContact OE1-NZ 3.68Å; E325-K328 PolarHBondContact OE1-NZ 3.24Å; E325-K328 VanDerWaalsContact OE1-NZ 3.16Å; E325-K328 IonicContact OE2-NZ 3.3Å; L326-K328 VanDerWaalsContact C-N 3.34Å; L326-K328 PolarHBondContact O-N 3.35Å; K328-N357 WeakPolarHBondContact CA-O 3.31Å; K328-N357 HydrophobicContact CB-CB 4.25Å; K328-N357 WeakPolarHBondContact CB-O 3.39Å; K328-N357 WeakPolarHBondContact CG-O 3.26Å
329	N	96.8	Very high	94.9	Very high	73 Å²	73	42.7 Å²	42.7	39%	0.39	21%	0.212	S	C	.	.	H	α-helix	trans	-95.5	-30.8	-172.5	-61	-37.7	0	0	0	112.5	G274 K275 E325 L327	G274-N329 CarbonylContact C-O 3.51Å; G274-N329 VanDerWaalsContact C-O 3.27Å; K275-N329 WeakPolarHBondContact CA-O 3.31Å; K275-N329 PolarHBondContact N-O 3.49Å; E325-N329 VanDerWaalsContact O-CB 3.25Å; E325-N329 WeakPolarHBondContact O-CB 3.43Å; E325-N329 PolarHBondContact O-N 3.31Å; E325-N329 PolarHBondContact O-ND2 2.93Å; E325-N329 PolarHBondContact OE2-ND2 3.06Å; L327-N329 PolarHBondContact O-N 2.9Å
330	D	97.9	Very high	95.6	Very high	47 Å²	47	33.8 Å²	33.8	25%	0.251	17%	0.171	S	C	.	.	H	α-helix	trans	-104.6	-34.1	-170.6	-62.5	-3.7	0	0	0	113.8	K275 T276 K277 L326	K275-D330 CarbonylContact C-O 3.59Å; K275-D330 WeakPolarHBondContact CA-O 3.38Å; T276-D330 PolarHBondContact N-O 3.22Å; K277-D330 WeakPolarHBondContact CA-O 3.46Å; K277-D330 WeakPolarHBondContact CB-O 3.39Å; K277-D330 HydrophobicContact CD-CB 3.88Å; K277-D330 HydrophobicContact CG-CB 4.23Å; K277-D330 PolarHBondContact N-O 3.3Å; K277-D330 IonicContact NZ-OD2 3.73Å; K277-D330 PolarHBondContact NZ-OD2 3.44Å; L326-D330 VanDerWaalsContact O-CB 3.28Å; L326-D330 WeakPolarHBondContact O-CB 3.48Å; L326-D330 PolarHBondContact O-N 2.03Å
331	Y	98.6	Very high	95.9	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	138.8	-165.9	-70.6	-85.8	0	0	0	113.8	K275 K277 I279 A280 D306 Y308 L326 L327	K275-Y331 WeakPolarHBondContact CD-O 3.45Å; K275-Y331 WeakPolarHBondContact CE-O 3.01Å; K275-Y331 PolarHBondContact NZ-O 3.08Å; K277-Y331 HydrophobicContact CB-CD1 3.46Å; K277-Y331 VanDerWaalsContact CB-CD1 3.46Å; K277-Y331 HydrophobicContact CB-CE1 3.42Å; K277-Y331 VanDerWaalsContact CB-CE1 3.42Å; K277-Y331 HydrophobicContact CB-CG 4.06Å; K277-Y331 HydrophobicContact CD-CD1 4.38Å; K277-Y331 HydrophobicContact CD-CD2 4.4Å; K277-Y331 HydrophobicContact CD-CE1 3.7Å; K277-Y331 HydrophobicContact CD-CE2 3.74Å; K277-Y331 VanDerWaalsContact CD-OH 3.29Å; K277-Y331 WeakPolarHBondContact CD-OH 3.34Å; K277-Y331 HydrophobicContact CG-CE1 4.2Å; K277-Y331 WeakPolarHBondContact O-CA 3.44Å; I279-Y331 WeakPolarHBondContact O-CE1 3.42Å; A280-Y331 HydrophobicContact CB-CD1 3.6Å; A280-Y331 HydrophobicContact CB-CD2 3.83Å; A280-Y331 HydrophobicContact CB-CE1 3.72Å; A280-Y331 HydrophobicContact CB-CE2 3.94Å; A280-Y331 HydrophobicContact CB-CG 3.65Å; A280-Y331 VanDerWaalsContact N-CD1 3.32Å; D306-Y331 HydrophobicContact CB-CE1 3.86Å; D306-Y331 WeakPolarHBondContact CB-OH 3.09Å; D306-Y331 VanDerWaalsContact CG-OH 3.22Å; D306-Y331 WeakPolarHBondContact OD2-CE1 3.45Å; D306-Y331 PolarHBondContact OD2-OH 3.36Å; Y308-Y331 HydrophobicContact CE2-CE2 4.43Å; Y308-Y331 PolarHBondContact OH-OH 2.96Å; L326-Y331 HydrophobicContact CD1-CE2 4.5Å; L326-Y331 HydrophobicContact CD2-CD2 4.37Å; L326-Y331 HydrophobicContact CD2-CE2 3.75Å; L326-Y331 HydrophobicContact CG-CD2 4.41Å; L326-Y331 HydrophobicContact CG-CE2 3.91Å; L327-Y331 HydrophobicContact CD2-CD2 4.29Å; L327-Y331 PolarHBondContact O-N 2.91Å
332	K	98.7	Very high	96.1	Very high	14 Å²	14	27.8 Å²	27.8	6%	0.061	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	-37.7	173.5	-66.5	-168.6	177.5	-164.4	0	113.1	K275 K277 M278 V359 V360 D400 Y406	K275-K332 HydrophobicContact CB-CG 3.79Å; K275-K332 HydrophobicContact CD-CG 4.26Å; K275-K332 VanDerWaalsContact O-CE 3.28Å; K275-K332 WeakPolarHBondContact O-CE 3.48Å; K277-K332 PolarHBondContact O-N 3.26Å; M278-K332 PolarHBondContact O-N 2.66Å; K332-V359 WeakPolarHBondContact O-CG1 3.48Å; K332-V360 PolarHBondContact O-N 3.47Å; K332-D400 HydrophobicContact CD-CB 4.34Å; K332-D400 VanDerWaalsContact CD-OD1 3.31Å; K332-D400 WeakPolarHBondContact CD-OD1 3.05Å; K332-D400 WeakPolarHBondContact CE-OD1 3.47Å; K332-D400 PolarHBondContact NZ-O 3.43Å; K332-D400 VanDerWaalsContact NZ-O 3.08Å; K332-D400 IonicContact NZ-OD1 3.24Å; K332-D400 PolarHBondContact NZ-OD1 2.88Å; K332-Y406 WeakPolarHBondContact CA-OH 3.45Å; K332-Y406 HydrophobicContact CB-CE2 3.77Å; K332-Y406 HydrophobicContact CD-CE2 4.4Å; K332-Y406 HydrophobicContact CG-CE2 4.2Å; K332-Y406 PolarHBondContact O-OH 3.42Å
333	F	98.9	Very high	96.2	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	151.2	-174.5	-49.9	-75.3	0	0	0	112	M278 I279 A280 V360 I362 I381 L396 L399 Y406	M278-F333 HydrophobicContact CE-CE2 4.03Å; M278-F333 WeakPolarHBondContact O-CD2 3.3Å; M278-F333 PolarHBondContact O-N 3.34Å; I279-F333 WeakPolarHBondContact CA-O 3.48Å; I279-F333 HydrophobicContact CG1-CB 3.95Å; I279-F333 HydrophobicContact CG1-CD2 4.31Å; A280-F333 PolarHBondContact N-O 3.33Å; F333-V360 VanDerWaalsContact CA-O 3.29Å; F333-V360 WeakPolarHBondContact CA-O 3.45Å; F333-V360 HydrophobicContact CD1-CB 3.8Å; F333-V360 HydrophobicContact CD1-CG1 4.22Å; F333-V360 HydrophobicContact CE1-CB 4.15Å; F333-V360 HydrophobicContact CE1-CG1 4.46Å; F333-V360 HydrophobicContact CE1-CG2 4.48Å; F333-I362 HydrophobicContact CB-CD1 3.71Å; F333-I362 HydrophobicContact CB-CG1 4.24Å; F333-I362 HydrophobicContact CG-CD1 4.22Å; F333-I381 HydrophobicContact CD1-CD1 4.18Å; F333-I381 HydrophobicContact CE1-CD1 4.06Å; F333-L396 HydrophobicContact CD1-CD2 3.72Å; F333-L396 HydrophobicContact CD2-CB 4.48Å; F333-L396 HydrophobicContact CD2-CD2 4.2Å; F333-L396 HydrophobicContact CE1-CD2 3.73Å; F333-L396 HydrophobicContact CE2-CB 4.12Å; F333-L396 HydrophobicContact CE2-CD2 4.2Å; F333-L396 HydrophobicContact CG-CD2 3.99Å; F333-L396 HydrophobicContact CZ-CB 4.39Å; F333-L396 HydrophobicContact CZ-CD2 3.99Å; F333-L399 HydrophobicContact CE1-CB 4.3Å; F333-L399 HydrophobicContact CE1-CD1 3.82Å; F333-L399 HydrophobicContact CZ-CB 3.78Å; F333-L399 HydrophobicContact CZ-CD1 4.11Å; F333-Y406 HydrophobicContact CE1-CD2 4.23Å; F333-Y406 HydrophobicContact CE1-CE2 4.09Å; F333-Y406 HydrophobicContact CZ-CD2 4.14Å; F333-Y406 HydrophobicContact CZ-CE2 4.17Å
334	Y	98.8	Very high	96.1	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	128.7	175.2	-179.4	-99.2	0	0	0	110.5	A280 F282 L327 S336 K349 N353 A354 V360 P361 I362	A280-Y334 HydrophobicContact CB-CD2 4.12Å; A280-Y334 WeakPolarHBondContact O-CA 3.26Å; A280-Y334 WeakPolarHBondContact O-CD2 3.07Å; F282-Y334 HydrophobicContact CB-CE2 4.26Å; F282-Y334 WeakPolarHBondContact CB-OH 3.28Å; F282-Y334 HydrophobicContact CD1-CE2 4.18Å; F282-Y334 HydrophobicContact CD2-CE2 4.19Å; F282-Y334 AromaticContact CG-CE2 3.94Å; F282-Y334 HydrophobicContact CG-CE2 3.94Å; L327-Y334 HydrophobicContact CD1-CD2 4.16Å; L327-Y334 HydrophobicContact CD1-CE2 4.2Å; L327-Y334 HydrophobicContact CD2-CD2 3.67Å; L327-Y334 HydrophobicContact CD2-CE2 4.15Å; Y334-S336 WeakPolarHBondContact CD1-OG 3.44Å; Y334-S336 PolarHBondContact O-N 3.31Å; Y334-K349 HydrophobicContact CE1-CB 4.32Å; Y334-K349 WeakPolarHBondContact CE1-O 3.42Å; Y334-N353 HydrophobicContact CD1-CB 4.03Å; Y334-N353 HydrophobicContact CE1-CB 3.52Å; Y334-N353 HydrophobicContact CE2-CB 4.17Å; Y334-N353 PolarHBondContact OH-ND2 3.36Å; Y334-A354 HydrophobicContact CD1-CB 4.04Å; Y334-A354 HydrophobicContact CG-CB 4.42Å; Y334-V360 PolarHBondContact N-O 3.17Å; Y334-P361 WeakPolarHBondContact O-CA 3.23Å; Y334-I362 PolarHBondContact O-N 2.79Å
335	L	98.7	Very high	96.3	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	100.2	174	-61.4	-170.7	0	0	0	109.9	I279 A280 W281 A296 L299 V305 F337 I362	I279-L335 HydrophobicContact CG2-CD1 4.25Å; I279-L335 HydrophobicContact CG2-CD2 3.74Å; I279-L335 HydrophobicContact CG2-CG 3.53Å; A280-L335 PolarHBondContact O-N 2.92Å; W281-L335 HydrophobicContact CB-CB 3.94Å; W281-L335 HydrophobicContact CB-CD1 3.98Å; W281-L335 HydrophobicContact CB-CG 4.14Å; W281-L335 VanDerWaalsContact CD1-O 3.26Å; W281-L335 HydrophobicContact CD2-CB 4.36Å; W281-L335 HydrophobicContact CD2-CD1 3.96Å; W281-L335 HydrophobicContact CE3-CD1 4.21Å; W281-L335 HydrophobicContact CG-CB 3.69Å; W281-L335 HydrophobicContact CG-CD1 3.9Å; W281-L335 HydrophobicContact CG-CG 4.22Å; A296-L335 HydrophobicContact CB-CD1 4.11Å; L299-L335 HydrophobicContact CD2-CD1 4.5Å; L299-L335 HydrophobicContact CD2-CD2 4.01Å; V305-L335 HydrophobicContact CG1-CD1 3.95Å; L335-F337 HydrophobicContact CB-CD1 4.26Å; L335-F337 HydrophobicContact CB-CD2 4.41Å; L335-F337 HydrophobicContact CB-CE1 4.34Å; L335-F337 HydrophobicContact CB-CE2 4.5Å; L335-F337 HydrophobicContact CB-CG 4.31Å; L335-F337 HydrophobicContact CB-CZ 4.47Å; L335-F337 HydrophobicContact CD1-CD2 4.35Å; L335-F337 HydrophobicContact CD1-CE2 3.89Å; L335-F337 HydrophobicContact CD1-CZ 4.15Å; L335-F337 HydrophobicContact CD2-CE1 4.01Å; L335-F337 HydrophobicContact CD2-CE2 4.4Å; L335-F337 HydrophobicContact CD2-CZ 3.83Å; L335-F337 HydrophobicContact CG-CE2 4.49Å; L335-F337 HydrophobicContact CG-CZ 4.36Å; L335-F337 PolarHBondContact O-N 3.29Å; L335-I362 HydrophobicContact CD2-CB 3.93Å; L335-I362 HydrophobicContact CD2-CD1 3.83Å; L335-I362 HydrophobicContact CD2-CG1 4.49Å; L335-I362 HydrophobicContact CD2-CG2 4.14Å
336	S	98.2	Very high	96.4	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	8%	0.075	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	49.4	176.8	-55.3	0	0	0	0	110.7	Y334 K349 P361 I362	Y334-S336 WeakPolarHBondContact CD1-OG 3.44Å; Y334-S336 PolarHBondContact O-N 3.31Å; S336-K349 PolarHBondContact OG-O 2.68Å; S336-P361 VanDerWaalsContact OG-CB 3.26Å; S336-P361 WeakPolarHBondContact OG-CB 3.23Å; S336-I362 PolarHBondContact N-O 3.12Å
337	F	97.4	Very high	96.4	Very high	2 Å²	2	13 Å²	13	1%	0.009	7%	0.065	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	124.1	-175.8	-69.7	-2.1	0	0	0	111	W281 R292 Y295 A296 L335 K349 I362 M364 V383	W281-F337 HydrophobicContact CZ2-CD2 4.19Å; R292-F337 HydrophobicContact CB-CB 3.86Å; R292-F337 HydrophobicContact CB-CD2 3.85Å; R292-F337 HydrophobicContact CB-CG 4.29Å; Y295-F337 AromaticContact CD1-CE2 3.9Å; Y295-F337 HydrophobicContact CD1-CE2 3.9Å; Y295-F337 AromaticContact CD1-CZ 3.65Å; Y295-F337 HydrophobicContact CD1-CZ 3.65Å; Y295-F337 HydrophobicContact CE1-CZ 4.13Å; Y295-F337 HydrophobicContact CG-CE2 4.41Å; Y295-F337 HydrophobicContact CG-CZ 4.42Å; A296-F337 HydrophobicContact CB-CE2 4.23Å; L335-F337 HydrophobicContact CB-CD1 4.26Å; L335-F337 HydrophobicContact CB-CD2 4.41Å; L335-F337 HydrophobicContact CB-CE1 4.34Å; L335-F337 HydrophobicContact CB-CE2 4.5Å; L335-F337 HydrophobicContact CB-CG 4.31Å; L335-F337 HydrophobicContact CB-CZ 4.47Å; L335-F337 HydrophobicContact CD1-CD2 4.35Å; L335-F337 HydrophobicContact CD1-CE2 3.89Å; L335-F337 HydrophobicContact CD1-CZ 4.15Å; L335-F337 HydrophobicContact CD2-CE1 4.01Å; L335-F337 HydrophobicContact CD2-CE2 4.4Å; L335-F337 HydrophobicContact CD2-CZ 3.83Å; L335-F337 HydrophobicContact CG-CE2 4.49Å; L335-F337 HydrophobicContact CG-CZ 4.36Å; L335-F337 PolarHBondContact O-N 3.29Å; F337-K349 WeakPolarHBondContact O-CD 3.48Å; F337-I362 HydrophobicContact CE1-CG2 4.16Å; F337-M364 HydrophobicContact CB-CE 4.1Å; F337-M364 HydrophobicContact CD1-CB 3.51Å; F337-M364 HydrophobicContact CD2-CE 4.19Å; F337-M364 HydrophobicContact CE1-CB 3.77Å; F337-M364 HydrophobicContact CG-CB 4.06Å; F337-M364 HydrophobicContact CG-CE 4.08Å; F337-V383 HydrophobicContact CE1-CG1 3.99Å; F337-V383 HydrophobicContact CZ-CG1 4.25Å
338	E	95.5	Very high	96.4	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	8%	0.077	C	C	.	.			trans	-81.2	148.2	-175.7	-67.5	-62.9	173.9	0	0	113.1	S290 R292 S340 Y345 T347 K349 M364	S290-E338 WeakPolarHBondContact CB-O 3.46Å; S290-E338 PolarHBondContact OG-O 2.94Å; S290-E338 VanDerWaalsContact OG-O 3.04Å; R292-E338 WeakPolarHBondContact CD-O 3.46Å; E338-S340 PolarHBondContact O-N 3.13Å; E338-Y345 HydrophobicContact CB-CD1 4.23Å; E338-Y345 HydrophobicContact CB-CE1 4.45Å; E338-Y345 HydrophobicContact CG-CD1 4.41Å; E338-T347 WeakPolarHBondContact OE1-CB 3.42Å; E338-T347 PolarHBondContact OE1-N 3.22Å; E338-T347 PolarHBondContact OE1-OG1 2.63Å; E338-T347 WeakPolarHBondContact OE2-CG2 3.37Å; E338-T347 PolarHBondContact OE2-OG1 2.82Å; E338-K349 IonicContact OE2-NZ 3.16Å; E338-M364 PolarHBondContact N-O 3.2Å
339	N	92.8	Very high	96.5	Very high	28 Å²	28	13.2 Å²	13.2	15%	0.15	7%	0.067	C	C	.	.	S	Bend	trans	-62.4	-26.3	178.1	-74.1	-31.1	0	0	0	112.2	S290	S290-N339 WeakPolarHBondContact CB-O 3.23Å
340	S	92.7	Very high	96.5	Very high	3 Å²	3	9.7 Å²	9.7	2%	0.021	5%	0.048	C	C	.	.	S	Bend	trans	-142.4	137.7	-179.6	-51.8	0	0	0	0	110.1	S218 R220 E338 C342	S218-S340 VanDerWaalsContact OG-CB 3.3Å; S218-S340 WeakPolarHBondContact OG-CB 3.33Å; S218-S340 PolarHBondContact OG-OG 2.96Å; R220-S340 WeakPolarHBondContact CB-OG 3.34Å; E338-S340 PolarHBondContact O-N 3.13Å; S340-C342 WeakPolarHBondContact CB-SG 3.05Å; S340-C342 PolarHBondContact O-N 2.94Å
341	I	93.3	Very high	96.5	Very high	15 Å²	15	7.7 Å²	7.7	8%	0.077	4%	0.037	C	C	.	.			trans	-83.2	92.7	172.3	-52.2	-51.5	0	0	0	106	M364 G365 R458 F460	I341-M364 HydrophobicContact CD1-CE 4.27Å; I341-M364 HydrophobicContact CD1-CG 4.2Å; I341-G365 WeakPolarHBondContact CG2-O 3.2Å; I341-R458 HydrophobicContact CB-CB 4.35Å; I341-R458 HydrophobicContact CG2-CB 3.54Å; I341-R458 HydrophobicContact CG2-CG 4.29Å; I341-R458 WeakPolarHBondContact O-CG 3.49Å; I341-F460 HydrophobicContact CB-CE1 4.3Å; I341-F460 HydrophobicContact CG1-CD1 4Å; I341-F460 HydrophobicContact CG1-CE1 3.93Å
342	C	94.2	Very high	96.4	Very high	0 Å²	0	9.5 Å²	9.5	0%	0	5%	0.047	C	C	.	.			trans	-134.7	148.2	-179.1	-55.3	0	0	0	0	109.4	S340 Y345 G366 S454 C455	S340-C342 WeakPolarHBondContact CB-SG 3.05Å; S340-C342 PolarHBondContact O-N 2.94Å; C342-Y345 PolarHBondContact O-N 3.37Å; C342-G366 WeakPolarHBondContact O-CA 3.4Å; C342-S454 CarbonylContact C-O 3.58Å; C342-S454 VanDerWaalsContact CA-O 3.31Å; C342-S454 WeakPolarHBondContact CA-O 3.47Å; C342-C455 HydrophobicContact CB-CB 4.04Å; C342-C455 WeakPolarHBondContact CB-SG 3.27Å; C342-C455 WeakPolarHBondContact SG-CB 3.22Å; C342-C455 CovalentContact SG-SG 2.03Å; C342-C455 PolarHBondContact SG-SG 3.02Å
343	Q	94.4	Very high	96.3	Very high	3 Å²	3	9.7 Å²	9.7	1%	0.014	5%	0.048	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.4	139.9	173.7	-171.4	-172.2	-4.2	0	0	110.6	Y126 Y237 Y345 D370 S454	Y126-Q343 VanDerWaalsContact CE1-NE2 3.3Å; Y126-Q343 PolarHBondContact OH-NE2 3.23Å; Y237-Q343 WeakPolarHBondContact CE2-O 3.45Å; Q343-Y345 PolarHBondContact O-N 2.83Å; Q343-D370 WeakPolarHBondContact CA-OD2 3.02Å; Q343-S454 PolarHBondContact N-O 3.44Å
