A0A093JZN6_STRCA Loading...

adenosine deaminase

AlphaFold DB , UniProt , Accession A0A093JZN6, Species STRCA (Struthio camelus australis), Gene n/a, Length 515 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	39.6	Very low	42.4	Very low	248 Å²	248	151.5 Å²	151.5	100%	1.222	83%	0.827	S	S	*	*				0	112.4	0	-66	175.2	-151.8	0	0	108.5
2	R	33.6	Very low	42.5	Very low	244 Å²	244	146.3 Å²	146.3	92%	0.921	80%	0.804	S	S	*	*			trans	-132.6	132.3	166.5	-81.1	-175.3	179.7	-179.9	0.3	106.3
3	P	38.8	Very low	42.3	Very low	122 Å²	122	148.2 Å²	148.2	79%	0.792	79%	0.794	S	S	*	*			trans	-80.9	159	-179.6	33.4	-31.8	0	0	0	111.1
4	P	44.5	Very low	42.4	Very low	128 Å²	128	145.6 Å²	145.6	83%	0.831	78%	0.779	S	S	*	*			trans	-85.8	146.2	-170.9	33.9	-32.5	0	0	0	112.6	G6	P4-G6 PolarHBondContact O-N 3.39Å
5	S	48.2	Very low	42.4	Very low	128 Å²	128	143.4 Å²	143.4	90%	0.895	77%	0.766	S	S	*	*			trans	-71.9	109.3	172	50.1	0	0	0	0	111.2
6	G	43.1	Very low	42.4	Very low	73 Å²	73	142.9 Å²	142.9	75%	0.753	76%	0.763	S	S	*	*			trans	-152.5	64.6	176.4	0	0	0	0	0	111.9	P4	P4-G6 PolarHBondContact O-N 3.39Å
7	Q	45.6	Very low	42.5	Very low	184 Å²	184	141 Å²	141	86%	0.86	75%	0.753	S	S	*	*			trans	-129.2	-0.3	175.4	-84.5	-175.1	-13.5	0	0	115
8	G	41.7	Very low	42.6	Very low	67 Å²	67	138.6 Å²	138.6	69%	0.691	74%	0.739	S	S	*	*	S	Bend	trans	-80.9	-22.8	-177.8	0	0	0	0	0	116.2
9	I	44.5	Very low	42.8	Very low	134 Å²	134	135 Å²	135	69%	0.687	73%	0.731	S	S	*	*	S	Bend	trans	-100.4	-13.7	-168.1	-59.8	173.9	0	0	0	112.9
10	R	43.6	Very low	43.2	Very low	219 Å²	219	132.5 Å²	132.5	83%	0.826	72%	0.724	S	S	*	*	H	α-helix	trans	-81.4	-16.1	179.3	-81.4	-169.1	176	-163.7	-0.4	114.6
11	L	42.9	Very low	43.4	Very low	119 Å²	119	132.6 Å²	132.6	62%	0.623	72%	0.723	S	S	*	*	H	α-helix	trans	-82.1	-33.1	-175.9	-135.2	77.7	0	0	0	113	L14 L15	L11-L14 PolarHBondContact O-N 3.49Å; L11-L15 PolarHBondContact O-N 2.95Å
12	T	44.1	Very low	44.3	Very low	89 Å²	89	125.9 Å²	125.9	55%	0.546	70%	0.7	S	S	.	*	H	α-helix	trans	-73.1	-33.7	-179.7	5.4	0	0	0	0	112.9	L14 L16	T12-L14 VanDerWaalsContact C-N 3.31Å; T12-L16 PolarHBondContact O-N 3.46Å
13	Y	40	Very low	45.7	Very low	172 Å²	172	120.7 Å²	120.7	68%	0.675	69%	0.689	S	S	*	*	H	α-helix	trans	-73.4	-21.2	172.1	-84.2	-81.9	0	0	0	113.5	N17	Y13-N17 PolarHBondContact O-ND2 3.21Å
14	L	43.6	Very low	47.6	Very low	111 Å²	111	120.3 Å²	120.3	58%	0.581	69%	0.687	S	S	*	*	H	α-helix	trans	-79.8	-35.4	175.7	-139.4	82.6	0	0	0	111.8	L11 T12 N17 L18	L11-L14 PolarHBondContact O-N 3.49Å; T12-L14 VanDerWaalsContact C-N 3.31Å; L14-N17 PolarHBondContact O-N 3.34Å; L14-L18 PolarHBondContact O-N 3.3Å
15	L	41.8	Very low	49.6	Very low	113 Å²	113	121.1 Å²	121.1	59%	0.592	68%	0.682	S	S	*	*	H	α-helix	trans	-73.7	-33.6	-179.1	-74.5	164.4	0	0	0	113.3	L11 N17 L18	L11-L15 PolarHBondContact O-N 2.95Å; L15-N17 VanDerWaalsContact C-N 3.35Å; L15-L18 PolarHBondContact O-N 3.4Å
16	L	42.8	Very low	51.5	Low	135 Å²	135	118.7 Å²	118.7	71%	0.707	66%	0.664	S	S	*	*	H	α-helix	trans	-71.9	-26.1	174.7	-86.5	152.8	0	0	0	113.3	T12	T12-L16 PolarHBondContact O-N 3.46Å
17	N	44.2	Very low	53.9	Low	111 Å²	111	120 Å²	120	59%	0.594	65%	0.653	S	S	*	*	H	α-helix	trans	-79.8	-21.8	173.8	-84.1	-63.1	0	0	0	113.5	Y13 L14 L15 L21	Y13-N17 PolarHBondContact O-ND2 3.21Å; L14-N17 PolarHBondContact O-N 3.34Å; L15-N17 VanDerWaalsContact C-N 3.35Å; N17-L21 WeakPolarHBondContact O-CD1 3.48Å
18	L	44	Very low	56.2	Low	97 Å²	97	122.1 Å²	122.1	51%	0.508	65%	0.653	S	S	.	*	H	α-helix	trans	-79.4	-28.4	177.5	-78.6	161	0	0	0	113.1	L14 L15 S20 L21	L14-L18 PolarHBondContact O-N 3.3Å; L15-L18 PolarHBondContact O-N 3.4Å; L18-S20 VanDerWaalsContact C-N 3.33Å; L18-L21 HydrophobicContact CD2-CD1 4.19Å; L18-L21 PolarHBondContact O-N 3.41Å
19	A	47	Very low	58.7	Low	71 Å²	71	125.6 Å²	125.6	59%	0.587	65%	0.649	S	S	*	*	H	α-helix	trans	-70.3	-30.1	175	0	0	0	0	0	112.7	L21	A19-L21 VanDerWaalsContact C-N 3.29Å; A19-L21 PolarHBondContact O-N 3.48Å
20	S	50	Low	61	Low	85 Å²	85	121.9 Å²	121.9	59%	0.594	63%	0.631	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.6	-12.3	178.1	-148.9	0	0	0	0	113.6	L18 C22	L18-S20 VanDerWaalsContact C-N 3.33Å; S20-C22 VanDerWaalsContact C-N 3.32Å
21	L	49.1	Very low	63.5	Low	135 Å²	135	118.4 Å²	118.4	71%	0.707	62%	0.618	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.2	-2.7	176	-79.7	160	0	0	0	113.3	N17 L18 A19	N17-L21 WeakPolarHBondContact O-CD1 3.48Å; L18-L21 HydrophobicContact CD2-CD1 4.19Å; L18-L21 PolarHBondContact O-N 3.41Å; A19-L21 VanDerWaalsContact C-N 3.29Å; A19-L21 PolarHBondContact O-N 3.48Å
22	C	57.5	Low	66	Low	107 Å²	107	117.9 Å²	117.9	72%	0.723	62%	0.616	S	S	*	*	S	Bend	trans	-115.1	2.6	-177.3	-67.8	0	0	0	0	114.7	S20	S20-C22 VanDerWaalsContact C-N 3.32Å
23	L	62.2	Low	68.5	Low	135 Å²	135	116.9 Å²	116.9	71%	0.707	62%	0.616	S	S	*	*	S	Bend	trans	-76.8	124.7	169.3	-71.5	172.1	0	0	0	108.7	I25	L23-I25 PolarHBondContact O-N 3.36Å
24	P	79.4	Confident	71.1	Confident	113 Å²	113	112.2 Å²	112.2	73%	0.734	60%	0.603	S	S	*	*	P	Polyproline II helix	trans	-59.4	134.2	175	23.9	-30.4	0	0	0	109
25	I	86.3	Confident	73.6	Confident	145 Å²	145	110.5 Å²	110.5	74%	0.744	59%	0.593	S	S	*	*	P	Polyproline II helix	trans	-56.1	128.2	173.4	-61.3	171.9	0	0	0	107.5	L23 L27	L23-I25 PolarHBondContact O-N 3.36Å; I25-L27 PolarHBondContact O-N 2.79Å
26	P	88.8	Confident	76.1	Confident	77 Å²	77	111 Å²	111	50%	0.5	59%	0.592	S	S	.	*	P	Polyproline II helix	trans	-55.6	140.1	179.6	-24.2	32.3	0	0	0	111.9	D30 L34	P26-D30 HydrophobicContact CB-CB 4.35Å; P26-L34 HydrophobicContact CB-CD1 3.92Å; P26-L34 HydrophobicContact CG-CD1 4.44Å
27	L	93.1	Very high	78.6	Confident	102 Å²	102	109.4 Å²	109.4	53%	0.534	58%	0.581	S	S	.	*			trans	-109.2	170.9	177.4	-63.6	177.2	0	0	0	110.5	I25 K29 D30	I25-L27 PolarHBondContact O-N 2.79Å; L27-K29 HydrophobicContact CB-CG 4.22Å; L27-K29 PolarHBondContact O-N 3.49Å; L27-D30 PolarHBondContact N-OD2 2.85Å; L27-D30 WeakPolarHBondContact O-CB 3.43Å; L27-D30 PolarHBondContact O-N 3.28Å
28	W	93.2	Very high	81	Confident	228 Å²	228	109.8 Å²	109.8	86%	0.864	58%	0.579	S	S	*	*	G	3₁₀ helix	trans	-54	-29.6	-179.3	64.2	-93.3	0	0	0	114.1	D30 R31	W28-D30 PolarHBondContact O-N 2.99Å; W28-R31 VanDerWaalsContact O-CB 3.26Å; W28-R31 WeakPolarHBondContact O-CB 3.47Å; W28-R31 PolarHBondContact O-N 3.04Å
29	K	94	Very high	83.4	Confident	139 Å²	139	109.4 Å²	109.4	60%	0.604	57%	0.573	S	S	*	*	G	3₁₀ helix	trans	-68.8	-20.3	176.3	67.1	179.3	-175.3	176	0	113.6	L27 R31	L27-K29 HydrophobicContact CB-CG 4.22Å; L27-K29 PolarHBondContact O-N 3.49Å; K29-R31 VanDerWaalsContact C-N 3.34Å
30	D	94.6	Very high	85.7	Confident	57 Å²	57	107.5 Å²	107.5	31%	0.305	56%	0.557	S	S	.	*	G	3₁₀ helix	trans	-89.4	-5.5	-179.7	-51.6	-47.2	0	0	0	111.3	P26 L27 W28 D32 A33 L34	P26-D30 HydrophobicContact CB-CB 4.35Å; L27-D30 PolarHBondContact N-OD2 2.85Å; L27-D30 WeakPolarHBondContact O-CB 3.43Å; L27-D30 PolarHBondContact O-N 3.28Å; W28-D30 PolarHBondContact O-N 2.99Å; D30-D32 PolarHBondContact O-N 3.3Å; D30-A33 WeakPolarHBondContact O-CB 3.48Å; D30-A33 PolarHBondContact O-N 2.7Å; D30-A33 VanDerWaalsContact O-N 3.12Å; D30-L34 WeakPolarHBondContact O-CG 3.45Å; D30-L34 PolarHBondContact O-N 3.39Å
31	R	95.4	Very high	87.8	Confident	146 Å²	146	108.2 Å²	108.2	55%	0.551	55%	0.551	S	S	*	*	H	α-helix	trans	-51.4	-51.1	-177.2	-178.4	-173.2	178.7	-78	-4.2	112.1	W28 K29 A33 L34 M35	W28-R31 VanDerWaalsContact O-CB 3.26Å; W28-R31 WeakPolarHBondContact O-CB 3.47Å; W28-R31 PolarHBondContact O-N 3.04Å; K29-R31 VanDerWaalsContact C-N 3.34Å; R31-A33 VanDerWaalsContact C-N 3.29Å; R31-A33 PolarHBondContact O-N 3.05Å; R31-L34 PolarHBondContact O-N 3.25Å; R31-M35 HydrophobicContact CG-CG 4.31Å; R31-M35 VanDerWaalsContact O-CG 3.28Å; R31-M35 WeakPolarHBondContact O-CG 3.27Å; R31-M35 PolarHBondContact O-N 2.97Å
32	D	95.9	Very high	90.1	Very high	108 Å²	108	102.8 Å²	102.8	58%	0.578	52%	0.522	S	S	*	.	H	α-helix	trans	-67.8	-33	-175.2	-66.3	-17.5	0	0	0	111.7	D30 M35 Q36	D30-D32 PolarHBondContact O-N 3.3Å; D32-M35 PolarHBondContact O-N 2.79Å; D32-Q36 VanDerWaalsContact O-CG 3.27Å; D32-Q36 WeakPolarHBondContact O-CG 3.37Å; D32-Q36 PolarHBondContact O-N 3.1Å
33	A	95.6	Very high	92	Very high	67 Å²	67	98 Å²	98	55%	0.554	49%	0.489	S	S	*	.	H	α-helix	trans	-66	-44.1	173.8	0	0	0	0	0	111.5	D30 R31 Q36 E37	D30-A33 WeakPolarHBondContact O-CB 3.48Å; D30-A33 PolarHBondContact O-N 2.7Å; D30-A33 VanDerWaalsContact O-N 3.12Å; R31-A33 VanDerWaalsContact C-N 3.29Å; R31-A33 PolarHBondContact O-N 3.05Å; A33-Q36 PolarHBondContact O-N 3.3Å; A33-E37 PolarHBondContact O-N 3.09Å
34	L	95.5	Very high	93.7	Very high	75 Å²	75	91.8 Å²	91.8	39%	0.393	46%	0.459	S	S	.	.	H	α-helix	trans	-63.5	-41.3	175.6	-66.7	170.7	0	0	0	112	P26 D30 R31 Q36 E37 E38	P26-L34 HydrophobicContact CB-CD1 3.92Å; P26-L34 HydrophobicContact CG-CD1 4.44Å; D30-L34 WeakPolarHBondContact O-CG 3.45Å; D30-L34 PolarHBondContact O-N 3.39Å; R31-L34 PolarHBondContact O-N 3.25Å; L34-Q36 VanDerWaalsContact C-N 3.29Å; L34-Q36 PolarHBondContact O-N 3.29Å; L34-E37 WeakPolarHBondContact O-CB 3.32Å; L34-E37 PolarHBondContact O-N 3.4Å; L34-E37 VanDerWaalsContact O-N 3.17Å; L34-E38 PolarHBondContact O-N 3.43Å
35	M	95.2	Very high	94.5	Very high	75 Å²	75	87.2 Å²	87.2	37%	0.369	43%	0.432	S	S	.	.	H	α-helix	trans	-63.4	-35.3	174.8	-68	-62.1	-51.4	0	0	112.1	R31 D32 K39	R31-M35 HydrophobicContact CG-CG 4.31Å; R31-M35 VanDerWaalsContact O-CG 3.28Å; R31-M35 WeakPolarHBondContact O-CG 3.27Å; R31-M35 PolarHBondContact O-N 2.97Å; D32-M35 PolarHBondContact O-N 2.79Å; M35-K39 WeakPolarHBondContact O-CB 3.4Å; M35-K39 PolarHBondContact O-N 3.49Å; M35-K39 VanDerWaalsContact O-N 3.14Å
36	Q	94.1	Very high	95	Very high	122 Å²	122	86.5 Å²	86.5	57%	0.57	43%	0.429	S	S	*	.	H	α-helix	trans	-70.8	-35.3	173.4	-69.7	-62.6	-19.3	0	0	112.1	D32 A33 L34 K39 A40	D32-Q36 VanDerWaalsContact O-CG 3.27Å; D32-Q36 WeakPolarHBondContact O-CG 3.37Å; D32-Q36 PolarHBondContact O-N 3.1Å; A33-Q36 PolarHBondContact O-N 3.3Å; L34-Q36 VanDerWaalsContact C-N 3.29Å; L34-Q36 PolarHBondContact O-N 3.29Å; Q36-K39 PolarHBondContact O-N 3.04Å; Q36-A40 WeakPolarHBondContact O-CB 3.44Å; Q36-A40 PolarHBondContact O-N 3.13Å
37	E	94.9	Very high	95.4	Very high	102 Å²	102	84.9 Å²	84.9	48%	0.477	42%	0.417	S	S	.	.	H	α-helix	trans	-62.7	-46.1	174.3	-171.7	177.8	171.4	0	0	111.3	A33 L34 K39 A40 H41	A33-E37 PolarHBondContact O-N 3.09Å; L34-E37 WeakPolarHBondContact O-CB 3.32Å; L34-E37 PolarHBondContact O-N 3.4Å; L34-E37 VanDerWaalsContact O-N 3.17Å; E37-K39 VanDerWaalsContact C-N 3.32Å; E37-K39 PolarHBondContact O-N 2.99Å; E37-A40 PolarHBondContact O-N 3.02Å; E37-A40 VanDerWaalsContact O-N 3.13Å; E37-H41 PolarHBondContact O-N 2.99Å; E37-H41 IonicContact OE1-CE1 3.24Å
38	E	95.3	Very high	95.5	Very high	119 Å²	119	86.2 Å²	86.2	56%	0.556	43%	0.428	S	S	*	.	H	α-helix	trans	-56.7	-46.5	172.6	-72.4	-169.3	173.3	0	0	111.7	L34 A40 H41 Q42	L34-E38 PolarHBondContact O-N 3.43Å; E38-A40 VanDerWaalsContact C-N 3.27Å; E38-A40 PolarHBondContact O-N 3.17Å; E38-H41 PolarHBondContact O-N 3.4Å; E38-Q42 PolarHBondContact O-N 3.17Å; E38-Q42 VanDerWaalsContact O-N 3.11Å
39	K	93.9	Very high	95.7	Very high	90 Å²	90	76.1 Å²	76.1	39%	0.391	39%	0.392	S	S	.	.	H	α-helix	trans	-63.7	-31.5	178.3	-172.4	176.8	-178.6	175.8	0	112.8	M35 Q36 E37 Q42 G45	M35-K39 WeakPolarHBondContact O-CB 3.4Å; M35-K39 PolarHBondContact O-N 3.49Å; M35-K39 VanDerWaalsContact O-N 3.14Å; Q36-K39 PolarHBondContact O-N 3.04Å; E37-K39 VanDerWaalsContact C-N 3.32Å; E37-K39 PolarHBondContact O-N 2.99Å; K39-Q42 WeakPolarHBondContact O-CG 3.39Å; K39-G45 WeakPolarHBondContact O-CA 3.41Å
40	A	95.1	Very high	95.8	Very high	30 Å²	30	73.3 Å²	73.3	25%	0.248	38%	0.383	C	S	.	.	H	α-helix	trans	-76.5	-31.5	177.1	0	0	0	0	0	112.2	Q36 E37 E38 N46	Q36-A40 WeakPolarHBondContact O-CB 3.44Å; Q36-A40 PolarHBondContact O-N 3.13Å; E37-A40 PolarHBondContact O-N 3.02Å; E37-A40 VanDerWaalsContact O-N 3.13Å; E38-A40 VanDerWaalsContact C-N 3.27Å; E38-A40 PolarHBondContact O-N 3.17Å; A40-N46 PolarHBondContact O-ND2 3.48Å; A40-N46 PolarHBondContact O-OD1 3.4Å
41	H	95.3	Very high	95.9	Very high	101 Å²	101	78.5 Å²	78.5	47%	0.468	40%	0.403	S	S	.	.	H	α-helix	trans	-77.6	-31.6	-179.9	-72.1	176.1	0	0	0	113.6	E37 E38 A430 E431 G432	E37-H41 PolarHBondContact O-N 2.99Å; E37-H41 IonicContact OE1-CE1 3.24Å; E38-H41 PolarHBondContact O-N 3.4Å; H41-A430 CarbonylContact C-O 3.58Å; H41-E431 CarbonylContact O-C 3.6Å; H41-G432 WeakPolarHBondContact O-CA 3.45Å; H41-G432 PolarHBondContact O-N 3.07Å
42	Q	96.6	Very high	95.8	Very high	20 Å²	20	76.3 Å²	76.3	9%	0.093	40%	0.399	C	S	.	.	S	Bend	trans	-60.3	159.6	-177.8	77.1	-175.1	0.9	0	0	113	E38 K39 G44 G45 M429 A430 N465	E38-Q42 PolarHBondContact O-N 3.17Å; E38-Q42 VanDerWaalsContact O-N 3.11Å; K39-Q42 WeakPolarHBondContact O-CG 3.39Å; Q42-G44 PolarHBondContact O-N 3.32Å; Q42-G45 PolarHBondContact O-N 3.21Å; Q42-M429 CarbonylContact C-O 3.48Å; Q42-M429 WeakPolarHBondContact CA-O 3.44Å; Q42-A430 WeakPolarHBondContact CA-O 3.47Å; Q42-A430 PolarHBondContact N-O 3.41Å; Q42-N465 PolarHBondContact NE2-O 3.31Å
43	T	98.3	Very high	95.8	Very high	6 Å²	6	71.4 Å²	71.4	4%	0.037	37%	0.372	C	S	.	.	T	Hydrogen-bonded Turn	trans	-50.6	116.1	176.2	-64.1	0	0	0	0	111.8	G45 M429 T470 Q473 L474	T43-G45 VanDerWaalsContact C-N 3.3Å; T43-M429 PolarHBondContact N-O 3.44Å; T43-M429 WeakPolarHBondContact OG1-CA 3.48Å; T43-M429 PolarHBondContact OG1-O 3.29Å; T43-T470 HydrophobicContact CG2-CG2 4.24Å; T43-T470 WeakPolarHBondContact O-CA 3.26Å; T43-T470 PolarHBondContact O-OG1 2.92Å; T43-Q473 HydrophobicContact CG2-CB 4.09Å; T43-Q473 HydrophobicContact CG2-CG 3.94Å; T43-L474 HydrophobicContact CG2-CD2 4.05Å; T43-L474 HydrophobicContact CG2-CG 4.15Å
44	G	97.8	Very high	95.9	Very high	6 Å²	6	71.8 Å²	71.8	6%	0.062	36%	0.363	C	S	.	.	T	Hydrogen-bonded Turn	trans	82	-1.9	-179.1	0	0	0	0	0	114.9	Q42 N46 L47 R469	Q42-G44 PolarHBondContact O-N 3.32Å; G44-N46 PolarHBondContact O-N 2.99Å; G44-L47 WeakPolarHBondContact O-CB 3.37Å; G44-L47 PolarHBondContact O-N 3.12Å; G44-R469 VanDerWaalsContact O-CB 3.26Å; G44-R469 WeakPolarHBondContact O-CB 3.4Å
45	G	96.5	Very high	95.8	Very high	17 Å²	17	73.4 Å²	73.4	18%	0.175	37%	0.368	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.9	-31.5	-176.4	0	0	0	0	0	114.9	K39 Q42 T43	K39-G45 WeakPolarHBondContact O-CA 3.41Å; Q42-G45 PolarHBondContact O-N 3.21Å; T43-G45 VanDerWaalsContact C-N 3.3Å
46	N	95	Very high	95.7	Very high	129 Å²	129	70 Å²	70	69%	0.69	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.7	-0.1	179.4	-63.5	-48.7	0	0	0	114.6	A40 G44	A40-N46 PolarHBondContact O-ND2 3.48Å; A40-N46 PolarHBondContact O-OD1 3.4Å; G44-N46 PolarHBondContact O-N 2.99Å
47	L	97.3	Very high	95.8	Very high	44 Å²	44	64.4 Å²	64.4	23%	0.23	33%	0.326	C	S	.	.	P	Polyproline II helix	trans	-75.4	132	176.3	-65.8	-179.5	0	0	0	110.9	G44 R469 K472 Q473	G44-L47 WeakPolarHBondContact O-CB 3.37Å; G44-L47 PolarHBondContact O-N 3.12Å; L47-R469 HydrophobicContact CB-CB 4.21Å; L47-R469 HydrophobicContact CB-CG 4.24Å; L47-R469 WeakPolarHBondContact O-CD 3.44Å; L47-R469 PolarHBondContact O-NE 2.89Å; L47-K472 HydrophobicContact CD1-CB 4.16Å; L47-K472 HydrophobicContact CD1-CD 4.4Å; L47-K472 HydrophobicContact CD1-CG 4.36Å; L47-Q473 HydrophobicContact CD1-CB 3.9Å
48	V	96.9	Very high	95.9	Very high	129 Å²	129	63.8 Å²	63.8	78%	0.782	33%	0.329	S	S	*	.	P	Polyproline II helix	trans	-87.2	124.4	171.3	-176.4	0	0	0	0	108.3
49	L	97.2	Very high	95.8	Very high	17 Å²	17	62.2 Å²	62.2	9%	0.089	32%	0.32	C	S	.	.	P	Polyproline II helix	trans	-91.8	139.8	172.9	-62.3	-173.4	0	0	0	109.4	E53 Q54 L468 R469	L49-E53 WeakPolarHBondContact CA-OE2 3.47Å; L49-E53 HydrophobicContact CB-CB 3.8Å; L49-E53 HydrophobicContact CD1-CB 4.43Å; L49-E53 HydrophobicContact CD2-CB 4.07Å; L49-E53 HydrophobicContact CG-CB 4.3Å; L49-Q54 HydrophobicContact CB-CB 4.39Å; L49-L468 HydrophobicContact CD1-CB 4.31Å; L49-L468 HydrophobicContact CD1-CD2 4.47Å; L49-R469 HydrophobicContact CD1-CG 3.9Å; L49-R469 HydrophobicContact CD2-CG 3.75Å; L49-R469 HydrophobicContact CG-CG 3.72Å
50	D	96.3	Very high	95.9	Very high	80 Å²	80	58 Å²	58	43%	0.428	30%	0.302	S	S	.	.			trans	-72.2	-178.7	167.2	73.8	42.5	0	0	0	112	Q52 E53 Q54	D50-Q52 PolarHBondContact O-N 3.25Å; D50-Q52 WeakPolarHBondContact OD1-CA 3.5Å; D50-Q52 PolarHBondContact OD1-N 3.38Å; D50-E53 PolarHBondContact N-OE2 3.16Å; D50-E53 WeakPolarHBondContact OD1-CG 3.28Å; D50-E53 PolarHBondContact OD1-N 2.83Å; D50-Q54 WeakPolarHBondContact O-CB 3.27Å; D50-Q54 PolarHBondContact O-N 3.31Å
51	K	95.1	Very high	96	Very high	166 Å²	166	58 Å²	58	72%	0.722	30%	0.299	S	S	*	.	H	α-helix	trans	-62.2	-42.1	-177	-173.6	-178.1	176.6	-173.9	0	113	Q55	K51-Q55 WeakPolarHBondContact O-CG 3.46Å; K51-Q55 PolarHBondContact O-N 3.05Å; K51-Q55 VanDerWaalsContact O-N 3.12Å
52	Q	94.2	Very high	96.1	Very high	99 Å²	99	55.9 Å²	55.9	46%	0.463	30%	0.295	S	S	.	.	H	α-helix	trans	-74.2	-41.8	-178.2	-67.9	-179.4	-23.1	0	0	110.4	D50 Q54 Q55 L56 I504	D50-Q52 PolarHBondContact O-N 3.25Å; D50-Q52 WeakPolarHBondContact OD1-CA 3.5Å; D50-Q52 PolarHBondContact OD1-N 3.38Å; Q52-Q54 VanDerWaalsContact C-N 3.3Å; Q52-Q54 PolarHBondContact O-N 3.14Å; Q52-Q55 WeakPolarHBondContact O-CB 3.26Å; Q52-Q55 PolarHBondContact O-N 3.07Å; Q52-L56 PolarHBondContact O-N 3.26Å; Q52-I504 HydrophobicContact CB-CG2 3.55Å
53	E	96.8	Very high	96.1	Very high	5 Å²	5	55.7 Å²	55.7	2%	0.023	30%	0.295	C	S	.	.	H	α-helix	trans	-59.7	-41.4	173.1	-68.1	-175.3	127.4	0	0	111.8	L49 D50 Q55 L56 S57 L468 K472 W500 I504	L49-E53 WeakPolarHBondContact CA-OE2 3.47Å; L49-E53 HydrophobicContact CB-CB 3.8Å; L49-E53 HydrophobicContact CD1-CB 4.43Å; L49-E53 HydrophobicContact CD2-CB 4.07Å; L49-E53 HydrophobicContact CG-CB 4.3Å; D50-E53 PolarHBondContact N-OE2 3.16Å; D50-E53 WeakPolarHBondContact OD1-CG 3.28Å; D50-E53 PolarHBondContact OD1-N 2.83Å; E53-Q55 VanDerWaalsContact C-N 3.35Å; E53-Q55 PolarHBondContact O-N 3.16Å; E53-L56 PolarHBondContact O-N 3.11Å; E53-S57 VanDerWaalsContact O-CB 3.28Å; E53-S57 WeakPolarHBondContact O-CB 3.3Å; E53-S57 PolarHBondContact O-N 3.47Å; E53-L468 HydrophobicContact CB-CD2 4.06Å; E53-L468 VanDerWaalsContact O-CD2 3.24Å; E53-L468 WeakPolarHBondContact O-CD2 3.1Å; E53-K472 WeakPolarHBondContact OE1-CE 3.46Å; E53-K472 IonicContact OE1-NZ 2.76Å; E53-K472 PolarHBondContact OE1-NZ 2.99Å; E53-K472 IonicContact OE2-NZ 3.46Å; E53-K472 PolarHBondContact OE2-NZ 2.76Å; E53-W500 PolarHBondContact OE1-NE1 3.01Å; E53-I504 HydrophobicContact CG-CD1 4.04Å; E53-I504 HydrophobicContact CG-CG1 4.03Å; E53-I504 HydrophobicContact CG-CG2 4.36Å
54	Q	96.1	Very high	96.1	Very high	75 Å²	75	55.4 Å²	55.4	35%	0.35	29%	0.293	S	S	.	.	H	α-helix	trans	-66.3	-37	177.4	-173.3	57.8	64.2	0	0	111.9	L49 D50 Q52 S57 T58	L49-Q54 HydrophobicContact CB-CB 4.39Å; D50-Q54 WeakPolarHBondContact O-CB 3.27Å; D50-Q54 PolarHBondContact O-N 3.31Å; Q52-Q54 VanDerWaalsContact C-N 3.3Å; Q52-Q54 PolarHBondContact O-N 3.14Å; Q54-S57 PolarHBondContact O-N 3.15Å; Q54-T58 PolarHBondContact O-N 2.69Å; Q54-T58 PolarHBondContact O-OG1 2.71Å; Q54-T58 VanDerWaalsContact O-OG1 3.04Å
55	Q	93.4	Very high	96.1	Very high	110 Å²	110	59.8 Å²	59.8	51%	0.514	31%	0.312	S	S	.	.	H	α-helix	trans	-63.4	-48.6	173.8	-75.3	173	-29.1	0	0	111.4	K51 Q52 E53 S57 T58 K59	K51-Q55 WeakPolarHBondContact O-CG 3.46Å; K51-Q55 PolarHBondContact O-N 3.05Å; K51-Q55 VanDerWaalsContact O-N 3.12Å; Q52-Q55 WeakPolarHBondContact O-CB 3.26Å; Q52-Q55 PolarHBondContact O-N 3.07Å; E53-Q55 VanDerWaalsContact C-N 3.35Å; E53-Q55 PolarHBondContact O-N 3.16Å; Q55-S57 VanDerWaalsContact C-N 3.34Å; Q55-S57 PolarHBondContact O-N 2.76Å; Q55-T58 PolarHBondContact O-N 2.95Å; Q55-K59 PolarHBondContact O-N 3.3Å; Q55-K59 VanDerWaalsContact O-N 3.17Å
56	L	94.3	Very high	96.2	Very high	4 Å²	4	65 Å²	65	2%	0.021	33%	0.332	C	S	.	.	H	α-helix	trans	-61.5	-43.4	176.1	178.5	60.8	0	0	0	111.5	Q52 E53 T58 K59 L60 L468 F503 I504 L507 F511	Q52-L56 PolarHBondContact O-N 3.26Å; E53-L56 PolarHBondContact O-N 3.11Å; L56-T58 VanDerWaalsContact C-N 3.32Å; L56-T58 PolarHBondContact O-N 2.91Å; L56-K59 PolarHBondContact O-N 3.3Å; L56-L60 WeakPolarHBondContact O-CB 3.44Å; L56-L60 PolarHBondContact O-N 3.25Å; L56-L468 HydrophobicContact CB-CD2 4.26Å; L56-L468 HydrophobicContact CD2-CD1 4.18Å; L56-L468 HydrophobicContact CD2-CD2 4.14Å; L56-L468 HydrophobicContact CG-CD2 4.3Å; L56-F503 HydrophobicContact CD2-CD1 4.38Å; L56-F503 HydrophobicContact CD2-CE1 3.73Å; L56-F503 HydrophobicContact CD2-CZ 4.19Å; L56-I504 HydrophobicContact CD2-CD1 3.42Å; L56-I504 VanDerWaalsContact CD2-CD1 3.42Å; L56-L507 HydrophobicContact CD1-CB 3.94Å; L56-L507 HydrophobicContact CD1-CD1 3.89Å; L56-L507 HydrophobicContact CD2-CB 4.49Å; L56-L507 HydrophobicContact CD2-CD1 3.99Å; L56-F511 HydrophobicContact CD1-CD2 4.28Å; L56-F511 HydrophobicContact CD1-CE2 3.69Å
57	S	96.6	Very high	96.4	Very high	3 Å²	3	60.8 Å²	60.8	2%	0.021	31%	0.308	C	S	.	.	H	α-helix	trans	-58.5	-44.1	178.5	-171.9	0	0	0	0	111.7	E53 Q54 Q55 L60 V61	E53-S57 VanDerWaalsContact O-CB 3.28Å; E53-S57 WeakPolarHBondContact O-CB 3.3Å; E53-S57 PolarHBondContact O-N 3.47Å; Q54-S57 PolarHBondContact O-N 3.15Å; Q55-S57 VanDerWaalsContact C-N 3.34Å; Q55-S57 PolarHBondContact O-N 2.76Å; S57-L60 PolarHBondContact O-N 3.16Å; S57-V61 WeakPolarHBondContact O-CB 3.34Å; S57-V61 VanDerWaalsContact O-CG2 3.29Å; S57-V61 WeakPolarHBondContact O-CG2 3.3Å; S57-V61 PolarHBondContact O-N 3.31Å
58	T	95.3	Very high	96.4	Very high	89 Å²	89	59.6 Å²	59.6	55%	0.546	30%	0.303	S	S	.	.	H	α-helix	trans	-62.2	-44.1	177.6	-61.1	0	0	0	0	111.3	Q54 Q55 L56 S62	Q54-T58 PolarHBondContact O-N 2.69Å; Q54-T58 PolarHBondContact O-OG1 2.71Å; Q54-T58 VanDerWaalsContact O-OG1 3.04Å; Q55-T58 PolarHBondContact O-N 2.95Å; L56-T58 VanDerWaalsContact C-N 3.32Å; L56-T58 PolarHBondContact O-N 2.91Å; T58-S62 WeakPolarHBondContact O-CB 3.23Å; T58-S62 PolarHBondContact O-N 3.4Å
59	K	93.6	Very high	96.4	Very high	86 Å²	86	55.6 Å²	55.6	37%	0.374	28%	0.283	S	S	.	.	H	α-helix	trans	-66.8	-44.6	178.9	-178.3	60.4	174.7	178.9	0	112.1	Q55 L56 V61 S62 L63 F511	Q55-K59 PolarHBondContact O-N 3.3Å; Q55-K59 VanDerWaalsContact O-N 3.17Å; L56-K59 PolarHBondContact O-N 3.3Å; K59-V61 PolarHBondContact O-N 3.4Å; K59-S62 PolarHBondContact O-N 3.18Å; K59-L63 HydrophobicContact CG-CD1 4.37Å; K59-L63 WeakPolarHBondContact O-CG 3.12Å; K59-L63 PolarHBondContact O-N 3.36Å; K59-F511 HydrophobicContact CG-CD1 4.43Å; K59-F511 HydrophobicContact CG-CD2 4.33Å; K59-F511 HydrophobicContact CG-CE1 4.42Å; K59-F511 HydrophobicContact CG-CE2 4.33Å; K59-F511 HydrophobicContact CG-CG 4.42Å; K59-F511 HydrophobicContact CG-CZ 4.39Å
60	L	96.3	Very high	96.4	Very high	1 Å²	1	58.4 Å²	58.4	1%	0.005	30%	0.301	C	S	.	.	H	α-helix	trans	-60.9	-44.3	178.7	179.4	62.1	0	0	0	111.6	L56 S57 L63 K64 V95 I98 F458 L468 L471	L56-L60 WeakPolarHBondContact O-CB 3.44Å; L56-L60 PolarHBondContact O-N 3.25Å; S57-L60 PolarHBondContact O-N 3.16Å; L60-L63 PolarHBondContact O-N 3.34Å; L60-K64 WeakPolarHBondContact O-CB 3.43Å; L60-K64 PolarHBondContact O-N 3Å; L60-V95 HydrophobicContact CD1-CG1 4.25Å; L60-V95 HydrophobicContact CD1-CG2 4.48Å; L60-I98 HydrophobicContact CD1-CD1 4.03Å; L60-I98 HydrophobicContact CD1-CG2 4.28Å; L60-F458 HydrophobicContact CD1-CE1 4.17Å; L60-F458 HydrophobicContact CD2-CE1 4.16Å; L60-F458 HydrophobicContact CD2-CZ 3.77Å; L60-F458 HydrophobicContact CG-CE1 4.04Å; L60-F458 HydrophobicContact CG-CZ 3.9Å; L60-L468 HydrophobicContact CD2-CD1 4.35Å; L60-L471 HydrophobicContact CD2-CD1 3.65Å
61	V	97.1	Very high	96.5	Very high	31 Å²	31	55 Å²	55	19%	0.188	28%	0.284	C	S	.	.	H	α-helix	trans	-63.5	-42.2	175.7	170.4	0	0	0	0	110.9	S57 K59 L63 K64 E65 D467	S57-V61 WeakPolarHBondContact O-CB 3.34Å; S57-V61 VanDerWaalsContact O-CG2 3.29Å; S57-V61 WeakPolarHBondContact O-CG2 3.3Å; S57-V61 PolarHBondContact O-N 3.31Å; K59-V61 PolarHBondContact O-N 3.4Å; V61-L63 PolarHBondContact O-N 2.95Å; V61-K64 WeakPolarHBondContact O-CB 3.38Å; V61-K64 PolarHBondContact O-N 2.85Å; V61-E65 HydrophobicContact CG1-CG 4.24Å; V61-E65 WeakPolarHBondContact O-CB 3.35Å; V61-E65 WeakPolarHBondContact O-CG 3.49Å; V61-E65 PolarHBondContact O-N 2.89Å; V61-D467 HydrophobicContact CG2-CB 3.78Å
62	S	97.5	Very high	96.5	Very high	56 Å²	56	54.3 Å²	54.3	39%	0.392	29%	0.285	S	S	.	.	H	α-helix	trans	-60.6	-42	176.3	173.7	0	0	0	0	113	T58 K59 E65 E66	T58-S62 WeakPolarHBondContact O-CB 3.23Å; T58-S62 PolarHBondContact O-N 3.4Å; K59-S62 PolarHBondContact O-N 3.18Å; S62-E65 PolarHBondContact O-N 3.03Å; S62-E66 PolarHBondContact O-N 2.95Å; S62-E66 VanDerWaalsContact O-N 3.08Å
63	L	97.4	Very high	96.6	Very high	16 Å²	16	56.4 Å²	56.4	8%	0.084	30%	0.3	C	S	.	.	H	α-helix	trans	-64.4	-42.6	175.5	-70.6	168.6	0	0	0	111.5	K59 L60 V61 E66 E67 T94 V95 I98	K59-L63 HydrophobicContact CG-CD1 4.37Å; K59-L63 WeakPolarHBondContact O-CG 3.12Å; K59-L63 PolarHBondContact O-N 3.36Å; L60-L63 PolarHBondContact O-N 3.34Å; V61-L63 PolarHBondContact O-N 2.95Å; L63-E66 PolarHBondContact O-N 2.78Å; L63-E67 WeakPolarHBondContact O-CG 3.46Å; L63-E67 PolarHBondContact O-N 2.93Å; L63-T94 HydrophobicContact CD1-CG2 3.9Å; L63-T94 HydrophobicContact CD2-CG2 4.24Å; L63-V95 HydrophobicContact CB-CG2 4.09Å; L63-I98 HydrophobicContact CD1-CD1 3.73Å
64	K	98.2	Very high	96.6	Very high	0 Å²	0	60 Å²	60	0%	0	32%	0.322	C	S	.	.	H	α-helix	trans	-61.2	-45	175.2	168.6	173.7	173.2	177.8	0	112	L60 V61 E66 E67 V68 V95 F458 M459 G463 M464 A466	L60-K64 WeakPolarHBondContact O-CB 3.43Å; L60-K64 PolarHBondContact O-N 3Å; V61-K64 WeakPolarHBondContact O-CB 3.38Å; V61-K64 PolarHBondContact O-N 2.85Å; K64-E66 VanDerWaalsContact C-N 3.31Å; K64-E66 PolarHBondContact O-N 3.04Å; K64-E67 PolarHBondContact O-N 3.41Å; K64-V68 HydrophobicContact CG-CG2 4.44Å; K64-V68 WeakPolarHBondContact O-CB 3.39Å; K64-V68 VanDerWaalsContact O-CG2 3.29Å; K64-V68 WeakPolarHBondContact O-CG2 3.28Å; K64-V68 PolarHBondContact O-N 3.05Å; K64-V95 HydrophobicContact CB-CG2 4.21Å; K64-F458 HydrophobicContact CB-CE1 4.45Å; K64-F458 HydrophobicContact CD-CD1 4.21Å; K64-F458 HydrophobicContact CD-CE1 3.63Å; K64-F458 HydrophobicContact CD-CZ 3.87Å; K64-F458 WeakPolarHBondContact CE-O 3.38Å; K64-F458 PolarHBondContact NZ-O 2.93Å; K64-M459 HydrophobicContact CB-SD 4.24Å; K64-M459 HydrophobicContact CD-SD 4.05Å; K64-M459 HydrophobicContact CG-CE 4.17Å; K64-M459 HydrophobicContact CG-SD 3.76Å; K64-G463 WeakPolarHBondContact CE-O 3.16Å; K64-G463 PolarHBondContact NZ-O 3.48Å; K64-M464 HydrophobicContact CG-SD 4.22Å; K64-A466 PolarHBondContact NZ-O 3.19Å
65	E	98.3	Very high	96.5	Very high	99 Å²	99	59.2 Å²	59.2	46%	0.463	33%	0.334	S	S	.	.	H	α-helix	trans	-59.8	-41.1	176.7	-75.9	174	167.2	0	0	111.5	V61 S62 A69 M464	V61-E65 HydrophobicContact CG1-CG 4.24Å; V61-E65 WeakPolarHBondContact O-CB 3.35Å; V61-E65 WeakPolarHBondContact O-CG 3.49Å; V61-E65 PolarHBondContact O-N 2.89Å; S62-E65 PolarHBondContact O-N 3.03Å; E65-A69 WeakPolarHBondContact O-CB 3.26Å; E65-A69 PolarHBondContact O-N 2.81Å; E65-M464 HydrophobicContact CG-SD 3.8Å
66	E	98	Very high	96.7	Very high	125 Å²	125	58.7 Å²	58.7	58%	0.584	33%	0.334	S	S	*	.	H	α-helix	trans	-64.8	-47.3	176.3	-176.9	177.8	-176.3	0	0	112.5	S62 L63 K64 V68 A69 T70	S62-E66 PolarHBondContact O-N 2.95Å; S62-E66 VanDerWaalsContact O-N 3.08Å; L63-E66 PolarHBondContact O-N 2.78Å; K64-E66 VanDerWaalsContact C-N 3.31Å; K64-E66 PolarHBondContact O-N 3.04Å; E66-V68 PolarHBondContact O-N 3.32Å; E66-A69 PolarHBondContact O-N 3.35Å; E66-T70 WeakPolarHBondContact O-CB 3.46Å; E66-T70 PolarHBondContact O-N 2.87Å; E66-T70 PolarHBondContact O-OG1 3Å
67	E	98	Very high	96.9	Very high	42 Å²	42	59.3 Å²	59.3	20%	0.196	34%	0.337	C	S	.	.	H	α-helix	trans	-61.5	-43.8	177.1	-73.6	-174	-163.8	0	0	111	L63 K64 T70 A71 S93 T94 V95 M459	L63-E67 WeakPolarHBondContact O-CG 3.46Å; L63-E67 PolarHBondContact O-N 2.93Å; K64-E67 PolarHBondContact O-N 3.41Å; E67-T70 PolarHBondContact O-N 3.32Å; E67-A71 WeakPolarHBondContact O-CB 3.14Å; E67-A71 PolarHBondContact O-N 3.4Å; E67-S93 PolarHBondContact OE1-OG 2.79Å; E67-S93 WeakPolarHBondContact OE2-CB 3.49Å; E67-S93 PolarHBondContact OE2-OG 3.26Å; E67-T94 PolarHBondContact OE1-N 3.45Å; E67-V95 PolarHBondContact OE1-N 3.34Å; E67-V95 VanDerWaalsContact OE1-N 3.13Å; E67-M459 HydrophobicContact CB-CE 3.99Å
68	V	97.7	Very high	97	Very high	18 Å²	18	59.8 Å²	59.8	11%	0.109	34%	0.34	C	S	.	.	H	α-helix	trans	-69.2	-40.2	177.4	174.2	0	0	0	0	111.9	K64 E66 T70 A71 M72 F77 M459 M464	K64-V68 HydrophobicContact CG-CG2 4.44Å; K64-V68 WeakPolarHBondContact O-CB 3.39Å; K64-V68 VanDerWaalsContact O-CG2 3.29Å; K64-V68 WeakPolarHBondContact O-CG2 3.28Å; K64-V68 PolarHBondContact O-N 3.05Å; E66-V68 PolarHBondContact O-N 3.32Å; V68-T70 VanDerWaalsContact C-N 3.29Å; V68-T70 PolarHBondContact O-N 3.39Å; V68-A71 CarbonylContact O-C 3.34Å; V68-A71 WeakPolarHBondContact O-CB 3.22Å; V68-A71 PolarHBondContact O-N 2.98Å; V68-A71 VanDerWaalsContact O-N 3.13Å; V68-M72 HydrophobicContact CG1-CG 4.28Å; V68-M72 HydrophobicContact CG1-SD 4.23Å; V68-M72 WeakPolarHBondContact O-CG 3.28Å; V68-M72 PolarHBondContact O-N 3.19Å; V68-F77 HydrophobicContact CG2-CE2 4.1Å; V68-M459 HydrophobicContact CG2-CE 4.05Å; V68-M464 HydrophobicContact CB-CE 3.6Å; V68-M464 HydrophobicContact CG1-CE 3.4Å; V68-M464 VanDerWaalsContact CG1-CE 3.4Å; V68-M464 HydrophobicContact CG2-CE 3.87Å
69	A	97.8	Very high	97.1	Very high	46 Å²	46	55.5 Å²	55.5	38%	0.38	31%	0.314	S	S	.	.	H	α-helix	trans	-61.3	-41.4	176.2	0	0	0	0	0	111.2	E65 E66 A71 M72 N73	E65-A69 WeakPolarHBondContact O-CB 3.26Å; E65-A69 PolarHBondContact O-N 2.81Å; E66-A69 PolarHBondContact O-N 3.35Å; A69-A71 VanDerWaalsContact C-N 3.33Å; A69-A71 PolarHBondContact O-N 3.38Å; A69-M72 PolarHBondContact O-N 3.41Å; A69-N73 VanDerWaalsContact O-CG 3.28Å; A69-N73 PolarHBondContact O-N 3.2Å; A69-N73 PolarHBondContact O-ND2 3.06Å
70	T	97.6	Very high	97.3	Very high	76 Å²	76	53 Å²	53	47%	0.466	31%	0.307	S	S	.	.	H	α-helix	trans	-61.4	-43.5	173	-59.2	0	0	0	0	111.1	E66 E67 V68 M72 N73 T74	E66-T70 WeakPolarHBondContact O-CB 3.46Å; E66-T70 PolarHBondContact O-N 2.87Å; E66-T70 PolarHBondContact O-OG1 3Å; E67-T70 PolarHBondContact O-N 3.32Å; V68-T70 VanDerWaalsContact C-N 3.29Å; V68-T70 PolarHBondContact O-N 3.39Å; T70-M72 PolarHBondContact O-N 3.11Å; T70-N73 PolarHBondContact O-N 2.99Å; T70-T74 HydrophobicContact CG2-CG2 4.3Å; T70-T74 WeakPolarHBondContact O-CB 3.39Å; T70-T74 WeakPolarHBondContact O-CG2 3.41Å; T70-T74 PolarHBondContact O-N 3.34Å; T70-T74 PolarHBondContact O-OG1 3.13Å
71	A	96.8	Very high	97.4	Very high	8 Å²	8	54.9 Å²	54.9	7%	0.066	32%	0.316	C	S	.	.	H	α-helix	trans	-64.4	-38.9	177.2	0	0	0	0	0	112.8	E67 V68 A69 N73 T74 G75 L76 F77	E67-A71 WeakPolarHBondContact O-CB 3.14Å; E67-A71 PolarHBondContact O-N 3.4Å; V68-A71 CarbonylContact O-C 3.34Å; V68-A71 WeakPolarHBondContact O-CB 3.22Å; V68-A71 PolarHBondContact O-N 2.98Å; V68-A71 VanDerWaalsContact O-N 3.13Å; A69-A71 VanDerWaalsContact C-N 3.33Å; A69-A71 PolarHBondContact O-N 3.38Å; A71-N73 VanDerWaalsContact C-N 3.33Å; A71-N73 PolarHBondContact O-N 2.88Å; A71-T74 PolarHBondContact O-N 3.04Å; A71-G75 CarbonylContact O-C 3.49Å; A71-G75 VanDerWaalsContact O-CA 3.27Å; A71-G75 WeakPolarHBondContact O-CA 3.16Å; A71-G75 PolarHBondContact O-N 3.14Å; A71-L76 WeakPolarHBondContact CB-O 3.49Å; A71-L76 PolarHBondContact O-N 3.16Å; A71-F77 HydrophobicContact CB-CB 3.74Å; A71-F77 HydrophobicContact CB-CD2 3.63Å; A71-F77 HydrophobicContact CB-CG 4.11Å
72	M	95.4	Very high	97.5	Very high	151 Å²	151	54.2 Å²	54.2	74%	0.744	31%	0.311	S	S	*	.	H	α-helix	trans	-64.6	-36.8	174.1	-70.9	179.6	72.8	0	0	112.1	V68 A69 T70	V68-M72 HydrophobicContact CG1-CG 4.28Å; V68-M72 HydrophobicContact CG1-SD 4.23Å; V68-M72 WeakPolarHBondContact O-CG 3.28Å; V68-M72 PolarHBondContact O-N 3.19Å; A69-M72 PolarHBondContact O-N 3.41Å; T70-M72 PolarHBondContact O-N 3.11Å
73	N	97.1	Very high	97.5	Very high	143 Å²	143	51.5 Å²	51.5	77%	0.765	29%	0.292	S	S	*	.	H	α-helix	trans	-74.2	-36.3	178.6	-72	-24.5	0	0	0	113	A69 T70 A71	A69-N73 VanDerWaalsContact O-CG 3.28Å; A69-N73 PolarHBondContact O-N 3.2Å; A69-N73 PolarHBondContact O-ND2 3.06Å; T70-N73 PolarHBondContact O-N 2.99Å; A71-N73 VanDerWaalsContact C-N 3.33Å; A71-N73 PolarHBondContact O-N 2.88Å
74	T	96.7	Very high	97.6	Very high	81 Å²	81	52.1 Å²	52.1	50%	0.497	29%	0.294	S	S	.	.	H	α-helix	trans	-94.8	-20	-175.1	57.6	0	0	0	0	113.6	T70 A71 L76	T70-T74 HydrophobicContact CG2-CG2 4.3Å; T70-T74 WeakPolarHBondContact O-CB 3.39Å; T70-T74 WeakPolarHBondContact O-CG2 3.41Å; T70-T74 PolarHBondContact O-N 3.34Å; T70-T74 PolarHBondContact O-OG1 3.13Å; A71-T74 PolarHBondContact O-N 3.04Å; T74-L76 PolarHBondContact O-N 2.88Å; T74-L76 PolarHBondContact OG1-N 2.93Å
75	G	94.6	Very high	97.5	Very high	58 Å²	58	57.9 Å²	57.9	60%	0.598	32%	0.316	S	S	*	.	S	Bend	trans	75	1.1	-167.7	0	0	0	0	0	114.1	A71 F77	A71-G75 CarbonylContact O-C 3.49Å; A71-G75 VanDerWaalsContact O-CA 3.27Å; A71-G75 WeakPolarHBondContact O-CA 3.16Å; A71-G75 PolarHBondContact O-N 3.14Å; G75-F77 PolarHBondContact O-N 2.82Å
76	L	96.4	Very high	97.5	Very high	99 Å²	99	53.1 Å²	53.1	52%	0.518	29%	0.294	S	S	.	.			trans	-98.2	88.3	-179.2	-61.9	178.1	0	0	0	110	A71 T74 M81	A71-L76 WeakPolarHBondContact CB-O 3.49Å; A71-L76 PolarHBondContact O-N 3.16Å; T74-L76 PolarHBondContact O-N 2.88Å; T74-L76 PolarHBondContact OG1-N 2.93Å; L76-M81 HydrophobicContact CD2-SD 4.35Å
77	F	98.1	Very high	97.5	Very high	17 Å²	17	49.9 Å²	49.9	8%	0.075	28%	0.277	C	S	.	.			trans	-110.3	109.4	174.9	-175.8	-124.9	0	0	0	109.8	V68 A71 G75 P79 S80 M81 R421 M459 A460	V68-F77 HydrophobicContact CG2-CE2 4.1Å; A71-F77 HydrophobicContact CB-CB 3.74Å; A71-F77 HydrophobicContact CB-CD2 3.63Å; A71-F77 HydrophobicContact CB-CG 4.11Å; G75-F77 PolarHBondContact O-N 2.82Å; F77-P79 HydrophobicContact CD1-CB 4.24Å; F77-P79 HydrophobicContact CD1-CG 4.33Å; F77-P79 HydrophobicContact CE1-CB 3.72Å; F77-P79 HydrophobicContact CE1-CG 3.72Å; F77-P79 HydrophobicContact CE2-CG 4.05Å; F77-P79 HydrophobicContact CZ-CB 4.09Å; F77-P79 HydrophobicContact CZ-CG 3.57Å; F77-S80 WeakPolarHBondContact CB-OG 3.45Å; F77-S80 PolarHBondContact O-N 2.71Å; F77-S80 PolarHBondContact O-OG 3.19Å; F77-M81 PolarHBondContact O-N 3.04Å; F77-R421 HydrophobicContact CD1-CG 4.3Å; F77-R421 HydrophobicContact CE1-CG 3.79Å; F77-M459 HydrophobicContact CZ-CB 4.26Å; F77-A460 HydrophobicContact CE1-CB 4.06Å; F77-A460 HydrophobicContact CZ-CB 4.29Å
78	P	98.4	Very high	97.5	Very high	13 Å²	13	51 Å²	51	8%	0.084	29%	0.29	C	S	.	.	G	3₁₀ helix	trans	-52.1	-44.3	-170.3	-25.1	31.4	0	0	0	114.8	S80 M81 A86 L89 I90 Y455	P78-S80 PolarHBondContact O-N 2.78Å; P78-S80 VanDerWaalsContact O-N 3.14Å; P78-M81 WeakPolarHBondContact O-CB 3.42Å; P78-M81 PolarHBondContact O-N 3.17Å; P78-A86 HydrophobicContact CB-CB 4Å; P78-A86 VanDerWaalsContact O-CB 3.32Å; P78-A86 WeakPolarHBondContact O-CB 3.22Å; P78-L89 HydrophobicContact CB-CB 4.48Å; P78-L89 HydrophobicContact CG-CB 3.88Å; P78-L89 HydrophobicContact CG-CD1 4.37Å; P78-I90 HydrophobicContact CB-CD1 4.3Å; P78-I90 HydrophobicContact CB-CG1 3.7Å; P78-I90 HydrophobicContact CG-CG1 4.48Å; P78-Y455 HydrophobicContact CB-CE1 4.3Å
79	P	98.4	Very high	97.5	Very high	0 Å²	0	53 Å²	53	0%	0	30%	0.3	C	S	.	.	G	3₁₀ helix	trans	-65.2	-16.4	177.2	-24.9	36.3	0	0	0	116.1	F77 L420 Y455 E456 M459 A460	F77-P79 HydrophobicContact CD1-CB 4.24Å; F77-P79 HydrophobicContact CD1-CG 4.33Å; F77-P79 HydrophobicContact CE1-CB 3.72Å; F77-P79 HydrophobicContact CE1-CG 3.72Å; F77-P79 HydrophobicContact CE2-CG 4.05Å; F77-P79 HydrophobicContact CZ-CB 4.09Å; F77-P79 HydrophobicContact CZ-CG 3.57Å; P79-L420 HydrophobicContact CB-CB 4.38Å; P79-L420 WeakPolarHBondContact O-CB 3.47Å; P79-L420 PolarHBondContact O-N 3Å; P79-Y455 HydrophobicContact CG-CE1 4.07Å; P79-E456 WeakPolarHBondContact CA-OE2 3.44Å; P79-E456 WeakPolarHBondContact CB-OE2 3.42Å; P79-E456 VanDerWaalsContact CG-OE2 3.27Å; P79-E456 WeakPolarHBondContact CG-OE2 3.04Å; P79-M459 HydrophobicContact CG-CB 3.98Å; P79-A460 HydrophobicContact CB-CB 3.4Å; P79-A460 VanDerWaalsContact CB-CB 3.4Å; P79-A460 HydrophobicContact CG-CB 3.96Å
80	S	98.1	Very high	97.6	Very high	32 Å²	32	50.9 Å²	50.9	22%	0.224	28%	0.282	C	S	.	.	G	3₁₀ helix	trans	-90.7	-8.5	174.1	69.6	0	0	0	0	113.2	F77 P78 D419	F77-S80 WeakPolarHBondContact CB-OG 3.45Å; F77-S80 PolarHBondContact O-N 2.71Å; F77-S80 PolarHBondContact O-OG 3.19Å; P78-S80 PolarHBondContact O-N 2.78Å; P78-S80 VanDerWaalsContact O-N 3.14Å; S80-D419 WeakPolarHBondContact CA-OD1 3.44Å; S80-D419 WeakPolarHBondContact CB-OD1 3.5Å
81	M	98	Very high	97.6	Very high	42 Å²	42	50.8 Å²	50.8	21%	0.207	28%	0.279	C	S	.	.	S	Bend	trans	-98.4	152.7	176.9	-60.7	169	61.9	0	0	109	L76 F77 P78 F83 R85 A86 L89 Q412	L76-M81 HydrophobicContact CD2-SD 4.35Å; F77-M81 PolarHBondContact O-N 3.04Å; P78-M81 WeakPolarHBondContact O-CB 3.42Å; P78-M81 PolarHBondContact O-N 3.17Å; M81-F83 PolarHBondContact O-N 3.33Å; M81-R85 HydrophobicContact CE-CB 4.38Å; M81-A86 HydrophobicContact CB-CB 4.06Å; M81-L89 HydrophobicContact CE-CD1 3.96Å; M81-L89 HydrophobicContact SD-CD1 3.87Å; M81-Q412 PolarHBondContact O-NE2 3.14Å; M81-Q412 PolarHBondContact O-OE1 3.19Å
82	H	98.5	Very high	97.6	Very high	16 Å²	16	57.4 Å²	57.4	7%	0.074	31%	0.308	C	S	.	.			trans	-59.6	131.5	171.1	-170.7	-64.2	0	0	0	110.2	F84 R85 A86 P192 E193	H82-F84 VanDerWaalsContact C-N 3.28Å; H82-F84 AromaticContact CE1-CD1 3.86Å; H82-F84 AromaticContact CE1-CD2 3.29Å; H82-F84 WeakPolarHBondContact CE1-CD2 3.37Å; H82-F84 AromaticContact CE1-CE1 3.95Å; H82-F84 AromaticContact CE1-CE2 3.4Å; H82-F84 WeakPolarHBondContact CE1-CE2 3.49Å; H82-F84 AromaticContact CE1-CG 3.52Å; H82-F84 AromaticContact CE1-CZ 3.73Å; H82-F84 AromaticContact ND1-CD2 3.68Å; H82-F84 AromaticContact ND1-CG 3.58Å; H82-F84 PolarHBondContact ND1-N 3.46Å; H82-F84 PolarHBondContact O-N 3.14Å; H82-F84 VanDerWaalsContact O-N 3.1Å; H82-R85 PolarHBondContact O-N 2.97Å; H82-A86 PolarHBondContact O-N 2.76Å; H82-A86 VanDerWaalsContact O-N 3.07Å; H82-P192 HydrophobicContact CB-CG 4.3Å; H82-E193 IonicContact CD2-OE2 3.67Å
83	F	98.7	Very high	97.8	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-49.2	-43.3	-171.3	-178.8	-107.4	0	0	0	113.9	M81 R85 A86 K87 I90 I409 V413 F445 A447 Y452	M81-F83 PolarHBondContact O-N 3.33Å; F83-R85 PolarHBondContact O-N 3.2Å; F83-R85 VanDerWaalsContact O-N 3.09Å; F83-A86 PolarHBondContact O-N 3.43Å; F83-K87 HydrophobicContact CE1-CB 4.43Å; F83-K87 HydrophobicContact CE1-CD 4.37Å; F83-K87 HydrophobicContact CE1-CG 4.47Å; F83-K87 HydrophobicContact CE2-CB 4.37Å; F83-K87 HydrophobicContact CZ-CB 4.18Å; F83-K87 HydrophobicContact CZ-CD 4.29Å; F83-K87 HydrophobicContact CZ-CG 4.03Å; F83-K87 WeakPolarHBondContact O-CB 3.49Å; F83-K87 PolarHBondContact O-N 2.98Å; F83-I90 HydrophobicContact CD2-CD1 4.1Å; F83-I90 HydrophobicContact CE2-CD1 3.92Å; F83-I409 HydrophobicContact CB-CG2 4.16Å; F83-I409 HydrophobicContact CD1-CG2 3.73Å; F83-I409 HydrophobicContact CD2-CD1 3.89Å; F83-I409 HydrophobicContact CD2-CG1 4.05Å; F83-I409 HydrophobicContact CD2-CG2 4.26Å; F83-I409 HydrophobicContact CE1-CD1 4.45Å; F83-I409 HydrophobicContact CE1-CG2 4.19Å; F83-I409 HydrophobicContact CE2-CD1 3.58Å; F83-I409 HydrophobicContact CE2-CG1 4.27Å; F83-I409 HydrophobicContact CG-CD1 4.45Å; F83-I409 HydrophobicContact CG-CG1 4.4Å; F83-I409 HydrophobicContact CG-CG2 3.78Å; F83-I409 HydrophobicContact CZ-CD1 3.9Å; F83-V413 HydrophobicContact CB-CG2 4.41Å; F83-F445 WeakPolarHBondContact CD1-O 3.24Å; F83-F445 WeakPolarHBondContact CE1-O 3.22Å; F83-A447 HydrophobicContact CE1-CB 3.92Å; F83-A447 HydrophobicContact CZ-CB 3.88Å; F83-Y452 AromaticContact CE2-CD1 3.84Å; F83-Y452 HydrophobicContact CE2-CD1 3.84Å; F83-Y452 HydrophobicContact CE2-CG 4.18Å; F83-Y452 AromaticContact CZ-CD1 3.84Å; F83-Y452 HydrophobicContact CZ-CD1 3.84Å; F83-Y452 HydrophobicContact CZ-CE1 4.38Å; F83-Y452 AromaticContact CZ-CG 3.98Å; F83-Y452 HydrophobicContact CZ-CG 3.98Å
84	F	98.4	Very high	97.8	Very high	28 Å²	28	47 Å²	47	12%	0.123	26%	0.259	C	S	.	.	H	α-helix	trans	-53.4	-33.4	177.4	-55.8	-16.3	0	0	0	114.1	H82 L187 V188 T189 P192 Y196 V413 F445	H82-F84 VanDerWaalsContact C-N 3.28Å; H82-F84 AromaticContact CE1-CD1 3.86Å; H82-F84 AromaticContact CE1-CD2 3.29Å; H82-F84 WeakPolarHBondContact CE1-CD2 3.37Å; H82-F84 AromaticContact CE1-CE1 3.95Å; H82-F84 AromaticContact CE1-CE2 3.4Å; H82-F84 WeakPolarHBondContact CE1-CE2 3.49Å; H82-F84 AromaticContact CE1-CG 3.52Å; H82-F84 AromaticContact CE1-CZ 3.73Å; H82-F84 AromaticContact ND1-CD2 3.68Å; H82-F84 AromaticContact ND1-CG 3.58Å; H82-F84 PolarHBondContact ND1-N 3.46Å; H82-F84 PolarHBondContact O-N 3.14Å; H82-F84 VanDerWaalsContact O-N 3.1Å; F84-L187 HydrophobicContact CE2-CB 4.41Å; F84-L187 WeakPolarHBondContact CE2-O 3.42Å; F84-L187 HydrophobicContact CZ-CB 3.82Å; F84-L187 WeakPolarHBondContact CZ-O 3.23Å; F84-V188 HydrophobicContact CD1-CG2 4.15Å; F84-V188 HydrophobicContact CE1-CG2 4.14Å; F84-V188 HydrophobicContact CG-CG1 4.44Å; F84-T189 HydrophobicContact CD2-CG2 4.31Å; F84-T189 HydrophobicContact CE2-CG2 4.43Å; F84-P192 HydrophobicContact CD2-CB 3.9Å; F84-P192 HydrophobicContact CD2-CG 3.89Å; F84-P192 HydrophobicContact CE2-CB 4.12Å; F84-Y196 HydrophobicContact CE2-CE2 4.33Å; F84-V413 HydrophobicContact CE1-CG1 4.12Å; F84-V413 HydrophobicContact CE1-CG2 3.7Å; F84-V413 HydrophobicContact CZ-CB 4.47Å; F84-V413 HydrophobicContact CZ-CG1 3.62Å; F84-V413 HydrophobicContact CZ-CG2 3.99Å; F84-F445 WeakPolarHBondContact CE1-O 3.11Å
85	R	97.3	Very high	97.9	Very high	121 Å²	121	43.2 Å²	43.2	46%	0.457	24%	0.236	S	C	.	.	H	α-helix	trans	-91.8	-28.3	176.4	-63.4	-175.3	-77.7	161.8	-3.6	112.2	M81 H82 F83 E193	M81-R85 HydrophobicContact CE-CB 4.38Å; H82-R85 PolarHBondContact O-N 2.97Å; F83-R85 PolarHBondContact O-N 3.2Å; F83-R85 VanDerWaalsContact O-N 3.09Å; R85-E193 IonicContact CZ-OE1 3.3Å; R85-E193 IonicContact NH2-OE1 2.74Å; R85-E193 PolarHBondContact NH2-OE1 2.82Å
86	A	98.1	Very high	98.1	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-76.5	-32	-178.6	0	0	0	0	0	113	P78 M81 H82 F83 S88 L89 I90	P78-A86 HydrophobicContact CB-CB 4Å; P78-A86 VanDerWaalsContact O-CB 3.32Å; P78-A86 WeakPolarHBondContact O-CB 3.22Å; M81-A86 HydrophobicContact CB-CB 4.06Å; H82-A86 PolarHBondContact O-N 2.76Å; H82-A86 VanDerWaalsContact O-N 3.07Å; F83-A86 PolarHBondContact O-N 3.43Å; A86-S88 VanDerWaalsContact C-N 3.31Å; A86-S88 PolarHBondContact O-N 2.76Å; A86-S88 VanDerWaalsContact O-N 3.16Å; A86-L89 WeakPolarHBondContact O-CA 3.45Å; A86-L89 WeakPolarHBondContact O-CB 3.01Å; A86-L89 PolarHBondContact O-N 3.13Å; A86-I90 HydrophobicContact CB-CD1 4.25Å; A86-I90 WeakPolarHBondContact O-CG1 3.44Å; A86-I90 PolarHBondContact O-N 2.64Å
87	K	98.3	Very high	98.1	Very high	56 Å²	56	38.7 Å²	38.7	24%	0.243	20%	0.203	C	C	.	.	H	α-helix	trans	-51.5	-45.6	-169	-175.3	-173	178.9	-63.1	0	113.4	F83 L89 I90 D91 G446 Y452	F83-K87 HydrophobicContact CE1-CB 4.43Å; F83-K87 HydrophobicContact CE1-CD 4.37Å; F83-K87 HydrophobicContact CE1-CG 4.47Å; F83-K87 HydrophobicContact CE2-CB 4.37Å; F83-K87 HydrophobicContact CZ-CB 4.18Å; F83-K87 HydrophobicContact CZ-CD 4.29Å; F83-K87 HydrophobicContact CZ-CG 4.03Å; F83-K87 WeakPolarHBondContact O-CB 3.49Å; F83-K87 PolarHBondContact O-N 2.98Å; K87-L89 PolarHBondContact O-N 2.92Å; K87-I90 WeakPolarHBondContact O-CB 3.31Å; K87-I90 PolarHBondContact O-N 3.34Å; K87-I90 VanDerWaalsContact O-N 3.13Å; K87-D91 IonicContact NZ-OD1 3.32Å; K87-D91 IonicContact NZ-OD2 3.32Å; K87-D91 PolarHBondContact NZ-OD2 3.35Å; K87-D91 VanDerWaalsContact O-CG 3.24Å; K87-D91 PolarHBondContact O-N 3.31Å; K87-G446 WeakPolarHBondContact CD-O 3.33Å; K87-G446 WeakPolarHBondContact CE-O 3.49Å; K87-Y452 WeakPolarHBondContact CE-OH 3.23Å; K87-Y452 HydrophobicContact CG-CE1 3.96Å; K87-Y452 PolarHBondContact NZ-OH 2.91Å; K87-Y452 VanDerWaalsContact NZ-OH 3.08Å
88	S	97.6	Very high	98.1	Very high	67 Å²	67	38.1 Å²	38.1	47%	0.469	20%	0.201	S	C	.	.	H	α-helix	trans	-65.2	-28.5	-179.1	61.2	0	0	0	0	113	A86 Q92	A86-S88 VanDerWaalsContact C-N 3.31Å; A86-S88 PolarHBondContact O-N 2.76Å; A86-S88 VanDerWaalsContact O-N 3.16Å; S88-Q92 WeakPolarHBondContact O-CG 3.38Å; S88-Q92 PolarHBondContact O-NE2 2.8Å
89	L	98.1	Very high	98.1	Very high	60 Å²	60	37.5 Å²	37.5	31%	0.314	20%	0.197	S	C	.	.	H	α-helix	trans	-75.6	-40	172.9	-57.1	175.1	0	0	0	110.8	P78 M81 A86 K87 D91 Q92 S93	P78-L89 HydrophobicContact CB-CB 4.48Å; P78-L89 HydrophobicContact CG-CB 3.88Å; P78-L89 HydrophobicContact CG-CD1 4.37Å; M81-L89 HydrophobicContact CE-CD1 3.96Å; M81-L89 HydrophobicContact SD-CD1 3.87Å; A86-L89 WeakPolarHBondContact O-CA 3.45Å; A86-L89 WeakPolarHBondContact O-CB 3.01Å; A86-L89 PolarHBondContact O-N 3.13Å; K87-L89 PolarHBondContact O-N 2.92Å; L89-D91 VanDerWaalsContact C-N 3.3Å; L89-D91 PolarHBondContact O-N 2.65Å; L89-Q92 PolarHBondContact O-N 2.8Å; L89-Q92 VanDerWaalsContact O-N 3.13Å; L89-S93 PolarHBondContact O-N 3.1Å