344	D	95	Very high	96.2	Very high	8 Å²	8	9.7 Å²	9.7	4%	0.043	5%	0.048	C	C	.	.	T	Hydrogen-bonded Turn	trans	62.9	-6	179	-54.7	-40.4	0	0	0	116.3	Y237 A238 V239 I346 D370 R373	Y237-D344 HydrophobicContact CD2-CB 4Å; Y237-D344 HydrophobicContact CE2-CB 4.33Å; A238-D344 WeakPolarHBondContact CA-OD2 3.41Å; V239-D344 PolarHBondContact N-OD2 2.87Å; D344-I346 PolarHBondContact O-N 2.89Å; D344-D370 PolarHBondContact N-OD2 3.42Å; D344-R373 IonicContact OD1-CZ 2.95Å; D344-R373 IonicContact OD1-NH2 3.15Å; D344-R373 PolarHBondContact OD1-NH2 3.35Å
345	Y	96.5	Very high	96.2	Very high	1 Å²	1	9.7 Å²	9.7	0%	0.004	5%	0.048	C	C	.	.			trans	-79.8	95.4	-173	-170.1	-115	0	0	0	111.5	I216 E217 Y237 Y247 E338 C342 Q343 T347	I216-Y345 WeakPolarHBondContact O-CE2 3.42Å; E217-Y345 PolarHBondContact OE2-OH 2.99Å; Y237-Y345 AromaticContact CD1-CD2 3.68Å; Y237-Y345 HydrophobicContact CD1-CD2 3.68Å; Y237-Y345 HydrophobicContact CD1-CE2 4.11Å; Y237-Y345 HydrophobicContact CD2-CD2 4.03Å; Y237-Y345 AromaticContact CE1-CD2 3.52Å; Y237-Y345 HydrophobicContact CE1-CD2 3.52Å; Y237-Y345 HydrophobicContact CE1-CE2 4.02Å; Y237-Y345 HydrophobicContact CE1-CG 4.5Å; Y237-Y345 AromaticContact CE2-CD2 3.91Å; Y237-Y345 HydrophobicContact CE2-CD2 3.91Å; Y237-Y345 HydrophobicContact CE2-CG 4.31Å; Y237-Y345 AromaticContact CG-CD2 3.93Å; Y237-Y345 HydrophobicContact CG-CD2 3.93Å; Y237-Y345 AromaticContact CZ-CD2 3.64Å; Y247-Y345 HydrophobicContact CE2-CE2 4.2Å; E338-Y345 HydrophobicContact CB-CD1 4.23Å; E338-Y345 HydrophobicContact CB-CE1 4.45Å; E338-Y345 HydrophobicContact CG-CD1 4.41Å; C342-Y345 PolarHBondContact O-N 3.37Å; Q343-Y345 PolarHBondContact O-N 2.83Å; Y345-T347 HydrophobicContact CD1-CG2 4.18Å; Y345-T347 HydrophobicContact CD2-CG2 4.29Å; Y345-T347 HydrophobicContact CE1-CG2 3.6Å; Y345-T347 HydrophobicContact CE2-CG2 3.72Å
346	I	97.4	Very high	96	Very high	6 Å²	6	13.5 Å²	13.5	3%	0.031	7%	0.065	C	C	.	.			trans	-132.2	121.6	-180	-53.6	172.3	0	0	0	108.6	D344 F350 F351 Y371	D344-I346 PolarHBondContact O-N 2.89Å; I346-F350 HydrophobicContact CG2-CB 3.56Å; I346-F350 HydrophobicContact CG2-CD1 3.57Å; I346-F350 HydrophobicContact CG2-CE1 4.44Å; I346-F350 HydrophobicContact CG2-CG 3.63Å; I346-F351 HydrophobicContact CB-CE2 4.09Å; I346-F351 HydrophobicContact CG2-CD2 4.1Å; I346-F351 HydrophobicContact CG2-CE2 3.45Å; I346-F351 VanDerWaalsContact CG2-CE2 3.45Å; I346-F351 HydrophobicContact CG2-CZ 4.05Å; I346-Y371 HydrophobicContact CB-CE1 4.45Å; I346-Y371 HydrophobicContact CD1-CD1 3.64Å; I346-Y371 HydrophobicContact CD1-CE1 3.92Å; I346-Y371 HydrophobicContact CD1-CG 3.98Å; I346-Y371 HydrophobicContact CG1-CD1 4.08Å; I346-Y371 HydrophobicContact CG1-CE1 3.8Å; I346-Y371 HydrophobicContact CG2-CD1 4.3Å; I346-Y371 HydrophobicContact CG2-CE1 3.89Å
347	T	97.2	Very high	95.9	Very high	0 Å²	0	14.2 Å²	14.2	0%	0	7%	0.069	C	C	.	.			trans	-114.4	-171.3	-163	70.7	0	0	0	0	113.6	Y247 E338 Y345 K349 F350 F351	Y247-T347 HydrophobicContact CD2-CG2 4.04Å; Y247-T347 HydrophobicContact CE2-CG2 3.75Å; E338-T347 WeakPolarHBondContact OE1-CB 3.42Å; E338-T347 PolarHBondContact OE1-N 3.22Å; E338-T347 PolarHBondContact OE1-OG1 2.63Å; E338-T347 WeakPolarHBondContact OE2-CG2 3.37Å; E338-T347 PolarHBondContact OE2-OG1 2.82Å; Y345-T347 HydrophobicContact CD1-CG2 4.18Å; Y345-T347 HydrophobicContact CD2-CG2 4.29Å; Y345-T347 HydrophobicContact CE1-CG2 3.6Å; Y345-T347 HydrophobicContact CE2-CG2 3.72Å; T347-K349 PolarHBondContact O-N 2.93Å; T347-K349 VanDerWaalsContact O-N 3.11Å; T347-K349 PolarHBondContact OG1-N 2.76Å; T347-K349 PolarHBondContact OG1-NZ 3.49Å; T347-K349 VanDerWaalsContact OG1-NZ 3.08Å; T347-F350 PolarHBondContact O-N 2.78Å; T347-F350 VanDerWaalsContact O-N 3.11Å; T347-F351 WeakPolarHBondContact O-CD2 3.43Å; T347-F351 PolarHBondContact O-N 3.17Å
348	E	96.2	Very high	95.8	Very high	55 Å²	55	15.2 Å²	15.2	26%	0.257	7%	0.074	S	C	.	.	H	α-helix	trans	-55.4	-25.5	174	79.4	-65.6	156.1	0	0	113.1	Y248 F350 F351 L352 N353	Y248-E348 HydrophobicContact CE2-CB 4.16Å; E348-F350 VanDerWaalsContact C-N 3.27Å; E348-F350 PolarHBondContact O-N 3.12Å; E348-F351 PolarHBondContact O-N 2.85Å; E348-L352 HydrophobicContact CB-CB 4.03Å; E348-L352 HydrophobicContact CB-CD2 4.41Å; E348-L352 CarbonylContact O-C 3.6Å; E348-L352 WeakPolarHBondContact O-CA 3.24Å; E348-L352 VanDerWaalsContact O-CB 3.26Å; E348-L352 WeakPolarHBondContact O-CB 3.33Å; E348-L352 PolarHBondContact O-N 2.77Å; E348-N353 PolarHBondContact O-N 3.22Å
349	K	96.5	Very high	95.9	Very high	22 Å²	22	15.2 Å²	15.2	10%	0.096	7%	0.074	C	C	.	.	I	π-helix	trans	-59	-42.2	177	-67.1	166.9	-153.4	62	0	111.5	Y334 S336 F337 E338 T347 N353 A354	Y334-K349 HydrophobicContact CE1-CB 4.32Å; Y334-K349 WeakPolarHBondContact CE1-O 3.42Å; S336-K349 PolarHBondContact OG-O 2.68Å; F337-K349 WeakPolarHBondContact O-CD 3.48Å; E338-K349 IonicContact OE2-NZ 3.16Å; T347-K349 PolarHBondContact O-N 2.93Å; T347-K349 VanDerWaalsContact O-N 3.11Å; T347-K349 PolarHBondContact OG1-N 2.76Å; T347-K349 PolarHBondContact OG1-NZ 3.49Å; T347-K349 VanDerWaalsContact OG1-NZ 3.08Å; K349-N353 WeakPolarHBondContact O-CB 3.29Å; K349-A354 PolarHBondContact O-N 3.48Å
350	F	98.4	Very high	96.2	Very high	0 Å²	0	14 Å²	14	0%	0	7%	0.067	C	C	.	.	I	π-helix	trans	-75.6	-51.6	179	-179.9	-104	0	0	0	111.6	I346 T347 E348 A354 L355 P361 V363 Y371 A375 F380	I346-F350 HydrophobicContact CG2-CB 3.56Å; I346-F350 HydrophobicContact CG2-CD1 3.57Å; I346-F350 HydrophobicContact CG2-CE1 4.44Å; I346-F350 HydrophobicContact CG2-CG 3.63Å; T347-F350 PolarHBondContact O-N 2.78Å; T347-F350 VanDerWaalsContact O-N 3.11Å; E348-F350 VanDerWaalsContact C-N 3.27Å; E348-F350 PolarHBondContact O-N 3.12Å; F350-A354 WeakPolarHBondContact O-CB 3.31Å; F350-L355 HydrophobicContact CD1-CD1 4.1Å; F350-L355 HydrophobicContact CE1-CD1 3.44Å; F350-L355 VanDerWaalsContact CE1-CD1 3.44Å; F350-L355 HydrophobicContact CE1-CG 4.27Å; F350-L355 HydrophobicContact CZ-CD1 3.76Å; F350-L355 HydrophobicContact CZ-CG 4.33Å; F350-L355 PolarHBondContact O-N 2.83Å; F350-P361 HydrophobicContact CD2-CB 3.72Å; F350-P361 HydrophobicContact CD2-CG 3.81Å; F350-P361 HydrophobicContact CE2-CB 3.84Å; F350-P361 HydrophobicContact CE2-CG 3.43Å; F350-P361 VanDerWaalsContact CE2-CG 3.43Å; F350-P361 HydrophobicContact CZ-CG 4.22Å; F350-V363 HydrophobicContact CD2-CG1 3.42Å; F350-V363 VanDerWaalsContact CD2-CG1 3.42Å; F350-V363 HydrophobicContact CE2-CG1 3.61Å; F350-Y371 HydrophobicContact CD2-CD1 4.23Å; F350-Y371 HydrophobicContact CD2-CE1 4.08Å; F350-Y371 HydrophobicContact CE2-CD1 4.07Å; F350-Y371 HydrophobicContact CE2-CE1 4.37Å; F350-Y371 HydrophobicContact CG-CE1 4.44Å; F350-Y371 HydrophobicContact CZ-CD1 4.42Å; F350-A375 HydrophobicContact CE1-CB 3.61Å; F350-A375 HydrophobicContact CZ-CB 3.45Å; F350-A375 VanDerWaalsContact CZ-CB 3.45Å; F350-F380 HydrophobicContact CE2-CB 3.65Å; F350-F380 HydrophobicContact CE2-CD1 4.42Å; F350-F380 HydrophobicContact CE2-CG 4.17Å; F350-F380 HydrophobicContact CZ-CB 4.14Å; F350-F380 HydrophobicContact CZ-CD1 4.21Å; F350-F380 HydrophobicContact CZ-CG 4.41Å
351	F	97.7	Very high	96.5	Very high	4 Å²	4	13.8 Å²	13.8	2%	0.018	7%	0.066	C	C	.	.	I	π-helix	trans	-84.4	-54.8	-170.7	-64.9	-79.3	0	0	0	113	Y248 I346 T347 E348 L355 K356 V418	Y248-F351 HydrophobicContact CD1-CB 4.2Å; Y248-F351 HydrophobicContact CD2-CB 3.37Å; Y248-F351 HydrophobicContact CD2-CD2 4.02Å; Y248-F351 AromaticContact CD2-CG 3.95Å; Y248-F351 HydrophobicContact CD2-CG 3.95Å; Y248-F351 HydrophobicContact CE2-CB 4.12Å; Y248-F351 HydrophobicContact CG-CB 3.44Å; Y248-F351 VanDerWaalsContact CG-CB 3.44Å; Y248-F351 HydrophobicContact CG-CD2 4.21Å; Y248-F351 AromaticContact CG-CG 3.86Å; Y248-F351 HydrophobicContact CG-CG 3.86Å; I346-F351 HydrophobicContact CB-CE2 4.09Å; I346-F351 HydrophobicContact CG2-CD2 4.1Å; I346-F351 HydrophobicContact CG2-CE2 3.45Å; I346-F351 VanDerWaalsContact CG2-CE2 3.45Å; I346-F351 HydrophobicContact CG2-CZ 4.05Å; T347-F351 WeakPolarHBondContact O-CD2 3.43Å; T347-F351 PolarHBondContact O-N 3.17Å; E348-F351 PolarHBondContact O-N 2.85Å; F351-L355 HydrophobicContact CD1-CD1 4.18Å; F351-L355 PolarHBondContact O-N 2.86Å; F351-K356 WeakPolarHBondContact O-CB 3.22Å; F351-K356 WeakPolarHBondContact O-CG 3.48Å; F351-K356 PolarHBondContact O-N 3.37Å; F351-V418 HydrophobicContact CD1-CB 4.44Å; F351-V418 HydrophobicContact CD1-CG1 4.11Å
352	L	95.8	Very high	96.7	Very high	39 Å²	39	13.1 Å²	13.1	20%	0.204	6%	0.063	C	C	.	.	I	π-helix	trans	-74.7	-53.8	-176.2	-179.3	61	0	0	0	111.2	Y248 F324 E348 K356 N357	Y248-L352 HydrophobicContact CE2-CB 3.97Å; F324-L352 HydrophobicContact CE1-CD2 4.42Å; F324-L352 HydrophobicContact CE1-CG 4.12Å; F324-L352 HydrophobicContact CZ-CD1 4.45Å; F324-L352 HydrophobicContact CZ-CD2 3.85Å; F324-L352 HydrophobicContact CZ-CG 3.96Å; E348-L352 HydrophobicContact CB-CB 4.03Å; E348-L352 HydrophobicContact CB-CD2 4.41Å; E348-L352 CarbonylContact O-C 3.6Å; E348-L352 WeakPolarHBondContact O-CA 3.24Å; E348-L352 VanDerWaalsContact O-CB 3.26Å; E348-L352 WeakPolarHBondContact O-CB 3.33Å; E348-L352 PolarHBondContact O-N 2.77Å; L352-K356 HydrophobicContact CD1-CD 4.09Å; L352-N357 PolarHBondContact O-ND2 3.33Å
353	N	96	Very high	96.9	Very high	17 Å²	17	13.1 Å²	13.1	9%	0.091	6%	0.063	C	C	.	.	I	π-helix	trans	-72.6	-34.5	-172.4	-61.4	7.7	0	0	0	111.8	L327 Y334 E348 K349	L327-N353 HydrophobicContact CD1-CB 4.21Å; L327-N353 WeakPolarHBondContact CD1-O 3.47Å; Y334-N353 HydrophobicContact CD1-CB 4.03Å; Y334-N353 HydrophobicContact CE1-CB 3.52Å; Y334-N353 HydrophobicContact CE2-CB 4.17Å; Y334-N353 PolarHBondContact OH-ND2 3.36Å; E348-N353 PolarHBondContact O-N 3.22Å; K349-N353 WeakPolarHBondContact O-CB 3.29Å
354	A	97.8	Very high	97	Very high	0 Å²	0	13 Å²	13	0%	0	6%	0.063	C	C	.	.	I	π-helix	trans	-101.3	-73.3	-178.8	0	0	0	0	0	113.7	Y334 K349 F350 K356 N357 N358 V359 P361	Y334-A354 HydrophobicContact CD1-CB 4.04Å; Y334-A354 HydrophobicContact CG-CB 4.42Å; K349-A354 PolarHBondContact O-N 3.48Å; F350-A354 WeakPolarHBondContact O-CB 3.31Å; A354-K356 PolarHBondContact O-N 2.99Å; A354-N357 CarbonylContact O-C 3.56Å; A354-N357 WeakPolarHBondContact O-CA 3.17Å; A354-N357 PolarHBondContact O-N 3.25Å; A354-N358 PolarHBondContact O-N 3Å; A354-V359 CarbonylContact C-O 3.41Å; A354-V359 PolarHBondContact O-N 2.58Å; A354-V359 VanDerWaalsContact O-N 3.11Å; A354-P361 HydrophobicContact CB-CB 3.6Å; A354-P361 HydrophobicContact CB-CG 4.1Å
355	L	97.4	Very high	97	Very high	1 Å²	1	12.9 Å²	12.9	1%	0.005	6%	0.063	C	C	.	.	G	3₁₀ helix	trans	-59.5	-49	-169.1	-67.2	-176.1	0	0	0	113.1	F350 F351 N357 N358 P361 P376 W412 V418	F350-L355 HydrophobicContact CD1-CD1 4.1Å; F350-L355 HydrophobicContact CE1-CD1 3.44Å; F350-L355 VanDerWaalsContact CE1-CD1 3.44Å; F350-L355 HydrophobicContact CE1-CG 4.27Å; F350-L355 HydrophobicContact CZ-CD1 3.76Å; F350-L355 HydrophobicContact CZ-CG 4.33Å; F350-L355 PolarHBondContact O-N 2.83Å; F351-L355 HydrophobicContact CD1-CD1 4.18Å; F351-L355 PolarHBondContact O-N 2.86Å; L355-N357 PolarHBondContact O-N 3.49Å; L355-N357 VanDerWaalsContact O-N 3.16Å; L355-N358 PolarHBondContact O-N 2.78Å; L355-N358 VanDerWaalsContact O-N 3.1Å; L355-P361 HydrophobicContact CD2-CG 3.92Å; L355-P361 HydrophobicContact CG-CG 4.36Å; L355-P376 HydrophobicContact CD1-CG 4.18Å; L355-W412 HydrophobicContact CB-CH2 4.39Å; L355-W412 HydrophobicContact CB-CZ2 4.08Å; L355-W412 HydrophobicContact CD2-CZ2 4.04Å; L355-W412 HydrophobicContact CG-CZ2 4.5Å; L355-V418 HydrophobicContact CD1-CG1 4.17Å
356	K	95.4	Very high	96.8	Very high	80 Å²	80	13 Å²	13	35%	0.348	6%	0.064	S	C	.	.	G	3₁₀ helix	trans	-62.6	-21.7	177.9	-76	-170.7	59.6	154.2	0	113.6	Y248 F351 L352 A354 V418 D419	Y248-K356 HydrophobicContact CD1-CD 4.47Å; Y248-K356 HydrophobicContact CE1-CD 3.96Å; F351-K356 WeakPolarHBondContact O-CB 3.22Å; F351-K356 WeakPolarHBondContact O-CG 3.48Å; F351-K356 PolarHBondContact O-N 3.37Å; L352-K356 HydrophobicContact CD1-CD 4.09Å; A354-K356 PolarHBondContact O-N 2.99Å; K356-V418 HydrophobicContact CD-CG2 4.33Å; K356-V418 HydrophobicContact CG-CG2 3.51Å; K356-D419 WeakPolarHBondContact CD-OD1 3.4Å; K356-D419 WeakPolarHBondContact CE-OD1 3.48Å; K356-D419 IonicContact NZ-OD1 2.68Å; K356-D419 PolarHBondContact NZ-OD1 3.37Å
357	N	95.6	Very high	96.5	Very high	15 Å²	15	14 Å²	14	8%	0.08	7%	0.071	C	C	.	.	G	3₁₀ helix	trans	-102.4	14.3	179.3	-75.3	-61.2	0	0	0	113.2	F324 L327 K328 L352 A354 L355 V359	F324-N357 WeakPolarHBondContact CB-OD1 3.27Å; F324-N357 VanDerWaalsContact CD1-ND2 3.29Å; F324-N357 WeakPolarHBondContact CD1-ND2 3.36Å; F324-N357 PolarHBondContact O-OD1 2.91Å; L327-N357 HydrophobicContact CB-CB 4.44Å; K328-N357 WeakPolarHBondContact CA-O 3.31Å; K328-N357 HydrophobicContact CB-CB 4.25Å; K328-N357 WeakPolarHBondContact CB-O 3.39Å; K328-N357 WeakPolarHBondContact CG-O 3.26Å; L352-N357 PolarHBondContact O-ND2 3.33Å; A354-N357 CarbonylContact O-C 3.56Å; A354-N357 WeakPolarHBondContact O-CA 3.17Å; A354-N357 PolarHBondContact O-N 3.25Å; L355-N357 PolarHBondContact O-N 3.49Å; L355-N357 VanDerWaalsContact O-N 3.16Å; N357-V359 VanDerWaalsContact C-N 3.3Å; N357-V359 HydrophobicContact CB-CG2 4.42Å; N357-V359 WeakPolarHBondContact O-CG2 3.23Å; N357-V359 PolarHBondContact O-N 2.9Å
358	N	95.5	Very high	96.3	Very high	23 Å²	23	16.7 Å²	16.7	12%	0.123	8%	0.083	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.8	46	178.8	-46.3	-60	0	0	0	112.8	F271 K275 A354 L355 F410 H413	F271-N358 HydrophobicContact CD1-CB 3.71Å; F271-N358 HydrophobicContact CE1-CB 4.01Å; F271-N358 WeakPolarHBondContact CE1-OD1 3.34Å; K275-N358 WeakPolarHBondContact CE-O 3.39Å; K275-N358 PolarHBondContact NZ-O 2.91Å; A354-N358 PolarHBondContact O-N 3Å; L355-N358 PolarHBondContact O-N 2.78Å; L355-N358 VanDerWaalsContact O-N 3.1Å; N358-F410 VanDerWaalsContact C-CE1 3.44Å; N358-F410 HydrophobicContact CB-CE1 4.24Å; N358-H413 PolarHBondContact OD1-CE1 2.82Å; N358-H413 PolarHBondContact OD1-NE2 2.04Å
359	V	98.1	Very high	96.1	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	8%	0.08	C	C	.	.			trans	-122.8	138.8	174.5	-172.3	0	0	0	0	108.1	L327 K332 A354 N357 P361	L327-V359 HydrophobicContact CB-CG2 4.16Å; L327-V359 WeakPolarHBondContact O-CG2 3.35Å; K332-V359 WeakPolarHBondContact O-CG1 3.48Å; A354-V359 CarbonylContact C-O 3.41Å; A354-V359 PolarHBondContact O-N 2.58Å; A354-V359 VanDerWaalsContact O-N 3.11Å; N357-V359 VanDerWaalsContact C-N 3.3Å; N357-V359 HydrophobicContact CB-CG2 4.42Å; N357-V359 WeakPolarHBondContact O-CG2 3.23Å; N357-V359 PolarHBondContact O-N 2.9Å; V359-P361 WeakPolarHBondContact O-CD 3.42Å