90	I	98.6	Very high	98.1	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-61.3	-42.3	174.7	-58.7	173.7	0	0	0	110.3	P78 F83 A86 K87 Q92 S93 F96 Y452 Y455 E456	P78-I90 HydrophobicContact CB-CD1 4.3Å; P78-I90 HydrophobicContact CB-CG1 3.7Å; P78-I90 HydrophobicContact CG-CG1 4.48Å; F83-I90 HydrophobicContact CD2-CD1 4.1Å; F83-I90 HydrophobicContact CE2-CD1 3.92Å; A86-I90 HydrophobicContact CB-CD1 4.25Å; A86-I90 WeakPolarHBondContact O-CG1 3.44Å; A86-I90 PolarHBondContact O-N 2.64Å; K87-I90 WeakPolarHBondContact O-CB 3.31Å; K87-I90 PolarHBondContact O-N 3.34Å; K87-I90 VanDerWaalsContact O-N 3.13Å; I90-Q92 PolarHBondContact O-N 3.25Å; I90-Q92 VanDerWaalsContact O-N 3.09Å; I90-S93 VanDerWaalsContact O-CB 3.31Å; I90-S93 WeakPolarHBondContact O-CB 3.33Å; I90-S93 PolarHBondContact O-N 2.89Å; I90-F96 HydrophobicContact CG2-CB 4.03Å; I90-F96 HydrophobicContact CG2-CD1 4Å; I90-F96 HydrophobicContact CG2-CD2 3.68Å; I90-F96 HydrophobicContact CG2-CE1 4.36Å; I90-F96 HydrophobicContact CG2-CE2 4.07Å; I90-F96 HydrophobicContact CG2-CG 3.64Å; I90-F96 HydrophobicContact CG2-CZ 4.4Å; I90-F96 VanDerWaalsContact O-CB 3.3Å; I90-F96 WeakPolarHBondContact O-CB 3.32Å; I90-F96 WeakPolarHBondContact O-CD1 3.45Å; I90-F96 WeakPolarHBondContact O-CG 3.31Å; I90-Y452 HydrophobicContact CG2-CD1 3.87Å; I90-Y452 HydrophobicContact CG2-CE1 4.11Å; I90-Y455 HydrophobicContact CB-CD1 4.47Å; I90-Y455 HydrophobicContact CB-CE1 4.33Å; I90-Y455 HydrophobicContact CD1-CD1 3.95Å; I90-Y455 HydrophobicContact CD1-CE1 3.97Å; I90-Y455 HydrophobicContact CG1-CD1 3.94Å; I90-Y455 HydrophobicContact CG1-CE1 3.6Å; I90-Y455 HydrophobicContact CG2-CD1 3.75Å; I90-Y455 HydrophobicContact CG2-CD2 4.19Å; I90-Y455 HydrophobicContact CG2-CE1 4.03Å; I90-Y455 HydrophobicContact CG2-CE2 4.41Å; I90-Y455 HydrophobicContact CG2-CG 3.84Å; I90-E456 WeakPolarHBondContact CD1-OE1 3.32Å
91	D	98.3	Very high	98.1	Very high	74 Å²	74	46 Å²	46	40%	0.396	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-21.8	177.5	-70.3	-28	0	0	0	113.1	K87 L89 Y452	K87-D91 IonicContact NZ-OD1 3.32Å; K87-D91 IonicContact NZ-OD2 3.32Å; K87-D91 PolarHBondContact NZ-OD2 3.35Å; K87-D91 VanDerWaalsContact O-CG 3.24Å; K87-D91 PolarHBondContact O-N 3.31Å; L89-D91 VanDerWaalsContact C-N 3.3Å; L89-D91 PolarHBondContact O-N 2.65Å; D91-Y452 VanDerWaalsContact OD1-CE1 3.3Å; D91-Y452 WeakPolarHBondContact OD1-CE1 3.42Å; D91-Y452 PolarHBondContact OD1-OH 3.13Å
92	Q	97.7	Very high	98.1	Very high	147 Å²	147	44 Å²	44	69%	0.687	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93.6	-9.3	177.2	-67	168.3	60.9	0	0	113.4	S88 L89 I90	S88-Q92 WeakPolarHBondContact O-CG 3.38Å; S88-Q92 PolarHBondContact O-NE2 2.8Å; L89-Q92 PolarHBondContact O-N 2.8Å; L89-Q92 VanDerWaalsContact O-N 3.13Å; I90-Q92 PolarHBondContact O-N 3.25Å; I90-Q92 VanDerWaalsContact O-N 3.09Å
93	S	98.2	Very high	98.1	Very high	10 Å²	10	43.3 Å²	43.3	7%	0.07	21%	0.213	C	C	.	.			trans	-70.5	135	-177.3	164.6	0	0	0	0	111.7	E67 L89 I90 V95 F96 S97 Y455	E67-S93 PolarHBondContact OE1-OG 2.79Å; E67-S93 WeakPolarHBondContact OE2-CB 3.49Å; E67-S93 PolarHBondContact OE2-OG 3.26Å; L89-S93 PolarHBondContact O-N 3.1Å; I90-S93 VanDerWaalsContact O-CB 3.31Å; I90-S93 WeakPolarHBondContact O-CB 3.33Å; I90-S93 PolarHBondContact O-N 2.89Å; S93-V95 WeakPolarHBondContact OG-CB 3.3Å; S93-V95 PolarHBondContact OG-N 2.8Å; S93-V95 VanDerWaalsContact OG-N 3.14Å; S93-F96 PolarHBondContact O-N 2.98Å; S93-F96 PolarHBondContact OG-N 2.86Å; S93-S97 PolarHBondContact O-N 2.92Å; S93-S97 VanDerWaalsContact O-N 3.1Å; S93-Y455 WeakPolarHBondContact OG-CE2 3.14Å
94	T	97.3	Very high	98.1	Very high	67 Å²	67	43.3 Å²	43.3	41%	0.411	21%	0.214	S	C	.	.	H	α-helix	trans	-71.5	-37.9	173.4	-58.8	0	0	0	0	109.7	L63 E67 F96 S97 I98	L63-T94 HydrophobicContact CD1-CG2 3.9Å; L63-T94 HydrophobicContact CD2-CG2 4.24Å; E67-T94 PolarHBondContact OE1-N 3.45Å; T94-F96 VanDerWaalsContact C-N 3.32Å; T94-F96 PolarHBondContact O-N 3.46Å; T94-S97 PolarHBondContact O-N 3.3Å; T94-S97 PolarHBondContact O-OG 3.39Å; T94-I98 PolarHBondContact O-N 2.88Å; T94-I98 VanDerWaalsContact O-N 3.15Å
95	V	98.3	Very high	98.2	Very high	0 Å²	0	42 Å²	42	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-57.3	-47.1	173.1	175.7	0	0	0	0	110.5	L60 L63 K64 E67 S93 S97 I98 L99 Y455 F458 M459	L60-V95 HydrophobicContact CD1-CG1 4.25Å; L60-V95 HydrophobicContact CD1-CG2 4.48Å; L63-V95 HydrophobicContact CB-CG2 4.09Å; K64-V95 HydrophobicContact CB-CG2 4.21Å; E67-V95 PolarHBondContact OE1-N 3.34Å; E67-V95 VanDerWaalsContact OE1-N 3.13Å; S93-V95 WeakPolarHBondContact OG-CB 3.3Å; S93-V95 PolarHBondContact OG-N 2.8Å; S93-V95 VanDerWaalsContact OG-N 3.14Å; V95-S97 VanDerWaalsContact C-N 3.35Å; V95-S97 PolarHBondContact O-N 2.98Å; V95-I98 WeakPolarHBondContact O-CB 3.35Å; V95-I98 PolarHBondContact O-N 3.05Å; V95-L99 HydrophobicContact CG1-CD1 4.08Å; V95-L99 HydrophobicContact CG1-CG 4.42Å; V95-L99 WeakPolarHBondContact O-CG 3.38Å; V95-L99 PolarHBondContact O-N 2.94Å; V95-Y455 HydrophobicContact CG1-CD2 4.43Å; V95-F458 HydrophobicContact CG1-CD1 3.76Å; V95-F458 HydrophobicContact CG1-CE1 3.87Å; V95-M459 HydrophobicContact CB-SD 4.32Å; V95-M459 HydrophobicContact CG1-SD 3.83Å; V95-M459 HydrophobicContact CG2-SD 4.32Å
96	F	98.7	Very high	98.2	Very high	5 Å²	5	36.4 Å²	36.4	2%	0.022	19%	0.188	C	C	.	.	H	α-helix	trans	-60.2	-42.7	177	-179.6	-119.6	0	0	0	112.4	I90 S93 T94 I98 L99 K100 Y452 Y455	I90-F96 HydrophobicContact CG2-CB 4.03Å; I90-F96 HydrophobicContact CG2-CD1 4Å; I90-F96 HydrophobicContact CG2-CD2 3.68Å; I90-F96 HydrophobicContact CG2-CE1 4.36Å; I90-F96 HydrophobicContact CG2-CE2 4.07Å; I90-F96 HydrophobicContact CG2-CG 3.64Å; I90-F96 HydrophobicContact CG2-CZ 4.4Å; I90-F96 VanDerWaalsContact O-CB 3.3Å; I90-F96 WeakPolarHBondContact O-CB 3.32Å; I90-F96 WeakPolarHBondContact O-CD1 3.45Å; I90-F96 WeakPolarHBondContact O-CG 3.31Å; S93-F96 PolarHBondContact O-N 2.98Å; S93-F96 PolarHBondContact OG-N 2.86Å; T94-F96 VanDerWaalsContact C-N 3.32Å; T94-F96 PolarHBondContact O-N 3.46Å; F96-I98 PolarHBondContact O-N 2.68Å; F96-L99 PolarHBondContact O-N 3.16Å; F96-L99 VanDerWaalsContact O-N 3.1Å; F96-K100 HydrophobicContact CD1-CD 4.26Å; F96-K100 HydrophobicContact CD1-CG 4.45Å; F96-K100 HydrophobicContact CD2-CG 4.49Å; F96-K100 HydrophobicContact CE1-CD 3.65Å; F96-K100 HydrophobicContact CE1-CG 4.06Å; F96-K100 HydrophobicContact CE2-CG 4.08Å; F96-K100 HydrophobicContact CZ-CD 3.78Å; F96-K100 HydrophobicContact CZ-CG 3.84Å; F96-K100 PolarHBondContact O-N 2.86Å; F96-Y452 HydrophobicContact CE1-CD1 4.43Å; F96-Y452 AromaticContact CE1-CE1 3.82Å; F96-Y452 HydrophobicContact CE1-CE1 3.82Å; F96-Y452 AromaticContact CE2-CD1 3.72Å; F96-Y452 HydrophobicContact CE2-CD1 3.72Å; F96-Y452 HydrophobicContact CE2-CD2 4.4Å; F96-Y452 AromaticContact CE2-CE1 3.95Å; F96-Y452 HydrophobicContact CE2-CE1 3.95Å; F96-Y452 AromaticContact CE2-CG 3.96Å; F96-Y452 HydrophobicContact CE2-CG 3.96Å; F96-Y452 AromaticContact CZ-CD1 3.6Å; F96-Y452 HydrophobicContact CZ-CD1 3.6Å; F96-Y452 HydrophobicContact CZ-CD2 4.11Å; F96-Y452 AromaticContact CZ-CE1 3.32Å; F96-Y452 HydrophobicContact CZ-CE1 3.32Å; F96-Y452 AromaticContact CZ-CE2 3.89Å; F96-Y452 HydrophobicContact CZ-CE2 3.89Å; F96-Y452 AromaticContact CZ-CG 3.98Å; F96-Y452 HydrophobicContact CZ-CG 3.98Å; F96-Y452 AromaticContact CZ-CZ 3.48Å; F96-Y452 VanDerWaalsContact CZ-CZ 3.48Å; F96-Y455 HydrophobicContact CB-CD2 3.78Å; F96-Y455 HydrophobicContact CB-CE2 4.21Å; F96-Y455 HydrophobicContact CD2-CD2 4.39Å; F96-Y455 HydrophobicContact CD2-CG 4.37Å
97	S	97.9	Very high	98.3	Very high	58 Å²	58	36.4 Å²	36.4	41%	0.406	19%	0.188	S	C	.	.	H	α-helix	trans	-58.7	-35.8	177.4	82.4	0	0	0	0	113.1	S93 T94 V95	S93-S97 PolarHBondContact O-N 2.92Å; S93-S97 VanDerWaalsContact O-N 3.1Å; T94-S97 PolarHBondContact O-N 3.3Å; T94-S97 PolarHBondContact O-OG 3.39Å; V95-S97 VanDerWaalsContact C-N 3.35Å; V95-S97 PolarHBondContact O-N 2.98Å
98	I	97.9	Very high	98.3	Very high	5 Å²	5	33.8 Å²	33.8	3%	0.026	18%	0.176	C	C	.	.	H	α-helix	trans	-69.8	-45.8	174.8	-67.2	167.2	0	0	0	110.1	L60 L63 T94 V95 F96 K100 R101 M102 F503 L507 F511	L60-I98 HydrophobicContact CD1-CD1 4.03Å; L60-I98 HydrophobicContact CD1-CG2 4.28Å; L63-I98 HydrophobicContact CD1-CD1 3.73Å; T94-I98 PolarHBondContact O-N 2.88Å; T94-I98 VanDerWaalsContact O-N 3.15Å; V95-I98 WeakPolarHBondContact O-CB 3.35Å; V95-I98 PolarHBondContact O-N 3.05Å; F96-I98 PolarHBondContact O-N 2.68Å; I98-K100 VanDerWaalsContact C-N 3.29Å; I98-K100 PolarHBondContact O-N 3.21Å; I98-R101 PolarHBondContact O-N 3.04Å; I98-R101 VanDerWaalsContact O-N 3.08Å; I98-M102 PolarHBondContact O-N 3.38Å; I98-M102 VanDerWaalsContact O-N 3.13Å; I98-F503 HydrophobicContact CG2-CE2 4.08Å; I98-F503 HydrophobicContact CG2-CZ 3.84Å; I98-L507 HydrophobicContact CG1-CD2 4.48Å; I98-L507 HydrophobicContact CG2-CD1 3.85Å; I98-F511 HydrophobicContact CD1-CZ 3.99Å
99	L	98.4	Very high	98.4	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-62.2	-34.2	179.2	-67	175.8	0	0	0	112.8	V95 F96 R101 M102 K104 Y455 F458 L471	V95-L99 HydrophobicContact CG1-CD1 4.08Å; V95-L99 HydrophobicContact CG1-CG 4.42Å; V95-L99 WeakPolarHBondContact O-CG 3.38Å; V95-L99 PolarHBondContact O-N 2.94Å; F96-L99 PolarHBondContact O-N 3.16Å; F96-L99 VanDerWaalsContact O-N 3.1Å; L99-R101 VanDerWaalsContact C-N 3.3Å; L99-R101 PolarHBondContact O-N 3.05Å; L99-M102 HydrophobicContact CD2-CE 4.28Å; L99-M102 HydrophobicContact CD2-SD 4.32Å; L99-M102 WeakPolarHBondContact O-CB 3.2Å; L99-M102 PolarHBondContact O-N 2.7Å; L99-K104 PolarHBondContact O-NZ 2.99Å; L99-Y455 HydrophobicContact CD1-CD2 4.33Å; L99-F458 HydrophobicContact CD1-CB 4.43Å; L99-F458 HydrophobicContact CD1-CD1 4.48Å; L99-L471 HydrophobicContact CD2-CD1 3.64Å; L99-L471 HydrophobicContact CD2-CD2 3.69Å; L99-L471 HydrophobicContact CD2-CG 4.33Å
100	K	97.9	Very high	98.4	Very high	102 Å²	102	27.7 Å²	27.7	44%	0.443	14%	0.139	S	C	.	.	H	α-helix	trans	-58.9	-40	172.2	-76.3	-166.6	70.2	172.8	0	112.8	F96 I98 K104 S451	F96-K100 HydrophobicContact CD1-CD 4.26Å; F96-K100 HydrophobicContact CD1-CG 4.45Å; F96-K100 HydrophobicContact CD2-CG 4.49Å; F96-K100 HydrophobicContact CE1-CD 3.65Å; F96-K100 HydrophobicContact CE1-CG 4.06Å; F96-K100 HydrophobicContact CE2-CG 4.08Å; F96-K100 HydrophobicContact CZ-CD 3.78Å; F96-K100 HydrophobicContact CZ-CG 3.84Å; F96-K100 PolarHBondContact O-N 2.86Å; I98-K100 VanDerWaalsContact C-N 3.29Å; I98-K100 PolarHBondContact O-N 3.21Å; K100-K104 PolarHBondContact O-NZ 3.49Å; K100-S451 WeakPolarHBondContact CA-OG 3.42Å
101	R	97.9	Very high	98.4	Very high	107 Å²	107	28.7 Å²	28.7	40%	0.404	14%	0.144	S	C	.	.	H	α-helix	trans	-77.1	-24.5	179.7	-65.9	170.1	61	-174	-3.5	112.8	I98 L99 N238 F503	I98-R101 PolarHBondContact O-N 3.04Å; I98-R101 VanDerWaalsContact O-N 3.08Å; L99-R101 VanDerWaalsContact C-N 3.3Å; L99-R101 PolarHBondContact O-N 3.05Å; R101-N238 PolarHBondContact O-ND2 2.99Å; R101-F503 HydrophobicContact CB-CD2 4.21Å; R101-F503 HydrophobicContact CB-CE2 4.2Å
102	M	98.7	Very high	98.1	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	13%	0.126	C	C	.	.	S	Bend	trans	-63	132.9	-176.1	-171.7	-179.2	75.1	0	0	112	I98 L99 K104 F454 L471 W500 F503	I98-M102 PolarHBondContact O-N 3.38Å; I98-M102 VanDerWaalsContact O-N 3.13Å; L99-M102 HydrophobicContact CD2-CE 4.28Å; L99-M102 HydrophobicContact CD2-SD 4.32Å; L99-M102 WeakPolarHBondContact O-CB 3.2Å; L99-M102 PolarHBondContact O-N 2.7Å; M102-K104 HydrophobicContact CE-CD 4.31Å; M102-K104 HydrophobicContact CE-CG 3.43Å; M102-K104 VanDerWaalsContact CE-CG 3.43Å; M102-K104 PolarHBondContact O-N 3.43Å; M102-K104 VanDerWaalsContact O-N 3.11Å; M102-K104 PolarHBondContact O-NZ 3.31Å; M102-F454 HydrophobicContact CE-CD1 3.6Å; M102-F454 HydrophobicContact CE-CE1 3.62Å; M102-F454 HydrophobicContact CE-CG 4.4Å; M102-F454 HydrophobicContact CE-CZ 4.45Å; M102-L471 HydrophobicContact CE-CB 4.22Å; M102-L471 HydrophobicContact CE-CD2 4.2Å; M102-L471 HydrophobicContact SD-CB 3.7Å; M102-L471 HydrophobicContact SD-CD1 4Å; M102-L471 HydrophobicContact SD-CD2 4.4Å; M102-L471 HydrophobicContact SD-CG 4.26Å; M102-W500 HydrophobicContact CG-CE3 4.49Å; M102-W500 HydrophobicContact CG-CZ3 3.87Å; M102-W500 HydrophobicContact SD-CZ3 4Å; M102-F503 HydrophobicContact CB-CD2 4.4Å; M102-F503 HydrophobicContact CB-CE1 4.43Å; M102-F503 HydrophobicContact CB-CE2 3.85Å; M102-F503 HydrophobicContact CB-CZ 3.87Å; M102-F503 HydrophobicContact CG-CE1 4.11Å; M102-F503 HydrophobicContact CG-CE2 4.41Å; M102-F503 HydrophobicContact CG-CZ 4.03Å
103	P	98.8	Very high	98	Very high	2 Å²	2	19.2 Å²	19.2	1%	0.013	10%	0.096	C	C	.	.			trans	-72.4	104.6	170.6	28.7	-31.5	0	0	0	109.6	G105 N238 W496 K499 W500 F503	P103-G105 VanDerWaalsContact C-N 3.29Å; P103-G105 PolarHBondContact O-N 3.3Å; P103-N238 WeakPolarHBondContact CA-ND2 3.47Å; P103-W496 PolarHBondContact O-NE1 2.89Å; P103-K499 HydrophobicContact CB-CB 3.71Å; P103-K499 HydrophobicContact CB-CD 4.4Å; P103-K499 HydrophobicContact CG-CB 3.93Å; P103-W500 HydrophobicContact CG-CB 4.19Å; P103-W500 HydrophobicContact CG-CE3 4.11Å; P103-F503 HydrophobicContact CG-CB 4.43Å
104	K	98.8	Very high	97.9	Very high	1 Å²	1	18.8 Å²	18.8	0%	0.004	9%	0.093	C	C	.	.			trans	-84.9	-4.2	-172.2	-74.6	165.5	-64	-77.5	0	113.2	L99 K100 M102 A106 D237 N238 I239 V450 S451 F454 A475 S478	L99-K104 PolarHBondContact O-NZ 2.99Å; K100-K104 PolarHBondContact O-NZ 3.49Å; M102-K104 HydrophobicContact CE-CD 4.31Å; M102-K104 HydrophobicContact CE-CG 3.43Å; M102-K104 VanDerWaalsContact CE-CG 3.43Å; M102-K104 PolarHBondContact O-N 3.43Å; M102-K104 VanDerWaalsContact O-N 3.11Å; M102-K104 PolarHBondContact O-NZ 3.31Å; K104-A106 PolarHBondContact O-N 3.49Å; K104-D237 WeakPolarHBondContact CE-O 3.5Å; K104-D237 WeakPolarHBondContact CE-OD2 3.41Å; K104-D237 PolarHBondContact NZ-O 3.37Å; K104-D237 IonicContact NZ-OD1 2.7Å; K104-N238 PolarHBondContact N-O 2.73Å; K104-I239 HydrophobicContact CB-CD1 3.56Å; K104-V450 HydrophobicContact CB-CG1 4.41Å; K104-V450 HydrophobicContact CD-CG1 3.86Å; K104-S451 WeakPolarHBondContact CE-OG 3.42Å; K104-S451 PolarHBondContact NZ-OG 3.16Å; K104-F454 HydrophobicContact CB-CE2 3.91Å; K104-F454 HydrophobicContact CB-CZ 4Å; K104-F454 HydrophobicContact CD-CB 4.49Å; K104-F454 HydrophobicContact CD-CD2 3.68Å; K104-F454 HydrophobicContact CD-CE2 3.96Å; K104-F454 HydrophobicContact CD-CG 4.01Å; K104-F454 HydrophobicContact CG-CD1 4.38Å; K104-F454 HydrophobicContact CG-CD2 4.02Å; K104-F454 HydrophobicContact CG-CE1 4.23Å; K104-F454 HydrophobicContact CG-CE2 3.85Å; K104-F454 HydrophobicContact CG-CG 4.28Å; K104-F454 HydrophobicContact CG-CZ 3.95Å; K104-A475 WeakPolarHBondContact O-CA 3.39Å; K104-S478 PolarHBondContact O-OG 2.81Å
105	G	98.8	Very high	97.8	Very high	1 Å²	1	15.9 Å²	15.9	1%	0.01	8%	0.075	C	C	.	.	E	Extended strand (participates in β ladder)	trans	84.8	-105.8	178.8	0	0	0	0	0	111.1	P103 Q240	P103-G105 VanDerWaalsContact C-N 3.29Å; P103-G105 PolarHBondContact O-N 3.3Å; G105-Q240 WeakPolarHBondContact O-CG 3.37Å; G105-Q240 PolarHBondContact O-N 3.28Å
106	A	98.9	Very high	97.8	Very high	3 Å²	3	16 Å²	16	3%	0.025	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	150.9	-173.5	0	0	0	0	0	113	K104 L108 Y241 S478	K104-A106 PolarHBondContact O-N 3.49Å; A106-L108 HydrophobicContact CB-CD2 3.91Å; A106-L108 HydrophobicContact CB-CG 4.33Å; A106-Y241 CarbonylContact C-O 3.36Å; A106-Y241 VanDerWaalsContact CA-O 3.23Å; A106-Y241 WeakPolarHBondContact CA-O 3.31Å; A106-Y241 HydrophobicContact CB-CD1 3.69Å; A106-Y241 HydrophobicContact CB-CG 4.39Å; A106-S478 PolarHBondContact N-OG 3.36Å; A106-S478 WeakPolarHBondContact O-CB 3.47Å
107	V	98.9	Very high	97.7	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	119.2	163.8	169.6	0	0	0	0	108.5	L110 L234 I239 Y241 V242 E243 P439 V450	V107-L110 HydrophobicContact CG1-CB 3.85Å; V107-L110 HydrophobicContact CG1-CD2 4.2Å; V107-L110 HydrophobicContact CG1-CG 4.46Å; V107-L234 HydrophobicContact CG2-CD2 4.13Å; V107-I239 HydrophobicContact CG2-CD1 3.96Å; V107-I239 HydrophobicContact CG2-CG1 3.98Å; V107-I239 HydrophobicContact CG2-CG2 4.12Å; V107-Y241 PolarHBondContact N-O 2.92Å; V107-V242 HydrophobicContact CB-CG2 4.1Å; V107-V242 HydrophobicContact CG1-CG2 4.21Å; V107-V242 CarbonylContact O-C 3.53Å; V107-V242 VanDerWaalsContact O-CA 3.29Å; V107-V242 WeakPolarHBondContact O-CA 3.11Å; V107-E243 PolarHBondContact O-N 2.86Å; V107-P439 HydrophobicContact CG1-CG 4.24Å; V107-V450 HydrophobicContact CG2-CB 4.03Å; V107-V450 HydrophobicContact CG2-CG1 3.98Å; V107-V450 HydrophobicContact CG2-CG2 4.45Å
108	L	98.9	Very high	97.6	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	7%	0.066	C	C	.	.			trans	-112	0.3	-172.7	-63.3	-168.2	0	0	0	113.8	A106 Y241 E243 R245 R380 V436 S438 S478	A106-L108 HydrophobicContact CB-CD2 3.91Å; A106-L108 HydrophobicContact CB-CG 4.33Å; L108-Y241 HydrophobicContact CD2-CD1 4.25Å; L108-Y241 HydrophobicContact CD2-CE1 4.01Å; L108-E243 HydrophobicContact CD2-CB 4.47Å; L108-E243 HydrophobicContact CD2-CG 4.08Å; L108-R245 PolarHBondContact O-NH1 2.96Å; L108-R380 PolarHBondContact O-NH2 2.57Å; L108-V436 HydrophobicContact CB-CG2 4.33Å; L108-V436 HydrophobicContact CD1-CB 4.48Å; L108-V436 HydrophobicContact CD1-CG1 4.14Å; L108-V436 HydrophobicContact CD1-CG2 4.28Å; L108-S438 PolarHBondContact N-OG 2.84Å; L108-S478 WeakPolarHBondContact CD1-O 3.33Å
109	H	98.9	Very high	97.6	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	9%	0.086	C	C	.	.	S	Bend	trans	-142.8	105.3	175.4	-165.1	116.7	0	0	0	110.3	H111 H355 H383 E405 S438 D440	H109-H111 AromaticContact CD2-NE2 3.97Å; H109-H111 AromaticContact NE2-NE2 3.58Å; H109-H355 AromaticContact CE1-CD2 3.84Å; H109-H355 AromaticContact CE1-CE1 3.3Å; H109-H355 PolarHBondContact CE1-CE1 3.3Å; H109-H355 AromaticContact CE1-ND1 3.96Å; H109-H355 AromaticContact CE1-NE2 3.23Å; H109-H355 PolarHBondContact CE1-NE2 3.32Å; H109-H355 AromaticContact NE2-CE1 3.49Å; H109-H355 PolarHBondContact NE2-CE1 3.31Å; H109-H355 AromaticContact NE2-NE2 3.15Å; H109-H355 PolarHBondContact NE2-NE2 2.83Å; H109-H355 VanDerWaalsContact NE2-NE2 3.15Å; H109-H383 AromaticContact CE1-NE2 3.69Å; H109-H383 AromaticContact NE2-CE1 3.91Å; H109-H383 AromaticContact NE2-NE2 3.57Å; H109-E405 HydrophobicContact CB-CB 3.89Å; H109-E405 HydrophobicContact CB-CG 4.29Å; H109-E405 IonicContact CE1-OE2 3.33Å; H109-E405 IonicContact CG-OE2 3.54Å; H109-E405 IonicContact ND1-OE2 3.68Å; H109-E405 PolarHBondContact ND1-OE2 3.29Å; H109-S438 PolarHBondContact N-OG 2.84Å; H109-S438 VanDerWaalsContact N-OG 3.14Å; H109-S438 WeakPolarHBondContact O-CB 3.3Å; H109-D440 IonicContact CD2-OD1 2.83Å; H109-D440 PolarHBondContact CD2-OD1 3.34Å; H109-D440 VanDerWaalsContact CD2-OD1 3.32Å; H109-D440 IonicContact NE2-OD1 2.69Å; H109-D440 PolarHBondContact NE2-OD1 3.35Å; H109-D440 PolarHBondContact O-N 3.36Å
110	L	98.8	Very high	97.6	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	9%	0.093	C	C	.	.	B	Isolated β-bridge	trans	-160.7	143.4	-171.5	-173	64.9	0	0	0	109.6	V107 I115 L234 V242 I244 R245 P439 D440 P442	V107-L110 HydrophobicContact CG1-CB 3.85Å; V107-L110 HydrophobicContact CG1-CD2 4.2Å; V107-L110 HydrophobicContact CG1-CG 4.46Å; L110-I115 HydrophobicContact CD1-CG2 4.01Å; L110-I115 HydrophobicContact CD2-CB 3.99Å; L110-I115 HydrophobicContact CD2-CG2 3.39Å; L110-I115 HydrophobicContact CG-CB 4.42Å; L110-I115 HydrophobicContact CG-CG2 3.48Å; L110-I115 VanDerWaalsContact CG-CG2 3.48Å; L110-L234 HydrophobicContact CD2-CD1 3.84Å; L110-V242 HydrophobicContact CD2-CG2 3.65Å; L110-I244 HydrophobicContact CD2-CG1 4.32Å; L110-I244 CarbonylContact O-C 3.55Å; L110-I244 WeakPolarHBondContact O-CA 3.37Å; L110-R245 PolarHBondContact O-N 3.46Å; L110-P439 HydrophobicContact CD1-CG 4.1Å; L110-D440 WeakPolarHBondContact CA-O 3.35Å; L110-D440 WeakPolarHBondContact CD1-O 3.36Å; L110-P442 HydrophobicContact CD1-CG 4.17Å
111	H	98.8	Very high	97.6	Very high	21 Å²	21	15.4 Å²	15.4	10%	0.097	7%	0.073	C	C	.	.	B	Isolated β-bridge	trans	-111.3	140.6	-176.3	-68.7	-115.3	0	0	0	112.4	H109 Y113 A114 I115 R245 H355 D440 D441	H109-H111 AromaticContact CD2-NE2 3.97Å; H109-H111 AromaticContact NE2-NE2 3.58Å; H111-Y113 PolarHBondContact O-N 3.01Å; H111-A114 PolarHBondContact O-N 3.01Å; H111-I115 WeakPolarHBondContact O-CG2 3.44Å; H111-R245 WeakPolarHBondContact CA-O 3.32Å; H111-H355 AromaticContact CE1-CE1 3.56Å; H111-H355 AromaticContact CE1-NE2 3.6Å; H111-H355 AromaticContact NE2-CE1 3.45Å; H111-H355 PolarHBondContact NE2-CE1 3.44Å; H111-H355 AromaticContact NE2-NE2 3.42Å; H111-H355 PolarHBondContact NE2-NE2 3.36Å; H111-D440 IonicContact CD2-OD1 2.92Å; H111-D440 PolarHBondContact CD2-OD1 3.19Å; H111-D440 PolarHBondContact N-O 2.85Å; H111-D440 IonicContact NE2-OD1 3.74Å; H111-D440 PolarHBondContact NE2-OD1 2.78Å; H111-D441 VanDerWaalsContact CB-OD1 3.3Å; H111-D441 WeakPolarHBondContact CB-OD1 3.38Å; H111-D441 IonicContact CG-OD1 3.47Å
112	D	92.9	Very high	97.6	Very high	6 Å²	6	10.3 Å²	10.3	3%	0.032	5%	0.053	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.5	-31.7	-165.2	60.8	-2.3	0	0	0	115.7	Y226 I244 R245 A246 L247 Y268	D112-Y226 WeakPolarHBondContact O-CE1 3.18Å; D112-I244 HydrophobicContact CB-CG2 3.91Å; D112-R245 PolarHBondContact N-O 3.11Å; D112-A246 HydrophobicContact CB-CB 3.85Å; D112-A246 WeakPolarHBondContact OD2-CA 3.15Å; D112-A246 WeakPolarHBondContact OD2-CB 3.42Å; D112-L247 PolarHBondContact OD2-N 3.47Å; D112-L247 VanDerWaalsContact OD2-N 3.11Å; D112-Y268 WeakPolarHBondContact CB-OH 3.34Å
113	Y	94.1	Very high	97.6	Very high	15 Å²	15	15.1 Å²	15.1	6%	0.059	7%	0.072	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.6	14.7	-177.7	-68.3	-1.3	0	0	0	114.2	H111 I217 C218 Y226 P249	H111-Y113 PolarHBondContact O-N 3.01Å; Y113-I217 HydrophobicContact CD1-CB 4.36Å; Y113-I217 HydrophobicContact CD1-CD1 4Å; Y113-I217 HydrophobicContact CD1-CG2 3.71Å; Y113-I217 HydrophobicContact CD2-CD1 4.46Å; Y113-I217 HydrophobicContact CE1-CB 4.32Å; Y113-I217 HydrophobicContact CE1-CG2 3.53Å; Y113-I217 HydrophobicContact CG-CD1 3.85Å; Y113-I217 HydrophobicContact CG-CG2 4.47Å; Y113-C218 PolarHBondContact OH-SG 3.4Å; Y113-Y226 PolarHBondContact O-OH 3.35Å; Y113-Y226 VanDerWaalsContact O-OH 3.08Å; Y113-P249 HydrophobicContact CE2-CG 3.87Å; Y113-P249 WeakPolarHBondContact OH-CD 3.36Å; Y113-P249 WeakPolarHBondContact OH-CG 3.27Å
114	A	95.8	Very high	97.5	Very high	1 Å²	1	19 Å²	19	1%	0.008	9%	0.093	C	C	.	.	S	Bend	trans	-136.7	39.8	175.8	0	0	0	0	0	112.1	H111 F210 Y226 D441 P442 P443 I444	H111-A114 PolarHBondContact O-N 3.01Å; A114-F210 HydrophobicContact CB-CE1 4.16Å; A114-Y226 PolarHBondContact N-OH 2.83Å; A114-D441 HydrophobicContact CB-CB 3.6Å; A114-D441 WeakPolarHBondContact CB-OD1 3.17Å; A114-P442 WeakPolarHBondContact O-CD 3.31Å; A114-P443 WeakPolarHBondContact O-CD 3.5Å; A114-I444 HydrophobicContact CB-CD1 3.92Å; A114-I444 HydrophobicContact CB-CG1 4.06Å
115	I	95.4	Very high	97.5	Very high	7 Å²	7	18.9 Å²	18.9	4%	0.036	9%	0.092	C	C	.	.	S	Bend	trans	-103.7	-11.1	179.7	68	175.9	0	0	0	113.8	L110 H111 Y226 F227 G230 I244	L110-I115 HydrophobicContact CD1-CG2 4.01Å; L110-I115 HydrophobicContact CD2-CB 3.99Å; L110-I115 HydrophobicContact CD2-CG2 3.39Å; L110-I115 HydrophobicContact CG-CB 4.42Å; L110-I115 HydrophobicContact CG-CG2 3.48Å; L110-I115 VanDerWaalsContact CG-CG2 3.48Å; H111-I115 WeakPolarHBondContact O-CG2 3.44Å; I115-Y226 HydrophobicContact CD1-CD1 4.42Å; I115-Y226 HydrophobicContact CD1-CE1 4.1Å; I115-Y226 HydrophobicContact CG1-CD1 4.28Å; I115-Y226 HydrophobicContact CG1-CE1 3.56Å; I115-Y226 PolarHBondContact N-OH 3.21Å; I115-F227 HydrophobicContact CD1-CD2 3.66Å; I115-F227 HydrophobicContact CD1-CE2 4.34Å; I115-G230 WeakPolarHBondContact O-CA 3.41Å; I115-I244 HydrophobicContact CD1-CD1 4.43Å
116	L	98.1	Very high	97.5	Very high	2 Å²	2	18.9 Å²	18.9	1%	0.01	9%	0.092	C	C	.	.	S	Bend	trans	-133.4	135.5	-174.2	173.8	63.6	0	0	0	110.4	W120 Y226 Q229 E233 P443	L116-W120 HydrophobicContact CD1-CB 4.23Å; L116-W120 HydrophobicContact CD2-CB 3.93Å; L116-W120 HydrophobicContact CD2-CD2 3.59Å; L116-W120 HydrophobicContact CD2-CE3 3.48Å; L116-W120 VanDerWaalsContact CD2-CE3 3.48Å; L116-W120 HydrophobicContact CD2-CG 3.78Å; L116-W120 HydrophobicContact CD2-CZ3 4.21Å; L116-W120 HydrophobicContact CG-CB 4.05Å; L116-W120 HydrophobicContact CG-CG 4.4Å; L116-Y226 HydrophobicContact CB-CD2 4.07Å; L116-Y226 HydrophobicContact CB-CE1 4.41Å; L116-Y226 HydrophobicContact CB-CE2 3.6Å; L116-Y226 HydrophobicContact CD2-CD2 3.53Å; L116-Y226 HydrophobicContact CD2-CE2 3.89Å; L116-Y226 HydrophobicContact CD2-CG 4.11Å; L116-Y226 HydrophobicContact CG-CD2 4.3Å; L116-Y226 HydrophobicContact CG-CE2 4.15Å; L116-Y226 PolarHBondContact N-OH 2.84Å; L116-Q229 HydrophobicContact CD1-CB 3.78Å; L116-Q229 HydrophobicContact CD2-CB 3.59Å; L116-Q229 HydrophobicContact CG-CB 4.33Å; L116-E233 HydrophobicContact CD1-CG 3.66Å; L116-P443 WeakPolarHBondContact O-CB 3.46Å; L116-P443 WeakPolarHBondContact O-CG 3.36Å
117	S	97.3	Very high	97.4	Very high	18 Å²	18	24.1 Å²	24.1	13%	0.126	11%	0.112	C	C	.	.			trans	-46.7	135.2	177.3	-60.8	0	0	0	0	112.8	D119 W120 E233	S117-D119 PolarHBondContact O-N 3.09Å; S117-W120 PolarHBondContact O-N 3.42Å; S117-W120 VanDerWaalsContact O-N 3.08Å; S117-E233 WeakPolarHBondContact CB-OE2 3.08Å; S117-E233 PolarHBondContact N-OE2 2.95Å; S117-E233 VanDerWaalsContact OG-CD 3.29Å; S117-E233 PolarHBondContact OG-OE1 2.8Å; S117-E233 PolarHBondContact OG-OE2 2.92Å
118	T	96.4	Very high	97.4	Very high	15 Å²	15	26.8 Å²	26.8	9%	0.092	13%	0.125	C	C	.	.	H	α-helix	trans	-66.3	-23.4	-175.2	53.6	0	0	0	0	113.2	W120 L121 V122 L185 T186 P443	T118-W120 PolarHBondContact O-N 3.28Å; T118-L121 WeakPolarHBondContact O-CB 3.43Å; T118-L121 PolarHBondContact O-N 3.11Å; T118-L121 VanDerWaalsContact O-N 3.09Å; T118-V122 PolarHBondContact O-N 3.28Å; T118-L185 HydrophobicContact CG2-CB 3.91Å; T118-L185 WeakPolarHBondContact CG2-O 3.26Å; T118-T186 HydrophobicContact CG2-CG2 3.73Å; T118-T186 WeakPolarHBondContact OG1-CG2 3.13Å; T118-P443 HydrophobicContact CG2-CB 4.01Å
119	D	96.9	Very high	97.3	Very high	83 Å²	83	30.9 Å²	30.9	44%	0.444	15%	0.152	S	C	.	.	H	α-helix	trans	-51.6	-41	169.2	-67.2	-91.1	0	0	0	112.6	S117 V122 Y123	S117-D119 PolarHBondContact O-N 3.09Å; D119-V122 PolarHBondContact O-N 2.96Å; D119-Y123 HydrophobicContact CB-CD2 4.09Å; D119-Y123 HydrophobicContact CB-CE2 4.41Å; D119-Y123 WeakPolarHBondContact O-CB 3.29Å; D119-Y123 VanDerWaalsContact O-CD2 3.28Å; D119-Y123 WeakPolarHBondContact O-CD2 3.46Å; D119-Y123 PolarHBondContact O-N 3.26Å
120	W	98.3	Very high	97.2	Very high	39 Å²	39	32.8 Å²	32.8	15%	0.148	16%	0.162	C	C	.	.	H	α-helix	trans	-67.6	-39.5	179.2	-173.9	93.2	0	0	0	111.6	L116 S117 T118 N124 A125 V222 A225 Y226 Q229	L116-W120 HydrophobicContact CD1-CB 4.23Å; L116-W120 HydrophobicContact CD2-CB 3.93Å; L116-W120 HydrophobicContact CD2-CD2 3.59Å; L116-W120 HydrophobicContact CD2-CE3 3.48Å; L116-W120 VanDerWaalsContact CD2-CE3 3.48Å; L116-W120 HydrophobicContact CD2-CG 3.78Å; L116-W120 HydrophobicContact CD2-CZ3 4.21Å; L116-W120 HydrophobicContact CG-CB 4.05Å; L116-W120 HydrophobicContact CG-CG 4.4Å; S117-W120 PolarHBondContact O-N 3.42Å; S117-W120 VanDerWaalsContact O-N 3.08Å; T118-W120 PolarHBondContact O-N 3.28Å; W120-N124 HydrophobicContact CD2-CB 4.07Å; W120-N124 HydrophobicContact CG-CB 4.17Å; W120-N124 HydrophobicContact CZ2-CB 4.37Å; W120-N124 WeakPolarHBondContact O-CA 3.2Å; W120-N124 WeakPolarHBondContact O-CB 3.46Å; W120-N124 PolarHBondContact O-N 3.11Å; W120-A125 HydrophobicContact CZ3-CB 4.09Å; W120-A125 PolarHBondContact O-N 2.81Å; W120-V222 HydrophobicContact CH2-CG1 4.17Å; W120-V222 HydrophobicContact CZ3-CG1 3.97Å; W120-A225 HydrophobicContact CH2-CB 3.77Å; W120-A225 HydrophobicContact CZ2-CB 3.81Å; W120-Y226 HydrophobicContact CE3-CD2 4.22Å; W120-Y226 HydrophobicContact CZ3-CD2 4.13Å; W120-Q229 HydrophobicContact CZ2-CG 4.38Å
121	L	98	Very high	97.2	Very high	3 Å²	3	32.9 Å²	32.9	2%	0.016	16%	0.162	C	C	.	.	H	α-helix	trans	-62.4	-46.5	175.4	-71.4	174	0	0	0	110.8	T118 A125 T126 L185 A213 L216 I217 Y226	T118-L121 WeakPolarHBondContact O-CB 3.43Å; T118-L121 PolarHBondContact O-N 3.11Å; T118-L121 VanDerWaalsContact O-N 3.09Å; L121-A125 HydrophobicContact CD2-CB 4.32Å; L121-A125 WeakPolarHBondContact O-CA 3.47Å; L121-A125 WeakPolarHBondContact O-CB 3.5Å; L121-A125 PolarHBondContact O-N 3.49Å; L121-T126 WeakPolarHBondContact O-CG2 3.4Å; L121-T126 PolarHBondContact O-N 3.38Å; L121-L185 HydrophobicContact CB-CD1 4.22Å; L121-A213 HydrophobicContact CD1-CB 4.42Å; L121-L216 HydrophobicContact CB-CD1 4.32Å; L121-L216 HydrophobicContact CD2-CB 4.36Å; L121-I217 HydrophobicContact CD1-CD1 4.26Å; L121-I217 HydrophobicContact CD1-CG1 4.46Å; L121-I217 HydrophobicContact CD2-CD1 4.42Å; L121-I217 HydrophobicContact CD2-CG1 3.79Å; L121-Y226 HydrophobicContact CD1-CE2 4.02Å; L121-Y226 HydrophobicContact CD2-CD2 3.69Å; L121-Y226 HydrophobicContact CD2-CE2 3.9Å; L121-Y226 HydrophobicContact CG-CD2 4.23Å; L121-Y226 HydrophobicContact CG-CE2 4Å
122	V	98.1	Very high	97.1	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-69.6	-59.9	-179.2	176.5	0	0	0	0	110.7	T118 D119 N124 T126 Y127 D178 L181 L182 L185	T118-V122 PolarHBondContact O-N 3.28Å; D119-V122 PolarHBondContact O-N 2.96Å; V122-N124 PolarHBondContact O-N 3.26Å; V122-T126 PolarHBondContact O-OG1 3.42Å; V122-Y127 WeakPolarHBondContact O-CD2 3.22Å; V122-D178 HydrophobicContact CG1-CB 3.89Å; V122-L181 HydrophobicContact CG1-CB 4.3Å; V122-L181 HydrophobicContact CG2-CB 3.93Å; V122-L182 HydrophobicContact CB-CD2 3.89Å; V122-L182 HydrophobicContact CB-CG 4.27Å; V122-L182 HydrophobicContact CG1-CG 4.37Å; V122-L182 HydrophobicContact CG2-CD2 3.54Å; V122-L182 HydrophobicContact CG2-CG 3.9Å; V122-L185 HydrophobicContact CG2-CD1 3.69Å
123	Y	97.9	Very high	97.3	Very high	100 Å²	100	32.8 Å²	32.8	39%	0.392	16%	0.161	S	C	.	.	H	α-helix	trans	-81.5	-12.1	-170	-60.9	-64.1	0	0	0	114.5	D119 Y127 D178 L182	D119-Y123 HydrophobicContact CB-CD2 4.09Å; D119-Y123 HydrophobicContact CB-CE2 4.41Å; D119-Y123 WeakPolarHBondContact O-CB 3.29Å; D119-Y123 VanDerWaalsContact O-CD2 3.28Å; D119-Y123 WeakPolarHBondContact O-CD2 3.46Å; D119-Y123 PolarHBondContact O-N 3.26Å; Y123-Y127 HydrophobicContact CD1-CE2 4.38Å; Y123-D178 HydrophobicContact CE1-CB 3.86Å; Y123-L182 HydrophobicContact CE2-CD1 3.99Å
124	N	98.2	Very high	97.3	Very high	83 Å²	83	32.1 Å²	32.1	44%	0.444	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	-112.9	-65.5	176.1	-143.4	-78	0	0	0	111.3	W120 V122 T126 Y127 M128	W120-N124 HydrophobicContact CD2-CB 4.07Å; W120-N124 HydrophobicContact CG-CB 4.17Å; W120-N124 HydrophobicContact CZ2-CB 4.37Å; W120-N124 WeakPolarHBondContact O-CA 3.2Å; W120-N124 WeakPolarHBondContact O-CB 3.46Å; W120-N124 PolarHBondContact O-N 3.11Å; V122-N124 PolarHBondContact O-N 3.26Å; N124-T126 PolarHBondContact O-N 3.44Å; N124-Y127 PolarHBondContact O-N 3.38Å; N124-M128 PolarHBondContact O-N 2.7Å
125	A	97.9	Very high	97.3	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	17%	0.173	C	C	.	.	G	3₁₀ helix	trans	-64.7	-45.3	-171.9	0	0	0	0	0	112.3	W120 L121 Y127 M128 F145 V222	W120-A125 HydrophobicContact CZ3-CB 4.09Å; W120-A125 PolarHBondContact O-N 2.81Å; L121-A125 HydrophobicContact CD2-CB 4.32Å; L121-A125 WeakPolarHBondContact O-CA 3.47Å; L121-A125 WeakPolarHBondContact O-CB 3.5Å; L121-A125 PolarHBondContact O-N 3.49Å; A125-Y127 PolarHBondContact O-N 3.18Å; A125-M128 WeakPolarHBondContact O-CB 3.45Å; A125-M128 PolarHBondContact O-N 2.77Å; A125-M128 VanDerWaalsContact O-N 3.11Å; A125-F145 WeakPolarHBondContact O-CZ 3.33Å; A125-V222 HydrophobicContact CB-CG1 4.04Å; A125-V222 HydrophobicContact CB-CG2 4.25Å
126	T	98.3	Very high	97.1	Very high	1 Å²	1	35.7 Å²	35.7	1%	0.006	18%	0.175	C	C	.	.	G	3₁₀ helix	trans	-71.7	-9.9	-179.6	78.1	0	0	0	0	114.1	L121 V122 N124 F143 L164 R168 L181 L216	L121-T126 WeakPolarHBondContact O-CG2 3.4Å; L121-T126 PolarHBondContact O-N 3.38Å; V122-T126 PolarHBondContact O-OG1 3.42Å; N124-T126 PolarHBondContact O-N 3.44Å; T126-F143 HydrophobicContact CG2-CE1 4.07Å; T126-F143 HydrophobicContact CG2-CZ 4.3Å; T126-L164 HydrophobicContact CG2-CD1 4.47Å; T126-R168 PolarHBondContact O-NH1 2.99Å; T126-R168 PolarHBondContact OG1-NH2 3.37Å; T126-L181 HydrophobicContact CG2-CD1 4.43Å; T126-L216 HydrophobicContact CG2-CD1 3.69Å; T126-L216 HydrophobicContact CG2-CD2 3.93Å; T126-L216 HydrophobicContact CG2-CG 4.49Å
127	Y	98.3	Very high	96.7	Very high	113 Å²	113	43.8 Å²	43.8	44%	0.443	21%	0.206	S	C	.	.	G	3₁₀ helix	trans	-92.8	-6.2	173.7	-83.3	-91.8	0	0	0	113.1	V122 Y123 N124 A125 R168 D178	V122-Y127 WeakPolarHBondContact O-CD2 3.22Å; Y123-Y127 HydrophobicContact CD1-CE2 4.38Å; N124-Y127 PolarHBondContact O-N 3.38Å; A125-Y127 PolarHBondContact O-N 3.18Å; Y127-R168 PolarHBondContact OH-NE 2.73Å; Y127-D178 WeakPolarHBondContact CE2-OD2 3.21Å; Y127-D178 PolarHBondContact OH-OD2 2.88Å
128	M	98.1	Very high	96.1	Very high	55 Å²	55	46.7 Å²	46.7	27%	0.271	22%	0.223	S	C	.	.	S	Bend	trans	-68.2	148.9	174.5	-69.8	176.1	68.6	0	0	111.7	N124 A125 C131 F145 Y219 V222	N124-M128 PolarHBondContact O-N 2.7Å; A125-M128 WeakPolarHBondContact O-CB 3.45Å; A125-M128 PolarHBondContact O-N 2.77Å; A125-M128 VanDerWaalsContact O-N 3.11Å; M128-C131 WeakPolarHBondContact O-CB 3.05Å; M128-F145 HydrophobicContact CB-CE1 3.73Å; M128-F145 HydrophobicContact CB-CZ 4.2Å; M128-Y219 HydrophobicContact CE-CE1 3.92Å; M128-V222 HydrophobicContact CE-CG2 4.05Å; M128-V222 HydrophobicContact SD-CG2 3.52Å; M128-V222 VanDerWaalsContact SD-CG2 3.52Å
129	P	97.4	Very high	95.6	Very high	86 Å²	86	49.1 Å²	49.1	56%	0.558	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.6	152.4	-179	28.2	-36.3	0	0	0	111.9	C131	P129-C131 PolarHBondContact O-N 3.21Å
130	N	97.3	Very high	95.3	Very high	40 Å²	40	45.8 Å²	45.8	21%	0.214	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	64.8	19.4	-179.8	-38.1	-80.4	0	0	0	114.6	Y132 F145 S146 L254	N130-Y132 WeakPolarHBondContact O-CD2 3.1Å; N130-F145 WeakPolarHBondContact O-CA 3.33Å; N130-S146 WeakPolarHBondContact CB-O 3.27Å; N130-S146 PolarHBondContact O-N 3.48Å; N130-L254 HydrophobicContact CB-CD2 4.16Å
131	C	97.9	Very high	95.1	Very high	2 Å²	2	44.2 Å²	44.2	1%	0.014	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	117.7	172.1	-161.5	0	0	0	0	110.1	M128 P129 F145 L164	M128-C131 WeakPolarHBondContact O-CB 3.05Å; P129-C131 PolarHBondContact O-N 3.21Å; C131-F145 HydrophobicContact CB-CD1 3.91Å; C131-F145 HydrophobicContact CB-CE1 3.46Å; C131-F145 VanDerWaalsContact CB-CE1 3.46Å; C131-F145 HydrophobicContact CB-CZ 3.9Å; C131-F145 VanDerWaalsContact SG-CZ 3.55Å; C131-L164 HydrophobicContact CB-CD1 4.06Å; C131-L164 WeakPolarHBondContact O-CB 3.45Å; C131-L164 PolarHBondContact O-N 3.21Å
132	Y	97.3	Very high	95	Very high	26 Å²	26	45.1 Å²	45.1	10%	0.102	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	145.1	175.4	-69.1	-100.1	0	0	0	110.6	N130 F143 R144 S146 P150 P151 W161 V162 L163	N130-Y132 WeakPolarHBondContact O-CD2 3.1Å; Y132-F143 VanDerWaalsContact O-CA 3.32Å; Y132-F143 WeakPolarHBondContact O-CA 3.5Å; Y132-R144 WeakPolarHBondContact CB-O 3.46Å; Y132-R144 PolarHBondContact N-O 3Å; Y132-R144 PolarHBondContact O-N 2.66Å; Y132-S146 WeakPolarHBondContact CE2-O 3.22Å; Y132-P150 HydrophobicContact CD1-CB 4.43Å; Y132-P150 HydrophobicContact CE1-CB 4.04Å; Y132-P150 HydrophobicContact CE1-CG 3.99Å; Y132-P151 HydrophobicContact CG-CG 4.48Å; Y132-W161 HydrophobicContact CD1-CB 3.99Å; Y132-V162 CarbonylContact C-O 3.5Å; Y132-V162 VanDerWaalsContact CA-O 3.28Å; Y132-V162 WeakPolarHBondContact CA-O 3.48Å; Y132-L163 HydrophobicContact CD1-CB 4.29Å; Y132-L163 HydrophobicContact CD2-CD1 4.3Å; Y132-L163 HydrophobicContact CE1-CB 4Å; Y132-L163 HydrophobicContact CE1-CD1 4.34Å; Y132-L163 HydrophobicContact CE2-CD1 3.97Å
133	I	96.4	Very high	94.9	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	146	169.6	-170.9	171	0	0	0	109.7	F135 V141 R142 F143 V162 L164 F177 L181	I133-F135 HydrophobicContact CD1-CE1 4.06Å; I133-F135 HydrophobicContact CD1-CZ 3.89Å; I133-F135 HydrophobicContact CG1-CZ 4.43Å; I133-F135 HydrophobicContact CG2-CE2 4.33Å; I133-V141 HydrophobicContact CD1-CB 4.14Å; I133-V141 HydrophobicContact CD1-CG1 3.95Å; I133-V141 HydrophobicContact CG1-CB 4.27Å; I133-V141 HydrophobicContact CG1-CG1 4.45Å; I133-R142 CarbonylContact C-O 3.52Å; I133-R142 WeakPolarHBondContact CA-O 3.42Å; I133-F143 HydrophobicContact CB-CD1 4.22Å; I133-F143 HydrophobicContact CB-CE1 4.19Å; I133-F143 HydrophobicContact CD1-CE1 3.78Å; I133-F143 HydrophobicContact CD1-CZ 4.24Å; I133-F143 HydrophobicContact CG1-CD1 4.2Å; I133-F143 HydrophobicContact CG1-CE1 3.9Å; I133-V162 HydrophobicContact CG2-CB 4.47Å; I133-V162 PolarHBondContact N-O 3.41Å; I133-V162 PolarHBondContact O-N 2.79Å; I133-L164 HydrophobicContact CB-CD1 4.27Å; I133-L164 HydrophobicContact CB-CD2 3.79Å; I133-L164 HydrophobicContact CB-CG 3.76Å; I133-L164 HydrophobicContact CD1-CD2 4.1Å; I133-L164 HydrophobicContact CG2-CD2 3.55Å; I133-L164 HydrophobicContact CG2-CG 3.73Å; I133-F177 HydrophobicContact CD1-CE2 4.38Å; I133-F177 HydrophobicContact CD1-CZ 3.92Å; I133-L181 HydrophobicContact CD1-CD2 4.01Å
134	C	94.9	Very high	94.8	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	145.7	165.3	143.3	0	0	0	0	108.4	V141 R142 C158 E160 W161	C134-V141 CarbonylContact O-C 3.38Å; C134-V141 VanDerWaalsContact O-CA 3.26Å; C134-V141 WeakPolarHBondContact O-CA 3.44Å; C134-R142 HydrophobicContact CB-CB 4.34Å; C134-R142 PolarHBondContact N-O 3.15Å; C134-R142 PolarHBondContact O-N 3.29Å; C134-C158 HydrophobicContact CB-CB 3.8Å; C134-C158 WeakPolarHBondContact CB-SG 3.38Å; C134-C158 WeakPolarHBondContact SG-CA 3.35Å; C134-C158 WeakPolarHBondContact SG-CB 3.19Å; C134-C158 CovalentContact SG-SG 2Å; C134-C158 PolarHBondContact SG-SG 3.5Å; C134-E160 WeakPolarHBondContact CB-O 3.4Å; C134-W161 HydrophobicContact CB-CD2 4.16Å; C134-W161 HydrophobicContact CB-CE3 3.64Å; C134-W161 HydrophobicContact CB-CH2 4.19Å; C134-W161 HydrophobicContact CB-CZ3 3.66Å
135	F	94	Very high	94.8	Very high	74 Å²	74	39 Å²	39	33%	0.325	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	129.3	167.7	-57.9	-85.5	0	0	0	109.8	I133 T140 V141 Y167 F177	I133-F135 HydrophobicContact CD1-CE1 4.06Å; I133-F135 HydrophobicContact CD1-CZ 3.89Å; I133-F135 HydrophobicContact CG1-CZ 4.43Å; I133-F135 HydrophobicContact CG2-CE2 4.33Å; F135-T140 WeakPolarHBondContact CA-O 3.27Å; F135-V141 HydrophobicContact CD1-CG1 3.84Å; F135-V141 HydrophobicContact CE1-CG1 3.95Å; F135-Y167 HydrophobicContact CE2-CE1 4.14Å; F135-Y167 AromaticContact CE2-CE2 3.9Å; F135-Y167 HydrophobicContact CE2-CE2 3.9Å; F135-Y167 AromaticContact CE2-CZ 3.65Å; F135-Y167 HydrophobicContact CZ-CD1 4.48Å; F135-Y167 AromaticContact CZ-CE1 3.69Å; F135-Y167 HydrophobicContact CZ-CE1 3.69Å; F135-Y167 HydrophobicContact CZ-CE2 4.27Å; F135-Y167 AromaticContact CZ-CZ 3.56Å; F135-Y167 WeakPolarHBondContact CZ-OH 3.18Å; F135-F177 HydrophobicContact CE1-CE2 4.32Å; F135-F177 HydrophobicContact CZ-CE2 4.07Å
136	T	92.2	Very high	94.8	Very high	10 Å²	10	39.9 Å²	39.9	6%	0.061	21%	0.208	C	C	.	.	B	Isolated β-bridge	trans	-84.8	157.1	-178	67	0	0	0	0	111.4	T138 G139 T140 R142 Q157	T136-T138 PolarHBondContact O-N 2.96Å; T136-T138 VanDerWaalsContact O-N 3.13Å; T136-T138 PolarHBondContact OG1-N 3.07Å; T136-T138 PolarHBondContact OG1-OG1 2.99Å; T136-G139 PolarHBondContact O-N 3.22Å; T136-T140 PolarHBondContact N-O 2.83Å; T136-T140 WeakPolarHBondContact OG1-CA 3.43Å; T136-T140 PolarHBondContact OG1-N 3.03Å; T136-T140 PolarHBondContact OG1-O 3.38Å; T136-T140 PolarHBondContact OG1-OG1 2.98Å; T136-R142 HydrophobicContact CG2-CG 3.81Å; T136-Q157 WeakPolarHBondContact CA-O 3.4Å; T136-Q157 HydrophobicContact CG2-CB 4.06Å
137	Y	89.4	Confident	94.6	Very high	171 Å²	171	45.6 Å²	45.6	67%	0.671	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.4	-13.3	172.9	59.4	-109.2	0	0	0	113.6	G139 Q157	Y137-G139 VanDerWaalsContact C-N 3.33Å; Y137-Q157 HydrophobicContact CD1-CB 4.12Å; Y137-Q157 VanDerWaalsContact CE1-CA 3.41Å; Y137-Q157 HydrophobicContact CE1-CB 3.72Å; Y137-Q157 HydrophobicContact CE1-CG 3.69Å; Y137-Q157 PolarHBondContact N-O 2.76Å
138	T	84.5	Confident	94.1	Very high	80 Å²	80	45 Å²	45	49%	0.491	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.1	2.9	173.5	53.6	0	0	0	0	113.1	T136 T140	T136-T138 PolarHBondContact O-N 2.96Å; T136-T138 VanDerWaalsContact O-N 3.13Å; T136-T138 PolarHBondContact OG1-N 3.07Å; T136-T138 PolarHBondContact OG1-OG1 2.99Å; T138-T140 PolarHBondContact OG1-OG1 3.33Å
139	G	85.7	Confident	93.5	Very high	66 Å²	66	48.6 Å²	48.6	68%	0.68	26%	0.259	S	S	*	.	S	Bend	trans	81.3	17.6	178.2	0	0	0	0	0	114.4	T136 Y137	T136-G139 PolarHBondContact O-N 3.22Å; Y137-G139 VanDerWaalsContact C-N 3.33Å
140	T	90.8	Very high	93	Very high	13 Å²	13	47 Å²	47	8%	0.08	25%	0.248	C	C	.	.			trans	-109.8	-175.9	175.2	64.9	0	0	0	0	111.2	F135 T136 T138 R142 E208	F135-T140 WeakPolarHBondContact CA-O 3.27Å; T136-T140 PolarHBondContact N-O 2.83Å; T136-T140 WeakPolarHBondContact OG1-CA 3.43Å; T136-T140 PolarHBondContact OG1-N 3.03Å; T136-T140 PolarHBondContact OG1-O 3.38Å; T136-T140 PolarHBondContact OG1-OG1 2.98Å; T138-T140 PolarHBondContact OG1-OG1 3.33Å; T140-R142 PolarHBondContact OG1-NH1 3.38Å; T140-E208 VanDerWaalsContact CB-OE1 3.23Å; T140-E208 WeakPolarHBondContact CB-OE1 3.41Å; T140-E208 VanDerWaalsContact CG2-CD 3.4Å; T140-E208 WeakPolarHBondContact CG2-OE1 3.37Å; T140-E208 WeakPolarHBondContact CG2-OE2 3.43Å; T140-E208 PolarHBondContact OG1-OE1 3.47Å
141	V	94.9	Very high	92.3	Very high	5 Å²	5	45.4 Å²	45.4	3%	0.03	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	157.6	-175.5	-60.8	0	0	0	0	112.2	I133 C134 F135 F143 L181 N184 I212	I133-V141 HydrophobicContact CD1-CB 4.14Å; I133-V141 HydrophobicContact CD1-CG1 3.95Å; I133-V141 HydrophobicContact CG1-CB 4.27Å; I133-V141 HydrophobicContact CG1-CG1 4.45Å; C134-V141 CarbonylContact O-C 3.38Å; C134-V141 VanDerWaalsContact O-CA 3.26Å; C134-V141 WeakPolarHBondContact O-CA 3.44Å; F135-V141 HydrophobicContact CD1-CG1 3.84Å; F135-V141 HydrophobicContact CE1-CG1 3.95Å; V141-F143 HydrophobicContact CG2-CE2 3.72Å; V141-F143 HydrophobicContact CG2-CZ 3.91Å; V141-L181 HydrophobicContact CG1-CD2 4.48Å; V141-N184 HydrophobicContact CG2-CB 4.07Å; V141-I212 HydrophobicContact CG2-CG2 3.77Å; V141-I212 WeakPolarHBondContact O-CG1 3.36Å
142	R	95.6	Very high	91.4	Very high	22 Å²	22	52.9 Å²	52.9	8%	0.083	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	147.2	167.3	-60.9	-66.2	176.9	-103.7	-1.7	108.5	I133 C134 T136 T140 W161 E208	I133-R142 CarbonylContact C-O 3.52Å; I133-R142 WeakPolarHBondContact CA-O 3.42Å; C134-R142 HydrophobicContact CB-CB 4.34Å; C134-R142 PolarHBondContact N-O 3.15Å; C134-R142 PolarHBondContact O-N 3.29Å; T136-R142 HydrophobicContact CG2-CG 3.81Å; T140-R142 PolarHBondContact OG1-NH1 3.38Å; R142-W161 HydrophobicContact CB-CH2 4.04Å; R142-W161 HydrophobicContact CB-CZ3 4.45Å; R142-W161 WeakPolarHBondContact O-CZ3 3.45Å; R142-E208 IonicContact CZ-OE1 2.84Å; R142-E208 IonicContact NH1-OE1 3.45Å; R142-E208 PolarHBondContact NH1-OE1 3.33Å; R142-E208 IonicContact NH2-OE1 3.72Å; R142-E208 PolarHBondContact NH2-OE1 3.1Å
143	F	96.3	Very high	90.7	Very high	7 Å²	7	57.4 Å²	57.4	3%	0.031	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	152.3	179.2	-61.7	-77.2	0	0	0	111.7	T126 Y132 I133 V141 L164 L181 I212 G215 L216	T126-F143 HydrophobicContact CG2-CE1 4.07Å; T126-F143 HydrophobicContact CG2-CZ 4.3Å; Y132-F143 VanDerWaalsContact O-CA 3.32Å; Y132-F143 WeakPolarHBondContact O-CA 3.5Å; I133-F143 HydrophobicContact CB-CD1 4.22Å; I133-F143 HydrophobicContact CB-CE1 4.19Å; I133-F143 HydrophobicContact CD1-CE1 3.78Å; I133-F143 HydrophobicContact CD1-CZ 4.24Å; I133-F143 HydrophobicContact CG1-CD1 4.2Å; I133-F143 HydrophobicContact CG1-CE1 3.9Å; V141-F143 HydrophobicContact CG2-CE2 3.72Å; V141-F143 HydrophobicContact CG2-CZ 3.91Å; F143-L164 HydrophobicContact CD1-CD1 3.99Å; F143-L164 HydrophobicContact CE1-CD1 3.94Å; F143-L181 HydrophobicContact CE1-CD1 4.4Å; F143-L181 HydrophobicContact CZ-CD1 4.21Å; F143-L181 HydrophobicContact CZ-CD2 4.05Å; F143-I212 HydrophobicContact CD2-CG2 3.85Å; F143-I212 HydrophobicContact CE2-CG2 3.55Å; F143-G215 VanDerWaalsContact O-CA 3.26Å; F143-G215 WeakPolarHBondContact O-CA 3.45Å; F143-L216 HydrophobicContact CB-CD2 3.5Å; F143-L216 VanDerWaalsContact CB-CD2 3.5Å; F143-L216 HydrophobicContact CB-CG 3.63Å; F143-L216 HydrophobicContact CD1-CD2 3.9Å; F143-L216 HydrophobicContact CD1-CG 4.36Å; F143-L216 HydrophobicContact CD2-CD1 3.76Å; F143-L216 HydrophobicContact CD2-CD2 4.15Å; F143-L216 HydrophobicContact CD2-CG 3.69Å; F143-L216 HydrophobicContact CE2-CD1 3.98Å; F143-L216 HydrophobicContact CE2-CG 4.41Å; F143-L216 HydrophobicContact CG-CD1 4.07Å; F143-L216 HydrophobicContact CG-CD2 3.59Å; F143-L216 HydrophobicContact CG-CG 3.64Å; F143-L216 HydrophobicContact CZ-CD1 4.49Å
144	R	96.4	Very high	90.1	Very high	47 Å²	47	61.2 Å²	61.2	18%	0.177	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.7	133.5	174.8	-172.6	64.8	176	-173.3	5.6	111.5	Y132 P151 W161 Y252	Y132-R144 WeakPolarHBondContact CB-O 3.46Å; Y132-R144 PolarHBondContact N-O 3Å; Y132-R144 PolarHBondContact O-N 2.66Å; R144-P151 HydrophobicContact CB-CB 4.19Å; R144-P151 HydrophobicContact CB-CG 3.56Å; R144-P151 HydrophobicContact CG-CB 3.4Å; R144-P151 VanDerWaalsContact CG-CB 3.4Å; R144-P151 HydrophobicContact CG-CG 3.21Å; R144-W161 HydrophobicContact CB-CH2 3.54Å; R144-W161 HydrophobicContact CB-CZ2 3.91Å; R144-W161 HydrophobicContact CB-CZ3 3.87Å; R144-Y252 VanDerWaalsContact NH1-CE1 3.31Å