360	V	98.7	Very high	96	Very high	1 Å²	1	14.4 Å²	14.4	1%	0.006	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	116.5	179.6	-178.1	0	0	0	0	109.5	K332 F333 Y334 I381 Y406 Y409 F410	K332-V360 PolarHBondContact O-N 3.47Å; F333-V360 VanDerWaalsContact CA-O 3.29Å; F333-V360 WeakPolarHBondContact CA-O 3.45Å; F333-V360 HydrophobicContact CD1-CB 3.8Å; F333-V360 HydrophobicContact CD1-CG1 4.22Å; F333-V360 HydrophobicContact CE1-CB 4.15Å; F333-V360 HydrophobicContact CE1-CG1 4.46Å; F333-V360 HydrophobicContact CE1-CG2 4.48Å; Y334-V360 PolarHBondContact N-O 3.17Å; V360-I381 HydrophobicContact CG1-CD1 3.81Å; V360-I381 HydrophobicContact CG1-CG1 3.94Å; V360-Y406 HydrophobicContact CG2-CD2 4.32Å; V360-Y406 HydrophobicContact CG2-CE2 3.74Å; V360-Y409 HydrophobicContact CG1-CD1 3.81Å; V360-Y409 HydrophobicContact CG1-CE1 4.25Å; V360-Y409 HydrophobicContact CG1-CG 3.98Å; V360-Y409 HydrophobicContact CG2-CG 4.08Å; V360-F410 HydrophobicContact CG2-CE1 4.4Å; V360-F410 HydrophobicContact CG2-CE2 3.52Å; V360-F410 HydrophobicContact CG2-CZ 3.41Å; V360-F410 VanDerWaalsContact CG2-CZ 3.41Å
361	P	98.8	Very high	95.9	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	129.9	176	25.8	-31.5	0	0	0	111.5	Y334 S336 F350 A354 L355 V359 V363 S379 F380 I381	Y334-P361 WeakPolarHBondContact O-CA 3.23Å; S336-P361 VanDerWaalsContact OG-CB 3.26Å; S336-P361 WeakPolarHBondContact OG-CB 3.23Å; F350-P361 HydrophobicContact CD2-CB 3.72Å; F350-P361 HydrophobicContact CD2-CG 3.81Å; F350-P361 HydrophobicContact CE2-CB 3.84Å; F350-P361 HydrophobicContact CE2-CG 3.43Å; F350-P361 VanDerWaalsContact CE2-CG 3.43Å; F350-P361 HydrophobicContact CZ-CG 4.22Å; A354-P361 HydrophobicContact CB-CB 3.6Å; A354-P361 HydrophobicContact CB-CG 4.1Å; L355-P361 HydrophobicContact CD2-CG 3.92Å; L355-P361 HydrophobicContact CG-CG 4.36Å; V359-P361 WeakPolarHBondContact O-CD 3.42Å; P361-V363 HydrophobicContact CB-CG1 4Å; P361-S379 VanDerWaalsContact CD-O 3.23Å; P361-S379 WeakPolarHBondContact CD-O 3.15Å; P361-S379 WeakPolarHBondContact CG-O 3.27Å; P361-F380 HydrophobicContact CG-CB 3.73Å; P361-I381 PolarHBondContact O-N 3.47Å
362	I	98.8	Very high	95.7	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	115.5	162.9	-56.8	163.4	0	0	0	106.7	I279 F333 Y334 L335 S336 F337 I381 V383 L392 L396	I279-I362 HydrophobicContact CD1-CD1 4.36Å; I279-I362 HydrophobicContact CG1-CD1 4.29Å; F333-I362 HydrophobicContact CB-CD1 3.71Å; F333-I362 HydrophobicContact CB-CG1 4.24Å; F333-I362 HydrophobicContact CG-CD1 4.22Å; Y334-I362 PolarHBondContact O-N 2.79Å; L335-I362 HydrophobicContact CD2-CB 3.93Å; L335-I362 HydrophobicContact CD2-CD1 3.83Å; L335-I362 HydrophobicContact CD2-CG1 4.49Å; L335-I362 HydrophobicContact CD2-CG2 4.14Å; S336-I362 PolarHBondContact N-O 3.12Å; F337-I362 HydrophobicContact CE1-CG2 4.16Å; I362-I381 CarbonylContact C-O 3.55Å; I362-I381 WeakPolarHBondContact CA-O 3.07Å; I362-I381 HydrophobicContact CG1-CB 4.38Å; I362-I381 HydrophobicContact CG1-CD1 4.48Å; I362-V383 HydrophobicContact CG2-CG1 4.02Å; I362-L392 HydrophobicContact CG2-CD1 4.43Å; I362-L392 HydrophobicContact CG2-CD2 4.12Å; I362-L396 HydrophobicContact CD1-CD1 3.52Å; I362-L396 HydrophobicContact CD1-CD2 3.77Å; I362-L396 HydrophobicContact CD1-CG 4.3Å; I362-L396 HydrophobicContact CG1-CD2 4.16Å
363	V	98.3	Very high	95.6	Very high	0 Å²	0	17 Å²	17	0%	0	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	141.5	-167.1	-56.8	0	0	0	0	112.2	F350 P361 Y371 F380 I381 H382 V383	F350-V363 HydrophobicContact CD2-CG1 3.42Å; F350-V363 VanDerWaalsContact CD2-CG1 3.42Å; F350-V363 HydrophobicContact CE2-CG1 3.61Å; P361-V363 HydrophobicContact CB-CG1 4Å; V363-Y371 HydrophobicContact CB-CD1 4.19Å; V363-Y371 HydrophobicContact CB-CE1 3.62Å; V363-Y371 HydrophobicContact CB-CE2 4.13Å; V363-Y371 HydrophobicContact CG1-CD1 4.05Å; V363-Y371 HydrophobicContact CG1-CE1 3.63Å; V363-Y371 HydrophobicContact CG2-CD1 4.04Å; V363-Y371 HydrophobicContact CG2-CD2 4.03Å; V363-Y371 HydrophobicContact CG2-CE1 3.92Å; V363-Y371 HydrophobicContact CG2-CE2 3.9Å; V363-Y371 HydrophobicContact CG2-CG 4.11Å; V363-F380 HydrophobicContact CG1-CB 4.28Å; V363-F380 HydrophobicContact CG2-CD2 3.7Å; V363-F380 HydrophobicContact CG2-CE2 4.28Å; V363-I381 PolarHBondContact N-O 3.01Å; V363-H382 HydrophobicContact CG2-CB 4.07Å; V363-H382 VanDerWaalsContact CG2-CD2 3.45Å; V363-H382 WeakPolarHBondContact CG2-CD2 3.07Å; V363-V383 WeakPolarHBondContact O-CG1 3.26Å; V363-V383 WeakPolarHBondContact O-CG2 3.01Å; V363-V383 PolarHBondContact O-N 3.28Å; V363-V383 VanDerWaalsContact O-N 3.12Å
364	M	95.9	Very high	95.5	Very high	2 Å²	2	17.7 Å²	17.7	1%	0.01	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	110.2	170.1	-176.2	-165.4	72.6	0	0	107.4	S290 P291 R292 Y295 F337 E338 I341 V383 P461	S290-M364 VanDerWaalsContact OG-CE 3.28Å; S290-M364 WeakPolarHBondContact OG-CE 3.23Å; P291-M364 HydrophobicContact CG-CE 4.41Å; P291-M364 HydrophobicContact CG-SD 4.11Å; R292-M364 HydrophobicContact CB-CE 3.37Å; R292-M364 HydrophobicContact CG-CE 4.45Å; Y295-M364 HydrophobicContact CD2-SD 4.48Å; Y295-M364 HydrophobicContact CG-SD 4.42Å; F337-M364 HydrophobicContact CB-CE 4.1Å; F337-M364 HydrophobicContact CD1-CB 3.51Å; F337-M364 HydrophobicContact CD2-CE 4.19Å; F337-M364 HydrophobicContact CE1-CB 3.77Å; F337-M364 HydrophobicContact CG-CB 4.06Å; F337-M364 HydrophobicContact CG-CE 4.08Å; E338-M364 PolarHBondContact N-O 3.2Å; I341-M364 HydrophobicContact CD1-CE 4.27Å; I341-M364 HydrophobicContact CD1-CG 4.2Å; M364-V383 HydrophobicContact CB-CG1 4.25Å; M364-V383 HydrophobicContact CB-CG2 3.74Å; M364-V383 HydrophobicContact CG-CG2 3.73Å; M364-P461 HydrophobicContact CG-CG 3.94Å; M364-P461 HydrophobicContact SD-CG 3.59Å; M364-P461 VanDerWaalsContact SD-CG 3.59Å
365	G	94.2	Very high	95.4	Very high	5 Å²	5	18 Å²	18	5%	0.052	10%	0.095	C	C	.	.	S	Bend	trans	-177.2	-116.1	-169.3	0	0	0	0	0	111.7	I341 Y371	I341-G365 WeakPolarHBondContact CG2-O 3.2Å; G365-Y371 WeakPolarHBondContact CA-OH 3.46Å
366	G	92.1	Very high	95.4	Very high	2 Å²	2	18 Å²	18	2%	0.021	10%	0.095	C	C	.	.	S	Bend	trans	-59.1	176	170.1	0	0	0	0	0	113	C342 D370 Y371 H382	C342-G366 WeakPolarHBondContact O-CA 3.4Å; G366-D370 WeakPolarHBondContact CA-OD2 3.41Å; G366-Y371 WeakPolarHBondContact O-CE2 3.32Å; G366-H382 PolarHBondContact O-NE2 2.95Å; G366-H382 VanDerWaalsContact O-NE2 3.15Å
367	S	92.9	Very high	95.2	Very high	27 Å²	27	18.6 Å²	18.6	19%	0.189	11%	0.11	C	C	.	.			trans	-69.3	161.7	173.5	42.7	0	0	0	0	110.5	S369 D370 Y371 R458	S367-S369 PolarHBondContact O-N 3.43Å; S367-S369 VanDerWaalsContact O-N 3.13Å; S367-S369 PolarHBondContact OG-OG 2.64Å; S367-D370 PolarHBondContact N-OD2 3.02Å; S367-D370 WeakPolarHBondContact O-CA 3.49Å; S367-D370 VanDerWaalsContact O-CB 3.31Å; S367-D370 WeakPolarHBondContact O-CB 3.35Å; S367-D370 PolarHBondContact O-N 3.37Å; S367-D370 PolarHBondContact OG-OD2 2.95Å; S367-D370 VanDerWaalsContact OG-OD2 3.09Å; S367-Y371 WeakPolarHBondContact O-CD2 3.2Å; S367-Y371 PolarHBondContact O-N 2.9Å; S367-R458 VanDerWaalsContact CB-NH2 3.26Å; S367-R458 VanDerWaalsContact N-NH2 3.11Å; S367-R458 PolarHBondContact OG-NH2 2.81Å
368	K	92.6	Very high	95.2	Very high	57 Å²	57	19.8 Å²	19.8	25%	0.248	12%	0.116	C	C	.	.	H	α-helix	trans	-50.3	-40.7	173.7	-174.9	174.4	-175	169	0	112.3	D370 Y371 V372 H382 D385	K368-D370 VanDerWaalsContact C-N 3.27Å; K368-D370 PolarHBondContact O-N 3.27Å; K368-Y371 PolarHBondContact O-N 2.89Å; K368-V372 HydrophobicContact CG-CG2 4.18Å; K368-V372 WeakPolarHBondContact O-CG2 3.49Å; K368-V372 PolarHBondContact O-N 2.88Å; K368-H382 PolarHBondContact N-NE2 3.3Å; K368-D385 WeakPolarHBondContact CD-OD1 3.37Å; K368-D385 WeakPolarHBondContact CE-OD1 3.31Å; K368-D385 IonicContact NZ-OD1 3.49Å; K368-D385 PolarHBondContact NZ-OD1 3.34Å; K368-D385 IonicContact NZ-OD2 3.63Å; K368-D385 PolarHBondContact NZ-OD2 3.19Å
369	S	91.6	Very high	95.3	Very high	27 Å²	27	18.8 Å²	18.8	19%	0.189	11%	0.111	C	C	.	.	H	α-helix	trans	-58.7	-33.5	175.5	55	0	0	0	0	113.8	S367 R373	S367-S369 PolarHBondContact O-N 3.43Å; S367-S369 VanDerWaalsContact O-N 3.13Å; S367-S369 PolarHBondContact OG-OG 2.64Å; S369-R373 WeakPolarHBondContact O-CB 3.34Å; S369-R373 PolarHBondContact O-N 3.19Å; S369-R373 VanDerWaalsContact O-N 3.14Å; S369-R373 PolarHBondContact O-NH1 2.76Å
370	D	94	Very high	95.3	Very high	2 Å²	2	19.3 Å²	19.3	1%	0.011	11%	0.113	C	C	.	.	H	α-helix	trans	-68.1	-42.4	177	-60.8	-31.2	0	0	0	111.3	Q343 D344 G366 S367 K368 R373 S374 R458	Q343-D370 WeakPolarHBondContact CA-OD2 3.02Å; D344-D370 PolarHBondContact N-OD2 3.42Å; G366-D370 WeakPolarHBondContact CA-OD2 3.41Å; S367-D370 PolarHBondContact N-OD2 3.02Å; S367-D370 WeakPolarHBondContact O-CA 3.49Å; S367-D370 VanDerWaalsContact O-CB 3.31Å; S367-D370 WeakPolarHBondContact O-CB 3.35Å; S367-D370 PolarHBondContact O-N 3.37Å; S367-D370 PolarHBondContact OG-OD2 2.95Å; S367-D370 VanDerWaalsContact OG-OD2 3.09Å; K368-D370 VanDerWaalsContact C-N 3.27Å; K368-D370 PolarHBondContact O-N 3.27Å; D370-R373 IonicContact OD1-CZ 3.66Å; D370-R373 IonicContact OD1-NH1 3.95Å; D370-R373 IonicContact OD1-NH2 2.58Å; D370-R373 PolarHBondContact OD1-NH2 3.07Å; D370-S374 WeakPolarHBondContact O-CB 3.28Å; D370-S374 PolarHBondContact O-N 2.7Å; D370-S374 PolarHBondContact O-OG 3.37Å; D370-R458 IonicContact OD2-NH2 2.65Å; D370-R458 PolarHBondContact OD2-NH2 2.98Å
371	Y	95.9	Very high	95.3	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-68.5	-45.3	175	-71.2	-84.6	0	0	0	111.6	I346 F350 V363 G365 G366 S367 K368 R373 S374 A375 F380 H382	I346-Y371 HydrophobicContact CB-CE1 4.45Å; I346-Y371 HydrophobicContact CD1-CD1 3.64Å; I346-Y371 HydrophobicContact CD1-CE1 3.92Å; I346-Y371 HydrophobicContact CD1-CG 3.98Å; I346-Y371 HydrophobicContact CG1-CD1 4.08Å; I346-Y371 HydrophobicContact CG1-CE1 3.8Å; I346-Y371 HydrophobicContact CG2-CD1 4.3Å; I346-Y371 HydrophobicContact CG2-CE1 3.89Å; F350-Y371 HydrophobicContact CD2-CD1 4.23Å; F350-Y371 HydrophobicContact CD2-CE1 4.08Å; F350-Y371 HydrophobicContact CE2-CD1 4.07Å; F350-Y371 HydrophobicContact CE2-CE1 4.37Å; F350-Y371 HydrophobicContact CG-CE1 4.44Å; F350-Y371 HydrophobicContact CZ-CD1 4.42Å; V363-Y371 HydrophobicContact CB-CD1 4.19Å; V363-Y371 HydrophobicContact CB-CE1 3.62Å; V363-Y371 HydrophobicContact CB-CE2 4.13Å; V363-Y371 HydrophobicContact CG1-CD1 4.05Å; V363-Y371 HydrophobicContact CG1-CE1 3.63Å; V363-Y371 HydrophobicContact CG2-CD1 4.04Å; V363-Y371 HydrophobicContact CG2-CD2 4.03Å; V363-Y371 HydrophobicContact CG2-CE1 3.92Å; V363-Y371 HydrophobicContact CG2-CE2 3.9Å; V363-Y371 HydrophobicContact CG2-CG 4.11Å; G365-Y371 WeakPolarHBondContact CA-OH 3.46Å; G366-Y371 WeakPolarHBondContact O-CE2 3.32Å; S367-Y371 WeakPolarHBondContact O-CD2 3.2Å; S367-Y371 PolarHBondContact O-N 2.9Å; K368-Y371 PolarHBondContact O-N 2.89Å; Y371-R373 VanDerWaalsContact C-N 3.25Å; Y371-R373 PolarHBondContact O-N 3.02Å; Y371-S374 PolarHBondContact O-N 2.77Å; Y371-S374 VanDerWaalsContact O-N 3.12Å; Y371-A375 WeakPolarHBondContact O-CB 3.47Å; Y371-A375 PolarHBondContact O-N 2.86Å; Y371-F380 HydrophobicContact CG-CE2 4.21Å; Y371-F380 HydrophobicContact CG-CZ 4.39Å; Y371-H382 AromaticContact CD2-CD2 3.58Å; Y371-H382 AromaticContact CD2-NE2 3.7Å; Y371-H382 AromaticContact CE2-CD2 3.91Å; Y371-H382 AromaticContact CE2-NE2 3.73Å
372	V	94.4	Very high	95.3	Very high	32 Å²	32	19.4 Å²	19.4	19%	0.194	11%	0.114	C	C	.	.	H	α-helix	trans	-56.8	-39.2	178.6	169.5	0	0	0	0	111.9	N65 I67 K368 F380	N65-V372 HydrophobicContact CB-CG1 3.89Å; N65-V372 HydrophobicContact CB-CG2 3.78Å; I67-V372 HydrophobicContact CG1-CG1 4.39Å; K368-V372 HydrophobicContact CG-CG2 4.18Å; K368-V372 WeakPolarHBondContact O-CG2 3.49Å; K368-V372 PolarHBondContact O-N 2.88Å; V372-F380 HydrophobicContact CG2-CZ 4.03Å
373	R	92.6	Very high	95.2	Very high	65 Å²	65	19.5 Å²	19.5	25%	0.245	11%	0.114	C	C	.	.	H	α-helix	trans	-70.8	-35.1	178.6	179.6	173.8	57.3	-94.8	-0.9	113.2	Y126 D344 S369 D370 Y371	Y126-R373 WeakPolarHBondContact O-CD 3.48Å; D344-R373 IonicContact OD1-CZ 2.95Å; D344-R373 IonicContact OD1-NH2 3.15Å; D344-R373 PolarHBondContact OD1-NH2 3.35Å; S369-R373 WeakPolarHBondContact O-CB 3.34Å; S369-R373 PolarHBondContact O-N 3.19Å; S369-R373 VanDerWaalsContact O-N 3.14Å; S369-R373 PolarHBondContact O-NH1 2.76Å; D370-R373 IonicContact OD1-CZ 3.66Å; D370-R373 IonicContact OD1-NH1 3.95Å; D370-R373 IonicContact OD1-NH2 2.58Å; D370-R373 PolarHBondContact OD1-NH2 3.07Å; Y371-R373 VanDerWaalsContact C-N 3.25Å; Y371-R373 PolarHBondContact O-N 3.02Å
374	S	94.6	Very high	95	Very high	33 Å²	33	23 Å²	23	23%	0.231	13%	0.132	C	C	.	.	H	α-helix	trans	-101.2	-21.5	-168.2	-51.4	0	0	0	0	113.9	D370 Y371	D370-S374 WeakPolarHBondContact O-CB 3.28Å; D370-S374 PolarHBondContact O-N 2.7Å; D370-S374 PolarHBondContact O-OG 3.37Å; Y371-S374 PolarHBondContact O-N 2.77Å; Y371-S374 VanDerWaalsContact O-N 3.12Å
375	A	96.2	Very high	94.9	Very high	6 Å²	6	25.5 Å²	25.5	5%	0.05	15%	0.146	C	C	.	.	S	Bend	trans	-103.4	160.8	-175.3	0	0	0	0	0	112.2	F350 Y371 F380	F350-A375 HydrophobicContact CE1-CB 3.61Å; F350-A375 HydrophobicContact CZ-CB 3.45Å; F350-A375 VanDerWaalsContact CZ-CB 3.45Å; Y371-A375 WeakPolarHBondContact O-CB 3.47Å; Y371-A375 PolarHBondContact O-N 2.86Å; A375-F380 HydrophobicContact CB-CD1 3.91Å; A375-F380 HydrophobicContact CB-CE1 3.96Å
376	P	96.4	Very high	95	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	15%	0.148	C	C	.	.	P	Polyproline II helix	trans	-59.1	146	165.4	-5.6	13.3	0	0	0	111.8	Y250 L355 N378 S379 W412	Y250-P376 HydrophobicContact CD1-CB 4.23Å; Y250-P376 HydrophobicContact CD1-CG 4.34Å; Y250-P376 HydrophobicContact CD2-CB 4.01Å; Y250-P376 HydrophobicContact CD2-CG 3.58Å; Y250-P376 HydrophobicContact CE1-CB 3.98Å; Y250-P376 HydrophobicContact CE2-CB 3.72Å; Y250-P376 HydrophobicContact CE2-CG 3.76Å; Y250-P376 HydrophobicContact CG-CB 4.24Å; Y250-P376 HydrophobicContact CG-CG 3.88Å; L355-P376 HydrophobicContact CD1-CG 4.18Å; P376-N378 PolarHBondContact O-N 3.29Å; P376-S379 WeakPolarHBondContact CD-OG 3.48Å; P376-S379 VanDerWaalsContact O-CB 3.29Å; P376-S379 WeakPolarHBondContact O-CB 3.45Å; P376-S379 PolarHBondContact O-N 3.16Å; P376-S379 PolarHBondContact O-OG 2.76Å; P376-W412 HydrophobicContact CB-CB 3.38Å; P376-W412 HydrophobicContact CB-CD2 3.66Å; P376-W412 HydrophobicContact CB-CE3 3.88Å; P376-W412 HydrophobicContact CB-CG 3.45Å; P376-W412 VanDerWaalsContact CB-CG 3.45Å; P376-W412 HydrophobicContact CG-CB 4.31Å; P376-W412 HydrophobicContact CG-CD2 3.54Å; P376-W412 HydrophobicContact CG-CE3 3.56Å; P376-W412 HydrophobicContact CG-CG 3.88Å; P376-W412 HydrophobicContact CG-CZ3 4.11Å
377	S	93.1	Very high	95.1	Very high	94 Å²	94	31.5 Å²	31.5	66%	0.657	18%	0.179	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.7	138.9	176.8	-58.5	0	0	0	0	111.4	S379	S377-S379 PolarHBondContact O-N 2.84Å
378	N	94.8	Very high	95.3	Very high	40 Å²	40	32.1 Å²	32.1	21%	0.214	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	51.9	35.9	179	-166.1	42.4	0	0	0	114.1	P376 E408 Y409	P376-N378 PolarHBondContact O-N 3.29Å; N378-E408 PolarHBondContact ND2-O 3.08Å; N378-Y409 VanDerWaalsContact O-CA 3.29Å; N378-Y409 WeakPolarHBondContact O-CA 3.47Å; N378-Y409 VanDerWaalsContact O-CD1 3.26Å; N378-Y409 WeakPolarHBondContact O-CD1 3.09Å
379	S	97.8	Very high	95.5	Very high	1 Å²	1	29.4 Å²	29.4	1%	0.007	17%	0.172	C	C	.	.			trans	-103.4	0.5	-176.9	64.3	0	0	0	0	114.8	P361 P376 S377	P361-S379 VanDerWaalsContact CD-O 3.23Å; P361-S379 WeakPolarHBondContact CD-O 3.15Å; P361-S379 WeakPolarHBondContact CG-O 3.27Å; P376-S379 WeakPolarHBondContact CD-OG 3.48Å; P376-S379 VanDerWaalsContact O-CB 3.29Å; P376-S379 WeakPolarHBondContact O-CB 3.45Å; P376-S379 PolarHBondContact O-N 3.16Å; P376-S379 PolarHBondContact O-OG 2.76Å; S377-S379 PolarHBondContact O-N 2.84Å
380	F	98.5	Very high	95.8	Very high	12 Å²	12	32 Å²	32	5%	0.053	18%	0.18	C	C	.	.			trans	-150.8	161.4	-171.8	67.4	-90.5	0	0	0	113.2	F350 P361 V363 Y371 V372 A375 H382 Y409	F350-F380 HydrophobicContact CE2-CB 3.65Å; F350-F380 HydrophobicContact CE2-CD1 4.42Å; F350-F380 HydrophobicContact CE2-CG 4.17Å; F350-F380 HydrophobicContact CZ-CB 4.14Å; F350-F380 HydrophobicContact CZ-CD1 4.21Å; F350-F380 HydrophobicContact CZ-CG 4.41Å; P361-F380 HydrophobicContact CG-CB 3.73Å; V363-F380 HydrophobicContact CG1-CB 4.28Å; V363-F380 HydrophobicContact CG2-CD2 3.7Å; V363-F380 HydrophobicContact CG2-CE2 4.28Å; Y371-F380 HydrophobicContact CG-CE2 4.21Å; Y371-F380 HydrophobicContact CG-CZ 4.39Å; V372-F380 HydrophobicContact CG2-CZ 4.03Å; A375-F380 HydrophobicContact CB-CD1 3.91Å; A375-F380 HydrophobicContact CB-CE1 3.96Å; F380-H382 HydrophobicContact CD2-CB 4.36Å; F380-H382 HydrophobicContact CE2-CB 4.1Å; F380-Y409 WeakPolarHBondContact O-CE1 3.26Å
381	I	98.6	Very high	96	Very high	2 Å²	2	33.7 Å²	33.7	1%	0.01	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	115.1	175.6	-60.4	170.8	0	0	0	108	F333 V360 P361 I362 V363 F386 L392 Y395 L396 L399 Y409	F333-I381 HydrophobicContact CD1-CD1 4.18Å; F333-I381 HydrophobicContact CE1-CD1 4.06Å; V360-I381 HydrophobicContact CG1-CD1 3.81Å; V360-I381 HydrophobicContact CG1-CG1 3.94Å; P361-I381 PolarHBondContact O-N 3.47Å; I362-I381 CarbonylContact C-O 3.55Å; I362-I381 WeakPolarHBondContact CA-O 3.07Å; I362-I381 HydrophobicContact CG1-CB 4.38Å; I362-I381 HydrophobicContact CG1-CD1 4.48Å; V363-I381 PolarHBondContact N-O 3.01Å; I381-F386 HydrophobicContact CG2-CE2 3.52Å; I381-F386 HydrophobicContact CG2-CZ 3.83Å; I381-L392 HydrophobicContact CG2-CD1 3.72Å; I381-Y395 HydrophobicContact CD1-CD1 4.38Å; I381-Y395 HydrophobicContact CD1-CE1 3.92Å; I381-Y395 HydrophobicContact CG1-CE1 4.19Å; I381-Y395 HydrophobicContact CG2-CD1 4.45Å; I381-Y395 HydrophobicContact CG2-CE1 4.43Å; I381-L396 HydrophobicContact CD1-CD2 3.57Å; I381-L399 HydrophobicContact CD1-CD1 3.67Å; I381-Y409 HydrophobicContact CG1-CE1 3.78Å
382	H	97.6	Very high	96.1	Very high	1 Å²	1	33.7 Å²	33.7	1%	0.005	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	133	177.7	-158.4	-80.2	0	0	0	110.7	V363 G366 K368 Y371 F380 D384 D385 F386	V363-H382 HydrophobicContact CG2-CB 4.07Å; V363-H382 VanDerWaalsContact CG2-CD2 3.45Å; V363-H382 WeakPolarHBondContact CG2-CD2 3.07Å; G366-H382 PolarHBondContact O-NE2 2.95Å; G366-H382 VanDerWaalsContact O-NE2 3.15Å; K368-H382 PolarHBondContact N-NE2 3.3Å; Y371-H382 AromaticContact CD2-CD2 3.58Å; Y371-H382 AromaticContact CD2-NE2 3.7Å; Y371-H382 AromaticContact CE2-CD2 3.91Å; Y371-H382 AromaticContact CE2-NE2 3.73Å; F380-H382 HydrophobicContact CD2-CB 4.36Å; F380-H382 HydrophobicContact CE2-CB 4.1Å; H382-D384 IonicContact CE1-OD2 2.61Å; H382-D384 PolarHBondContact CE1-OD2 2.82Å; H382-D384 VanDerWaalsContact CE1-OD2 3.24Å; H382-D384 WeakPolarHBondContact ND1-CB 3.34Å; H382-D384 PolarHBondContact ND1-N 3.34Å; H382-D384 IonicContact ND1-OD2 2.64Å; H382-D384 PolarHBondContact O-N 3.44Å; H382-D385 WeakPolarHBondContact O-CB 3.48Å; H382-D385 PolarHBondContact O-N 3.29Å; H382-D385 VanDerWaalsContact O-N 3.14Å; H382-F386 WeakPolarHBondContact O-CD2 3.43Å; H382-F386 WeakPolarHBondContact O-CE2 3.42Å
383	V	97	Very high	96.3	Very high	2 Å²	2	32.2 Å²	32.2	1%	0.012	18%	0.179	C	C	.	.	G	3₁₀ helix	trans	-62.2	-29.8	-178.7	-67.5	0	0	0	0	113.5	Y295 F337 I362 V363 M364 D385 F386 L392 P461	Y295-V383 HydrophobicContact CD1-CG1 4.48Å; Y295-V383 HydrophobicContact CE1-CB 4.33Å; Y295-V383 HydrophobicContact CE1-CG1 3.73Å; Y295-V383 HydrophobicContact CE2-CB 4.06Å; Y295-V383 HydrophobicContact CE2-CG1 4.31Å; F337-V383 HydrophobicContact CE1-CG1 3.99Å; F337-V383 HydrophobicContact CZ-CG1 4.25Å; I362-V383 HydrophobicContact CG2-CG1 4.02Å; V363-V383 WeakPolarHBondContact O-CG1 3.26Å; V363-V383 WeakPolarHBondContact O-CG2 3.01Å; V363-V383 PolarHBondContact O-N 3.28Å; V363-V383 VanDerWaalsContact O-N 3.12Å; M364-V383 HydrophobicContact CB-CG1 4.25Å; M364-V383 HydrophobicContact CB-CG2 3.74Å; M364-V383 HydrophobicContact CG-CG2 3.73Å; V383-D385 PolarHBondContact O-N 3.09Å; V383-F386 PolarHBondContact O-N 3.34Å; V383-L392 HydrophobicContact CG1-CD2 4.17Å; V383-P461 HydrophobicContact CG2-CB 3.79Å; V383-P461 HydrophobicContact CG2-CG 4.27Å
384	D	94.2	Very high	96.5	Very high	72 Å²	72	30.8 Å²	30.8	39%	0.385	18%	0.176	S	C	.	.	G	3₁₀ helix	trans	-71.6	-8.7	178.6	-63.6	-17.7	0	0	0	114.3	H382 F386 P461	H382-D384 IonicContact CE1-OD2 2.61Å; H382-D384 PolarHBondContact CE1-OD2 2.82Å; H382-D384 VanDerWaalsContact CE1-OD2 3.24Å; H382-D384 WeakPolarHBondContact ND1-CB 3.34Å; H382-D384 PolarHBondContact ND1-N 3.34Å; H382-D384 IonicContact ND1-OD2 2.64Å; H382-D384 PolarHBondContact O-N 3.44Å; D384-F386 PolarHBondContact O-N 2.82Å; D384-P461 WeakPolarHBondContact OD1-CB 3.23Å
385	D	94.3	Very high	96.7	Very high	56 Å²	56	29.6 Å²	29.6	30%	0.299	17%	0.167	S	C	.	.	G	3₁₀ helix	trans	-74.1	-4.2	173.1	-69.7	-26.8	0	0	0	112.4	K368 H382 V383	K368-D385 WeakPolarHBondContact CD-OD1 3.37Å; K368-D385 WeakPolarHBondContact CE-OD1 3.31Å; K368-D385 IonicContact NZ-OD1 3.49Å; K368-D385 PolarHBondContact NZ-OD1 3.34Å; K368-D385 IonicContact NZ-OD2 3.63Å; K368-D385 PolarHBondContact NZ-OD2 3.19Å; H382-D385 WeakPolarHBondContact O-CB 3.48Å; H382-D385 PolarHBondContact O-N 3.29Å; H382-D385 VanDerWaalsContact O-N 3.14Å; V383-D385 PolarHBondContact O-N 3.09Å
386	F	96	Very high	96.8	Very high	22 Å²	22	29.3 Å²	29.3	10%	0.096	16%	0.164	C	C	.	.	S	Bend	trans	-120.9	138.2	-175.4	-54.5	-84.7	0	0	0	111	I381 H382 V383 D384 S388 Q391 L392 Y395	I381-F386 HydrophobicContact CG2-CE2 3.52Å; I381-F386 HydrophobicContact CG2-CZ 3.83Å; H382-F386 WeakPolarHBondContact O-CD2 3.43Å; H382-F386 WeakPolarHBondContact O-CE2 3.42Å; V383-F386 PolarHBondContact O-N 3.34Å; D384-F386 PolarHBondContact O-N 2.82Å; F386-S388 VanDerWaalsContact C-N 3.27Å; F386-S388 PolarHBondContact O-N 2.93Å; F386-Q391 HydrophobicContact CB-CB 4.34Å; F386-Q391 HydrophobicContact CD1-CB 4.34Å; F386-Q391 HydrophobicContact CD1-CG 3.99Å; F386-L392 HydrophobicContact CB-CB 4.18Å; F386-L392 HydrophobicContact CD1-CB 4.16Å; F386-L392 HydrophobicContact CD2-CB 3.91Å; F386-L392 HydrophobicContact CD2-CD1 3.79Å; F386-L392 HydrophobicContact CD2-CG 4.37Å; F386-L392 HydrophobicContact CE1-CD1 4.43Å; F386-L392 HydrophobicContact CE2-CB 4.42Å; F386-L392 HydrophobicContact CE2-CD1 3.49Å; F386-L392 VanDerWaalsContact CE2-CD1 3.49Å; F386-L392 HydrophobicContact CG-CB 3.78Å; F386-L392 HydrophobicContact CG-CD1 4.4Å; F386-L392 HydrophobicContact CZ-CD1 3.84Å; F386-Y395 VanDerWaalsContact CE1-CB 3.48Å; F386-Y395 AromaticContact CE1-CD1 3.73Å; F386-Y395 HydrophobicContact CE1-CD1 3.73Å; F386-Y395 AromaticContact CE1-CG 3.64Å; F386-Y395 HydrophobicContact CE1-CG 3.64Å; F386-Y395 AromaticContact CZ-CD1 3.4Å; F386-Y395 HydrophobicContact CZ-CD1 3.4Å; F386-Y395 VanDerWaalsContact CZ-CD1 3.4Å; F386-Y395 HydrophobicContact CZ-CE1 4.1Å; F386-Y395 AromaticContact CZ-CG 3.84Å; F386-Y395 HydrophobicContact CZ-CG 3.84Å
387	T	94.4	Very high	96.9	Very high	110 Å²	110	32.4 Å²	32.4	68%	0.675	18%	0.177	S	C	*	.	S	Bend	trans	-76.7	-15.2	177.4	61	0	0	0	0	112.9	Q391	T387-Q391 PolarHBondContact OG1-OE1 3.37Å
388	S	96	Very high	97.2	Very high	40 Å²	40	28.5 Å²	28.5	28%	0.28	15%	0.147	S	C	.	.	S	Bend	trans	-155.5	156.4	175.7	61.1	0	0	0	0	111.7	F386 K390 Q391 L392	F386-S388 VanDerWaalsContact C-N 3.27Å; F386-S388 PolarHBondContact O-N 2.93Å; S388-K390 PolarHBondContact O-N 3.12Å; S388-Q391 WeakPolarHBondContact O-CB 3.28Å; S388-Q391 PolarHBondContact O-N 2.83Å; S388-Q391 PolarHBondContact OG-N 2.89Å; S388-L392 PolarHBondContact O-N 3.1Å
389	V	97.7	Very high	97.4	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-58.4	-33.9	173.5	-179.1	0	0	0	0	111.8	Y295 E298 L299 Y302 L392 S393 I463	Y295-V389 HydrophobicContact CD1-CG2 4.43Å; Y295-V389 HydrophobicContact CD2-CG2 4.16Å; Y295-V389 HydrophobicContact CE1-CG1 4.3Å; Y295-V389 HydrophobicContact CE1-CG2 4.05Å; Y295-V389 HydrophobicContact CE2-CG2 3.74Å; Y295-V389 HydrophobicContact CG-CG2 4.47Å; E298-V389 HydrophobicContact CB-CB 4.47Å; E298-V389 HydrophobicContact CB-CG1 4.18Å; E298-V389 HydrophobicContact CB-CG2 4.21Å; E298-V389 HydrophobicContact CG-CB 3.84Å; E298-V389 HydrophobicContact CG-CG1 3.95Å; E298-V389 HydrophobicContact CG-CG2 3.85Å; L299-V389 HydrophobicContact CB-CG1 3.66Å; L299-V389 HydrophobicContact CD1-CG1 3.75Å; L299-V389 HydrophobicContact CG-CG1 4.32Å; Y302-V389 HydrophobicContact CD2-CG1 4.27Å; Y302-V389 HydrophobicContact CE2-CG1 4.38Å; V389-L392 PolarHBondContact O-N 2.83Å; V389-S393 PolarHBondContact O-N 2.85Å; V389-I463 HydrophobicContact CG2-CG2 4.37Å; V389-I463 VanDerWaalsContact CG2-OXT 3.29Å; V389-I463 WeakPolarHBondContact CG2-OXT 3.38Å
390	K	97.8	Very high	97.4	Very high	81 Å²	81	28.7 Å²	28.7	35%	0.352	15%	0.148	S	C	.	.	H	α-helix	trans	-62.6	-41.8	174	179.4	60.7	172.3	69.4	0	112.2	Y302 S388 S393 D394	Y302-K390 HydrophobicContact CD1-CD 3.4Å; Y302-K390 VanDerWaalsContact CD1-CD 3.4Å; Y302-K390 HydrophobicContact CD2-CB 4.35Å; Y302-K390 HydrophobicContact CD2-CD 4.27Å; Y302-K390 HydrophobicContact CE1-CB 4.42Å; Y302-K390 HydrophobicContact CE1-CD 3.79Å; Y302-K390 HydrophobicContact CE2-CB 4.19Å; Y302-K390 HydrophobicContact CG-CD 3.65Å; S388-K390 PolarHBondContact O-N 3.12Å; K390-S393 WeakPolarHBondContact O-CB 3.32Å; K390-S393 PolarHBondContact O-N 2.98Å; K390-D394 IonicContact NZ-OD1 2.71Å; K390-D394 PolarHBondContact NZ-OD1 2.88Å; K390-D394 IonicContact NZ-OD2 3.73Å; K390-D394 PolarHBondContact NZ-OD2 3.01Å; K390-D394 PolarHBondContact O-N 2.82Å
391	Q	97.5	Very high	97.3	Very high	38 Å²	38	34.3 Å²	34.3	18%	0.178	17%	0.169	C	C	.	.	H	α-helix	trans	-64.7	-41.6	178.1	-169.2	-168.2	15	0	0	111.2	Y56 F386 T387 S388 S393 D394 Y395	Y56-Q391 HydrophobicContact CE1-CG 4.46Å; Y56-Q391 WeakPolarHBondContact OH-CG 3.41Å; Y56-Q391 PolarHBondContact OH-O 2.79Å; F386-Q391 HydrophobicContact CB-CB 4.34Å; F386-Q391 HydrophobicContact CD1-CB 4.34Å; F386-Q391 HydrophobicContact CD1-CG 3.99Å; T387-Q391 PolarHBondContact OG1-OE1 3.37Å; S388-Q391 WeakPolarHBondContact O-CB 3.28Å; S388-Q391 PolarHBondContact O-N 2.83Å; S388-Q391 PolarHBondContact OG-N 2.89Å; Q391-S393 VanDerWaalsContact C-N 3.35Å; Q391-S393 PolarHBondContact O-N 3.17Å; Q391-D394 PolarHBondContact O-N 3.15Å; Q391-Y395 PolarHBondContact O-N 2.74Å
392	L	98	Very high	97.3	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-56.5	-50	171.1	170.4	64	0	0	0	110.5	Y295 L299 I362 I381 V383 F386 S388 V389 D394 Y395 L396	Y295-L392 HydrophobicContact CE1-CD2 3.8Å; Y295-L392 WeakPolarHBondContact OH-CD2 3.33Å; L299-L392 HydrophobicContact CD1-CD2 4.25Å; L299-L392 HydrophobicContact CD1-CG 4.47Å; L299-L392 HydrophobicContact CD2-CD2 4.44Å; I362-L392 HydrophobicContact CG2-CD1 4.43Å; I362-L392 HydrophobicContact CG2-CD2 4.12Å; I381-L392 HydrophobicContact CG2-CD1 3.72Å; V383-L392 HydrophobicContact CG1-CD2 4.17Å; F386-L392 HydrophobicContact CB-CB 4.18Å; F386-L392 HydrophobicContact CD1-CB 4.16Å; F386-L392 HydrophobicContact CD2-CB 3.91Å; F386-L392 HydrophobicContact CD2-CD1 3.79Å; F386-L392 HydrophobicContact CD2-CG 4.37Å; F386-L392 HydrophobicContact CE1-CD1 4.43Å; F386-L392 HydrophobicContact CE2-CB 4.42Å; F386-L392 HydrophobicContact CE2-CD1 3.49Å; F386-L392 VanDerWaalsContact CE2-CD1 3.49Å; F386-L392 HydrophobicContact CG-CB 3.78Å; F386-L392 HydrophobicContact CG-CD1 4.4Å; F386-L392 HydrophobicContact CZ-CD1 3.84Å; S388-L392 PolarHBondContact O-N 3.1Å; V389-L392 PolarHBondContact O-N 2.83Å; L392-D394 VanDerWaalsContact C-N 3.29Å; L392-D394 PolarHBondContact O-N 2.85Å; L392-Y395 WeakPolarHBondContact O-CB 3.25Å; L392-Y395 PolarHBondContact O-N 2.79Å; L392-Y395 VanDerWaalsContact O-N 3.09Å; L392-L396 HydrophobicContact CD1-CD1 4.21Å; L392-L396 HydrophobicContact CD1-CD2 4.28Å; L392-L396 HydrophobicContact CD1-CG 4.08Å; L392-L396 HydrophobicContact CG-CD1 4.17Å; L392-L396 HydrophobicContact CG-CG 4.43Å; L392-L396 WeakPolarHBondContact O-CG 3.36Å; L392-L396 PolarHBondContact O-N 3.2Å
393	S	98.5	Very high	97.2	Very high	1 Å²	1	41.7 Å²	41.7	1%	0.007	20%	0.203	C	C	.	.	H	α-helix	trans	-56.2	-42.4	177.7	178.4	0	0	0	0	112.7	Y302 I303 V389 K390 Q391 Y395 L396 Y397	Y302-S393 VanDerWaalsContact CB-OG 3.31Å; Y302-S393 WeakPolarHBondContact CB-OG 3.43Å; I303-S393 WeakPolarHBondContact CB-OG 3.34Å; V389-S393 PolarHBondContact O-N 2.85Å; K390-S393 WeakPolarHBondContact O-CB 3.32Å; K390-S393 PolarHBondContact O-N 2.98Å; Q391-S393 VanDerWaalsContact C-N 3.35Å; Q391-S393 PolarHBondContact O-N 3.17Å; S393-Y395 VanDerWaalsContact C-N 3.31Å; S393-Y395 PolarHBondContact O-N 2.86Å; S393-L396 PolarHBondContact O-N 2.87Å; S393-Y397 WeakPolarHBondContact O-CB 3.23Å; S393-Y397 VanDerWaalsContact O-CD2 3.22Å; S393-Y397 WeakPolarHBondContact O-CD2 3.5Å; S393-Y397 PolarHBondContact O-N 2.74Å