145	F	97.5	Very high	89.6	Confident	2 Å²	2	63.5 Å²	63.5	1%	0.009	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	134.6	168	-68.4	-91.8	0	0	0	110.6	A125 M128 N130 C131 L216 Y219 V222 Y252 L254	A125-F145 WeakPolarHBondContact O-CZ 3.33Å; M128-F145 HydrophobicContact CB-CE1 3.73Å; M128-F145 HydrophobicContact CB-CZ 4.2Å; N130-F145 WeakPolarHBondContact O-CA 3.33Å; C131-F145 HydrophobicContact CB-CD1 3.91Å; C131-F145 HydrophobicContact CB-CE1 3.46Å; C131-F145 VanDerWaalsContact CB-CE1 3.46Å; C131-F145 HydrophobicContact CB-CZ 3.9Å; C131-F145 VanDerWaalsContact SG-CZ 3.55Å; F145-L216 HydrophobicContact CE2-CD2 3.9Å; F145-L216 HydrophobicContact CZ-CD2 4.36Å; F145-Y219 HydrophobicContact CB-CD1 3.85Å; F145-Y219 HydrophobicContact CB-CD2 4Å; F145-Y219 HydrophobicContact CB-CE1 4.27Å; F145-Y219 HydrophobicContact CB-CE2 4.42Å; F145-Y219 HydrophobicContact CB-CG 3.72Å; F145-Y219 AromaticContact CD1-CD1 3.66Å; F145-Y219 HydrophobicContact CD1-CD1 3.66Å; F145-Y219 AromaticContact CD1-CE1 3.79Å; F145-Y219 HydrophobicContact CD1-CE1 3.79Å; F145-Y219 HydrophobicContact CD1-CG 4.39Å; F145-Y219 VanDerWaalsContact CD2-CB 3.46Å; F145-Y219 AromaticContact CD2-CD1 3.45Å; F145-Y219 HydrophobicContact CD2-CD1 3.45Å; F145-Y219 VanDerWaalsContact CD2-CD1 3.45Å; F145-Y219 HydrophobicContact CD2-CE1 4.39Å; F145-Y219 AromaticContact CD2-CG 3.65Å; F145-Y219 HydrophobicContact CD2-CG 3.65Å; F145-Y219 AromaticContact CE1-CD1 3.98Å; F145-Y219 HydrophobicContact CE1-CD1 3.98Å; F145-Y219 HydrophobicContact CE1-CE1 4.15Å; F145-Y219 AromaticContact CE2-CD1 3.78Å; F145-Y219 HydrophobicContact CE2-CD1 3.78Å; F145-Y219 HydrophobicContact CE2-CG 4.32Å; F145-Y219 AromaticContact CG-CD1 3.36Å; F145-Y219 HydrophobicContact CG-CD1 3.36Å; F145-Y219 HydrophobicContact CG-CD2 4.41Å; F145-Y219 AromaticContact CG-CE1 3.9Å; F145-Y219 HydrophobicContact CG-CE1 3.9Å; F145-Y219 AromaticContact CG-CG 3.67Å; F145-Y219 HydrophobicContact CG-CG 3.67Å; F145-Y219 HydrophobicContact CZ-CD1 4.02Å; F145-V222 HydrophobicContact CE2-CG2 4.05Å; F145-V222 HydrophobicContact CZ-CG2 4.03Å; F145-Y252 HydrophobicContact CB-CE2 4.07Å; F145-Y252 PolarHBondContact N-OH 3.18Å; F145-Y252 WeakPolarHBondContact O-CE2 3.33Å; F145-L254 HydrophobicContact CB-CD2 3.91Å
146	S	96.7	Very high	89.1	Confident	18 Å²	18	64.9 Å²	64.9	13%	0.126	37%	0.365	C	S	.	.			trans	-160.8	140	-178.5	-172.8	0	0	0	0	113	N130 Y132 H149 L254	N130-S146 WeakPolarHBondContact CB-O 3.27Å; N130-S146 PolarHBondContact O-N 3.48Å; Y132-S146 WeakPolarHBondContact CE2-O 3.22Å; S146-H149 WeakPolarHBondContact CB-O 3.4Å; S146-H149 PolarHBondContact OG-O 3.43Å; S146-L254 WeakPolarHBondContact CA-O 3.4Å
147	K	94.6	Very high	88.7	Confident	120 Å²	120	67.4 Å²	67.4	52%	0.522	38%	0.377	S	S	.	.	S	Bend	trans	-148.8	140.6	173.4	-171.2	179.6	179.4	176.4	0	110.5	L254	K147-L254 HydrophobicContact CB-CB 4.27Å; K147-L254 PolarHBondContact N-O 3.45Å
148	P	87.1	Confident	88.7	Confident	100 Å²	100	59.8 Å²	59.8	65%	0.649	35%	0.348	S	S	*	.	S	Bend	cis	-89.4	-11.5	4.5	34.5	-33.6	0	0	0	115.2
149	H	86.6	Confident	88.7	Confident	132 Å²	132	60.4 Å²	60.4	61%	0.611	36%	0.356	S	S	*	.	S	Bend	trans	-106.8	160.5	-177	-56.9	106.6	0	0	0	111.4	S146	S146-H149 WeakPolarHBondContact CB-O 3.4Å; S146-H149 PolarHBondContact OG-O 3.43Å
150	P	85.8	Confident	89	Confident	51 Å²	51	63 Å²	63	33%	0.331	35%	0.35	S	S	.	.			trans	-53.7	152.4	168.2	-23.6	33.8	0	0	0	111.8	Y132 H152 W161	Y132-P150 HydrophobicContact CD1-CB 4.43Å; Y132-P150 HydrophobicContact CE1-CB 4.04Å; Y132-P150 HydrophobicContact CE1-CG 3.99Å; P150-H152 PolarHBondContact O-CD2 3.25Å; P150-H152 VanDerWaalsContact O-CD2 3.24Å; P150-H152 PolarHBondContact O-N 2.87Å; P150-W161 HydrophobicContact CB-CB 4.03Å
151	P	82.6	Confident	89.2	Confident	8 Å²	8	63.9 Å²	63.9	5%	0.052	35%	0.352	C	S	.	.			trans	-63.6	133.6	-175.8	-9.5	16.5	0	0	0	113.5	Y132 R144 W161	Y132-P151 HydrophobicContact CG-CG 4.48Å; R144-P151 HydrophobicContact CB-CB 4.19Å; R144-P151 HydrophobicContact CB-CG 3.56Å; R144-P151 HydrophobicContact CG-CB 3.4Å; R144-P151 VanDerWaalsContact CG-CB 3.4Å; R144-P151 HydrophobicContact CG-CG 3.21Å; P151-W161 HydrophobicContact CB-CZ2 4.43Å; P151-W161 HydrophobicContact CG-CD2 3.91Å; P151-W161 HydrophobicContact CG-CE3 4.49Å; P151-W161 HydrophobicContact CG-CG 4.05Å; P151-W161 HydrophobicContact CG-CZ2 4.28Å; P151-W161 PolarHBondContact O-NE1 3.4Å; P151-W161 VanDerWaalsContact O-NE1 3.12Å
152	H	80.5	Confident	89.2	Confident	159 Å²	159	65 Å²	65	74%	0.736	36%	0.359	S	S	*	.	S	Bend	trans	-128.4	147	173.1	-75.2	-76.6	0	0	0	112.2	P150	P150-H152 PolarHBondContact O-CD2 3.25Å; P150-H152 VanDerWaalsContact O-CD2 3.24Å; P150-H152 PolarHBondContact O-N 2.87Å
153	P	81.1	Confident	89.3	Confident	121 Å²	121	66.1 Å²	66.1	79%	0.786	37%	0.366	S	S	*	.	S	Bend	cis	-68.7	157.9	-7.4	31.4	-35.5	0	0	0	111.8
154	M	84.9	Confident	89.3	Confident	80 Å²	80	65.8 Å²	65.8	39%	0.394	37%	0.365	S	S	.	.	P	Polyproline II helix	trans	-70.8	139	174.9	-172.9	159.9	62.9	0	0	109.6	A156 C158 S159 E160	M154-A156 PolarHBondContact O-N 3.49Å; M154-C158 VanDerWaalsContact CE-O 3.22Å; M154-C158 WeakPolarHBondContact CE-O 3.42Å; M154-C158 HydrophobicContact CG-CB 3.57Å; M154-C158 HydrophobicContact SD-CB 4.11Å; M154-S159 VanDerWaalsContact CE-O 3.25Å; M154-S159 WeakPolarHBondContact CE-O 3.3Å; M154-E160 VanDerWaalsContact SD-CA 3.55Å; M154-E160 PolarHBondContact SD-N 2.77Å
155	P	83.9	Confident	89.3	Confident	48 Å²	48	68.5 Å²	68.5	31%	0.312	38%	0.379	S	S	.	.	P	Polyproline II helix	trans	-56.7	141.8	172.8	-22	32.1	0	0	0	110.2	Q157 C158 W161	P155-Q157 PolarHBondContact O-N 3.03Å; P155-C158 HydrophobicContact CB-CB 4.2Å; P155-C158 HydrophobicContact CG-CB 4.35Å; P155-C158 WeakPolarHBondContact O-CB 3.37Å; P155-C158 PolarHBondContact O-N 2.87Å; P155-W161 VanDerWaalsContact CD-CZ2 3.46Å; P155-W161 HydrophobicContact CG-CH2 4.3Å; P155-W161 HydrophobicContact CG-CZ2 3.61Å
156	A	83.5	Confident	89.2	Confident	102 Å²	102	71.3 Å²	71.3	84%	0.843	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.4	-23.1	-177.4	0	0	0	0	0	113.7	M154	M154-A156 PolarHBondContact O-N 3.49Å
157	Q	85.1	Confident	89.2	Confident	64 Å²	64	73.4 Å²	73.4	30%	0.299	40%	0.403	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.8	-5.1	179.7	-54.9	-176.8	-20.2	0	0	114.4	T136 Y137 P155	T136-Q157 WeakPolarHBondContact CA-O 3.4Å; T136-Q157 HydrophobicContact CG2-CB 4.06Å; Y137-Q157 HydrophobicContact CD1-CB 4.12Å; Y137-Q157 VanDerWaalsContact CE1-CA 3.41Å; Y137-Q157 HydrophobicContact CE1-CB 3.72Å; Y137-Q157 HydrophobicContact CE1-CG 3.69Å; Y137-Q157 PolarHBondContact N-O 2.76Å; P155-Q157 PolarHBondContact O-N 3.03Å
158	C	89	Confident	89.4	Confident	10 Å²	10	68.4 Å²	68.4	7%	0.068	38%	0.381	C	S	.	.	B	Isolated β-bridge	trans	-103.9	137.4	-174.6	-72.9	0	0	0	0	111.4	C134 M154 P155	C134-C158 HydrophobicContact CB-CB 3.8Å; C134-C158 WeakPolarHBondContact CB-SG 3.38Å; C134-C158 WeakPolarHBondContact SG-CA 3.35Å; C134-C158 WeakPolarHBondContact SG-CB 3.19Å; C134-C158 CovalentContact SG-SG 2Å; C134-C158 PolarHBondContact SG-SG 3.5Å; M154-C158 VanDerWaalsContact CE-O 3.22Å; M154-C158 WeakPolarHBondContact CE-O 3.42Å; M154-C158 HydrophobicContact CG-CB 3.57Å; M154-C158 HydrophobicContact SD-CB 4.11Å; P155-C158 HydrophobicContact CB-CB 4.2Å; P155-C158 HydrophobicContact CG-CB 4.35Å; P155-C158 WeakPolarHBondContact O-CB 3.37Å; P155-C158 PolarHBondContact O-N 2.87Å
159	S	83.3	Confident	89.8	Confident	93 Å²	93	70.8 Å²	70.8	65%	0.65	38%	0.381	S	S	*	.	S	Bend	trans	-89.9	-33.2	172.7	54.8	0	0	0	0	113.2	M154	M154-S159 VanDerWaalsContact CE-O 3.25Å; M154-S159 WeakPolarHBondContact CE-O 3.3Å
160	E	92.6	Very high	90.3	Very high	122 Å²	122	71.5 Å²	71.5	57%	0.57	38%	0.384	S	S	*	.			trans	-159.2	159.7	177.7	63.2	-176.7	148.4	0	0	111.8	C134 M154 V162	C134-E160 WeakPolarHBondContact CB-O 3.4Å; M154-E160 VanDerWaalsContact SD-CA 3.55Å; M154-E160 PolarHBondContact SD-N 2.77Å; E160-V162 HydrophobicContact CG-CG2 4Å
161	W	95.1	Very high	90.8	Very high	31 Å²	31	71.2 Å²	71.2	12%	0.117	38%	0.38	C	S	.	.			trans	-102.8	124.5	169.3	-76.7	117.6	0	0	0	110.1	Y132 C134 R142 R144 P150 P151 P155	Y132-W161 HydrophobicContact CD1-CB 3.99Å; C134-W161 HydrophobicContact CB-CD2 4.16Å; C134-W161 HydrophobicContact CB-CE3 3.64Å; C134-W161 HydrophobicContact CB-CH2 4.19Å; C134-W161 HydrophobicContact CB-CZ3 3.66Å; R142-W161 HydrophobicContact CB-CH2 4.04Å; R142-W161 HydrophobicContact CB-CZ3 4.45Å; R142-W161 WeakPolarHBondContact O-CZ3 3.45Å; R144-W161 HydrophobicContact CB-CH2 3.54Å; R144-W161 HydrophobicContact CB-CZ2 3.91Å; R144-W161 HydrophobicContact CB-CZ3 3.87Å; P150-W161 HydrophobicContact CB-CB 4.03Å; P151-W161 HydrophobicContact CB-CZ2 4.43Å; P151-W161 HydrophobicContact CG-CD2 3.91Å; P151-W161 HydrophobicContact CG-CE3 4.49Å; P151-W161 HydrophobicContact CG-CG 4.05Å; P151-W161 HydrophobicContact CG-CZ2 4.28Å; P151-W161 PolarHBondContact O-NE1 3.4Å; P151-W161 VanDerWaalsContact O-NE1 3.12Å; P155-W161 VanDerWaalsContact CD-CZ2 3.46Å; P155-W161 HydrophobicContact CG-CH2 4.3Å; P155-W161 HydrophobicContact CG-CZ2 3.61Å
162	V	95.3	Very high	91.5	Very high	29 Å²	29	77.4 Å²	77.4	18%	0.176	42%	0.42	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	134.1	178.1	-168.9	0	0	0	0	109.8	Y132 I133 E160 L164 Y167	Y132-V162 CarbonylContact C-O 3.5Å; Y132-V162 VanDerWaalsContact CA-O 3.28Å; Y132-V162 WeakPolarHBondContact CA-O 3.48Å; I133-V162 HydrophobicContact CG2-CB 4.47Å; I133-V162 PolarHBondContact N-O 3.41Å; I133-V162 PolarHBondContact O-N 2.79Å; E160-V162 HydrophobicContact CG-CG2 4Å; V162-L164 PolarHBondContact O-N 2.73Å; V162-Y167 HydrophobicContact CG1-CD2 3.96Å; V162-Y167 HydrophobicContact CG1-CG 4.4Å
163	L	96.6	Very high	92.3	Very high	44 Å²	44	74.1 Å²	74.1	23%	0.23	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	122.1	174.7	-175.3	67.7	0	0	0	109.2	Y132 E165 T166 Y167	Y132-L163 HydrophobicContact CD1-CB 4.29Å; Y132-L163 HydrophobicContact CD2-CD1 4.3Å; Y132-L163 HydrophobicContact CE1-CB 4Å; Y132-L163 HydrophobicContact CE1-CD1 4.34Å; Y132-L163 HydrophobicContact CE2-CD1 3.97Å; L163-E165 VanDerWaalsContact C-N 3.27Å; L163-E165 HydrophobicContact CD2-CB 4.49Å; L163-E165 HydrophobicContact CG-CB 4.37Å; L163-E165 PolarHBondContact O-N 2.92Å; L163-T166 PolarHBondContact O-N 3.35Å; L163-Y167 PolarHBondContact O-N 3.5Å
164	L	96.9	Very high	93.1	Very high	1 Å²	1	70.5 Å²	70.5	1%	0.005	38%	0.383	C	S	.	.	H	α-helix	trans	-59.3	-37.5	-174.7	-92.2	167.3	0	0	0	113.1	T126 C131 I133 F143 V162 T166 Y167 R168 F177	T126-L164 HydrophobicContact CG2-CD1 4.47Å; C131-L164 HydrophobicContact CB-CD1 4.06Å; C131-L164 WeakPolarHBondContact O-CB 3.45Å; C131-L164 PolarHBondContact O-N 3.21Å; I133-L164 HydrophobicContact CB-CD1 4.27Å; I133-L164 HydrophobicContact CB-CD2 3.79Å; I133-L164 HydrophobicContact CB-CG 3.76Å; I133-L164 HydrophobicContact CD1-CD2 4.1Å; I133-L164 HydrophobicContact CG2-CD2 3.55Å; I133-L164 HydrophobicContact CG2-CG 3.73Å; F143-L164 HydrophobicContact CD1-CD1 3.99Å; F143-L164 HydrophobicContact CE1-CD1 3.94Å; V162-L164 PolarHBondContact O-N 2.73Å; L164-T166 VanDerWaalsContact C-N 3.31Å; L164-T166 PolarHBondContact O-N 2.9Å; L164-Y167 PolarHBondContact O-N 3.13Å; L164-R168 WeakPolarHBondContact O-CB 3.2Å; L164-R168 WeakPolarHBondContact O-CG 3.43Å; L164-R168 PolarHBondContact O-N 2.9Å; L164-F177 HydrophobicContact CD2-CE1 3.86Å; L164-F177 HydrophobicContact CD2-CZ 3.85Å
165	E	96.9	Very high	93.7	Very high	103 Å²	103	71 Å²	71	48%	0.481	39%	0.391	S	S	.	.	H	α-helix	trans	-59.8	-43.8	176.7	-168.9	-166.1	156.4	0	0	111.4	L163 K169	L163-E165 VanDerWaalsContact C-N 3.27Å; L163-E165 HydrophobicContact CD2-CB 4.49Å; L163-E165 HydrophobicContact CG-CB 4.37Å; L163-E165 PolarHBondContact O-N 2.92Å; E165-K169 WeakPolarHBondContact O-CG 3.2Å; E165-K169 PolarHBondContact O-N 3.38Å; E165-K169 IonicContact OE1-NZ 2.69Å; E165-K169 PolarHBondContact OE1-NZ 2.82Å
166	T	95.8	Very high	94.3	Very high	62 Å²	62	72.7 Å²	72.7	38%	0.38	40%	0.395	S	S	.	.	H	α-helix	trans	-69.3	-42.1	177.1	-59.6	0	0	0	0	111.1	L163 L164 K169 Q170	L163-T166 PolarHBondContact O-N 3.35Å; L164-T166 VanDerWaalsContact C-N 3.31Å; L164-T166 PolarHBondContact O-N 2.9Å; T166-K169 PolarHBondContact O-N 3.45Å; T166-Q170 WeakPolarHBondContact O-CG 3.5Å
167	Y	96.5	Very high	95	Very high	61 Å²	61	68.7 Å²	68.7	24%	0.239	36%	0.359	C	S	.	.	H	α-helix	trans	-60.9	-49.1	179.2	-167.3	-102.3	0	0	0	111.4	F135 V162 L163 L164 K169 Q170 L171 F177	F135-Y167 HydrophobicContact CE2-CE1 4.14Å; F135-Y167 AromaticContact CE2-CE2 3.9Å; F135-Y167 HydrophobicContact CE2-CE2 3.9Å; F135-Y167 AromaticContact CE2-CZ 3.65Å; F135-Y167 HydrophobicContact CZ-CD1 4.48Å; F135-Y167 AromaticContact CZ-CE1 3.69Å; F135-Y167 HydrophobicContact CZ-CE1 3.69Å; F135-Y167 HydrophobicContact CZ-CE2 4.27Å; F135-Y167 AromaticContact CZ-CZ 3.56Å; F135-Y167 WeakPolarHBondContact CZ-OH 3.18Å; V162-Y167 HydrophobicContact CG1-CD2 3.96Å; V162-Y167 HydrophobicContact CG1-CG 4.4Å; L163-Y167 PolarHBondContact O-N 3.5Å; L164-Y167 PolarHBondContact O-N 3.13Å; Y167-K169 VanDerWaalsContact C-N 3.3Å; Y167-K169 PolarHBondContact O-N 3.01Å; Y167-Q170 PolarHBondContact O-N 3.41Å; Y167-L171 HydrophobicContact CD1-CD1 3.91Å; Y167-L171 HydrophobicContact CD1-CG 4.29Å; Y167-L171 HydrophobicContact CE1-CD1 3.83Å; Y167-L171 HydrophobicContact CE1-CD2 3.92Å; Y167-L171 HydrophobicContact CE1-CG 4.16Å; Y167-F177 HydrophobicContact CD1-CE1 4.27Å; Y167-F177 HydrophobicContact CD1-CE2 4.06Å; Y167-F177 AromaticContact CD1-CZ 3.84Å; Y167-F177 HydrophobicContact CD1-CZ 3.84Å; Y167-F177 HydrophobicContact CE1-CD2 4.06Å; Y167-F177 AromaticContact CE1-CE2 3.61Å; Y167-F177 HydrophobicContact CE1-CE2 3.61Å; Y167-F177 AromaticContact CE1-CZ 3.89Å; Y167-F177 HydrophobicContact CE1-CZ 3.89Å
168	R	97.8	Very high	95.6	Very high	16 Å²	16	65.9 Å²	65.9	6%	0.06	35%	0.345	C	S	.	.	H	α-helix	trans	-58.2	-38.4	178.6	-76.2	-171.3	174.6	103.2	0	113.1	T126 Y127 L164 Q170 L171 V174 F177 D178	T126-R168 PolarHBondContact O-NH1 2.99Å; T126-R168 PolarHBondContact OG1-NH2 3.37Å; Y127-R168 PolarHBondContact OH-NE 2.73Å; L164-R168 WeakPolarHBondContact O-CB 3.2Å; L164-R168 WeakPolarHBondContact O-CG 3.43Å; L164-R168 PolarHBondContact O-N 2.9Å; R168-Q170 PolarHBondContact O-N 3.18Å; R168-L171 PolarHBondContact O-N 2.87Å; R168-V174 HydrophobicContact CB-CG1 4.36Å; R168-V174 HydrophobicContact CB-CG2 4.44Å; R168-V174 HydrophobicContact CG-CG1 4.14Å; R168-V174 WeakPolarHBondContact O-CG2 3.35Å; R168-F177 HydrophobicContact CG-CD1 4.16Å; R168-F177 HydrophobicContact CG-CE1 4.1Å; R168-D178 IonicContact CZ-OD1 3.42Å; R168-D178 VanDerWaalsContact CZ-OD1 3.3Å; R168-D178 IonicContact NE-OD1 3.06Å; R168-D178 PolarHBondContact NE-OD1 2.72Å; R168-D178 IonicContact NH2-OD1 3.97Å; R168-D178 PolarHBondContact NH2-OD1 3.5Å
169	K	97.1	Very high	95.9	Very high	150 Å²	150	67.9 Å²	67.9	65%	0.652	36%	0.355	S	S	*	.	H	α-helix	trans	-64.5	-20.7	178	-72.5	172.5	-171.9	169.8	0	113.6	E165 T166 Y167	E165-K169 WeakPolarHBondContact O-CG 3.2Å; E165-K169 PolarHBondContact O-N 3.38Å; E165-K169 IonicContact OE1-NZ 2.69Å; E165-K169 PolarHBondContact OE1-NZ 2.82Å; T166-K169 PolarHBondContact O-N 3.45Å; Y167-K169 VanDerWaalsContact C-N 3.3Å; Y167-K169 PolarHBondContact O-N 3.01Å
170	Q	96.8	Very high	96.5	Very high	146 Å²	146	64.9 Å²	64.9	68%	0.682	33%	0.334	S	S	*	.	H	α-helix	trans	-94.2	-8.3	-179.4	-63.9	175	7.9	0	0	112.9	T166 Y167 R168	T166-Q170 WeakPolarHBondContact O-CG 3.5Å; Y167-Q170 PolarHBondContact O-N 3.41Å; R168-Q170 PolarHBondContact O-N 3.18Å
171	L	96.6	Very high	96.7	Very high	45 Å²	45	59.1 Å²	59.1	24%	0.236	31%	0.307	C	S	.	.			trans	-85.6	139.8	-176.4	-67.4	174.4	0	0	0	111.8	Y167 R168 N173 V174 F177	Y167-L171 HydrophobicContact CD1-CD1 3.91Å; Y167-L171 HydrophobicContact CD1-CG 4.29Å; Y167-L171 HydrophobicContact CE1-CD1 3.83Å; Y167-L171 HydrophobicContact CE1-CD2 3.92Å; Y167-L171 HydrophobicContact CE1-CG 4.16Å; R168-L171 PolarHBondContact O-N 2.87Å; L171-N173 VanDerWaalsContact C-N 3.3Å; L171-N173 PolarHBondContact O-N 3.01Å; L171-V174 HydrophobicContact CB-CG2 4.46Å; L171-F177 HydrophobicContact CD1-CB 3.51Å; L171-F177 HydrophobicContact CD1-CD1 3.71Å; L171-F177 HydrophobicContact CD1-CD2 3.93Å; L171-F177 HydrophobicContact CD1-CE1 4.39Å; L171-F177 HydrophobicContact CD1-CG 3.41Å; L171-F177 VanDerWaalsContact CD1-CG 3.41Å
172	P	96.2	Very high	96.8	Very high	139 Å²	139	58.9 Å²	58.9	90%	0.903	31%	0.308	S	S	*	.	S	Bend	trans	-72	-24.4	173.8	29.3	-34.5	0	0	0	112.8
173	N	97.4	Very high	96.8	Very high	89 Å²	89	63.4 Å²	63.4	48%	0.476	32%	0.322	S	S	.	.			trans	-141.7	96.7	179.6	-173	-14.1	0	0	0	110.5	L171 T175 E176 F177	L171-N173 VanDerWaalsContact C-N 3.3Å; L171-N173 PolarHBondContact O-N 3.01Å; N173-T175 PolarHBondContact OD1-N 3.47Å; N173-E176 HydrophobicContact CB-CB 4.32Å; N173-E176 PolarHBondContact OD1-N 2.66Å; N173-F177 PolarHBondContact O-N 2.83Å
174	V	97.5	Very high	96.8	Very high	46 Å²	46	62.8 Å²	62.8	28%	0.279	32%	0.319	S	S	.	.	H	α-helix	trans	-70	-37.3	179.9	179.4	0	0	0	0	111.5	R168 L171 E176 F177 D178	R168-V174 HydrophobicContact CB-CG1 4.36Å; R168-V174 HydrophobicContact CB-CG2 4.44Å; R168-V174 HydrophobicContact CG-CG1 4.14Å; R168-V174 WeakPolarHBondContact O-CG2 3.35Å; L171-V174 HydrophobicContact CB-CG2 4.46Å; V174-E176 PolarHBondContact O-N 2.69Å; V174-F177 WeakPolarHBondContact O-CB 3.47Å; V174-F177 PolarHBondContact O-N 2.72Å; V174-D178 PolarHBondContact O-N 3.37Å
175	T	97.3	Very high	96.8	Very high	91 Å²	91	62.8 Å²	62.8	56%	0.558	32%	0.319	S	S	*	.	H	α-helix	trans	-61.1	-44.2	179.8	-54.5	0	0	0	0	111.5	N173 F177 D178 N179	N173-T175 PolarHBondContact OD1-N 3.47Å; T175-F177 VanDerWaalsContact C-N 3.31Å; T175-F177 PolarHBondContact O-N 2.98Å; T175-D178 PolarHBondContact O-N 3.23Å; T175-N179 VanDerWaalsContact O-CG 3.26Å; T175-N179 PolarHBondContact O-N 2.81Å; T175-N179 PolarHBondContact O-ND2 2.78Å
176	E	97.4	Very high	96.8	Very high	83 Å²	83	58.5 Å²	58.5	39%	0.388	30%	0.3	S	S	.	.	H	α-helix	trans	-68.3	-33.9	177.9	-178.7	49.9	-147.5	0	0	112.4	N173 V174 N179 S180 R183	N173-E176 HydrophobicContact CB-CB 4.32Å; N173-E176 PolarHBondContact OD1-N 2.66Å; V174-E176 PolarHBondContact O-N 2.69Å; E176-N179 PolarHBondContact O-N 3.22Å; E176-S180 PolarHBondContact O-N 3.4Å; E176-R183 IonicContact OE1-CZ 3.49Å; E176-R183 IonicContact OE1-NH1 3.58Å; E176-R183 PolarHBondContact OE1-NH1 3.47Å; E176-R183 IonicContact OE1-NH2 3.66Å; E176-R183 PolarHBondContact OE1-NH2 3.29Å
177	F	97.4	Very high	96.9	Very high	18 Å²	18	55.6 Å²	55.6	8%	0.079	28%	0.282	C	S	.	.	H	α-helix	trans	-63.5	-46	172.1	172	-105.9	0	0	0	111.7	I133 F135 L164 Y167 R168 L171 N173 V174 T175 N179 S180 L181	I133-F177 HydrophobicContact CD1-CE2 4.38Å; I133-F177 HydrophobicContact CD1-CZ 3.92Å; F135-F177 HydrophobicContact CE1-CE2 4.32Å; F135-F177 HydrophobicContact CZ-CE2 4.07Å; L164-F177 HydrophobicContact CD2-CE1 3.86Å; L164-F177 HydrophobicContact CD2-CZ 3.85Å; Y167-F177 HydrophobicContact CD1-CE1 4.27Å; Y167-F177 HydrophobicContact CD1-CE2 4.06Å; Y167-F177 AromaticContact CD1-CZ 3.84Å; Y167-F177 HydrophobicContact CD1-CZ 3.84Å; Y167-F177 HydrophobicContact CE1-CD2 4.06Å; Y167-F177 AromaticContact CE1-CE2 3.61Å; Y167-F177 HydrophobicContact CE1-CE2 3.61Å; Y167-F177 AromaticContact CE1-CZ 3.89Å; Y167-F177 HydrophobicContact CE1-CZ 3.89Å; R168-F177 HydrophobicContact CG-CD1 4.16Å; R168-F177 HydrophobicContact CG-CE1 4.1Å; L171-F177 HydrophobicContact CD1-CB 3.51Å; L171-F177 HydrophobicContact CD1-CD1 3.71Å; L171-F177 HydrophobicContact CD1-CD2 3.93Å; L171-F177 HydrophobicContact CD1-CE1 4.39Å; L171-F177 HydrophobicContact CD1-CG 3.41Å; L171-F177 VanDerWaalsContact CD1-CG 3.41Å; N173-F177 PolarHBondContact O-N 2.83Å; V174-F177 WeakPolarHBondContact O-CB 3.47Å; V174-F177 PolarHBondContact O-N 2.72Å; T175-F177 VanDerWaalsContact C-N 3.31Å; T175-F177 PolarHBondContact O-N 2.98Å; F177-N179 VanDerWaalsContact C-N 3.33Å; F177-N179 PolarHBondContact O-N 2.92Å; F177-S180 WeakPolarHBondContact O-CA 3.09Å; F177-S180 WeakPolarHBondContact O-CB 3.36Å; F177-S180 PolarHBondContact O-N 2.72Å; F177-S180 PolarHBondContact O-OG 3.41Å; F177-L181 HydrophobicContact CD1-CD1 4.49Å; F177-L181 HydrophobicContact CE1-CD1 3.84Å; F177-L181 HydrophobicContact CE1-CG 4.27Å; F177-L181 HydrophobicContact CE2-CD2 4.03Å; F177-L181 HydrophobicContact CE2-CG 4.47Å; F177-L181 HydrophobicContact CZ-CD1 4.01Å; F177-L181 HydrophobicContact CZ-CD2 3.93Å; F177-L181 HydrophobicContact CZ-CG 4.17Å; F177-L181 PolarHBondContact O-N 3.15Å
178	D	97.8	Very high	97	Very high	4 Å²	4	55.4 Å²	55.4	2%	0.021	29%	0.287	C	S	.	.	H	α-helix	trans	-62.5	-40.1	176.2	-72.1	-16.9	0	0	0	111.8	V122 Y123 Y127 R168 V174 T175 S180 L181 L182	V122-D178 HydrophobicContact CG1-CB 3.89Å; Y123-D178 HydrophobicContact CE1-CB 3.86Å; Y127-D178 WeakPolarHBondContact CE2-OD2 3.21Å; Y127-D178 PolarHBondContact OH-OD2 2.88Å; R168-D178 IonicContact CZ-OD1 3.42Å; R168-D178 VanDerWaalsContact CZ-OD1 3.3Å; R168-D178 IonicContact NE-OD1 3.06Å; R168-D178 PolarHBondContact NE-OD1 2.72Å; R168-D178 IonicContact NH2-OD1 3.97Å; R168-D178 PolarHBondContact NH2-OD1 3.5Å; V174-D178 PolarHBondContact O-N 3.37Å; T175-D178 PolarHBondContact O-N 3.23Å; D178-S180 PolarHBondContact O-N 3.16Å; D178-L181 WeakPolarHBondContact O-CB 3.48Å; D178-L181 PolarHBondContact O-N 3.45Å; D178-L182 PolarHBondContact O-N 2.93Å
179	N	96.8	Very high	96.9	Very high	52 Å²	52	56.9 Å²	56.9	28%	0.278	30%	0.298	S	S	.	.	H	α-helix	trans	-59.3	-36.3	171.2	-69.8	-22.9	0	0	0	112.1	T175 E176 F177 L181 L182 R183	T175-N179 VanDerWaalsContact O-CG 3.26Å; T175-N179 PolarHBondContact O-N 2.81Å; T175-N179 PolarHBondContact O-ND2 2.78Å; E176-N179 PolarHBondContact O-N 3.22Å; F177-N179 VanDerWaalsContact C-N 3.33Å; F177-N179 PolarHBondContact O-N 2.92Å; N179-L181 VanDerWaalsContact C-N 3.31Å; N179-L181 PolarHBondContact O-N 2.94Å; N179-L182 WeakPolarHBondContact O-CB 3.5Å; N179-L182 PolarHBondContact O-N 3.33Å; N179-R183 WeakPolarHBondContact O-CG 3.43Å; N179-R183 PolarHBondContact O-N 2.61Å; N179-R183 VanDerWaalsContact O-N 3.07Å
180	S	95.8	Very high	96.8	Very high	30 Å²	30	57 Å²	57	21%	0.21	31%	0.306	C	S	.	.	H	α-helix	trans	-66.7	-32.2	174.6	86.1	0	0	0	0	113	E176 F177 D178 N184	E176-S180 PolarHBondContact O-N 3.4Å; F177-S180 WeakPolarHBondContact O-CA 3.09Å; F177-S180 WeakPolarHBondContact O-CB 3.36Å; F177-S180 PolarHBondContact O-N 2.72Å; F177-S180 PolarHBondContact O-OG 3.41Å; D178-S180 PolarHBondContact O-N 3.16Å; S180-N184 PolarHBondContact O-N 3.11Å; S180-N184 VanDerWaalsContact O-N 3.13Å; S180-N184 PolarHBondContact O-ND2 2.99Å
181	L	97.1	Very high	96.7	Very high	1 Å²	1	52.2 Å²	52.2	1%	0.005	29%	0.291	C	S	.	.	H	α-helix	trans	-70.4	-39.9	174	-58.2	-172.1	0	0	0	111.2	V122 T126 I133 V141 F143 F177 D178 N179 R183 N184 L185	V122-L181 HydrophobicContact CG1-CB 4.3Å; V122-L181 HydrophobicContact CG2-CB 3.93Å; T126-L181 HydrophobicContact CG2-CD1 4.43Å; I133-L181 HydrophobicContact CD1-CD2 4.01Å; V141-L181 HydrophobicContact CG1-CD2 4.48Å; F143-L181 HydrophobicContact CE1-CD1 4.4Å; F143-L181 HydrophobicContact CZ-CD1 4.21Å; F143-L181 HydrophobicContact CZ-CD2 4.05Å; F177-L181 HydrophobicContact CD1-CD1 4.49Å; F177-L181 HydrophobicContact CE1-CD1 3.84Å; F177-L181 HydrophobicContact CE1-CG 4.27Å; F177-L181 HydrophobicContact CE2-CD2 4.03Å; F177-L181 HydrophobicContact CE2-CG 4.47Å; F177-L181 HydrophobicContact CZ-CD1 4.01Å; F177-L181 HydrophobicContact CZ-CD2 3.93Å; F177-L181 HydrophobicContact CZ-CG 4.17Å; F177-L181 PolarHBondContact O-N 3.15Å; D178-L181 WeakPolarHBondContact O-CB 3.48Å; D178-L181 PolarHBondContact O-N 3.45Å; N179-L181 VanDerWaalsContact C-N 3.31Å; N179-L181 PolarHBondContact O-N 2.94Å; L181-R183 VanDerWaalsContact C-N 3.35Å; L181-R183 PolarHBondContact O-N 3.04Å; L181-N184 WeakPolarHBondContact O-CB 3.46Å; L181-N184 PolarHBondContact O-N 3Å; L181-N184 VanDerWaalsContact O-N 3.09Å; L181-L185 PolarHBondContact O-N 3.48Å; L181-L185 VanDerWaalsContact O-N 3.08Å
182	L	96.9	Very high	96.6	Very high	26 Å²	26	50 Å²	50	14%	0.136	28%	0.28	C	S	.	.	H	α-helix	trans	-57.2	-47.9	172.8	-69.9	171.4	0	0	0	111	V122 Y123 D178 N179 N184 L185 T186	V122-L182 HydrophobicContact CB-CD2 3.89Å; V122-L182 HydrophobicContact CB-CG 4.27Å; V122-L182 HydrophobicContact CG1-CG 4.37Å; V122-L182 HydrophobicContact CG2-CD2 3.54Å; V122-L182 HydrophobicContact CG2-CG 3.9Å; Y123-L182 HydrophobicContact CE2-CD1 3.99Å; D178-L182 PolarHBondContact O-N 2.93Å; N179-L182 WeakPolarHBondContact O-CB 3.5Å; N179-L182 PolarHBondContact O-N 3.33Å; L182-N184 PolarHBondContact O-N 3.25Å; L182-L185 PolarHBondContact O-N 3.03Å; L182-T186 PolarHBondContact O-N 3.44Å; L182-T186 PolarHBondContact O-OG1 2.69Å
183	R	95.1	Very high	96.5	Very high	125 Å²	125	47.8 Å²	47.8	47%	0.472	26%	0.257	S	S	.	.	H	α-helix	trans	-62.1	-27.4	176	-66.7	-176.2	-59.2	-102.9	6.6	113.4	E176 N179 L181 R205	E176-R183 IonicContact OE1-CZ 3.49Å; E176-R183 IonicContact OE1-NH1 3.58Å; E176-R183 PolarHBondContact OE1-NH1 3.47Å; E176-R183 IonicContact OE1-NH2 3.66Å; E176-R183 PolarHBondContact OE1-NH2 3.29Å; N179-R183 WeakPolarHBondContact O-CG 3.43Å; N179-R183 PolarHBondContact O-N 2.61Å; N179-R183 VanDerWaalsContact O-N 3.07Å; L181-R183 VanDerWaalsContact C-N 3.35Å; L181-R183 PolarHBondContact O-N 3.04Å; R183-R205 PolarHBondContact O-NH2 3.18Å
184	N	95.5	Very high	96.3	Very high	30 Å²	30	50.8 Å²	50.8	16%	0.16	27%	0.273	C	S	.	.	H	α-helix	trans	-77.4	-22.5	174.2	-89.8	-93	0	0	0	112.9	V141 S180 L181 L182 R205 I212	V141-N184 HydrophobicContact CG2-CB 4.07Å; S180-N184 PolarHBondContact O-N 3.11Å; S180-N184 VanDerWaalsContact O-N 3.13Å; S180-N184 PolarHBondContact O-ND2 2.99Å; L181-N184 WeakPolarHBondContact O-CB 3.46Å; L181-N184 PolarHBondContact O-N 3Å; L181-N184 VanDerWaalsContact O-N 3.09Å; L182-N184 PolarHBondContact O-N 3.25Å; N184-R205 VanDerWaalsContact CA-NH2 3.33Å; N184-R205 PolarHBondContact O-NH1 3.45Å; N184-R205 PolarHBondContact O-NH2 3.34Å; N184-I212 HydrophobicContact CB-CD1 4.31Å; N184-I212 VanDerWaalsContact O-CD1 3.27Å; N184-I212 WeakPolarHBondContact O-CD1 3.22Å
185	L	97.1	Very high	96.2	Very high	2 Å²	2	50.1 Å²	50.1	1%	0.01	27%	0.272	C	S	.	.	S	Bend	trans	-99.2	2.6	-178.6	-72.3	167.6	0	0	0	113.6	T118 L121 V122 L181 L182 V209 I212 A213	T118-L185 HydrophobicContact CG2-CB 3.91Å; T118-L185 WeakPolarHBondContact CG2-O 3.26Å; L121-L185 HydrophobicContact CB-CD1 4.22Å; V122-L185 HydrophobicContact CG2-CD1 3.69Å; L181-L185 PolarHBondContact O-N 3.48Å; L181-L185 VanDerWaalsContact O-N 3.08Å; L182-L185 PolarHBondContact O-N 3.03Å; L185-V209 WeakPolarHBondContact O-CG1 3.41Å; L185-I212 HydrophobicContact CD2-CB 4.21Å; L185-I212 HydrophobicContact CD2-CG2 3.64Å; L185-I212 HydrophobicContact CG-CG2 4.32Å; L185-A213 HydrophobicContact CD2-CB 3.92Å
186	T	97.5	Very high	96.2	Very high	13 Å²	13	46.8 Å²	46.8	8%	0.08	25%	0.249	C	C	.	.			trans	-135.7	171.5	177.4	70.8	0	0	0	0	111.6	T118 L182 V188 R205 P443 I444	T118-T186 HydrophobicContact CG2-CG2 3.73Å; T118-T186 WeakPolarHBondContact OG1-CG2 3.13Å; L182-T186 PolarHBondContact O-N 3.44Å; L182-T186 PolarHBondContact O-OG1 2.69Å; T186-V188 PolarHBondContact OG1-N 3.4Å; T186-R205 PolarHBondContact O-NH2 2.8Å; T186-P443 WeakPolarHBondContact CG2-O 3.14Å; T186-I444 WeakPolarHBondContact CB-O 3.21Å
187	L	98.2	Very high	96.2	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	26%	0.26	C	S	.	.			trans	-94.8	-2.1	166.5	-66.6	178.5	0	0	0	112.8	F84 T189 Y196 I202 R205 F206 V413 L414 I444 F445	F84-L187 HydrophobicContact CE2-CB 4.41Å; F84-L187 WeakPolarHBondContact CE2-O 3.42Å; F84-L187 HydrophobicContact CZ-CB 3.82Å; F84-L187 WeakPolarHBondContact CZ-O 3.23Å; L187-T189 PolarHBondContact O-N 3.35Å; L187-Y196 HydrophobicContact CD2-CE1 4.36Å; L187-Y196 WeakPolarHBondContact O-CE2 3.37Å; L187-Y196 PolarHBondContact O-OH 2.85Å; L187-Y196 VanDerWaalsContact O-OH 3.06Å; L187-I202 HydrophobicContact CD1-CD1 4.19Å; L187-I202 HydrophobicContact CD1-CG1 3.99Å; L187-I202 HydrophobicContact CD2-CG1 4.37Å; L187-R205 HydrophobicContact CD2-CB 4.01Å; L187-R205 HydrophobicContact CD2-CG 3.42Å; L187-R205 VanDerWaalsContact CD2-CG 3.42Å; L187-F206 HydrophobicContact CD1-CB 4.23Å; L187-F206 HydrophobicContact CD1-CD2 3.73Å; L187-F206 HydrophobicContact CD1-CG 4.34Å; L187-F206 HydrophobicContact CG-CD2 4.4Å; L187-V413 HydrophobicContact CD1-CG1 3.86Å; L187-L414 HydrophobicContact CD1-CD2 4.44Å; L187-I444 HydrophobicContact CB-CG2 4.42Å; L187-I444 HydrophobicContact CD1-CG2 4.05Å; L187-I444 HydrophobicContact CG-CG2 3.74Å; L187-I444 PolarHBondContact N-O 3.09Å; L187-F445 HydrophobicContact CD1-CD1 4.45Å; L187-F445 HydrophobicContact CD1-CE1 4.37Å
188	V	97.6	Very high	96.1	Very high	58 Å²	58	49 Å²	49	35%	0.352	27%	0.274	S	S	.	.			trans	-65.4	127.9	-172.3	-178.8	0	0	0	0	110.7	F84 T186	F84-V188 HydrophobicContact CD1-CG2 4.15Å; F84-V188 HydrophobicContact CE1-CG2 4.14Å; F84-V188 HydrophobicContact CG-CG1 4.44Å; T186-V188 PolarHBondContact OG1-N 3.4Å
189	T	96.4	Very high	96.1	Very high	47 Å²	47	50.8 Å²	50.8	29%	0.288	28%	0.282	S	S	.	.			trans	-154.9	155.7	178	-173.1	0	0	0	0	110.6	F84 L187 P192 A195 Y196	F84-T189 HydrophobicContact CD2-CG2 4.31Å; F84-T189 HydrophobicContact CE2-CG2 4.43Å; L187-T189 PolarHBondContact O-N 3.35Å; T189-P192 HydrophobicContact CG2-CB 4Å; T189-A195 HydrophobicContact CG2-CB 3.82Å; T189-Y196 HydrophobicContact CG2-CD2 4.38Å; T189-Y196 HydrophobicContact CG2-CE2 3.71Å
190	D	94.5	Very high	96.1	Very high	153 Å²	153	50.7 Å²	50.7	82%	0.818	28%	0.283	S	S	*	.	S	Bend	trans	-72	-29.1	-176.5	-63.1	-31.2	0	0	0	113	P192	D190-P192 VanDerWaalsContact C-CD 3.5Å
191	A	95	Very high	96.1	Very high	44 Å²	44	55.1 Å²	55.1	36%	0.364	30%	0.296	S	S	.	.			trans	-128.1	69.1	-178	0	0	0	0	0	111.3	E193 L194 A195	A191-E193 PolarHBondContact O-N 3.41Å; A191-E193 VanDerWaalsContact O-N 3.15Å; A191-L194 HydrophobicContact CB-CB 4.29Å; A191-L194 HydrophobicContact CB-CD1 4.07Å; A191-L194 HydrophobicContact CB-CG 4.34Å; A191-L194 PolarHBondContact O-N 3.5Å; A191-L194 VanDerWaalsContact O-N 3.08Å; A191-A195 PolarHBondContact O-N 3.19Å
192	P	94.9	Very high	96.1	Very high	0 Å²	0	55 Å²	55	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-57	-34.6	-173.9	11.4	-17.5	0	0	0	112.5	H82 F84 T189 D190 L194 A195 Y196	H82-P192 HydrophobicContact CB-CG 4.3Å; F84-P192 HydrophobicContact CD2-CB 3.9Å; F84-P192 HydrophobicContact CD2-CG 3.89Å; F84-P192 HydrophobicContact CE2-CB 4.12Å; T189-P192 HydrophobicContact CG2-CB 4Å; D190-P192 VanDerWaalsContact C-CD 3.5Å; P192-L194 PolarHBondContact O-N 2.97Å; P192-A195 PolarHBondContact O-N 3.12Å; P192-A195 VanDerWaalsContact O-N 3.13Å; P192-Y196 HydrophobicContact CB-CD2 4.17Å; P192-Y196 WeakPolarHBondContact O-CA 3.33Å; P192-Y196 WeakPolarHBondContact O-CB 3.43Å; P192-Y196 PolarHBondContact O-N 3.4Å
193	E	92.6	Very high	96.1	Very high	92 Å²	92	54.9 Å²	54.9	43%	0.43	29%	0.294	S	S	.	.	H	α-helix	trans	-70.6	-24.6	-175	-73.4	60.4	110.2	0	0	111.9	H82 R85 A191	H82-E193 IonicContact CD2-OE2 3.67Å; R85-E193 IonicContact CZ-OE1 3.3Å; R85-E193 IonicContact NH2-OE1 2.74Å; R85-E193 PolarHBondContact NH2-OE1 2.82Å; A191-E193 PolarHBondContact O-N 3.41Å; A191-E193 VanDerWaalsContact O-N 3.15Å
194	L	94.8	Very high	96.2	Very high	152 Å²	152	56.8 Å²	56.8	80%	0.796	30%	0.301	S	S	*	.	H	α-helix	trans	-88	-37.3	172.5	-63	179.4	0	0	0	111.4	A191 P192	A191-L194 HydrophobicContact CB-CB 4.29Å; A191-L194 HydrophobicContact CB-CD1 4.07Å; A191-L194 HydrophobicContact CB-CG 4.34Å; A191-L194 PolarHBondContact O-N 3.5Å; A191-L194 VanDerWaalsContact O-N 3.08Å; P192-L194 PolarHBondContact O-N 2.97Å
195	A	95.1	Very high	96.2	Very high	31 Å²	31	57.2 Å²	57.2	26%	0.256	30%	0.3	S	S	.	.	H	α-helix	trans	-71.3	-32.6	-179.7	0	0	0	0	0	112.5	T189 A191 P192 Y201	T189-A195 HydrophobicContact CG2-CB 3.82Å; A191-A195 PolarHBondContact O-N 3.19Å; P192-A195 PolarHBondContact O-N 3.12Å; P192-A195 VanDerWaalsContact O-N 3.13Å; A195-Y201 WeakPolarHBondContact O-CE1 3.38Å
196	Y	97.1	Very high	96.2	Very high	21 Å²	21	57.5 Å²	57.5	8%	0.082	30%	0.301	C	S	.	.			trans	-132	78.6	-169.6	-53.6	-53.8	0	0	0	110.7	F84 L187 T189 P192 S198 Y201 I202 R205 L415	F84-Y196 HydrophobicContact CE2-CE2 4.33Å; L187-Y196 HydrophobicContact CD2-CE1 4.36Å; L187-Y196 WeakPolarHBondContact O-CE2 3.37Å; L187-Y196 PolarHBondContact O-OH 2.85Å; L187-Y196 VanDerWaalsContact O-OH 3.06Å; T189-Y196 HydrophobicContact CG2-CD2 4.38Å; T189-Y196 HydrophobicContact CG2-CE2 3.71Å; P192-Y196 HydrophobicContact CB-CD2 4.17Å; P192-Y196 WeakPolarHBondContact O-CA 3.33Å; P192-Y196 WeakPolarHBondContact O-CB 3.43Å; P192-Y196 PolarHBondContact O-N 3.4Å; Y196-S198 VanDerWaalsContact C-N 3.26Å; Y196-S198 PolarHBondContact O-N 2.96Å; Y196-Y201 AromaticContact CD1-CD1 3.92Å; Y196-Y201 HydrophobicContact CD1-CD1 3.92Å; Y196-Y201 AromaticContact CD1-CE1 3.98Å; Y196-Y201 HydrophobicContact CD1-CE1 3.98Å; Y196-Y201 HydrophobicContact CE1-CE1 4.44Å; Y196-I202 HydrophobicContact CD1-CB 4.18Å; Y196-I202 HydrophobicContact CD1-CD1 4.26Å; Y196-I202 HydrophobicContact CD1-CG1 4.13Å; Y196-I202 HydrophobicContact CD2-CD1 3.78Å; Y196-I202 HydrophobicContact CD2-CG1 4.49Å; Y196-I202 HydrophobicContact CE2-CD1 4.34Å; Y196-I202 HydrophobicContact CG-CB 4.2Å; Y196-I202 HydrophobicContact CG-CD1 3.73Å; Y196-I202 HydrophobicContact CG-CG1 4.09Å; Y196-R205 HydrophobicContact CE1-CB 4.19Å; Y196-R205 HydrophobicContact CE1-CG 3.97Å; Y196-L415 WeakPolarHBondContact O-CD1 3.36Å
197	P	96.3	Very high	96.2	Very high	96 Å²	96	60.1 Å²	60.1	62%	0.623	31%	0.313	S	S	*	.			trans	-74.9	-10.3	-173.9	29.8	-36.8	0	0	0	114.4	Y201	P197-Y201 HydrophobicContact CG-CG 4.48Å
198	S	97	Very high	96.1	Very high	53 Å²	53	62.1 Å²	62.1	37%	0.371	32%	0.322	S	S	.	.	S	Bend	trans	-157.6	159.6	-179	70	0	0	0	0	112.9	Y196 T200 Y201 I202	Y196-S198 VanDerWaalsContact C-N 3.26Å; Y196-S198 PolarHBondContact O-N 2.96Å; S198-T200 PolarHBondContact O-N 2.96Å; S198-Y201 PolarHBondContact O-N 3.4Å; S198-Y201 VanDerWaalsContact O-N 3.1Å; S198-Y201 PolarHBondContact OG-N 3.4Å; S198-I202 PolarHBondContact O-N 2.7Å; S198-I202 VanDerWaalsContact O-N 3.08Å
199	Q	97.3	Very high	96	Very high	40 Å²	40	59.5 Å²	59.5	19%	0.187	31%	0.306	C	S	.	.	H	α-helix	trans	-55.9	-47.8	175.6	-71.1	179.8	20.5	0	0	112.1	Y201 I202 W203 D360 L415	Q199-Y201 VanDerWaalsContact C-N 3.26Å; Q199-Y201 PolarHBondContact O-N 2.83Å; Q199-I202 WeakPolarHBondContact O-CG2 3.34Å; Q199-I202 PolarHBondContact O-N 2.92Å; Q199-W203 WeakPolarHBondContact O-CB 3.24Å; Q199-W203 VanDerWaalsContact O-CD1 3.3Å; Q199-W203 PolarHBondContact O-N 3.33Å; Q199-D360 PolarHBondContact NE2-OD2 3.22Å; Q199-L415 HydrophobicContact CG-CB 3.91Å; Q199-L415 PolarHBondContact NE2-O 3.44Å
200	T	95.4	Very high	96.1	Very high	50 Å²	50	59.2 Å²	59.2	31%	0.307	30%	0.301	S	S	.	.	H	α-helix	trans	-56.8	-38.5	175.5	-63	0	0	0	0	112.6	S198 R204 E329	S198-T200 PolarHBondContact O-N 2.96Å; T200-R204 WeakPolarHBondContact O-CG 3.47Å; T200-R204 PolarHBondContact O-N 3.4Å; T200-E329 WeakPolarHBondContact CB-OE1 3.48Å; T200-E329 WeakPolarHBondContact CG2-OE1 3.29Å; T200-E329 PolarHBondContact OG1-OE1 3.48Å
201	Y	96.1	Very high	96	Very high	123 Å²	123	56.4 Å²	56.4	48%	0.482	29%	0.285	S	S	.	.	H	α-helix	trans	-70.9	-46.6	-178.8	-172.2	-82.3	0	0	0	111.6	A195 Y196 P197 S198 Q199 W203 R204 R205	A195-Y201 WeakPolarHBondContact O-CE1 3.38Å; Y196-Y201 AromaticContact CD1-CD1 3.92Å; Y196-Y201 HydrophobicContact CD1-CD1 3.92Å; Y196-Y201 AromaticContact CD1-CE1 3.98Å; Y196-Y201 HydrophobicContact CD1-CE1 3.98Å; Y196-Y201 HydrophobicContact CE1-CE1 4.44Å; P197-Y201 HydrophobicContact CG-CG 4.48Å; S198-Y201 PolarHBondContact O-N 3.4Å; S198-Y201 VanDerWaalsContact O-N 3.1Å; S198-Y201 PolarHBondContact OG-N 3.4Å; Q199-Y201 VanDerWaalsContact C-N 3.26Å; Q199-Y201 PolarHBondContact O-N 2.83Å; Y201-W203 PolarHBondContact O-N 2.72Å; Y201-R204 PolarHBondContact O-N 3.4Å; Y201-R205 PolarHBondContact O-N 3.09Å
202	I	97.4	Very high	96.1	Very high	0 Å²	0	54.3 Å²	54.3	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-65.5	-38.5	178.8	-169.2	154.9	0	0	0	111.9	L187 Y196 S198 Q199 R204 R205 F206 V413 L414 L415	L187-I202 HydrophobicContact CD1-CD1 4.19Å; L187-I202 HydrophobicContact CD1-CG1 3.99Å; L187-I202 HydrophobicContact CD2-CG1 4.37Å; Y196-I202 HydrophobicContact CD1-CB 4.18Å; Y196-I202 HydrophobicContact CD1-CD1 4.26Å; Y196-I202 HydrophobicContact CD1-CG1 4.13Å; Y196-I202 HydrophobicContact CD2-CD1 3.78Å; Y196-I202 HydrophobicContact CD2-CG1 4.49Å; Y196-I202 HydrophobicContact CE2-CD1 4.34Å; Y196-I202 HydrophobicContact CG-CB 4.2Å; Y196-I202 HydrophobicContact CG-CD1 3.73Å; Y196-I202 HydrophobicContact CG-CG1 4.09Å; S198-I202 PolarHBondContact O-N 2.7Å; S198-I202 VanDerWaalsContact O-N 3.08Å; Q199-I202 WeakPolarHBondContact O-CG2 3.34Å; Q199-I202 PolarHBondContact O-N 2.92Å; I202-R204 VanDerWaalsContact C-N 3.35Å; I202-R204 PolarHBondContact O-N 2.86Å; I202-R205 PolarHBondContact O-N 2.87Å; I202-R205 VanDerWaalsContact O-N 3.13Å; I202-F206 VanDerWaalsContact O-CB 3.26Å; I202-F206 WeakPolarHBondContact O-CB 3.33Å; I202-F206 PolarHBondContact O-N 3.07Å; I202-V413 HydrophobicContact CD1-CG1 4.22Å; I202-V413 WeakPolarHBondContact CD1-O 3.19Å; I202-L414 HydrophobicContact CG1-CD2 4.35Å; I202-L415 HydrophobicContact CG2-CD1 4.03Å; I202-L415 HydrophobicContact CG2-CG 4.3Å
203	W	97.9	Very high	96.2	Very high	23 Å²	23	54.5 Å²	54.5	9%	0.087	27%	0.27	C	S	.	.	H	α-helix	trans	-59.5	-42	175.7	-92.5	103.6	0	0	0	112.6	Q199 Y201 R205 F206 E207 N326 L414	Q199-W203 WeakPolarHBondContact O-CB 3.24Å; Q199-W203 VanDerWaalsContact O-CD1 3.3Å; Q199-W203 PolarHBondContact O-N 3.33Å; Y201-W203 PolarHBondContact O-N 2.72Å; W203-R205 VanDerWaalsContact C-N 3.34Å; W203-R205 PolarHBondContact O-N 3.01Å; W203-F206 HydrophobicContact CD2-CD1 4.47Å; W203-F206 AromaticContact CE3-CD1 3.74Å; W203-F206 HydrophobicContact CE3-CD1 3.74Å; W203-F206 HydrophobicContact CE3-CE1 4.39Å; W203-F206 HydrophobicContact CH2-CD1 4.32Å; W203-F206 HydrophobicContact CH2-CE1 4.18Å; W203-F206 AromaticContact CZ3-CD1 3.65Å; W203-F206 HydrophobicContact CZ3-CD1 3.65Å; W203-F206 AromaticContact CZ3-CE1 3.84Å; W203-F206 HydrophobicContact CZ3-CE1 3.84Å; W203-F206 WeakPolarHBondContact O-CB 3.28Å; W203-F206 PolarHBondContact O-N 2.92Å; W203-E207 WeakPolarHBondContact O-CG 3.33Å; W203-E207 PolarHBondContact O-N 3.05Å; W203-N326 HydrophobicContact CB-CB 4.48Å; W203-N326 HydrophobicContact CD2-CB 3.63Å; W203-N326 HydrophobicContact CE3-CB 3.71Å; W203-N326 HydrophobicContact CG-CB 3.99Å; W203-N326 HydrophobicContact CZ2-CB 4.5Å; W203-N326 HydrophobicContact CZ3-CB 4.2Å; W203-L414 HydrophobicContact CH2-CD1 4.35Å; W203-L414 HydrophobicContact CZ2-CD1 3.86Å
204	R	95.6	Very high	96.3	Very high	165 Å²	165	51.6 Å²	51.6	62%	0.623	26%	0.259	S	S	*	.	H	α-helix	trans	-61.2	-43	174.9	-71.8	173.4	-174.2	-179.3	3.5	112.1	T200 Y201 I202 F206 E208	T200-R204 WeakPolarHBondContact O-CG 3.47Å; T200-R204 PolarHBondContact O-N 3.4Å; Y201-R204 PolarHBondContact O-N 3.4Å; I202-R204 VanDerWaalsContact C-N 3.35Å; I202-R204 PolarHBondContact O-N 2.86Å; R204-F206 VanDerWaalsContact C-N 3.34Å; R204-E208 WeakPolarHBondContact O-CB 3.17Å; R204-E208 PolarHBondContact O-N 3.39Å; R204-E208 VanDerWaalsContact O-N 3.13Å
205	R	96.4	Very high	96.3	Very high	38 Å²	38	45 Å²	45	14%	0.143	23%	0.228	C	C	.	.	H	α-helix	trans	-66.1	-40.8	176.9	179.2	65.8	-170.6	101.8	10.5	111	R183 N184 T186 L187 Y196 Y201 I202 W203 E208 V209	R183-R205 PolarHBondContact O-NH2 3.18Å; N184-R205 VanDerWaalsContact CA-NH2 3.33Å; N184-R205 PolarHBondContact O-NH1 3.45Å; N184-R205 PolarHBondContact O-NH2 3.34Å; T186-R205 PolarHBondContact O-NH2 2.8Å; L187-R205 HydrophobicContact CD2-CB 4.01Å; L187-R205 HydrophobicContact CD2-CG 3.42Å; L187-R205 VanDerWaalsContact CD2-CG 3.42Å; Y196-R205 HydrophobicContact CE1-CB 4.19Å; Y196-R205 HydrophobicContact CE1-CG 3.97Å; Y201-R205 PolarHBondContact O-N 3.09Å; I202-R205 PolarHBondContact O-N 2.87Å; I202-R205 VanDerWaalsContact O-N 3.13Å; W203-R205 VanDerWaalsContact C-N 3.34Å; W203-R205 PolarHBondContact O-N 3.01Å; R205-E208 WeakPolarHBondContact O-CB 3.28Å; R205-E208 PolarHBondContact O-N 3.34Å; R205-V209 VanDerWaalsContact NH1-CG2 3.34Å; R205-V209 PolarHBondContact O-N 3.21Å
206	F	98	Very high	96.4	Very high	8 Å²	8	43.5 Å²	43.5	4%	0.035	22%	0.216	C	C	.	.	H	α-helix	trans	-61	-52.1	179.3	-175.8	-127.1	0	0	0	111.4	L187 I202 W203 R204 E208 V209 F210 L414 D441 I444 F445	L187-F206 HydrophobicContact CD1-CB 4.23Å; L187-F206 HydrophobicContact CD1-CD2 3.73Å; L187-F206 HydrophobicContact CD1-CG 4.34Å; L187-F206 HydrophobicContact CG-CD2 4.4Å; I202-F206 VanDerWaalsContact O-CB 3.26Å; I202-F206 WeakPolarHBondContact O-CB 3.33Å; I202-F206 PolarHBondContact O-N 3.07Å; W203-F206 HydrophobicContact CD2-CD1 4.47Å; W203-F206 AromaticContact CE3-CD1 3.74Å; W203-F206 HydrophobicContact CE3-CD1 3.74Å; W203-F206 HydrophobicContact CE3-CE1 4.39Å; W203-F206 HydrophobicContact CH2-CD1 4.32Å; W203-F206 HydrophobicContact CH2-CE1 4.18Å; W203-F206 AromaticContact CZ3-CD1 3.65Å; W203-F206 HydrophobicContact CZ3-CD1 3.65Å; W203-F206 AromaticContact CZ3-CE1 3.84Å; W203-F206 HydrophobicContact CZ3-CE1 3.84Å; W203-F206 WeakPolarHBondContact O-CB 3.28Å; W203-F206 PolarHBondContact O-N 2.92Å; R204-F206 VanDerWaalsContact C-N 3.34Å; F206-E208 PolarHBondContact O-N 3.04Å; F206-V209 WeakPolarHBondContact O-CB 3.31Å; F206-V209 PolarHBondContact O-N 3.17Å; F206-F210 HydrophobicContact CD1-CE2 4.09Å; F206-F210 HydrophobicContact CD2-CE2 4.04Å; F206-F210 AromaticContact CE1-CE2 3.79Å; F206-F210 HydrophobicContact CE1-CE2 3.79Å; F206-F210 HydrophobicContact CE1-CZ 4.36Å; F206-F210 AromaticContact CE2-CE2 3.74Å; F206-F210 HydrophobicContact CE2-CE2 3.74Å; F206-F210 HydrophobicContact CE2-CZ 4.13Å; F206-F210 HydrophobicContact CG-CE2 4.22Å; F206-F210 AromaticContact CZ-CE2 3.62Å; F206-F210 HydrophobicContact CZ-CE2 3.62Å; F206-F210 AromaticContact CZ-CZ 3.89Å; F206-F210 HydrophobicContact CZ-CZ 3.89Å; F206-F210 VanDerWaalsContact O-CD2 3.24Å; F206-F210 WeakPolarHBondContact O-CD2 3.14Å; F206-F210 PolarHBondContact O-N 3.31Å; F206-L414 HydrophobicContact CD1-CD2 4.23Å; F206-L414 HydrophobicContact CE1-CD1 4.35Å; F206-L414 HydrophobicContact CG-CD2 4.22Å; F206-D441 HydrophobicContact CE2-CB 4.16Å; F206-D441 HydrophobicContact CZ-CB 4.11Å; F206-D441 VanDerWaalsContact CZ-OD2 3.29Å; F206-D441 WeakPolarHBondContact CZ-OD2 3.36Å; F206-I444 HydrophobicContact CD2-CD1 4.26Å; F206-I444 HydrophobicContact CD2-CG2 3.69Å; F206-I444 HydrophobicContact CE2-CB 4.17Å; F206-I444 HydrophobicContact CE2-CD1 3.74Å; F206-I444 HydrophobicContact CE2-CG2 3.7Å; F206-F445 HydrophobicContact CD2-CE1 4.47Å; F206-F445 AromaticContact CE2-CE1 3.78Å; F206-F445 HydrophobicContact CE2-CE1 3.78Å; F206-F445 HydrophobicContact CE2-CZ 4.11Å; F206-F445 HydrophobicContact CZ-CE1 4.31Å; F206-F445 HydrophobicContact CZ-CZ 4.23Å
207	E	96.4	Very high	96.4	Very high	69 Å²	69	42.5 Å²	42.5	32%	0.322	21%	0.212	S	C	.	.	H	α-helix	trans	-59.2	-36.5	174.4	-71.5	-177.5	165.8	0	0	112.4	W203 V209 F210 L211 H292	W203-E207 WeakPolarHBondContact O-CG 3.33Å; W203-E207 PolarHBondContact O-N 3.05Å; E207-V209 VanDerWaalsContact C-N 3.32Å; E207-V209 PolarHBondContact O-N 2.98Å; E207-F210 PolarHBondContact O-N 2.91Å; E207-L211 PolarHBondContact O-N 2.83Å; E207-L211 VanDerWaalsContact O-N 3.14Å; E207-H292 IonicContact OE1-CE1 3.2Å; E207-H292 IonicContact OE1-NE2 3.98Å; E207-H292 PolarHBondContact OE1-NE2 2.88Å
208	E	95.4	Very high	96.5	Very high	41 Å²	41	38.2 Å²	38.2	19%	0.192	18%	0.184	C	C	.	.	H	α-helix	trans	-65	-34.6	176.1	-176.2	165.7	-143.9	0	0	112.6	T140 R142 R204 R205 F206 F210 L211 I212	T140-E208 VanDerWaalsContact CB-OE1 3.23Å; T140-E208 WeakPolarHBondContact CB-OE1 3.41Å; T140-E208 VanDerWaalsContact CG2-CD 3.4Å; T140-E208 WeakPolarHBondContact CG2-OE1 3.37Å; T140-E208 WeakPolarHBondContact CG2-OE2 3.43Å; T140-E208 PolarHBondContact OG1-OE1 3.47Å; R142-E208 IonicContact CZ-OE1 2.84Å; R142-E208 IonicContact NH1-OE1 3.45Å; R142-E208 PolarHBondContact NH1-OE1 3.33Å; R142-E208 IonicContact NH2-OE1 3.72Å; R142-E208 PolarHBondContact NH2-OE1 3.1Å; R204-E208 WeakPolarHBondContact O-CB 3.17Å; R204-E208 PolarHBondContact O-N 3.39Å; R204-E208 VanDerWaalsContact O-N 3.13Å; R205-E208 WeakPolarHBondContact O-CB 3.28Å; R205-E208 PolarHBondContact O-N 3.34Å; F206-E208 PolarHBondContact O-N 3.04Å; E208-F210 VanDerWaalsContact C-N 3.33Å; E208-F210 PolarHBondContact O-N 3.5Å; E208-L211 PolarHBondContact O-N 3.14Å; E208-I212 HydrophobicContact CG-CD1 3.95Å; E208-I212 HydrophobicContact CG-CG1 4.29Å; E208-I212 WeakPolarHBondContact O-CD1 3.37Å; E208-I212 WeakPolarHBondContact O-CG1 3.3Å; E208-I212 PolarHBondContact O-N 3.48Å
209	V	97.2	Very high	96.6	Very high	3 Å²	3	36.7 Å²	36.7	2%	0.018	17%	0.171	C	C	.	.	H	α-helix	trans	-56.8	-47.3	173.6	171.1	0	0	0	0	110.7	L185 R205 F206 E207 L211 I212 A213 I444	L185-V209 WeakPolarHBondContact O-CG1 3.41Å; R205-V209 VanDerWaalsContact NH1-CG2 3.34Å; R205-V209 PolarHBondContact O-N 3.21Å; F206-V209 WeakPolarHBondContact O-CB 3.31Å; F206-V209 PolarHBondContact O-N 3.17Å; E207-V209 VanDerWaalsContact C-N 3.32Å; E207-V209 PolarHBondContact O-N 2.98Å; V209-L211 VanDerWaalsContact C-N 3.34Å; V209-L211 PolarHBondContact O-N 2.72Å; V209-I212 PolarHBondContact O-N 2.85Å; V209-A213 WeakPolarHBondContact O-CB 3.41Å; V209-A213 PolarHBondContact O-N 3.04Å; V209-I444 HydrophobicContact CG1-CD1 3.87Å; V209-I444 HydrophobicContact CG1-CG1 3.93Å; V209-I444 HydrophobicContact CG1-CG2 4.21Å; V209-I444 HydrophobicContact CG2-CG2 4.45Å
210	F	96.8	Very high	96.6	Very high	41 Å²	41	35 Å²	35	18%	0.18	16%	0.163	C	C	.	.	H	α-helix	trans	-62.7	-40	177.6	-68	-82.4	0	0	0	112.5	A114 F206 E207 E208 I212 A213 S214 D441 I444	A114-F210 HydrophobicContact CB-CE1 4.16Å; F206-F210 HydrophobicContact CD1-CE2 4.09Å; F206-F210 HydrophobicContact CD2-CE2 4.04Å; F206-F210 AromaticContact CE1-CE2 3.79Å; F206-F210 HydrophobicContact CE1-CE2 3.79Å; F206-F210 HydrophobicContact CE1-CZ 4.36Å; F206-F210 AromaticContact CE2-CE2 3.74Å; F206-F210 HydrophobicContact CE2-CE2 3.74Å; F206-F210 HydrophobicContact CE2-CZ 4.13Å; F206-F210 HydrophobicContact CG-CE2 4.22Å; F206-F210 AromaticContact CZ-CE2 3.62Å; F206-F210 HydrophobicContact CZ-CE2 3.62Å; F206-F210 AromaticContact CZ-CZ 3.89Å; F206-F210 HydrophobicContact CZ-CZ 3.89Å; F206-F210 VanDerWaalsContact O-CD2 3.24Å; F206-F210 WeakPolarHBondContact O-CD2 3.14Å; F206-F210 PolarHBondContact O-N 3.31Å; E207-F210 PolarHBondContact O-N 2.91Å; E208-F210 VanDerWaalsContact C-N 3.33Å; E208-F210 PolarHBondContact O-N 3.5Å; F210-I212 VanDerWaalsContact C-N 3.31Å; F210-I212 PolarHBondContact O-N 3Å; F210-A213 PolarHBondContact O-N 2.79Å; F210-S214 WeakPolarHBondContact O-CB 3.29Å; F210-S214 PolarHBondContact O-N 3.2Å; F210-D441 WeakPolarHBondContact CE1-OD1 3.42Å; F210-D441 WeakPolarHBondContact CZ-OD1 3.47Å; F210-I444 HydrophobicContact CD1-CD1 4.31Å; F210-I444 HydrophobicContact CD2-CD1 4.22Å; F210-I444 HydrophobicContact CE1-CD1 3.73Å; F210-I444 HydrophobicContact CE2-CD1 3.62Å; F210-I444 HydrophobicContact CZ-CD1 3.36Å
211	L	93.8	Very high	96.8	Very high	94 Å²	94	35.2 Å²	35.2	49%	0.492	17%	0.166	S	C	.	.	H	α-helix	trans	-62.8	-39.8	177.1	-178.5	60.7	0	0	0	111.7	E207 E208 V209	E207-L211 PolarHBondContact O-N 2.83Å; E207-L211 VanDerWaalsContact O-N 3.14Å; E208-L211 PolarHBondContact O-N 3.14Å; V209-L211 VanDerWaalsContact C-N 3.34Å; V209-L211 PolarHBondContact O-N 2.72Å
212	I	95.6	Very high	96.9	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-64.7	-52.7	175.5	-63.9	164	0	0	0	110	V141 F143 N184 L185 E208 V209 F210 S214 G215	V141-I212 HydrophobicContact CG2-CG2 3.77Å; V141-I212 WeakPolarHBondContact O-CG1 3.36Å; F143-I212 HydrophobicContact CD2-CG2 3.85Å; F143-I212 HydrophobicContact CE2-CG2 3.55Å; N184-I212 HydrophobicContact CB-CD1 4.31Å; N184-I212 VanDerWaalsContact O-CD1 3.27Å; N184-I212 WeakPolarHBondContact O-CD1 3.22Å; L185-I212 HydrophobicContact CD2-CB 4.21Å; L185-I212 HydrophobicContact CD2-CG2 3.64Å; L185-I212 HydrophobicContact CG-CG2 4.32Å; E208-I212 HydrophobicContact CG-CD1 3.95Å; E208-I212 HydrophobicContact CG-CG1 4.29Å; E208-I212 WeakPolarHBondContact O-CD1 3.37Å; E208-I212 WeakPolarHBondContact O-CG1 3.3Å; E208-I212 PolarHBondContact O-N 3.48Å; V209-I212 PolarHBondContact O-N 2.85Å; F210-I212 VanDerWaalsContact C-N 3.31Å; F210-I212 PolarHBondContact O-N 3Å; I212-S214 VanDerWaalsContact C-N 3.32Å; I212-S214 PolarHBondContact O-N 2.81Å; I212-G215 PolarHBondContact O-N 3.03Å
213	A	97.4	Very high	97	Very high	4 Å²	4	29.6 Å²	29.6	3%	0.033	14%	0.144	C	C	.	.	H	α-helix	trans	-61.7	-38.7	-177.4	0	0	0	0	0	112.3	L121 L185 V209 F210 G215 L216 I217	L121-A213 HydrophobicContact CD1-CB 4.42Å; L185-A213 HydrophobicContact CD2-CB 3.92Å; V209-A213 WeakPolarHBondContact O-CB 3.41Å; V209-A213 PolarHBondContact O-N 3.04Å; F210-A213 PolarHBondContact O-N 2.79Å; A213-G215 PolarHBondContact O-N 2.89Å; A213-L216 PolarHBondContact O-N 3.17Å; A213-I217 HydrophobicContact CB-CD1 3.91Å; A213-I217 WeakPolarHBondContact O-CG1 3.31Å; A213-I217 PolarHBondContact O-N 3.17Å
214	S	95.8	Very high	97	Very high	31 Å²	31	32.3 Å²	32.3	22%	0.217	16%	0.156	C	C	.	.	H	α-helix	trans	-54.6	-37.3	179.1	178.5	0	0	0	0	113	F210 I212 L216 I217 C218	F210-S214 WeakPolarHBondContact O-CB 3.29Å; F210-S214 PolarHBondContact O-N 3.2Å; I212-S214 VanDerWaalsContact C-N 3.32Å; I212-S214 PolarHBondContact O-N 2.81Å; S214-L216 VanDerWaalsContact C-N 3.26Å; S214-L216 PolarHBondContact O-N 2.75Å; S214-I217 PolarHBondContact O-N 3.05Å; S214-C218 WeakPolarHBondContact O-CB 3.27Å; S214-C218 PolarHBondContact O-N 2.95Å; S214-C218 PolarHBondContact O-SG 3.34Å; S214-C218 PolarHBondContact OG-SG 3.44Å; S214-C218 VanDerWaalsContact OG-SG 3.35Å
215	G	93.6	Very high	97.2	Very high	14 Å²	14	26.1 Å²	26.1	14%	0.144	14%	0.14	C	C	.	.	H	α-helix	trans	-60	-34.9	176.9	0	0	0	0	0	113.5	F143 I212 A213 Y252	F143-G215 VanDerWaalsContact O-CA 3.26Å; F143-G215 WeakPolarHBondContact O-CA 3.45Å; I212-G215 PolarHBondContact O-N 3.03Å; A213-G215 PolarHBondContact O-N 2.89Å; G215-Y252 PolarHBondContact O-OH 3.25Å
216	L	97.7	Very high	97.3	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-82.7	-52.8	175.3	-64.7	171.3	0	0	0	111.3	L121 T126 F143 F145 A213 S214 C218 Y219 V222	L121-L216 HydrophobicContact CB-CD1 4.32Å; L121-L216 HydrophobicContact CD2-CB 4.36Å; T126-L216 HydrophobicContact CG2-CD1 3.69Å; T126-L216 HydrophobicContact CG2-CD2 3.93Å; T126-L216 HydrophobicContact CG2-CG 4.49Å; F143-L216 HydrophobicContact CB-CD2 3.5Å; F143-L216 VanDerWaalsContact CB-CD2 3.5Å; F143-L216 HydrophobicContact CB-CG 3.63Å; F143-L216 HydrophobicContact CD1-CD2 3.9Å; F143-L216 HydrophobicContact CD1-CG 4.36Å; F143-L216 HydrophobicContact CD2-CD1 3.76Å; F143-L216 HydrophobicContact CD2-CD2 4.15Å; F143-L216 HydrophobicContact CD2-CG 3.69Å; F143-L216 HydrophobicContact CE2-CD1 3.98Å; F143-L216 HydrophobicContact CE2-CG 4.41Å; F143-L216 HydrophobicContact CG-CD1 4.07Å; F143-L216 HydrophobicContact CG-CD2 3.59Å; F143-L216 HydrophobicContact CG-CG 3.64Å; F143-L216 HydrophobicContact CZ-CD1 4.49Å; F145-L216 HydrophobicContact CE2-CD2 3.9Å; F145-L216 HydrophobicContact CZ-CD2 4.36Å; A213-L216 PolarHBondContact O-N 3.17Å; S214-L216 VanDerWaalsContact C-N 3.26Å; S214-L216 PolarHBondContact O-N 2.75Å; L216-C218 PolarHBondContact O-N 2.77Å; L216-Y219 PolarHBondContact O-N 3.39Å; L216-V222 WeakPolarHBondContact O-CG1 3.47Å
217	I	98.3	Very high	97.3	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-66.6	-35.9	-170.4	-62.7	168	0	0	0	111.6	Y113 L121 A213 S214 Y219 F223 Y226	Y113-I217 HydrophobicContact CD1-CB 4.36Å; Y113-I217 HydrophobicContact CD1-CD1 4Å; Y113-I217 HydrophobicContact CD1-CG2 3.71Å; Y113-I217 HydrophobicContact CD2-CD1 4.46Å; Y113-I217 HydrophobicContact CE1-CB 4.32Å; Y113-I217 HydrophobicContact CE1-CG2 3.53Å; Y113-I217 HydrophobicContact CG-CD1 3.85Å; Y113-I217 HydrophobicContact CG-CG2 4.47Å; L121-I217 HydrophobicContact CD1-CD1 4.26Å; L121-I217 HydrophobicContact CD1-CG1 4.46Å; L121-I217 HydrophobicContact CD2-CD1 4.42Å; L121-I217 HydrophobicContact CD2-CG1 3.79Å; A213-I217 HydrophobicContact CB-CD1 3.91Å; A213-I217 WeakPolarHBondContact O-CG1 3.31Å; A213-I217 PolarHBondContact O-N 3.17Å; S214-I217 PolarHBondContact O-N 3.05Å; I217-Y219 PolarHBondContact O-N 2.93Å; I217-Y219 VanDerWaalsContact O-N 3.1Å; I217-F223 HydrophobicContact CG2-CD2 4.21Å; I217-F223 WeakPolarHBondContact O-CA 3.49Å; I217-F223 WeakPolarHBondContact O-CB 3.49Å; I217-F223 PolarHBondContact O-N 3.38Å; I217-Y226 HydrophobicContact CD1-CD1 4.33Å; I217-Y226 HydrophobicContact CD1-CD2 4.06Å; I217-Y226 HydrophobicContact CD1-CE1 3.94Å; I217-Y226 HydrophobicContact CD1-CE2 3.65Å; I217-Y226 HydrophobicContact CD1-CG 4.41Å; I217-Y226 HydrophobicContact CG1-CD1 4.43Å; I217-Y226 HydrophobicContact CG1-CD2 3.88Å; I217-Y226 HydrophobicContact CG1-CE2 3.99Å; I217-Y226 HydrophobicContact CG1-CG 4.14Å; I217-Y226 HydrophobicContact CG2-CD1 3.95Å; I217-Y226 HydrophobicContact CG2-CE1 4.42Å; I217-Y226 HydrophobicContact CG2-CG 4.13Å
218	C	98	Very high	97.4	Very high	5 Å²	5	23.5 Å²	23.5	3%	0.034	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.2	-1.9	-178	-69.5	0	0	0	0	114.4	Y113 S214 L216 V251 Y252	Y113-C218 PolarHBondContact OH-SG 3.4Å; S214-C218 WeakPolarHBondContact O-CB 3.27Å; S214-C218 PolarHBondContact O-N 2.95Å; S214-C218 PolarHBondContact O-SG 3.34Å; S214-C218 PolarHBondContact OG-SG 3.44Å; S214-C218 VanDerWaalsContact OG-SG 3.35Å; L216-C218 PolarHBondContact O-N 2.77Å; C218-V251 CarbonylContact O-C 3.56Å; C218-V251 VanDerWaalsContact O-CA 3.3Å; C218-V251 WeakPolarHBondContact O-CA 3.47Å; C218-V251 VanDerWaalsContact O-CG1 3.3Å; C218-V251 WeakPolarHBondContact O-CG1 3.37Å; C218-Y252 VanDerWaalsContact C-CE1 3.43Å; C218-Y252 HydrophobicContact CB-CD1 3.68Å; C218-Y252 HydrophobicContact CB-CE1 3.59Å; C218-Y252 WeakPolarHBondContact O-CD1 3.41Å; C218-Y252 WeakPolarHBondContact O-CE1 3.44Å; C218-Y252 PolarHBondContact O-N 3.5Å
219	Y	98.3	Very high	97.6	Very high	22 Å²	22	24.5 Å²	24.5	9%	0.086	13%	0.133	C	C	.	.	B	Isolated β-bridge	trans	-78.1	123.4	171.4	171.2	-136.4	0	0	0	110	M128 F145 L216 I217 P221 V222 F223 Y252 L254	M128-Y219 HydrophobicContact CE-CE1 3.92Å; F145-Y219 HydrophobicContact CB-CD1 3.85Å; F145-Y219 HydrophobicContact CB-CD2 4Å; F145-Y219 HydrophobicContact CB-CE1 4.27Å; F145-Y219 HydrophobicContact CB-CE2 4.42Å; F145-Y219 HydrophobicContact CB-CG 3.72Å; F145-Y219 AromaticContact CD1-CD1 3.66Å; F145-Y219 HydrophobicContact CD1-CD1 3.66Å; F145-Y219 AromaticContact CD1-CE1 3.79Å; F145-Y219 HydrophobicContact CD1-CE1 3.79Å; F145-Y219 HydrophobicContact CD1-CG 4.39Å; F145-Y219 VanDerWaalsContact CD2-CB 3.46Å; F145-Y219 AromaticContact CD2-CD1 3.45Å; F145-Y219 HydrophobicContact CD2-CD1 3.45Å; F145-Y219 VanDerWaalsContact CD2-CD1 3.45Å; F145-Y219 HydrophobicContact CD2-CE1 4.39Å; F145-Y219 AromaticContact CD2-CG 3.65Å; F145-Y219 HydrophobicContact CD2-CG 3.65Å; F145-Y219 AromaticContact CE1-CD1 3.98Å; F145-Y219 HydrophobicContact CE1-CD1 3.98Å; F145-Y219 HydrophobicContact CE1-CE1 4.15Å; F145-Y219 AromaticContact CE2-CD1 3.78Å; F145-Y219 HydrophobicContact CE2-CD1 3.78Å; F145-Y219 HydrophobicContact CE2-CG 4.32Å; F145-Y219 AromaticContact CG-CD1 3.36Å; F145-Y219 HydrophobicContact CG-CD1 3.36Å; F145-Y219 HydrophobicContact CG-CD2 4.41Å; F145-Y219 AromaticContact CG-CE1 3.9Å; F145-Y219 HydrophobicContact CG-CE1 3.9Å; F145-Y219 AromaticContact CG-CG 3.67Å; F145-Y219 HydrophobicContact CG-CG 3.67Å; F145-Y219 HydrophobicContact CZ-CD1 4.02Å; L216-Y219 PolarHBondContact O-N 3.39Å; I217-Y219 PolarHBondContact O-N 2.93Å; I217-Y219 VanDerWaalsContact O-N 3.1Å; Y219-P221 HydrophobicContact CE1-CB 4.19Å; Y219-P221 HydrophobicContact CE1-CG 3.92Å; Y219-P221 HydrophobicContact CE2-CG 3.85Å; Y219-P221 VanDerWaalsContact CZ-CD 3.4Å; Y219-P221 VanDerWaalsContact O-N 3.13Å; Y219-V222 HydrophobicContact CD1-CB 4.28Å; Y219-V222 HydrophobicContact CD1-CG2 3.61Å; Y219-V222 HydrophobicContact CE1-CG2 4.33Å; Y219-V222 HydrophobicContact CG-CG2 4.47Å; Y219-V222 CarbonylContact O-C 3.59Å; Y219-V222 WeakPolarHBondContact O-CA 3.32Å; Y219-V222 WeakPolarHBondContact O-CB 3.25Å; Y219-V222 PolarHBondContact O-N 3.25Å; Y219-F223 PolarHBondContact O-N 2.71Å; Y219-Y252 HydrophobicContact CD2-CE2 4.33Å; Y219-L254 HydrophobicContact CE2-CD2 3.81Å; Y219-L254 HydrophobicContact CE2-CG 3.69Å; Y219-L254 WeakPolarHBondContact OH-CG 3.35Å
220	A	98.5	Very high	97.7	Very high	4 Å²	4	24.4 Å²	24.4	3%	0.033	13%	0.132	C	C	.	.	H	α-helix	trans	-50.5	-42.9	-164.5	0	0	0	0	0	116.3	K224 V251 Y252 E253 W263	A220-K224 WeakPolarHBondContact O-CG 3.24Å; A220-K224 PolarHBondContact O-N 2.62Å; A220-V251 HydrophobicContact CB-CG1 3.7Å; A220-Y252 PolarHBondContact N-O 3.01Å; A220-E253 WeakPolarHBondContact CB-OE1 3.4Å; A220-W263 HydrophobicContact CB-CH2 3.9Å; A220-W263 HydrophobicContact CB-CZ2 4.31Å
221	P	98.4	Very high	97.8	Very high	55 Å²	55	22.4 Å²	22.4	36%	0.357	12%	0.123	S	C	.	.	H	α-helix	trans	-66.5	-40	173.8	-24.4	38.3	0	0	0	113.4	Y219 A225	Y219-P221 HydrophobicContact CE1-CB 4.19Å; Y219-P221 HydrophobicContact CE1-CG 3.92Å; Y219-P221 HydrophobicContact CE2-CG 3.85Å; Y219-P221 VanDerWaalsContact CZ-CD 3.4Å; Y219-P221 VanDerWaalsContact O-N 3.13Å; P221-A225 WeakPolarHBondContact O-CB 3.4Å; P221-A225 PolarHBondContact O-N 3.14Å; P221-A225 VanDerWaalsContact O-N 3.09Å
222	V	98.7	Very high	98	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-67.6	-41.7	175.8	176.8	0	0	0	0	110	W120 A125 M128 F145 L216 Y219 K224 A225 Y226	W120-V222 HydrophobicContact CH2-CG1 4.17Å; W120-V222 HydrophobicContact CZ3-CG1 3.97Å; A125-V222 HydrophobicContact CB-CG1 4.04Å; A125-V222 HydrophobicContact CB-CG2 4.25Å; M128-V222 HydrophobicContact CE-CG2 4.05Å; M128-V222 HydrophobicContact SD-CG2 3.52Å; M128-V222 VanDerWaalsContact SD-CG2 3.52Å; F145-V222 HydrophobicContact CE2-CG2 4.05Å; F145-V222 HydrophobicContact CZ-CG2 4.03Å; L216-V222 WeakPolarHBondContact O-CG1 3.47Å; Y219-V222 HydrophobicContact CD1-CB 4.28Å; Y219-V222 HydrophobicContact CD1-CG2 3.61Å; Y219-V222 HydrophobicContact CE1-CG2 4.33Å; Y219-V222 HydrophobicContact CG-CG2 4.47Å; Y219-V222 CarbonylContact O-C 3.59Å; Y219-V222 WeakPolarHBondContact O-CA 3.32Å; Y219-V222 WeakPolarHBondContact O-CB 3.25Å; Y219-V222 PolarHBondContact O-N 3.25Å; V222-K224 VanDerWaalsContact C-N 3.33Å; V222-K224 PolarHBondContact O-N 3.43Å; V222-A225 PolarHBondContact O-N 3.15Å; V222-Y226 WeakPolarHBondContact O-CA 3.47Å; V222-Y226 WeakPolarHBondContact O-CB 3.33Å; V222-Y226 PolarHBondContact O-N 3.18Å
223	F	98.8	Very high	98.1	Very high	4 Å²	4	20.9 Å²	20.9	2%	0.018	12%	0.115	C	C	.	.	H	α-helix	trans	-53.5	-49.1	176.5	-177.5	-103.3	0	0	0	112.1	I217 Y219 F227 V251 W263 T267 Y268	I217-F223 HydrophobicContact CG2-CD2 4.21Å; I217-F223 WeakPolarHBondContact O-CA 3.49Å; I217-F223 WeakPolarHBondContact O-CB 3.49Å; I217-F223 PolarHBondContact O-N 3.38Å; Y219-F223 PolarHBondContact O-N 2.71Å; F223-F227 PolarHBondContact O-N 3.17Å; F223-F227 VanDerWaalsContact O-N 3.14Å; F223-V251 HydrophobicContact CB-CG1 4.23Å; F223-V251 HydrophobicContact CD1-CG2 4.13Å; F223-V251 HydrophobicContact CD2-CG2 3.81Å; F223-V251 HydrophobicContact CE1-CG2 4.26Å; F223-V251 HydrophobicContact CE2-CG2 3.96Å; F223-V251 HydrophobicContact CG-CG1 4.36Å; F223-V251 HydrophobicContact CG-CG2 3.89Å; F223-V251 HydrophobicContact CZ-CG2 4.17Å; F223-W263 HydrophobicContact CD1-CZ3 4.06Å; F223-W263 HydrophobicContact CE1-CZ3 4.24Å; F223-T267 HydrophobicContact CD1-CG2 3.76Å; F223-T267 HydrophobicContact CE1-CG2 3.7Å; F223-Y268 HydrophobicContact CE1-CE2 4.42Å; F223-Y268 HydrophobicContact CE2-CE1 4.49Å; F223-Y268 HydrophobicContact CE2-CE2 4.15Å; F223-Y268 AromaticContact CE2-CZ 3.8Å; F223-Y268 WeakPolarHBondContact CE2-OH 3.49Å; F223-Y268 HydrophobicContact CZ-CD2 4.02Å; F223-Y268 HydrophobicContact CZ-CE1 4.02Å; F223-Y268 AromaticContact CZ-CE2 3.46Å; F223-Y268 HydrophobicContact CZ-CE2 3.46Å; F223-Y268 VanDerWaalsContact CZ-CE2 3.46Å; F223-Y268 AromaticContact CZ-CZ 3.43Å; F223-Y268 VanDerWaalsContact CZ-CZ 3.43Å
224	K	98.6	Very high	98.2	Very high	80 Å²	80	20.9 Å²	20.9	35%	0.348	11%	0.114	S	C	.	.	H	α-helix	trans	-63.6	-48.5	177.9	-71.2	179.2	-179.3	-166.9	0	112	A220 V222 Y228 T267 V271	A220-K224 WeakPolarHBondContact O-CG 3.24Å; A220-K224 PolarHBondContact O-N 2.62Å; V222-K224 VanDerWaalsContact C-N 3.33Å; V222-K224 PolarHBondContact O-N 3.43Å; K224-Y228 PolarHBondContact O-N 2.89Å; K224-Y228 VanDerWaalsContact O-N 3.14Å; K224-T267 HydrophobicContact CD-CG2 4.25Å; K224-T267 HydrophobicContact CG-CG2 3.52Å; K224-V271 HydrophobicContact CB-CG2 4.33Å; K224-V271 HydrophobicContact CG-CG2 4.35Å
225	A	98.7	Very high	98.4	Very high	36 Å²	36	22.3 Å²	22.3	30%	0.298	12%	0.115	S	C	.	.	H	α-helix	trans	-66.6	-43.6	-178.7	0	0	0	0	0	111.9	W120 P221 V222 F227 Y228 Q229	W120-A225 HydrophobicContact CH2-CB 3.77Å; W120-A225 HydrophobicContact CZ2-CB 3.81Å; P221-A225 WeakPolarHBondContact O-CB 3.4Å; P221-A225 PolarHBondContact O-N 3.14Å; P221-A225 VanDerWaalsContact O-N 3.09Å; V222-A225 PolarHBondContact O-N 3.15Å; A225-F227 VanDerWaalsContact C-N 3.35Å; A225-F227 PolarHBondContact O-N 3.43Å; A225-Y228 PolarHBondContact O-N 3.07Å; A225-Q229 WeakPolarHBondContact O-CB 3.34Å; A225-Q229 WeakPolarHBondContact O-CG 3.28Å; A225-Q229 PolarHBondContact O-N 3.33Å
226	Y	98.8	Very high	98.6	Very high	4 Å²	4	27.2 Å²	27.2	2%	0.016	13%	0.134	C	C	.	.	H	α-helix	trans	-57.4	-47.7	177.8	-179.3	-90.3	0	0	0	111	D112 Y113 A114 I115 L116 W120 L121 I217 V222 Q229 G230	D112-Y226 WeakPolarHBondContact O-CE1 3.18Å; Y113-Y226 PolarHBondContact O-OH 3.35Å; Y113-Y226 VanDerWaalsContact O-OH 3.08Å; A114-Y226 PolarHBondContact N-OH 2.83Å; I115-Y226 HydrophobicContact CD1-CD1 4.42Å; I115-Y226 HydrophobicContact CD1-CE1 4.1Å; I115-Y226 HydrophobicContact CG1-CD1 4.28Å; I115-Y226 HydrophobicContact CG1-CE1 3.56Å; I115-Y226 PolarHBondContact N-OH 3.21Å; L116-Y226 HydrophobicContact CB-CD2 4.07Å; L116-Y226 HydrophobicContact CB-CE1 4.41Å; L116-Y226 HydrophobicContact CB-CE2 3.6Å; L116-Y226 HydrophobicContact CD2-CD2 3.53Å; L116-Y226 HydrophobicContact CD2-CE2 3.89Å; L116-Y226 HydrophobicContact CD2-CG 4.11Å; L116-Y226 HydrophobicContact CG-CD2 4.3Å; L116-Y226 HydrophobicContact CG-CE2 4.15Å; L116-Y226 PolarHBondContact N-OH 2.84Å; W120-Y226 HydrophobicContact CE3-CD2 4.22Å; W120-Y226 HydrophobicContact CZ3-CD2 4.13Å; L121-Y226 HydrophobicContact CD1-CE2 4.02Å; L121-Y226 HydrophobicContact CD2-CD2 3.69Å; L121-Y226 HydrophobicContact CD2-CE2 3.9Å; L121-Y226 HydrophobicContact CG-CD2 4.23Å; L121-Y226 HydrophobicContact CG-CE2 4Å; I217-Y226 HydrophobicContact CD1-CD1 4.33Å; I217-Y226 HydrophobicContact CD1-CD2 4.06Å; I217-Y226 HydrophobicContact CD1-CE1 3.94Å; I217-Y226 HydrophobicContact CD1-CE2 3.65Å; I217-Y226 HydrophobicContact CD1-CG 4.41Å; I217-Y226 HydrophobicContact CG1-CD1 4.43Å; I217-Y226 HydrophobicContact CG1-CD2 3.88Å; I217-Y226 HydrophobicContact CG1-CE2 3.99Å; I217-Y226 HydrophobicContact CG1-CG 4.14Å; I217-Y226 HydrophobicContact CG2-CD1 3.95Å; I217-Y226 HydrophobicContact CG2-CE1 4.42Å; I217-Y226 HydrophobicContact CG2-CG 4.13Å; V222-Y226 WeakPolarHBondContact O-CA 3.47Å; V222-Y226 WeakPolarHBondContact O-CB 3.33Å; V222-Y226 PolarHBondContact O-N 3.18Å; Y226-Q229 PolarHBondContact O-N 3.42Å; Y226-G230 PolarHBondContact O-N 3.31Å
227	F	98.8	Very high	98.7	Very high	3 Å²	3	27.7 Å²	27.7	1%	0.013	14%	0.137	C	C	.	.	H	α-helix	trans	-64.7	-45.7	178	-178.7	-126.1	0	0	0	112.4	I115 F223 A225 Q229 G230 L231 I244 Y268 V271 T272 A285	I115-F227 HydrophobicContact CD1-CD2 3.66Å; I115-F227 HydrophobicContact CD1-CE2 4.34Å; F223-F227 PolarHBondContact O-N 3.17Å; F223-F227 VanDerWaalsContact O-N 3.14Å; A225-F227 VanDerWaalsContact C-N 3.35Å; A225-F227 PolarHBondContact O-N 3.43Å; F227-Q229 VanDerWaalsContact C-N 3.35Å; F227-Q229 PolarHBondContact O-N 2.9Å; F227-G230 PolarHBondContact O-N 3.11Å; F227-L231 HydrophobicContact CD1-CD1 4.46Å; F227-L231 HydrophobicContact CD2-CG 4.35Å; F227-L231 HydrophobicContact CE1-CD1 3.89Å; F227-L231 HydrophobicContact CE1-CG 4.5Å; F227-L231 HydrophobicContact CE2-CD1 4.15Å; F227-L231 HydrophobicContact CE2-CD2 3.83Å; F227-L231 HydrophobicContact CE2-CG 3.91Å; F227-L231 HydrophobicContact CZ-CD1 3.74Å; F227-L231 HydrophobicContact CZ-CD2 4.01Å; F227-L231 HydrophobicContact CZ-CG 4.02Å; F227-L231 WeakPolarHBondContact O-CG 3.45Å; F227-L231 PolarHBondContact O-N 2.94Å; F227-I244 HydrophobicContact CD2-CD1 4.24Å; F227-I244 HydrophobicContact CE2-CD1 3.46Å; F227-I244 VanDerWaalsContact CE2-CD1 3.46Å; F227-I244 HydrophobicContact CZ-CD1 4.35Å; F227-Y268 HydrophobicContact CB-CD1 4.35Å; F227-Y268 HydrophobicContact CB-CE1 4.1Å; F227-Y268 AromaticContact CD1-CD1 3.46Å; F227-Y268 HydrophobicContact CD1-CD1 3.46Å; F227-Y268 VanDerWaalsContact CD1-CD1 3.46Å; F227-Y268 HydrophobicContact CD1-CE1 4.03Å; F227-Y268 AromaticContact CD2-CD1 3.73Å; F227-Y268 HydrophobicContact CD2-CD1 3.73Å; F227-Y268 AromaticContact CD2-CE1 3.59Å; F227-Y268 HydrophobicContact CD2-CE1 3.59Å; F227-Y268 AromaticContact CE1-CD1 3.55Å; F227-Y268 HydrophobicContact CE1-CD1 3.55Å; F227-Y268 HydrophobicContact CE1-CE1 4.4Å; F227-Y268 HydrophobicContact CE1-CG 4.43Å; F227-Y268 WeakPolarHBondContact CE1-O 3.45Å; F227-Y268 AromaticContact CE2-CD1 3.82Å; F227-Y268 HydrophobicContact CE2-CD1 3.82Å; F227-Y268 HydrophobicContact CE2-CE1 4Å; F227-Y268 AromaticContact CG-CD1 3.56Å; F227-Y268 HydrophobicContact CG-CD1 3.56Å; F227-Y268 AromaticContact CG-CE1 3.62Å; F227-Y268 HydrophobicContact CG-CE1 3.62Å; F227-Y268 AromaticContact CZ-CD1 3.72Å; F227-Y268 HydrophobicContact CZ-CD1 3.72Å; F227-Y268 HydrophobicContact CZ-CE1 4.37Å; F227-V271 HydrophobicContact CD1-CB 3.65Å; F227-V271 HydrophobicContact CD1-CG1 3.42Å; F227-V271 VanDerWaalsContact CD1-CG1 3.42Å; F227-V271 HydrophobicContact CD1-CG2 4.48Å; F227-V271 HydrophobicContact CE1-CB 4.05Å; F227-V271 HydrophobicContact CE1-CG1 3.97Å; F227-V271 HydrophobicContact CG-CG1 4.32Å; F227-T272 WeakPolarHBondContact CE1-OG1 3.29Å; F227-T272 WeakPolarHBondContact CZ-OG1 3.19Å; F227-A285 HydrophobicContact CZ-CB 4.34Å
228	Y	98.9	Very high	98.7	Very high	53 Å²	53	29.4 Å²	29.4	21%	0.208	15%	0.146	C	C	.	.	H	α-helix	trans	-59.8	-44.7	176.8	-173.3	-79.2	0	0	0	112.1	K224 A225 L231 L232 V271 Q274 F275 D278	K224-Y228 PolarHBondContact O-N 2.89Å; K224-Y228 VanDerWaalsContact O-N 3.14Å; A225-Y228 PolarHBondContact O-N 3.07Å; Y228-L231 PolarHBondContact O-N 3.19Å; Y228-L232 PolarHBondContact O-N 2.76Å; Y228-V271 HydrophobicContact CD2-CG1 4.15Å; Y228-V271 HydrophobicContact CG-CG1 4.49Å; Y228-Q274 HydrophobicContact CE2-CG 4.46Å; Y228-F275 HydrophobicContact CD1-CD2 4.32Å; Y228-F275 HydrophobicContact CD2-CB 4.32Å; Y228-F275 AromaticContact CD2-CD2 3.89Å; Y228-F275 HydrophobicContact CD2-CD2 3.89Å; Y228-F275 HydrophobicContact CE1-CD2 4.09Å; Y228-F275 HydrophobicContact CE1-CE2 4.26Å; Y228-F275 HydrophobicContact CE2-CB 4.15Å; Y228-F275 AromaticContact CE2-CD2 3.65Å; Y228-F275 HydrophobicContact CE2-CD2 3.65Å; Y228-F275 HydrophobicContact CE2-CG 4.37Å; Y228-F275 HydrophobicContact CG-CD2 4.22Å; Y228-F275 AromaticContact CZ-CD2 3.74Å; Y228-D278 PolarHBondContact OH-OD2 3.08Å
229	Q	98.8	Very high	98.7	Very high	62 Å²	62	29.1 Å²	29.1	29%	0.29	14%	0.144	S	C	.	.	H	α-helix	trans	-67.7	-38	179.5	-68.2	-65	-38	0	0	111.6	L116 W120 A225 Y226 F227 L231 L232 E233	L116-Q229 HydrophobicContact CD1-CB 3.78Å; L116-Q229 HydrophobicContact CD2-CB 3.59Å; L116-Q229 HydrophobicContact CG-CB 4.33Å; W120-Q229 HydrophobicContact CZ2-CG 4.38Å; A225-Q229 WeakPolarHBondContact O-CB 3.34Å; A225-Q229 WeakPolarHBondContact O-CG 3.28Å; A225-Q229 PolarHBondContact O-N 3.33Å; Y226-Q229 PolarHBondContact O-N 3.42Å; F227-Q229 VanDerWaalsContact C-N 3.35Å; F227-Q229 PolarHBondContact O-N 2.9Å; Q229-L231 PolarHBondContact O-N 2.87Å; Q229-L232 WeakPolarHBondContact O-CB 3.31Å; Q229-L232 PolarHBondContact O-N 2.9Å; Q229-L232 VanDerWaalsContact O-N 3.13Å; Q229-E233 WeakPolarHBondContact O-CG 3.44Å; Q229-E233 PolarHBondContact O-N 2.78Å
230	G	98.7	Very high	98.7	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-61.4	-41.4	172.7	0	0	0	0	0	112.8	I115 Y226 F227 L232 E233 L234	I115-G230 WeakPolarHBondContact O-CA 3.41Å; Y226-G230 PolarHBondContact O-N 3.31Å; F227-G230 PolarHBondContact O-N 3.11Å; G230-L232 VanDerWaalsContact C-N 3.3Å; G230-L232 PolarHBondContact O-N 3.21Å; G230-E233 PolarHBondContact O-N 3.1Å; G230-L234 WeakPolarHBondContact O-CG 3.41Å; G230-L234 PolarHBondContact O-N 3.43Å; G230-L234 VanDerWaalsContact O-N 3.12Å
231	L	98.9	Very high	98.7	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-61.9	-39.4	172.2	-65.4	-178.8	0	0	0	111.9	F227 Y228 Q229 L234 Y235 V242 F275 F282 A285	F227-L231 HydrophobicContact CD1-CD1 4.46Å; F227-L231 HydrophobicContact CD2-CG 4.35Å; F227-L231 HydrophobicContact CE1-CD1 3.89Å; F227-L231 HydrophobicContact CE1-CG 4.5Å; F227-L231 HydrophobicContact CE2-CD1 4.15Å; F227-L231 HydrophobicContact CE2-CD2 3.83Å; F227-L231 HydrophobicContact CE2-CG 3.91Å; F227-L231 HydrophobicContact CZ-CD1 3.74Å; F227-L231 HydrophobicContact CZ-CD2 4.01Å; F227-L231 HydrophobicContact CZ-CG 4.02Å; F227-L231 WeakPolarHBondContact O-CG 3.45Å; F227-L231 PolarHBondContact O-N 2.94Å; Y228-L231 PolarHBondContact O-N 3.19Å; Q229-L231 PolarHBondContact O-N 2.87Å; L231-L234 PolarHBondContact O-N 3.35Å; L231-Y235 VanDerWaalsContact O-CB 3.28Å; L231-Y235 WeakPolarHBondContact O-CB 3.43Å; L231-Y235 PolarHBondContact O-N 3.49Å; L231-V242 HydrophobicContact CD2-CG1 3.57Å; L231-F275 HydrophobicContact CB-CD1 4.15Å; L231-F275 HydrophobicContact CB-CD2 3.75Å; L231-F275 HydrophobicContact CB-CE1 4.11Å; L231-F275 HydrophobicContact CB-CE2 3.71Å; L231-F275 HydrophobicContact CB-CG 3.98Å; L231-F275 HydrophobicContact CB-CZ 3.9Å; L231-F275 HydrophobicContact CD1-CB 3.85Å; L231-F275 HydrophobicContact CD1-CD1 4.25Å; L231-F275 HydrophobicContact CD1-CD2 4.21Å; L231-F275 HydrophobicContact CD1-CG 3.83Å; L231-F282 HydrophobicContact CD2-CE1 4.28Å; L231-F282 HydrophobicContact CD2-CZ 3.95Å; L231-A285 HydrophobicContact CD2-CB 4.47Å
232	L	98.8	Very high	98.8	Very high	38 Å²	38	25.6 Å²	25.6	20%	0.199	12%	0.123	C	C	.	.	H	α-helix	trans	-62.6	-44.9	176.1	-174.9	61	0	0	0	111.5	Y228 Q229 G230 L234 Y235 E236 F275	Y228-L232 PolarHBondContact O-N 2.76Å; Q229-L232 WeakPolarHBondContact O-CB 3.31Å; Q229-L232 PolarHBondContact O-N 2.9Å; Q229-L232 VanDerWaalsContact O-N 3.13Å; G230-L232 VanDerWaalsContact C-N 3.3Å; G230-L232 PolarHBondContact O-N 3.21Å; L232-L234 VanDerWaalsContact C-N 3.33Å; L232-L234 PolarHBondContact O-N 3.21Å; L232-Y235 HydrophobicContact CD1-CD1 4.41Å; L232-Y235 PolarHBondContact O-N 2.86Å; L232-E236 WeakPolarHBondContact O-CB 3.37Å; L232-E236 VanDerWaalsContact O-CG 3.32Å; L232-E236 WeakPolarHBondContact O-CG 3.43Å; L232-E236 PolarHBondContact O-N 2.9Å; L232-F275 HydrophobicContact CB-CE2 3.98Å; L232-F275 HydrophobicContact CB-CZ 4.45Å; L232-F275 HydrophobicContact CD1-CE2 4.41Å
233	E	98.8	Very high	98.8	Very high	24 Å²	24	25.6 Å²	25.6	11%	0.112	12%	0.123	C	C	.	.	H	α-helix	trans	-61.6	-40	177.8	-70	-147.7	138.1	0	0	113	L116 S117 Q229 G230 D237 K448	L116-E233 HydrophobicContact CD1-CG 3.66Å; S117-E233 WeakPolarHBondContact CB-OE2 3.08Å; S117-E233 PolarHBondContact N-OE2 2.95Å; S117-E233 VanDerWaalsContact OG-CD 3.29Å; S117-E233 PolarHBondContact OG-OE1 2.8Å; S117-E233 PolarHBondContact OG-OE2 2.92Å; Q229-E233 WeakPolarHBondContact O-CG 3.44Å; Q229-E233 PolarHBondContact O-N 2.78Å; G230-E233 PolarHBondContact O-N 3.1Å; E233-D237 PolarHBondContact O-N 2.92Å; E233-K448 VanDerWaalsContact CD-CE 3.46Å; E233-K448 HydrophobicContact CG-CD 4.48Å; E233-K448 WeakPolarHBondContact OE1-CE 3.28Å; E233-K448 IonicContact OE1-NZ 2.7Å; E233-K448 PolarHBondContact OE1-NZ 3Å
234	L	98.8	Very high	98.8	Very high	4 Å²	4	25.4 Å²	25.4	2%	0.021	12%	0.122	C	C	.	.	H	α-helix	trans	-67.1	-42.2	173.8	-68.8	169.9	0	0	0	111.5	V107 L110 G230 L231 L232 D237 N238 I239 V242	V107-L234 HydrophobicContact CG2-CD2 4.13Å; L110-L234 HydrophobicContact CD2-CD1 3.84Å; G230-L234 WeakPolarHBondContact O-CG 3.41Å; G230-L234 PolarHBondContact O-N 3.43Å; G230-L234 VanDerWaalsContact O-N 3.12Å; L231-L234 PolarHBondContact O-N 3.35Å; L232-L234 VanDerWaalsContact C-N 3.33Å; L232-L234 PolarHBondContact O-N 3.21Å; L234-D237 CarbonylContact O-C 3.45Å; L234-D237 WeakPolarHBondContact O-CA 3.38Å; L234-D237 PolarHBondContact O-N 2.99Å; L234-D237 VanDerWaalsContact O-N 3.11Å; L234-N238 PolarHBondContact O-N 3.43Å; L234-I239 HydrophobicContact CB-CB 4.16Å; L234-I239 HydrophobicContact CB-CG2 4.47Å; L234-I239 VanDerWaalsContact O-CB 3.25Å; L234-I239 WeakPolarHBondContact O-CB 3.46Å; L234-I239 WeakPolarHBondContact O-CG1 3.12Å; L234-I239 PolarHBondContact O-N 3.38Å; L234-V242 HydrophobicContact CD1-CB 4.23Å; L234-V242 HydrophobicContact CD1-CG1 4.5Å; L234-V242 HydrophobicContact CD1-CG2 3.91Å
235	Y	98.9	Very high	98.8	Very high	61 Å²	61	21.6 Å²	21.6	24%	0.239	11%	0.105	C	C	.	.	H	α-helix	trans	-63.3	-41.1	177.6	176.7	-99.9	0	0	0	112.3	L231 L232 D237 N238 F275 H279 D281 F282	L231-Y235 VanDerWaalsContact O-CB 3.28Å; L231-Y235 WeakPolarHBondContact O-CB 3.43Å; L231-Y235 PolarHBondContact O-N 3.49Å; L232-Y235 HydrophobicContact CD1-CD1 4.41Å; L232-Y235 PolarHBondContact O-N 2.86Å; Y235-D237 PolarHBondContact O-N 2.96Å; Y235-N238 WeakPolarHBondContact O-CA 3.41Å; Y235-N238 PolarHBondContact O-N 3.27Å; Y235-F275 HydrophobicContact CG-CE1 4.39Å; Y235-F275 HydrophobicContact CG-CZ 4.18Å; Y235-H279 AromaticContact CD1-CD2 3.89Å; Y235-H279 HydrophobicContact CD2-CB 4.49Å; Y235-H279 AromaticContact CE1-CD2 3.5Å; Y235-H279 VanDerWaalsContact CE1-CD2 3.5Å; Y235-H279 WeakPolarHBondContact CE1-CD2 3.49Å; Y235-H279 HydrophobicContact CE2-CB 4.09Å; Y235-H279 AromaticContact CZ-CD2 3.82Å; Y235-D281 WeakPolarHBondContact CE2-OD1 3.39Å; Y235-D281 PolarHBondContact OH-OD1 3.21Å; Y235-D281 VanDerWaalsContact OH-OD1 3.13Å; Y235-D281 PolarHBondContact OH-OD2 3.31Å; Y235-F282 HydrophobicContact CD2-CB 4.36Å; Y235-F282 HydrophobicContact CD2-CD2 4.04Å
236	E	98.6	Very high	98.8	Very high	117 Å²	117	19.9 Å²	19.9	55%	0.547	9%	0.091	S	C	.	.	H	α-helix	trans	-60.9	-30.3	172.2	-74.5	176.3	166.7	0	0	112.4	L232 N238 K448	L232-E236 WeakPolarHBondContact O-CB 3.37Å; L232-E236 VanDerWaalsContact O-CG 3.32Å; L232-E236 WeakPolarHBondContact O-CG 3.43Å; L232-E236 PolarHBondContact O-N 2.9Å; E236-N238 PolarHBondContact O-N 3Å; E236-K448 IonicContact OE2-NZ 2.98Å; E236-K448 PolarHBondContact OE2-NZ 2.78Å
237	D	98.8	Very high	98.7	Very high	10 Å²	10	23.1 Å²	23.1	5%	0.053	11%	0.108	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.4	18.9	171.5	-158.2	42.4	0	0	0	112.7	K104 E233 L234 Y235 I239 G449 V450 S451	K104-D237 WeakPolarHBondContact CE-O 3.5Å; K104-D237 WeakPolarHBondContact CE-OD2 3.41Å; K104-D237 PolarHBondContact NZ-O 3.37Å; K104-D237 IonicContact NZ-OD1 2.7Å; E233-D237 PolarHBondContact O-N 2.92Å; L234-D237 CarbonylContact O-C 3.45Å; L234-D237 WeakPolarHBondContact O-CA 3.38Å; L234-D237 PolarHBondContact O-N 2.99Å; L234-D237 VanDerWaalsContact O-N 3.11Å; Y235-D237 PolarHBondContact O-N 2.96Å; D237-I239 VanDerWaalsContact C-N 3.34Å; D237-I239 PolarHBondContact O-N 2.94Å; D237-G449 WeakPolarHBondContact OD2-CA 3.4Å; D237-V450 PolarHBondContact OD2-N 3.47Å; D237-S451 WeakPolarHBondContact OD1-CB 3.32Å; D237-S451 PolarHBondContact OD1-OG 2.91Å; D237-S451 PolarHBondContact OD2-N 2.95Å; D237-S451 PolarHBondContact OD2-OG 3.08Å
238	N	98.7	Very high	98.6	Very high	35 Å²	35	23.1 Å²	23.1	19%	0.187	11%	0.109	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.9	38.5	176.8	-153.6	1.3	0	0	0	114.5	R101 P103 K104 L234 Y235 E236	R101-N238 PolarHBondContact O-ND2 2.99Å; P103-N238 WeakPolarHBondContact CA-ND2 3.47Å; K104-N238 PolarHBondContact N-O 2.73Å; L234-N238 PolarHBondContact O-N 3.43Å; Y235-N238 WeakPolarHBondContact O-CA 3.41Å; Y235-N238 PolarHBondContact O-N 3.27Å; E236-N238 PolarHBondContact O-N 3Å
239	I	98.8	Very high	98.4	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	138.4	168	-58.6	-61.3	0	0	0	110	K104 V107 L234 D237 Y241 V450	K104-I239 HydrophobicContact CB-CD1 3.56Å; V107-I239 HydrophobicContact CG2-CD1 3.96Å; V107-I239 HydrophobicContact CG2-CG1 3.98Å; V107-I239 HydrophobicContact CG2-CG2 4.12Å; L234-I239 HydrophobicContact CB-CB 4.16Å; L234-I239 HydrophobicContact CB-CG2 4.47Å; L234-I239 VanDerWaalsContact O-CB 3.25Å; L234-I239 WeakPolarHBondContact O-CB 3.46Å; L234-I239 WeakPolarHBondContact O-CG1 3.12Å; L234-I239 PolarHBondContact O-N 3.38Å; D237-I239 VanDerWaalsContact C-N 3.34Å; D237-I239 PolarHBondContact O-N 2.94Å; I239-Y241 WeakPolarHBondContact CG2-O 3.19Å; I239-V450 HydrophobicContact CD1-CG1 3.61Å; I239-V450 HydrophobicContact CG1-CG1 4.13Å
240	Q	98.6	Very high	98.3	Very high	2 Å²	2	21.3 Å²	21.3	1%	0.009	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	-5.2	-178	57.4	167.2	26.9	0	0	113.5	G105 V283 A492	G105-Q240 WeakPolarHBondContact O-CG 3.37Å; G105-Q240 PolarHBondContact O-N 3.28Å; Q240-V283 HydrophobicContact CB-CG2 4.36Å; Q240-V283 WeakPolarHBondContact O-CB 3.31Å; Q240-V283 PolarHBondContact O-N 2.89Å; Q240-A492 PolarHBondContact NE2-O 3.13Å
241	Y	98.9	Very high	98.2	Very high	4 Å²	4	21.3 Å²	21.3	2%	0.016	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.9	149	178.2	175.5	-100.1	0	0	0	111.4	A106 V107 L108 I239 E243 G284 K286 M484	A106-Y241 CarbonylContact C-O 3.36Å; A106-Y241 VanDerWaalsContact CA-O 3.23Å; A106-Y241 WeakPolarHBondContact CA-O 3.31Å; A106-Y241 HydrophobicContact CB-CD1 3.69Å; A106-Y241 HydrophobicContact CB-CG 4.39Å; V107-Y241 PolarHBondContact N-O 2.92Å; L108-Y241 HydrophobicContact CD2-CD1 4.25Å; L108-Y241 HydrophobicContact CD2-CE1 4.01Å; I239-Y241 WeakPolarHBondContact CG2-O 3.19Å; Y241-E243 HydrophobicContact CE1-CG 3.53Å; Y241-E243 WeakPolarHBondContact CE1-OE1 3.35Å; Y241-E243 VanDerWaalsContact OH-CG 3.31Å; Y241-E243 WeakPolarHBondContact OH-CG 3.31Å; Y241-E243 PolarHBondContact OH-OE1 2.6Å; Y241-G284 WeakPolarHBondContact CA-O 3.39Å; Y241-G284 WeakPolarHBondContact CD2-O 3.23Å; Y241-K286 HydrophobicContact CE2-CG 4.27Å; Y241-K286 VanDerWaalsContact OH-CD 3.31Å; Y241-K286 WeakPolarHBondContact OH-CD 3.34Å; Y241-K286 VanDerWaalsContact OH-CG 3.28Å; Y241-K286 WeakPolarHBondContact OH-CG 3.16Å; Y241-M484 HydrophobicContact CD1-CE 3.85Å; Y241-M484 HydrophobicContact CD1-CG 4.23Å; Y241-M484 HydrophobicContact CD1-SD 4.17Å; Y241-M484 HydrophobicContact CD2-CE 4.49Å; Y241-M484 HydrophobicContact CD2-CG 3.94Å; Y241-M484 HydrophobicContact CD2-SD 3.78Å; Y241-M484 HydrophobicContact CE1-CE 4.2Å; Y241-M484 HydrophobicContact CE1-CG 3.8Å; Y241-M484 HydrophobicContact CE1-SD 4.34Å; Y241-M484 HydrophobicContact CE2-CG 3.48Å; Y241-M484 VanDerWaalsContact CE2-CG 3.48Å; Y241-M484 HydrophobicContact CE2-SD 3.99Å; Y241-M484 HydrophobicContact CG-CE 4.01Å; Y241-M484 HydrophobicContact CG-CG 4.3Å; Y241-M484 HydrophobicContact CG-SD 3.89Å
242	V	98.9	Very high	98.2	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	143.1	-180	66.3	0	0	0	0	113.9	V107 L110 L231 L234 I244 F282 G284 A285 K286	V107-V242 HydrophobicContact CB-CG2 4.1Å; V107-V242 HydrophobicContact CG1-CG2 4.21Å; V107-V242 CarbonylContact O-C 3.53Å; V107-V242 VanDerWaalsContact O-CA 3.29Å; V107-V242 WeakPolarHBondContact O-CA 3.11Å; L110-V242 HydrophobicContact CD2-CG2 3.65Å; L231-V242 HydrophobicContact CD2-CG1 3.57Å; L234-V242 HydrophobicContact CD1-CB 4.23Å; L234-V242 HydrophobicContact CD1-CG1 4.5Å; L234-V242 HydrophobicContact CD1-CG2 3.91Å; V242-I244 HydrophobicContact CG1-CD1 4.13Å; V242-I244 HydrophobicContact CG1-CG1 4.28Å; V242-I244 HydrophobicContact CG2-CD1 4.24Å; V242-I244 HydrophobicContact CG2-CG1 3.72Å; V242-F282 HydrophobicContact CG1-CZ 4.24Å; V242-G284 PolarHBondContact N-O 3.07Å; V242-A285 HydrophobicContact CG1-CB 3.54Å; V242-A285 CarbonylContact O-C 3.59Å; V242-A285 WeakPolarHBondContact O-CA 3.15Å; V242-K286 PolarHBondContact O-N 3.01Å
243	E	98.9	Very high	98.1	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	124.6	167.7	-65.4	-178.7	-166.4	0	0	110.8	V107 L108 Y241 K286 I288 R380 S482 A483	V107-E243 PolarHBondContact O-N 2.86Å; L108-E243 HydrophobicContact CD2-CB 4.47Å; L108-E243 HydrophobicContact CD2-CG 4.08Å; Y241-E243 HydrophobicContact CE1-CG 3.53Å; Y241-E243 WeakPolarHBondContact CE1-OE1 3.35Å; Y241-E243 VanDerWaalsContact OH-CG 3.31Å; Y241-E243 WeakPolarHBondContact OH-CG 3.31Å; Y241-E243 PolarHBondContact OH-OE1 2.6Å; E243-K286 WeakPolarHBondContact CA-O 3.43Å; E243-K286 HydrophobicContact CG-CB 4.34Å; E243-I288 HydrophobicContact CB-CD1 4.22Å; E243-R380 IonicContact OE1-NH1 3.08Å; E243-R380 IonicContact OE2-CZ 2.69Å; E243-R380 IonicContact OE2-NH1 3.32Å; E243-R380 PolarHBondContact OE2-NH1 3.14Å; E243-R380 IonicContact OE2-NH2 3.75Å; E243-R380 PolarHBondContact OE2-NH2 2.99Å; E243-S482 WeakPolarHBondContact OE1-CA 3.35Å; E243-S482 WeakPolarHBondContact OE1-CB 3.41Å; E243-A483 WeakPolarHBondContact OE1-CA 3.49Å; E243-A483 WeakPolarHBondContact OE1-CB 3.33Å; E243-A483 PolarHBondContact OE1-N 3.49Å
244	I	98.9	Very high	98	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	125.4	-168.6	-55.3	176	0	0	0	110.1	L110 D112 I115 F227 V242 A246 K286 I287 I288	L110-I244 HydrophobicContact CD2-CG1 4.32Å; L110-I244 CarbonylContact O-C 3.55Å; L110-I244 WeakPolarHBondContact O-CA 3.37Å; D112-I244 HydrophobicContact CB-CG2 3.91Å; I115-I244 HydrophobicContact CD1-CD1 4.43Å; F227-I244 HydrophobicContact CD2-CD1 4.24Å; F227-I244 HydrophobicContact CE2-CD1 3.46Å; F227-I244 VanDerWaalsContact CE2-CD1 3.46Å; F227-I244 HydrophobicContact CZ-CD1 4.35Å; V242-I244 HydrophobicContact CG1-CD1 4.13Å; V242-I244 HydrophobicContact CG1-CG1 4.28Å; V242-I244 HydrophobicContact CG2-CD1 4.24Å; V242-I244 HydrophobicContact CG2-CG1 3.72Å; I244-A246 PolarHBondContact O-N 2.99Å; I244-K286 PolarHBondContact N-O 3.06Å; I244-I287 HydrophobicContact CB-CD1 4.09Å; I244-I287 CarbonylContact O-C 3.23Å; I244-I287 WeakPolarHBondContact O-CA 2.87Å; I244-I288 PolarHBondContact O-N 2.91Å
245	R	98.9	Very high	97.8	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	117.9	166.5	-84.9	75.1	176.8	172.2	-9.1	108.4	L108 L110 H111 D112 I288 T290 D322 V324 E405	L108-R245 PolarHBondContact O-NH1 2.96Å; L110-R245 PolarHBondContact O-N 3.46Å; H111-R245 WeakPolarHBondContact CA-O 3.32Å; D112-R245 PolarHBondContact N-O 3.11Å; R245-I288 CarbonylContact C-O 3.44Å; R245-I288 WeakPolarHBondContact CA-O 3.45Å; R245-I288 HydrophobicContact CG-CB 4.49Å; R245-I288 HydrophobicContact CG-CG2 4.43Å; R245-T290 HydrophobicContact CB-CG2 3.54Å; R245-T290 HydrophobicContact CG-CG2 3.58Å; R245-D322 HydrophobicContact CG-CB 4.46Å; R245-D322 WeakPolarHBondContact CG-OD2 3.49Å; R245-D322 IonicContact NE-OD2 2.89Å; R245-D322 PolarHBondContact NE-OD2 3.41Å; R245-V324 HydrophobicContact CG-CG1 4.42Å; R245-E405 IonicContact CZ-OE1 2.75Å; R245-E405 IonicContact CZ-OE2 3.56Å; R245-E405 IonicContact NH1-OE1 2.66Å; R245-E405 IonicContact NH2-OE1 3.74Å; R245-E405 PolarHBondContact NH2-OE1 2.97Å; R245-E405 IonicContact NH2-OE2 2.62Å; R245-E405 PolarHBondContact NH2-OE2 2.62Å
246	A	98.6	Very high	97.4	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	125.8	-178.2	0	0	0	0	0	112.3	D112 I244 L248 Y268 I287 I288 F289 T290	D112-A246 HydrophobicContact CB-CB 3.85Å; D112-A246 WeakPolarHBondContact OD2-CA 3.15Å; D112-A246 WeakPolarHBondContact OD2-CB 3.42Å; I244-A246 PolarHBondContact O-N 2.99Å; A246-L248 HydrophobicContact CB-CD2 3.73Å; A246-L248 HydrophobicContact CB-CG 4.09Å; A246-L248 PolarHBondContact O-N 3.13Å; A246-Y268 HydrophobicContact CB-CE2 4.41Å; A246-I287 HydrophobicContact CB-CG2 3.69Å; A246-I288 PolarHBondContact N-O 2.8Å; A246-F289 WeakPolarHBondContact O-CD2 3.41Å; A246-T290 PolarHBondContact O-N 2.66Å; A246-T290 PolarHBondContact O-OG1 3.03Å
247	L	96.3	Very high	97.3	Very high	73 Å²	73	25.2 Å²	25.2	38%	0.382	15%	0.15	S	C	.	.			trans	-72.1	-22.7	173.4	-83.8	156.8	0	0	0	111.7	D112 T290 V324	D112-L247 PolarHBondContact OD2-N 3.47Å; D112-L247 VanDerWaalsContact OD2-N 3.11Å; L247-T290 PolarHBondContact N-OG1 3Å; L247-V324 HydrophobicContact CD2-CG2 4.44Å
248	L	96.6	Very high	97.2	Very high	3 Å²	3	32.4 Å²	32.4	2%	0.016	18%	0.177	C	C	.	.			trans	49.6	55.2	-176.1	-53.8	177.6	0	0	0	112.2	A246 K261 M265 Y268 F289 L310	A246-L248 HydrophobicContact CB-CD2 3.73Å; A246-L248 HydrophobicContact CB-CG 4.09Å; A246-L248 PolarHBondContact O-N 3.13Å; L248-K261 HydrophobicContact CB-CB 4.34Å; L248-K261 HydrophobicContact CB-CD 4.45Å; L248-K261 HydrophobicContact CB-CG 3.83Å; L248-K261 HydrophobicContact CD1-CB 4.28Å; L248-K261 HydrophobicContact CD1-CG 4.48Å; L248-K261 WeakPolarHBondContact O-CG 3.25Å; L248-K261 PolarHBondContact O-NZ 3.09Å; L248-M265 HydrophobicContact CD1-CG 3.8Å; L248-M265 HydrophobicContact CD1-SD 3.78Å; L248-M265 HydrophobicContact CD2-SD 4.26Å; L248-Y268 HydrophobicContact CD2-CD2 4.06Å; L248-Y268 HydrophobicContact CD2-CE2 3.64Å; L248-F289 HydrophobicContact CB-CD2 4.44Å; L248-F289 HydrophobicContact CB-CE2 4.43Å; L248-F289 HydrophobicContact CD1-CD2 3.67Å; L248-F289 HydrophobicContact CD1-CE2 4.28Å; L248-F289 HydrophobicContact CD1-CG 4.35Å; L248-F289 HydrophobicContact CG-CD2 4.01Å; L248-F289 HydrophobicContact CG-CE2 4.48Å; L248-L310 HydrophobicContact CD1-CD1 3.96Å
249	P	94.8	Very high	97.2	Very high	39 Å²	39	32.7 Å²	32.7	25%	0.253	18%	0.177	S	C	.	.			trans	-64.2	166	171.7	33.7	-37.7	0	0	0	109.9	Y113 V251	Y113-P249 HydrophobicContact CE2-CG 3.87Å; Y113-P249 WeakPolarHBondContact OH-CD 3.36Å; Y113-P249 WeakPolarHBondContact OH-CG 3.27Å; P249-V251 PolarHBondContact O-N 3.05Å; P249-V251 VanDerWaalsContact O-N 3.08Å
250	A	96.3	Very high	97.1	Very high	37 Å²	37	37.7 Å²	37.7	31%	0.306	20%	0.204	S	C	.	.			trans	-67.7	111.3	-177.5	0	0	0	0	0	110.8	R258	A250-R258 HydrophobicContact CB-CB 4.34Å
251	V	98.1	Very high	97.1	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	22%	0.218	C	C	.	.			trans	-68.6	142.5	168.8	178.5	0	0	0	0	108.7	C218 A220 F223 P249 R258 H259 W263	C218-V251 CarbonylContact O-C 3.56Å; C218-V251 VanDerWaalsContact O-CA 3.3Å; C218-V251 WeakPolarHBondContact O-CA 3.47Å; C218-V251 VanDerWaalsContact O-CG1 3.3Å; C218-V251 WeakPolarHBondContact O-CG1 3.37Å; A220-V251 HydrophobicContact CB-CG1 3.7Å; F223-V251 HydrophobicContact CB-CG1 4.23Å; F223-V251 HydrophobicContact CD1-CG2 4.13Å; F223-V251 HydrophobicContact CD2-CG2 3.81Å; F223-V251 HydrophobicContact CE1-CG2 4.26Å; F223-V251 HydrophobicContact CE2-CG2 3.96Å; F223-V251 HydrophobicContact CG-CG1 4.36Å; F223-V251 HydrophobicContact CG-CG2 3.89Å; F223-V251 HydrophobicContact CZ-CG2 4.17Å; P249-V251 PolarHBondContact O-N 3.05Å; P249-V251 VanDerWaalsContact O-N 3.08Å; V251-R258 WeakPolarHBondContact O-CA 3.31Å; V251-H259 HydrophobicContact CB-CB 4.48Å; V251-H259 PolarHBondContact O-N 3.32Å; V251-W263 HydrophobicContact CB-CE3 4.09Å; V251-W263 HydrophobicContact CB-CH2 4.46Å; V251-W263 HydrophobicContact CB-CZ3 3.69Å; V251-W263 HydrophobicContact CG1-CE3 4.31Å; V251-W263 HydrophobicContact CG1-CH2 3.8Å; V251-W263 HydrophobicContact CG1-CZ3 3.49Å; V251-W263 VanDerWaalsContact CG1-CZ3 3.49Å; V251-W263 HydrophobicContact CG2-CE3 4.38Å; V251-W263 HydrophobicContact CG2-CZ3 3.93Å
252	Y	97.3	Very high	97.1	Very high	3 Å²	3	41.8 Å²	41.8	1%	0.012	22%	0.224	C	C	.	.	B	Isolated β-bridge	trans	-130.2	157.1	-172.7	70.2	-91.2	0	0	0	113.3	R144 F145 G215 C218 Y219 A220 T257	R144-Y252 VanDerWaalsContact NH1-CE1 3.31Å; F145-Y252 HydrophobicContact CB-CE2 4.07Å; F145-Y252 PolarHBondContact N-OH 3.18Å; F145-Y252 WeakPolarHBondContact O-CE2 3.33Å; G215-Y252 PolarHBondContact O-OH 3.25Å; C218-Y252 VanDerWaalsContact C-CE1 3.43Å; C218-Y252 HydrophobicContact CB-CD1 3.68Å; C218-Y252 HydrophobicContact CB-CE1 3.59Å; C218-Y252 WeakPolarHBondContact O-CD1 3.41Å; C218-Y252 WeakPolarHBondContact O-CE1 3.44Å; C218-Y252 PolarHBondContact O-N 3.5Å; Y219-Y252 HydrophobicContact CD2-CE2 4.33Å; A220-Y252 PolarHBondContact N-O 3.01Å; Y252-T257 CarbonylContact C-O 3.56Å; Y252-T257 WeakPolarHBondContact CA-O 3.35Å; Y252-T257 WeakPolarHBondContact CB-O 3.29Å
253	E	97.4	Very high	97	Very high	58 Å²	58	44.8 Å²	44.8	27%	0.271	24%	0.236	S	C	.	.			trans	-102.1	167.4	176	-59.9	-63	169.7	0	0	111.8	A220 D255 G256 T257 H259	A220-E253 WeakPolarHBondContact CB-OE1 3.4Å; E253-D255 PolarHBondContact O-N 3.49Å; E253-G256 PolarHBondContact O-N 3.3Å; E253-T257 PolarHBondContact N-O 3.32Å; E253-H259 IonicContact OE1-CD2 3.21Å; E253-H259 IonicContact OE1-CE1 2.81Å; E253-H259 IonicContact OE1-NE2 3.25Å; E253-H259 PolarHBondContact OE1-NE2 3.09Å
254	L	96.3	Very high	97	Very high	43 Å²	43	44.8 Å²	44.8	23%	0.225	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.4	-31.5	179.4	-75.3	178.5	0	0	0	113.9	N130 F145 S146 K147 Y219 G256	N130-L254 HydrophobicContact CB-CD2 4.16Å; F145-L254 HydrophobicContact CB-CD2 3.91Å; S146-L254 WeakPolarHBondContact CA-O 3.4Å; K147-L254 HydrophobicContact CB-CB 4.27Å; K147-L254 PolarHBondContact N-O 3.45Å; Y219-L254 HydrophobicContact CE2-CD2 3.81Å; Y219-L254 HydrophobicContact CE2-CG 3.69Å; Y219-L254 WeakPolarHBondContact OH-CG 3.35Å; L254-G256 PolarHBondContact O-N 2.81Å
255	D	94.3	Very high	97	Very high	116 Å²	116	44.8 Å²	44.8	62%	0.62	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.1	-1.2	179.4	68	3.6	0	0	0	113.5	E253 T257	E253-D255 PolarHBondContact O-N 3.49Å; D255-T257 WeakPolarHBondContact OD1-CB 3.34Å; D255-T257 PolarHBondContact OD1-N 3.21Å; D255-T257 PolarHBondContact OD1-OG1 3.15Å; D255-T257 PolarHBondContact OD2-OG1 3.23Å
256	G	92.6	Very high	97	Very high	37 Å²	37	46.6 Å²	46.6	38%	0.381	25%	0.251	S	S	.	.			trans	91	-2.3	-178.8	0	0	0	0	0	115	E253 L254	E253-G256 PolarHBondContact O-N 3.3Å; L254-G256 PolarHBondContact O-N 2.81Å
257	T	95.2	Very high	97	Very high	69 Å²	69	46.8 Å²	46.8	42%	0.423	25%	0.252	S	S	.	.			trans	-54.7	138.8	171.7	-60.6	0	0	0	0	110.1	Y252 E253 D255	Y252-T257 CarbonylContact C-O 3.56Å; Y252-T257 WeakPolarHBondContact CA-O 3.35Å; Y252-T257 WeakPolarHBondContact CB-O 3.29Å; E253-T257 PolarHBondContact N-O 3.32Å; D255-T257 WeakPolarHBondContact OD1-CB 3.34Å; D255-T257 PolarHBondContact OD1-N 3.21Å; D255-T257 PolarHBondContact OD1-OG1 3.15Å; D255-T257 PolarHBondContact OD2-OG1 3.23Å
258	R	97	Very high	97.1	Very high	161 Å²	161	43.5 Å²	43.5	61%	0.608	23%	0.234	S	C	*	.	B	Isolated β-bridge	trans	-119.6	133.8	-178.7	-70	179.3	178.5	-112.2	4.1	111	A250 V251	A250-R258 HydrophobicContact CB-CB 4.34Å; V251-R258 WeakPolarHBondContact O-CA 3.31Å
259	H	98.2	Very high	97.2	Very high	41 Å²	41	45.7 Å²	45.7	19%	0.19	25%	0.245	C	C	.	.			trans	-93.7	150.7	177.2	-63.3	-57.5	0	0	0	111.4	V251 E253 W263	V251-H259 HydrophobicContact CB-CB 4.48Å; V251-H259 PolarHBondContact O-N 3.32Å; E253-H259 IonicContact OE1-CD2 3.21Å; E253-H259 IonicContact OE1-CE1 2.81Å; E253-H259 IonicContact OE1-NE2 3.25Å; E253-H259 PolarHBondContact OE1-NE2 3.09Å; H259-W263 HydrophobicContact CB-CB 3.81Å; H259-W263 HydrophobicContact CB-CD2 3.62Å; H259-W263 HydrophobicContact CB-CE3 3.81Å; H259-W263 HydrophobicContact CB-CG 3.62Å; H259-W263 AromaticContact CD2-CD2 3.82Å; H259-W263 AromaticContact CD2-CE2 3.63Å; H259-W263 AromaticContact CD2-CZ2 3.79Å; H259-W263 AromaticContact CE1-NE1 3.73Å; H259-W263 AromaticContact CG-CD1 3.87Å; H259-W263 AromaticContact CG-CD2 3.58Å; H259-W263 AromaticContact CG-CE2 3.74Å; H259-W263 AromaticContact CG-CG 3.71Å; H259-W263 AromaticContact CG-NE1 3.87Å; H259-W263 AromaticContact ND1-CD1 3.63Å; H259-W263 AromaticContact ND1-CG 3.91Å; H259-W263 AromaticContact ND1-NE1 3.7Å; H259-W263 AromaticContact NE2-CE2 3.84Å; H259-W263 AromaticContact NE2-CZ2 3.94Å; H259-W263 AromaticContact NE2-NE1 3.93Å