394	D	98.4	Very high	97.1	Very high	35 Å²	35	46.5 Å²	46.5	19%	0.187	23%	0.233	C	C	.	.	H	α-helix	trans	-63.6	-39.4	177.4	-74.4	-24.5	0	0	0	112	L52 Y56 K390 Q391 L392 Y397 Y398	L52-D394 HydrophobicContact CD1-CB 4.24Å; L52-D394 HydrophobicContact CD2-CB 4.23Å; L52-D394 WeakPolarHBondContact CD2-O 3.45Å; Y56-D394 HydrophobicContact CE2-CB 4.16Å; K390-D394 IonicContact NZ-OD1 2.71Å; K390-D394 PolarHBondContact NZ-OD1 2.88Å; K390-D394 IonicContact NZ-OD2 3.73Å; K390-D394 PolarHBondContact NZ-OD2 3.01Å; K390-D394 PolarHBondContact O-N 2.82Å; Q391-D394 PolarHBondContact O-N 3.15Å; L392-D394 VanDerWaalsContact C-N 3.29Å; L392-D394 PolarHBondContact O-N 2.85Å; D394-Y397 WeakPolarHBondContact O-CB 3.48Å; D394-Y397 PolarHBondContact O-N 2.91Å; D394-Y398 PolarHBondContact O-N 3.05Å
395	Y	98.5	Very high	97.2	Very high	8 Å²	8	43.4 Å²	43.4	3%	0.031	22%	0.217	C	C	.	.	H	α-helix	trans	-66.2	-41.1	176.4	-179.4	-109.6	0	0	0	112.6	Y56 F60 I381 F386 Q391 L392 S393 Y397 Y398 L399 Y409	Y56-Y395 AromaticContact CD1-CD2 3.54Å; Y56-Y395 HydrophobicContact CD1-CD2 3.54Å; Y56-Y395 HydrophobicContact CD1-CE2 4.32Å; Y56-Y395 HydrophobicContact CD1-CG 4.39Å; Y56-Y395 HydrophobicContact CD2-CD2 4.41Å; Y56-Y395 AromaticContact CE1-CD2 3.97Å; Y56-Y395 HydrophobicContact CE1-CD2 3.97Å; Y56-Y395 HydrophobicContact CE1-CG 4.39Å; Y56-Y395 AromaticContact CG-CD2 3.8Å; Y56-Y395 HydrophobicContact CG-CD2 3.8Å; Y56-Y395 HydrophobicContact CG-CE2 4.5Å; F60-Y395 HydrophobicContact CD2-CE2 4.19Å; F60-Y395 HydrophobicContact CE2-CE2 4.09Å; F60-Y395 AromaticContact CE2-CZ 3.66Å; F60-Y395 WeakPolarHBondContact CE2-OH 3.42Å; F60-Y395 VanDerWaalsContact CZ-OH 3.25Å; F60-Y395 WeakPolarHBondContact CZ-OH 3.48Å; I381-Y395 HydrophobicContact CD1-CD1 4.38Å; I381-Y395 HydrophobicContact CD1-CE1 3.92Å; I381-Y395 HydrophobicContact CG1-CE1 4.19Å; I381-Y395 HydrophobicContact CG2-CD1 4.45Å; I381-Y395 HydrophobicContact CG2-CE1 4.43Å; F386-Y395 VanDerWaalsContact CE1-CB 3.48Å; F386-Y395 AromaticContact CE1-CD1 3.73Å; F386-Y395 HydrophobicContact CE1-CD1 3.73Å; F386-Y395 AromaticContact CE1-CG 3.64Å; F386-Y395 HydrophobicContact CE1-CG 3.64Å; F386-Y395 AromaticContact CZ-CD1 3.4Å; F386-Y395 HydrophobicContact CZ-CD1 3.4Å; F386-Y395 VanDerWaalsContact CZ-CD1 3.4Å; F386-Y395 HydrophobicContact CZ-CE1 4.1Å; F386-Y395 AromaticContact CZ-CG 3.84Å; F386-Y395 HydrophobicContact CZ-CG 3.84Å; Q391-Y395 PolarHBondContact O-N 2.74Å; L392-Y395 WeakPolarHBondContact O-CB 3.25Å; L392-Y395 PolarHBondContact O-N 2.79Å; L392-Y395 VanDerWaalsContact O-N 3.09Å; S393-Y395 VanDerWaalsContact C-N 3.31Å; S393-Y395 PolarHBondContact O-N 2.86Å; Y395-Y397 VanDerWaalsContact C-N 3.3Å; Y395-Y397 PolarHBondContact O-N 2.76Å; Y395-Y398 AromaticContact CD2-CD1 3.93Å; Y395-Y398 HydrophobicContact CD2-CD1 3.93Å; Y395-Y398 AromaticContact CE2-CD1 3.72Å; Y395-Y398 HydrophobicContact CE2-CD1 3.72Å; Y395-Y398 HydrophobicContact CE2-CE1 4.05Å; Y395-Y398 VanDerWaalsContact O-CB 3.32Å; Y395-Y398 WeakPolarHBondContact O-CB 3.29Å; Y395-Y398 PolarHBondContact O-N 3.07Å; Y395-Y398 VanDerWaalsContact O-N 3.12Å; Y395-L399 HydrophobicContact CD1-CD1 4.21Å; Y395-L399 HydrophobicContact CE1-CD1 3.51Å; Y395-L399 HydrophobicContact CE1-CG 4.04Å; Y395-L399 HydrophobicContact CE2-CD2 4.4Å; Y395-L399 HydrophobicContact CE2-CG 4.27Å; Y395-L399 PolarHBondContact O-N 3.21Å; Y395-L399 WeakPolarHBondContact OH-CD2 3.46Å; Y395-Y409 WeakPolarHBondContact CE1-OH 3.3Å; Y395-Y409 WeakPolarHBondContact OH-CE2 3.5Å; Y395-Y409 PolarHBondContact OH-OH 3.11Å
396	L	98.6	Very high	97.4	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-63.4	-38	174.9	-61.9	176.4	0	0	0	112	I279 I303 F333 I362 I381 L392 S393 Y398 L399 D400	I279-L396 HydrophobicContact CD1-CD1 3.74Å; I279-L396 HydrophobicContact CG1-CD1 4.38Å; I303-L396 HydrophobicContact CD1-CB 3.84Å; I303-L396 HydrophobicContact CD1-CD1 4.11Å; F333-L396 HydrophobicContact CD1-CD2 3.72Å; F333-L396 HydrophobicContact CD2-CB 4.48Å; F333-L396 HydrophobicContact CD2-CD2 4.2Å; F333-L396 HydrophobicContact CE1-CD2 3.73Å; F333-L396 HydrophobicContact CE2-CB 4.12Å; F333-L396 HydrophobicContact CE2-CD2 4.2Å; F333-L396 HydrophobicContact CG-CD2 3.99Å; F333-L396 HydrophobicContact CZ-CB 4.39Å; F333-L396 HydrophobicContact CZ-CD2 3.99Å; I362-L396 HydrophobicContact CD1-CD1 3.52Å; I362-L396 HydrophobicContact CD1-CD2 3.77Å; I362-L396 HydrophobicContact CD1-CG 4.3Å; I362-L396 HydrophobicContact CG1-CD2 4.16Å; I381-L396 HydrophobicContact CD1-CD2 3.57Å; L392-L396 HydrophobicContact CD1-CD1 4.21Å; L392-L396 HydrophobicContact CD1-CD2 4.28Å; L392-L396 HydrophobicContact CD1-CG 4.08Å; L392-L396 HydrophobicContact CG-CD1 4.17Å; L392-L396 HydrophobicContact CG-CG 4.43Å; L392-L396 WeakPolarHBondContact O-CG 3.36Å; L392-L396 PolarHBondContact O-N 3.2Å; S393-L396 PolarHBondContact O-N 2.87Å; L396-Y398 VanDerWaalsContact C-N 3.34Å; L396-L399 PolarHBondContact O-N 3.13Å; L396-D400 WeakPolarHBondContact O-CB 3.37Å; L396-D400 PolarHBondContact O-N 3.16Å
397	Y	98.6	Very high	97.4	Very high	66 Å²	66	41 Å²	41	26%	0.259	21%	0.206	S	C	.	.	H	α-helix	trans	-67.3	-31.1	172.9	-90.9	-44.6	0	0	0	113.6	M278 Y302 I303 S393 D394 Y395 R401	M278-Y397 HydrophobicContact CE-CD1 3.95Å; M278-Y397 HydrophobicContact CE-CE1 4.16Å; Y302-Y397 WeakPolarHBondContact O-CE2 3.49Å; Y302-Y397 PolarHBondContact O-OH 2.96Å; Y302-Y397 VanDerWaalsContact O-OH 3.13Å; I303-Y397 HydrophobicContact CB-CE2 4.23Å; I303-Y397 HydrophobicContact CD1-CE2 4.42Å; I303-Y397 HydrophobicContact CG1-CE2 4.43Å; S393-Y397 WeakPolarHBondContact O-CB 3.23Å; S393-Y397 VanDerWaalsContact O-CD2 3.22Å; S393-Y397 WeakPolarHBondContact O-CD2 3.5Å; S393-Y397 PolarHBondContact O-N 2.74Å; D394-Y397 WeakPolarHBondContact O-CB 3.48Å; D394-Y397 PolarHBondContact O-N 2.91Å; Y395-Y397 VanDerWaalsContact C-N 3.3Å; Y395-Y397 PolarHBondContact O-N 2.76Å; Y397-R401 VanDerWaalsContact CB-NH1 3.25Å; Y397-R401 WeakPolarHBondContact O-CG 3.34Å; Y397-R401 PolarHBondContact O-N 2.96Å; Y397-R401 PolarHBondContact O-NH1 3.32Å
398	Y	98.3	Very high	97.5	Very high	11 Å²	11	38.5 Å²	38.5	4%	0.043	19%	0.186	C	C	.	.	H	α-helix	trans	-65.8	-49.7	170.2	158.5	-105	0	0	0	110.8	I53 Y56 D394 Y395 L396 D400 R401 N402 A405	I53-Y398 HydrophobicContact CB-CD2 4.3Å; I53-Y398 HydrophobicContact CB-CE2 4.23Å; I53-Y398 HydrophobicContact CG1-CD2 3.83Å; I53-Y398 HydrophobicContact CG1-CE2 4.07Å; I53-Y398 HydrophobicContact CG2-CE2 4.12Å; Y56-Y398 HydrophobicContact CD2-CG 4.41Å; D394-Y398 PolarHBondContact O-N 3.05Å; Y395-Y398 AromaticContact CD2-CD1 3.93Å; Y395-Y398 HydrophobicContact CD2-CD1 3.93Å; Y395-Y398 AromaticContact CE2-CD1 3.72Å; Y395-Y398 HydrophobicContact CE2-CD1 3.72Å; Y395-Y398 HydrophobicContact CE2-CE1 4.05Å; Y395-Y398 VanDerWaalsContact O-CB 3.32Å; Y395-Y398 WeakPolarHBondContact O-CB 3.29Å; Y395-Y398 PolarHBondContact O-N 3.07Å; Y395-Y398 VanDerWaalsContact O-N 3.12Å; L396-Y398 VanDerWaalsContact C-N 3.34Å; Y398-D400 VanDerWaalsContact C-N 3.33Å; Y398-D400 PolarHBondContact O-N 3.42Å; Y398-R401 PolarHBondContact O-N 3.02Å; Y398-N402 HydrophobicContact CD2-CB 4.3Å; Y398-N402 HydrophobicContact CE2-CB 3.91Å; Y398-N402 WeakPolarHBondContact CE2-ND2 3.45Å; Y398-N402 WeakPolarHBondContact O-CB 3.44Å; Y398-N402 PolarHBondContact O-N 3.25Å; Y398-N402 PolarHBondContact OH-ND2 3.15Å; Y398-N402 VanDerWaalsContact OH-ND2 3.12Å; Y398-A405 HydrophobicContact CE1-CB 3.77Å; Y398-A405 WeakPolarHBondContact OH-CB 3.47Å
399	L	98.1	Very high	97.6	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-61.7	-39.8	178.2	-70.3	-178.3	0	0	0	112.5	F333 I381 Y395 L396 R401 N402 A405 Y406 Y409	F333-L399 HydrophobicContact CE1-CB 4.3Å; F333-L399 HydrophobicContact CE1-CD1 3.82Å; F333-L399 HydrophobicContact CZ-CB 3.78Å; F333-L399 HydrophobicContact CZ-CD1 4.11Å; I381-L399 HydrophobicContact CD1-CD1 3.67Å; Y395-L399 HydrophobicContact CD1-CD1 4.21Å; Y395-L399 HydrophobicContact CE1-CD1 3.51Å; Y395-L399 HydrophobicContact CE1-CG 4.04Å; Y395-L399 HydrophobicContact CE2-CD2 4.4Å; Y395-L399 HydrophobicContact CE2-CG 4.27Å; Y395-L399 PolarHBondContact O-N 3.21Å; Y395-L399 WeakPolarHBondContact OH-CD2 3.46Å; L396-L399 PolarHBondContact O-N 3.13Å; L399-R401 PolarHBondContact O-N 3.21Å; L399-N402 CarbonylContact O-C 3.54Å; L399-N402 PolarHBondContact O-N 3.34Å; L399-A405 HydrophobicContact CD2-CB 3.8Å; L399-Y406 HydrophobicContact CB-CD2 4.46Å; L399-Y406 WeakPolarHBondContact O-CB 3.49Å; L399-Y409 HydrophobicContact CD1-CD2 4.26Å; L399-Y409 HydrophobicContact CD1-CE2 3.57Å; L399-Y409 HydrophobicContact CD2-CD2 4.44Å; L399-Y409 HydrophobicContact CD2-CE2 3.85Å; L399-Y409 HydrophobicContact CG-CE2 4.37Å
400	D	97.9	Very high	97.5	Very high	46 Å²	46	37.4 Å²	37.4	25%	0.246	18%	0.176	C	C	.	.	H	α-helix	trans	-57.5	-38.4	176.2	172.9	57.1	0	0	0	112.9	M278 K332 L396 Y398	M278-D400 HydrophobicContact CE-CB 3.68Å; M278-D400 HydrophobicContact SD-CB 3.85Å; M278-D400 VanDerWaalsContact SD-CG 3.59Å; K332-D400 HydrophobicContact CD-CB 4.34Å; K332-D400 VanDerWaalsContact CD-OD1 3.31Å; K332-D400 WeakPolarHBondContact CD-OD1 3.05Å; K332-D400 WeakPolarHBondContact CE-OD1 3.47Å; K332-D400 PolarHBondContact NZ-O 3.43Å; K332-D400 VanDerWaalsContact NZ-O 3.08Å; K332-D400 IonicContact NZ-OD1 3.24Å; K332-D400 PolarHBondContact NZ-OD1 2.88Å; L396-D400 WeakPolarHBondContact O-CB 3.37Å; L396-D400 PolarHBondContact O-N 3.16Å; Y398-D400 VanDerWaalsContact C-N 3.33Å; Y398-D400 PolarHBondContact O-N 3.42Å
401	R	97.6	Very high	97.3	Very high	130 Å²	130	38.4 Å²	38.4	49%	0.491	18%	0.18	S	C	.	.	H	α-helix	trans	-88.7	-23.6	-178.4	-64.4	-178.5	-175.4	93.2	-3	113.7	Y397 Y398 L399	Y397-R401 VanDerWaalsContact CB-NH1 3.25Å; Y397-R401 WeakPolarHBondContact O-CG 3.34Å; Y397-R401 PolarHBondContact O-N 2.96Å; Y397-R401 PolarHBondContact O-NH1 3.32Å; Y398-R401 PolarHBondContact O-N 3.02Å; L399-R401 PolarHBondContact O-N 3.21Å
402	N	97.4	Very high	97.2	Very high	42 Å²	42	37 Å²	37	23%	0.225	17%	0.174	C	C	.	.			trans	-107.1	92.1	-179.8	-173	-17.3	0	0	0	110.7	Y398 L399 T404 A405 Y406	Y398-N402 HydrophobicContact CD2-CB 4.3Å; Y398-N402 HydrophobicContact CE2-CB 3.91Å; Y398-N402 WeakPolarHBondContact CE2-ND2 3.45Å; Y398-N402 WeakPolarHBondContact O-CB 3.44Å; Y398-N402 PolarHBondContact O-N 3.25Å; Y398-N402 PolarHBondContact OH-ND2 3.15Å; Y398-N402 VanDerWaalsContact OH-ND2 3.12Å; L399-N402 CarbonylContact O-C 3.54Å; L399-N402 PolarHBondContact O-N 3.34Å; N402-T404 VanDerWaalsContact C-N 3.27Å; N402-T404 PolarHBondContact O-N 2.97Å; N402-T404 PolarHBondContact OD1-N 2.94Å; N402-A405 HydrophobicContact CB-CB 4.03Å; N402-A405 PolarHBondContact O-N 3.33Å; N402-A405 PolarHBondContact OD1-N 3.04Å; N402-A405 VanDerWaalsContact OD1-N 3.12Å; N402-Y406 PolarHBondContact O-N 3.13Å
403	K	95.5	Very high	96.9	Very high	116 Å²	116	38.8 Å²	38.8	50%	0.504	18%	0.182	S	C	.	.	H	α-helix	trans	-56.4	-38.9	179.4	-66.7	-173.8	167.8	-158.5	0	113.3	D270 Y406 N407	D270-K403 IonicContact OD2-NZ 2.76Å; D270-K403 PolarHBondContact OD2-NZ 3.42Å; K403-Y406 PolarHBondContact O-N 2.78Å; K403-N407 WeakPolarHBondContact O-CB 3.47Å; K403-N407 PolarHBondContact O-N 3.17Å; K403-N407 PolarHBondContact O-ND2 3.34Å
404	T	95.9	Very high	96.6	Very high	102 Å²	102	40.6 Å²	40.6	63%	0.626	19%	0.191	S	C	*	.	H	α-helix	trans	-62	-52.6	178.8	-55.3	0	0	0	0	109.7	N402 Y406 N407 E408	N402-T404 VanDerWaalsContact C-N 3.27Å; N402-T404 PolarHBondContact O-N 2.97Å; N402-T404 PolarHBondContact OD1-N 2.94Å; T404-Y406 VanDerWaalsContact C-N 3.33Å; T404-Y406 PolarHBondContact O-N 3.38Å; T404-N407 PolarHBondContact O-N 3.37Å; T404-E408 WeakPolarHBondContact O-CG 3.42Å; T404-E408 PolarHBondContact O-N 3.02Å
405	A	96.4	Very high	96.3	Very high	7 Å²	7	44.5 Å²	44.5	6%	0.058	21%	0.208	C	C	.	.	H	α-helix	trans	-62.2	-37.7	179.2	0	0	0	0	0	113	Y398 L399 N402 E408	Y398-A405 HydrophobicContact CE1-CB 3.77Å; Y398-A405 WeakPolarHBondContact OH-CB 3.47Å; L399-A405 HydrophobicContact CD2-CB 3.8Å; N402-A405 HydrophobicContact CB-CB 4.03Å; N402-A405 PolarHBondContact O-N 3.33Å; N402-A405 PolarHBondContact OD1-N 3.04Å; N402-A405 VanDerWaalsContact OD1-N 3.12Å; A405-E408 WeakPolarHBondContact O-CB 3.31Å; A405-E408 PolarHBondContact O-N 3.17Å
406	Y	97.8	Very high	96.1	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-63.7	-44.2	174.8	177.6	-95.7	0	0	0	112.4	F271 K275 K332 F333 V360 L399 N402 K403 T404 E408 Y409 F410	F271-Y406 HydrophobicContact CB-CE1 4.26Å; K275-Y406 WeakPolarHBondContact CD-OH 3.06Å; K332-Y406 WeakPolarHBondContact CA-OH 3.45Å; K332-Y406 HydrophobicContact CB-CE2 3.77Å; K332-Y406 HydrophobicContact CD-CE2 4.4Å; K332-Y406 HydrophobicContact CG-CE2 4.2Å; K332-Y406 PolarHBondContact O-OH 3.42Å; F333-Y406 HydrophobicContact CE1-CD2 4.23Å; F333-Y406 HydrophobicContact CE1-CE2 4.09Å; F333-Y406 HydrophobicContact CZ-CD2 4.14Å; F333-Y406 HydrophobicContact CZ-CE2 4.17Å; V360-Y406 HydrophobicContact CG2-CD2 4.32Å; V360-Y406 HydrophobicContact CG2-CE2 3.74Å; L399-Y406 HydrophobicContact CB-CD2 4.46Å; L399-Y406 WeakPolarHBondContact O-CB 3.49Å; N402-Y406 PolarHBondContact O-N 3.13Å; K403-Y406 PolarHBondContact O-N 2.78Å; T404-Y406 VanDerWaalsContact C-N 3.33Å; T404-Y406 PolarHBondContact O-N 3.38Å; Y406-E408 VanDerWaalsContact C-N 3.27Å; Y406-E408 PolarHBondContact O-N 3.16Å; Y406-Y409 WeakPolarHBondContact O-CB 3.2Å; Y406-Y409 PolarHBondContact O-N 2.76Å; Y406-F410 HydrophobicContact CD1-CE2 4.09Å; Y406-F410 HydrophobicContact CE1-CD2 4.27Å; Y406-F410 AromaticContact CE1-CE2 3.47Å; Y406-F410 HydrophobicContact CE1-CE2 3.47Å; Y406-F410 VanDerWaalsContact CE1-CE2 3.47Å; Y406-F410 HydrophobicContact CE1-CZ 4.25Å; Y406-F410 HydrophobicContact CE2-CE2 4.21Å; Y406-F410 AromaticContact CZ-CE2 3.54Å; Y406-F410 AromaticContact CZ-CZ 3.97Å
407	N	96.6	Very high	95.9	Very high	29 Å²	29	44.6 Å²	44.6	16%	0.155	21%	0.21	C	C	.	.	H	α-helix	trans	-71.6	-18.9	-178.1	-77.9	-68.1	0	0	0	113.8	K269 D270 F271 K403 T404 Y409 F410	K269-N407 PolarHBondContact O-OD1 2.85Å; D270-N407 WeakPolarHBondContact CA-OD1 3.33Å; D270-N407 PolarHBondContact OD1-ND2 3.31Å; F271-N407 PolarHBondContact N-OD1 3.42Å; K403-N407 WeakPolarHBondContact O-CB 3.47Å; K403-N407 PolarHBondContact O-N 3.17Å; K403-N407 PolarHBondContact O-ND2 3.34Å; T404-N407 PolarHBondContact O-N 3.37Å; N407-Y409 PolarHBondContact O-N 3.49Å; N407-F410 PolarHBondContact O-N 3.3Å