260	N	97.6	Very high	97.4	Very high	106 Å²	106	49.6 Å²	49.6	57%	0.567	26%	0.259	S	S	*	.			trans	-86.9	173	177.9	67.9	30.1	0	0	0	111.9	S262 W263 S264	N260-S262 VanDerWaalsContact C-N 3.26Å; N260-S262 PolarHBondContact O-N 3.19Å; N260-S262 WeakPolarHBondContact OD1-CB 3.44Å; N260-S262 PolarHBondContact OD1-N 3.02Å; N260-S262 VanDerWaalsContact OD1-N 3.1Å; N260-W263 WeakPolarHBondContact O-CB 3.41Å; N260-W263 PolarHBondContact O-N 3.37Å; N260-W263 PolarHBondContact OD1-N 3.13Å; N260-S264 PolarHBondContact O-N 2.84Å
261	K	98	Very high	97.5	Very high	69 Å²	69	48.5 Å²	48.5	30%	0.3	25%	0.249	S	C	.	.	H	α-helix	trans	-58.1	-34.3	180	-71.8	173.9	159.1	35.3	0	113.9	L248 W263 S264 M265 F289 T306 L310	L248-K261 HydrophobicContact CB-CB 4.34Å; L248-K261 HydrophobicContact CB-CD 4.45Å; L248-K261 HydrophobicContact CB-CG 3.83Å; L248-K261 HydrophobicContact CD1-CB 4.28Å; L248-K261 HydrophobicContact CD1-CG 4.48Å; L248-K261 WeakPolarHBondContact O-CG 3.25Å; L248-K261 PolarHBondContact O-NZ 3.09Å; K261-W263 VanDerWaalsContact C-N 3.31Å; K261-W263 PolarHBondContact O-N 3.2Å; K261-S264 PolarHBondContact O-N 3.17Å; K261-M265 WeakPolarHBondContact O-CG 3.28Å; K261-M265 PolarHBondContact O-N 3.32Å; K261-F289 HydrophobicContact CD-CE2 4.2Å; K261-F289 HydrophobicContact CD-CZ 4.17Å; K261-T306 HydrophobicContact CD-CG2 3.82Å; K261-L310 HydrophobicContact CB-CD1 4.23Å; K261-L310 HydrophobicContact CB-CD2 4.45Å
262	S	98.1	Very high	97.6	Very high	22 Å²	22	48.9 Å²	48.9	15%	0.154	25%	0.251	C	S	.	.	H	α-helix	trans	-66.5	-34	177.3	-71.3	0	0	0	0	112.5	N260 A266 R313 F314	N260-S262 VanDerWaalsContact C-N 3.26Å; N260-S262 PolarHBondContact O-N 3.19Å; N260-S262 WeakPolarHBondContact OD1-CB 3.44Å; N260-S262 PolarHBondContact OD1-N 3.02Å; N260-S262 VanDerWaalsContact OD1-N 3.1Å; S262-A266 WeakPolarHBondContact O-CB 3.42Å; S262-A266 PolarHBondContact O-N 3.15Å; S262-R313 PolarHBondContact OG-NH1 3.32Å; S262-R313 VanDerWaalsContact OG-NH1 3.08Å; S262-F314 WeakPolarHBondContact O-CZ 3.3Å
263	W	98.6	Very high	97.6	Very high	63 Å²	63	54.9 Å²	54.9	24%	0.239	28%	0.277	C	S	.	.	H	α-helix	trans	-65.2	-45.7	173	-177.3	101.2	0	0	0	110.7	A220 F223 V251 H259 N260 K261 M265 A266 T267	A220-W263 HydrophobicContact CB-CH2 3.9Å; A220-W263 HydrophobicContact CB-CZ2 4.31Å; F223-W263 HydrophobicContact CD1-CZ3 4.06Å; F223-W263 HydrophobicContact CE1-CZ3 4.24Å; V251-W263 HydrophobicContact CB-CE3 4.09Å; V251-W263 HydrophobicContact CB-CH2 4.46Å; V251-W263 HydrophobicContact CB-CZ3 3.69Å; V251-W263 HydrophobicContact CG1-CE3 4.31Å; V251-W263 HydrophobicContact CG1-CH2 3.8Å; V251-W263 HydrophobicContact CG1-CZ3 3.49Å; V251-W263 VanDerWaalsContact CG1-CZ3 3.49Å; V251-W263 HydrophobicContact CG2-CE3 4.38Å; V251-W263 HydrophobicContact CG2-CZ3 3.93Å; H259-W263 HydrophobicContact CB-CB 3.81Å; H259-W263 HydrophobicContact CB-CD2 3.62Å; H259-W263 HydrophobicContact CB-CE3 3.81Å; H259-W263 HydrophobicContact CB-CG 3.62Å; H259-W263 AromaticContact CD2-CD2 3.82Å; H259-W263 AromaticContact CD2-CE2 3.63Å; H259-W263 AromaticContact CD2-CZ2 3.79Å; H259-W263 AromaticContact CE1-NE1 3.73Å; H259-W263 AromaticContact CG-CD1 3.87Å; H259-W263 AromaticContact CG-CD2 3.58Å; H259-W263 AromaticContact CG-CE2 3.74Å; H259-W263 AromaticContact CG-CG 3.71Å; H259-W263 AromaticContact CG-NE1 3.87Å; H259-W263 AromaticContact ND1-CD1 3.63Å; H259-W263 AromaticContact ND1-CG 3.91Å; H259-W263 AromaticContact ND1-NE1 3.7Å; H259-W263 AromaticContact NE2-CE2 3.84Å; H259-W263 AromaticContact NE2-CZ2 3.94Å; H259-W263 AromaticContact NE2-NE1 3.93Å; N260-W263 WeakPolarHBondContact O-CB 3.41Å; N260-W263 PolarHBondContact O-N 3.37Å; N260-W263 PolarHBondContact OD1-N 3.13Å; K261-W263 VanDerWaalsContact C-N 3.31Å; K261-W263 PolarHBondContact O-N 3.2Å; W263-M265 VanDerWaalsContact C-N 3.33Å; W263-M265 PolarHBondContact O-N 3Å; W263-A266 PolarHBondContact O-N 3.45Å; W263-T267 HydrophobicContact CH2-CG2 4.18Å; W263-T267 WeakPolarHBondContact CH2-OG1 3.47Å; W263-T267 HydrophobicContact CZ3-CG2 4.21Å; W263-T267 WeakPolarHBondContact CZ3-OG1 3.44Å; W263-T267 WeakPolarHBondContact O-CB 3.46Å; W263-T267 PolarHBondContact O-N 3.42Å; W263-T267 PolarHBondContact O-OG1 3.36Å; W263-T267 VanDerWaalsContact O-OG1 3.09Å
264	S	98.4	Very high	97.7	Very high	0 Å²	0	56 Å²	56	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-61	-42.6	178.2	-54.5	0	0	0	0	111.5	N260 K261 T267 Y268	N260-S264 PolarHBondContact O-N 2.84Å; K261-S264 PolarHBondContact O-N 3.17Å; S264-T267 PolarHBondContact O-N 3.45Å; S264-Y268 VanDerWaalsContact O-CD2 3.26Å; S264-Y268 WeakPolarHBondContact O-CD2 3.12Å; S264-Y268 PolarHBondContact O-N 2.84Å
265	M	98.5	Very high	97.8	Very high	0 Å²	0	54 Å²	54	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-60.4	-45.2	174.2	-75.4	-61.5	-62.9	0	0	112.9	L248 K261 W263 T267 Y268 Q269 I287 L310 F314 F317 L318	L248-M265 HydrophobicContact CD1-CG 3.8Å; L248-M265 HydrophobicContact CD1-SD 3.78Å; L248-M265 HydrophobicContact CD2-SD 4.26Å; K261-M265 WeakPolarHBondContact O-CG 3.28Å; K261-M265 PolarHBondContact O-N 3.32Å; W263-M265 VanDerWaalsContact C-N 3.33Å; W263-M265 PolarHBondContact O-N 3Å; M265-T267 VanDerWaalsContact C-N 3.32Å; M265-T267 PolarHBondContact O-N 2.84Å; M265-Y268 PolarHBondContact O-N 3.05Å; M265-Q269 WeakPolarHBondContact O-CB 3.34Å; M265-Q269 PolarHBondContact O-N 3.25Å; M265-I287 HydrophobicContact CE-CB 4.06Å; M265-I287 HydrophobicContact CE-CG1 4.36Å; M265-I287 HydrophobicContact CE-CG2 4.47Å; M265-I287 HydrophobicContact SD-CB 3.97Å; M265-I287 HydrophobicContact SD-CG1 4.16Å; M265-I287 HydrophobicContact SD-CG2 3.8Å; M265-L310 HydrophobicContact CG-CD1 4.36Å; M265-L310 HydrophobicContact CG-CD2 4.18Å; M265-F314 HydrophobicContact CB-CD2 3.87Å; M265-F314 HydrophobicContact CB-CE1 4.38Å; M265-F314 HydrophobicContact CB-CE2 3.58Å; M265-F314 HydrophobicContact CB-CG 4.38Å; M265-F314 HydrophobicContact CB-CZ 3.86Å; M265-F314 HydrophobicContact CE-CB 4.25Å; M265-F314 HydrophobicContact CE-CD2 4.43Å; M265-F314 HydrophobicContact CE-CG 4.4Å; M265-F314 HydrophobicContact CG-CD2 4.38Å; M265-F314 HydrophobicContact CG-CE2 4.37Å; M265-F317 HydrophobicContact CE-CD1 3.8Å; M265-F317 HydrophobicContact CE-CE1 4.35Å; M265-L318 HydrophobicContact CE-CB 3.8Å; M265-L318 HydrophobicContact CE-CD1 3.7Å; M265-L318 HydrophobicContact CE-CG 4.32Å; M265-L318 HydrophobicContact SD-CD1 4.1Å
266	A	98.7	Very high	98	Very high	38 Å²	38	50.2 Å²	50.2	31%	0.314	25%	0.253	S	S	.	.	H	α-helix	trans	-63.1	-40.1	176.4	0	0	0	0	0	111.6	S262 W263 Q269 E270 F314	S262-A266 WeakPolarHBondContact O-CB 3.42Å; S262-A266 PolarHBondContact O-N 3.15Å; W263-A266 PolarHBondContact O-N 3.45Å; A266-Q269 PolarHBondContact O-N 3.49Å; A266-E270 WeakPolarHBondContact O-CB 3.36Å; A266-E270 PolarHBondContact O-N 3.25Å; A266-F314 HydrophobicContact CB-CE1 4.2Å; A266-F314 HydrophobicContact CB-CZ 4.16Å
267	T	98.8	Very high	98.3	Very high	4 Å²	4	55.9 Å²	55.9	3%	0.025	27%	0.267	C	S	.	.	H	α-helix	trans	-65.7	-45.7	177.6	-63.9	0	0	0	0	112.1	F223 K224 W263 S264 M265 Q269 E270 V271	F223-T267 HydrophobicContact CD1-CG2 3.76Å; F223-T267 HydrophobicContact CE1-CG2 3.7Å; K224-T267 HydrophobicContact CD-CG2 4.25Å; K224-T267 HydrophobicContact CG-CG2 3.52Å; W263-T267 HydrophobicContact CH2-CG2 4.18Å; W263-T267 WeakPolarHBondContact CH2-OG1 3.47Å; W263-T267 HydrophobicContact CZ3-CG2 4.21Å; W263-T267 WeakPolarHBondContact CZ3-OG1 3.44Å; W263-T267 WeakPolarHBondContact O-CB 3.46Å; W263-T267 PolarHBondContact O-N 3.42Å; W263-T267 PolarHBondContact O-OG1 3.36Å; W263-T267 VanDerWaalsContact O-OG1 3.09Å; S264-T267 PolarHBondContact O-N 3.45Å; M265-T267 VanDerWaalsContact C-N 3.32Å; M265-T267 PolarHBondContact O-N 2.84Å; T267-Q269 VanDerWaalsContact C-N 3.3Å; T267-Q269 PolarHBondContact O-N 2.94Å; T267-E270 PolarHBondContact O-N 3.39Å; T267-V271 HydrophobicContact CG2-CG2 4.37Å; T267-V271 WeakPolarHBondContact O-CG2 3.44Å; T267-V271 PolarHBondContact O-N 3.39Å
268	Y	98.8	Very high	98.5	Very high	4 Å²	4	56 Å²	56	2%	0.016	27%	0.265	C	S	.	.	H	α-helix	trans	-55.3	-48.1	171.9	-81.8	-59.9	0	0	0	110.6	D112 F223 F227 A246 L248 S264 M265 E270 V271 T272 I287	D112-Y268 WeakPolarHBondContact CB-OH 3.34Å; F223-Y268 HydrophobicContact CE1-CE2 4.42Å; F223-Y268 HydrophobicContact CE2-CE1 4.49Å; F223-Y268 HydrophobicContact CE2-CE2 4.15Å; F223-Y268 AromaticContact CE2-CZ 3.8Å; F223-Y268 WeakPolarHBondContact CE2-OH 3.49Å; F223-Y268 HydrophobicContact CZ-CD2 4.02Å; F223-Y268 HydrophobicContact CZ-CE1 4.02Å; F223-Y268 AromaticContact CZ-CE2 3.46Å; F223-Y268 HydrophobicContact CZ-CE2 3.46Å; F223-Y268 VanDerWaalsContact CZ-CE2 3.46Å; F223-Y268 AromaticContact CZ-CZ 3.43Å; F223-Y268 VanDerWaalsContact CZ-CZ 3.43Å; F227-Y268 HydrophobicContact CB-CD1 4.35Å; F227-Y268 HydrophobicContact CB-CE1 4.1Å; F227-Y268 AromaticContact CD1-CD1 3.46Å; F227-Y268 HydrophobicContact CD1-CD1 3.46Å; F227-Y268 VanDerWaalsContact CD1-CD1 3.46Å; F227-Y268 HydrophobicContact CD1-CE1 4.03Å; F227-Y268 AromaticContact CD2-CD1 3.73Å; F227-Y268 HydrophobicContact CD2-CD1 3.73Å; F227-Y268 AromaticContact CD2-CE1 3.59Å; F227-Y268 HydrophobicContact CD2-CE1 3.59Å; F227-Y268 AromaticContact CE1-CD1 3.55Å; F227-Y268 HydrophobicContact CE1-CD1 3.55Å; F227-Y268 HydrophobicContact CE1-CE1 4.4Å; F227-Y268 HydrophobicContact CE1-CG 4.43Å; F227-Y268 WeakPolarHBondContact CE1-O 3.45Å; F227-Y268 AromaticContact CE2-CD1 3.82Å; F227-Y268 HydrophobicContact CE2-CD1 3.82Å; F227-Y268 HydrophobicContact CE2-CE1 4Å; F227-Y268 AromaticContact CG-CD1 3.56Å; F227-Y268 HydrophobicContact CG-CD1 3.56Å; F227-Y268 AromaticContact CG-CE1 3.62Å; F227-Y268 HydrophobicContact CG-CE1 3.62Å; F227-Y268 AromaticContact CZ-CD1 3.72Å; F227-Y268 HydrophobicContact CZ-CD1 3.72Å; F227-Y268 HydrophobicContact CZ-CE1 4.37Å; A246-Y268 HydrophobicContact CB-CE2 4.41Å; L248-Y268 HydrophobicContact CD2-CD2 4.06Å; L248-Y268 HydrophobicContact CD2-CE2 3.64Å; S264-Y268 VanDerWaalsContact O-CD2 3.26Å; S264-Y268 WeakPolarHBondContact O-CD2 3.12Å; S264-Y268 PolarHBondContact O-N 2.84Å; M265-Y268 PolarHBondContact O-N 3.05Å; Y268-E270 PolarHBondContact O-N 3.49Å; Y268-V271 PolarHBondContact O-N 3.24Å; Y268-T272 WeakPolarHBondContact O-CB 3.36Å; Y268-T272 PolarHBondContact O-N 3.45Å; Y268-T272 PolarHBondContact O-OG1 3.49Å; Y268-I287 HydrophobicContact CD1-CD1 4.09Å; Y268-I287 HydrophobicContact CD2-CD1 4Å; Y268-I287 HydrophobicContact CD2-CG1 4.17Å; Y268-I287 HydrophobicContact CE1-CD1 4.47Å; Y268-I287 HydrophobicContact CE2-CD1 4.35Å; Y268-I287 HydrophobicContact CG-CD1 3.89Å; Y268-I287 HydrophobicContact CG-CG1 4.22Å
269	Q	98.8	Very high	98.6	Very high	50 Å²	50	49.9 Å²	49.9	23%	0.234	24%	0.244	C	C	.	.	H	α-helix	trans	-62.5	-41.5	180	-168.1	-175.4	55.1	0	0	112.7	M265 A266 T267 K273 F317	M265-Q269 WeakPolarHBondContact O-CB 3.34Å; M265-Q269 PolarHBondContact O-N 3.25Å; A266-Q269 PolarHBondContact O-N 3.49Å; T267-Q269 VanDerWaalsContact C-N 3.3Å; T267-Q269 PolarHBondContact O-N 2.94Å; Q269-K273 HydrophobicContact CG-CD 4.42Å; Q269-K273 WeakPolarHBondContact O-CB 3.28Å; Q269-K273 VanDerWaalsContact O-CG 3.28Å; Q269-K273 WeakPolarHBondContact O-CG 3.19Å; Q269-K273 PolarHBondContact O-N 2.87Å; Q269-F317 VanDerWaalsContact CA-CZ 3.47Å; Q269-F317 HydrophobicContact CB-CD1 3.83Å; Q269-F317 HydrophobicContact CB-CD2 4.29Å; Q269-F317 HydrophobicContact CB-CE1 3.81Å; Q269-F317 HydrophobicContact CB-CE2 4.25Å; Q269-F317 HydrophobicContact CB-CG 4.09Å; Q269-F317 HydrophobicContact CB-CZ 4.03Å; Q269-F317 HydrophobicContact CG-CD1 4.28Å; Q269-F317 HydrophobicContact CG-CD2 4.03Å; Q269-F317 HydrophobicContact CG-CE2 4.31Å; Q269-F317 HydrophobicContact CG-CG 4.01Å
270	E	98.8	Very high	98.5	Very high	120 Å²	120	52.5 Å²	52.5	56%	0.561	26%	0.264	S	S	*	.	H	α-helix	trans	-64	-48.3	177.9	-175.6	-178.4	-174.1	0	0	111.5	A266 T267 Y268 T272 K273 Q274	A266-E270 WeakPolarHBondContact O-CB 3.36Å; A266-E270 PolarHBondContact O-N 3.25Å; T267-E270 PolarHBondContact O-N 3.39Å; Y268-E270 PolarHBondContact O-N 3.49Å; E270-T272 PolarHBondContact O-N 3Å; E270-K273 PolarHBondContact O-N 3.17Å; E270-Q274 PolarHBondContact O-N 3.46Å
271	V	98.9	Very high	98.5	Very high	15 Å²	15	49.5 Å²	49.5	9%	0.091	25%	0.248	C	C	.	.	H	α-helix	trans	-65.1	-39.6	178.6	174.1	0	0	0	0	111.1	K224 F227 Y228 T267 Y268 K273 Q274 F275	K224-V271 HydrophobicContact CB-CG2 4.33Å; K224-V271 HydrophobicContact CG-CG2 4.35Å; F227-V271 HydrophobicContact CD1-CB 3.65Å; F227-V271 HydrophobicContact CD1-CG1 3.42Å; F227-V271 VanDerWaalsContact CD1-CG1 3.42Å; F227-V271 HydrophobicContact CD1-CG2 4.48Å; F227-V271 HydrophobicContact CE1-CB 4.05Å; F227-V271 HydrophobicContact CE1-CG1 3.97Å; F227-V271 HydrophobicContact CG-CG1 4.32Å; Y228-V271 HydrophobicContact CD2-CG1 4.15Å; Y228-V271 HydrophobicContact CG-CG1 4.49Å; T267-V271 HydrophobicContact CG2-CG2 4.37Å; T267-V271 WeakPolarHBondContact O-CG2 3.44Å; T267-V271 PolarHBondContact O-N 3.39Å; Y268-V271 PolarHBondContact O-N 3.24Å; V271-K273 PolarHBondContact O-N 3.49Å; V271-Q274 PolarHBondContact O-N 3.18Å; V271-F275 WeakPolarHBondContact O-CB 3.43Å; V271-F275 PolarHBondContact O-N 3.03Å
272	T	98.9	Very high	98.6	Very high	8 Å²	8	46.2 Å²	46.2	5%	0.049	23%	0.234	C	C	.	.	H	α-helix	trans	-61.1	-44.6	173.3	-62	0	0	0	0	111.5	F227 Y268 E270 Q274 F275 V276 A285 F317	F227-T272 WeakPolarHBondContact CE1-OG1 3.29Å; F227-T272 WeakPolarHBondContact CZ-OG1 3.19Å; Y268-T272 WeakPolarHBondContact O-CB 3.36Å; Y268-T272 PolarHBondContact O-N 3.45Å; Y268-T272 PolarHBondContact O-OG1 3.49Å; E270-T272 PolarHBondContact O-N 3Å; T272-Q274 VanDerWaalsContact C-N 3.31Å; T272-Q274 PolarHBondContact O-N 3.22Å; T272-F275 PolarHBondContact O-N 2.99Å; T272-V276 HydrophobicContact CG2-CG2 4.35Å; T272-V276 VanDerWaalsContact O-CG2 3.3Å; T272-V276 WeakPolarHBondContact O-CG2 3.47Å; T272-V276 PolarHBondContact O-N 3.1Å; T272-A285 HydrophobicContact CG2-CB 3.9Å; T272-F317 HydrophobicContact CG2-CE2 4.27Å
273	K	98.8	Very high	98.6	Very high	129 Å²	129	46.1 Å²	46.1	56%	0.561	23%	0.232	S	C	*	.	H	α-helix	trans	-60.9	-41.6	176.5	-76.4	170.1	179.1	171.5	0	111.7	Q269 E270 V271 K277	Q269-K273 HydrophobicContact CG-CD 4.42Å; Q269-K273 WeakPolarHBondContact O-CB 3.28Å; Q269-K273 VanDerWaalsContact O-CG 3.28Å; Q269-K273 WeakPolarHBondContact O-CG 3.19Å; Q269-K273 PolarHBondContact O-N 2.87Å; E270-K273 PolarHBondContact O-N 3.17Å; V271-K273 PolarHBondContact O-N 3.49Å; K273-K277 WeakPolarHBondContact O-CB 3.48Å; K273-K277 PolarHBondContact O-N 3.04Å; K273-K277 VanDerWaalsContact O-N 3.1Å
274	Q	98.8	Very high	98.6	Very high	82 Å²	82	43.5 Å²	43.5	38%	0.383	23%	0.225	S	C	.	.	H	α-helix	trans	-63.2	-47.1	175.3	-176.5	55.5	49.9	0	0	110.8	Y228 E270 V271 T272 V276 K277 D278	Y228-Q274 HydrophobicContact CE2-CG 4.46Å; E270-Q274 PolarHBondContact O-N 3.46Å; V271-Q274 PolarHBondContact O-N 3.18Å; T272-Q274 VanDerWaalsContact C-N 3.31Å; T272-Q274 PolarHBondContact O-N 3.22Å; Q274-V276 PolarHBondContact O-N 3.37Å; Q274-K277 WeakPolarHBondContact O-CB 3.28Å; Q274-K277 PolarHBondContact O-N 2.86Å; Q274-K277 VanDerWaalsContact O-N 3.12Å; Q274-D278 PolarHBondContact NE2-OD1 3.26Å; Q274-D278 PolarHBondContact NE2-OD2 3.36Å; Q274-D278 VanDerWaalsContact O-CG 3.29Å; Q274-D278 PolarHBondContact O-N 3.42Å
275	F	98.9	Very high	98.6	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-61.6	-43.2	179.7	-167.6	-87.2	0	0	0	112.8	Y228 L231 L232 Y235 V271 T272 K277 D278 H279 F282	Y228-F275 HydrophobicContact CD1-CD2 4.32Å; Y228-F275 HydrophobicContact CD2-CB 4.32Å; Y228-F275 AromaticContact CD2-CD2 3.89Å; Y228-F275 HydrophobicContact CD2-CD2 3.89Å; Y228-F275 HydrophobicContact CE1-CD2 4.09Å; Y228-F275 HydrophobicContact CE1-CE2 4.26Å; Y228-F275 HydrophobicContact CE2-CB 4.15Å; Y228-F275 AromaticContact CE2-CD2 3.65Å; Y228-F275 HydrophobicContact CE2-CD2 3.65Å; Y228-F275 HydrophobicContact CE2-CG 4.37Å; Y228-F275 HydrophobicContact CG-CD2 4.22Å; Y228-F275 AromaticContact CZ-CD2 3.74Å; L231-F275 HydrophobicContact CB-CD1 4.15Å; L231-F275 HydrophobicContact CB-CD2 3.75Å; L231-F275 HydrophobicContact CB-CE1 4.11Å; L231-F275 HydrophobicContact CB-CE2 3.71Å; L231-F275 HydrophobicContact CB-CG 3.98Å; L231-F275 HydrophobicContact CB-CZ 3.9Å; L231-F275 HydrophobicContact CD1-CB 3.85Å; L231-F275 HydrophobicContact CD1-CD1 4.25Å; L231-F275 HydrophobicContact CD1-CD2 4.21Å; L231-F275 HydrophobicContact CD1-CG 3.83Å; L232-F275 HydrophobicContact CB-CE2 3.98Å; L232-F275 HydrophobicContact CB-CZ 4.45Å; L232-F275 HydrophobicContact CD1-CE2 4.41Å; Y235-F275 HydrophobicContact CG-CE1 4.39Å; Y235-F275 HydrophobicContact CG-CZ 4.18Å; V271-F275 WeakPolarHBondContact O-CB 3.43Å; V271-F275 PolarHBondContact O-N 3.03Å; T272-F275 PolarHBondContact O-N 2.99Å; F275-K277 VanDerWaalsContact C-N 3.29Å; F275-K277 PolarHBondContact O-N 2.75Å; F275-D278 PolarHBondContact O-N 2.82Å; F275-H279 HydrophobicContact CD1-CB 4.46Å; F275-H279 AromaticContact CD1-ND1 3.84Å; F275-H279 AromaticContact CD2-ND1 3.84Å; F275-H279 HydrophobicContact CE1-CB 4.1Å; F275-H279 AromaticContact CE1-CG 3.95Å; F275-H279 AromaticContact CE1-ND1 3.58Å; F275-H279 AromaticContact CE2-CE1 3.6Å; F275-H279 AromaticContact CE2-ND1 3.57Å; F275-H279 AromaticContact CG-ND1 3.96Å; F275-H279 AromaticContact CZ-CE1 3.72Å; F275-H279 AromaticContact CZ-CG 3.99Å; F275-H279 AromaticContact CZ-ND1 3.43Å; F275-H279 WeakPolarHBondContact CZ-ND1 3.44Å; F275-H279 PolarHBondContact O-N 3.05Å; F275-H279 PolarHBondContact O-ND1 3.27Å; F275-F282 HydrophobicContact CD1-CB 4.11Å; F275-F282 AromaticContact CD1-CD1 3.57Å; F275-F282 HydrophobicContact CD1-CD1 3.57Å; F275-F282 HydrophobicContact CD1-CD2 4.37Å; F275-F282 HydrophobicContact CD1-CE1 4.02Å; F275-F282 AromaticContact CD1-CG 3.77Å; F275-F282 HydrophobicContact CD1-CG 3.77Å; F275-F282 HydrophobicContact CE1-CB 3.94Å; F275-F282 AromaticContact CE1-CD1 3.87Å; F275-F282 HydrophobicContact CE1-CD1 3.87Å; F275-F282 AromaticContact CE1-CD2 3.8Å; F275-F282 HydrophobicContact CE1-CD2 3.8Å; F275-F282 HydrophobicContact CE1-CE1 4.29Å; F275-F282 HydrophobicContact CE1-CE2 4.24Å; F275-F282 AromaticContact CE1-CG 3.6Å; F275-F282 HydrophobicContact CE1-CG 3.6Å; F275-F282 HydrophobicContact CE1-CZ 4.48Å
276	V	98.7	Very high	98.6	Very high	36 Å²	36	44 Å²	44	22%	0.218	23%	0.228	C	C	.	.	H	α-helix	trans	-64	-33.8	175.5	170.8	0	0	0	0	111.7	T272 Q274 D278 H279 P280 F282	T272-V276 HydrophobicContact CG2-CG2 4.35Å; T272-V276 VanDerWaalsContact O-CG2 3.3Å; T272-V276 WeakPolarHBondContact O-CG2 3.47Å; T272-V276 PolarHBondContact O-N 3.1Å; Q274-V276 PolarHBondContact O-N 3.37Å; V276-D278 VanDerWaalsContact C-N 3.35Å; V276-H279 CarbonylContact O-C 3.5Å; V276-H279 VanDerWaalsContact O-C 3.24Å; V276-P280 WeakPolarHBondContact O-CA 3.3Å; V276-F282 HydrophobicContact CG2-CD1 4.01Å
277	K	98.7	Very high	98.6	Very high	156 Å²	156	42.2 Å²	42.2	68%	0.678	21%	0.213	S	C	*	.	H	α-helix	trans	-66.9	-39.7	174.4	-179.5	-174.7	173.1	-170.9	0	111.3	K273 Q274 F275	K273-K277 WeakPolarHBondContact O-CB 3.48Å; K273-K277 PolarHBondContact O-N 3.04Å; K273-K277 VanDerWaalsContact O-N 3.1Å; Q274-K277 WeakPolarHBondContact O-CB 3.28Å; Q274-K277 PolarHBondContact O-N 2.86Å; Q274-K277 VanDerWaalsContact O-N 3.12Å; F275-K277 VanDerWaalsContact C-N 3.29Å; F275-K277 PolarHBondContact O-N 2.75Å
278	D	98.8	Very high	98.6	Very high	72 Å²	72	42 Å²	42	39%	0.385	21%	0.212	S	C	.	.	H	α-helix	trans	-77.7	-27.1	-179.6	-60.6	-25.5	0	0	0	112.1	Y228 Q274 F275 V276	Y228-D278 PolarHBondContact OH-OD2 3.08Å; Q274-D278 PolarHBondContact NE2-OD1 3.26Å; Q274-D278 PolarHBondContact NE2-OD2 3.36Å; Q274-D278 VanDerWaalsContact O-CG 3.29Å; Q274-D278 PolarHBondContact O-N 3.42Å; F275-D278 PolarHBondContact O-N 2.82Å; V276-D278 VanDerWaalsContact C-N 3.35Å
279	H	98.6	Very high	98.6	Very high	33 Å²	33	42.1 Å²	42.1	15%	0.153	21%	0.212	C	C	.	.			trans	-131	83.9	179.1	-50.7	90.1	0	0	0	110.5	Y235 F275 V276 D281 F282	Y235-H279 AromaticContact CD1-CD2 3.89Å; Y235-H279 HydrophobicContact CD2-CB 4.49Å; Y235-H279 AromaticContact CE1-CD2 3.5Å; Y235-H279 VanDerWaalsContact CE1-CD2 3.5Å; Y235-H279 WeakPolarHBondContact CE1-CD2 3.49Å; Y235-H279 HydrophobicContact CE2-CB 4.09Å; Y235-H279 AromaticContact CZ-CD2 3.82Å; F275-H279 HydrophobicContact CD1-CB 4.46Å; F275-H279 AromaticContact CD1-ND1 3.84Å; F275-H279 AromaticContact CD2-ND1 3.84Å; F275-H279 HydrophobicContact CE1-CB 4.1Å; F275-H279 AromaticContact CE1-CG 3.95Å; F275-H279 AromaticContact CE1-ND1 3.58Å; F275-H279 AromaticContact CE2-CE1 3.6Å; F275-H279 AromaticContact CE2-ND1 3.57Å; F275-H279 AromaticContact CG-ND1 3.96Å; F275-H279 AromaticContact CZ-CE1 3.72Å; F275-H279 AromaticContact CZ-CG 3.99Å; F275-H279 AromaticContact CZ-ND1 3.43Å; F275-H279 WeakPolarHBondContact CZ-ND1 3.44Å; F275-H279 PolarHBondContact O-N 3.05Å; F275-H279 PolarHBondContact O-ND1 3.27Å; V276-H279 CarbonylContact O-C 3.5Å; V276-H279 VanDerWaalsContact O-C 3.24Å; H279-D281 PolarHBondContact O-N 3.05Å; H279-D281 VanDerWaalsContact O-N 3.09Å; H279-F282 HydrophobicContact CB-CB 4.1Å; H279-F282 VanDerWaalsContact O-CB 3.31Å; H279-F282 WeakPolarHBondContact O-CB 3.49Å; H279-F282 PolarHBondContact O-N 3.22Å
280	P	97.4	Very high	98.6	Very high	95 Å²	95	39.9 Å²	39.9	62%	0.617	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.2	-18.2	-170.2	-26.4	36.1	0	0	0	116.3	V276	V276-P280 WeakPolarHBondContact O-CA 3.3Å
281	D	97.6	Very high	98.6	Very high	43 Å²	43	34.3 Å²	34.3	23%	0.23	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.2	-0.2	174.5	67.3	-39.7	0	0	0	113	Y235 H279 V495 K499	Y235-D281 WeakPolarHBondContact CE2-OD1 3.39Å; Y235-D281 PolarHBondContact OH-OD1 3.21Å; Y235-D281 VanDerWaalsContact OH-OD1 3.13Å; Y235-D281 PolarHBondContact OH-OD2 3.31Å; H279-D281 PolarHBondContact O-N 3.05Å; H279-D281 VanDerWaalsContact O-N 3.09Å; D281-V495 HydrophobicContact CB-CG1 3.95Å; D281-V495 WeakPolarHBondContact O-CG1 3.45Å; D281-K499 WeakPolarHBondContact OD2-CE 3.42Å; D281-K499 IonicContact OD2-NZ 3.7Å; D281-K499 PolarHBondContact OD2-NZ 3.42Å
282	F	98.7	Very high	98.6	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	18%	0.183	C	C	.	.			trans	-84.2	121.7	161	-164.4	-98.4	0	0	0	109	L231 Y235 V242 F275 V276 H279 G284	L231-F282 HydrophobicContact CD2-CE1 4.28Å; L231-F282 HydrophobicContact CD2-CZ 3.95Å; Y235-F282 HydrophobicContact CD2-CB 4.36Å; Y235-F282 HydrophobicContact CD2-CD2 4.04Å; V242-F282 HydrophobicContact CG1-CZ 4.24Å; F275-F282 HydrophobicContact CD1-CB 4.11Å; F275-F282 AromaticContact CD1-CD1 3.57Å; F275-F282 HydrophobicContact CD1-CD1 3.57Å; F275-F282 HydrophobicContact CD1-CD2 4.37Å; F275-F282 HydrophobicContact CD1-CE1 4.02Å; F275-F282 AromaticContact CD1-CG 3.77Å; F275-F282 HydrophobicContact CD1-CG 3.77Å; F275-F282 HydrophobicContact CE1-CB 3.94Å; F275-F282 AromaticContact CE1-CD1 3.87Å; F275-F282 HydrophobicContact CE1-CD1 3.87Å; F275-F282 AromaticContact CE1-CD2 3.8Å; F275-F282 HydrophobicContact CE1-CD2 3.8Å; F275-F282 HydrophobicContact CE1-CE1 4.29Å; F275-F282 HydrophobicContact CE1-CE2 4.24Å; F275-F282 AromaticContact CE1-CG 3.6Å; F275-F282 HydrophobicContact CE1-CG 3.6Å; F275-F282 HydrophobicContact CE1-CZ 4.48Å; V276-F282 HydrophobicContact CG2-CD1 4.01Å; H279-F282 HydrophobicContact CB-CB 4.1Å; H279-F282 VanDerWaalsContact O-CB 3.31Å; H279-F282 WeakPolarHBondContact O-CB 3.49Å; H279-F282 PolarHBondContact O-N 3.22Å; F282-G284 WeakPolarHBondContact CE1-O 3.4Å
283	V	97.9	Very high	98.5	Very high	20 Å²	20	35.5 Å²	35.5	12%	0.121	18%	0.181	C	C	.	.			trans	-76.5	-36.4	-173	-177.9	0	0	0	0	111.4	Q240 M484 A492	Q240-V283 HydrophobicContact CB-CG2 4.36Å; Q240-V283 WeakPolarHBondContact O-CB 3.31Å; Q240-V283 PolarHBondContact O-N 2.89Å; V283-M484 HydrophobicContact CG1-SD 3.85Å; V283-A492 HydrophobicContact CG1-CB 4.17Å; V283-A492 HydrophobicContact CG2-CB 3.84Å
284	G	98.3	Very high	98.4	Very high	8 Å²	8	33 Å²	33	8%	0.082	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	147.3	-164.9	176.2	0	0	0	0	0	113.7	Y241 V242 F282	Y241-G284 WeakPolarHBondContact CA-O 3.39Å; Y241-G284 WeakPolarHBondContact CD2-O 3.23Å; V242-G284 PolarHBondContact N-O 3.07Å; F282-G284 WeakPolarHBondContact CE1-O 3.4Å
285	A	98.7	Very high	98.3	Very high	5 Å²	5	31.9 Å²	31.9	4%	0.041	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	157.5	176.2	0	0	0	0	0	110.1	F227 L231 V242 T272 F317	F227-A285 HydrophobicContact CZ-CB 4.34Å; L231-A285 HydrophobicContact CD2-CB 4.47Å; V242-A285 HydrophobicContact CG1-CB 3.54Å; V242-A285 CarbonylContact O-C 3.59Å; V242-A285 WeakPolarHBondContact O-CA 3.15Å; T272-A285 HydrophobicContact CG2-CB 3.9Å; A285-F317 WeakPolarHBondContact O-CD2 3.35Å; A285-F317 WeakPolarHBondContact O-CE2 3.46Å
286	K	98.9	Very high	98.3	Very high	7 Å²	7	35.8 Å²	35.8	3%	0.03	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	158.4	167.3	-63.6	-171.2	-161.9	-62.5	0	110.8	Y241 V242 E243 I244 D316 F317 A319 A483 E488	Y241-K286 HydrophobicContact CE2-CG 4.27Å; Y241-K286 VanDerWaalsContact OH-CD 3.31Å; Y241-K286 WeakPolarHBondContact OH-CD 3.34Å; Y241-K286 VanDerWaalsContact OH-CG 3.28Å; Y241-K286 WeakPolarHBondContact OH-CG 3.16Å; V242-K286 PolarHBondContact O-N 3.01Å; E243-K286 WeakPolarHBondContact CA-O 3.43Å; E243-K286 HydrophobicContact CG-CB 4.34Å; I244-K286 PolarHBondContact N-O 3.06Å; K286-D316 PolarHBondContact NZ-O 2.83Å; K286-F317 WeakPolarHBondContact CA-O 3.4Å; K286-F317 WeakPolarHBondContact CB-O 3.46Å; K286-A319 HydrophobicContact CB-CB 4.24Å; K286-A319 HydrophobicContact CD-CB 4.5Å; K286-A483 HydrophobicContact CD-CB 4.5Å; K286-A483 VanDerWaalsContact CE-O 3.22Å; K286-A483 WeakPolarHBondContact CE-O 3.36Å; K286-E488 VanDerWaalsContact CE-OE2 3.27Å; K286-E488 WeakPolarHBondContact CE-OE2 3.04Å; K286-E488 IonicContact NZ-OE1 3.88Å; K286-E488 PolarHBondContact NZ-OE1 3.07Å; K286-E488 VanDerWaalsContact NZ-OE1 3.07Å; K286-E488 IonicContact NZ-OE2 3Å; K286-E488 PolarHBondContact NZ-OE2 3.01Å
287	I	98.9	Very high	98.2	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	138.1	179.3	-56.7	-58.6	0	0	0	110.1	I244 A246 M265 Y268 F317 L318 A319	I244-I287 HydrophobicContact CB-CD1 4.09Å; I244-I287 CarbonylContact O-C 3.23Å; I244-I287 WeakPolarHBondContact O-CA 2.87Å; A246-I287 HydrophobicContact CB-CG2 3.69Å; M265-I287 HydrophobicContact CE-CB 4.06Å; M265-I287 HydrophobicContact CE-CG1 4.36Å; M265-I287 HydrophobicContact CE-CG2 4.47Å; M265-I287 HydrophobicContact SD-CB 3.97Å; M265-I287 HydrophobicContact SD-CG1 4.16Å; M265-I287 HydrophobicContact SD-CG2 3.8Å; Y268-I287 HydrophobicContact CD1-CD1 4.09Å; Y268-I287 HydrophobicContact CD2-CD1 4Å; Y268-I287 HydrophobicContact CD2-CG1 4.17Å; Y268-I287 HydrophobicContact CE1-CD1 4.47Å; Y268-I287 HydrophobicContact CE2-CD1 4.35Å; Y268-I287 HydrophobicContact CG-CD1 3.89Å; Y268-I287 HydrophobicContact CG-CG1 4.22Å; I287-F317 HydrophobicContact CG1-CD1 4.27Å; I287-F317 HydrophobicContact CG1-CE1 3.6Å; I287-F317 HydrophobicContact CG1-CZ 4.09Å; I287-F317 PolarHBondContact N-O 3.18Å; I287-L318 HydrophobicContact CB-CD1 4.29Å; I287-L318 HydrophobicContact CG2-CD1 4.16Å; I287-L318 CarbonylContact O-C 3.55Å; I287-L318 WeakPolarHBondContact O-CA 3.45Å; I287-L318 WeakPolarHBondContact O-CD1 3.24Å; I287-A319 PolarHBondContact O-N 3.03Å
288	I	98.9	Very high	98.1	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	113.5	165.5	-63.9	162.9	0	0	0	105.9	E243 I244 R245 A246 A319 D322 F353	E243-I288 HydrophobicContact CB-CD1 4.22Å; I244-I288 PolarHBondContact O-N 2.91Å; R245-I288 CarbonylContact C-O 3.44Å; R245-I288 WeakPolarHBondContact CA-O 3.45Å; R245-I288 HydrophobicContact CG-CB 4.49Å; R245-I288 HydrophobicContact CG-CG2 4.43Å; A246-I288 PolarHBondContact N-O 2.8Å; I288-A319 HydrophobicContact CG1-CB 3.88Å; I288-D322 HydrophobicContact CG2-CB 3.62Å; I288-F353 HydrophobicContact CD1-CB 3.99Å; I288-F353 HydrophobicContact CD1-CD1 4.14Å; I288-F353 HydrophobicContact CD1-CD2 3.89Å; I288-F353 HydrophobicContact CD1-CE2 4.43Å; I288-F353 HydrophobicContact CD1-CG 3.73Å; I288-F353 HydrophobicContact CG1-CD2 3.86Å; I288-F353 HydrophobicContact CG1-CE2 4.21Å; I288-F353 HydrophobicContact CG1-CG 4.23Å; I288-F353 HydrophobicContact CG2-CB 4.22Å; I288-F353 HydrophobicContact CG2-CD2 4Å; I288-F353 HydrophobicContact CG2-CG 4.44Å
289	F	98.9	Very high	98.1	Very high	5 Å²	5	33.5 Å²	33.5	2%	0.022	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	133.4	-178.9	171.2	-127	0	0	0	109.7	A246 L248 K261 A303 T306 A307 L310 L318 G320 F321 D322	A246-F289 WeakPolarHBondContact O-CD2 3.41Å; L248-F289 HydrophobicContact CB-CD2 4.44Å; L248-F289 HydrophobicContact CB-CE2 4.43Å; L248-F289 HydrophobicContact CD1-CD2 3.67Å; L248-F289 HydrophobicContact CD1-CE2 4.28Å; L248-F289 HydrophobicContact CD1-CG 4.35Å; L248-F289 HydrophobicContact CG-CD2 4.01Å; L248-F289 HydrophobicContact CG-CE2 4.48Å; K261-F289 HydrophobicContact CD-CE2 4.2Å; K261-F289 HydrophobicContact CD-CZ 4.17Å; F289-A303 HydrophobicContact CE1-CB 4.26Å; F289-A303 WeakPolarHBondContact CE1-O 3.11Å; F289-A303 HydrophobicContact CZ-CB 4.46Å; F289-T306 HydrophobicContact CE1-CG2 4.07Å; F289-T306 HydrophobicContact CZ-CG2 4.38Å; F289-A307 HydrophobicContact CD1-CB 3.78Å; F289-A307 HydrophobicContact CE1-CB 4.37Å; F289-L310 HydrophobicContact CD1-CD1 4.44Å; F289-L310 HydrophobicContact CG-CD1 4.39Å; F289-L318 HydrophobicContact CB-CD1 3.78Å; F289-G320 PolarHBondContact N-O 3.36Å; F289-F321 AromaticContact CD1-CD2 3.75Å; F289-F321 HydrophobicContact CD1-CD2 3.75Å; F289-F321 AromaticContact CD1-CE2 3.93Å; F289-F321 HydrophobicContact CD1-CE2 3.93Å; F289-F321 HydrophobicContact CE1-CD2 4.25Å; F289-F321 AromaticContact CE1-CE2 3.96Å; F289-F321 HydrophobicContact CE1-CE2 3.96Å; F289-F321 HydrophobicContact CG-CD2 4.42Å; F289-F321 CarbonylContact O-C 3.6Å; F289-F321 VanDerWaalsContact O-CA 3.23Å; F289-F321 WeakPolarHBondContact O-CA 3.4Å; F289-F321 WeakPolarHBondContact O-CD2 3.39Å; F289-D322 PolarHBondContact O-N 2.92Å
290	T	98.8	Very high	98.1	Very high	3 Å²	3	31.9 Å²	31.9	2%	0.018	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	154.5	-175.8	68.7	0	0	0	0	113.4	R245 A246 L247 D322 V324	R245-T290 HydrophobicContact CB-CG2 3.54Å; R245-T290 HydrophobicContact CG-CG2 3.58Å; A246-T290 PolarHBondContact O-N 2.66Å; A246-T290 PolarHBondContact O-OG1 3.03Å; L247-T290 PolarHBondContact N-OG1 3Å; T290-D322 VanDerWaalsContact CA-O 3.27Å; T290-D322 WeakPolarHBondContact CA-O 3.29Å; T290-D322 HydrophobicContact CG2-CB 3.94Å; T290-V324 HydrophobicContact CG2-CG1 3.81Å
291	A	98.5	Very high	98.1	Very high	4 Å²	4	31.1 Å²	31.1	3%	0.033	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	149.5	163.9	0	0	0	0	0	110	R293 L295 I300 A303 F321 D322 L323 V324	A291-R293 PolarHBondContact O-N 2.99Å; A291-L295 HydrophobicContact CB-CD1 4.33Å; A291-I300 HydrophobicContact CB-CD1 3.84Å; A291-A303 HydrophobicContact CB-CB 3.75Å; A291-F321 HydrophobicContact CB-CE2 4.15Å; A291-F321 HydrophobicContact CB-CZ 3.75Å; A291-D322 PolarHBondContact N-O 3.08Å; A291-L323 HydrophobicContact CB-CD2 4.15Å; A291-L323 WeakPolarHBondContact O-CA 3.25Å; A291-V324 PolarHBondContact O-N 3.09Å
292	H	98.1	Very high	98.2	Very high	48 Å²	48	33.3 Å²	33.3	22%	0.222	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	128.7	175.9	-162.3	-90.3	0	0	0	110.2	E207 M294 L295 V324 G325	E207-H292 IonicContact OE1-CE1 3.2Å; E207-H292 IonicContact OE1-NE2 3.98Å; E207-H292 PolarHBondContact OE1-NE2 2.88Å; H292-M294 WeakPolarHBondContact ND1-CB 3.39Å; H292-M294 PolarHBondContact ND1-N 2.98Å; H292-M294 PolarHBondContact O-N 3.29Å; H292-M294 VanDerWaalsContact O-N 3.15Å; H292-L295 HydrophobicContact CB-CD1 4.38Å; H292-L295 HydrophobicContact CB-CG 4.18Å; H292-L295 WeakPolarHBondContact O-CB 3.39Å; H292-L295 VanDerWaalsContact O-CG 3.27Å; H292-L295 WeakPolarHBondContact O-CG 3.49Å; H292-L295 PolarHBondContact O-N 3.2Å; H292-V324 CarbonylContact C-O 3.52Å; H292-V324 WeakPolarHBondContact CA-O 3.34Å; H292-G325 WeakPolarHBondContact NE2-CA 3.41Å
293	R	97.8	Very high	98.2	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.6	-8.9	-173.1	70.5	-175	-51.1	158.5	2.1	115.2	A291 L323 V324 G325 E327 H331 N369	A291-R293 PolarHBondContact O-N 2.99Å; R293-L323 HydrophobicContact CB-CB 4.33Å; R293-V324 WeakPolarHBondContact CG-O 3.47Å; R293-V324 PolarHBondContact N-O 3Å; R293-G325 VanDerWaalsContact CD-O 3.29Å; R293-G325 WeakPolarHBondContact CD-O 3.45Å; R293-E327 IonicContact CZ-OE1 3.07Å; R293-E327 IonicContact NH1-OE1 3.94Å; R293-E327 PolarHBondContact NH1-OE1 3.47Å; R293-E327 IonicContact NH2-OE1 2.93Å; R293-E327 PolarHBondContact NH2-OE1 2.98Å; R293-H331 PolarHBondContact NE-O 3.24Å; R293-H331 PolarHBondContact NH2-O 2.85Å; R293-H331 WeakPolarHBondContact O-CB 3.23Å; R293-H331 PolarHBondContact O-CD2 3.27Å; R293-H331 PolarHBondContact O-N 3.1Å; R293-H331 VanDerWaalsContact O-N 3.13Å; R293-N369 PolarHBondContact NH2-ND2 3.08Å
294	M	96.4	Very high	98.2	Very high	77 Å²	77	32.8 Å²	32.8	38%	0.379	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.3	-4.3	170.7	-60.8	-176.8	176.2	0	0	113.7	H292 N326 E329	H292-M294 WeakPolarHBondContact ND1-CB 3.39Å; H292-M294 PolarHBondContact ND1-N 2.98Å; H292-M294 PolarHBondContact O-N 3.29Å; H292-M294 VanDerWaalsContact O-N 3.15Å; M294-N326 HydrophobicContact CE-CB 4.15Å; M294-E329 HydrophobicContact CE-CB 3.59Å
295	L	97.6	Very high	98.2	Very high	58 Å²	58	36.8 Å²	36.8	30%	0.304	20%	0.195	S	C	.	.	S	Bend	trans	-65.7	149.3	173.7	-67.4	173.6	0	0	0	110.1	A291 H292 Q299 I300 H331	A291-L295 HydrophobicContact CB-CD1 4.33Å; H292-L295 HydrophobicContact CB-CD1 4.38Å; H292-L295 HydrophobicContact CB-CG 4.18Å; H292-L295 WeakPolarHBondContact O-CB 3.39Å; H292-L295 VanDerWaalsContact O-CG 3.27Å; H292-L295 WeakPolarHBondContact O-CG 3.49Å; H292-L295 PolarHBondContact O-N 3.2Å; L295-Q299 HydrophobicContact CB-CB 4Å; L295-Q299 HydrophobicContact CD1-CB 4.44Å; L295-I300 HydrophobicContact CB-CD1 3.83Å; L295-I300 HydrophobicContact CB-CG1 4.19Å; L295-I300 HydrophobicContact CD1-CD1 4.33Å; L295-H331 PolarHBondContact O-CD2 3.26Å; L295-H331 VanDerWaalsContact O-CD2 3.32Å
296	N	97.2	Very high	98.2	Very high	82 Å²	82	38.7 Å²	38.7	44%	0.439	21%	0.207	S	C	.	.			trans	-66	158.6	177.6	70.4	51.4	0	0	0	111.2	S298 Q299 I300	N296-S298 PolarHBondContact O-N 3.4Å; N296-S298 VanDerWaalsContact O-N 3.09Å; N296-S298 WeakPolarHBondContact OD1-CB 3.41Å; N296-S298 PolarHBondContact OD1-N 3.41Å; N296-S298 VanDerWaalsContact OD1-N 3.13Å; N296-Q299 VanDerWaalsContact CG-OE1 3.26Å; N296-Q299 PolarHBondContact ND2-OE1 2.69Å; N296-Q299 WeakPolarHBondContact O-CB 3.2Å; N296-Q299 PolarHBondContact O-N 3.29Å; N296-Q299 WeakPolarHBondContact OD1-CG 3.41Å; N296-Q299 PolarHBondContact OD1-N 2.73Å; N296-I300 PolarHBondContact O-N 3.48Å
297	V	97	Very high	98.2	Very high	56 Å²	56	38.4 Å²	38.4	34%	0.339	21%	0.205	S	C	.	.	H	α-helix	trans	-54.8	-35.5	-175.6	179.8	0	0	0	0	112.8	I300 K301 L336	V297-I300 PolarHBondContact O-N 3.47Å; V297-K301 HydrophobicContact CG1-CD 4.45Å; V297-K301 WeakPolarHBondContact O-CG 2.92Å; V297-K301 PolarHBondContact O-N 3.03Å; V297-L336 HydrophobicContact CG2-CD2 4.11Å
298	S	97.6	Very high	98.2	Very high	73 Å²	73	39.8 Å²	39.8	51%	0.51	21%	0.213	S	C	.	.	H	α-helix	trans	-64.9	-44.6	177.9	-167.3	0	0	0	0	111.7	N296 I300 K301 D302	N296-S298 PolarHBondContact O-N 3.4Å; N296-S298 VanDerWaalsContact O-N 3.09Å; N296-S298 WeakPolarHBondContact OD1-CB 3.41Å; N296-S298 PolarHBondContact OD1-N 3.41Å; N296-S298 VanDerWaalsContact OD1-N 3.13Å; S298-I300 VanDerWaalsContact C-N 3.33Å; S298-I300 PolarHBondContact O-N 2.99Å; S298-K301 WeakPolarHBondContact O-CB 3.41Å; S298-K301 PolarHBondContact O-N 2.71Å; S298-D302 PolarHBondContact O-N 3.4Å
299	Q	98.1	Very high	98.2	Very high	86 Å²	86	42.7 Å²	42.7	40%	0.402	24%	0.237	S	C	.	.	H	α-helix	trans	-65.8	-36	177.7	-69.2	172.2	-53.6	0	0	111.9	L295 N296 D302 A303	L295-Q299 HydrophobicContact CB-CB 4Å; L295-Q299 HydrophobicContact CD1-CB 4.44Å; N296-Q299 VanDerWaalsContact CG-OE1 3.26Å; N296-Q299 PolarHBondContact ND2-OE1 2.69Å; N296-Q299 WeakPolarHBondContact O-CB 3.2Å; N296-Q299 PolarHBondContact O-N 3.29Å; N296-Q299 WeakPolarHBondContact OD1-CG 3.41Å; N296-Q299 PolarHBondContact OD1-N 2.73Å; Q299-D302 PolarHBondContact O-N 3.35Å; Q299-A303 PolarHBondContact O-N 2.88Å
300	I	98.5	Very high	98.2	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-65.4	-41.6	173	-62.7	-58.9	0	0	0	111	A291 L295 N296 V297 S298 D302 A303 I304 L323 L336 A339	A291-I300 HydrophobicContact CB-CD1 3.84Å; L295-I300 HydrophobicContact CB-CD1 3.83Å; L295-I300 HydrophobicContact CB-CG1 4.19Å; L295-I300 HydrophobicContact CD1-CD1 4.33Å; N296-I300 PolarHBondContact O-N 3.48Å; V297-I300 PolarHBondContact O-N 3.47Å; S298-I300 VanDerWaalsContact C-N 3.33Å; S298-I300 PolarHBondContact O-N 2.99Å; I300-D302 VanDerWaalsContact C-N 3.33Å; I300-D302 PolarHBondContact O-N 3.37Å; I300-A303 WeakPolarHBondContact O-CB 3.49Å; I300-A303 PolarHBondContact O-N 3.13Å; I300-A303 VanDerWaalsContact O-N 3.15Å; I300-I304 WeakPolarHBondContact O-CG1 2.83Å; I300-I304 PolarHBondContact O-N 3.26Å; I300-L323 HydrophobicContact CD1-CD2 3.79Å; I300-L323 HydrophobicContact CG2-CD2 4.49Å; I300-L336 HydrophobicContact CB-CD2 4.46Å; I300-L336 HydrophobicContact CG1-CD1 4.46Å; I300-L336 HydrophobicContact CG1-CD2 4.21Å; I300-L336 HydrophobicContact CG2-CD1 4.4Å; I300-L336 HydrophobicContact CG2-CD2 4.39Å; I300-A339 HydrophobicContact CG2-CB 4.04Å
301	K	98.4	Very high	98.1	Very high	78 Å²	78	45.3 Å²	45.3	34%	0.339	25%	0.246	S	C	.	.	H	α-helix	trans	-58.8	-45	173.6	-72.4	176.9	177.6	178.8	0	111.5	V297 S298 A303 I304 I305 A339 I342	V297-K301 HydrophobicContact CG1-CD 4.45Å; V297-K301 WeakPolarHBondContact O-CG 2.92Å; V297-K301 PolarHBondContact O-N 3.03Å; S298-K301 WeakPolarHBondContact O-CB 3.41Å; S298-K301 PolarHBondContact O-N 2.71Å; K301-A303 VanDerWaalsContact C-N 3.28Å; K301-A303 PolarHBondContact O-N 3.03Å; K301-I304 PolarHBondContact O-N 2.85Å; K301-I305 WeakPolarHBondContact O-CG1 3.24Å; K301-I305 PolarHBondContact O-N 3.29Å; K301-A339 HydrophobicContact CG-CB 3.49Å; K301-A339 VanDerWaalsContact CG-CB 3.49Å; K301-I342 HydrophobicContact CB-CD1 4.21Å; K301-I342 HydrophobicContact CD-CD1 4.34Å; K301-I342 HydrophobicContact CG-CD1 3.85Å
302	D	98.4	Very high	98.1	Very high	89 Å²	89	49.2 Å²	49.2	48%	0.476	28%	0.278	S	S	.	.	H	α-helix	trans	-61.5	-38.1	176.1	-66.3	-24.2	0	0	0	111.7	S298 Q299 I300 I305 T306	S298-D302 PolarHBondContact O-N 3.4Å; Q299-D302 PolarHBondContact O-N 3.35Å; I300-D302 VanDerWaalsContact C-N 3.33Å; I300-D302 PolarHBondContact O-N 3.37Å; D302-I305 PolarHBondContact O-N 2.92Å; D302-T306 VanDerWaalsContact O-CB 3.32Å; D302-T306 WeakPolarHBondContact O-CB 3.34Å; D302-T306 PolarHBondContact O-N 3.37Å; D302-T306 PolarHBondContact O-OG1 3.47Å
303	A	98.6	Very high	98.1	Very high	10 Å²	10	54.4 Å²	54.4	8%	0.083	30%	0.296	C	S	.	.	H	α-helix	trans	-65.1	-42.8	175.1	0	0	0	0	0	112	F289 A291 Q299 I300 K301 T306 A307 F321	F289-A303 HydrophobicContact CE1-CB 4.26Å; F289-A303 WeakPolarHBondContact CE1-O 3.11Å; F289-A303 HydrophobicContact CZ-CB 4.46Å; A291-A303 HydrophobicContact CB-CB 3.75Å; Q299-A303 PolarHBondContact O-N 2.88Å; I300-A303 WeakPolarHBondContact O-CB 3.49Å; I300-A303 PolarHBondContact O-N 3.13Å; I300-A303 VanDerWaalsContact O-N 3.15Å; K301-A303 VanDerWaalsContact C-N 3.28Å; K301-A303 PolarHBondContact O-N 3.03Å; A303-T306 CarbonylContact O-C 3.5Å; A303-T306 WeakPolarHBondContact O-CB 3.43Å; A303-T306 PolarHBondContact O-N 3.37Å; A303-A307 WeakPolarHBondContact O-CB 3.48Å; A303-A307 PolarHBondContact O-N 3.11Å; A303-F321 HydrophobicContact CB-CE2 4.07Å; A303-F321 HydrophobicContact CB-CZ 4.21Å
304	I	98.7	Very high	98.1	Very high	0 Å²	0	55.1 Å²	55.1	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-62.7	-44.5	176	-68.4	-64.9	0	0	0	111.6	I300 K301 T306 A307 M308 F321 L340 I342 P343 L350 Y352	I300-I304 WeakPolarHBondContact O-CG1 2.83Å; I300-I304 PolarHBondContact O-N 3.26Å; K301-I304 PolarHBondContact O-N 2.85Å; I304-T306 VanDerWaalsContact C-N 3.28Å; I304-T306 PolarHBondContact O-N 3.21Å; I304-A307 WeakPolarHBondContact O-CB 3.43Å; I304-A307 PolarHBondContact O-N 2.99Å; I304-M308 HydrophobicContact CG2-SD 4.42Å; I304-M308 WeakPolarHBondContact O-CG 3.42Å; I304-M308 PolarHBondContact O-N 3.22Å; I304-F321 HydrophobicContact CD1-CD1 3.5Å; I304-F321 VanDerWaalsContact CD1-CD1 3.5Å; I304-F321 HydrophobicContact CD1-CD2 4.37Å; I304-F321 HydrophobicContact CD1-CE1 3.43Å; I304-F321 VanDerWaalsContact CD1-CE1 3.43Å; I304-F321 HydrophobicContact CD1-CE2 4.31Å; I304-F321 HydrophobicContact CD1-CG 3.97Å; I304-F321 HydrophobicContact CD1-CZ 3.85Å; I304-F321 HydrophobicContact CG1-CE1 4.41Å; I304-F321 HydrophobicContact CG1-CZ 4.5Å; I304-L340 HydrophobicContact CD1-CD2 3.85Å; I304-L340 HydrophobicContact CG1-CD2 4.33Å; I304-I342 HydrophobicContact CG2-CB 4.29Å; I304-P343 HydrophobicContact CG2-CG 3.73Å; I304-L350 HydrophobicContact CD1-CD2 4.33Å; I304-L350 HydrophobicContact CG2-CD2 4.46Å; I304-Y352 HydrophobicContact CD1-CE1 3.95Å
305	I	98.6	Very high	98.2	Very high	91 Å²	91	55.1 Å²	55.1	47%	0.467	30%	0.304	S	S	.	.	H	α-helix	trans	-61	-42.1	175.2	-65.9	165.9	0	0	0	110.3	K301 D302 M308 A309	K301-I305 WeakPolarHBondContact O-CG1 3.24Å; K301-I305 PolarHBondContact O-N 3.29Å; D302-I305 PolarHBondContact O-N 2.92Å; I305-M308 PolarHBondContact O-N 3.38Å; I305-A309 PolarHBondContact O-N 2.88Å
306	T	98.6	Very high	98.1	Very high	46 Å²	46	57 Å²	57	28%	0.282	32%	0.315	S	S	.	.	H	α-helix	trans	-62.4	-42.1	175.4	-60.4	0	0	0	0	111.6	K261 F289 D302 A303 I304 M308 A309 L310	K261-T306 HydrophobicContact CD-CG2 3.82Å; F289-T306 HydrophobicContact CE1-CG2 4.07Å; F289-T306 HydrophobicContact CZ-CG2 4.38Å; D302-T306 VanDerWaalsContact O-CB 3.32Å; D302-T306 WeakPolarHBondContact O-CB 3.34Å; D302-T306 PolarHBondContact O-N 3.37Å; D302-T306 PolarHBondContact O-OG1 3.47Å; A303-T306 CarbonylContact O-C 3.5Å; A303-T306 WeakPolarHBondContact O-CB 3.43Å; A303-T306 PolarHBondContact O-N 3.37Å; I304-T306 VanDerWaalsContact C-N 3.28Å; I304-T306 PolarHBondContact O-N 3.21Å; T306-M308 PolarHBondContact O-N 3.45Å; T306-A309 PolarHBondContact O-N 2.76Å; T306-L310 HydrophobicContact CG2-CD1 3.92Å; T306-L310 HydrophobicContact CG2-CG 4.18Å; T306-L310 WeakPolarHBondContact O-CB 3.18Å; T306-L310 WeakPolarHBondContact O-CG 3.27Å; T306-L310 PolarHBondContact O-N 2.92Å
307	A	98.8	Very high	98.1	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-60	-45.5	177.5	0	0	0	0	0	111.3	F289 A303 I304 A309 L310 R311 F321 L350	F289-A307 HydrophobicContact CD1-CB 3.78Å; F289-A307 HydrophobicContact CE1-CB 4.37Å; A303-A307 WeakPolarHBondContact O-CB 3.48Å; A303-A307 PolarHBondContact O-N 3.11Å; I304-A307 WeakPolarHBondContact O-CB 3.43Å; I304-A307 PolarHBondContact O-N 2.99Å; A307-A309 PolarHBondContact O-N 2.73Å; A307-L310 PolarHBondContact O-N 3.27Å; A307-R311 WeakPolarHBondContact O-CB 3.44Å; A307-R311 PolarHBondContact O-N 2.96Å; A307-F321 HydrophobicContact CB-CB 4.18Å; A307-F321 HydrophobicContact CB-CD2 3.67Å; A307-F321 HydrophobicContact CB-CE2 4.45Å; A307-F321 HydrophobicContact CB-CG 4.23Å; A307-L350 HydrophobicContact CB-CD1 4.16Å; A307-L350 HydrophobicContact CB-CD2 3.9Å
308	M	98.7	Very high	98.2	Very high	30 Å²	30	51 Å²	51	15%	0.148	28%	0.28	C	S	.	.	H	α-helix	trans	-60.3	-45.4	175.5	-68.3	172.4	56.2	0	0	111.7	I304 I305 T306 R311 A312 P343 L346 V348 L350	I304-M308 HydrophobicContact CG2-SD 4.42Å; I304-M308 WeakPolarHBondContact O-CG 3.42Å; I304-M308 PolarHBondContact O-N 3.22Å; I305-M308 PolarHBondContact O-N 3.38Å; T306-M308 PolarHBondContact O-N 3.45Å; M308-R311 PolarHBondContact O-N 2.95Å; M308-A312 PolarHBondContact O-N 3.06Å; M308-P343 HydrophobicContact CG-CG 4.3Å; M308-P343 HydrophobicContact SD-CB 4.01Å; M308-P343 HydrophobicContact SD-CG 3.83Å; M308-L346 HydrophobicContact CE-CB 4.3Å; M308-L346 HydrophobicContact CE-CD1 3.7Å; M308-L346 HydrophobicContact SD-CD1 4.41Å; M308-V348 HydrophobicContact CE-CB 3.61Å; M308-V348 HydrophobicContact CE-CG1 3.87Å; M308-V348 HydrophobicContact CE-CG2 3.5Å; M308-V348 HydrophobicContact CG-CG1 4.21Å; M308-L350 HydrophobicContact CG-CD2 4.28Å
309	A	98.4	Very high	98.3	Very high	61 Å²	61	47.9 Å²	47.9	50%	0.504	26%	0.259	S	S	.	.	H	α-helix	trans	-66.2	-42.3	179.1	0	0	0	0	0	112.6	I305 T306 A307 A312 R313	I305-A309 PolarHBondContact O-N 2.88Å; T306-A309 PolarHBondContact O-N 2.76Å; A307-A309 PolarHBondContact O-N 2.73Å; A309-A312 PolarHBondContact O-N 2.91Å; A309-R313 PolarHBondContact O-N 3.44Å
310	L	98.6	Very high	98.3	Very high	4 Å²	4	43.8 Å²	43.8	2%	0.021	24%	0.24	C	C	.	.	H	α-helix	trans	-65.3	-40.8	175.6	-70.8	176.4	0	0	0	111.1	L248 K261 M265 F289 T306 A307 A312 R313 F314 L318	L248-L310 HydrophobicContact CD1-CD1 3.96Å; K261-L310 HydrophobicContact CB-CD1 4.23Å; K261-L310 HydrophobicContact CB-CD2 4.45Å; M265-L310 HydrophobicContact CG-CD1 4.36Å; M265-L310 HydrophobicContact CG-CD2 4.18Å; F289-L310 HydrophobicContact CD1-CD1 4.44Å; F289-L310 HydrophobicContact CG-CD1 4.39Å; T306-L310 HydrophobicContact CG2-CD1 3.92Å; T306-L310 HydrophobicContact CG2-CG 4.18Å; T306-L310 WeakPolarHBondContact O-CB 3.18Å; T306-L310 WeakPolarHBondContact O-CG 3.27Å; T306-L310 PolarHBondContact O-N 2.92Å; A307-L310 PolarHBondContact O-N 3.27Å; L310-A312 PolarHBondContact O-N 3.06Å; L310-R313 PolarHBondContact O-N 3.05Å; L310-R313 VanDerWaalsContact O-N 3.15Å; L310-F314 HydrophobicContact CD2-CE2 4.35Å; L310-F314 WeakPolarHBondContact O-CD2 3.46Å; L310-F314 PolarHBondContact O-N 3.08Å; L310-L318 HydrophobicContact CB-CD2 3.69Å