408	E	95.9	Very high	95.8	Very high	56 Å²	56	41.7 Å²	41.7	26%	0.262	20%	0.199	S	C	.	.	G	3₁₀ helix	trans	-55.3	-31	170	-67.2	-58.7	130.7	0	0	112.3	N378 T404 A405 Y406 F410 K411	N378-E408 PolarHBondContact ND2-O 3.08Å; T404-E408 WeakPolarHBondContact O-CG 3.42Å; T404-E408 PolarHBondContact O-N 3.02Å; A405-E408 WeakPolarHBondContact O-CB 3.31Å; A405-E408 PolarHBondContact O-N 3.17Å; Y406-E408 VanDerWaalsContact C-N 3.27Å; Y406-E408 PolarHBondContact O-N 3.16Å; E408-F410 PolarHBondContact O-N 3.02Å; E408-F410 VanDerWaalsContact O-N 3.16Å; E408-K411 PolarHBondContact O-N 3.18Å; E408-K411 WeakPolarHBondContact OE1-CE 3.25Å; E408-K411 IonicContact OE1-NZ 2.83Å; E408-K411 PolarHBondContact OE1-NZ 3.31Å; E408-K411 VanDerWaalsContact OE2-CD 3.29Å; E408-K411 WeakPolarHBondContact OE2-CD 3.44Å; E408-K411 WeakPolarHBondContact OE2-CE 3.49Å; E408-K411 IonicContact OE2-NZ 3.13Å; E408-K411 PolarHBondContact OE2-NZ 3.48Å
409	Y	97.5	Very high	95.5	Very high	11 Å²	11	45 Å²	45	4%	0.043	22%	0.218	C	C	.	.	G	3₁₀ helix	trans	-68.8	-8.4	178.4	-76.4	-83.8	0	0	0	114.9	F60 V360 N378 F380 I381 Y395 L399 Y406 N407 W412	F60-Y409 AromaticContact CZ-CE2 3.8Å; F60-Y409 HydrophobicContact CZ-CE2 3.8Å; F60-Y409 AromaticContact CZ-CZ 3.74Å; F60-Y409 WeakPolarHBondContact CZ-OH 3.26Å; V360-Y409 HydrophobicContact CG1-CD1 3.81Å; V360-Y409 HydrophobicContact CG1-CE1 4.25Å; V360-Y409 HydrophobicContact CG1-CG 3.98Å; V360-Y409 HydrophobicContact CG2-CG 4.08Å; N378-Y409 VanDerWaalsContact O-CA 3.29Å; N378-Y409 WeakPolarHBondContact O-CA 3.47Å; N378-Y409 VanDerWaalsContact O-CD1 3.26Å; N378-Y409 WeakPolarHBondContact O-CD1 3.09Å; F380-Y409 WeakPolarHBondContact O-CE1 3.26Å; I381-Y409 HydrophobicContact CG1-CE1 3.78Å; Y395-Y409 WeakPolarHBondContact CE1-OH 3.3Å; Y395-Y409 WeakPolarHBondContact OH-CE2 3.5Å; Y395-Y409 PolarHBondContact OH-OH 3.11Å; L399-Y409 HydrophobicContact CD1-CD2 4.26Å; L399-Y409 HydrophobicContact CD1-CE2 3.57Å; L399-Y409 HydrophobicContact CD2-CD2 4.44Å; L399-Y409 HydrophobicContact CD2-CE2 3.85Å; L399-Y409 HydrophobicContact CG-CE2 4.37Å; Y406-Y409 WeakPolarHBondContact O-CB 3.2Å; Y406-Y409 PolarHBondContact O-N 2.76Å; N407-Y409 PolarHBondContact O-N 3.49Å; Y409-W412 PolarHBondContact O-NE1 3.31Å
410	F	96.1	Very high	95.4	Very high	6 Å²	6	45.6 Å²	45.6	3%	0.026	22%	0.22	C	C	.	.	G	3₁₀ helix	trans	-117.2	-0.7	-176.6	-61.6	-79.4	0	0	0	113.3	F271 N358 V360 Y406 N407 E408 W412 H413	F271-F410 HydrophobicContact CB-CD1 4.4Å; F271-F410 HydrophobicContact CB-CD2 3.72Å; F271-F410 HydrophobicContact CB-CE2 3.93Å; F271-F410 HydrophobicContact CB-CG 3.97Å; F271-F410 HydrophobicContact CB-CZ 4.34Å; F271-F410 HydrophobicContact CD1-CB 4.49Å; F271-F410 HydrophobicContact CD1-CD1 4.09Å; F271-F410 HydrophobicContact CD1-CG 4.19Å; F271-F410 HydrophobicContact CD2-CB 3.34Å; F271-F410 HydrophobicContact CD2-CD1 4.33Å; F271-F410 HydrophobicContact CD2-CD2 4.03Å; F271-F410 AromaticContact CD2-CG 3.64Å; F271-F410 HydrophobicContact CD2-CG 3.64Å; F271-F410 HydrophobicContact CE1-CB 4.5Å; F271-F410 HydrophobicContact CE1-CD1 4.35Å; F271-F410 HydrophobicContact CE2-CB 3.4Å; F271-F410 HydrophobicContact CE2-CG 4.09Å; F271-F410 HydrophobicContact CG-CB 3.91Å; F271-F410 HydrophobicContact CG-CD1 4.03Å; F271-F410 AromaticContact CG-CD2 3.95Å; F271-F410 HydrophobicContact CG-CD2 3.95Å; F271-F410 AromaticContact CG-CG 3.67Å; F271-F410 HydrophobicContact CG-CG 3.67Å; F271-F410 HydrophobicContact CZ-CB 3.98Å; F271-F410 HydrophobicContact CZ-CG 4.5Å; N358-F410 VanDerWaalsContact C-CE1 3.44Å; N358-F410 HydrophobicContact CB-CE1 4.24Å; V360-F410 HydrophobicContact CG2-CE1 4.4Å; V360-F410 HydrophobicContact CG2-CE2 3.52Å; V360-F410 HydrophobicContact CG2-CZ 3.41Å; V360-F410 VanDerWaalsContact CG2-CZ 3.41Å; Y406-F410 HydrophobicContact CD1-CE2 4.09Å; Y406-F410 HydrophobicContact CE1-CD2 4.27Å; Y406-F410 AromaticContact CE1-CE2 3.47Å; Y406-F410 HydrophobicContact CE1-CE2 3.47Å; Y406-F410 VanDerWaalsContact CE1-CE2 3.47Å; Y406-F410 HydrophobicContact CE1-CZ 4.25Å; Y406-F410 HydrophobicContact CE2-CE2 4.21Å; Y406-F410 AromaticContact CZ-CE2 3.54Å; Y406-F410 AromaticContact CZ-CZ 3.97Å; N407-F410 PolarHBondContact O-N 3.3Å; E408-F410 PolarHBondContact O-N 3.02Å; E408-F410 VanDerWaalsContact O-N 3.16Å; F410-W412 PolarHBondContact O-N 2.87Å; F410-W412 VanDerWaalsContact O-N 3.09Å; F410-H413 PolarHBondContact O-CD2 3.06Å; F410-H413 PolarHBondContact O-N 3.01Å; F410-H413 VanDerWaalsContact O-N 3.14Å
411	K	94.3	Very high	95.4	Very high	102 Å²	102	47.5 Å²	47.5	44%	0.443	23%	0.23	S	C	.	.	G	3₁₀ helix	trans	-57.7	-27.3	177.4	-76.9	-171.9	173.6	170.5	0	113.2	E408 H413 N414 H415	E408-K411 PolarHBondContact O-N 3.18Å; E408-K411 WeakPolarHBondContact OE1-CE 3.25Å; E408-K411 IonicContact OE1-NZ 2.83Å; E408-K411 PolarHBondContact OE1-NZ 3.31Å; E408-K411 VanDerWaalsContact OE2-CD 3.29Å; E408-K411 WeakPolarHBondContact OE2-CD 3.44Å; E408-K411 WeakPolarHBondContact OE2-CE 3.49Å; E408-K411 IonicContact OE2-NZ 3.13Å; E408-K411 PolarHBondContact OE2-NZ 3.48Å; K411-H413 PolarHBondContact O-N 3.49Å; K411-H413 VanDerWaalsContact O-N 3.14Å; K411-N414 WeakPolarHBondContact O-CB 3.28Å; K411-N414 PolarHBondContact O-N 3.24Å; K411-N414 VanDerWaalsContact O-N 3.08Å; K411-N414 PolarHBondContact O-ND2 3.07Å; K411-H415 PolarHBondContact O-CD2 3.09Å
412	W	94.5	Very high	95.3	Very high	10 Å²	10	41.8 Å²	41.8	4%	0.038	21%	0.21	C	C	.	.	G	3₁₀ helix	trans	-59	-23.3	178.9	69.6	-96.8	0	0	0	114.1	Y250 L355 P376 Y409 F410 N414 H415 G416 V418	Y250-W412 HydrophobicContact CE2-CE3 4.06Å; L355-W412 HydrophobicContact CB-CH2 4.39Å; L355-W412 HydrophobicContact CB-CZ2 4.08Å; L355-W412 HydrophobicContact CD2-CZ2 4.04Å; L355-W412 HydrophobicContact CG-CZ2 4.5Å; P376-W412 HydrophobicContact CB-CB 3.38Å; P376-W412 HydrophobicContact CB-CD2 3.66Å; P376-W412 HydrophobicContact CB-CE3 3.88Å; P376-W412 HydrophobicContact CB-CG 3.45Å; P376-W412 VanDerWaalsContact CB-CG 3.45Å; P376-W412 HydrophobicContact CG-CB 4.31Å; P376-W412 HydrophobicContact CG-CD2 3.54Å; P376-W412 HydrophobicContact CG-CE3 3.56Å; P376-W412 HydrophobicContact CG-CG 3.88Å; P376-W412 HydrophobicContact CG-CZ3 4.11Å; Y409-W412 PolarHBondContact O-NE1 3.31Å; F410-W412 PolarHBondContact O-N 2.87Å; F410-W412 VanDerWaalsContact O-N 3.09Å; W412-N414 PolarHBondContact O-N 3.33Å; W412-N414 VanDerWaalsContact O-N 3.12Å; W412-H415 PolarHBondContact O-N 3.35Å; W412-G416 PolarHBondContact O-N 2.98Å; W412-G416 VanDerWaalsContact O-N 3.16Å; W412-V418 HydrophobicContact CH2-CG1 4.35Å; W412-V418 HydrophobicContact CH2-CG2 4.32Å; W412-V418 HydrophobicContact CZ3-CG1 4.29Å
413	H	92.8	Very high	95.3	Very high	37 Å²	37	41.7 Å²	41.7	17%	0.171	21%	0.207	C	C	.	.	G	3₁₀ helix	trans	-57	-26.3	174.3	-80.9	-73.8	0	0	0	112.9	F271 N358 F410 K411 H415	F271-H413 AromaticContact CZ-CD2 3.62Å; N358-H413 PolarHBondContact OD1-CE1 2.82Å; N358-H413 PolarHBondContact OD1-NE2 2.04Å; F410-H413 PolarHBondContact O-CD2 3.06Å; F410-H413 PolarHBondContact O-N 3.01Å; F410-H413 VanDerWaalsContact O-N 3.14Å; K411-H413 PolarHBondContact O-N 3.49Å; K411-H413 VanDerWaalsContact O-N 3.14Å; H413-H415 VanDerWaalsContact C-N 3.26Å; H413-H415 PolarHBondContact O-N 3.31Å
414	N	91.3	Very high	95.4	Very high	39 Å²	39	36.5 Å²	36.5	21%	0.209	19%	0.186	C	C	.	.	G	3₁₀ helix	trans	-80.8	-7.7	177.4	-56.3	-43.1	0	0	0	112.9	I265 Q266 K411 W412	I265-N414 HydrophobicContact CG2-CB 4.31Å; I265-N414 VanDerWaalsContact CG2-OD1 3.3Å; I265-N414 WeakPolarHBondContact CG2-OD1 3.36Å; Q266-N414 PolarHBondContact N-OD1 3.07Å; K411-N414 WeakPolarHBondContact O-CB 3.28Å; K411-N414 PolarHBondContact O-N 3.24Å; K411-N414 VanDerWaalsContact O-N 3.08Å; K411-N414 PolarHBondContact O-ND2 3.07Å; W412-N414 PolarHBondContact O-N 3.33Å; W412-N414 VanDerWaalsContact O-N 3.12Å
415	H	92.4	Very high	95.5	Very high	116 Å²	116	33.7 Å²	33.7	54%	0.537	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	-123.1	-10.4	-169.2	-59.7	-62.1	0	0	0	114.1	R252 F253 K411 W412 H413	R252-H415 CarbonylContact C-O 3.59Å; R252-H415 WeakPolarHBondContact CA-O 3.43Å; F253-H415 VanDerWaalsContact CD2-C 3.48Å; F253-H415 PolarHBondContact N-O 2.96Å; K411-H415 PolarHBondContact O-CD2 3.09Å; W412-H415 PolarHBondContact O-N 3.35Å; H413-H415 VanDerWaalsContact C-N 3.26Å; H413-H415 PolarHBondContact O-N 3.31Å
416	G	94.7	Very high	95.6	Very high	2 Å²	2	34 Å²	34	2%	0.021	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-178.8	-174.9	179.7	0	0	0	0	0	113.8	V251 F253 W412	V251-G416 CarbonylContact O-C 3.59Å; V251-G416 WeakPolarHBondContact O-CA 3.4Å; F253-G416 VanDerWaalsContact CE1-C 3.45Å; F253-G416 VanDerWaalsContact CZ-O 3.29Å; F253-G416 WeakPolarHBondContact CZ-O 3.48Å; W412-G416 PolarHBondContact O-N 2.98Å; W412-G416 VanDerWaalsContact O-N 3.16Å
417	T	94.8	Very high	95.6	Very high	9 Å²	9	34 Å²	34	6%	0.055	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140	154.5	179.6	-174.7	0	0	0	0	111.3	F104 Y250 V251 F253 D419	F104-T417 HydrophobicContact CE1-CG2 4Å; F104-T417 HydrophobicContact CZ-CG2 3.85Å; Y250-T417 WeakPolarHBondContact CA-O 3.24Å; Y250-T417 WeakPolarHBondContact CD2-O 3.46Å; V251-T417 HydrophobicContact CG2-CG2 3.61Å; V251-T417 PolarHBondContact N-O 3.18Å; V251-T417 PolarHBondContact O-N 3.44Å; F253-T417 HydrophobicContact CE1-CG2 4.05Å; T417-D419 PolarHBondContact OG1-N 2.68Å
418	V	95.4	Very high	95.7	Very high	4 Å²	4	32.6 Å²	32.6	2%	0.024	16%	0.161	C	C	.	.	S	Bend	trans	-104.1	-3	169.3	-62.8	0	0	0	0	112.1	Y250 F351 L355 K356 W412 F420	Y250-V418 HydrophobicContact CD2-CG1 4.16Å; F351-V418 HydrophobicContact CD1-CB 4.44Å; F351-V418 HydrophobicContact CD1-CG1 4.11Å; L355-V418 HydrophobicContact CD1-CG1 4.17Å; K356-V418 HydrophobicContact CD-CG2 4.33Å; K356-V418 HydrophobicContact CG-CG2 3.51Å; W412-V418 HydrophobicContact CH2-CG1 4.35Å; W412-V418 HydrophobicContact CH2-CG2 4.32Å; W412-V418 HydrophobicContact CZ3-CG1 4.29Å; V418-F420 VanDerWaalsContact C-N 3.29Å; V418-F420 PolarHBondContact O-N 2.93Å; V418-F420 VanDerWaalsContact O-N 3.11Å
419	D	93.4	Very high	95.8	Very high	82 Å²	82	29.9 Å²	29.9	44%	0.439	15%	0.148	S	C	.	.			trans	-84.5	73.7	174.3	-69.6	-39.3	0	0	0	109.9	K356 T417	K356-D419 WeakPolarHBondContact CD-OD1 3.4Å; K356-D419 WeakPolarHBondContact CE-OD1 3.48Å; K356-D419 IonicContact NZ-OD1 2.68Å; K356-D419 PolarHBondContact NZ-OD1 3.37Å; T417-D419 PolarHBondContact OG1-N 2.68Å
420	F	95.5	Very high	95.9	Very high	12 Å²	12	29.5 Å²	29.5	5%	0.053	15%	0.147	C	C	.	.			trans	-145.8	120.4	-175.6	-170.1	-95.4	0	0	0	111.3	F99 F104 L132 M135 K249 V251 V256 V418 T422	F99-F420 HydrophobicContact CD1-CE2 4.2Å; F99-F420 HydrophobicContact CD1-CZ 4.22Å; F99-F420 HydrophobicContact CE1-CE2 4.25Å; F99-F420 AromaticContact CE1-CZ 3.85Å; F99-F420 HydrophobicContact CE1-CZ 3.85Å; F104-F420 HydrophobicContact CD2-CD2 4.3Å; F104-F420 HydrophobicContact CD2-CE2 4.47Å; F104-F420 HydrophobicContact CE2-CD2 4.17Å; L132-F420 HydrophobicContact CD2-CE1 3.88Å; L132-F420 HydrophobicContact CD2-CZ 3.79Å; M135-F420 HydrophobicContact CE-CE1 3.78Å; M135-F420 HydrophobicContact CE-CZ 3.5Å; M135-F420 VanDerWaalsContact CE-CZ 3.5Å; M135-F420 HydrophobicContact SD-CE1 3.67Å; M135-F420 HydrophobicContact SD-CZ 3.9Å; K249-F420 HydrophobicContact CB-CD1 4.29Å; K249-F420 HydrophobicContact CD-CD1 3.96Å; K249-F420 HydrophobicContact CD-CE1 4.07Å; K249-F420 HydrophobicContact CG-CD1 4.35Å; V251-F420 HydrophobicContact CG1-CB 4.36Å; V251-F420 HydrophobicContact CG1-CD1 3.71Å; V251-F420 HydrophobicContact CG1-CD2 4.12Å; V251-F420 HydrophobicContact CG1-CE1 3.93Å; V251-F420 HydrophobicContact CG1-CE2 4.34Å; V251-F420 HydrophobicContact CG1-CG 3.79Å; V251-F420 HydrophobicContact CG1-CZ 4.24Å; V251-F420 HydrophobicContact CG2-CB 4.03Å; V251-F420 HydrophobicContact CG2-CD2 3.83Å; V251-F420 HydrophobicContact CG2-CE2 4.48Å; V251-F420 HydrophobicContact CG2-CG 3.93Å; V256-F420 HydrophobicContact CG1-CE2 4.06Å; V256-F420 HydrophobicContact CG2-CE2 4.47Å; V418-F420 VanDerWaalsContact C-N 3.29Å; V418-F420 PolarHBondContact O-N 2.93Å; V418-F420 VanDerWaalsContact O-N 3.11Å; F420-T422 HydrophobicContact CD1-CG2 4.41Å
421	N	96.7	Very high	95.9	Very high	86 Å²	86	29.2 Å²	29.2	46%	0.46	15%	0.146	S	C	.	.			trans	-84.5	132.1	172.6	-169.4	-14.7	0	0	0	110	Q102 F423	Q102-N421 PolarHBondContact NE2-O 3.41Å; N421-F423 HydrophobicContact CB-CD2 4.4Å; N421-F423 HydrophobicContact CB-CE2 4.26Å; N421-F423 HydrophobicContact CB-CZ 4.41Å; N421-F423 PolarHBondContact OD1-N 2.86Å
422	T	97	Very high	96.1	Very high	10 Å²	10	24.4 Å²	24.4	6%	0.061	13%	0.125	C	C	.	.			trans	-91.3	-3.4	-179.5	67	0	0	0	0	113.9	I131 M135 P246 K249 F420 S424 R427	I131-T422 HydrophobicContact CG2-CG2 3.97Å; M135-T422 WeakPolarHBondContact CG-O 3.41Å; P246-T422 HydrophobicContact CG-CG2 4.47Å; K249-T422 HydrophobicContact CB-CG2 3.65Å; K249-T422 HydrophobicContact CD-CG2 3.72Å; K249-T422 HydrophobicContact CG-CG2 4.33Å; F420-T422 HydrophobicContact CD1-CG2 4.41Å; T422-S424 PolarHBondContact O-N 3.49Å; T422-R427 WeakPolarHBondContact O-CD 3.33Å
423	F	97.4	Very high	96.2	Very high	39 Å²	39	24 Å²	24	17%	0.171	12%	0.123	C	C	.	.			trans	46.6	55.7	176.1	-65.3	-78.3	0	0	0	113.8	L98 Q102 M135 N421 D425 C426 R427	L98-F423 HydrophobicContact CB-CD2 3.87Å; L98-F423 HydrophobicContact CB-CE2 3.82Å; L98-F423 HydrophobicContact CD1-CB 3.84Å; L98-F423 HydrophobicContact CD1-CD2 3.89Å; L98-F423 HydrophobicContact CD1-CG 3.99Å; L98-F423 HydrophobicContact CD2-CD1 4.14Å; L98-F423 HydrophobicContact CD2-CD2 3.99Å; L98-F423 HydrophobicContact CD2-CE1 4.24Å; L98-F423 HydrophobicContact CD2-CE2 4.01Å; L98-F423 HydrophobicContact CD2-CG 4.02Å; L98-F423 HydrophobicContact CD2-CZ 4.16Å; L98-F423 HydrophobicContact CG-CD2 4.12Å; L98-F423 HydrophobicContact CG-CE2 4.34Å; L98-F423 HydrophobicContact CG-CG 4.44Å; L98-F423 WeakPolarHBondContact O-CE2 3.45Å; Q102-F423 VanDerWaalsContact CD-CE2 3.5Å; Q102-F423 HydrophobicContact CG-CE2 3.84Å; Q102-F423 HydrophobicContact CG-CZ 3.93Å; M135-F423 HydrophobicContact CE-CD2 3.85Å; M135-F423 HydrophobicContact CE-CE2 4.48Å; N421-F423 HydrophobicContact CB-CD2 4.4Å; N421-F423 HydrophobicContact CB-CE2 4.26Å; N421-F423 HydrophobicContact CB-CZ 4.41Å; N421-F423 PolarHBondContact OD1-N 2.86Å; F423-D425 PolarHBondContact O-N 3.1Å; F423-C426 HydrophobicContact CB-CB 4.07Å; F423-C426 WeakPolarHBondContact O-CB 3.39Å; F423-C426 PolarHBondContact O-N 2.76Å; F423-C426 VanDerWaalsContact O-N 3.1Å; F423-R427 PolarHBondContact O-N 3.18Å
424	S	97.2	Very high	96.3	Very high	8 Å²	8	22.2 Å²	22.2	6%	0.056	12%	0.115	C	C	.	.	H	α-helix	trans	-52.7	-39.2	-177.4	-65.8	0	0	0	0	113.1	T245 T422 C426 R427 L428	T245-S424 VanDerWaalsContact CG2-OG 3.26Å; T245-S424 WeakPolarHBondContact CG2-OG 3.43Å; T245-S424 PolarHBondContact OG1-OG 2.75Å; T245-S424 VanDerWaalsContact OG1-OG 3.14Å; T422-S424 PolarHBondContact O-N 3.49Å; S424-C426 PolarHBondContact O-N 2.69Å; S424-R427 CarbonylContact O-C 3.59Å; S424-R427 WeakPolarHBondContact O-CB 3.05Å; S424-R427 PolarHBondContact O-N 2.91Å; S424-R427 VanDerWaalsContact O-N 3.16Å; S424-L428 WeakPolarHBondContact O-CG 3.09Å; S424-L428 PolarHBondContact O-N 3.13Å