311	R	98.1	Very high	98.3	Very high	59 Å²	59	43.8 Å²	43.8	22%	0.223	24%	0.24	C	C	.	.	H	α-helix	trans	-61.8	-43.5	176.4	-168.5	173.1	174.8	82.5	-3.7	111.6	A307 M308 R313 F314 P315 L318 A319 N349	A307-R311 WeakPolarHBondContact O-CB 3.44Å; A307-R311 PolarHBondContact O-N 2.96Å; M308-R311 PolarHBondContact O-N 2.95Å; R311-R313 PolarHBondContact O-N 3.42Å; R311-F314 CarbonylContact O-C 3.37Å; R311-F314 PolarHBondContact O-N 3.36Å; R311-P315 WeakPolarHBondContact O-CA 3.11Å; R311-P315 VanDerWaalsContact O-N 3.07Å; R311-L318 HydrophobicContact CB-CD2 3.89Å; R311-L318 PolarHBondContact NH1-O 3.26Å; R311-A319 VanDerWaalsContact NH1-C 3.33Å; R311-A319 PolarHBondContact NH1-O 3.32Å; R311-N349 PolarHBondContact NE-O 3.13Å
312	A	98.1	Very high	98.3	Very high	85 Å²	85	40 Å²	40	70%	0.702	22%	0.224	S	C	*	.	H	α-helix	trans	-60.9	-33.3	176.5	0	0	0	0	0	112.4	M308 A309 L310	M308-A312 PolarHBondContact O-N 3.06Å; A309-A312 PolarHBondContact O-N 2.91Å; L310-A312 PolarHBondContact O-N 3.06Å
313	R	98.2	Very high	98.4	Very high	158 Å²	158	35.9 Å²	35.9	60%	0.596	20%	0.201	S	C	*	.	H	α-helix	trans	-83.4	-30.9	179.1	-173.1	174.2	177.2	169.2	4.8	113.8	S262 A309 L310 R311 P315	S262-R313 PolarHBondContact OG-NH1 3.32Å; S262-R313 VanDerWaalsContact OG-NH1 3.08Å; A309-R313 PolarHBondContact O-N 3.44Å; L310-R313 PolarHBondContact O-N 3.05Å; L310-R313 VanDerWaalsContact O-N 3.15Å; R311-R313 PolarHBondContact O-N 3.42Å; R313-P315 VanDerWaalsContact C-CD 3.47Å
314	F	98.4	Very high	98.4	Very high	15 Å²	15	35.8 Å²	35.8	7%	0.066	20%	0.2	C	C	.	.	S	Bend	trans	-130.1	58.4	-175.8	-57.5	-81.2	0	0	0	111.3	S262 M265 A266 L310 R311 D316 F317 L318	S262-F314 WeakPolarHBondContact O-CZ 3.3Å; M265-F314 HydrophobicContact CB-CD2 3.87Å; M265-F314 HydrophobicContact CB-CE1 4.38Å; M265-F314 HydrophobicContact CB-CE2 3.58Å; M265-F314 HydrophobicContact CB-CG 4.38Å; M265-F314 HydrophobicContact CB-CZ 3.86Å; M265-F314 HydrophobicContact CE-CB 4.25Å; M265-F314 HydrophobicContact CE-CD2 4.43Å; M265-F314 HydrophobicContact CE-CG 4.4Å; M265-F314 HydrophobicContact CG-CD2 4.38Å; M265-F314 HydrophobicContact CG-CE2 4.37Å; A266-F314 HydrophobicContact CB-CE1 4.2Å; A266-F314 HydrophobicContact CB-CZ 4.16Å; L310-F314 HydrophobicContact CD2-CE2 4.35Å; L310-F314 WeakPolarHBondContact O-CD2 3.46Å; L310-F314 PolarHBondContact O-N 3.08Å; R311-F314 CarbonylContact O-C 3.37Å; R311-F314 PolarHBondContact O-N 3.36Å; F314-D316 VanDerWaalsContact C-N 3.28Å; F314-D316 PolarHBondContact O-N 3.03Å; F314-F317 HydrophobicContact CB-CB 4.38Å; F314-F317 PolarHBondContact O-N 3.27Å; F314-F317 VanDerWaalsContact O-N 3.11Å; F314-L318 PolarHBondContact O-N 3.24Å
315	P	96.9	Very high	98.3	Very high	76 Å²	76	36.5 Å²	36.5	49%	0.494	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-33.9	-167.8	24.3	-35.1	0	0	0	113.6	R311 R313	R311-P315 WeakPolarHBondContact O-CA 3.11Å; R311-P315 VanDerWaalsContact O-N 3.07Å; R313-P315 VanDerWaalsContact C-CD 3.47Å
316	D	95.8	Very high	98.3	Very high	98 Å²	98	32.6 Å²	32.6	52%	0.524	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.3	-4.7	-177.3	-51.8	-35.6	0	0	0	113	K286 F314	K286-D316 PolarHBondContact NZ-O 2.83Å; F314-D316 VanDerWaalsContact C-N 3.28Å; F314-D316 PolarHBondContact O-N 3.03Å
317	F	98.4	Very high	98.2	Very high	11 Å²	11	30.5 Å²	30.5	5%	0.048	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-121.2	-31.3	-173.5	-166.2	-107.1	0	0	0	113.7	M265 Q269 T272 A285 K286 I287 F314	M265-F317 HydrophobicContact CE-CD1 3.8Å; M265-F317 HydrophobicContact CE-CE1 4.35Å; Q269-F317 VanDerWaalsContact CA-CZ 3.47Å; Q269-F317 HydrophobicContact CB-CD1 3.83Å; Q269-F317 HydrophobicContact CB-CD2 4.29Å; Q269-F317 HydrophobicContact CB-CE1 3.81Å; Q269-F317 HydrophobicContact CB-CE2 4.25Å; Q269-F317 HydrophobicContact CB-CG 4.09Å; Q269-F317 HydrophobicContact CB-CZ 4.03Å; Q269-F317 HydrophobicContact CG-CD1 4.28Å; Q269-F317 HydrophobicContact CG-CD2 4.03Å; Q269-F317 HydrophobicContact CG-CE2 4.31Å; Q269-F317 HydrophobicContact CG-CG 4.01Å; T272-F317 HydrophobicContact CG2-CE2 4.27Å; A285-F317 WeakPolarHBondContact O-CD2 3.35Å; A285-F317 WeakPolarHBondContact O-CE2 3.46Å; K286-F317 WeakPolarHBondContact CA-O 3.4Å; K286-F317 WeakPolarHBondContact CB-O 3.46Å; I287-F317 HydrophobicContact CG1-CD1 4.27Å; I287-F317 HydrophobicContact CG1-CE1 3.6Å; I287-F317 HydrophobicContact CG1-CZ 4.09Å; I287-F317 PolarHBondContact N-O 3.18Å; F314-F317 HydrophobicContact CB-CB 4.38Å; F314-F317 PolarHBondContact O-N 3.27Å; F314-F317 VanDerWaalsContact O-N 3.11Å
318	L	98.6	Very high	98.2	Very high	1 Å²	1	32.5 Å²	32.5	1%	0.005	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	104.2	169.8	-170.9	75.6	0	0	0	110.3	M265 I287 F289 L310 R311 F314 G320	M265-L318 HydrophobicContact CE-CB 3.8Å; M265-L318 HydrophobicContact CE-CD1 3.7Å; M265-L318 HydrophobicContact CE-CG 4.32Å; M265-L318 HydrophobicContact SD-CD1 4.1Å; I287-L318 HydrophobicContact CB-CD1 4.29Å; I287-L318 HydrophobicContact CG2-CD1 4.16Å; I287-L318 CarbonylContact O-C 3.55Å; I287-L318 WeakPolarHBondContact O-CA 3.45Å; I287-L318 WeakPolarHBondContact O-CD1 3.24Å; F289-L318 HydrophobicContact CB-CD1 3.78Å; L310-L318 HydrophobicContact CB-CD2 3.69Å; R311-L318 HydrophobicContact CB-CD2 3.89Å; R311-L318 PolarHBondContact NH1-O 3.26Å; F314-L318 PolarHBondContact O-N 3.24Å; L318-G320 PolarHBondContact O-N 3.1Å
319	A	98.8	Very high	98.1	Very high	7 Å²	7	35.8 Å²	35.8	6%	0.058	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.9	-40.2	-179.9	0	0	0	0	0	112.6	K286 I287 I288 R311 F353 A483	K286-A319 HydrophobicContact CB-CB 4.24Å; K286-A319 HydrophobicContact CD-CB 4.5Å; I287-A319 PolarHBondContact O-N 3.03Å; I288-A319 HydrophobicContact CG1-CB 3.88Å; R311-A319 VanDerWaalsContact NH1-C 3.33Å; R311-A319 PolarHBondContact NH1-O 3.32Å; A319-F353 HydrophobicContact CB-CE2 4.02Å; A319-F353 HydrophobicContact CB-CZ 4.2Å; A319-A483 HydrophobicContact CB-CB 3.67Å
320	G	98.7	Very high	97.9	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	167.7	-148.3	-177.7	0	0	0	0	0	113.4	F289 L318 P351	F289-G320 PolarHBondContact N-O 3.36Å; L318-G320 PolarHBondContact O-N 3.1Å; G320-P351 CarbonylContact C-O 3.58Å; G320-P351 WeakPolarHBondContact CA-O 3.29Å
321	F	98.9	Very high	97.9	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	152.4	-176.4	-176.3	-93.8	0	0	0	113.1	F289 A291 A303 I304 A307 L323 L340 L350 P351 Y352 F353	F289-F321 AromaticContact CD1-CD2 3.75Å; F289-F321 HydrophobicContact CD1-CD2 3.75Å; F289-F321 AromaticContact CD1-CE2 3.93Å; F289-F321 HydrophobicContact CD1-CE2 3.93Å; F289-F321 HydrophobicContact CE1-CD2 4.25Å; F289-F321 AromaticContact CE1-CE2 3.96Å; F289-F321 HydrophobicContact CE1-CE2 3.96Å; F289-F321 HydrophobicContact CG-CD2 4.42Å; F289-F321 CarbonylContact O-C 3.6Å; F289-F321 VanDerWaalsContact O-CA 3.23Å; F289-F321 WeakPolarHBondContact O-CA 3.4Å; F289-F321 WeakPolarHBondContact O-CD2 3.39Å; A291-F321 HydrophobicContact CB-CE2 4.15Å; A291-F321 HydrophobicContact CB-CZ 3.75Å; A303-F321 HydrophobicContact CB-CE2 4.07Å; A303-F321 HydrophobicContact CB-CZ 4.21Å; I304-F321 HydrophobicContact CD1-CD1 3.5Å; I304-F321 VanDerWaalsContact CD1-CD1 3.5Å; I304-F321 HydrophobicContact CD1-CD2 4.37Å; I304-F321 HydrophobicContact CD1-CE1 3.43Å; I304-F321 VanDerWaalsContact CD1-CE1 3.43Å; I304-F321 HydrophobicContact CD1-CE2 4.31Å; I304-F321 HydrophobicContact CD1-CG 3.97Å; I304-F321 HydrophobicContact CD1-CZ 3.85Å; I304-F321 HydrophobicContact CG1-CE1 4.41Å; I304-F321 HydrophobicContact CG1-CZ 4.5Å; A307-F321 HydrophobicContact CB-CB 4.18Å; A307-F321 HydrophobicContact CB-CD2 3.67Å; A307-F321 HydrophobicContact CB-CE2 4.45Å; A307-F321 HydrophobicContact CB-CG 4.23Å; F321-L323 HydrophobicContact CE1-CD2 3.97Å; F321-L323 HydrophobicContact CE1-CG 4Å; F321-L323 HydrophobicContact CZ-CD2 4.13Å; F321-L340 HydrophobicContact CE1-CD2 4.45Å; F321-L350 HydrophobicContact CB-CD1 4.35Å; F321-L350 HydrophobicContact CB-CD2 4.02Å; F321-L350 HydrophobicContact CB-CG 4.27Å; F321-P351 PolarHBondContact N-O 3.24Å; F321-Y352 HydrophobicContact CB-CD1 3.91Å; F321-Y352 HydrophobicContact CB-CE1 3.95Å; F321-Y352 AromaticContact CD1-CD1 3.95Å; F321-Y352 HydrophobicContact CD1-CD1 3.95Å; F321-Y352 AromaticContact CD1-CE1 3.74Å; F321-Y352 HydrophobicContact CD1-CE1 3.74Å; F321-Y352 HydrophobicContact CG-CD1 4.42Å; F321-Y352 HydrophobicContact CG-CE1 4.24Å; F321-Y352 WeakPolarHBondContact O-CA 3.28Å; F321-F353 PolarHBondContact O-N 3.33Å
322	D	98.9	Very high	97.9	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	160.9	177.2	-174	14.5	0	0	0	111.4	R245 I288 F289 T290 A291 F353 F354 H355	R245-D322 HydrophobicContact CG-CB 4.46Å; R245-D322 WeakPolarHBondContact CG-OD2 3.49Å; R245-D322 IonicContact NE-OD2 2.89Å; R245-D322 PolarHBondContact NE-OD2 3.41Å; I288-D322 HydrophobicContact CG2-CB 3.62Å; F289-D322 PolarHBondContact O-N 2.92Å; T290-D322 VanDerWaalsContact CA-O 3.27Å; T290-D322 WeakPolarHBondContact CA-O 3.29Å; T290-D322 HydrophobicContact CG2-CB 3.94Å; A291-D322 PolarHBondContact N-O 3.08Å; D322-F353 VanDerWaalsContact OD1-O 3.14Å; D322-F354 WeakPolarHBondContact OD1-CA 3.38Å; D322-H355 PolarHBondContact OD1-N 2.63Å; D322-H355 IonicContact OD1-ND1 3.88Å; D322-H355 PolarHBondContact OD1-ND1 3.38Å; D322-H355 IonicContact OD2-CE1 2.79Å; D322-H355 PolarHBondContact OD2-CE1 3.28Å; D322-H355 VanDerWaalsContact OD2-CE1 3.25Å; D322-H355 IonicContact OD2-ND1 3.18Å; D322-H355 PolarHBondContact OD2-ND1 3.42Å
323	L	98.9	Very high	97.9	Very high	2 Å²	2	29.7 Å²	29.7	1%	0.01	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	127.1	172.7	-72.5	169.9	0	0	0	109.1	A291 R293 I300 F321 L333 L336 L340 F354	A291-L323 HydrophobicContact CB-CD2 4.15Å; A291-L323 WeakPolarHBondContact O-CA 3.25Å; R293-L323 HydrophobicContact CB-CB 4.33Å; I300-L323 HydrophobicContact CD1-CD2 3.79Å; I300-L323 HydrophobicContact CG2-CD2 4.49Å; F321-L323 HydrophobicContact CE1-CD2 3.97Å; F321-L323 HydrophobicContact CE1-CG 4Å; F321-L323 HydrophobicContact CZ-CD2 4.13Å; L323-L333 HydrophobicContact CD1-CD2 3.7Å; L323-L336 HydrophobicContact CD1-CD1 3.53Å; L323-L336 HydrophobicContact CD2-CD1 4.44Å; L323-L340 HydrophobicContact CD1-CD1 4.24Å; L323-L340 HydrophobicContact CD1-CD2 4.19Å; L323-F354 HydrophobicContact CD1-CE1 4.21Å; L323-F354 HydrophobicContact CG-CE1 4.36Å
324	V	98.6	Very high	97.9	Very high	8 Å²	8	29 Å²	29	5%	0.048	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	170.7	-174.5	-60.1	0	0	0	0	111.7	R245 L247 T290 A291 H292 R293	R245-V324 HydrophobicContact CG-CG1 4.42Å; L247-V324 HydrophobicContact CD2-CG2 4.44Å; T290-V324 HydrophobicContact CG2-CG1 3.81Å; A291-V324 PolarHBondContact O-N 3.09Å; H292-V324 CarbonylContact C-O 3.52Å; H292-V324 WeakPolarHBondContact CA-O 3.34Å; R293-V324 WeakPolarHBondContact CG-O 3.47Å; R293-V324 PolarHBondContact N-O 3Å
325	G	97.4	Very high	97.9	Very high	15 Å²	15	33.4 Å²	33.4	16%	0.155	17%	0.173	C	C	.	.	S	Bend	trans	102.6	171.6	-178.3	0	0	0	0	0	112.2	H292 R293 E327	H292-G325 WeakPolarHBondContact NE2-CA 3.41Å; R293-G325 VanDerWaalsContact CD-O 3.29Å; R293-G325 WeakPolarHBondContact CD-O 3.45Å; G325-E327 PolarHBondContact O-N 3.46Å
326	N	97.7	Very high	98	Very high	9 Å²	9	29.9 Å²	29.9	5%	0.048	15%	0.15	C	C	.	.			trans	-54.1	111.2	-174.4	-175.5	-3.3	0	0	0	111.8	W203 M294 D328 E329 G330	W203-N326 HydrophobicContact CB-CB 4.48Å; W203-N326 HydrophobicContact CD2-CB 3.63Å; W203-N326 HydrophobicContact CE3-CB 3.71Å; W203-N326 HydrophobicContact CG-CB 3.99Å; W203-N326 HydrophobicContact CZ2-CB 4.5Å; W203-N326 HydrophobicContact CZ3-CB 4.2Å; M294-N326 HydrophobicContact CE-CB 4.15Å; N326-D328 PolarHBondContact O-N 3.13Å; N326-D328 PolarHBondContact OD1-N 3.14Å; N326-D328 VanDerWaalsContact OD1-N 3.17Å; N326-E329 PolarHBondContact O-N 2.98Å; N326-G330 PolarHBondContact O-N 3.37Å; N326-G330 VanDerWaalsContact O-N 3.1Å
327	E	98.4	Very high	98.1	Very high	2 Å²	2	28.3 Å²	28.3	1%	0.009	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-34	-174.8	172.9	144.1	-119.1	0	0	112.9	R293 G325 E329 A356 G357 E358 V366 N369	R293-E327 IonicContact CZ-OE1 3.07Å; R293-E327 IonicContact NH1-OE1 3.94Å; R293-E327 PolarHBondContact NH1-OE1 3.47Å; R293-E327 IonicContact NH2-OE1 2.93Å; R293-E327 PolarHBondContact NH2-OE1 2.98Å; G325-E327 PolarHBondContact O-N 3.46Å; E327-E329 PolarHBondContact O-N 3.04Å; E327-A356 VanDerWaalsContact OE2-C 3.29Å; E327-A356 WeakPolarHBondContact OE2-CA 3.5Å; E327-G357 PolarHBondContact OE2-N 3.23Å; E327-E358 PolarHBondContact OE2-N 3.49Å; E327-V366 HydrophobicContact CB-CG1 4.37Å; E327-V366 HydrophobicContact CG-CG1 3.28Å; E327-N369 PolarHBondContact OE1-ND2 2.82Å
328	D	98	Very high	98	Very high	42 Å²	42	32.9 Å²	32.9	23%	0.225	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-30.1	-179.8	-88.3	7.5	0	0	0	113.4	N326 T359 W361 V366	N326-D328 PolarHBondContact O-N 3.13Å; N326-D328 PolarHBondContact OD1-N 3.14Å; N326-D328 VanDerWaalsContact OD1-N 3.17Å; D328-T359 VanDerWaalsContact OD1-CB 3.24Å; D328-T359 WeakPolarHBondContact OD1-CB 3.37Å; D328-T359 PolarHBondContact OD1-OG1 3.01Å; D328-W361 PolarHBondContact OD2-NE1 3.43Å; D328-V366 WeakPolarHBondContact OD1-CG1 3.45Å
329	E	95.8	Very high	98	Very high	98 Å²	98	32.8 Å²	32.8	46%	0.458	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	-104.9	-10.9	-175.7	-67.8	-173.4	-170.2	0	0	113.4	T200 M294 N326 E327	T200-E329 WeakPolarHBondContact CB-OE1 3.48Å; T200-E329 WeakPolarHBondContact CG2-OE1 3.29Å; T200-E329 PolarHBondContact OG1-OE1 3.48Å; M294-E329 HydrophobicContact CE-CB 3.59Å; N326-E329 PolarHBondContact O-N 2.98Å; E327-E329 PolarHBondContact O-N 3.04Å
330	G	95.3	Very high	98	Very high	19 Å²	19	32.5 Å²	32.5	20%	0.196	16%	0.16	C	C	.	.	S	Bend	trans	-93.8	-178.9	-175.8	0	0	0	0	0	115.4	N326	N326-G330 PolarHBondContact O-N 3.37Å; N326-G330 VanDerWaalsContact O-N 3.1Å
331	H	97.9	Very high	98	Very high	56 Å²	56	34.6 Å²	34.6	26%	0.259	17%	0.173	S	C	.	.			trans	-68.1	139.5	172.6	-67.7	-57.4	0	0	0	111.5	R293 L295 E335 L336	R293-H331 PolarHBondContact NE-O 3.24Å; R293-H331 PolarHBondContact NH2-O 2.85Å; R293-H331 WeakPolarHBondContact O-CB 3.23Å; R293-H331 PolarHBondContact O-CD2 3.27Å; R293-H331 PolarHBondContact O-N 3.1Å; R293-H331 VanDerWaalsContact O-N 3.13Å; L295-H331 PolarHBondContact O-CD2 3.26Å; L295-H331 VanDerWaalsContact O-CD2 3.32Å; H331-E335 IonicContact ND1-OE2 3.67Å; H331-L336 HydrophobicContact CB-CD1 3.85Å; H331-L336 HydrophobicContact CB-CD2 4.08Å; H331-L336 HydrophobicContact CB-CG 3.85Å
332	S	98.4	Very high	97.9	Very high	7 Å²	7	36.4 Å²	36.4	5%	0.049	18%	0.182	C	C	.	.			trans	-71.6	158.2	167.3	62.7	0	0	0	0	111.5	W334 E335 L336 N369	S332-W334 PolarHBondContact O-N 2.87Å; S332-E335 PolarHBondContact N-OE2 3.44Å; S332-E335 PolarHBondContact O-N 3.37Å; S332-E335 VanDerWaalsContact OG-CD 3.3Å; S332-E335 WeakPolarHBondContact OG-CG 3.47Å; S332-E335 PolarHBondContact OG-N 2.99Å; S332-E335 PolarHBondContact OG-OE2 3.27Å; S332-L336 PolarHBondContact O-N 3.33Å; S332-N369 WeakPolarHBondContact CA-OD1 3.34Å; S332-N369 WeakPolarHBondContact CB-OD1 3.46Å
333	L	98.7	Very high	97.9	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-35.5	174.2	-61.9	-176.7	0	0	0	111.2	L323 E335 L336 K337 L340 F354 N369 D372 A373 L376	L323-L333 HydrophobicContact CD1-CD2 3.7Å; L333-E335 PolarHBondContact O-N 2.92Å; L333-L336 CarbonylContact O-C 3.59Å; L333-L336 PolarHBondContact O-N 2.84Å; L333-L336 VanDerWaalsContact O-N 3.16Å; L333-K337 PolarHBondContact O-N 3.41Å; L333-L340 HydrophobicContact CB-CD1 4.38Å; L333-L340 HydrophobicContact CD2-CD1 4.01Å; L333-F354 HydrophobicContact CD1-CB 4.12Å; L333-F354 HydrophobicContact CD1-CD1 4.49Å; L333-F354 HydrophobicContact CD1-CD2 4.04Å; L333-F354 HydrophobicContact CD1-CG 3.98Å; L333-F354 HydrophobicContact CD2-CD1 3.79Å; L333-F354 HydrophobicContact CD2-CE1 4.02Å; L333-F354 HydrophobicContact CD2-CG 4.11Å; L333-N369 HydrophobicContact CD1-CB 4.08Å; L333-N369 HydrophobicContact CG-CB 4.13Å; L333-N369 PolarHBondContact N-OD1 3.05Å; L333-D372 HydrophobicContact CB-CB 3.82Å; L333-D372 HydrophobicContact CD1-CB 4.28Å; L333-A373 HydrophobicContact CD1-CB 3.79Å; L333-L376 HydrophobicContact CB-CD1 4.32Å
334	W	98.2	Very high	97.8	Very high	142 Å²	142	40.2 Å²	40.2	54%	0.538	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-37.9	177.7	-173.3	-108.6	0	0	0	113.9	S332 L336 K337 D372	S332-W334 PolarHBondContact O-N 2.87Å; W334-L336 VanDerWaalsContact C-N 3.26Å; W334-L336 PolarHBondContact O-N 3.47Å; W334-K337 HydrophobicContact CD2-CD 4.08Å; W334-K337 HydrophobicContact CE3-CD 4.05Å; W334-K337 HydrophobicContact CH2-CD 4.03Å; W334-K337 HydrophobicContact CZ2-CD 4.06Å; W334-K337 HydrophobicContact CZ3-CD 4.02Å; W334-K337 WeakPolarHBondContact O-CB 3.47Å; W334-K337 VanDerWaalsContact O-CG 3.26Å; W334-K337 WeakPolarHBondContact O-CG 3.48Å; W334-K337 PolarHBondContact O-N 2.94Å; W334-K337 PolarHBondContact O-NZ 3.16Å; W334-D372 WeakPolarHBondContact CB-OD2 3.43Å
335	E	98.1	Very high	97.7	Very high	109 Å²	109	44.6 Å²	44.6	51%	0.509	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-32.6	174.3	-73.9	167.1	129.2	0	0	111.5	H331 S332 L333	H331-E335 IonicContact ND1-OE2 3.67Å; S332-E335 PolarHBondContact N-OE2 3.44Å; S332-E335 PolarHBondContact O-N 3.37Å; S332-E335 VanDerWaalsContact OG-CD 3.3Å; S332-E335 WeakPolarHBondContact OG-CG 3.47Å; S332-E335 PolarHBondContact OG-N 2.99Å; S332-E335 PolarHBondContact OG-OE2 3.27Å; L333-E335 PolarHBondContact O-N 2.92Å
336	L	98.4	Very high	97.7	Very high	1 Å²	1	49.4 Å²	49.4	1%	0.005	25%	0.25	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.2	1	-179.5	-60.7	177.4	0	0	0	113.8	V297 I300 L323 H331 S332 L333 W334 D338 A339 L340	V297-L336 HydrophobicContact CG2-CD2 4.11Å; I300-L336 HydrophobicContact CB-CD2 4.46Å; I300-L336 HydrophobicContact CG1-CD1 4.46Å; I300-L336 HydrophobicContact CG1-CD2 4.21Å; I300-L336 HydrophobicContact CG2-CD1 4.4Å; I300-L336 HydrophobicContact CG2-CD2 4.39Å; L323-L336 HydrophobicContact CD1-CD1 3.53Å; L323-L336 HydrophobicContact CD2-CD1 4.44Å; H331-L336 HydrophobicContact CB-CD1 3.85Å; H331-L336 HydrophobicContact CB-CD2 4.08Å; H331-L336 HydrophobicContact CB-CG 3.85Å; S332-L336 PolarHBondContact O-N 3.33Å; L333-L336 CarbonylContact O-C 3.59Å; L333-L336 PolarHBondContact O-N 2.84Å; L333-L336 VanDerWaalsContact O-N 3.16Å; W334-L336 VanDerWaalsContact C-N 3.26Å; W334-L336 PolarHBondContact O-N 3.47Å; L336-D338 PolarHBondContact O-N 3.02Å; L336-A339 WeakPolarHBondContact O-CA 3.35Å; L336-A339 WeakPolarHBondContact O-CB 3.49Å; L336-A339 PolarHBondContact O-N 3.4Å; L336-L340 HydrophobicContact CB-CD1 3.89Å; L336-L340 HydrophobicContact CB-CG 4.07Å; L336-L340 WeakPolarHBondContact O-CG 3.31Å; L336-L340 PolarHBondContact O-N 2.89Å
337	K	97.5	Very high	97.7	Very high	65 Å²	65	52.4 Å²	52.4	28%	0.283	28%	0.283	S	S	.	.	H	α-helix	trans	-51.3	-37.8	-172.9	71.6	-179.6	163.3	-79.1	0	114	L333 W334 A339 L340 T341	L333-K337 PolarHBondContact O-N 3.41Å; W334-K337 HydrophobicContact CD2-CD 4.08Å; W334-K337 HydrophobicContact CE3-CD 4.05Å; W334-K337 HydrophobicContact CH2-CD 4.03Å; W334-K337 HydrophobicContact CZ2-CD 4.06Å; W334-K337 HydrophobicContact CZ3-CD 4.02Å; W334-K337 WeakPolarHBondContact O-CB 3.47Å; W334-K337 VanDerWaalsContact O-CG 3.26Å; W334-K337 WeakPolarHBondContact O-CG 3.48Å; W334-K337 PolarHBondContact O-N 2.94Å; W334-K337 PolarHBondContact O-NZ 3.16Å; K337-A339 VanDerWaalsContact C-N 3.28Å; K337-A339 PolarHBondContact O-N 2.89Å; K337-L340 PolarHBondContact O-N 3.14Å; K337-T341 WeakPolarHBondContact O-CB 3.31Å; K337-T341 VanDerWaalsContact O-CG2 3.23Å; K337-T341 WeakPolarHBondContact O-CG2 3.32Å; K337-T341 PolarHBondContact O-N 2.68Å; K337-T341 PolarHBondContact O-OG1 3.43Å
338	D	96.9	Very high	97.6	Very high	107 Å²	107	55 Å²	55	57%	0.572	30%	0.299	S	S	*	.	H	α-helix	trans	-68.1	-30.9	-178.8	-66.9	-9.7	0	0	0	111.7	L336 I342	L336-D338 PolarHBondContact O-N 3.02Å; D338-I342 WeakPolarHBondContact O-CG1 3.22Å
339	A	98.3	Very high	97.5	Very high	0 Å²	0	58.8 Å²	58.8	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-77.9	-44.3	172.7	0	0	0	0	0	111	I300 K301 L336 K337 T341 I342	I300-A339 HydrophobicContact CG2-CB 4.04Å; K301-A339 HydrophobicContact CG-CB 3.49Å; K301-A339 VanDerWaalsContact CG-CB 3.49Å; L336-A339 WeakPolarHBondContact O-CA 3.35Å; L336-A339 WeakPolarHBondContact O-CB 3.49Å; L336-A339 PolarHBondContact O-N 3.4Å; K337-A339 VanDerWaalsContact C-N 3.28Å; K337-A339 PolarHBondContact O-N 2.89Å; A339-T341 VanDerWaalsContact C-N 3.25Å; A339-T341 PolarHBondContact O-N 2.88Å; A339-I342 WeakPolarHBondContact O-CB 3.42Å; A339-I342 VanDerWaalsContact O-CG1 3.31Å; A339-I342 WeakPolarHBondContact O-CG1 3.27Å; A339-I342 PolarHBondContact O-N 3.13Å
340	L	98.6	Very high	97.6	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-70.4	-19.5	-175.8	-60.7	177.1	0	0	0	113.3	I304 F321 L323 L333 L336 K337 P343 Y352 F354 L376	I304-L340 HydrophobicContact CD1-CD2 3.85Å; I304-L340 HydrophobicContact CG1-CD2 4.33Å; F321-L340 HydrophobicContact CE1-CD2 4.45Å; L323-L340 HydrophobicContact CD1-CD1 4.24Å; L323-L340 HydrophobicContact CD1-CD2 4.19Å; L333-L340 HydrophobicContact CB-CD1 4.38Å; L333-L340 HydrophobicContact CD2-CD1 4.01Å; L336-L340 HydrophobicContact CB-CD1 3.89Å; L336-L340 HydrophobicContact CB-CG 4.07Å; L336-L340 WeakPolarHBondContact O-CG 3.31Å; L336-L340 PolarHBondContact O-N 2.89Å; K337-L340 PolarHBondContact O-N 3.14Å; L340-P343 WeakPolarHBondContact O-CD 3.09Å; L340-Y352 PolarHBondContact O-OH 3.49Å; L340-F354 HydrophobicContact CD1-CE1 4.29Å; L340-F354 HydrophobicContact CD1-CZ 4.01Å; L340-F354 HydrophobicContact CD2-CE1 4.15Å; L340-F354 HydrophobicContact CD2-CZ 4.07Å; L340-F354 HydrophobicContact CG-CZ 4.5Å; L340-L376 HydrophobicContact CB-CD1 4.16Å; L340-L376 HydrophobicContact CB-CD2 4.25Å; L340-L376 HydrophobicContact CD1-CD1 3.68Å
341	T	98.2	Very high	97.7	Very high	45 Å²	45	54.3 Å²	54.3	28%	0.276	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.1	0.3	177.1	56.1	0	0	0	0	114	K337 A339 Y344 S345 L376	K337-T341 WeakPolarHBondContact O-CB 3.31Å; K337-T341 VanDerWaalsContact O-CG2 3.23Å; K337-T341 WeakPolarHBondContact O-CG2 3.32Å; K337-T341 PolarHBondContact O-N 2.68Å; K337-T341 PolarHBondContact O-OG1 3.43Å; A339-T341 VanDerWaalsContact C-N 3.25Å; A339-T341 PolarHBondContact O-N 2.88Å; T341-Y344 HydrophobicContact CG2-CD2 4.05Å; T341-Y344 HydrophobicContact CG2-CE2 4.34Å; T341-Y344 PolarHBondContact O-N 2.95Å; T341-S345 PolarHBondContact O-N 3.43Å; T341-S345 VanDerWaalsContact O-N 3.14Å; T341-S345 PolarHBondContact O-OG 3.37Å; T341-L376 HydrophobicContact CG2-CD2 3.91Å
342	I	98.6	Very high	97.8	Very high	37 Å²	37	51.7 Å²	51.7	19%	0.19	28%	0.283	C	S	.	.	H	α-helix	trans	-54.2	-47.4	174.6	-69.2	171.6	0	0	0	112.1	K301 I304 D338 A339 Y344 S345 L346	K301-I342 HydrophobicContact CB-CD1 4.21Å; K301-I342 HydrophobicContact CD-CD1 4.34Å; K301-I342 HydrophobicContact CG-CD1 3.85Å; I304-I342 HydrophobicContact CG2-CB 4.29Å; D338-I342 WeakPolarHBondContact O-CG1 3.22Å; A339-I342 WeakPolarHBondContact O-CB 3.42Å; A339-I342 VanDerWaalsContact O-CG1 3.31Å; A339-I342 WeakPolarHBondContact O-CG1 3.27Å; A339-I342 PolarHBondContact O-N 3.13Å; I342-Y344 VanDerWaalsContact C-N 3.3Å; I342-Y344 PolarHBondContact O-N 3.5Å; I342-S345 PolarHBondContact O-N 3.43Å; I342-S345 VanDerWaalsContact O-N 3.16Å; I342-L346 HydrophobicContact CG2-CD1 3.8Å; I342-L346 HydrophobicContact CG2-CG 4.39Å; I342-L346 WeakPolarHBondContact O-CG 3.15Å; I342-L346 PolarHBondContact O-N 2.81Å; I342-L346 VanDerWaalsContact O-N 3.11Å
343	P	98.4	Very high	97.8	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-58.6	-41.3	-179.3	-24.1	35	0	0	0	112.4	I304 M308 L340 S345 L346 G347 V348 L350	I304-P343 HydrophobicContact CG2-CG 3.73Å; M308-P343 HydrophobicContact CG-CG 4.3Å; M308-P343 HydrophobicContact SD-CB 4.01Å; M308-P343 HydrophobicContact SD-CG 3.83Å; L340-P343 WeakPolarHBondContact O-CD 3.09Å; P343-S345 PolarHBondContact O-N 2.96Å; P343-L346 CarbonylContact O-C 3.59Å; P343-L346 PolarHBondContact O-N 3.48Å; P343-L346 VanDerWaalsContact O-N 3.16Å; P343-G347 PolarHBondContact O-N 2.81Å; P343-G347 VanDerWaalsContact O-N 3.07Å; P343-V348 CarbonylContact C-O 3.56Å; P343-V348 HydrophobicContact CB-CB 4.45Å; P343-V348 VanDerWaalsContact CB-O 3.3Å; P343-V348 WeakPolarHBondContact CB-O 3.34Å; P343-V348 PolarHBondContact O-N 3.49Å; P343-L350 HydrophobicContact CB-CB 3.93Å; P343-L350 HydrophobicContact CG-CB 3.98Å; P343-L350 HydrophobicContact CG-CD2 3.89Å
344	Y	96.4	Very high	97.8	Very high	83 Å²	83	51.5 Å²	51.5	33%	0.325	28%	0.281	S	S	.	.	H	α-helix	trans	-63.2	-42.6	177.7	-53.4	-39.7	0	0	0	112.4	T341 I342 L346 G347 L376	T341-Y344 HydrophobicContact CG2-CD2 4.05Å; T341-Y344 HydrophobicContact CG2-CE2 4.34Å; T341-Y344 PolarHBondContact O-N 2.95Å; I342-Y344 VanDerWaalsContact C-N 3.3Å; I342-Y344 PolarHBondContact O-N 3.5Å; Y344-L346 PolarHBondContact O-N 2.92Å; Y344-G347 PolarHBondContact O-N 3.49Å; Y344-L376 HydrophobicContact CE2-CD2 4.32Å; Y344-L376 PolarHBondContact OH-O 3.36Å
345	S	96.4	Very high	97.8	Very high	100 Å²	100	45.2 Å²	45.2	70%	0.699	26%	0.258	S	S	*	.	H	α-helix	trans	-63.8	-25.9	177.9	-56.9	0	0	0	0	112.4	T341 I342 P343	T341-S345 PolarHBondContact O-N 3.43Å; T341-S345 VanDerWaalsContact O-N 3.14Å; T341-S345 PolarHBondContact O-OG 3.37Å; I342-S345 PolarHBondContact O-N 3.43Å; I342-S345 VanDerWaalsContact O-N 3.16Å; P343-S345 PolarHBondContact O-N 2.96Å
346	L	97.8	Very high	97.9	Very high	115 Å²	115	40 Å²	40	60%	0.602	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-95.8	1.5	176.6	-62.2	178.2	0	0	0	113.5	M308 I342 P343 Y344 V348	M308-L346 HydrophobicContact CE-CB 4.3Å; M308-L346 HydrophobicContact CE-CD1 3.7Å; M308-L346 HydrophobicContact SD-CD1 4.41Å; I342-L346 HydrophobicContact CG2-CD1 3.8Å; I342-L346 HydrophobicContact CG2-CG 4.39Å; I342-L346 WeakPolarHBondContact O-CG 3.15Å; I342-L346 PolarHBondContact O-N 2.81Å; I342-L346 VanDerWaalsContact O-N 3.11Å; P343-L346 CarbonylContact O-C 3.59Å; P343-L346 PolarHBondContact O-N 3.48Å; P343-L346 VanDerWaalsContact O-N 3.16Å; Y344-L346 PolarHBondContact O-N 2.92Å; L346-V348 HydrophobicContact CB-CG2 4.34Å; L346-V348 PolarHBondContact O-N 3.49Å
347	G	97.1	Very high	97.9	Very high	73 Å²	73	40 Å²	40	75%	0.753	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	67.8	21.3	-176.6	0	0	0	0	0	114.3	P343 Y344	P343-G347 PolarHBondContact O-N 2.81Å; P343-G347 VanDerWaalsContact O-N 3.07Å; Y344-G347 PolarHBondContact O-N 3.49Å
348	V	97.3	Very high	97.9	Very high	56 Å²	56	37.4 Å²	37.4	34%	0.339	22%	0.222	S	C	.	.			trans	-99.6	127	178.7	177.6	0	0	0	0	110.2	M308 P343 L346 L350	M308-V348 HydrophobicContact CE-CB 3.61Å; M308-V348 HydrophobicContact CE-CG1 3.87Å; M308-V348 HydrophobicContact CE-CG2 3.5Å; M308-V348 HydrophobicContact CG-CG1 4.21Å; P343-V348 CarbonylContact C-O 3.56Å; P343-V348 HydrophobicContact CB-CB 4.45Å; P343-V348 VanDerWaalsContact CB-O 3.3Å; P343-V348 WeakPolarHBondContact CB-O 3.34Å; P343-V348 PolarHBondContact O-N 3.49Å; L346-V348 HydrophobicContact CB-CG2 4.34Å; L346-V348 PolarHBondContact O-N 3.49Å; V348-L350 PolarHBondContact O-N 3.02Å
349	N	94.4	Very high	98	Very high	122 Å²	122	32.3 Å²	32.3	65%	0.652	20%	0.195	S	C	*	.			trans	-83.8	98.5	173.3	-174.3	20	0	0	0	110.8	R311	R311-N349 PolarHBondContact NE-O 3.13Å
350	L	98.2	Very high	98	Very high	2 Å²	2	35.4 Å²	35.4	1%	0.01	21%	0.212	C	C	.	.			trans	-103.9	108.7	169.8	179.9	63.9	0	0	0	109	I304 A307 M308 F321 P343 V348 Y352	I304-L350 HydrophobicContact CD1-CD2 4.33Å; I304-L350 HydrophobicContact CG2-CD2 4.46Å; A307-L350 HydrophobicContact CB-CD1 4.16Å; A307-L350 HydrophobicContact CB-CD2 3.9Å; M308-L350 HydrophobicContact CG-CD2 4.28Å; F321-L350 HydrophobicContact CB-CD1 4.35Å; F321-L350 HydrophobicContact CB-CD2 4.02Å; F321-L350 HydrophobicContact CB-CG 4.27Å; P343-L350 HydrophobicContact CB-CB 3.93Å; P343-L350 HydrophobicContact CG-CB 3.98Å; P343-L350 HydrophobicContact CG-CD2 3.89Å; V348-L350 PolarHBondContact O-N 3.02Å; L350-Y352 HydrophobicContact CD2-CE1 3.88Å; L350-Y352 HydrophobicContact CG-CE1 4.22Å
351	P	98.5	Very high	98	Very high	20 Å²	20	43 Å²	43	13%	0.13	24%	0.24	C	C	.	.			trans	-65	143.1	174.1	-22.1	34.4	0	0	0	111.6	G320 F321 F353	G320-P351 CarbonylContact C-O 3.58Å; G320-P351 WeakPolarHBondContact CA-O 3.29Å; F321-P351 PolarHBondContact N-O 3.24Å; P351-F353 HydrophobicContact CB-CE2 4.01Å; P351-F353 HydrophobicContact CB-CZ 4.36Å
352	Y	98.9	Very high	98	Very high	1 Å²	1	47 Å²	47	0%	0.004	26%	0.256	C	S	.	.	B	Isolated β-bridge	trans	-111.9	152.3	174.2	-65.8	-58.8	0	0	0	111.9	I304 F321 L340 L350 F354 L376 T378 S379	I304-Y352 HydrophobicContact CD1-CE1 3.95Å; F321-Y352 HydrophobicContact CB-CD1 3.91Å; F321-Y352 HydrophobicContact CB-CE1 3.95Å; F321-Y352 AromaticContact CD1-CD1 3.95Å; F321-Y352 HydrophobicContact CD1-CD1 3.95Å; F321-Y352 AromaticContact CD1-CE1 3.74Å; F321-Y352 HydrophobicContact CD1-CE1 3.74Å; F321-Y352 HydrophobicContact CG-CD1 4.42Å; F321-Y352 HydrophobicContact CG-CE1 4.24Å; F321-Y352 WeakPolarHBondContact O-CA 3.28Å; L340-Y352 PolarHBondContact O-OH 3.49Å; L350-Y352 HydrophobicContact CD2-CE1 3.88Å; L350-Y352 HydrophobicContact CG-CE1 4.22Å; Y352-F354 AromaticContact CD1-CE1 3.86Å; Y352-F354 HydrophobicContact CD1-CE1 3.86Å; Y352-F354 HydrophobicContact CD1-CE2 4Å; Y352-F354 AromaticContact CD1-CZ 3.39Å; Y352-F354 HydrophobicContact CD1-CZ 3.39Å; Y352-F354 AromaticContact CD2-CE2 3.62Å; Y352-F354 HydrophobicContact CD2-CE2 3.62Å; Y352-F354 AromaticContact CD2-CZ 3.69Å; Y352-F354 HydrophobicContact CD2-CZ 3.69Å; Y352-F354 HydrophobicContact CE1-CE1 4.41Å; Y352-F354 AromaticContact CE1-CZ 3.88Å; Y352-F354 HydrophobicContact CE1-CZ 3.88Å; Y352-F354 HydrophobicContact CE2-CE2 4.38Å; Y352-F354 HydrophobicContact CE2-CZ 4.12Å; Y352-F354 HydrophobicContact CG-CD2 4.27Å; Y352-F354 HydrophobicContact CG-CE1 4.11Å; Y352-F354 AromaticContact CG-CE2 3.39Å; Y352-F354 HydrophobicContact CG-CE2 3.39Å; Y352-F354 AromaticContact CG-CZ 3.29Å; Y352-F354 HydrophobicContact CG-CZ 3.29Å; Y352-L376 WeakPolarHBondContact CD2-O 3.39Å; Y352-T378 PolarHBondContact O-OG1 3.33Å; Y352-T378 VanDerWaalsContact O-OG1 3.1Å; Y352-S379 PolarHBondContact O-N 2.78Å
353	F	98.9	Very high	98	Very high	3 Å²	3	48.3 Å²	48.3	1%	0.013	28%	0.278	C	S	.	.			trans	-135.8	46.6	179.4	-62.2	-86.6	0	0	0	110.8	I288 A319 F321 D322 P351 H355 R380 A483	I288-F353 HydrophobicContact CD1-CB 3.99Å; I288-F353 HydrophobicContact CD1-CD1 4.14Å; I288-F353 HydrophobicContact CD1-CD2 3.89Å; I288-F353 HydrophobicContact CD1-CE2 4.43Å; I288-F353 HydrophobicContact CD1-CG 3.73Å; I288-F353 HydrophobicContact CG1-CD2 3.86Å; I288-F353 HydrophobicContact CG1-CE2 4.21Å; I288-F353 HydrophobicContact CG1-CG 4.23Å; I288-F353 HydrophobicContact CG2-CB 4.22Å; I288-F353 HydrophobicContact CG2-CD2 4Å; I288-F353 HydrophobicContact CG2-CG 4.44Å; A319-F353 HydrophobicContact CB-CE2 4.02Å; A319-F353 HydrophobicContact CB-CZ 4.2Å; F321-F353 PolarHBondContact O-N 3.33Å; D322-F353 VanDerWaalsContact OD1-O 3.14Å; P351-F353 HydrophobicContact CB-CE2 4.01Å; P351-F353 HydrophobicContact CB-CZ 4.36Å; F353-H355 PolarHBondContact O-N 2.95Å; F353-R380 HydrophobicContact CD1-CB 4.28Å; F353-R380 HydrophobicContact CD1-CG 4.32Å; F353-R380 VanDerWaalsContact CD1-CZ 3.42Å; F353-R380 VanDerWaalsContact CD1-NH2 3.32Å; F353-R380 VanDerWaalsContact CE1-CZ 3.44Å; F353-R380 VanDerWaalsContact CE1-NH1 3.26Å; F353-A483 HydrophobicContact CE1-CB 4.43Å; F353-A483 HydrophobicContact CZ-CB 3.93Å
354	F	98.9	Very high	98	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	29%	0.291	C	S	.	.			trans	-57.6	130.1	-165.9	-67.5	-57.5	0	0	0	113.6	D322 L323 L333 L340 Y352 A356 A373 L376 T378 G382	D322-F354 WeakPolarHBondContact OD1-CA 3.38Å; L323-F354 HydrophobicContact CD1-CE1 4.21Å; L323-F354 HydrophobicContact CG-CE1 4.36Å; L333-F354 HydrophobicContact CD1-CB 4.12Å; L333-F354 HydrophobicContact CD1-CD1 4.49Å; L333-F354 HydrophobicContact CD1-CD2 4.04Å; L333-F354 HydrophobicContact CD1-CG 3.98Å; L333-F354 HydrophobicContact CD2-CD1 3.79Å; L333-F354 HydrophobicContact CD2-CE1 4.02Å; L333-F354 HydrophobicContact CD2-CG 4.11Å; L340-F354 HydrophobicContact CD1-CE1 4.29Å; L340-F354 HydrophobicContact CD1-CZ 4.01Å; L340-F354 HydrophobicContact CD2-CE1 4.15Å; L340-F354 HydrophobicContact CD2-CZ 4.07Å; L340-F354 HydrophobicContact CG-CZ 4.5Å; Y352-F354 AromaticContact CD1-CE1 3.86Å; Y352-F354 HydrophobicContact CD1-CE1 3.86Å; Y352-F354 HydrophobicContact CD1-CE2 4Å; Y352-F354 AromaticContact CD1-CZ 3.39Å; Y352-F354 HydrophobicContact CD1-CZ 3.39Å; Y352-F354 AromaticContact CD2-CE2 3.62Å; Y352-F354 HydrophobicContact CD2-CE2 3.62Å; Y352-F354 AromaticContact CD2-CZ 3.69Å; Y352-F354 HydrophobicContact CD2-CZ 3.69Å; Y352-F354 HydrophobicContact CE1-CE1 4.41Å; Y352-F354 AromaticContact CE1-CZ 3.88Å; Y352-F354 HydrophobicContact CE1-CZ 3.88Å; Y352-F354 HydrophobicContact CE2-CE2 4.38Å; Y352-F354 HydrophobicContact CE2-CZ 4.12Å; Y352-F354 HydrophobicContact CG-CD2 4.27Å; Y352-F354 HydrophobicContact CG-CE1 4.11Å; Y352-F354 AromaticContact CG-CE2 3.39Å; Y352-F354 HydrophobicContact CG-CE2 3.39Å; Y352-F354 AromaticContact CG-CZ 3.29Å; Y352-F354 HydrophobicContact CG-CZ 3.29Å; F354-A356 PolarHBondContact O-N 3.3Å; F354-A373 HydrophobicContact CB-CB 4.07Å; F354-A373 HydrophobicContact CD2-CB 4.07Å; F354-L376 HydrophobicContact CE2-CB 3.82Å; F354-L376 HydrophobicContact CE2-CD1 3.87Å; F354-L376 HydrophobicContact CZ-CD1 4.21Å; F354-T378 PolarHBondContact N-OG1 2.92Å; F354-G382 PolarHBondContact O-N 3.4Å
355	H	98.9	Very high	98.1	Very high	10 Å²	10	50 Å²	50	5%	0.046	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-57	126	149.8	-73.4	62.7	0	0	0	108.9	H109 H111 D322 F353 H383	H109-H355 AromaticContact CE1-CD2 3.84Å; H109-H355 AromaticContact CE1-CE1 3.3Å; H109-H355 PolarHBondContact CE1-CE1 3.3Å; H109-H355 AromaticContact CE1-ND1 3.96Å; H109-H355 AromaticContact CE1-NE2 3.23Å; H109-H355 PolarHBondContact CE1-NE2 3.32Å; H109-H355 AromaticContact NE2-CE1 3.49Å; H109-H355 PolarHBondContact NE2-CE1 3.31Å; H109-H355 AromaticContact NE2-NE2 3.15Å; H109-H355 PolarHBondContact NE2-NE2 2.83Å; H109-H355 VanDerWaalsContact NE2-NE2 3.15Å; H111-H355 AromaticContact CE1-CE1 3.56Å; H111-H355 AromaticContact CE1-NE2 3.6Å; H111-H355 AromaticContact NE2-CE1 3.45Å; H111-H355 PolarHBondContact NE2-CE1 3.44Å; H111-H355 AromaticContact NE2-NE2 3.42Å; H111-H355 PolarHBondContact NE2-NE2 3.36Å; D322-H355 PolarHBondContact OD1-N 2.63Å; D322-H355 IonicContact OD1-ND1 3.88Å; D322-H355 PolarHBondContact OD1-ND1 3.38Å; D322-H355 IonicContact OD2-CE1 2.79Å; D322-H355 PolarHBondContact OD2-CE1 3.28Å; D322-H355 VanDerWaalsContact OD2-CE1 3.25Å; D322-H355 IonicContact OD2-ND1 3.18Å; D322-H355 PolarHBondContact OD2-ND1 3.42Å; F353-H355 PolarHBondContact O-N 2.95Å; H355-H383 AromaticContact CD2-CD2 3.54Å; H355-H383 AromaticContact CD2-NE2 3.25Å; H355-H383 PolarHBondContact CD2-NE2 2.86Å; H355-H383 VanDerWaalsContact CD2-NE2 3.25Å; H355-H383 AromaticContact NE2-NE2 3.56Å
356	A	98.9	Very high	98.2	Very high	0 Å²	0	46 Å²	46	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.5	134.1	177.6	0	0	0	0	0	112.7	E327 F354 N369 V370 A373 I381 G382 G384	E327-A356 VanDerWaalsContact OE2-C 3.29Å; E327-A356 WeakPolarHBondContact OE2-CA 3.5Å; F354-A356 PolarHBondContact O-N 3.3Å; A356-N369 HydrophobicContact CB-CB 3.85Å; A356-V370 HydrophobicContact CB-CG1 4.2Å; A356-V370 WeakPolarHBondContact O-CG1 3.29Å; A356-A373 HydrophobicContact CB-CB 4.08Å; A356-I381 HydrophobicContact CB-CG2 4.15Å; A356-G382 PolarHBondContact N-O 2.93Å; A356-G382 VanDerWaalsContact N-O 3.17Å; A356-G384 VanDerWaalsContact O-CA 3.31Å; A356-G384 WeakPolarHBondContact O-CA 3.46Å; A356-G384 PolarHBondContact O-N 3.5Å
357	G	98.6	Very high	98.2	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	24%	0.243	C	C	.	.			trans	73.6	24.8	177.3	0	0	0	0	0	113.9	E327 T359 L385 A386	E327-G357 PolarHBondContact OE2-N 3.23Å; G357-T359 PolarHBondContact O-N 2.92Å; G357-L385 VanDerWaalsContact O-CB 3.31Å; G357-L385 WeakPolarHBondContact O-CB 3.21Å; G357-L385 PolarHBondContact O-N 3.25Å; G357-A386 WeakPolarHBondContact O-CB 3.48Å; G357-A386 PolarHBondContact O-N 2.83Å
358	E	98.8	Very high	98.3	Very high	12 Å²	12	40 Å²	40	6%	0.056	22%	0.223	C	C	.	.			trans	-78.3	68.6	169.1	-165.2	-168.5	-170	0	0	109.8	E327 H383 L416	E327-E358 PolarHBondContact OE2-N 3.49Å; E358-H383 HydrophobicContact CB-CB 3.95Å; E358-H383 HydrophobicContact CG-CB 4Å; E358-H383 IonicContact OE1-CE1 3.44Å; E358-H383 PolarHBondContact OE1-CE1 3.43Å; E358-H383 IonicContact OE1-ND1 2.72Å; E358-H383 IonicContact OE1-NE2 3.42Å; E358-H383 IonicContact OE2-CD2 3.64Å; E358-H383 IonicContact OE2-CE1 3.72Å; E358-H383 IonicContact OE2-NE2 3.25Å; E358-H383 PolarHBondContact OE2-NE2 3.27Å; E358-L416 HydrophobicContact CG-CD1 3.63Å
359	T	98.8	Very high	98.4	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	21%	0.207	C	C	.	.	S	Bend	trans	-156.2	149.8	-173.8	-174.2	0	0	0	0	112.5	D328 G357 W361 V366 D367 A386 K389	D328-T359 VanDerWaalsContact OD1-CB 3.24Å; D328-T359 WeakPolarHBondContact OD1-CB 3.37Å; D328-T359 PolarHBondContact OD1-OG1 3.01Å; G357-T359 PolarHBondContact O-N 2.92Å; T359-W361 VanDerWaalsContact OG1-CD1 3.25Å; T359-W361 PolarHBondContact OG1-N 3.43Å; T359-W361 VanDerWaalsContact OG1-N 3.17Å; T359-V366 HydrophobicContact CG2-CB 4.29Å; T359-V366 HydrophobicContact CG2-CG1 3.82Å; T359-D367 HydrophobicContact CG2-CB 3.77Å; T359-A386 HydrophobicContact CG2-CB 4.32Å; T359-K389 PolarHBondContact O-NZ 3.19Å
360	D	98.4	Very high	98.6	Very high	65 Å²	65	31.5 Å²	31.5	35%	0.348	18%	0.176	S	C	.	.	S	Bend	trans	-80.3	-24.7	169.9	-71.8	-38	0	0	0	112.7	Q199 K389 L416	Q199-D360 PolarHBondContact NE2-OD2 3.22Å; D360-K389 PolarHBondContact O-NZ 2.83Å; D360-L416 VanDerWaalsContact OD1-O 3.07Å
361	W	98.4	Very high	98.6	Very high	159 Å²	159	34.4 Å²	34.4	60%	0.602	19%	0.191	S	C	*	.			trans	-61.3	153.4	-179.9	-60.5	109.3	0	0	0	111.8	D328 T359 T364	D328-W361 PolarHBondContact OD2-NE1 3.43Å; T359-W361 VanDerWaalsContact OG1-CD1 3.25Å; T359-W361 PolarHBondContact OG1-N 3.43Å; T359-W361 VanDerWaalsContact OG1-N 3.17Å; W361-T364 HydrophobicContact CB-CG2 3.81Å; W361-T364 HydrophobicContact CG-CG2 4.47Å
362	Q	98.4	Very high	98.6	Very high	130 Å²	130	34.3 Å²	34.3	61%	0.607	19%	0.189	S	C	*	.			trans	-137.7	134.1	179.3	-173.3	-178.5	2.6	0	0	110.1	T364 D367 K389	Q362-T364 VanDerWaalsContact C-N 3.34Å; Q362-D367 WeakPolarHBondContact CA-OD2 3.48Å; Q362-K389 HydrophobicContact CB-CD 4.05Å; Q362-K389 HydrophobicContact CG-CB 4.13Å; Q362-K389 HydrophobicContact CG-CD 3.97Å
363	G	97.8	Very high	98.6	Very high	64 Å²	64	34.3 Å²	34.3	66%	0.66	19%	0.189	S	C	*	.	S	Bend	trans	76.8	21.5	179.1	0	0	0	0	0	113.6	D367	G363-D367 PolarHBondContact N-OD1 3.42Å; G363-D367 PolarHBondContact N-OD2 3.01Å
364	T	98.5	Very high	98.6	Very high	44 Å²	44	34.1 Å²	34.1	27%	0.27	19%	0.189	S	C	.	.	S	Bend	trans	-105.8	174.6	179.6	70.1	0	0	0	0	111	W361 Q362 V366 D367 N368	W361-T364 HydrophobicContact CB-CG2 3.81Å; W361-T364 HydrophobicContact CG-CG2 4.47Å; Q362-T364 VanDerWaalsContact C-N 3.34Å; T364-V366 PolarHBondContact O-N 3.12Å; T364-V366 PolarHBondContact OG1-N 3.1Å; T364-D367 WeakPolarHBondContact CA-OD1 3.29Å; T364-D367 PolarHBondContact N-OD1 3.21Å; T364-D367 PolarHBondContact OG1-OD1 2.83Å; T364-N368 WeakPolarHBondContact O-CB 3.33Å; T364-N368 PolarHBondContact O-N 3.06Å; T364-N368 PolarHBondContact O-ND2 3.28Å
365	S	97.9	Very high	98.6	Very high	73 Å²	73	38.9 Å²	38.9	51%	0.51	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-21.1	171	44.9	0	0	0	0	113.4
366	V	98.1	Very high	98.6	Very high	17 Å²	17	39.1 Å²	39.1	10%	0.103	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.8	-56.4	-173.8	-173.8	0	0	0	0	110.7	E327 D328 T359 T364 N368 N369	E327-V366 HydrophobicContact CB-CG1 4.37Å; E327-V366 HydrophobicContact CG-CG1 3.28Å; D328-V366 WeakPolarHBondContact OD1-CG1 3.45Å; T359-V366 HydrophobicContact CG2-CB 4.29Å; T359-V366 HydrophobicContact CG2-CG1 3.82Å; T364-V366 PolarHBondContact O-N 3.12Å; T364-V366 PolarHBondContact OG1-N 3.1Å; V366-N368 PolarHBondContact O-N 3.28Å; V366-N369 WeakPolarHBondContact O-CB 3.42Å; V366-N369 VanDerWaalsContact O-CG 3.28Å; V366-N369 PolarHBondContact O-N 2.88Å; V366-N369 PolarHBondContact O-ND2 3.43Å; V366-N369 VanDerWaalsContact O-ND2 3.14Å
367	D	98.6	Very high	98.5	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68	-22.5	178	60.4	-59.4	0	0	0	112.7	T359 Q362 G363 T364 N369 V370 A386 H390	T359-D367 HydrophobicContact CG2-CB 3.77Å; Q362-D367 WeakPolarHBondContact CA-OD2 3.48Å; G363-D367 PolarHBondContact N-OD1 3.42Å; G363-D367 PolarHBondContact N-OD2 3.01Å; T364-D367 WeakPolarHBondContact CA-OD1 3.29Å; T364-D367 PolarHBondContact N-OD1 3.21Å; T364-D367 PolarHBondContact OG1-OD1 2.83Å; D367-N369 PolarHBondContact O-N 2.9Å; D367-V370 WeakPolarHBondContact O-CG2 3.27Å; D367-V370 PolarHBondContact O-N 3.32Å; D367-A386 HydrophobicContact CB-CB 3.7Å; D367-H390 IonicContact OD2-CD2 2.78Å; D367-H390 IonicContact OD2-CE1 2.71Å; D367-H390 PolarHBondContact OD2-CE1 3.08Å; D367-H390 IonicContact OD2-NE2 2.91Å; D367-H390 PolarHBondContact OD2-NE2 3.24Å
368	N	98.7	Very high	98.5	Very high	61 Å²	61	43.3 Å²	43.3	33%	0.326	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-17.2	170.4	-73.8	-18.7	0	0	0	113.6	T364 V366 V370 L371 D372	T364-N368 WeakPolarHBondContact O-CB 3.33Å; T364-N368 PolarHBondContact O-N 3.06Å; T364-N368 PolarHBondContact O-ND2 3.28Å; V366-N368 PolarHBondContact O-N 3.28Å; N368-V370 PolarHBondContact O-N 3.09Å; N368-V370 VanDerWaalsContact O-N 3.09Å; N368-L371 WeakPolarHBondContact O-CB 3.35Å; N368-L371 PolarHBondContact O-N 3.03Å; N368-D372 PolarHBondContact O-N 3.48Å
369	N	98.9	Very high	98.5	Very high	1 Å²	1	45 Å²	45	1%	0.005	25%	0.251	C	S	.	.	H	α-helix	trans	-57	-26.5	174.7	-70.5	-33.4	0	0	0	112	R293 E327 S332 L333 A356 V366 D367 L371 D372 A373	R293-N369 PolarHBondContact NH2-ND2 3.08Å; E327-N369 PolarHBondContact OE1-ND2 2.82Å; S332-N369 WeakPolarHBondContact CA-OD1 3.34Å; S332-N369 WeakPolarHBondContact CB-OD1 3.46Å; L333-N369 HydrophobicContact CD1-CB 4.08Å; L333-N369 HydrophobicContact CG-CB 4.13Å; L333-N369 PolarHBondContact N-OD1 3.05Å; A356-N369 HydrophobicContact CB-CB 3.85Å; V366-N369 WeakPolarHBondContact O-CB 3.42Å; V366-N369 VanDerWaalsContact O-CG 3.28Å; V366-N369 PolarHBondContact O-N 2.88Å; V366-N369 PolarHBondContact O-ND2 3.43Å; V366-N369 VanDerWaalsContact O-ND2 3.14Å; D367-N369 PolarHBondContact O-N 2.9Å; N369-L371 VanDerWaalsContact C-N 3.26Å; N369-L371 PolarHBondContact O-N 2.89Å; N369-D372 PolarHBondContact O-N 3.34Å; N369-A373 WeakPolarHBondContact O-CB 3.41Å; N369-A373 PolarHBondContact O-N 3.45Å
370	V	98.8	Very high	98.5	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-63.5	-33	175.2	-64	0	0	0	0	112.4	A356 D367 N368 L374 L387 V393	A356-V370 HydrophobicContact CB-CG1 4.2Å; A356-V370 WeakPolarHBondContact O-CG1 3.29Å; D367-V370 WeakPolarHBondContact O-CG2 3.27Å; D367-V370 PolarHBondContact O-N 3.32Å; N368-V370 PolarHBondContact O-N 3.09Å; N368-V370 VanDerWaalsContact O-N 3.09Å; V370-L374 WeakPolarHBondContact O-CG 3.42Å; V370-L387 HydrophobicContact CB-CD1 4.38Å; V370-L387 HydrophobicContact CG2-CD1 4.42Å; V370-V393 HydrophobicContact CB-CG1 4.24Å; V370-V393 HydrophobicContact CG2-CB 4.48Å; V370-V393 HydrophobicContact CG2-CG1 3.88Å
371	L	98.9	Very high	98.6	Very high	63 Å²	63	42 Å²	42	33%	0.33	24%	0.235	S	C	.	.	H	α-helix	trans	-74.4	-49.6	173.5	172.9	59.6	0	0	0	110.3	N368 N369 A373 L374 L375 V393	N368-L371 WeakPolarHBondContact O-CB 3.35Å; N368-L371 PolarHBondContact O-N 3.03Å; N369-L371 VanDerWaalsContact C-N 3.26Å; N369-L371 PolarHBondContact O-N 2.89Å; L371-A373 VanDerWaalsContact C-N 3.28Å; L371-A373 PolarHBondContact O-N 3.43Å; L371-L374 WeakPolarHBondContact O-CB 3.47Å; L371-L374 PolarHBondContact O-N 2.89Å; L371-L375 HydrophobicContact CD1-CD1 4.24Å; L371-L375 HydrophobicContact CD1-CD2 4.41Å; L371-L375 HydrophobicContact CD1-CG 4.09Å; L371-L375 HydrophobicContact CG-CD1 4.07Å; L371-L375 HydrophobicContact CG-CG 4.33Å; L371-L375 WeakPolarHBondContact O-CG 3.35Å; L371-L375 PolarHBondContact O-N 2.83Å; L371-V393 HydrophobicContact CB-CG1 4.28Å; L371-V393 HydrophobicContact CB-CG2 3.92Å; L371-V393 HydrophobicContact CD1-CG2 4.21Å
372	D	98.8	Very high	98.6	Very high	18 Å²	18	34.5 Å²	34.5	10%	0.096	21%	0.206	C	C	.	.	H	α-helix	trans	-62.5	-36.6	-176.5	-68.8	-38.9	0	0	0	112.1	L333 W334 N368 N369 L374 L375 L376	L333-D372 HydrophobicContact CB-CB 3.82Å; L333-D372 HydrophobicContact CD1-CB 4.28Å; W334-D372 WeakPolarHBondContact CB-OD2 3.43Å; N368-D372 PolarHBondContact O-N 3.48Å; N369-D372 PolarHBondContact O-N 3.34Å; D372-L374 VanDerWaalsContact C-N 3.32Å; D372-L374 PolarHBondContact O-N 3.33Å; D372-L375 PolarHBondContact O-N 3.18Å; D372-L376 WeakPolarHBondContact O-CB 3.32Å; D372-L376 VanDerWaalsContact O-CG 3.3Å; D372-L376 WeakPolarHBondContact O-CG 3.48Å; D372-L376 PolarHBondContact O-N 3.11Å
373	A	98.9	Very high	98.6	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-58.9	-42.9	173.3	0	0	0	0	0	111.6	L333 F354 A356 N369 L371 L376 N377 T378	L333-A373 HydrophobicContact CD1-CB 3.79Å; F354-A373 HydrophobicContact CB-CB 4.07Å; F354-A373 HydrophobicContact CD2-CB 4.07Å; A356-A373 HydrophobicContact CB-CB 4.08Å; N369-A373 WeakPolarHBondContact O-CB 3.41Å; N369-A373 PolarHBondContact O-N 3.45Å; L371-A373 VanDerWaalsContact C-N 3.28Å; L371-A373 PolarHBondContact O-N 3.43Å; A373-L376 CarbonylContact O-C 3.55Å; A373-L376 PolarHBondContact O-N 3.38Å; A373-N377 PolarHBondContact O-N 3.34Å; A373-T378 HydrophobicContact CB-CG2 3.92Å; A373-T378 VanDerWaalsContact O-CB 3.28Å; A373-T378 WeakPolarHBondContact O-CB 3.42Å; A373-T378 WeakPolarHBondContact O-CG2 3.4Å; A373-T378 PolarHBondContact O-N 3.12Å