425	D	97.5	Very high	96.4	Very high	43 Å²	43	21.7 Å²	21.7	23%	0.23	11%	0.112	C	C	.	.	H	α-helix	trans	-67.5	-36.8	-179.7	-54.1	-66.8	0	0	0	113.1	Y158 P167 L169 F423 R427 L428 C429	Y158-D425 PolarHBondContact OH-OD1 2.89Å; P167-D425 HydrophobicContact CB-CB 3.64Å; P167-D425 VanDerWaalsContact CB-CG 3.49Å; P167-D425 HydrophobicContact CG-CB 3.92Å; L169-D425 HydrophobicContact CD2-CB 3.81Å; F423-D425 PolarHBondContact O-N 3.1Å; D425-R427 VanDerWaalsContact C-N 3.29Å; D425-R427 PolarHBondContact O-N 3.13Å; D425-L428 WeakPolarHBondContact O-CB 3.3Å; D425-L428 PolarHBondContact O-N 2.88Å; D425-C429 PolarHBondContact O-N 2.85Å
426	C	98.5	Very high	96.2	Very high	12 Å²	12	20.6 Å²	20.6	8%	0.081	11%	0.11	C	C	.	.	H	α-helix	trans	-61.5	-40.5	171.5	-64.6	0	0	0	0	111.4	L98 C172 F423 S424 L428 C429 M430	L98-C426 HydrophobicContact CD1-CB 3.98Å; C172-C426 VanDerWaalsContact CA-SG 3.57Å; C172-C426 HydrophobicContact CB-CB 3.61Å; C172-C426 WeakPolarHBondContact CB-SG 3.41Å; C172-C426 WeakPolarHBondContact SG-CA 3.32Å; C172-C426 WeakPolarHBondContact SG-CB 3.22Å; C172-C426 CovalentContact SG-SG 2.03Å; C172-C426 PolarHBondContact SG-SG 2.99Å; F423-C426 HydrophobicContact CB-CB 4.07Å; F423-C426 WeakPolarHBondContact O-CB 3.39Å; F423-C426 PolarHBondContact O-N 2.76Å; F423-C426 VanDerWaalsContact O-N 3.1Å; S424-C426 PolarHBondContact O-N 2.69Å; C426-L428 VanDerWaalsContact C-N 3.35Å; C426-C429 PolarHBondContact O-N 2.66Å; C426-M430 PolarHBondContact O-N 2.85Å
427	R	98.4	Very high	96	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-70.8	-31.5	178.6	-64	160.7	58.8	-153.2	-1.3	111.9	Q134 M135 I243 V244 T422 F423 S424 D425 M430 L431	Q134-R427 HydrophobicContact CB-CB 4.44Å; Q134-R427 HydrophobicContact CB-CG 3.94Å; M135-R427 HydrophobicContact CG-CG 4.22Å; I243-R427 HydrophobicContact CD1-CB 4.17Å; I243-R427 HydrophobicContact CG2-CB 4.23Å; V244-R427 VanDerWaalsContact N-NH2 3.17Å; V244-R427 VanDerWaalsContact O-CZ 3.25Å; V244-R427 PolarHBondContact O-NH1 3.28Å; V244-R427 PolarHBondContact O-NH2 2.76Å; T422-R427 WeakPolarHBondContact O-CD 3.33Å; F423-R427 PolarHBondContact O-N 3.18Å; S424-R427 CarbonylContact O-C 3.59Å; S424-R427 WeakPolarHBondContact O-CB 3.05Å; S424-R427 PolarHBondContact O-N 2.91Å; S424-R427 VanDerWaalsContact O-N 3.16Å; D425-R427 VanDerWaalsContact C-N 3.29Å; D425-R427 PolarHBondContact O-N 3.13Å; R427-M430 PolarHBondContact O-N 3.24Å; R427-L431 WeakPolarHBondContact O-CB 3.37Å; R427-L431 PolarHBondContact O-N 3.25Å
428	L	98.5	Very high	95.6	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-65.5	-40	170.5	-72.1	172.8	0	0	0	111.6	Y158 V193 L212 Y214 A235 I243 S424 D425 C426 L431 A432	Y158-L428 HydrophobicContact CE1-CD1 4.41Å; V193-L428 HydrophobicContact CG2-CD1 4.49Å; L212-L428 HydrophobicContact CD1-CD2 3.43Å; L212-L428 VanDerWaalsContact CD1-CD2 3.43Å; L212-L428 HydrophobicContact CD2-CD2 4.06Å; L212-L428 HydrophobicContact CG-CD2 4.42Å; Y214-L428 HydrophobicContact CD2-CD1 4.14Å; Y214-L428 HydrophobicContact CE2-CD1 4.33Å; A235-L428 HydrophobicContact CB-CD2 4.41Å; I243-L428 HydrophobicContact CG1-CD2 3.99Å; S424-L428 WeakPolarHBondContact O-CG 3.09Å; S424-L428 PolarHBondContact O-N 3.13Å; D425-L428 WeakPolarHBondContact O-CB 3.3Å; D425-L428 PolarHBondContact O-N 2.88Å; C426-L428 VanDerWaalsContact C-N 3.35Å; L428-L431 PolarHBondContact O-N 3Å; L428-A432 PolarHBondContact O-N 2.72Å
429	C	98.6	Very high	94.9	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-64.4	-44.5	173.5	-177.3	0	0	0	0	112.1	I156 L169 V174 C177 D425 C426 L431 A432 H433	I156-C429 HydrophobicContact CD1-CB 4.22Å; L169-C429 HydrophobicContact CD1-CB 4.02Å; V174-C429 PolarHBondContact O-SG 3.34Å; C177-C429 HydrophobicContact CB-CB 3.89Å; C177-C429 WeakPolarHBondContact CB-SG 3.42Å; C177-C429 WeakPolarHBondContact SG-CA 3.42Å; C177-C429 WeakPolarHBondContact SG-CB 3.33Å; C177-C429 CovalentContact SG-SG 2.04Å; C177-C429 PolarHBondContact SG-SG 2.8Å; D425-C429 PolarHBondContact O-N 2.85Å; C426-C429 PolarHBondContact O-N 2.66Å; C429-L431 VanDerWaalsContact C-N 3.33Å; C429-L431 PolarHBondContact O-N 3.08Å; C429-A432 WeakPolarHBondContact O-CB 2.89Å; C429-A432 PolarHBondContact O-N 2.82Å; C429-A432 VanDerWaalsContact O-N 3.16Å; C429-H433 PolarHBondContact O-CD2 2.84Å; C429-H433 PolarHBondContact O-N 3.44Å
430	M	98	Very high	94.3	Very high	3 Å²	3	30.6 Å²	30.6	2%	0.015	15%	0.148	C	C	.	.	H	α-helix	trans	-57.6	-45	172.1	179.5	-77.6	-61.5	0	0	111.7	L117 F118 Q134 Y137 P139 V174 C426 R427 A432 H433 E434	L117-M430 HydrophobicContact CD1-SD 4.25Å; F118-M430 HydrophobicContact CE1-CE 4.19Å; F118-M430 HydrophobicContact CZ-CE 4.14Å; F118-M430 HydrophobicContact CZ-SD 4.16Å; Q134-M430 HydrophobicContact CB-CE 3.78Å; Q134-M430 HydrophobicContact CG-CE 3.82Å; Y137-M430 HydrophobicContact CD1-CG 4.23Å; Y137-M430 HydrophobicContact CD1-SD 4.18Å; P139-M430 HydrophobicContact CG-CG 4.32Å; V174-M430 HydrophobicContact CG2-CB 4.31Å; C426-M430 PolarHBondContact O-N 2.85Å; R427-M430 PolarHBondContact O-N 3.24Å; M430-A432 VanDerWaalsContact C-N 3.35Å; M430-A432 PolarHBondContact O-N 3.3Å; M430-H433 PolarHBondContact O-N 3.38Å; M430-E434 PolarHBondContact O-N 3.49Å; M430-E434 HydrophobicContact SD-CB 4.43Å; M430-E434 HydrophobicContact SD-CG 3.58Å; M430-E434 VanDerWaalsContact SD-CG 3.58Å
431	L	97.3	Very high	93.7	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-59	-43.9	174.8	171.3	64	0	0	0	111.8	F118 L212 F233 T242 I243 R427 L428 C429 H433 E434 I435 M438	F118-L431 HydrophobicContact CD1-CD1 4.47Å; F118-L431 HydrophobicContact CE1-CB 4.43Å; F118-L431 HydrophobicContact CE1-CD1 3.69Å; F118-L431 HydrophobicContact CE2-CD1 4.31Å; F118-L431 HydrophobicContact CZ-CB 4.44Å; F118-L431 HydrophobicContact CZ-CD1 3.6Å; L212-L431 HydrophobicContact CD1-CD2 3.8Å; F233-L431 HydrophobicContact CB-CD2 4.21Å; F233-L431 HydrophobicContact CD1-CD1 4.44Å; F233-L431 HydrophobicContact CD2-CD2 4.28Å; F233-L431 HydrophobicContact CE1-CD1 4.41Å; F233-L431 HydrophobicContact CG-CD2 4.15Å; F233-L431 HydrophobicContact CZ-CD1 4.47Å; T242-L431 HydrophobicContact CG2-CD1 3.96Å; T242-L431 HydrophobicContact CG2-CD2 3.92Å; I243-L431 HydrophobicContact CD1-CB 4.27Å; I243-L431 HydrophobicContact CD1-CD2 4.29Å; I243-L431 HydrophobicContact CG1-CD2 4Å; R427-L431 WeakPolarHBondContact O-CB 3.37Å; R427-L431 PolarHBondContact O-N 3.25Å; L428-L431 PolarHBondContact O-N 3Å; C429-L431 VanDerWaalsContact C-N 3.33Å; C429-L431 PolarHBondContact O-N 3.08Å; L431-H433 PolarHBondContact O-N 3.45Å; L431-E434 PolarHBondContact O-N 2.89Å; L431-I435 HydrophobicContact CD1-CG1 4.24Å; L431-I435 HydrophobicContact CG-CD1 4.44Å; L431-I435 HydrophobicContact CG-CG1 4.5Å; L431-I435 WeakPolarHBondContact O-CG1 3.45Å; L431-I435 PolarHBondContact O-N 2.65Å; L431-M438 HydrophobicContact CD1-CE 4.11Å
432	A	97.7	Very high	93.2	Very high	1 Å²	1	30.7 Å²	30.7	1%	0.008	16%	0.155	C	C	.	.	H	α-helix	trans	-56.7	-35.8	179.4	0	0	0	0	0	112.1	K154 I156 L191 L428 C429 M430	K154-A432 HydrophobicContact CB-CB 4.14Å; K154-A432 WeakPolarHBondContact CE-O 3.44Å; K154-A432 HydrophobicContact CG-CB 4.4Å; I156-A432 HydrophobicContact CD1-CB 4.22Å; I156-A432 HydrophobicContact CG1-CB 4.26Å; L191-A432 HydrophobicContact CB-CB 4.4Å; L191-A432 HydrophobicContact CD2-CB 4.32Å; L428-A432 PolarHBondContact O-N 2.72Å; C429-A432 WeakPolarHBondContact O-CB 2.89Å; C429-A432 PolarHBondContact O-N 2.82Å; C429-A432 VanDerWaalsContact O-N 3.16Å; M430-A432 VanDerWaalsContact C-N 3.35Å; M430-A432 PolarHBondContact O-N 3.3Å
433	H	97	Very high	92.9	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-74.8	-39.7	172.9	-79.4	-79.3	0	0	0	113.2	P139 Q141 V142 L152 K154 V174 E176 C429 M430 L431 I435 D436	P139-H433 HydrophobicContact CB-CB 4.49Å; P139-H433 HydrophobicContact CG-CB 3.99Å; Q141-H433 PolarHBondContact NE2-O 2.97Å; V142-H433 HydrophobicContact CG2-CB 4.25Å; V142-H433 WeakPolarHBondContact CG2-ND1 3.31Å; L152-H433 PolarHBondContact O-CE1 3.33Å; K154-H433 VanDerWaalsContact CG-CE1 3.49Å; K154-H433 WeakPolarHBondContact CG-CE1 3.49Å; V174-H433 VanDerWaalsContact CG1-CD2 3.46Å; V174-H433 WeakPolarHBondContact CG1-CD2 3.29Å; E176-H433 PolarHBondContact O-NE2 2.78Å; E176-H433 VanDerWaalsContact O-NE2 3.07Å; C429-H433 PolarHBondContact O-CD2 2.84Å; C429-H433 PolarHBondContact O-N 3.44Å; M430-H433 PolarHBondContact O-N 3.38Å; L431-H433 PolarHBondContact O-N 3.45Å; H433-I435 VanDerWaalsContact C-N 3.28Å; H433-I435 PolarHBondContact O-N 2.76Å; H433-D436 PolarHBondContact O-N 3.01Å
434	E	94.2	Very high	92.7	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-69.4	-20.5	178.9	-79.8	-64.9	98	0	0	114.1	R89 L117 F118 Y137 P139 M430 L431 D436 N437 M438	R89-E434 IonicContact CZ-OE2 3.2Å; R89-E434 IonicContact NE-OE2 3.01Å; R89-E434 PolarHBondContact NE-OE2 2.9Å; R89-E434 IonicContact NH2-OE2 3.29Å; R89-E434 PolarHBondContact NH2-OE2 2.92Å; L117-E434 HydrophobicContact CD1-CG 4.44Å; F118-E434 HydrophobicContact CE2-CB 3.89Å; F118-E434 HydrophobicContact CE2-CG 4.17Å; F118-E434 HydrophobicContact CZ-CB 3.96Å; F118-E434 HydrophobicContact CZ-CG 4.19Å; Y137-E434 HydrophobicContact CE1-CG 4.44Å; P139-E434 WeakPolarHBondContact CB-OE1 3.48Å; P139-E434 HydrophobicContact CG-CG 4.14Å; M430-E434 PolarHBondContact O-N 3.49Å; M430-E434 HydrophobicContact SD-CB 4.43Å; M430-E434 HydrophobicContact SD-CG 3.58Å; M430-E434 VanDerWaalsContact SD-CG 3.58Å; L431-E434 PolarHBondContact O-N 2.89Å; E434-D436 PolarHBondContact O-N 2.95Å; E434-N437 WeakPolarHBondContact O-CA 3.34Å; E434-N437 VanDerWaalsContact O-CB 3.31Å; E434-N437 WeakPolarHBondContact O-CB 3.33Å; E434-N437 PolarHBondContact O-N 2.75Å; E434-N437 PolarHBondContact OE1-ND2 3.18Å; E434-M438 PolarHBondContact O-N 2.98Å
435	I	93.2	Very high	92.5	Very high	28 Å²	28	37.2 Å²	37.2	14%	0.144	18%	0.18	C	C	.	.	G	3₁₀ helix	trans	-57.2	-39.2	175.5	-72.5	164.9	0	0	0	111.2	L191 F233 L431 H433 N437 M438	L191-I435 HydrophobicContact CD1-CD1 4.19Å; F233-I435 HydrophobicContact CD2-CD1 4.13Å; F233-I435 HydrophobicContact CD2-CG1 4.47Å; F233-I435 HydrophobicContact CE2-CD1 3.5Å; F233-I435 VanDerWaalsContact CE2-CD1 3.5Å; F233-I435 HydrophobicContact CE2-CG1 3.5Å; F233-I435 HydrophobicContact CZ-CD1 4.3Å; F233-I435 HydrophobicContact CZ-CG1 3.8Å; L431-I435 HydrophobicContact CD1-CG1 4.24Å; L431-I435 HydrophobicContact CG-CD1 4.44Å; L431-I435 HydrophobicContact CG-CG1 4.5Å; L431-I435 WeakPolarHBondContact O-CG1 3.45Å; L431-I435 PolarHBondContact O-N 2.65Å; H433-I435 VanDerWaalsContact C-N 3.28Å; H433-I435 PolarHBondContact O-N 2.76Å; I435-N437 PolarHBondContact O-N 3.2Å; I435-M438 HydrophobicContact CG1-CE 4.44Å; I435-M438 WeakPolarHBondContact O-CB 3.37Å; I435-M438 PolarHBondContact O-N 3.01Å; I435-M438 VanDerWaalsContact O-N 3.15Å
436	D	90	Very high	92.3	Very high	93 Å²	93	36.6 Å²	36.6	50%	0.497	18%	0.177	S	C	.	.	G	3₁₀ helix	trans	-67.3	-19.2	178.5	-63.9	-6.1	0	0	0	112.3	K154 H433 E434	K154-D436 WeakPolarHBondContact CE-OD2 3.4Å; K154-D436 IonicContact NZ-OD1 2.71Å; K154-D436 PolarHBondContact NZ-OD1 3.14Å; K154-D436 IonicContact NZ-OD2 2.76Å; K154-D436 PolarHBondContact NZ-OD2 2.68Å; H433-D436 PolarHBondContact O-N 3.01Å; E434-D436 PolarHBondContact O-N 2.95Å
437	N	89.4	Confident	92.1	Very high	21 Å²	21	36.1 Å²	36.1	11%	0.112	17%	0.174	C	C	.	.	G	3₁₀ helix	trans	-90.3	-2.9	179.1	-73.1	-25.2	0	0	0	112.8	N86 Q141 E434 I435	N86-N437 HydrophobicContact CB-CB 3.69Å; N86-N437 WeakPolarHBondContact CB-O 3.28Å; N86-N437 PolarHBondContact N-O 3.01Å; N86-N437 VanDerWaalsContact ND2-CG 3.26Å; N86-N437 PolarHBondContact ND2-OD1 3Å; Q141-N437 VanDerWaalsContact CD-ND2 3.32Å; Q141-N437 PolarHBondContact NE2-ND2 2.87Å; Q141-N437 PolarHBondContact OE1-ND2 3.09Å; E434-N437 WeakPolarHBondContact O-CA 3.34Å; E434-N437 VanDerWaalsContact O-CB 3.31Å; E434-N437 WeakPolarHBondContact O-CB 3.33Å; E434-N437 PolarHBondContact O-N 2.75Å; E434-N437 PolarHBondContact OE1-ND2 3.18Å; I435-N437 PolarHBondContact O-N 3.2Å
438	M	86.9	Confident	91.8	Very high	29 Å²	29	37.8 Å²	37.8	14%	0.143	18%	0.182	C	C	.	.	B	Isolated β-bridge	trans	-83.3	120.9	176.8	-59.7	-174.4	-172.7	0	0	110.1	F118 F120 F233 L431 E434 I435 R440	F118-M438 HydrophobicContact CD2-CE 4.25Å; F118-M438 HydrophobicContact CE2-CE 4.09Å; F120-M438 HydrophobicContact CZ-CE 3.86Å; F120-M438 HydrophobicContact CZ-SD 4.37Å; F233-M438 HydrophobicContact CE1-CE 3.69Å; F233-M438 HydrophobicContact CE1-SD 3.9Å; F233-M438 HydrophobicContact CZ-CE 3.68Å; F233-M438 HydrophobicContact CZ-SD 3.66Å; L431-M438 HydrophobicContact CD1-CE 4.11Å; E434-M438 PolarHBondContact O-N 2.98Å; I435-M438 HydrophobicContact CG1-CE 4.44Å; I435-M438 WeakPolarHBondContact O-CB 3.37Å; I435-M438 PolarHBondContact O-N 3.01Å; I435-M438 VanDerWaalsContact O-N 3.15Å; M438-R440 PolarHBondContact O-N 2.86Å
439	E	80.3	Confident	91.6	Very high	113 Å²	113	43.8 Å²	43.8	53%	0.528	21%	0.21	S	C	.	.	S	Bend	trans	-65.5	-23.4	179	-68.3	-171.7	-177.2	0	0	113	I84	I84-E439 HydrophobicContact CB-CB 4.42Å; I84-E439 HydrophobicContact CB-CG 4.33Å; I84-E439 VanDerWaalsContact CB-OE2 3.23Å; I84-E439 WeakPolarHBondContact CB-OE2 3.39Å; I84-E439 HydrophobicContact CG2-CG 4.37Å; I84-E439 WeakPolarHBondContact CG2-OE1 3.41Å; I84-E439 VanDerWaalsContact CG2-OE2 3.27Å; I84-E439 WeakPolarHBondContact CG2-OE2 3.23Å; I84-E439 WeakPolarHBondContact O-CB 3Å; I84-E439 WeakPolarHBondContact O-CG 3.34Å; I84-E439 PolarHBondContact O-N 3.5Å
440	R	81.5	Confident	91.3	Very high	144 Å²	144	44 Å²	44	54%	0.543	21%	0.212	S	C	.	.	S	Bend	trans	-134.3	140.7	-177.9	-63.4	-178.4	179.3	-175.4	-1.2	110.1	M438 Y442	M438-R440 PolarHBondContact O-N 2.86Å; R440-Y442 PolarHBondContact O-N 3.27Å
441	S	82.4	Confident	91	Very high	86 Å²	86	44.6 Å²	44.6	60%	0.601	21%	0.213	S	C	*	.			trans	-59.4	131.5	170.3	-56.4	0	0	0	0	110.7
442	Y	86	Confident	90.8	Very high	14 Å²	14	47.4 Å²	47.4	6%	0.055	23%	0.227	C	C	.	.			trans	-112.8	134.7	179.7	176.1	-96.2	0	0	0	110	V83 F120 N232 F233 R440 Y444	V83-Y442 HydrophobicContact CG2-CD2 3.73Å; V83-Y442 HydrophobicContact CG2-CG 4.45Å; F120-Y442 HydrophobicContact CB-CE2 3.95Å; F120-Y442 HydrophobicContact CD1-CD1 4.23Å; F120-Y442 HydrophobicContact CD1-CD2 4.11Å; F120-Y442 AromaticContact CD1-CE1 3.79Å; F120-Y442 HydrophobicContact CD1-CE1 3.79Å; F120-Y442 AromaticContact CD1-CE2 3.65Å; F120-Y442 HydrophobicContact CD1-CE2 3.65Å; F120-Y442 HydrophobicContact CD1-CG 4.38Å; F120-Y442 AromaticContact CD1-CZ 3.47Å; F120-Y442 VanDerWaalsContact CD1-CZ 3.47Å; F120-Y442 HydrophobicContact CE1-CD1 4.03Å; F120-Y442 HydrophobicContact CE1-CD2 4.48Å; F120-Y442 AromaticContact CE1-CE1 3.9Å; F120-Y442 HydrophobicContact CE1-CE1 3.9Å; F120-Y442 HydrophobicContact CE1-CE2 4.36Å; F120-Y442 HydrophobicContact CE1-CG 4.32Å; F120-Y442 HydrophobicContact CG-CD2 4.31Å; F120-Y442 AromaticContact CG-CE2 3.92Å; F120-Y442 HydrophobicContact CG-CE2 3.92Å; N232-Y442 WeakPolarHBondContact CA-O 3.25Å; N232-Y442 WeakPolarHBondContact CB-O 2.74Å; N232-Y442 PolarHBondContact ND2-O 3.24Å; N232-Y442 WeakPolarHBondContact O-CD1 3.47Å; N232-Y442 WeakPolarHBondContact O-CE1 3.29Å; F233-Y442 AromaticContact CD1-CD1 3.81Å; F233-Y442 HydrophobicContact CD1-CD1 3.81Å; F233-Y442 HydrophobicContact CD1-CE1 4.17Å; F233-Y442 AromaticContact CE1-CD1 3.6Å; F233-Y442 HydrophobicContact CE1-CD1 3.6Å; F233-Y442 HydrophobicContact CE1-CE1 4.36Å; F233-Y442 HydrophobicContact CE1-CG 4.36Å; R440-Y442 PolarHBondContact O-N 3.27Å; Y442-Y444 HydrophobicContact CE1-CD2 4.44Å; Y442-Y444 AromaticContact CE1-CE2 3.94Å; Y442-Y444 HydrophobicContact CE1-CE2 3.94Å
443	W	91.6	Very high	90.6	Very high	82 Å²	82	48.5 Å²	48.5	31%	0.311	24%	0.235	S	C	.	.			trans	-156.5	160.3	174.2	66.2	88.4	0	0	0	112.5	I231	I231-W443 CarbonylContact O-C 3.54Å; I231-W443 WeakPolarHBondContact O-CA 3.29Å; I231-W443 WeakPolarHBondContact O-CB 3.42Å
444	Y	92.3	Very high	90.3	Very high	12 Å²	12	48.7 Å²	48.7	5%	0.047	24%	0.236	C	C	.	.			trans	-85.5	128.2	169.8	-68.8	-100.6	0	0	0	109.2	N229 I231 T234 Y442 D446 V447 W450	N229-Y444 WeakPolarHBondContact CA-O 3.26Å; N229-Y444 PolarHBondContact N-O 2.84Å; I231-Y444 PolarHBondContact O-N 3.14Å; T234-Y444 HydrophobicContact CG2-CD2 4.18Å; T234-Y444 HydrophobicContact CG2-CE1 4.17Å; T234-Y444 HydrophobicContact CG2-CE2 3.5Å; T234-Y444 VanDerWaalsContact CG2-CE2 3.5Å; T234-Y444 VanDerWaalsContact CG2-CZ 3.48Å; T234-Y444 PolarHBondContact OG1-OH 2.87Å; Y442-Y444 HydrophobicContact CE1-CD2 4.44Å; Y442-Y444 AromaticContact CE1-CE2 3.94Å; Y442-Y444 HydrophobicContact CE1-CE2 3.94Å; Y444-D446 VanDerWaalsContact C-N 3.33Å; Y444-V447 HydrophobicContact CD1-CG2 4.36Å; Y444-V447 HydrophobicContact CD2-CG2 4.47Å; Y444-V447 HydrophobicContact CG-CB 4.25Å; Y444-V447 HydrophobicContact CG-CG2 4.14Å; Y444-W450 HydrophobicContact CD1-CB 4.1Å; Y444-W450 HydrophobicContact CD1-CD2 4.25Å; Y444-W450 AromaticContact CD1-CG 3.98Å; Y444-W450 HydrophobicContact CD1-CG 3.98Å; Y444-W450 HydrophobicContact CE1-CB 4.34Å; Y444-W450 AromaticContact CE1-CD1 3.9Å; Y444-W450 AromaticContact CE1-CD2 3.68Å; Y444-W450 HydrophobicContact CE1-CD2 3.68Å; Y444-W450 AromaticContact CE1-CE2 3.91Å; Y444-W450 HydrophobicContact CE1-CE3 4.19Å; Y444-W450 AromaticContact CE1-CG 3.71Å; Y444-W450 HydrophobicContact CE1-CG 3.71Å; Y444-W450 AromaticContact CE1-NE1 3.97Å
445	E	93.3	Very high	90.2	Very high	100 Å²	100	49 Å²	49	47%	0.467	24%	0.238	S	C	.	.	S	Bend	trans	-63.2	-45	173	-63.3	-176.1	170.4	0	0	110.6	K228 N229	K228-E445 CarbonylContact C-O 3.56Å; K228-E445 VanDerWaalsContact CA-O 3.3Å; K228-E445 WeakPolarHBondContact CA-O 3.45Å; K228-E445 VanDerWaalsContact CB-O 3.23Å; K228-E445 WeakPolarHBondContact CB-O 3.47Å; N229-E445 PolarHBondContact N-O 3.27Å; N229-E445 WeakPolarHBondContact OD1-CA 3.3Å
446	D	93.9	Very high	90.1	Very high	31 Å²	31	51.6 Å²	51.6	17%	0.166	25%	0.25	C	C	.	.			trans	-140.9	95.6	175.1	-165	-32.7	0	0	0	109.5	K228 Y444 D448 Q449 W450	K228-D446 WeakPolarHBondContact CE-OD2 3.43Å; K228-D446 IonicContact NZ-OD2 2.65Å; K228-D446 PolarHBondContact NZ-OD2 2.88Å; Y444-D446 VanDerWaalsContact C-N 3.33Å; D446-D448 VanDerWaalsContact C-N 3.28Å; D446-D448 PolarHBondContact O-N 3.04Å; D446-D448 PolarHBondContact OD1-N 2.94Å; D446-Q449 HydrophobicContact CB-CB 3.83Å; D446-Q449 VanDerWaalsContact CG-CB 3.47Å; D446-Q449 WeakPolarHBondContact OD1-CB 3.27Å; D446-Q449 PolarHBondContact OD1-N 3.05Å; D446-W450 PolarHBondContact O-N 2.83Å; D446-W450 VanDerWaalsContact O-N 3.1Å
447	V	93.2	Very high	89.9	Confident	2 Å²	2	55.2 Å²	55.2	1%	0.012	27%	0.269	C	S	.	.	H	α-helix	trans	-69.5	-29.8	-179.9	73.7	0	0	0	0	111.5	I213 M226 I231 T234 Y444 W450 R451	I213-V447 HydrophobicContact CD1-CG2 3.49Å; I213-V447 VanDerWaalsContact CD1-CG2 3.49Å; I213-V447 HydrophobicContact CG1-CG2 4.13Å; M226-V447 HydrophobicContact CB-CG1 3.6Å; M226-V447 HydrophobicContact CG-CG1 4.17Å; I231-V447 HydrophobicContact CB-CB 4.18Å; I231-V447 HydrophobicContact CB-CG1 4.11Å; I231-V447 HydrophobicContact CB-CG2 4.46Å; I231-V447 HydrophobicContact CG1-CB 4.45Å; I231-V447 HydrophobicContact CG1-CG1 3.83Å; I231-V447 HydrophobicContact CG2-CB 4.37Å; I231-V447 HydrophobicContact CG2-CG1 4.49Å; I231-V447 HydrophobicContact CG2-CG2 4.11Å; T234-V447 HydrophobicContact CG2-CG2 3.87Å; Y444-V447 HydrophobicContact CD1-CG2 4.36Å; Y444-V447 HydrophobicContact CD2-CG2 4.47Å; Y444-V447 HydrophobicContact CG-CB 4.25Å; Y444-V447 HydrophobicContact CG-CG2 4.14Å; V447-W450 HydrophobicContact CG2-CE3 4.03Å; V447-W450 PolarHBondContact O-N 2.99Å; V447-R451 VanDerWaalsContact O-CG 3.28Å; V447-R451 WeakPolarHBondContact O-CG 3.47Å; V447-R451 PolarHBondContact O-N 3.11Å
448	D	92.5	Very high	89.7	Confident	34 Å²	34	56.4 Å²	56.4	18%	0.182	27%	0.272	C	S	.	.	H	α-helix	trans	-72.3	-41.4	-179.4	-67.9	-22.3	0	0	0	110.4	A225 M226 D446 R451 M452	A225-D448 VanDerWaalsContact CA-OD2 3.26Å; A225-D448 WeakPolarHBondContact CA-OD2 3.48Å; M226-D448 PolarHBondContact N-OD1 3.11Å; M226-D448 PolarHBondContact N-OD2 2.82Å; D446-D448 VanDerWaalsContact C-N 3.28Å; D446-D448 PolarHBondContact O-N 3.04Å; D446-D448 PolarHBondContact OD1-N 2.94Å; D448-R451 PolarHBondContact O-N 3.38Å; D448-M452 WeakPolarHBondContact O-CB 3.41Å; D448-M452 WeakPolarHBondContact O-CG 2.98Å; D448-M452 PolarHBondContact O-N 3.22Å
449	Q	93.5	Very high	89.6	Confident	126 Å²	126	62.8 Å²	62.8	59%	0.589	30%	0.299	S	S	*	.	H	α-helix	trans	-59.8	-46.6	169.9	-175.1	-171.8	-35.8	0	0	110.9	D446 R451 M452 S453	D446-Q449 HydrophobicContact CB-CB 3.83Å; D446-Q449 VanDerWaalsContact CG-CB 3.47Å; D446-Q449 WeakPolarHBondContact OD1-CB 3.27Å; D446-Q449 PolarHBondContact OD1-N 3.05Å; Q449-R451 VanDerWaalsContact C-N 3.29Å; Q449-R451 PolarHBondContact O-N 3.16Å; Q449-M452 PolarHBondContact O-N 2.78Å; Q449-S453 VanDerWaalsContact O-CB 3.31Å; Q449-S453 WeakPolarHBondContact O-CB 3.5Å; Q449-S453 PolarHBondContact O-N 3.15Å; Q449-S453 PolarHBondContact O-OG 2.76Å
450	W	93	Very high	90	Very high	6 Å²	6	63 Å²	63	2%	0.023	30%	0.298	C	S	.	.	H	α-helix	trans	-56	-44.4	176.6	168.9	82.6	0	0	0	111.3	R75 T77 T234 T236 A238 D240 Y444 D446 V447 S453	R75-W450 VanDerWaalsContact NH1-CE2 3.27Å; T77-W450 HydrophobicContact CG2-CB 4.45Å; T234-W450 HydrophobicContact CG2-CE3 3.98Å; T234-W450 HydrophobicContact CG2-CH2 3.87Å; T234-W450 HydrophobicContact CG2-CZ3 3.51Å; T236-W450 HydrophobicContact CG2-CH2 4.37Å; T236-W450 HydrophobicContact CG2-CZ3 4.38Å; A238-W450 HydrophobicContact CB-CH2 4.29Å; A238-W450 HydrophobicContact CB-CZ2 4.26Å; D240-W450 WeakPolarHBondContact OD1-CZ2 3.34Å; D240-W450 PolarHBondContact OD2-NE1 3.09Å; Y444-W450 HydrophobicContact CD1-CB 4.1Å; Y444-W450 HydrophobicContact CD1-CD2 4.25Å; Y444-W450 AromaticContact CD1-CG 3.98Å; Y444-W450 HydrophobicContact CD1-CG 3.98Å; Y444-W450 HydrophobicContact CE1-CB 4.34Å; Y444-W450 AromaticContact CE1-CD1 3.9Å; Y444-W450 AromaticContact CE1-CD2 3.68Å; Y444-W450 HydrophobicContact CE1-CD2 3.68Å; Y444-W450 AromaticContact CE1-CE2 3.91Å; Y444-W450 HydrophobicContact CE1-CE3 4.19Å; Y444-W450 AromaticContact CE1-CG 3.71Å; Y444-W450 HydrophobicContact CE1-CG 3.71Å; Y444-W450 AromaticContact CE1-NE1 3.97Å; D446-W450 PolarHBondContact O-N 2.83Å; D446-W450 VanDerWaalsContact O-N 3.1Å; V447-W450 HydrophobicContact CG2-CE3 4.03Å; V447-W450 PolarHBondContact O-N 2.99Å; W450-S453 PolarHBondContact O-OG 2.64Å
451	R	92.9	Very high	90.2	Very high	14 Å²	14	56.7 Å²	56.7	5%	0.053	28%	0.276	C	S	.	.	H	α-helix	trans	-64	-55.8	175.1	-68.7	169.2	78.8	-176.3	2.6	112.1	I213 H215 P219 V447 D448 Q449 S453 S454	I213-R451 HydrophobicContact CD1-CG 4.17Å; H215-R451 PolarHBondContact ND1-NH2 2.7Å; P219-R451 HydrophobicContact CB-CB 4.19Å; P219-R451 HydrophobicContact CG-CB 4.47Å; V447-R451 VanDerWaalsContact O-CG 3.28Å; V447-R451 WeakPolarHBondContact O-CG 3.47Å; V447-R451 PolarHBondContact O-N 3.11Å; D448-R451 PolarHBondContact O-N 3.38Å; Q449-R451 VanDerWaalsContact C-N 3.29Å; Q449-R451 PolarHBondContact O-N 3.16Å; R451-S453 VanDerWaalsContact C-N 3.27Å; R451-S453 PolarHBondContact O-N 3.22Å; R451-S454 VanDerWaalsContact O-CB 3.31Å; R451-S454 WeakPolarHBondContact O-CB 3.5Å; R451-S454 PolarHBondContact O-N 3.39Å; R451-S454 VanDerWaalsContact O-N 3.1Å; R451-S454 PolarHBondContact O-OG 3.07Å
452	M	92.2	Very high	90.4	Very high	59 Å²	59	56.5 Å²	56.5	29%	0.291	27%	0.272	S	S	.	.	H	α-helix	trans	-60.1	-37.6	-173.4	-76	-59.4	-62.2	0	0	112.4	P219 D448 Q449 S454 C455	P219-M452 HydrophobicContact CB-SD 3.76Å; P219-M452 HydrophobicContact CG-SD 4.34Å; D448-M452 WeakPolarHBondContact O-CB 3.41Å; D448-M452 WeakPolarHBondContact O-CG 2.98Å; D448-M452 PolarHBondContact O-N 3.22Å; Q449-M452 PolarHBondContact O-N 2.78Å; M452-S454 PolarHBondContact O-N 3.22Å; M452-S454 VanDerWaalsContact O-N 3.09Å; M452-C455 PolarHBondContact O-N 3.3Å
453	S	92.6	Very high	90.5	Very high	24 Å²	24	59 Å²	59	17%	0.168	29%	0.285	C	S	.	.	H	α-helix	trans	-57.5	-26.2	178.2	72.6	0	0	0	0	113.5	Q449 W450 R451 C455 E456	Q449-S453 VanDerWaalsContact O-CB 3.31Å; Q449-S453 WeakPolarHBondContact O-CB 3.5Å; Q449-S453 PolarHBondContact O-N 3.15Å; Q449-S453 PolarHBondContact O-OG 2.76Å; W450-S453 PolarHBondContact O-OG 2.64Å; R451-S453 VanDerWaalsContact C-N 3.27Å; R451-S453 PolarHBondContact O-N 3.22Å; S453-C455 PolarHBondContact O-N 2.85Å; S453-C455 VanDerWaalsContact O-N 3.13Å; S453-E456 PolarHBondContact O-N 3.22Å
454	S	91.6	Very high	90.5	Very high	4 Å²	4	57.9 Å²	57.9	3%	0.028	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-20.2	175.9	71	0	0	0	0	113.5	C342 Q343 R451 M452	C342-S454 CarbonylContact C-O 3.58Å; C342-S454 VanDerWaalsContact CA-O 3.31Å; C342-S454 WeakPolarHBondContact CA-O 3.47Å; Q343-S454 PolarHBondContact N-O 3.44Å; R451-S454 VanDerWaalsContact O-CB 3.31Å; R451-S454 WeakPolarHBondContact O-CB 3.5Å; R451-S454 PolarHBondContact O-N 3.39Å; R451-S454 VanDerWaalsContact O-N 3.1Å; R451-S454 PolarHBondContact O-OG 3.07Å; M452-S454 PolarHBondContact O-N 3.22Å; M452-S454 VanDerWaalsContact O-N 3.09Å
455	C	92.2	Very high	90.4	Very high	6 Å²	6	60.3 Å²	60.3	4%	0.041	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	-115	10	-178.4	-51.8	0	0	0	0	112.9	P219 R220 C342 M452 S453	P219-C455 WeakPolarHBondContact CG-SG 3.27Å; R220-C455 HydrophobicContact CG-CB 3.67Å; R220-C455 PolarHBondContact NH2-O 3.19Å; C342-C455 HydrophobicContact CB-CB 4.04Å; C342-C455 WeakPolarHBondContact CB-SG 3.27Å; C342-C455 WeakPolarHBondContact SG-CB 3.22Å; C342-C455 CovalentContact SG-SG 2.03Å; C342-C455 PolarHBondContact SG-SG 3.02Å; M452-C455 PolarHBondContact O-N 3.3Å; S453-C455 PolarHBondContact O-N 2.85Å; S453-C455 VanDerWaalsContact O-N 3.13Å
456	E	90.2	Very high	90.2	Very high	84 Å²	84	58.1 Å²	58.1	39%	0.393	29%	0.287	S	S	.	.	S	Bend	trans	-90.9	147.1	-179.6	-73.9	177.1	-179.1	0	0	111.4	S453 R458	S453-E456 PolarHBondContact O-N 3.22Å; E456-R458 PolarHBondContact O-N 3.14Å
457	N	85.7	Confident	90	Very high	168 Å²	168	59.6 Å²	59.6	90%	0.898	29%	0.294	S	S	*	.	S	Bend	trans	51.1	27	174.6	-56.4	-39.7	0	0	0	114.8
458	R	86.9	Confident	89.8	Confident	46 Å²	46	63.3 Å²	63.3	17%	0.174	31%	0.312	C	S	.	.	P	Polyproline II helix	trans	-76.8	130.3	177.2	-55.4	-58.2	-66.7	179.9	-6.3	109.6	I341 S367 D370 E456	I341-R458 HydrophobicContact CB-CB 4.35Å; I341-R458 HydrophobicContact CG2-CB 3.54Å; I341-R458 HydrophobicContact CG2-CG 4.29Å; I341-R458 WeakPolarHBondContact O-CG 3.49Å; S367-R458 VanDerWaalsContact CB-NH2 3.26Å; S367-R458 VanDerWaalsContact N-NH2 3.11Å; S367-R458 PolarHBondContact OG-NH2 2.81Å; D370-R458 IonicContact OD2-NH2 2.65Å; D370-R458 PolarHBondContact OD2-NH2 2.98Å; E456-R458 PolarHBondContact O-N 3.14Å
459	K	85.1	Confident	89.6	Confident	164 Å²	164	65.2 Å²	65.2	71%	0.713	32%	0.32	S	S	*	.	P	Polyproline II helix	trans	-66.8	131.7	176.7	-174.7	179.2	176.9	-173.1	0	109.5
460	F	87.2	Confident	89.3	Confident	116 Å²	116	60.9 Å²	60.9	51%	0.509	30%	0.301	S	S	.	.	P	Polyproline II helix	trans	-83.5	149	168.2	-66.5	-31.3	0	0	0	110.6	P291 I341	P291-F460 HydrophobicContact CG-CB 4.27Å; P291-F460 HydrophobicContact CG-CD1 4.14Å; P291-F460 HydrophobicContact CG-CG 4.17Å; I341-F460 HydrophobicContact CB-CE1 4.3Å; I341-F460 HydrophobicContact CG1-CD1 4Å; I341-F460 HydrophobicContact CG1-CE1 3.93Å
461	P	86.5	Confident	89	Confident	13 Å²	13	65.1 Å²	65.1	8%	0.084	32%	0.322	C	S	.	.	P	Polyproline II helix	trans	-64.6	151.3	177.4	29.2	-37.7	0	0	0	111.2	P291 Y295 M364 V383 D384 I463	P291-P461 HydrophobicContact CG-CG 4.2Å; Y295-P461 HydrophobicContact CD2-CB 4.02Å; Y295-P461 HydrophobicContact CD2-CG 3.78Å; Y295-P461 HydrophobicContact CE2-CB 3.83Å; Y295-P461 HydrophobicContact CE2-CG 4.12Å; M364-P461 HydrophobicContact CG-CG 3.94Å; M364-P461 HydrophobicContact SD-CG 3.59Å; M364-P461 VanDerWaalsContact SD-CG 3.59Å; V383-P461 HydrophobicContact CG2-CB 3.79Å; V383-P461 HydrophobicContact CG2-CG 4.27Å; D384-P461 WeakPolarHBondContact OD1-CB 3.23Å; P461-I463 PolarHBondContact O-N 3.07Å
462	T	86.9	Confident	88.7	Confident	82 Å²	82	69.3 Å²	69.3	50%	0.503	35%	0.345	S	S	.	.	P	Polyproline II helix	trans	-66.9	128.8	170	-51	0	0	0	0	109.3	Y295	Y295-T462 WeakPolarHBondContact CE2-O 3.33Å
463	I	87.5	Confident	88.4	Confident	66 Å²	66	70.3 Å²	70.3	34%	0.338	35%	0.35	S	S	.	.			trans	-107.3	0	177.8	-64	175.3	0	0	0	109.7	P291 Q294 Y295 E298 V389 P461	P291-I463 HydrophobicContact CB-CD1 4.07Å; Q294-I463 HydrophobicContact CB-CD1 3.86Å; Q294-I463 VanDerWaalsContact CD-CD1 3.48Å; Q294-I463 HydrophobicContact CG-CD1 3.68Å; Q294-I463 HydrophobicContact CG-CG2 4.23Å; Y295-I463 HydrophobicContact CD2-CD1 4.36Å; Y295-I463 HydrophobicContact CD2-CG1 3.69Å; Y295-I463 HydrophobicContact CE2-CG1 4.45Å; Y295-I463 HydrophobicContact CG-CG1 4.4Å; E298-I463 HydrophobicContact CB-CG2 3.77Å; E298-I463 HydrophobicContact CG-CG2 3.9Å; V389-I463 HydrophobicContact CG2-CG2 4.37Å; V389-I463 VanDerWaalsContact CG2-OXT 3.29Å; V389-I463 WeakPolarHBondContact CG2-OXT 3.38Å; P461-I463 PolarHBondContact O-N 3.07Å

Retrieved 463 of 463 residues in 163.4 ms (Link to these results)

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