374	L	98.8	Very high	98.6	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-67.7	-40.2	175.1	-67.4	178	0	0	0	111.7	V370 L371 D372 L376 N377 T378 I381 V393 L396 R400 I402	V370-L374 WeakPolarHBondContact O-CG 3.42Å; L371-L374 WeakPolarHBondContact O-CB 3.47Å; L371-L374 PolarHBondContact O-N 2.89Å; D372-L374 VanDerWaalsContact C-N 3.32Å; D372-L374 PolarHBondContact O-N 3.33Å; L374-L376 PolarHBondContact O-N 2.88Å; L374-N377 PolarHBondContact O-N 3.04Å; L374-T378 HydrophobicContact CD2-CG2 4.41Å; L374-I381 HydrophobicContact CD2-CD1 3.99Å; L374-I381 HydrophobicContact CG-CD1 4.17Å; L374-V393 HydrophobicContact CD1-CG1 3.65Å; L374-L396 HydrophobicContact CB-CD2 4.3Å; L374-L396 HydrophobicContact CD1-CB 4.17Å; L374-L396 HydrophobicContact CD1-CD2 4Å; L374-L396 HydrophobicContact CD1-CG 4.03Å; L374-R400 PolarHBondContact O-NH1 2.95Å; L374-I402 HydrophobicContact CD2-CB 4.07Å; L374-I402 HydrophobicContact CD2-CG1 4.11Å; L374-I402 HydrophobicContact CD2-CG2 3.98Å
375	L	98.4	Very high	98.6	Very high	100 Å²	100	23.6 Å²	23.6	52%	0.524	14%	0.135	S	C	.	.	H	α-helix	trans	-64.5	-32.2	176.7	-64.9	179.5	0	0	0	112.1	L371 D372 N377	L371-L375 HydrophobicContact CD1-CD1 4.24Å; L371-L375 HydrophobicContact CD1-CD2 4.41Å; L371-L375 HydrophobicContact CD1-CG 4.09Å; L371-L375 HydrophobicContact CG-CD1 4.07Å; L371-L375 HydrophobicContact CG-CG 4.33Å; L371-L375 WeakPolarHBondContact O-CG 3.35Å; L371-L375 PolarHBondContact O-N 2.83Å; D372-L375 PolarHBondContact O-N 3.18Å; L375-N377 PolarHBondContact O-N 3.01Å
376	L	98.4	Very high	98.7	Very high	14 Å²	14	20.1 Å²	20.1	7%	0.073	11%	0.111	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.7	18.5	171.8	-64.9	168.8	0	0	0	112.8	L333 L340 T341 Y344 Y352 F354 D372 A373 L374 T378	L333-L376 HydrophobicContact CB-CD1 4.32Å; L340-L376 HydrophobicContact CB-CD1 4.16Å; L340-L376 HydrophobicContact CB-CD2 4.25Å; L340-L376 HydrophobicContact CD1-CD1 3.68Å; T341-L376 HydrophobicContact CG2-CD2 3.91Å; Y344-L376 HydrophobicContact CE2-CD2 4.32Å; Y344-L376 PolarHBondContact OH-O 3.36Å; Y352-L376 WeakPolarHBondContact CD2-O 3.39Å; F354-L376 HydrophobicContact CE2-CB 3.82Å; F354-L376 HydrophobicContact CE2-CD1 3.87Å; F354-L376 HydrophobicContact CZ-CD1 4.21Å; D372-L376 WeakPolarHBondContact O-CB 3.32Å; D372-L376 VanDerWaalsContact O-CG 3.3Å; D372-L376 WeakPolarHBondContact O-CG 3.48Å; D372-L376 PolarHBondContact O-N 3.11Å; A373-L376 CarbonylContact O-C 3.55Å; A373-L376 PolarHBondContact O-N 3.38Å; L374-L376 PolarHBondContact O-N 2.88Å; L376-T378 VanDerWaalsContact C-N 3.26Å; L376-T378 PolarHBondContact O-N 3.33Å; L376-T378 VanDerWaalsContact O-N 3.16Å
377	N	98.2	Very high	98.7	Very high	87 Å²	87	19.3 Å²	19.3	47%	0.465	11%	0.106	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.6	40.8	174.5	-58.9	-53	0	0	0	114.1	A373 L374 L375 R400	A373-N377 PolarHBondContact O-N 3.34Å; L374-N377 PolarHBondContact O-N 3.04Å; L375-N377 PolarHBondContact O-N 3.01Å; N377-R400 PolarHBondContact OD1-NH2 3.22Å
378	T	98.9	Very high	98.7	Very high	1 Å²	1	22.3 Å²	22.3	1%	0.006	12%	0.121	C	C	.	.			trans	-55.8	143.2	173.2	-159.2	0	0	0	0	111	Y352 F354 A373 L374 L376 R380 I381 I402	Y352-T378 PolarHBondContact O-OG1 3.33Å; Y352-T378 VanDerWaalsContact O-OG1 3.1Å; F354-T378 PolarHBondContact N-OG1 2.92Å; A373-T378 HydrophobicContact CB-CG2 3.92Å; A373-T378 VanDerWaalsContact O-CB 3.28Å; A373-T378 WeakPolarHBondContact O-CB 3.42Å; A373-T378 WeakPolarHBondContact O-CG2 3.4Å; A373-T378 PolarHBondContact O-N 3.12Å; L374-T378 HydrophobicContact CD2-CG2 4.41Å; L376-T378 VanDerWaalsContact C-N 3.26Å; L376-T378 PolarHBondContact O-N 3.33Å; L376-T378 VanDerWaalsContact O-N 3.16Å; T378-R380 WeakPolarHBondContact CG2-O 3.26Å; T378-R380 PolarHBondContact OG1-O 3.04Å; T378-I381 HydrophobicContact CG2-CG1 3.74Å; T378-I402 HydrophobicContact CG2-CG2 4.16Å; T378-I402 WeakPolarHBondContact O-CD1 3.16Å
379	S	98.8	Very high	98.7	Very high	49 Å²	49	21.8 Å²	21.8	34%	0.343	12%	0.116	S	C	.	.	S	Bend	trans	-81.7	-31.1	178.4	-61.8	0	0	0	0	111.8	Y352	Y352-S379 PolarHBondContact O-N 2.78Å
380	R	98.9	Very high	98.7	Very high	2 Å²	2	23.1 Å²	23.1	1%	0.008	12%	0.122	C	C	.	.	S	Bend	trans	-148.3	160.3	173.9	-57.4	-168.4	-63.6	-90.4	-4.6	109.3	L108 E243 F353 T378 P403 E405 Y481	L108-R380 PolarHBondContact O-NH2 2.57Å; E243-R380 IonicContact OE1-NH1 3.08Å; E243-R380 IonicContact OE2-CZ 2.69Å; E243-R380 IonicContact OE2-NH1 3.32Å; E243-R380 PolarHBondContact OE2-NH1 3.14Å; E243-R380 IonicContact OE2-NH2 3.75Å; E243-R380 PolarHBondContact OE2-NH2 2.99Å; F353-R380 HydrophobicContact CD1-CB 4.28Å; F353-R380 HydrophobicContact CD1-CG 4.32Å; F353-R380 VanDerWaalsContact CD1-CZ 3.42Å; F353-R380 VanDerWaalsContact CD1-NH2 3.32Å; F353-R380 VanDerWaalsContact CE1-CZ 3.44Å; F353-R380 VanDerWaalsContact CE1-NH1 3.26Å; T378-R380 WeakPolarHBondContact CG2-O 3.26Å; T378-R380 PolarHBondContact OG1-O 3.04Å; R380-P403 HydrophobicContact CB-CG 4.2Å; R380-P403 HydrophobicContact CG-CG 3.69Å; R380-E405 HydrophobicContact CB-CG 4.35Å; R380-E405 IonicContact CZ-OE1 3.34Å; R380-E405 IonicContact NE-OE1 2.7Å; R380-E405 PolarHBondContact NE-OE1 3.22Å; R380-E405 IonicContact NH2-OE1 3.83Å; R380-E405 PolarHBondContact NH2-OE1 3.08Å; R380-Y481 WeakPolarHBondContact CD-O 3.35Å; R380-Y481 PolarHBondContact NH1-O 3.4Å
381	I	98.9	Very high	98.6	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	119.6	174.9	-65.3	170	0	0	0	108.5	A356 L374 T378 I402 P403 I404 E405	A356-I381 HydrophobicContact CB-CG2 4.15Å; L374-I381 HydrophobicContact CD2-CD1 3.99Å; L374-I381 HydrophobicContact CG-CD1 4.17Å; T378-I381 HydrophobicContact CG2-CG1 3.74Å; I381-I402 HydrophobicContact CD1-CG2 4.42Å; I381-I402 HydrophobicContact CG1-CG2 4.24Å; I381-P403 PolarHBondContact N-O 3.07Å; I381-I404 HydrophobicContact CB-CG2 4.1Å; I381-I404 HydrophobicContact CG2-CG2 4.23Å; I381-I404 CarbonylContact O-C 3.24Å; I381-I404 VanDerWaalsContact O-CA 3.29Å; I381-I404 WeakPolarHBondContact O-CA 2.9Å; I381-E405 PolarHBondContact O-N 2.88Å
382	G	98.9	Very high	98.6	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	127.8	171.2	0	0	0	0	0	110.7	F354 A356 G384 E405	F354-G382 PolarHBondContact O-N 3.4Å; A356-G382 PolarHBondContact N-O 2.93Å; A356-G382 VanDerWaalsContact N-O 3.17Å; G382-G384 VanDerWaalsContact C-N 3.27Å; G382-G384 PolarHBondContact O-N 3.19Å; G382-E405 VanDerWaalsContact CA-OE2 3.28Å; G382-E405 WeakPolarHBondContact CA-OE2 3.41Å
383	H	98.8	Very high	98.6	Very high	3 Å²	3	29.7 Å²	29.7	1%	0.014	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	62.4	-69.9	-173.5	-45.4	-83.5	0	0	0	114.5	H109 H355 E358 L385 E405 N411 D440	H109-H383 AromaticContact CE1-NE2 3.69Å; H109-H383 AromaticContact NE2-CE1 3.91Å; H109-H383 AromaticContact NE2-NE2 3.57Å; H355-H383 AromaticContact CD2-CD2 3.54Å; H355-H383 AromaticContact CD2-NE2 3.25Å; H355-H383 PolarHBondContact CD2-NE2 2.86Å; H355-H383 VanDerWaalsContact CD2-NE2 3.25Å; H355-H383 AromaticContact NE2-NE2 3.56Å; E358-H383 HydrophobicContact CB-CB 3.95Å; E358-H383 HydrophobicContact CG-CB 4Å; E358-H383 IonicContact OE1-CE1 3.44Å; E358-H383 PolarHBondContact OE1-CE1 3.43Å; E358-H383 IonicContact OE1-ND1 2.72Å; E358-H383 IonicContact OE1-NE2 3.42Å; E358-H383 IonicContact OE2-CD2 3.64Å; E358-H383 IonicContact OE2-CE1 3.72Å; E358-H383 IonicContact OE2-NE2 3.25Å; E358-H383 PolarHBondContact OE2-NE2 3.27Å; H383-L385 PolarHBondContact O-N 3.4Å; H383-E405 WeakPolarHBondContact CA-O 2.95Å; H383-E405 PolarHBondContact N-O 3.1Å; H383-N411 PolarHBondContact ND1-ND2 3.13Å; H383-D440 IonicContact CE1-OD2 2.69Å; H383-D440 PolarHBondContact CE1-OD2 2.91Å
384	G	98.4	Very high	98.6	Very high	1 Å²	1	31.6 Å²	31.6	1%	0.01	18%	0.176	C	C	.	.			trans	60.9	28.9	-173.6	0	0	0	0	0	113.3	A356 G382 A386 L387	A356-G384 VanDerWaalsContact O-CA 3.31Å; A356-G384 WeakPolarHBondContact O-CA 3.46Å; A356-G384 PolarHBondContact O-N 3.5Å; G382-G384 VanDerWaalsContact C-N 3.27Å; G382-G384 PolarHBondContact O-N 3.19Å; G384-A386 VanDerWaalsContact C-N 3.27Å; G384-A386 PolarHBondContact O-N 3.15Å; G384-L387 WeakPolarHBondContact O-CB 3.43Å; G384-L387 PolarHBondContact O-N 3.1Å
385	L	98.3	Very high	98.6	Very high	6 Å²	6	34.9 Å²	34.9	3%	0.031	19%	0.193	C	C	.	.	G	3₁₀ helix	trans	-56.6	-41.4	-173	-168.1	73.4	0	0	0	112	G357 H383 L387 L416 V417 H423 P424	G357-L385 VanDerWaalsContact O-CB 3.31Å; G357-L385 WeakPolarHBondContact O-CB 3.21Å; G357-L385 PolarHBondContact O-N 3.25Å; H383-L385 PolarHBondContact O-N 3.4Å; L385-L387 VanDerWaalsContact C-N 3.31Å; L385-L387 PolarHBondContact O-N 3.41Å; L385-L416 HydrophobicContact CD2-CB 3.65Å; L385-L416 HydrophobicContact CD2-CD1 4.02Å; L385-L416 HydrophobicContact CD2-CD2 4.13Å; L385-L416 HydrophobicContact CD2-CG 4.15Å; L385-V417 HydrophobicContact CD1-CG2 4.26Å; L385-V417 HydrophobicContact CD2-CG2 4.49Å; L385-H423 WeakPolarHBondContact CD1-NE2 3.34Å; L385-P424 HydrophobicContact CD1-CG 3.89Å; L385-P424 HydrophobicContact CG-CG 4.12Å; L385-P424 WeakPolarHBondContact O-CB 3.41Å
386	A	98.6	Very high	98.6	Very high	0 Å²	0	33 Å²	33	0%	0	18%	0.183	C	C	.	.	G	3₁₀ helix	trans	-78.9	-4.7	178.5	0	0	0	0	0	114.6	G357 T359 D367 G384 I388 K389	G357-A386 WeakPolarHBondContact O-CB 3.48Å; G357-A386 PolarHBondContact O-N 2.83Å; T359-A386 HydrophobicContact CG2-CB 4.32Å; D367-A386 HydrophobicContact CB-CB 3.7Å; G384-A386 VanDerWaalsContact C-N 3.27Å; G384-A386 PolarHBondContact O-N 3.15Å; A386-I388 PolarHBondContact O-N 3.49Å; A386-I388 VanDerWaalsContact O-N 3.11Å; A386-K389 HydrophobicContact CB-CD 4.27Å; A386-K389 VanDerWaalsContact O-CB 3.27Å; A386-K389 WeakPolarHBondContact O-CB 3.5Å; A386-K389 PolarHBondContact O-N 2.99Å
387	L	98.7	Very high	98.6	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	18%	0.18	C	C	.	.	G	3₁₀ helix	trans	-56.4	-35.8	-171.7	-176.8	63.6	0	0	0	113.1	V370 G384 L385 K389 H390 V393 K394 I404 L428	V370-L387 HydrophobicContact CB-CD1 4.38Å; V370-L387 HydrophobicContact CG2-CD1 4.42Å; G384-L387 WeakPolarHBondContact O-CB 3.43Å; G384-L387 PolarHBondContact O-N 3.1Å; L385-L387 VanDerWaalsContact C-N 3.31Å; L385-L387 PolarHBondContact O-N 3.41Å; L387-K389 PolarHBondContact O-N 3.21Å; L387-H390 PolarHBondContact O-N 2.69Å; L387-V393 HydrophobicContact CD1-CB 4.29Å; L387-V393 HydrophobicContact CD1-CG1 3.96Å; L387-K394 HydrophobicContact CD1-CB 4.31Å; L387-K394 HydrophobicContact CG-CB 4.15Å; L387-K394 HydrophobicContact CG-CG 4.42Å; L387-I404 HydrophobicContact CD2-CG2 3.66Å; L387-L428 HydrophobicContact CD2-CD1 4.38Å
388	I	98.1	Very high	98.6	Very high	62 Å²	62	31.8 Å²	31.8	32%	0.318	18%	0.176	S	C	.	.	G	3₁₀ helix	trans	-63.4	-25.7	-178.7	81.7	81	0	0	0	112.3	A386 H390 P424 L428	A386-I388 PolarHBondContact O-N 3.49Å; A386-I388 VanDerWaalsContact O-N 3.11Å; I388-H390 PolarHBondContact O-N 3.13Å; I388-P424 HydrophobicContact CG1-CB 4.06Å; I388-P424 HydrophobicContact CG2-CB 3.91Å; I388-P424 WeakPolarHBondContact CG2-O 3.4Å; I388-L428 HydrophobicContact CG2-CD1 3.94Å; I388-L428 HydrophobicContact CG2-CD2 3.97Å; I388-L428 HydrophobicContact CG2-CG 3.7Å
389	K	98.6	Very high	98.6	Very high	50 Å²	50	39.1 Å²	39.1	22%	0.217	21%	0.208	C	C	.	.	G	3₁₀ helix	trans	-76.1	-7.8	-179.7	-54.5	172.2	-171.4	162.2	0	111.6	T359 D360 Q362 A386 L387 P391	T359-K389 PolarHBondContact O-NZ 3.19Å; D360-K389 PolarHBondContact O-NZ 2.83Å; Q362-K389 HydrophobicContact CB-CD 4.05Å; Q362-K389 HydrophobicContact CG-CB 4.13Å; Q362-K389 HydrophobicContact CG-CD 3.97Å; A386-K389 HydrophobicContact CB-CD 4.27Å; A386-K389 VanDerWaalsContact O-CB 3.27Å; A386-K389 WeakPolarHBondContact O-CB 3.5Å; A386-K389 PolarHBondContact O-N 2.99Å; L387-K389 PolarHBondContact O-N 3.21Å; K389-P391 WeakPolarHBondContact O-CD 3.49Å
390	H	98.7	Very high	98.6	Very high	29 Å²	29	41.1 Å²	41.1	13%	0.134	21%	0.208	C	C	.	.			trans	-123.1	79.2	-174.6	-72.1	-89.5	0	0	0	111.7	D367 L387 I388 V392 V393 K394	D367-H390 IonicContact OD2-CD2 2.78Å; D367-H390 IonicContact OD2-CE1 2.71Å; D367-H390 PolarHBondContact OD2-CE1 3.08Å; D367-H390 IonicContact OD2-NE2 2.91Å; D367-H390 PolarHBondContact OD2-NE2 3.24Å; L387-H390 PolarHBondContact O-N 2.69Å; I388-H390 PolarHBondContact O-N 3.13Å; H390-V392 VanDerWaalsContact C-N 3.28Å; H390-V392 PolarHBondContact O-N 3Å; H390-V392 VanDerWaalsContact O-N 3.17Å; H390-V393 HydrophobicContact CB-CB 3.71Å; H390-V393 HydrophobicContact CB-CG2 3.71Å; H390-V393 PolarHBondContact O-N 3.44Å; H390-K394 WeakPolarHBondContact O-CB 3.43Å; H390-K394 PolarHBondContact O-N 2.89Å
391	P	98.4	Very high	98.6	Very high	91 Å²	91	44.3 Å²	44.3	59%	0.591	23%	0.226	S	C	*	.	H	α-helix	trans	-60.2	-33.9	-172.1	22.2	-33.8	0	0	0	114	K389 N395	K389-P391 WeakPolarHBondContact O-CD 3.49Å; P391-N395 WeakPolarHBondContact O-CB 3.28Å; P391-N395 PolarHBondContact O-N 3.35Å; P391-N395 VanDerWaalsContact O-N 3.13Å
392	V	98.6	Very high	98.6	Very high	121 Å²	121	45.2 Å²	45.2	73%	0.733	23%	0.23	S	C	*	.	H	α-helix	trans	-67.7	-43.9	175.7	178.8	0	0	0	0	110.9	H390 N395 L396	H390-V392 VanDerWaalsContact C-N 3.28Å; H390-V392 PolarHBondContact O-N 3Å; H390-V392 VanDerWaalsContact O-N 3.17Å; V392-N395 PolarHBondContact O-N 3.09Å; V392-L396 WeakPolarHBondContact O-CB 3.43Å; V392-L396 PolarHBondContact O-N 2.93Å
393	V	98.7	Very high	98.6	Very high	8 Å²	8	45.2 Å²	45.2	5%	0.048	23%	0.23	C	C	.	.	H	α-helix	trans	-71.3	-43.9	-178.2	-170.4	0	0	0	0	110.7	V370 L371 L374 L387 H390 N395 L396 S397	V370-V393 HydrophobicContact CB-CG1 4.24Å; V370-V393 HydrophobicContact CG2-CB 4.48Å; V370-V393 HydrophobicContact CG2-CG1 3.88Å; L371-V393 HydrophobicContact CB-CG1 4.28Å; L371-V393 HydrophobicContact CB-CG2 3.92Å; L371-V393 HydrophobicContact CD1-CG2 4.21Å; L374-V393 HydrophobicContact CD1-CG1 3.65Å; L387-V393 HydrophobicContact CD1-CB 4.29Å; L387-V393 HydrophobicContact CD1-CG1 3.96Å; H390-V393 HydrophobicContact CB-CB 3.71Å; H390-V393 HydrophobicContact CB-CG2 3.71Å; H390-V393 PolarHBondContact O-N 3.44Å; V393-N395 VanDerWaalsContact C-N 3.34Å; V393-N395 PolarHBondContact O-N 3.44Å; V393-L396 WeakPolarHBondContact O-CB 3.5Å; V393-L396 PolarHBondContact O-N 2.9Å; V393-L396 VanDerWaalsContact O-N 3.09Å; V393-S397 PolarHBondContact O-N 2.79Å
394	K	98.8	Very high	98.6	Very high	39 Å²	39	45.2 Å²	45.2	17%	0.17	23%	0.23	C	C	.	.	H	α-helix	trans	-52.3	-50.7	171.7	-176	-178.9	68.9	164.1	0	111.3	L387 H390 L396 S397 L398 L428 E431 H433	L387-K394 HydrophobicContact CD1-CB 4.31Å; L387-K394 HydrophobicContact CG-CB 4.15Å; L387-K394 HydrophobicContact CG-CG 4.42Å; H390-K394 WeakPolarHBondContact O-CB 3.43Å; H390-K394 PolarHBondContact O-N 2.89Å; K394-L396 VanDerWaalsContact C-N 3.32Å; K394-L396 PolarHBondContact O-N 3.44Å; K394-S397 PolarHBondContact O-N 3.13Å; K394-L398 WeakPolarHBondContact O-CB 3.45Å; K394-L398 PolarHBondContact O-N 3.13Å; K394-L428 HydrophobicContact CD-CD2 3.53Å; K394-L428 HydrophobicContact CG-CD2 3.98Å; K394-E431 WeakPolarHBondContact CE-OE2 3.41Å; K394-E431 IonicContact NZ-OE1 2.69Å; K394-E431 PolarHBondContact NZ-OE1 2.68Å; K394-E431 IonicContact NZ-OE2 3.51Å; K394-E431 PolarHBondContact NZ-OE2 2.97Å; K394-H433 PolarHBondContact O-CE1 3.48Å
395	N	98.5	Very high	98.6	Very high	70 Å²	70	45.1 Å²	45.1	37%	0.374	23%	0.23	S	C	.	.	H	α-helix	trans	-65.8	-34.7	178.9	-171.6	33.1	0	0	0	112.4	P391 V392 V393 K399	P391-N395 WeakPolarHBondContact O-CB 3.28Å; P391-N395 PolarHBondContact O-N 3.35Å; P391-N395 VanDerWaalsContact O-N 3.13Å; V392-N395 PolarHBondContact O-N 3.09Å; V393-N395 VanDerWaalsContact C-N 3.34Å; V393-N395 PolarHBondContact O-N 3.44Å; N395-K399 WeakPolarHBondContact ND2-CE 3.36Å; N395-K399 PolarHBondContact ND2-NZ 3.27Å; N395-K399 WeakPolarHBondContact O-CB 2.88Å; N395-K399 VanDerWaalsContact O-CG 3.27Å; N395-K399 WeakPolarHBondContact O-CG 3.39Å; N395-K399 PolarHBondContact O-N 3.36Å; N395-K399 WeakPolarHBondContact OD1-CE 3.08Å
396	L	98.6	Very high	98.6	Very high	59 Å²	59	45 Å²	45	31%	0.309	23%	0.229	S	C	.	.	H	α-helix	trans	-65.5	-45.1	174.8	-177.8	61.5	0	0	0	111.5	L374 V392 V393 K394 K399 R400	L374-L396 HydrophobicContact CB-CD2 4.3Å; L374-L396 HydrophobicContact CD1-CB 4.17Å; L374-L396 HydrophobicContact CD1-CD2 4Å; L374-L396 HydrophobicContact CD1-CG 4.03Å; V392-L396 WeakPolarHBondContact O-CB 3.43Å; V392-L396 PolarHBondContact O-N 2.93Å; V393-L396 WeakPolarHBondContact O-CB 3.5Å; V393-L396 PolarHBondContact O-N 2.9Å; V393-L396 VanDerWaalsContact O-N 3.09Å; K394-L396 VanDerWaalsContact C-N 3.32Å; K394-L396 PolarHBondContact O-N 3.44Å; L396-K399 PolarHBondContact O-N 3.24Å; L396-R400 HydrophobicContact CD1-CG 4.21Å; L396-R400 WeakPolarHBondContact O-CB 3.46Å; L396-R400 WeakPolarHBondContact O-CG 3.37Å; L396-R400 PolarHBondContact O-N 3.5Å
397	S	98.7	Very high	98.6	Very high	0 Å²	0	45 Å²	45	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-59.3	-46.6	175.8	-155.1	0	0	0	0	111.2	V393 K394 R400 D401 I402	V393-S397 PolarHBondContact O-N 2.79Å; K394-S397 PolarHBondContact O-N 3.13Å; S397-R400 CarbonylContact O-C 3.57Å; S397-R400 PolarHBondContact O-N 3.34Å; S397-D401 PolarHBondContact O-N 3.4Å; S397-I402 PolarHBondContact O-N 3.35Å; S397-I402 PolarHBondContact OG-O 3.36Å
398	L	98.3	Very high	98.6	Very high	76 Å²	76	45 Å²	45	40%	0.398	23%	0.229	S	C	.	.	H	α-helix	trans	-58.7	-50.4	177.1	-178.8	62.5	0	0	0	111.8	K394 R400 D401 P434	K394-L398 WeakPolarHBondContact O-CB 3.45Å; K394-L398 PolarHBondContact O-N 3.13Å; L398-R400 PolarHBondContact O-N 3.1Å; L398-D401 PolarHBondContact O-N 3.03Å; L398-D401 VanDerWaalsContact O-N 3.1Å; L398-P434 HydrophobicContact CD1-CG 4.27Å
399	K	98.4	Very high	98.7	Very high	156 Å²	156	42 Å²	42	68%	0.678	21%	0.214	S	C	*	.	H	α-helix	trans	-62.8	-30	179.9	-77.3	174.5	178.5	176.1	0	113.3	N395 L396 D401	N395-K399 WeakPolarHBondContact ND2-CE 3.36Å; N395-K399 PolarHBondContact ND2-NZ 3.27Å; N395-K399 WeakPolarHBondContact O-CB 2.88Å; N395-K399 VanDerWaalsContact O-CG 3.27Å; N395-K399 WeakPolarHBondContact O-CG 3.39Å; N395-K399 PolarHBondContact O-N 3.36Å; N395-K399 WeakPolarHBondContact OD1-CE 3.08Å; L396-K399 PolarHBondContact O-N 3.24Å; K399-D401 VanDerWaalsContact C-N 3.35Å
400	R	98.4	Very high	98.7	Very high	90 Å²	90	39.7 Å²	39.7	34%	0.34	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91	0.1	179.1	-68.1	-178.7	65.5	172.8	2.8	113.2	L374 N377 L396 S397 L398 I402	L374-R400 PolarHBondContact O-NH1 2.95Å; N377-R400 PolarHBondContact OD1-NH2 3.22Å; L396-R400 HydrophobicContact CD1-CG 4.21Å; L396-R400 WeakPolarHBondContact O-CB 3.46Å; L396-R400 WeakPolarHBondContact O-CG 3.37Å; L396-R400 PolarHBondContact O-N 3.5Å; S397-R400 CarbonylContact O-C 3.57Å; S397-R400 PolarHBondContact O-N 3.34Å; L398-R400 PolarHBondContact O-N 3.1Å; R400-I402 HydrophobicContact CB-CG1 3.8Å; R400-I402 PolarHBondContact O-N 3.24Å
401	D	98.5	Very high	98.7	Very high	69 Å²	69	38.3 Å²	38.3	37%	0.369	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	55	37.5	-177.5	-160.9	39.8	0	0	0	112.4	S397 L398 K399 K480 Y481	S397-D401 PolarHBondContact O-N 3.4Å; L398-D401 PolarHBondContact O-N 3.03Å; L398-D401 VanDerWaalsContact O-N 3.1Å; K399-D401 VanDerWaalsContact C-N 3.35Å; D401-K480 IonicContact OD1-NZ 3.03Å; D401-K480 PolarHBondContact OD1-NZ 3.32Å; D401-K480 WeakPolarHBondContact OD2-CE 3.47Å; D401-K480 IonicContact OD2-NZ 2.66Å; D401-K480 PolarHBondContact OD2-NZ 3.35Å; D401-Y481 WeakPolarHBondContact O-CE1 3.43Å; D401-Y481 PolarHBondContact OD1-OH 3.08Å
402	I	98.8	Very high	98.7	Very high	20 Å²	20	34.1 Å²	34.1	10%	0.103	17%	0.17	C	C	.	.	P	Polyproline II helix	trans	-95.6	116.4	177.3	-57.1	-56.7	0	0	0	108.5	L374 T378 I381 S397 R400	L374-I402 HydrophobicContact CD2-CB 4.07Å; L374-I402 HydrophobicContact CD2-CG1 4.11Å; L374-I402 HydrophobicContact CD2-CG2 3.98Å; T378-I402 HydrophobicContact CG2-CG2 4.16Å; T378-I402 WeakPolarHBondContact O-CD1 3.16Å; I381-I402 HydrophobicContact CD1-CG2 4.42Å; I381-I402 HydrophobicContact CG1-CG2 4.24Å; S397-I402 PolarHBondContact O-N 3.35Å; S397-I402 PolarHBondContact OG-O 3.36Å; R400-I402 HydrophobicContact CB-CG1 3.8Å; R400-I402 PolarHBondContact O-N 3.24Å
403	P	98.9	Very high	98.7	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	14%	0.135	C	C	.	.	P	Polyproline II helix	trans	-83.7	158.7	-178	37.7	-40	0	0	0	112.6	R380 I381 P434 Y481	R380-P403 HydrophobicContact CB-CG 4.2Å; R380-P403 HydrophobicContact CG-CG 3.69Å; I381-P403 PolarHBondContact N-O 3.07Å; P403-P434 WeakPolarHBondContact CA-O 3.46Å; P403-P434 HydrophobicContact CB-CB 3.86Å; P403-P434 WeakPolarHBondContact CB-O 3.3Å; P403-Y481 HydrophobicContact CB-CD1 4.34Å; P403-Y481 HydrophobicContact CB-CD2 3.92Å; P403-Y481 HydrophobicContact CB-CE2 4.09Å; P403-Y481 HydrophobicContact CB-CG 4.06Å; P403-Y481 HydrophobicContact CG-CD1 3.76Å; P403-Y481 HydrophobicContact CG-CD2 3.93Å; P403-Y481 HydrophobicContact CG-CE1 4.33Å; P403-Y481 HydrophobicContact CG-CE2 4.47Å; P403-Y481 HydrophobicContact CG-CG 3.55Å
404	I	98.9	Very high	98.7	Very high	2 Å²	2	28 Å²	28	1%	0.01	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	147.4	160.4	63.9	164.6	0	0	0	110.6	I381 L387 V406 L428 P434 I435 V436	I381-I404 HydrophobicContact CB-CG2 4.1Å; I381-I404 HydrophobicContact CG2-CG2 4.23Å; I381-I404 CarbonylContact O-C 3.24Å; I381-I404 VanDerWaalsContact O-CA 3.29Å; I381-I404 WeakPolarHBondContact O-CA 2.9Å; L387-I404 HydrophobicContact CD2-CG2 3.66Å; I404-V406 HydrophobicContact CD1-CG2 3.64Å; I404-V406 HydrophobicContact CG1-CG2 3.94Å; I404-L428 HydrophobicContact CD1-CD1 3.33Å; I404-L428 HydrophobicContact CG1-CD1 4.4Å; I404-P434 PolarHBondContact N-O 2.88Å; I404-P434 VanDerWaalsContact N-O 3.16Å; I404-I435 HydrophobicContact CD1-CD1 4.5Å; I404-I435 HydrophobicContact CD1-CG1 4.12Å; I404-I435 HydrophobicContact CG1-CG1 3.7Å; I404-V436 PolarHBondContact O-N 3.08Å
405	E	98.9	Very high	98.7	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	102.8	175	-60.3	163.3	149.6	0	0	108.6	H109 R245 R380 I381 G382 H383 V436	H109-E405 HydrophobicContact CB-CB 3.89Å; H109-E405 HydrophobicContact CB-CG 4.29Å; H109-E405 IonicContact CE1-OE2 3.33Å; H109-E405 IonicContact CG-OE2 3.54Å; H109-E405 IonicContact ND1-OE2 3.68Å; H109-E405 PolarHBondContact ND1-OE2 3.29Å; R245-E405 IonicContact CZ-OE1 2.75Å; R245-E405 IonicContact CZ-OE2 3.56Å; R245-E405 IonicContact NH1-OE1 2.66Å; R245-E405 IonicContact NH2-OE1 3.74Å; R245-E405 PolarHBondContact NH2-OE1 2.97Å; R245-E405 IonicContact NH2-OE2 2.62Å; R245-E405 PolarHBondContact NH2-OE2 2.62Å; R380-E405 HydrophobicContact CB-CG 4.35Å; R380-E405 IonicContact CZ-OE1 3.34Å; R380-E405 IonicContact NE-OE1 2.7Å; R380-E405 PolarHBondContact NE-OE1 3.22Å; R380-E405 IonicContact NH2-OE1 3.83Å; R380-E405 PolarHBondContact NH2-OE1 3.08Å; I381-E405 PolarHBondContact O-N 2.88Å; G382-E405 VanDerWaalsContact CA-OE2 3.28Å; G382-E405 WeakPolarHBondContact CA-OE2 3.41Å; H383-E405 WeakPolarHBondContact CA-O 2.95Å; H383-E405 PolarHBondContact N-O 3.1Å; E405-V436 HydrophobicContact CB-CG2 4.06Å; E405-V436 HydrophobicContact CG-CG2 3.62Å
406	V	98.9	Very high	98.7	Very high	2 Å²	2	26 Å²	26	1%	0.012	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	122.5	-174.3	177.4	0	0	0	0	110	I404 A425 I435 V436 I437 S438	I404-V406 HydrophobicContact CD1-CG2 3.64Å; I404-V406 HydrophobicContact CG1-CG2 3.94Å; V406-A425 HydrophobicContact CG1-CB 4.07Å; V406-A425 HydrophobicContact CG2-CB 3.89Å; V406-I435 HydrophobicContact CB-CG2 4.23Å; V406-I435 HydrophobicContact CG2-CG1 4.36Å; V406-I435 HydrophobicContact CG2-CG2 3.67Å; V406-V436 PolarHBondContact N-O 2.72Å; V406-I437 HydrophobicContact CB-CD1 3.96Å; V406-I437 HydrophobicContact CG1-CD1 4.36Å; V406-S438 PolarHBondContact O-N 2.54Å; V406-S438 VanDerWaalsContact O-N 3.09Å
407	C	98.9	Very high	98.7	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	11%	0.113	C	C	.	.			trans	-123.3	74.6	-176.5	-52.8	0	0	0	0	109.9	I409 S410 N411 S438 D440	C407-I409 PolarHBondContact O-N 3.5Å; C407-S410 WeakPolarHBondContact O-CB 3.3Å; C407-S410 PolarHBondContact O-N 3.42Å; C407-N411 PolarHBondContact O-N 3.21Å; C407-N411 PolarHBondContact O-OD1 2.75Å; C407-S438 VanDerWaalsContact CA-O 3.31Å; C407-S438 WeakPolarHBondContact CA-O 3.22Å; C407-D440 HydrophobicContact CB-CB 3.84Å
408	P	98.9	Very high	98.6	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-63.3	-39.6	-164.1	28.6	-38.3	0	0	0	113.5	N411 Q412 L420 D453 E456 V457 I461	P408-N411 PolarHBondContact O-N 3.2Å; P408-Q412 PolarHBondContact O-N 3.35Å; P408-L420 HydrophobicContact CB-CD1 4.34Å; P408-L420 HydrophobicContact CB-CD2 4.3Å; P408-D453 VanDerWaalsContact CD-OD1 3.28Å; P408-D453 WeakPolarHBondContact CD-OD1 3.48Å; P408-D453 HydrophobicContact CG-CB 3.74Å; P408-D453 WeakPolarHBondContact CG-OD1 3.24Å; P408-E456 HydrophobicContact CB-CB 4.09Å; P408-E456 HydrophobicContact CG-CB 3.97Å; P408-V457 HydrophobicContact CG-CG2 4.07Å; P408-I461 HydrophobicContact CB-CD1 3.77Å
409	I	98.9	Very high	98.6	Very high	1 Å²	1	25.8 Å²	25.8	1%	0.005	14%	0.135	C	C	.	.	H	α-helix	trans	-68.5	-41.7	-179.6	-64.9	171.4	0	0	0	110.1	F83 C407 N411 Q412 V413 F445 Y452 D453 E456	F83-I409 HydrophobicContact CB-CG2 4.16Å; F83-I409 HydrophobicContact CD1-CG2 3.73Å; F83-I409 HydrophobicContact CD2-CD1 3.89Å; F83-I409 HydrophobicContact CD2-CG1 4.05Å; F83-I409 HydrophobicContact CD2-CG2 4.26Å; F83-I409 HydrophobicContact CE1-CD1 4.45Å; F83-I409 HydrophobicContact CE1-CG2 4.19Å; F83-I409 HydrophobicContact CE2-CD1 3.58Å; F83-I409 HydrophobicContact CE2-CG1 4.27Å; F83-I409 HydrophobicContact CG-CD1 4.45Å; F83-I409 HydrophobicContact CG-CG1 4.4Å; F83-I409 HydrophobicContact CG-CG2 3.78Å; F83-I409 HydrophobicContact CZ-CD1 3.9Å; C407-I409 PolarHBondContact O-N 3.5Å; I409-N411 PolarHBondContact O-N 2.79Å; I409-Q412 PolarHBondContact O-N 3.22Å; I409-V413 HydrophobicContact CG2-CG2 4.06Å; I409-V413 WeakPolarHBondContact O-CB 3.43Å; I409-V413 VanDerWaalsContact O-CG2 3.32Å; I409-V413 WeakPolarHBondContact O-CG2 3.47Å; I409-V413 PolarHBondContact O-N 2.81Å; I409-F445 HydrophobicContact CG2-CB 3.86Å; I409-F445 HydrophobicContact CG2-CD2 3.95Å; I409-F445 HydrophobicContact CG2-CG 4.13Å; I409-Y452 VanDerWaalsContact CD1-CB 3.47Å; I409-D453 WeakPolarHBondContact CG1-OD1 3.33Å; I409-D453 PolarHBondContact N-OD1 3.15Å; I409-E456 HydrophobicContact CD1-CG 4.28Å; I409-E456 HydrophobicContact CG1-CG 3.84Å
410	S	98.9	Very high	98.7	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-55.8	-50.9	173.4	-175.4	0	0	0	0	110.7	C407 Q412 V413 L414 D440	C407-S410 WeakPolarHBondContact O-CB 3.3Å; C407-S410 PolarHBondContact O-N 3.42Å; S410-Q412 VanDerWaalsContact C-N 3.3Å; S410-Q412 PolarHBondContact O-N 2.94Å; S410-V413 PolarHBondContact O-N 2.79Å; S410-L414 VanDerWaalsContact O-CB 3.31Å; S410-L414 WeakPolarHBondContact O-CB 3.46Å; S410-L414 WeakPolarHBondContact O-CG 3.3Å; S410-L414 PolarHBondContact O-N 2.91Å; S410-D440 VanDerWaalsContact CB-OD2 3.23Å; S410-D440 WeakPolarHBondContact CB-OD2 3.42Å; S410-D440 PolarHBondContact OG-OD2 3.47Å
411	N	98.9	Very high	98.7	Very high	1 Å²	1	20.3 Å²	20.3	1%	0.005	11%	0.11	C	C	.	.	H	α-helix	trans	-62.9	-33.2	-179	-61	147.1	0	0	0	113.4	H383 C407 P408 I409 L416 V417 H423	H383-N411 PolarHBondContact ND1-ND2 3.13Å; C407-N411 PolarHBondContact O-N 3.21Å; C407-N411 PolarHBondContact O-OD1 2.75Å; P408-N411 PolarHBondContact O-N 3.2Å; I409-N411 PolarHBondContact O-N 2.79Å; N411-L416 HydrophobicContact CB-CB 4.49Å; N411-L416 HydrophobicContact CB-CD1 4.42Å; N411-L416 WeakPolarHBondContact O-CB 3.31Å; N411-L416 PolarHBondContact O-N 3.29Å; N411-V417 PolarHBondContact O-N 2.87Å; N411-H423 PolarHBondContact OD1-NE2 3.41Å
412	Q	98.8	Very high	98.7	Very high	3 Å²	3	22.8 Å²	22.8	1%	0.014	12%	0.124	C	C	.	.	H	α-helix	trans	-73.6	-50	174	-175.9	-176.6	69.1	0	0	112.3	M81 P408 I409 S410 L414 L415 V417 A418 L420	M81-Q412 PolarHBondContact O-NE2 3.14Å; M81-Q412 PolarHBondContact O-OE1 3.19Å; P408-Q412 PolarHBondContact O-N 3.35Å; I409-Q412 PolarHBondContact O-N 3.22Å; S410-Q412 VanDerWaalsContact C-N 3.3Å; S410-Q412 PolarHBondContact O-N 2.94Å; Q412-L414 VanDerWaalsContact C-N 3.3Å; Q412-L414 PolarHBondContact O-N 3.14Å; Q412-L415 PolarHBondContact O-N 3.43Å; Q412-V417 VanDerWaalsContact CA-O 3.29Å; Q412-V417 WeakPolarHBondContact CA-O 3.47Å; Q412-V417 WeakPolarHBondContact CB-O 3.48Å; Q412-V417 WeakPolarHBondContact CG-O 3.43Å; Q412-A418 PolarHBondContact NE2-O 3.1Å; Q412-L420 HydrophobicContact CB-CD1 4.48Å; Q412-L420 HydrophobicContact CB-CD2 4.06Å; Q412-L420 HydrophobicContact CB-CG 4.34Å
413	V	98.8	Very high	98.7	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-62.2	-40.8	-177.3	171.3	0	0	0	0	110.4	F83 F84 L187 I202 I409 S410 L415 F445	F83-V413 HydrophobicContact CB-CG2 4.41Å; F84-V413 HydrophobicContact CE1-CG1 4.12Å; F84-V413 HydrophobicContact CE1-CG2 3.7Å; F84-V413 HydrophobicContact CZ-CB 4.47Å; F84-V413 HydrophobicContact CZ-CG1 3.62Å; F84-V413 HydrophobicContact CZ-CG2 3.99Å; L187-V413 HydrophobicContact CD1-CG1 3.86Å; I202-V413 HydrophobicContact CD1-CG1 4.22Å; I202-V413 WeakPolarHBondContact CD1-O 3.19Å; I409-V413 HydrophobicContact CG2-CG2 4.06Å; I409-V413 WeakPolarHBondContact O-CB 3.43Å; I409-V413 VanDerWaalsContact O-CG2 3.32Å; I409-V413 WeakPolarHBondContact O-CG2 3.47Å; I409-V413 PolarHBondContact O-N 2.81Å; S410-V413 PolarHBondContact O-N 2.79Å; V413-L415 PolarHBondContact O-N 2.86Å; V413-L415 VanDerWaalsContact O-N 3.16Å; V413-F445 HydrophobicContact CB-CD1 4.01Å; V413-F445 HydrophobicContact CB-CE1 4.32Å; V413-F445 HydrophobicContact CG1-CD1 3.69Å; V413-F445 HydrophobicContact CG1-CE1 4.05Å; V413-F445 HydrophobicContact CG2-CB 4.27Å; V413-F445 HydrophobicContact CG2-CD1 4.2Å; V413-F445 HydrophobicContact CG2-CG 4.29Å
414	L	98.6	Very high	98.6	Very high	1 Å²	1	23.2 Å²	23.2	1%	0.005	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79	13.8	177.1	-58.7	-179.3	0	0	0	113.7	L187 I202 W203 F206 S410 Q412 L416	L187-L414 HydrophobicContact CD1-CD2 4.44Å; I202-L414 HydrophobicContact CG1-CD2 4.35Å; W203-L414 HydrophobicContact CH2-CD1 4.35Å; W203-L414 HydrophobicContact CZ2-CD1 3.86Å; F206-L414 HydrophobicContact CD1-CD2 4.23Å; F206-L414 HydrophobicContact CE1-CD1 4.35Å; F206-L414 HydrophobicContact CG-CD2 4.22Å; S410-L414 VanDerWaalsContact O-CB 3.31Å; S410-L414 WeakPolarHBondContact O-CB 3.46Å; S410-L414 WeakPolarHBondContact O-CG 3.3Å; S410-L414 PolarHBondContact O-N 2.91Å; Q412-L414 VanDerWaalsContact C-N 3.3Å; Q412-L414 PolarHBondContact O-N 3.14Å; L414-L416 PolarHBondContact O-N 3.44Å
415	L	98.4	Very high	98.6	Very high	51 Å²	51	23.3 Å²	23.3	27%	0.267	13%	0.128	S	C	.	.	T	Hydrogen-bonded Turn	trans	65.4	29.6	169.5	-49	174.5	0	0	0	115.2	Y196 Q199 I202 Q412 V413	Y196-L415 WeakPolarHBondContact O-CD1 3.36Å; Q199-L415 HydrophobicContact CG-CB 3.91Å; Q199-L415 PolarHBondContact NE2-O 3.44Å; I202-L415 HydrophobicContact CG2-CD1 4.03Å; I202-L415 HydrophobicContact CG2-CG 4.3Å; Q412-L415 PolarHBondContact O-N 3.43Å; V413-L415 PolarHBondContact O-N 2.86Å; V413-L415 VanDerWaalsContact O-N 3.16Å
416	L	98.5	Very high	98.6	Very high	15 Å²	15	24.6 Å²	24.6	8%	0.079	14%	0.139	C	C	.	.	S	Bend	trans	-89	-36.7	174	-64.5	156.4	0	0	0	111.5	E358 D360 L385 N411 L414	E358-L416 HydrophobicContact CG-CD1 3.63Å; D360-L416 VanDerWaalsContact OD1-O 3.07Å; L385-L416 HydrophobicContact CD2-CB 3.65Å; L385-L416 HydrophobicContact CD2-CD1 4.02Å; L385-L416 HydrophobicContact CD2-CD2 4.13Å; L385-L416 HydrophobicContact CD2-CG 4.15Å; N411-L416 HydrophobicContact CB-CB 4.49Å; N411-L416 HydrophobicContact CB-CD1 4.42Å; N411-L416 WeakPolarHBondContact O-CB 3.31Å; N411-L416 PolarHBondContact O-N 3.29Å; L414-L416 PolarHBondContact O-N 3.44Å
417	V	97.8	Very high	98.6	Very high	14 Å²	14	27.4 Å²	27.4	9%	0.085	16%	0.159	C	C	.	.			trans	-138.9	108.1	179	-177.4	0	0	0	0	110.4	L385 N411 Q412 D419 L420 H423	L385-V417 HydrophobicContact CD1-CG2 4.26Å; L385-V417 HydrophobicContact CD2-CG2 4.49Å; N411-V417 PolarHBondContact O-N 2.87Å; Q412-V417 VanDerWaalsContact CA-O 3.29Å; Q412-V417 WeakPolarHBondContact CA-O 3.47Å; Q412-V417 WeakPolarHBondContact CB-O 3.48Å; Q412-V417 WeakPolarHBondContact CG-O 3.43Å; V417-D419 VanDerWaalsContact CG1-O 3.28Å; V417-D419 WeakPolarHBondContact CG1-O 3.26Å; V417-L420 HydrophobicContact CG1-CD2 4.35Å; V417-H423 HydrophobicContact CG1-CB 4.35Å
418	A	97.7	Very high	98.6	Very high	85 Å²	85	27.5 Å²	27.5	70%	0.702	16%	0.159	S	C	*	.	S	Bend	trans	-69.5	-45.1	-178.2	0	0	0	0	0	113.5	Q412	Q412-A418 PolarHBondContact NE2-O 3.1Å
419	D	98.6	Very high	98.6	Very high	31 Å²	31	27.8 Å²	27.8	17%	0.166	16%	0.161	C	C	.	.	S	Bend	trans	-112.8	113.8	178.3	177.6	-11.5	0	0	0	108.9	S80 V417 R421 N422	S80-D419 WeakPolarHBondContact CA-OD1 3.44Å; S80-D419 WeakPolarHBondContact CB-OD1 3.5Å; V417-D419 VanDerWaalsContact CG1-O 3.28Å; V417-D419 WeakPolarHBondContact CG1-O 3.26Å; D419-R421 PolarHBondContact O-N 2.93Å; D419-R421 VanDerWaalsContact O-N 3.07Å; D419-R421 VanDerWaalsContact OD1-CB 3.29Å; D419-R421 WeakPolarHBondContact OD1-CB 3.35Å; D419-R421 WeakPolarHBondContact OD1-CG 3.41Å; D419-R421 IonicContact OD1-CZ 3.29Å; D419-R421 PolarHBondContact OD1-N 3.42Å; D419-R421 IonicContact OD1-NE 3.35Å; D419-R421 PolarHBondContact OD1-NE 2.72Å; D419-R421 IonicContact OD1-NH2 3.5Å; D419-R421 IonicContact OD2-CZ 2.72Å; D419-R421 VanDerWaalsContact OD2-CZ 3.24Å; D419-R421 IonicContact OD2-NE 3.9Å; D419-R421 PolarHBondContact OD2-NE 2.91Å; D419-R421 IonicContact OD2-NH2 3.54Å; D419-R421 PolarHBondContact OD2-NH2 3.13Å; D419-N422 WeakPolarHBondContact O-CB 3.42Å; D419-N422 PolarHBondContact O-N 3.35Å
420	L	98.8	Very high	98.5	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	18%	0.184	C	C	.	.	G	3₁₀ helix	trans	-67.4	-10.7	-172.6	-67.8	174.1	0	0	0	113.6	P79 P408 Q412 V417 N422 H423 E456 A460	P79-L420 HydrophobicContact CB-CB 4.38Å; P79-L420 WeakPolarHBondContact O-CB 3.47Å; P79-L420 PolarHBondContact O-N 3Å; P408-L420 HydrophobicContact CB-CD1 4.34Å; P408-L420 HydrophobicContact CB-CD2 4.3Å; Q412-L420 HydrophobicContact CB-CD1 4.48Å; Q412-L420 HydrophobicContact CB-CD2 4.06Å; Q412-L420 HydrophobicContact CB-CG 4.34Å; V417-L420 HydrophobicContact CG1-CD2 4.35Å; L420-N422 PolarHBondContact O-N 3.05Å; L420-H423 HydrophobicContact CD2-CB 4.47Å; L420-H423 WeakPolarHBondContact O-CB 3.2Å; L420-H423 PolarHBondContact O-N 3.27Å; L420-H423 VanDerWaalsContact O-N 3.14Å; L420-E456 HydrophobicContact CD1-CB 3.87Å; L420-E456 HydrophobicContact CD1-CG 3.8Å; L420-A460 HydrophobicContact CB-CB 4.36Å
421	R	98.5	Very high	98.4	Very high	131 Å²	131	35 Å²	35	49%	0.494	21%	0.205	S	C	.	.	G	3₁₀ helix	trans	-64.2	-23.5	167.1	-62.3	176.4	-68.2	-174.4	1.4	112.6	F77 D419 A460	F77-R421 HydrophobicContact CD1-CG 4.3Å; F77-R421 HydrophobicContact CE1-CG 3.79Å; D419-R421 PolarHBondContact O-N 2.93Å; D419-R421 VanDerWaalsContact O-N 3.07Å; D419-R421 VanDerWaalsContact OD1-CB 3.29Å; D419-R421 WeakPolarHBondContact OD1-CB 3.35Å; D419-R421 WeakPolarHBondContact OD1-CG 3.41Å; D419-R421 IonicContact OD1-CZ 3.29Å; D419-R421 PolarHBondContact OD1-N 3.42Å; D419-R421 IonicContact OD1-NE 3.35Å; D419-R421 PolarHBondContact OD1-NE 2.72Å; D419-R421 IonicContact OD1-NH2 3.5Å; D419-R421 IonicContact OD2-CZ 2.72Å; D419-R421 VanDerWaalsContact OD2-CZ 3.24Å; D419-R421 IonicContact OD2-NE 3.9Å; D419-R421 PolarHBondContact OD2-NE 2.91Å; D419-R421 IonicContact OD2-NH2 3.54Å; D419-R421 PolarHBondContact OD2-NH2 3.13Å; R421-A460 HydrophobicContact CG-CB 3.98Å
422	N	98.8	Very high	98.3	Very high	122 Å²	122	36.5 Å²	36.5	65%	0.652	22%	0.22	S	C	*	.	G	3₁₀ helix	trans	-94	7.3	176.4	-60.4	-54.7	0	0	0	112.9	D419 L420	D419-N422 WeakPolarHBondContact O-CB 3.42Å; D419-N422 PolarHBondContact O-N 3.35Å; L420-N422 PolarHBondContact O-N 3.05Å
423	H	98.8	Very high	98.3	Very high	5 Å²	5	36.5 Å²	36.5	2%	0.023	22%	0.22	C	C	.	.			trans	-63.5	129.7	-177.9	-167.8	-80.6	0	0	0	111	L385 N411 V417 L420 A425 A426 I461	L385-H423 WeakPolarHBondContact CD1-NE2 3.34Å; N411-H423 PolarHBondContact OD1-NE2 3.41Å; V417-H423 HydrophobicContact CG1-CB 4.35Å; L420-H423 HydrophobicContact CD2-CB 4.47Å; L420-H423 WeakPolarHBondContact O-CB 3.2Å; L420-H423 PolarHBondContact O-N 3.27Å; L420-H423 VanDerWaalsContact O-N 3.14Å; H423-A425 VanDerWaalsContact ND1-CB 3.27Å; H423-A425 WeakPolarHBondContact ND1-CB 2.99Å; H423-A425 PolarHBondContact ND1-N 2.77Å; H423-A425 VanDerWaalsContact ND1-N 3.17Å; H423-A425 PolarHBondContact O-N 2.87Å; H423-A426 VanDerWaalsContact O-CB 3.28Å; H423-A426 WeakPolarHBondContact O-CB 3.42Å; H423-A426 PolarHBondContact O-N 3.02Å; H423-I461 HydrophobicContact CB-CD1 3.86Å; H423-I461 HydrophobicContact CB-CG1 3.92Å
424	P	98.3	Very high	98.3	Very high	24 Å²	24	36.9 Å²	36.9	16%	0.156	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.4	-29.4	-176.4	-30	36.6	0	0	0	115	L385 I388 A426 S427	L385-P424 HydrophobicContact CD1-CG 3.89Å; L385-P424 HydrophobicContact CG-CG 4.12Å; L385-P424 WeakPolarHBondContact O-CB 3.41Å; I388-P424 HydrophobicContact CG1-CB 4.06Å; I388-P424 HydrophobicContact CG2-CB 3.91Å; I388-P424 WeakPolarHBondContact CG2-O 3.4Å; P424-A426 PolarHBondContact O-N 3.08Å; P424-A426 VanDerWaalsContact O-N 3.11Å; P424-S427 PolarHBondContact O-N 3.39Å
425	A	98.6	Very high	98.3	Very high	3 Å²	3	36.8 Å²	36.8	3%	0.025	22%	0.222	C	C	.	.	H	α-helix	trans	-60.4	-18.1	175.7	0	0	0	0	0	113.8	V406 H423 S427 L428 M429 I461	V406-A425 HydrophobicContact CG1-CB 4.07Å; V406-A425 HydrophobicContact CG2-CB 3.89Å; H423-A425 VanDerWaalsContact ND1-CB 3.27Å; H423-A425 WeakPolarHBondContact ND1-CB 2.99Å; H423-A425 PolarHBondContact ND1-N 2.77Å; H423-A425 VanDerWaalsContact ND1-N 3.17Å; H423-A425 PolarHBondContact O-N 2.87Å; A425-S427 VanDerWaalsContact C-N 3.35Å; A425-S427 PolarHBondContact O-N 2.86Å; A425-L428 PolarHBondContact O-N 3.39Å; A425-M429 WeakPolarHBondContact O-CB 3.29Å; A425-M429 WeakPolarHBondContact O-CG 3.47Å; A425-M429 PolarHBondContact O-N 3.14Å; A425-I461 HydrophobicContact CB-CG2 3.87Å
426	A	98.7	Very high	98.3	Very high	27 Å²	27	34.4 Å²	34.4	22%	0.223	21%	0.209	C	C	.	.	H	α-helix	trans	-59.2	-44.9	175.6	0	0	0	0	0	111.8	H423 P424 L428 M429 A430 I461	H423-A426 VanDerWaalsContact O-CB 3.28Å; H423-A426 WeakPolarHBondContact O-CB 3.42Å; H423-A426 PolarHBondContact O-N 3.02Å; P424-A426 PolarHBondContact O-N 3.08Å; P424-A426 VanDerWaalsContact O-N 3.11Å; A426-L428 VanDerWaalsContact C-N 3.34Å; A426-L428 PolarHBondContact O-N 3.45Å; A426-M429 PolarHBondContact O-N 3.43Å; A426-A430 PolarHBondContact O-N 2.89Å; A426-I461 VanDerWaalsContact CA-O 3.32Å; A426-I461 WeakPolarHBondContact CA-O 3.32Å; A426-I461 HydrophobicContact CB-CG2 4.1Å; A426-I461 VanDerWaalsContact CB-O 3.25Å; A426-I461 WeakPolarHBondContact CB-O 3.48Å
427	S	98.2	Very high	98.3	Very high	62 Å²	62	33.8 Å²	33.8	43%	0.434	21%	0.206	S	C	.	.	H	α-helix	trans	-66	-38.1	175.6	-57.6	0	0	0	0	112	P424 A425 A430 E431	P424-S427 PolarHBondContact O-N 3.39Å; A425-S427 VanDerWaalsContact C-N 3.35Å; A425-S427 PolarHBondContact O-N 2.86Å; S427-A430 PolarHBondContact O-N 3.38Å; S427-E431 WeakPolarHBondContact O-CG 3.35Å; S427-E431 PolarHBondContact O-N 3.45Å; S427-E431 VanDerWaalsContact O-N 3.17Å
428	L	98.6	Very high	98.4	Very high	1 Å²	1	33.1 Å²	33.1	1%	0.005	20%	0.202	C	C	.	.	H	α-helix	trans	-67	-38.7	177.8	-64.5	177.5	0	0	0	111.8	L387 I388 K394 I404 A425 A426 E431 G432 H433 I435	L387-L428 HydrophobicContact CD2-CD1 4.38Å; I388-L428 HydrophobicContact CG2-CD1 3.94Å; I388-L428 HydrophobicContact CG2-CD2 3.97Å; I388-L428 HydrophobicContact CG2-CG 3.7Å; K394-L428 HydrophobicContact CD-CD2 3.53Å; K394-L428 HydrophobicContact CG-CD2 3.98Å; I404-L428 HydrophobicContact CD1-CD1 3.33Å; I404-L428 HydrophobicContact CG1-CD1 4.4Å; A425-L428 PolarHBondContact O-N 3.39Å; A426-L428 VanDerWaalsContact C-N 3.34Å; A426-L428 PolarHBondContact O-N 3.45Å; L428-E431 PolarHBondContact O-N 3.22Å; L428-G432 PolarHBondContact O-N 3.05Å; L428-G432 VanDerWaalsContact O-N 3.16Å; L428-H433 HydrophobicContact CB-CB 3.86Å; L428-H433 HydrophobicContact CD2-CB 4.15Å; L428-H433 VanDerWaalsContact O-CB 3.28Å; L428-H433 WeakPolarHBondContact O-CB 3.48Å; L428-H433 PolarHBondContact O-N 3.23Å; L428-I435 HydrophobicContact CB-CD1 3.76Å
429	M	98.6	Very high	98.4	Very high	7 Å²	7	29.1 Å²	29.1	3%	0.034	17%	0.169	C	C	.	.	H	α-helix	trans	-68.1	-38.2	174.8	-73.1	-176.1	67.9	0	0	112.2	Q42 T43 A425 A426 E431 G432 I435 V457 I461 T470 L474	Q42-M429 CarbonylContact C-O 3.48Å; Q42-M429 WeakPolarHBondContact CA-O 3.44Å; T43-M429 PolarHBondContact N-O 3.44Å; T43-M429 WeakPolarHBondContact OG1-CA 3.48Å; T43-M429 PolarHBondContact OG1-O 3.29Å; A425-M429 WeakPolarHBondContact O-CB 3.29Å; A425-M429 WeakPolarHBondContact O-CG 3.47Å; A425-M429 PolarHBondContact O-N 3.14Å; A426-M429 PolarHBondContact O-N 3.43Å; M429-E431 PolarHBondContact O-N 3.49Å; M429-G432 PolarHBondContact O-N 2.97Å; M429-G432 VanDerWaalsContact O-N 3.14Å; M429-I435 HydrophobicContact CG-CD1 3.67Å; M429-V457 HydrophobicContact CE-CG1 3.83Å; M429-V457 HydrophobicContact SD-CG1 3.78Å; M429-I461 HydrophobicContact SD-CB 4.36Å; M429-I461 HydrophobicContact SD-CG2 3.78Å; M429-T470 HydrophobicContact CE-CG2 3.54Å; M429-L474 HydrophobicContact CE-CD1 4.39Å
430	A	98.1	Very high	98.4	Very high	59 Å²	59	27.9 Å²	27.9	49%	0.488	16%	0.162	S	C	.	.	H	α-helix	trans	-63.3	-28.9	174.9	0	0	0	0	0	112.7	H41 Q42 A426 S427	H41-A430 CarbonylContact C-O 3.58Å; Q42-A430 WeakPolarHBondContact CA-O 3.47Å; Q42-A430 PolarHBondContact N-O 3.41Å; A426-A430 PolarHBondContact O-N 2.89Å; S427-A430 PolarHBondContact O-N 3.38Å
431	E	96.2	Very high	98.4	Very high	94 Å²	94	28 Å²	28	44%	0.439	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.2	-0.5	176.2	-66.1	175	-166.1	0	0	113.8	H41 K394 S427 L428 M429 H433	H41-E431 CarbonylContact O-C 3.6Å; K394-E431 WeakPolarHBondContact CE-OE2 3.41Å; K394-E431 IonicContact NZ-OE1 2.69Å; K394-E431 PolarHBondContact NZ-OE1 2.68Å; K394-E431 IonicContact NZ-OE2 3.51Å; K394-E431 PolarHBondContact NZ-OE2 2.97Å; S427-E431 WeakPolarHBondContact O-CG 3.35Å; S427-E431 PolarHBondContact O-N 3.45Å; S427-E431 VanDerWaalsContact O-N 3.17Å; L428-E431 PolarHBondContact O-N 3.22Å; M429-E431 PolarHBondContact O-N 3.49Å; E431-H433 VanDerWaalsContact C-N 3.28Å; E431-H433 PolarHBondContact O-N 3.28Å
432	G	97.2	Very high	98.4	Very high	32 Å²	32	22 Å²	22	33%	0.33	14%	0.141	S	C	.	.	T	Hydrogen-bonded Turn	trans	67.1	27.2	-178.7	0	0	0	0	0	113.9	H41 L428 M429	H41-G432 WeakPolarHBondContact O-CA 3.45Å; H41-G432 PolarHBondContact O-N 3.07Å; L428-G432 PolarHBondContact O-N 3.05Å; L428-G432 VanDerWaalsContact O-N 3.16Å; M429-G432 PolarHBondContact O-N 2.97Å; M429-G432 VanDerWaalsContact O-N 3.14Å
433	H	98.7	Very high	98.4	Very high	2 Å²	2	16.4 Å²	16.4	1%	0.009	11%	0.111	C	C	.	.			trans	-60.9	144.9	178.9	-160	85.3	0	0	0	111.4	K394 L428 E431 I435	K394-H433 PolarHBondContact O-CE1 3.48Å; L428-H433 HydrophobicContact CB-CB 3.86Å; L428-H433 HydrophobicContact CD2-CB 4.15Å; L428-H433 VanDerWaalsContact O-CB 3.28Å; L428-H433 WeakPolarHBondContact O-CB 3.48Å; L428-H433 PolarHBondContact O-N 3.23Å; E431-H433 VanDerWaalsContact C-N 3.28Å; E431-H433 PolarHBondContact O-N 3.28Å; H433-I435 PolarHBondContact O-N 3.27Å
434	P	98.5	Very high	98.4	Very high	8 Å²	8	16.4 Å²	16.4	5%	0.052	11%	0.111	C	C	.	.			trans	-53.9	110.9	172.5	-31.6	39.1	0	0	0	112.8	L398 P403 I404 Y481	L398-P434 HydrophobicContact CD1-CG 4.27Å; P403-P434 WeakPolarHBondContact CA-O 3.46Å; P403-P434 HydrophobicContact CB-CB 3.86Å; P403-P434 WeakPolarHBondContact CB-O 3.3Å; I404-P434 PolarHBondContact N-O 2.88Å; I404-P434 VanDerWaalsContact N-O 3.16Å; P434-Y481 HydrophobicContact CB-CE2 4.23Å; P434-Y481 WeakPolarHBondContact CB-OH 3.4Å
435	I	98.7	Very high	98.4	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	143.2	-179.7	-72.1	166.4	0	0	0	109.9	I404 V406 L428 M429 H433 I437 L474 N477	I404-I435 HydrophobicContact CD1-CD1 4.5Å; I404-I435 HydrophobicContact CD1-CG1 4.12Å; I404-I435 HydrophobicContact CG1-CG1 3.7Å; V406-I435 HydrophobicContact CB-CG2 4.23Å; V406-I435 HydrophobicContact CG2-CG1 4.36Å; V406-I435 HydrophobicContact CG2-CG2 3.67Å; L428-I435 HydrophobicContact CB-CD1 3.76Å; M429-I435 HydrophobicContact CG-CD1 3.67Å; H433-I435 PolarHBondContact O-N 3.27Å; I435-I437 HydrophobicContact CG2-CD1 3.73Å; I435-L474 HydrophobicContact CB-CD2 4.41Å; I435-L474 HydrophobicContact CG2-CD2 4.01Å; I435-N477 VanDerWaalsContact O-CB 3.3Å; I435-N477 WeakPolarHBondContact O-CB 3.23Å; I435-N477 PolarHBondContact O-ND2 2.98Å
436	V	98.9	Very high	98.3	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	148.5	162.2	-60.8	0	0	0	0	109.4	L108 I404 E405 V406 N477 Y481	L108-V436 HydrophobicContact CB-CG2 4.33Å; L108-V436 HydrophobicContact CD1-CB 4.48Å; L108-V436 HydrophobicContact CD1-CG1 4.14Å; L108-V436 HydrophobicContact CD1-CG2 4.28Å; I404-V436 PolarHBondContact O-N 3.08Å; E405-V436 HydrophobicContact CB-CG2 4.06Å; E405-V436 HydrophobicContact CG-CG2 3.62Å; V406-V436 PolarHBondContact N-O 2.72Å; V436-N477 HydrophobicContact CG1-CB 3.95Å; V436-Y481 HydrophobicContact CG1-CD2 3.76Å
437	I	98.9	Very high	98.3	Very high	3 Å²	3	15.3 Å²	15.3	2%	0.015	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	138.7	177.5	-51.9	-48.1	0	0	0	108.9	V406 I435 V450 D453 F454 V457 L474	V406-I437 HydrophobicContact CB-CD1 3.96Å; V406-I437 HydrophobicContact CG1-CD1 4.36Å; I435-I437 HydrophobicContact CG2-CD1 3.73Å; I437-V450 HydrophobicContact CG2-CG2 4.41Å; I437-D453 HydrophobicContact CG2-CB 3.83Å; I437-F454 HydrophobicContact CB-CD2 4.24Å; I437-F454 HydrophobicContact CB-CE2 3.92Å; I437-F454 HydrophobicContact CB-CZ 4.26Å; I437-F454 HydrophobicContact CG2-CD2 4.03Å; I437-F454 HydrophobicContact CG2-CE2 4.19Å; I437-V457 HydrophobicContact CD1-CB 4.34Å; I437-V457 HydrophobicContact CD1-CG1 3.99Å; I437-V457 HydrophobicContact CD1-CG2 3.57Å; I437-V457 HydrophobicContact CG1-CG1 4.28Å; I437-V457 HydrophobicContact CG1-CG2 4.03Å; I437-V457 HydrophobicContact CG2-CG2 4.07Å; I437-L474 HydrophobicContact CD1-CD1 4.39Å; I437-L474 HydrophobicContact CD1-CD2 4.15Å; I437-L474 HydrophobicContact CG1-CD1 3.9Å; I437-L474 HydrophobicContact CG1-CD2 4.06Å; I437-L474 HydrophobicContact CG1-CG 4.38Å
438	S	98.9	Very high	98.2	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	10%	0.1	C	C	.	.			trans	-152.7	160	176.4	-78.3	0	0	0	0	110.9	L108 H109 V406 C407	L108-S438 PolarHBondContact N-OG 2.84Å; H109-S438 PolarHBondContact N-OG 2.84Å; H109-S438 VanDerWaalsContact N-OG 3.14Å; H109-S438 WeakPolarHBondContact O-CB 3.3Å; V406-S438 PolarHBondContact O-N 2.54Å; V406-S438 VanDerWaalsContact O-N 3.09Å; C407-S438 VanDerWaalsContact CA-O 3.31Å; C407-S438 WeakPolarHBondContact CA-O 3.22Å
439	P	98.6	Very high	98.2	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	10%	0.102	C	C	.	.			trans	-97	-8.8	-169.2	38.1	-35.3	0	0	0	114.2	V107 L110 D441 P442 G449 V450 D453	V107-P439 HydrophobicContact CG1-CG 4.24Å; L110-P439 HydrophobicContact CD1-CG 4.1Å; P439-D441 PolarHBondContact O-N 3.13Å; P439-P442 HydrophobicContact CB-CB 4.07Å; P439-P442 HydrophobicContact CB-CG 3.68Å; P439-P442 HydrophobicContact CG-CG 3.72Å; P439-G449 VanDerWaalsContact CB-O 3.24Å; P439-G449 WeakPolarHBondContact CB-O 3.06Å; P439-G449 WeakPolarHBondContact CG-O 3.2Å; P439-V450 HydrophobicContact CB-CB 4.28Å; P439-V450 HydrophobicContact CB-CG2 4.17Å; P439-V450 HydrophobicContact CG-CB 4.14Å; P439-V450 HydrophobicContact CG-CG2 4.19Å; P439-D453 WeakPolarHBondContact CA-OD2 3.22Å; P439-D453 VanDerWaalsContact CB-OD2 3.29Å; P439-D453 WeakPolarHBondContact CB-OD2 3.48Å
440	D	98.8	Very high	98.2	Very high	5 Å²	5	15.5 Å²	15.5	3%	0.027	10%	0.101	C	C	.	.	B	Isolated β-bridge	trans	64.3	-87.1	-178.9	-163.6	17.5	0	0	0	113.6	H109 L110 H111 H383 C407 S410 P442 F445	H109-D440 IonicContact CD2-OD1 2.83Å; H109-D440 PolarHBondContact CD2-OD1 3.34Å; H109-D440 VanDerWaalsContact CD2-OD1 3.32Å; H109-D440 IonicContact NE2-OD1 2.69Å; H109-D440 PolarHBondContact NE2-OD1 3.35Å; H109-D440 PolarHBondContact O-N 3.36Å; L110-D440 WeakPolarHBondContact CA-O 3.35Å; L110-D440 WeakPolarHBondContact CD1-O 3.36Å; H111-D440 IonicContact CD2-OD1 2.92Å; H111-D440 PolarHBondContact CD2-OD1 3.19Å; H111-D440 PolarHBondContact N-O 2.85Å; H111-D440 IonicContact NE2-OD1 3.74Å; H111-D440 PolarHBondContact NE2-OD1 2.78Å; H383-D440 IonicContact CE1-OD2 2.69Å; H383-D440 PolarHBondContact CE1-OD2 2.91Å; C407-D440 HydrophobicContact CB-CB 3.84Å; S410-D440 VanDerWaalsContact CB-OD2 3.23Å; S410-D440 WeakPolarHBondContact CB-OD2 3.42Å; S410-D440 PolarHBondContact OG-OD2 3.47Å; D440-P442 VanDerWaalsContact C-CD 3.44Å; D440-P442 WeakPolarHBondContact O-CD 3.46Å; D440-F445 HydrophobicContact CB-CE2 4.45Å
441	D	98.8	Very high	98.2	Very high	3 Å²	3	12.8 Å²	12.8	2%	0.016	8%	0.078	C	C	.	.	S	Bend	trans	-127.3	57.1	-178.3	-66.3	-76.3	0	0	0	113.2	H111 A114 F206 F210 P439 P443 I444 F445	H111-D441 VanDerWaalsContact CB-OD1 3.3Å; H111-D441 WeakPolarHBondContact CB-OD1 3.38Å; H111-D441 IonicContact CG-OD1 3.47Å; A114-D441 HydrophobicContact CB-CB 3.6Å; A114-D441 WeakPolarHBondContact CB-OD1 3.17Å; F206-D441 HydrophobicContact CE2-CB 4.16Å; F206-D441 HydrophobicContact CZ-CB 4.11Å; F206-D441 VanDerWaalsContact CZ-OD2 3.29Å; F206-D441 WeakPolarHBondContact CZ-OD2 3.36Å; F210-D441 WeakPolarHBondContact CE1-OD1 3.42Å; F210-D441 WeakPolarHBondContact CZ-OD1 3.47Å; P439-D441 PolarHBondContact O-N 3.13Å; D441-P443 VanDerWaalsContact C-CD 3.45Å; D441-P443 VanDerWaalsContact O-N 3.16Å; D441-I444 HydrophobicContact CB-CB 4.3Å; D441-I444 HydrophobicContact CB-CD1 4.04Å; D441-I444 HydrophobicContact CB-CG1 4.27Å; D441-I444 WeakPolarHBondContact O-CB 3.32Å; D441-I444 PolarHBondContact O-N 3.13Å; D441-F445 HydrophobicContact CB-CE1 4.46Å; D441-F445 HydrophobicContact CB-CE2 3.87Å; D441-F445 HydrophobicContact CB-CZ 3.79Å; D441-F445 WeakPolarHBondContact O-CD2 3.48Å; D441-F445 PolarHBondContact O-N 3.27Å
442	P	98.6	Very high	98.3	Very high	4 Å²	4	9.2 Å²	9.2	3%	0.026	6%	0.061	C	C	.	.	H	α-helix	trans	-50.8	-46.8	-166.5	7.9	-17.9	0	0	0	115.4	L110 A114 P439 D440 I444 F445 G446 A447	L110-P442 HydrophobicContact CD1-CG 4.17Å; A114-P442 WeakPolarHBondContact O-CD 3.31Å; P439-P442 HydrophobicContact CB-CB 4.07Å; P439-P442 HydrophobicContact CB-CG 3.68Å; P439-P442 HydrophobicContact CG-CG 3.72Å; D440-P442 VanDerWaalsContact C-CD 3.44Å; D440-P442 WeakPolarHBondContact O-CD 3.46Å; P442-I444 PolarHBondContact O-N 3.25Å; P442-F445 CarbonylContact O-C 3.43Å; P442-F445 PolarHBondContact O-N 3.32Å; P442-F445 VanDerWaalsContact O-N 3.08Å; P442-G446 PolarHBondContact O-N 3.06Å; P442-G446 VanDerWaalsContact O-N 3.13Å; P442-A447 CarbonylContact C-O 3.5Å; P442-A447 VanDerWaalsContact C-O 3.23Å; P442-A447 HydrophobicContact CB-CB 3.93Å; P442-A447 WeakPolarHBondContact O-CA 3.18Å; P442-A447 PolarHBondContact O-N 3.33Å; P442-A447 VanDerWaalsContact O-O 3.12Å
443	P	97.9	Very high	98.4	Very high	6 Å²	6	7.7 Å²	7.7	4%	0.039	5%	0.045	C	C	.	.	H	α-helix	trans	-62	-31.5	-178.3	-22.8	35.2	0	0	0	113.2	A114 L116 T118 T186 D441 F445 G446	A114-P443 WeakPolarHBondContact O-CD 3.5Å; L116-P443 WeakPolarHBondContact O-CB 3.46Å; L116-P443 WeakPolarHBondContact O-CG 3.36Å; T118-P443 HydrophobicContact CG2-CB 4.01Å; T186-P443 WeakPolarHBondContact CG2-O 3.14Å; D441-P443 VanDerWaalsContact C-CD 3.45Å; D441-P443 VanDerWaalsContact O-N 3.16Å; P443-F445 VanDerWaalsContact C-N 3.27Å; P443-F445 PolarHBondContact O-N 2.82Å; P443-G446 PolarHBondContact O-N 2.99Å
444	I	98.1	Very high	98.4	Very high	4 Å²	4	7.9 Å²	7.9	2%	0.021	5%	0.046	C	C	.	.	H	α-helix	trans	-69.8	-32.7	-179.8	-57.5	-175.6	0	0	0	110.1	A114 T186 L187 F206 V209 F210 D441 P442 G446	A114-I444 HydrophobicContact CB-CD1 3.92Å; A114-I444 HydrophobicContact CB-CG1 4.06Å; T186-I444 WeakPolarHBondContact CB-O 3.21Å; L187-I444 HydrophobicContact CB-CG2 4.42Å; L187-I444 HydrophobicContact CD1-CG2 4.05Å; L187-I444 HydrophobicContact CG-CG2 3.74Å; L187-I444 PolarHBondContact N-O 3.09Å; F206-I444 HydrophobicContact CD2-CD1 4.26Å; F206-I444 HydrophobicContact CD2-CG2 3.69Å; F206-I444 HydrophobicContact CE2-CB 4.17Å; F206-I444 HydrophobicContact CE2-CD1 3.74Å; F206-I444 HydrophobicContact CE2-CG2 3.7Å; V209-I444 HydrophobicContact CG1-CD1 3.87Å; V209-I444 HydrophobicContact CG1-CG1 3.93Å; V209-I444 HydrophobicContact CG1-CG2 4.21Å; V209-I444 HydrophobicContact CG2-CG2 4.45Å; F210-I444 HydrophobicContact CD1-CD1 4.31Å; F210-I444 HydrophobicContact CD2-CD1 4.22Å; F210-I444 HydrophobicContact CE1-CD1 3.73Å; F210-I444 HydrophobicContact CE2-CD1 3.62Å; F210-I444 HydrophobicContact CZ-CD1 3.36Å; D441-I444 HydrophobicContact CB-CB 4.3Å; D441-I444 HydrophobicContact CB-CD1 4.04Å; D441-I444 HydrophobicContact CB-CG1 4.27Å; D441-I444 WeakPolarHBondContact O-CB 3.32Å; D441-I444 PolarHBondContact O-N 3.13Å; P442-I444 PolarHBondContact O-N 3.25Å; I444-G446 VanDerWaalsContact C-N 3.35Å
445	F	98.4	Very high	98.4	Very high	2 Å²	2	7.7 Å²	7.7	1%	0.009	4%	0.044	C	C	.	.	H	α-helix	trans	-86.8	-4.3	177.3	-47.4	-37	0	0	0	113.5	F83 F84 L187 F206 I409 V413 D440 D441 P442 P443 A447	F83-F445 WeakPolarHBondContact CD1-O 3.24Å; F83-F445 WeakPolarHBondContact CE1-O 3.22Å; F84-F445 WeakPolarHBondContact CE1-O 3.11Å; L187-F445 HydrophobicContact CD1-CD1 4.45Å; L187-F445 HydrophobicContact CD1-CE1 4.37Å; F206-F445 HydrophobicContact CD2-CE1 4.47Å; F206-F445 AromaticContact CE2-CE1 3.78Å; F206-F445 HydrophobicContact CE2-CE1 3.78Å; F206-F445 HydrophobicContact CE2-CZ 4.11Å; F206-F445 HydrophobicContact CZ-CE1 4.31Å; F206-F445 HydrophobicContact CZ-CZ 4.23Å; I409-F445 HydrophobicContact CG2-CB 3.86Å; I409-F445 HydrophobicContact CG2-CD2 3.95Å; I409-F445 HydrophobicContact CG2-CG 4.13Å; V413-F445 HydrophobicContact CB-CD1 4.01Å; V413-F445 HydrophobicContact CB-CE1 4.32Å; V413-F445 HydrophobicContact CG1-CD1 3.69Å; V413-F445 HydrophobicContact CG1-CE1 4.05Å; V413-F445 HydrophobicContact CG2-CB 4.27Å; V413-F445 HydrophobicContact CG2-CD1 4.2Å; V413-F445 HydrophobicContact CG2-CG 4.29Å; D440-F445 HydrophobicContact CB-CE2 4.45Å; D441-F445 HydrophobicContact CB-CE1 4.46Å; D441-F445 HydrophobicContact CB-CE2 3.87Å; D441-F445 HydrophobicContact CB-CZ 3.79Å; D441-F445 WeakPolarHBondContact O-CD2 3.48Å; D441-F445 PolarHBondContact O-N 3.27Å; P442-F445 CarbonylContact O-C 3.43Å; P442-F445 PolarHBondContact O-N 3.32Å; P442-F445 VanDerWaalsContact O-N 3.08Å; P443-F445 VanDerWaalsContact C-N 3.27Å; P443-F445 PolarHBondContact O-N 2.82Å; F445-A447 VanDerWaalsContact C-N 3.33Å
446	G	97.4	Very high	98.5	Very high	25 Å²	25	7.7 Å²	7.7	26%	0.258	4%	0.044	S	C	.	.	T	Hydrogen-bonded Turn	trans	78.6	15.4	-173.7	0	0	0	0	0	114.1	K87 P442 P443 I444	K87-G446 WeakPolarHBondContact CD-O 3.33Å; K87-G446 WeakPolarHBondContact CE-O 3.49Å; P442-G446 PolarHBondContact O-N 3.06Å; P442-G446 VanDerWaalsContact O-N 3.13Å; P443-G446 PolarHBondContact O-N 2.99Å; I444-G446 VanDerWaalsContact C-N 3.35Å
447	A	98.1	Very high	98.5	Very high	5 Å²	5	7.7 Å²	7.7	4%	0.041	4%	0.044	C	C	.	.			trans	-93.1	167.2	171.4	0	0	0	0	0	111.3	F83 P442 F445 Y452	F83-A447 HydrophobicContact CE1-CB 3.92Å; F83-A447 HydrophobicContact CZ-CB 3.88Å; P442-A447 CarbonylContact C-O 3.5Å; P442-A447 VanDerWaalsContact C-O 3.23Å; P442-A447 HydrophobicContact CB-CB 3.93Å; P442-A447 WeakPolarHBondContact O-CA 3.18Å; P442-A447 PolarHBondContact O-N 3.33Å; P442-A447 VanDerWaalsContact O-O 3.12Å; F445-A447 VanDerWaalsContact C-N 3.33Å; A447-Y452 HydrophobicContact CB-CD2 3.91Å; A447-Y452 HydrophobicContact CB-CG 4.34Å
448	K	96.6	Very high	98.5	Very high	68 Å²	68	7.6 Å²	7.6	30%	0.296	4%	0.044	S	C	.	.			trans	-138.5	138.6	171.7	174.9	173.1	168.6	160.5	0	109.2	E233 E236	E233-K448 VanDerWaalsContact CD-CE 3.46Å; E233-K448 HydrophobicContact CG-CD 4.48Å; E233-K448 WeakPolarHBondContact OE1-CE 3.28Å; E233-K448 IonicContact OE1-NZ 2.7Å; E233-K448 PolarHBondContact OE1-NZ 3Å; E236-K448 IonicContact OE2-NZ 2.98Å; E236-K448 PolarHBondContact OE2-NZ 2.78Å
449	G	97.3	Very high	98.4	Very high	5 Å²	5	8 Å²	8	5%	0.052	5%	0.046	C	C	.	.	S	Bend	trans	66.5	-144.6	-177.3	0	0	0	0	0	112	D237 P439	D237-G449 WeakPolarHBondContact OD2-CA 3.4Å; P439-G449 VanDerWaalsContact CB-O 3.24Å; P439-G449 WeakPolarHBondContact CB-O 3.06Å; P439-G449 WeakPolarHBondContact CG-O 3.2Å
450	V	98.7	Very high	98.4	Very high	1 Å²	1	8.3 Å²	8.3	1%	0.006	5%	0.049	C	C	.	.	S	Bend	trans	-129.7	-2.7	179	71.7	0	0	0	0	112.8	K104 V107 D237 I239 I437 P439 Y452 D453 F454	K104-V450 HydrophobicContact CB-CG1 4.41Å; K104-V450 HydrophobicContact CD-CG1 3.86Å; V107-V450 HydrophobicContact CG2-CB 4.03Å; V107-V450 HydrophobicContact CG2-CG1 3.98Å; V107-V450 HydrophobicContact CG2-CG2 4.45Å; D237-V450 PolarHBondContact OD2-N 3.47Å; I239-V450 HydrophobicContact CD1-CG1 3.61Å; I239-V450 HydrophobicContact CG1-CG1 4.13Å; I437-V450 HydrophobicContact CG2-CG2 4.41Å; P439-V450 HydrophobicContact CB-CB 4.28Å; P439-V450 HydrophobicContact CB-CG2 4.17Å; P439-V450 HydrophobicContact CG-CB 4.14Å; P439-V450 HydrophobicContact CG-CG2 4.19Å; V450-Y452 PolarHBondContact O-N 3.31Å; V450-D453 HydrophobicContact CG2-CB 4.19Å; V450-D453 PolarHBondContact O-N 2.9Å; V450-F454 HydrophobicContact CG1-CD2 4.11Å; V450-F454 HydrophobicContact CG1-CE2 4.14Å; V450-F454 HydrophobicContact CG2-CD2 4.03Å; V450-F454 HydrophobicContact CG2-CE2 4.19Å; V450-F454 PolarHBondContact O-N 3.16Å
451	S	98.9	Very high	98.4	Very high	1 Å²	1	8.3 Å²	8.3	1%	0.007	5%	0.048	C	C	.	.	H	α-helix	trans	-59	-31.8	178.5	-69.4	0	0	0	0	113.8	K100 K104 D237 F454 Y455	K100-S451 WeakPolarHBondContact CA-OG 3.42Å; K104-S451 WeakPolarHBondContact CE-OG 3.42Å; K104-S451 PolarHBondContact NZ-OG 3.16Å; D237-S451 WeakPolarHBondContact OD1-CB 3.32Å; D237-S451 PolarHBondContact OD1-OG 2.91Å; D237-S451 PolarHBondContact OD2-N 2.95Å; D237-S451 PolarHBondContact OD2-OG 3.08Å; S451-F454 PolarHBondContact O-N 3.33Å; S451-Y455 PolarHBondContact O-N 2.91Å
452	Y	98.9	Very high	98.4	Very high	19 Å²	19	8.9 Å²	8.9	8%	0.075	6%	0.055	C	C	.	.	H	α-helix	trans	-64.8	-47	176.1	-69.5	-79.9	0	0	0	110.5	F83 K87 I90 D91 F96 I409 A447 V450 F454 Y455 E456	F83-Y452 AromaticContact CE2-CD1 3.84Å; F83-Y452 HydrophobicContact CE2-CD1 3.84Å; F83-Y452 HydrophobicContact CE2-CG 4.18Å; F83-Y452 AromaticContact CZ-CD1 3.84Å; F83-Y452 HydrophobicContact CZ-CD1 3.84Å; F83-Y452 HydrophobicContact CZ-CE1 4.38Å; F83-Y452 AromaticContact CZ-CG 3.98Å; F83-Y452 HydrophobicContact CZ-CG 3.98Å; K87-Y452 WeakPolarHBondContact CE-OH 3.23Å; K87-Y452 HydrophobicContact CG-CE1 3.96Å; K87-Y452 PolarHBondContact NZ-OH 2.91Å; K87-Y452 VanDerWaalsContact NZ-OH 3.08Å; I90-Y452 HydrophobicContact CG2-CD1 3.87Å; I90-Y452 HydrophobicContact CG2-CE1 4.11Å; D91-Y452 VanDerWaalsContact OD1-CE1 3.3Å; D91-Y452 WeakPolarHBondContact OD1-CE1 3.42Å; D91-Y452 PolarHBondContact OD1-OH 3.13Å; F96-Y452 HydrophobicContact CE1-CD1 4.43Å; F96-Y452 AromaticContact CE1-CE1 3.82Å; F96-Y452 HydrophobicContact CE1-CE1 3.82Å; F96-Y452 AromaticContact CE2-CD1 3.72Å; F96-Y452 HydrophobicContact CE2-CD1 3.72Å; F96-Y452 HydrophobicContact CE2-CD2 4.4Å; F96-Y452 AromaticContact CE2-CE1 3.95Å; F96-Y452 HydrophobicContact CE2-CE1 3.95Å; F96-Y452 AromaticContact CE2-CG 3.96Å; F96-Y452 HydrophobicContact CE2-CG 3.96Å; F96-Y452 AromaticContact CZ-CD1 3.6Å; F96-Y452 HydrophobicContact CZ-CD1 3.6Å; F96-Y452 HydrophobicContact CZ-CD2 4.11Å; F96-Y452 AromaticContact CZ-CE1 3.32Å; F96-Y452 HydrophobicContact CZ-CE1 3.32Å; F96-Y452 AromaticContact CZ-CE2 3.89Å; F96-Y452 HydrophobicContact CZ-CE2 3.89Å; F96-Y452 AromaticContact CZ-CG 3.98Å; F96-Y452 HydrophobicContact CZ-CG 3.98Å; F96-Y452 AromaticContact CZ-CZ 3.48Å; F96-Y452 VanDerWaalsContact CZ-CZ 3.48Å; I409-Y452 VanDerWaalsContact CD1-CB 3.47Å; A447-Y452 HydrophobicContact CB-CD2 3.91Å; A447-Y452 HydrophobicContact CB-CG 4.34Å; V450-Y452 PolarHBondContact O-N 3.31Å; Y452-F454 VanDerWaalsContact C-N 3.34Å; Y452-F454 PolarHBondContact O-N 2.75Å; Y452-Y455 WeakPolarHBondContact O-CA 2.98Å; Y452-Y455 VanDerWaalsContact O-CB 3.31Å; Y452-Y455 WeakPolarHBondContact O-CB 3.32Å; Y452-Y455 PolarHBondContact O-N 2.82Å; Y452-E456 WeakPolarHBondContact O-CG 3.4Å; Y452-E456 PolarHBondContact O-N 2.76Å
453	D	98.9	Very high	98.3	Very high	1 Å²	1	10 Å²	10	1%	0.005	7%	0.068	C	C	.	.	H	α-helix	trans	-63.7	-37.4	176.3	-60.1	-90.8	0	0	0	112.7	P408 I409 I437 P439 V450 Y455 E456 V457	P408-D453 VanDerWaalsContact CD-OD1 3.28Å; P408-D453 WeakPolarHBondContact CD-OD1 3.48Å; P408-D453 HydrophobicContact CG-CB 3.74Å; P408-D453 WeakPolarHBondContact CG-OD1 3.24Å; I409-D453 WeakPolarHBondContact CG1-OD1 3.33Å; I409-D453 PolarHBondContact N-OD1 3.15Å; I437-D453 HydrophobicContact CG2-CB 3.83Å; P439-D453 WeakPolarHBondContact CA-OD2 3.22Å; P439-D453 VanDerWaalsContact CB-OD2 3.29Å; P439-D453 WeakPolarHBondContact CB-OD2 3.48Å; V450-D453 HydrophobicContact CG2-CB 4.19Å; V450-D453 PolarHBondContact O-N 2.9Å; D453-Y455 VanDerWaalsContact C-N 3.29Å; D453-Y455 PolarHBondContact O-N 3.05Å; D453-E456 PolarHBondContact O-N 3.25Å; D453-V457 WeakPolarHBondContact O-CB 3.47Å; D453-V457 VanDerWaalsContact O-CG2 3.25Å; D453-V457 WeakPolarHBondContact O-CG2 3.48Å; D453-V457 PolarHBondContact O-N 3.08Å
454	F	98.9	Very high	98.2	Very high	5 Å²	5	13.3 Å²	13.3	2%	0.022	8%	0.084	C	C	.	.	H	α-helix	trans	-62	-37	171.3	-94.1	-96.4	0	0	0	112.2	M102 K104 I437 V450 S451 Y452 F458 L471 L474	M102-F454 HydrophobicContact CE-CD1 3.6Å; M102-F454 HydrophobicContact CE-CE1 3.62Å; M102-F454 HydrophobicContact CE-CG 4.4Å; M102-F454 HydrophobicContact CE-CZ 4.45Å; K104-F454 HydrophobicContact CB-CE2 3.91Å; K104-F454 HydrophobicContact CB-CZ 4Å; K104-F454 HydrophobicContact CD-CB 4.49Å; K104-F454 HydrophobicContact CD-CD2 3.68Å; K104-F454 HydrophobicContact CD-CE2 3.96Å; K104-F454 HydrophobicContact CD-CG 4.01Å; K104-F454 HydrophobicContact CG-CD1 4.38Å; K104-F454 HydrophobicContact CG-CD2 4.02Å; K104-F454 HydrophobicContact CG-CE1 4.23Å; K104-F454 HydrophobicContact CG-CE2 3.85Å; K104-F454 HydrophobicContact CG-CG 4.28Å; K104-F454 HydrophobicContact CG-CZ 3.95Å; I437-F454 HydrophobicContact CB-CD2 4.24Å; I437-F454 HydrophobicContact CB-CE2 3.92Å; I437-F454 HydrophobicContact CB-CZ 4.26Å; I437-F454 HydrophobicContact CG2-CD2 4.03Å; I437-F454 HydrophobicContact CG2-CE2 4.19Å; V450-F454 HydrophobicContact CG1-CD2 4.11Å; V450-F454 HydrophobicContact CG1-CE2 4.14Å; V450-F454 HydrophobicContact CG2-CD2 4.03Å; V450-F454 HydrophobicContact CG2-CE2 4.19Å; V450-F454 PolarHBondContact O-N 3.16Å; S451-F454 PolarHBondContact O-N 3.33Å; Y452-F454 VanDerWaalsContact C-N 3.34Å; Y452-F454 PolarHBondContact O-N 2.75Å; F454-F458 WeakPolarHBondContact O-CB 3.01Å; F454-F458 PolarHBondContact O-N 3.09Å; F454-L471 HydrophobicContact CD1-CD2 4.02Å; F454-L474 HydrophobicContact CE1-CB 4.06Å; F454-L474 HydrophobicContact CZ-CB 4.39Å
455	Y	98.9	Very high	98	Very high	5 Å²	5	17.7 Å²	17.7	2%	0.02	11%	0.107	C	C	.	.	H	α-helix	trans	-65.2	-47.9	174.8	174.9	-86.1	0	0	0	111.2	P78 P79 I90 S93 V95 F96 L99 S451 Y452 D453 V457 F458 M459	P78-Y455 HydrophobicContact CB-CE1 4.3Å; P79-Y455 HydrophobicContact CG-CE1 4.07Å; I90-Y455 HydrophobicContact CB-CD1 4.47Å; I90-Y455 HydrophobicContact CB-CE1 4.33Å; I90-Y455 HydrophobicContact CD1-CD1 3.95Å; I90-Y455 HydrophobicContact CD1-CE1 3.97Å; I90-Y455 HydrophobicContact CG1-CD1 3.94Å; I90-Y455 HydrophobicContact CG1-CE1 3.6Å; I90-Y455 HydrophobicContact CG2-CD1 3.75Å; I90-Y455 HydrophobicContact CG2-CD2 4.19Å; I90-Y455 HydrophobicContact CG2-CE1 4.03Å; I90-Y455 HydrophobicContact CG2-CE2 4.41Å; I90-Y455 HydrophobicContact CG2-CG 3.84Å; S93-Y455 WeakPolarHBondContact OG-CE2 3.14Å; V95-Y455 HydrophobicContact CG1-CD2 4.43Å; F96-Y455 HydrophobicContact CB-CD2 3.78Å; F96-Y455 HydrophobicContact CB-CE2 4.21Å; F96-Y455 HydrophobicContact CD2-CD2 4.39Å; F96-Y455 HydrophobicContact CD2-CG 4.37Å; L99-Y455 HydrophobicContact CD1-CD2 4.33Å; S451-Y455 PolarHBondContact O-N 2.91Å; Y452-Y455 WeakPolarHBondContact O-CA 2.98Å; Y452-Y455 VanDerWaalsContact O-CB 3.31Å; Y452-Y455 WeakPolarHBondContact O-CB 3.32Å; Y452-Y455 PolarHBondContact O-N 2.82Å; D453-Y455 VanDerWaalsContact C-N 3.29Å; D453-Y455 PolarHBondContact O-N 3.05Å; Y455-V457 VanDerWaalsContact C-N 3.31Å; Y455-V457 PolarHBondContact O-N 2.86Å; Y455-F458 PolarHBondContact O-N 3.25Å; Y455-M459 HydrophobicContact CD1-CG 4.28Å; Y455-M459 HydrophobicContact CD2-CG 3.77Å; Y455-M459 HydrophobicContact CE1-CB 4.37Å; Y455-M459 HydrophobicContact CE1-CG 4.04Å; Y455-M459 HydrophobicContact CE2-CE 4.46Å; Y455-M459 HydrophobicContact CE2-CG 3.52Å; Y455-M459 HydrophobicContact CE2-SD 4.36Å; Y455-M459 HydrophobicContact CG-CG 4.15Å; Y455-M459 VanDerWaalsContact O-CB 3.28Å; Y455-M459 WeakPolarHBondContact O-CB 3.37Å; Y455-M459 WeakPolarHBondContact O-CG 3.34Å; Y455-M459 PolarHBondContact O-N 2.79Å
456	E	98.9	Very high	97.9	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-58.7	-44.7	177.6	-62.2	-56.6	170.7	0	0	111.8	P79 I90 P408 I409 L420 Y452 D453 A460 I461	P79-E456 WeakPolarHBondContact CA-OE2 3.44Å; P79-E456 WeakPolarHBondContact CB-OE2 3.42Å; P79-E456 VanDerWaalsContact CG-OE2 3.27Å; P79-E456 WeakPolarHBondContact CG-OE2 3.04Å; I90-E456 WeakPolarHBondContact CD1-OE1 3.32Å; P408-E456 HydrophobicContact CB-CB 4.09Å; P408-E456 HydrophobicContact CG-CB 3.97Å; I409-E456 HydrophobicContact CD1-CG 4.28Å; I409-E456 HydrophobicContact CG1-CG 3.84Å; L420-E456 HydrophobicContact CD1-CB 3.87Å; L420-E456 HydrophobicContact CD1-CG 3.8Å; Y452-E456 WeakPolarHBondContact O-CG 3.4Å; Y452-E456 PolarHBondContact O-N 2.76Å; D453-E456 PolarHBondContact O-N 3.25Å; E456-A460 WeakPolarHBondContact O-CB 3.46Å; E456-A460 PolarHBondContact O-N 2.8Å; E456-I461 PolarHBondContact O-N 2.86Å
457	V	98.9	Very high	98	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	10%	0.097	C	C	.	.	I	π-helix	trans	-63.9	-48	176.9	169.8	0	0	0	0	111.1	P408 M429 I437 D453 Y455 I461 G462 L474	P408-V457 HydrophobicContact CG-CG2 4.07Å; M429-V457 HydrophobicContact CE-CG1 3.83Å; M429-V457 HydrophobicContact SD-CG1 3.78Å; I437-V457 HydrophobicContact CD1-CB 4.34Å; I437-V457 HydrophobicContact CD1-CG1 3.99Å; I437-V457 HydrophobicContact CD1-CG2 3.57Å; I437-V457 HydrophobicContact CG1-CG1 4.28Å; I437-V457 HydrophobicContact CG1-CG2 4.03Å; I437-V457 HydrophobicContact CG2-CG2 4.07Å; D453-V457 WeakPolarHBondContact O-CB 3.47Å; D453-V457 VanDerWaalsContact O-CG2 3.25Å; D453-V457 WeakPolarHBondContact O-CG2 3.48Å; D453-V457 PolarHBondContact O-N 3.08Å; Y455-V457 VanDerWaalsContact C-N 3.31Å; Y455-V457 PolarHBondContact O-N 2.86Å; V457-I461 HydrophobicContact CG2-CD1 4Å; V457-I461 PolarHBondContact O-N 3.33Å; V457-G462 PolarHBondContact O-N 3.02Å; V457-L474 HydrophobicContact CG1-CD1 3.95Å
458	F	98.9	Very high	98	Very high	1 Å²	1	16.7 Å²	16.7	0%	0.004	10%	0.095	C	C	.	.	I	π-helix	trans	-71.6	-36.9	-173.7	-176.4	-113.2	0	0	0	112.9	L60 K64 V95 L99 F454 Y455 A466 L471	L60-F458 HydrophobicContact CD1-CE1 4.17Å; L60-F458 HydrophobicContact CD2-CE1 4.16Å; L60-F458 HydrophobicContact CD2-CZ 3.77Å; L60-F458 HydrophobicContact CG-CE1 4.04Å; L60-F458 HydrophobicContact CG-CZ 3.9Å; K64-F458 HydrophobicContact CB-CE1 4.45Å; K64-F458 HydrophobicContact CD-CD1 4.21Å; K64-F458 HydrophobicContact CD-CE1 3.63Å; K64-F458 HydrophobicContact CD-CZ 3.87Å; K64-F458 WeakPolarHBondContact CE-O 3.38Å; K64-F458 PolarHBondContact NZ-O 2.93Å; V95-F458 HydrophobicContact CG1-CD1 3.76Å; V95-F458 HydrophobicContact CG1-CE1 3.87Å; L99-F458 HydrophobicContact CD1-CB 4.43Å; L99-F458 HydrophobicContact CD1-CD1 4.48Å; F454-F458 WeakPolarHBondContact O-CB 3.01Å; F454-F458 PolarHBondContact O-N 3.09Å; Y455-F458 PolarHBondContact O-N 3.25Å; F458-A466 HydrophobicContact CD2-CB 4.07Å; F458-A466 HydrophobicContact CE2-CB 4.17Å; F458-A466 VanDerWaalsContact CE2-O 3.22Å; F458-A466 WeakPolarHBondContact CE2-O 3.42Å; F458-L471 HydrophobicContact CB-CD2 4.07Å; F458-L471 HydrophobicContact CD2-CD1 4.06Å; F458-L471 HydrophobicContact CD2-CD2 3.66Å; F458-L471 HydrophobicContact CD2-CG 3.76Å; F458-L471 HydrophobicContact CE2-CD1 3.92Å; F458-L471 HydrophobicContact CE2-CD2 4.33Å; F458-L471 HydrophobicContact CE2-CG 3.93Å; F458-L471 HydrophobicContact CG-CD1 4.5Å; F458-L471 HydrophobicContact CG-CD2 3.97Å; F458-L471 HydrophobicContact CG-CG 4.43Å; F458-L471 HydrophobicContact CZ-CD1 4.25Å
459	M	98.8	Very high	98.1	Very high	7 Å²	7	15 Å²	15	3%	0.034	9%	0.087	C	C	.	.	I	π-helix	trans	-85	-36.3	-176	-66.1	-60.3	-77.4	0	0	112.8	K64 E67 V68 F77 P79 V95 Y455	K64-M459 HydrophobicContact CB-SD 4.24Å; K64-M459 HydrophobicContact CD-SD 4.05Å; K64-M459 HydrophobicContact CG-CE 4.17Å; K64-M459 HydrophobicContact CG-SD 3.76Å; E67-M459 HydrophobicContact CB-CE 3.99Å; V68-M459 HydrophobicContact CG2-CE 4.05Å; F77-M459 HydrophobicContact CZ-CB 4.26Å; P79-M459 HydrophobicContact CG-CB 3.98Å; V95-M459 HydrophobicContact CB-SD 4.32Å; V95-M459 HydrophobicContact CG1-SD 3.83Å; V95-M459 HydrophobicContact CG2-SD 4.32Å; Y455-M459 HydrophobicContact CD1-CG 4.28Å; Y455-M459 HydrophobicContact CD2-CG 3.77Å; Y455-M459 HydrophobicContact CE1-CB 4.37Å; Y455-M459 HydrophobicContact CE1-CG 4.04Å; Y455-M459 HydrophobicContact CE2-CE 4.46Å; Y455-M459 HydrophobicContact CE2-CG 3.52Å; Y455-M459 HydrophobicContact CE2-SD 4.36Å; Y455-M459 HydrophobicContact CG-CG 4.15Å; Y455-M459 VanDerWaalsContact O-CB 3.28Å; Y455-M459 WeakPolarHBondContact O-CB 3.37Å; Y455-M459 WeakPolarHBondContact O-CG 3.34Å; Y455-M459 PolarHBondContact O-N 2.79Å
460	A	98.5	Very high	98.2	Very high	8 Å²	8	14.9 Å²	14.9	7%	0.066	9%	0.085	C	C	.	.	I	π-helix	trans	-113.2	-61.6	-176	0	0	0	0	0	113.5	F77 P79 L420 R421 E456 G462 G463	F77-A460 HydrophobicContact CE1-CB 4.06Å; F77-A460 HydrophobicContact CZ-CB 4.29Å; P79-A460 HydrophobicContact CB-CB 3.4Å; P79-A460 VanDerWaalsContact CB-CB 3.4Å; P79-A460 HydrophobicContact CG-CB 3.96Å; L420-A460 HydrophobicContact CB-CB 4.36Å; R421-A460 HydrophobicContact CG-CB 3.98Å; E456-A460 WeakPolarHBondContact O-CB 3.46Å; E456-A460 PolarHBondContact O-N 2.8Å; A460-G462 PolarHBondContact O-N 2.66Å; A460-G463 WeakPolarHBondContact O-CA 3.17Å; A460-G463 PolarHBondContact O-N 3.4Å
461	I	98.6	Very high	98.2	Very high	4 Å²	4	15 Å²	15	2%	0.021	9%	0.086	C	C	.	.	I	π-helix	trans	-65.2	-41.9	-168.2	-53.7	-177	0	0	0	111.6	P408 H423 A425 A426 M429 E456 V457 G463	P408-I461 HydrophobicContact CB-CD1 3.77Å; H423-I461 HydrophobicContact CB-CD1 3.86Å; H423-I461 HydrophobicContact CB-CG1 3.92Å; A425-I461 HydrophobicContact CB-CG2 3.87Å; A426-I461 VanDerWaalsContact CA-O 3.32Å; A426-I461 WeakPolarHBondContact CA-O 3.32Å; A426-I461 HydrophobicContact CB-CG2 4.1Å; A426-I461 VanDerWaalsContact CB-O 3.25Å; A426-I461 WeakPolarHBondContact CB-O 3.48Å; M429-I461 HydrophobicContact SD-CB 4.36Å; M429-I461 HydrophobicContact SD-CG2 3.78Å; E456-I461 PolarHBondContact O-N 2.86Å; V457-I461 HydrophobicContact CG2-CD1 4Å; V457-I461 PolarHBondContact O-N 3.33Å; I461-G463 PolarHBondContact O-N 2.94Å
462	G	97.8	Very high	98.2	Very high	15 Å²	15	16.2 Å²	16.2	16%	0.155	9%	0.091	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.9	-6.1	174.9	0	0	0	0	0	114.1	V457 A460 A466	V457-G462 PolarHBondContact O-N 3.02Å; A460-G462 PolarHBondContact O-N 2.66Å; G462-A466 WeakPolarHBondContact O-CB 3.38Å; G462-A466 PolarHBondContact O-N 3.09Å
463	G	96.1	Very high	98.2	Very high	29 Å²	29	17.6 Å²	17.6	30%	0.299	10%	0.098	S	C	.	.			trans	60.9	-173.1	-178	0	0	0	0	0	113.8	K64 A460 I461 N465 A466	K64-G463 WeakPolarHBondContact CE-O 3.16Å; K64-G463 PolarHBondContact NZ-O 3.48Å; A460-G463 WeakPolarHBondContact O-CA 3.17Å; A460-G463 PolarHBondContact O-N 3.4Å; I461-G463 PolarHBondContact O-N 2.94Å; G463-N465 PolarHBondContact O-N 2.89Å; G463-A466 PolarHBondContact O-N 3.29Å
464	M	95.5	Very high	98.2	Very high	75 Å²	75	17.6 Å²	17.6	37%	0.369	10%	0.098	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-30.3	-177.9	-168.5	62.1	75.4	0	0	113.1	K64 E65 V68 A466	K64-M464 HydrophobicContact CG-SD 4.22Å; E65-M464 HydrophobicContact CG-SD 3.8Å; V68-M464 HydrophobicContact CB-CE 3.6Å; V68-M464 HydrophobicContact CG1-CE 3.4Å; V68-M464 VanDerWaalsContact CG1-CE 3.4Å; V68-M464 HydrophobicContact CG2-CE 3.87Å; M464-A466 VanDerWaalsContact C-N 3.3Å; M464-A466 PolarHBondContact O-N 3.08Å
465	N	93.9	Very high	98.2	Very high	95 Å²	95	17.3 Å²	17.3	51%	0.508	10%	0.097	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.3	-11.7	-175.3	-65.3	-22.6	0	0	0	114.3	Q42 G463 D467	Q42-N465 PolarHBondContact NE2-O 3.31Å; G463-N465 PolarHBondContact O-N 2.89Å; N465-D467 PolarHBondContact O-N 2.98Å
466	A	98	Very high	98.2	Very high	1 Å²	1	18.9 Å²	18.9	1%	0.008	11%	0.106	C	C	.	.			trans	-65.9	125.1	172.6	0	0	0	0	0	110.4	K64 F458 G462 G463 M464 T470	K64-A466 PolarHBondContact NZ-O 3.19Å; F458-A466 HydrophobicContact CD2-CB 4.07Å; F458-A466 HydrophobicContact CE2-CB 4.17Å; F458-A466 VanDerWaalsContact CE2-O 3.22Å; F458-A466 WeakPolarHBondContact CE2-O 3.42Å; G462-A466 WeakPolarHBondContact O-CB 3.38Å; G462-A466 PolarHBondContact O-N 3.09Å; G463-A466 PolarHBondContact O-N 3.29Å; M464-A466 VanDerWaalsContact C-N 3.3Å; M464-A466 PolarHBondContact O-N 3.08Å; A466-T470 HydrophobicContact CB-CG2 4.06Å
467	D	98.2	Very high	98.2	Very high	9 Å²	9	19.3 Å²	19.3	5%	0.048	11%	0.108	C	C	.	.			trans	-127.4	-165.8	-177.1	72	11.1	0	0	0	111.3	V61 N465 R469 T470 L471	V61-D467 HydrophobicContact CG2-CB 3.78Å; N465-D467 PolarHBondContact O-N 2.98Å; D467-R469 PolarHBondContact O-N 3.3Å; D467-R469 WeakPolarHBondContact OD1-CA 3.47Å; D467-R469 WeakPolarHBondContact OD1-CB 3.46Å; D467-R469 WeakPolarHBondContact OD1-CG 3.4Å; D467-R469 PolarHBondContact OD1-N 2.93Å; D467-R469 IonicContact OD2-CZ 3.91Å; D467-R469 IonicContact OD2-NH1 2.64Å; D467-R469 PolarHBondContact OD2-NH1 3.23Å; D467-T470 WeakPolarHBondContact O-CB 3.35Å; D467-T470 PolarHBondContact O-N 3.29Å; D467-T470 VanDerWaalsContact O-N 3.09Å; D467-L471 PolarHBondContact O-N 3.5Å
468	L	98.6	Very high	98.2	Very high	1 Å²	1	19.5 Å²	19.5	1%	0.005	11%	0.109	C	C	.	.	H	α-helix	trans	-59.4	-28.3	-179.8	-170.5	66.7	0	0	0	113	L49 E53 L56 L60 L471 K472 W500 F503 I504	L49-L468 HydrophobicContact CD1-CB 4.31Å; L49-L468 HydrophobicContact CD1-CD2 4.47Å; E53-L468 HydrophobicContact CB-CD2 4.06Å; E53-L468 VanDerWaalsContact O-CD2 3.24Å; E53-L468 WeakPolarHBondContact O-CD2 3.1Å; L56-L468 HydrophobicContact CB-CD2 4.26Å; L56-L468 HydrophobicContact CD2-CD1 4.18Å; L56-L468 HydrophobicContact CD2-CD2 4.14Å; L56-L468 HydrophobicContact CG-CD2 4.3Å; L60-L468 HydrophobicContact CD2-CD1 4.35Å; L468-L471 HydrophobicContact CD1-CD1 4.47Å; L468-L471 PolarHBondContact O-N 3.43Å; L468-K472 WeakPolarHBondContact O-CB 3.46Å; L468-K472 PolarHBondContact O-N 3.08Å; L468-W500 HydrophobicContact CD1-CH2 3.64Å; L468-W500 HydrophobicContact CD1-CZ2 3.97Å; L468-W500 HydrophobicContact CD2-CZ2 4.22Å; L468-W500 HydrophobicContact CG-CH2 4.04Å; L468-W500 HydrophobicContact CG-CZ2 3.95Å; L468-F503 HydrophobicContact CD1-CE1 4.48Å; L468-I504 HydrophobicContact CD2-CD1 4.01Å
469	R	98.8	Very high	98.2	Very high	32 Å²	32	19.9 Å²	19.9	12%	0.121	11%	0.111	C	C	.	.	H	α-helix	trans	-65.8	-40.4	177	-57.4	170.2	175.7	74.5	9.5	111.1	G44 L47 L49 D467 L471 K472 Q473	G44-R469 VanDerWaalsContact O-CB 3.26Å; G44-R469 WeakPolarHBondContact O-CB 3.4Å; L47-R469 HydrophobicContact CB-CB 4.21Å; L47-R469 HydrophobicContact CB-CG 4.24Å; L47-R469 WeakPolarHBondContact O-CD 3.44Å; L47-R469 PolarHBondContact O-NE 2.89Å; L49-R469 HydrophobicContact CD1-CG 3.9Å; L49-R469 HydrophobicContact CD2-CG 3.75Å; L49-R469 HydrophobicContact CG-CG 3.72Å; D467-R469 PolarHBondContact O-N 3.3Å; D467-R469 WeakPolarHBondContact OD1-CA 3.47Å; D467-R469 WeakPolarHBondContact OD1-CB 3.46Å; D467-R469 WeakPolarHBondContact OD1-CG 3.4Å; D467-R469 PolarHBondContact OD1-N 2.93Å; D467-R469 IonicContact OD2-CZ 3.91Å; D467-R469 IonicContact OD2-NH1 2.64Å; D467-R469 PolarHBondContact OD2-NH1 3.23Å; R469-L471 VanDerWaalsContact C-N 3.34Å; R469-K472 PolarHBondContact O-N 3Å; R469-Q473 VanDerWaalsContact O-CB 3.31Å; R469-Q473 WeakPolarHBondContact O-CB 3.41Å; R469-Q473 PolarHBondContact O-N 3.38Å
470	T	98.9	Very high	98.2	Very high	3 Å²	3	24 Å²	24	2%	0.018	13%	0.129	C	C	.	.	H	α-helix	trans	-59.2	-48.6	176.2	-57.3	0	0	0	0	110.4	T43 M429 A466 D467 Q473 L474	T43-T470 HydrophobicContact CG2-CG2 4.24Å; T43-T470 WeakPolarHBondContact O-CA 3.26Å; T43-T470 PolarHBondContact O-OG1 2.92Å; M429-T470 HydrophobicContact CE-CG2 3.54Å; A466-T470 HydrophobicContact CB-CG2 4.06Å; D467-T470 WeakPolarHBondContact O-CB 3.35Å; D467-T470 PolarHBondContact O-N 3.29Å; D467-T470 VanDerWaalsContact O-N 3.09Å; T470-Q473 PolarHBondContact O-N 3.23Å; T470-L474 HydrophobicContact CG2-CD1 4.09Å; T470-L474 VanDerWaalsContact O-CG 3.3Å; T470-L474 WeakPolarHBondContact O-CG 3.27Å; T470-L474 PolarHBondContact O-N 3.46Å
471	L	98.9	Very high	98.2	Very high	3 Å²	3	24.9 Å²	24.9	2%	0.016	13%	0.131	C	C	.	.	H	α-helix	trans	-61.5	-46.9	177.7	-64.1	174.9	0	0	0	112.2	L60 L99 M102 F454 F458 D467 L468 R469 Q473 L474 A475	L60-L471 HydrophobicContact CD2-CD1 3.65Å; L99-L471 HydrophobicContact CD2-CD1 3.64Å; L99-L471 HydrophobicContact CD2-CD2 3.69Å; L99-L471 HydrophobicContact CD2-CG 4.33Å; M102-L471 HydrophobicContact CE-CB 4.22Å; M102-L471 HydrophobicContact CE-CD2 4.2Å; M102-L471 HydrophobicContact SD-CB 3.7Å; M102-L471 HydrophobicContact SD-CD1 4Å; M102-L471 HydrophobicContact SD-CD2 4.4Å; M102-L471 HydrophobicContact SD-CG 4.26Å; F454-L471 HydrophobicContact CD1-CD2 4.02Å; F458-L471 HydrophobicContact CB-CD2 4.07Å; F458-L471 HydrophobicContact CD2-CD1 4.06Å; F458-L471 HydrophobicContact CD2-CD2 3.66Å; F458-L471 HydrophobicContact CD2-CG 3.76Å; F458-L471 HydrophobicContact CE2-CD1 3.92Å; F458-L471 HydrophobicContact CE2-CD2 4.33Å; F458-L471 HydrophobicContact CE2-CG 3.93Å; F458-L471 HydrophobicContact CG-CD1 4.5Å; F458-L471 HydrophobicContact CG-CD2 3.97Å; F458-L471 HydrophobicContact CG-CG 4.43Å; F458-L471 HydrophobicContact CZ-CD1 4.25Å; D467-L471 PolarHBondContact O-N 3.5Å; L468-L471 HydrophobicContact CD1-CD1 4.47Å; L468-L471 PolarHBondContact O-N 3.43Å; R469-L471 VanDerWaalsContact C-N 3.34Å; L471-Q473 VanDerWaalsContact C-N 3.34Å; L471-Q473 PolarHBondContact O-N 3.42Å; L471-L474 PolarHBondContact O-N 2.6Å; L471-A475 PolarHBondContact O-N 2.82Å
472	K	98.9	Very high	98.2	Very high	27 Å²	27	25 Å²	25	12%	0.117	13%	0.131	C	C	.	.	H	α-helix	trans	-59.7	-43.8	177.6	-164.7	177.8	-177.2	176.6	0	111.5	L47 E53 L468 R469 A475 L476 W496 W500	L47-K472 HydrophobicContact CD1-CB 4.16Å; L47-K472 HydrophobicContact CD1-CD 4.4Å; L47-K472 HydrophobicContact CD1-CG 4.36Å; E53-K472 WeakPolarHBondContact OE1-CE 3.46Å; E53-K472 IonicContact OE1-NZ 2.76Å; E53-K472 PolarHBondContact OE1-NZ 2.99Å; E53-K472 IonicContact OE2-NZ 3.46Å; E53-K472 PolarHBondContact OE2-NZ 2.76Å; L468-K472 WeakPolarHBondContact O-CB 3.46Å; L468-K472 PolarHBondContact O-N 3.08Å; R469-K472 PolarHBondContact O-N 3Å; K472-A475 PolarHBondContact O-N 3.05Å; K472-L476 HydrophobicContact CG-CD1 4.32Å; K472-L476 WeakPolarHBondContact O-CB 3.33Å; K472-L476 VanDerWaalsContact O-CG 3.31Å; K472-L476 WeakPolarHBondContact O-CG 3.15Å; K472-L476 PolarHBondContact O-N 3.01Å; K472-W496 HydrophobicContact CD-CH2 4.43Å; K472-W496 HydrophobicContact CG-CH2 3.68Å; K472-W496 HydrophobicContact CG-CZ2 4.13Å; K472-W500 HydrophobicContact CB-CH2 3.73Å; K472-W500 HydrophobicContact CB-CZ2 3.79Å; K472-W500 HydrophobicContact CB-CZ3 4.44Å; K472-W500 HydrophobicContact CD-CZ2 3.79Å; K472-W500 HydrophobicContact CG-CH2 4.02Å; K472-W500 HydrophobicContact CG-CZ2 3.71Å
473	Q	98.9	Very high	98.3	Very high	49 Å²	49	25.7 Å²	25.7	23%	0.229	14%	0.136	C	C	.	.	H	α-helix	trans	-64.9	-43.4	178.8	-172.8	63	62.1	0	0	111.9	T43 L47 R469 T470 L471 L476 N477	T43-Q473 HydrophobicContact CG2-CB 4.09Å; T43-Q473 HydrophobicContact CG2-CG 3.94Å; L47-Q473 HydrophobicContact CD1-CB 3.9Å; R469-Q473 VanDerWaalsContact O-CB 3.31Å; R469-Q473 WeakPolarHBondContact O-CB 3.41Å; R469-Q473 PolarHBondContact O-N 3.38Å; T470-Q473 PolarHBondContact O-N 3.23Å; L471-Q473 VanDerWaalsContact C-N 3.34Å; L471-Q473 PolarHBondContact O-N 3.42Å; Q473-L476 PolarHBondContact O-N 3.25Å; Q473-N477 PolarHBondContact NE2-OD1 3.17Å; Q473-N477 VanDerWaalsContact O-CB 3.32Å; Q473-N477 WeakPolarHBondContact O-CB 3.41Å; Q473-N477 PolarHBondContact O-N 2.93Å; Q473-N477 PolarHBondContact O-OD1 2.91Å
474	L	98.9	Very high	98.4	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-64.3	-41.6	178.5	-69.3	170.4	0	0	0	111.6	T43 M429 I435 I437 F454 V457 T470 L471 N477 S478	T43-L474 HydrophobicContact CG2-CD2 4.05Å; T43-L474 HydrophobicContact CG2-CG 4.15Å; M429-L474 HydrophobicContact CE-CD1 4.39Å; I435-L474 HydrophobicContact CB-CD2 4.41Å; I435-L474 HydrophobicContact CG2-CD2 4.01Å; I437-L474 HydrophobicContact CD1-CD1 4.39Å; I437-L474 HydrophobicContact CD1-CD2 4.15Å; I437-L474 HydrophobicContact CG1-CD1 3.9Å; I437-L474 HydrophobicContact CG1-CD2 4.06Å; I437-L474 HydrophobicContact CG1-CG 4.38Å; F454-L474 HydrophobicContact CE1-CB 4.06Å; F454-L474 HydrophobicContact CZ-CB 4.39Å; V457-L474 HydrophobicContact CG1-CD1 3.95Å; T470-L474 HydrophobicContact CG2-CD1 4.09Å; T470-L474 VanDerWaalsContact O-CG 3.3Å; T470-L474 WeakPolarHBondContact O-CG 3.27Å; T470-L474 PolarHBondContact O-N 3.46Å; L471-L474 PolarHBondContact O-N 2.6Å; L474-N477 PolarHBondContact O-N 3.19Å; L474-S478 PolarHBondContact O-N 3.45Å; L474-S478 VanDerWaalsContact O-N 3.11Å
475	A	98.9	Very high	98.5	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-61.7	-47	174	0	0	0	0	0	111.6	K104 L471 K472 N477 S478 W496	K104-A475 WeakPolarHBondContact O-CA 3.39Å; L471-A475 PolarHBondContact O-N 2.82Å; K472-A475 PolarHBondContact O-N 3.05Å; A475-N477 PolarHBondContact O-N 3.47Å; A475-S478 PolarHBondContact O-N 3.12Å; A475-S478 PolarHBondContact O-OG 2.98Å; A475-W496 HydrophobicContact CB-CZ2 3.92Å
476	L	98.9	Very high	98.6	Very high	38 Å²	38	24.3 Å²	24.3	20%	0.199	13%	0.128	C	C	.	.	H	α-helix	trans	-63.9	-37.4	176.1	-73.2	174	0	0	0	113.1	K472 Q473 S478 I479 K480 W496	K472-L476 HydrophobicContact CG-CD1 4.32Å; K472-L476 WeakPolarHBondContact O-CB 3.33Å; K472-L476 VanDerWaalsContact O-CG 3.31Å; K472-L476 WeakPolarHBondContact O-CG 3.15Å; K472-L476 PolarHBondContact O-N 3.01Å; Q473-L476 PolarHBondContact O-N 3.25Å; L476-S478 VanDerWaalsContact C-N 3.31Å; L476-S478 PolarHBondContact O-N 3.13Å; L476-I479 PolarHBondContact O-N 3.45Å; L476-I479 VanDerWaalsContact O-N 3.16Å; L476-K480 PolarHBondContact O-N 3.17Å; L476-W496 HydrophobicContact CD1-CH2 4.18Å; L476-W496 HydrophobicContact CD1-CZ3 4.42Å; L476-W496 HydrophobicContact CD2-CD2 4.25Å; L476-W496 HydrophobicContact CD2-CE3 3.67Å; L476-W496 HydrophobicContact CD2-CH2 3.71Å; L476-W496 HydrophobicContact CD2-CZ2 4.28Å; L476-W496 HydrophobicContact CD2-CZ3 3.39Å; L476-W496 HydrophobicContact CG-CH2 3.73Å; L476-W496 HydrophobicContact CG-CZ2 4.16Å; L476-W496 HydrophobicContact CG-CZ3 3.96Å
477	N	98.9	Very high	98.6	Very high	9 Å²	9	29.7 Å²	29.7	5%	0.048	15%	0.153	C	C	.	.	H	α-helix	trans	-60.2	-42.1	176.1	-77.3	-3.7	0	0	0	111	I435 V436 Q473 L474 A475 I479 K480 Y481	I435-N477 VanDerWaalsContact O-CB 3.3Å; I435-N477 WeakPolarHBondContact O-CB 3.23Å; I435-N477 PolarHBondContact O-ND2 2.98Å; V436-N477 HydrophobicContact CG1-CB 3.95Å; Q473-N477 PolarHBondContact NE2-OD1 3.17Å; Q473-N477 VanDerWaalsContact O-CB 3.32Å; Q473-N477 WeakPolarHBondContact O-CB 3.41Å; Q473-N477 PolarHBondContact O-N 2.93Å; Q473-N477 PolarHBondContact O-OD1 2.91Å; L474-N477 PolarHBondContact O-N 3.19Å; A475-N477 PolarHBondContact O-N 3.47Å; N477-I479 PolarHBondContact O-N 2.93Å; N477-K480 PolarHBondContact O-N 3.19Å; N477-K480 VanDerWaalsContact O-N 3.13Å; N477-Y481 HydrophobicContact CB-CD2 3.88Å; N477-Y481 HydrophobicContact CB-CE2 3.81Å; N477-Y481 WeakPolarHBondContact O-CD2 3Å; N477-Y481 PolarHBondContact O-N 3.17Å
478	S	98.9	Very high	98.6	Very high	3 Å²	3	31.9 Å²	31.9	2%	0.021	16%	0.163	C	C	.	.	H	α-helix	trans	-59.8	-30.5	177.3	78.9	0	0	0	0	112.9	K104 A106 L108 L474 A475 L476	K104-S478 PolarHBondContact O-OG 2.81Å; A106-S478 PolarHBondContact N-OG 3.36Å; A106-S478 WeakPolarHBondContact O-CB 3.47Å; L108-S478 WeakPolarHBondContact CD1-O 3.33Å; L474-S478 PolarHBondContact O-N 3.45Å; L474-S478 VanDerWaalsContact O-N 3.11Å; A475-S478 PolarHBondContact O-N 3.12Å; A475-S478 PolarHBondContact O-OG 2.98Å; L476-S478 VanDerWaalsContact C-N 3.31Å; L476-S478 PolarHBondContact O-N 3.13Å
479	I	98.9	Very high	98.6	Very high	9 Å²	9	34.8 Å²	34.8	5%	0.046	18%	0.176	C	C	.	.	H	α-helix	trans	-78.7	-47.1	173.4	-59.6	173	0	0	0	109.9	L476 N477 Y481 S482 M484 A492 W496	L476-I479 PolarHBondContact O-N 3.45Å; L476-I479 VanDerWaalsContact O-N 3.16Å; N477-I479 PolarHBondContact O-N 2.93Å; I479-Y481 VanDerWaalsContact C-N 3.35Å; I479-Y481 PolarHBondContact O-N 3.18Å; I479-S482 PolarHBondContact O-N 2.95Å; I479-S482 PolarHBondContact O-OG 2.55Å; I479-M484 HydrophobicContact CG2-CE 4.09Å; I479-A492 HydrophobicContact CG2-CB 4.02Å; I479-W496 HydrophobicContact CD1-CB 3.67Å; I479-W496 HydrophobicContact CD1-CD2 4.4Å; I479-W496 HydrophobicContact CD1-CG 3.81Å
480	K	98.8	Very high	98.6	Very high	95 Å²	95	36.2 Å²	36.2	41%	0.413	20%	0.195	S	C	.	.	H	α-helix	trans	-54.8	-48.3	-178.5	-179	-174.1	171.4	-162.7	0	111.8	D401 L476 N477 K489	D401-K480 IonicContact OD1-NZ 3.03Å; D401-K480 PolarHBondContact OD1-NZ 3.32Å; D401-K480 WeakPolarHBondContact OD2-CE 3.47Å; D401-K480 IonicContact OD2-NZ 2.66Å; D401-K480 PolarHBondContact OD2-NZ 3.35Å; L476-K480 PolarHBondContact O-N 3.17Å; N477-K480 PolarHBondContact O-N 3.19Å; N477-K480 VanDerWaalsContact O-N 3.13Å; K480-K489 WeakPolarHBondContact O-CE 2.81Å; K480-K489 PolarHBondContact O-NZ 3.04Å
481	Y	98.9	Very high	98.5	Very high	26 Å²	26	40.9 Å²	40.9	10%	0.102	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.8	2.4	-171.7	-58.3	-63.3	0	0	0	114.7	R380 D401 P403 P434 V436 N477 I479	R380-Y481 WeakPolarHBondContact CD-O 3.35Å; R380-Y481 PolarHBondContact NH1-O 3.4Å; D401-Y481 WeakPolarHBondContact O-CE1 3.43Å; D401-Y481 PolarHBondContact OD1-OH 3.08Å; P403-Y481 HydrophobicContact CB-CD1 4.34Å; P403-Y481 HydrophobicContact CB-CD2 3.92Å; P403-Y481 HydrophobicContact CB-CE2 4.09Å; P403-Y481 HydrophobicContact CB-CG 4.06Å; P403-Y481 HydrophobicContact CG-CD1 3.76Å; P403-Y481 HydrophobicContact CG-CD2 3.93Å; P403-Y481 HydrophobicContact CG-CE1 4.33Å; P403-Y481 HydrophobicContact CG-CE2 4.47Å; P403-Y481 HydrophobicContact CG-CG 3.55Å; P434-Y481 HydrophobicContact CB-CE2 4.23Å; P434-Y481 WeakPolarHBondContact CB-OH 3.4Å; V436-Y481 HydrophobicContact CG1-CD2 3.76Å; N477-Y481 HydrophobicContact CB-CD2 3.88Å; N477-Y481 HydrophobicContact CB-CE2 3.81Å; N477-Y481 WeakPolarHBondContact O-CD2 3Å; N477-Y481 PolarHBondContact O-N 3.17Å; I479-Y481 VanDerWaalsContact C-N 3.35Å; I479-Y481 PolarHBondContact O-N 3.18Å
482	S	98.9	Very high	98.5	Very high	5 Å²	5	40.7 Å²	40.7	4%	0.035	21%	0.214	C	C	.	.	S	Bend	trans	-60.2	157.3	169	64.7	0	0	0	0	111.8	E243 I479 M484 K489	E243-S482 WeakPolarHBondContact OE1-CA 3.35Å; E243-S482 WeakPolarHBondContact OE1-CB 3.41Å; I479-S482 PolarHBondContact O-N 2.95Å; I479-S482 PolarHBondContact O-OG 2.55Å; S482-M484 PolarHBondContact O-N 2.87Å; S482-M484 WeakPolarHBondContact OG-CB 3.41Å; S482-M484 WeakPolarHBondContact OG-CE 3.43Å; S482-K489 WeakPolarHBondContact O-CE 3.33Å; S482-K489 PolarHBondContact O-NZ 2.79Å; S482-K489 VanDerWaalsContact OG-CE 3.23Å; S482-K489 WeakPolarHBondContact OG-CE 3.29Å
483	A	98.6	Very high	98.5	Very high	30 Å²	30	45.3 Å²	45.3	25%	0.248	23%	0.234	C	C	.	.	S	Bend	trans	-81	12.1	167.6	0	0	0	0	0	112.8	E243 K286 A319 F353	E243-A483 WeakPolarHBondContact OE1-CA 3.49Å; E243-A483 WeakPolarHBondContact OE1-CB 3.33Å; E243-A483 PolarHBondContact OE1-N 3.49Å; K286-A483 HydrophobicContact CD-CB 4.5Å; K286-A483 VanDerWaalsContact CE-O 3.22Å; K286-A483 WeakPolarHBondContact CE-O 3.36Å; A319-A483 HydrophobicContact CB-CB 3.67Å; F353-A483 HydrophobicContact CE1-CB 4.43Å; F353-A483 HydrophobicContact CZ-CB 3.93Å
484	M	98.6	Very high	98.5	Very high	9 Å²	9	48.1 Å²	48.1	4%	0.044	25%	0.247	C	C	.	.			trans	-56.4	144.3	168.3	-76.1	-170.6	-80.6	0	0	111.2	Y241 V283 I479 S482 E488 K489 A492	Y241-M484 HydrophobicContact CD1-CE 3.85Å; Y241-M484 HydrophobicContact CD1-CG 4.23Å; Y241-M484 HydrophobicContact CD1-SD 4.17Å; Y241-M484 HydrophobicContact CD2-CE 4.49Å; Y241-M484 HydrophobicContact CD2-CG 3.94Å; Y241-M484 HydrophobicContact CD2-SD 3.78Å; Y241-M484 HydrophobicContact CE1-CE 4.2Å; Y241-M484 HydrophobicContact CE1-CG 3.8Å; Y241-M484 HydrophobicContact CE1-SD 4.34Å; Y241-M484 HydrophobicContact CE2-CG 3.48Å; Y241-M484 VanDerWaalsContact CE2-CG 3.48Å; Y241-M484 HydrophobicContact CE2-SD 3.99Å; Y241-M484 HydrophobicContact CG-CE 4.01Å; Y241-M484 HydrophobicContact CG-CG 4.3Å; Y241-M484 HydrophobicContact CG-SD 3.89Å; V283-M484 HydrophobicContact CG1-SD 3.85Å; I479-M484 HydrophobicContact CG2-CE 4.09Å; S482-M484 PolarHBondContact O-N 2.87Å; S482-M484 WeakPolarHBondContact OG-CB 3.41Å; S482-M484 WeakPolarHBondContact OG-CE 3.43Å; M484-E488 WeakPolarHBondContact CA-OE2 3.22Å; M484-E488 HydrophobicContact CB-CB 3.8Å; M484-E488 HydrophobicContact CG-CB 4.06Å; M484-E488 HydrophobicContact SD-CB 4.12Å; M484-K489 HydrophobicContact CB-CD 4.47Å; M484-K489 HydrophobicContact CB-CG 3.54Å; M484-K489 HydrophobicContact CE-CG 4.39Å; M484-K489 WeakPolarHBondContact O-CE 3.41Å; M484-A492 HydrophobicContact CE-CB 3.75Å; M484-A492 HydrophobicContact SD-CB 3.9Å
485	L	97.3	Very high	98.5	Very high	58 Å²	58	49.1 Å²	49.1	30%	0.304	25%	0.253	S	S	.	.			trans	-64.6	157.4	168.7	-60.1	177.4	0	0	0	110.3	E487 E488 K489	L485-E487 VanDerWaalsContact C-N 3.28Å; L485-E487 VanDerWaalsContact CB-OE1 3.22Å; L485-E487 WeakPolarHBondContact CB-OE1 3.32Å; L485-E487 VanDerWaalsContact CD1-OE1 3.24Å; L485-E487 WeakPolarHBondContact CD1-OE1 3.34Å; L485-E487 PolarHBondContact O-N 2.98Å; L485-E488 HydrophobicContact CB-CB 4.48Å; L485-E488 HydrophobicContact CB-CG 4.15Å; L485-E488 PolarHBondContact N-OE2 3.35Å; L485-E488 WeakPolarHBondContact O-CB 3.28Å; L485-E488 PolarHBondContact O-N 3.47Å; L485-K489 PolarHBondContact O-N 3.38Å
486	P	97.6	Very high	98.5	Very high	103 Å²	103	49.1 Å²	49.1	67%	0.669	25%	0.253	S	S	*	.	H	α-helix	trans	-52.7	-41.3	-176.6	-28.9	36.8	0	0	0	114.5	K489 A490	P486-K489 PolarHBondContact O-N 2Å; P486-A490 PolarHBondContact O-N 2.91Å
487	E	97.1	Very high	98.5	Very high	115 Å²	115	50.4 Å²	50.4	54%	0.537	26%	0.258	S	S	.	.	H	α-helix	trans	-69.6	-36.9	177.2	65.8	-76.7	-176.9	0	0	112.8	L485 A490 K491	L485-E487 VanDerWaalsContact C-N 3.28Å; L485-E487 VanDerWaalsContact CB-OE1 3.22Å; L485-E487 WeakPolarHBondContact CB-OE1 3.32Å; L485-E487 VanDerWaalsContact CD1-OE1 3.24Å; L485-E487 WeakPolarHBondContact CD1-OE1 3.34Å; L485-E487 PolarHBondContact O-N 2.98Å; E487-A490 PolarHBondContact O-N 2.87Å; E487-K491 PolarHBondContact O-N 3.09Å
488	E	98.1	Very high	98.5	Very high	55 Å²	55	56.1 Å²	56.1	26%	0.257	28%	0.282	S	S	.	.	H	α-helix	trans	-65.4	-42.3	173.8	-66.2	176.1	144.2	0	0	110.1	K286 M484 L485 K491 A492	K286-E488 VanDerWaalsContact CE-OE2 3.27Å; K286-E488 WeakPolarHBondContact CE-OE2 3.04Å; K286-E488 IonicContact NZ-OE1 3.88Å; K286-E488 PolarHBondContact NZ-OE1 3.07Å; K286-E488 VanDerWaalsContact NZ-OE1 3.07Å; K286-E488 IonicContact NZ-OE2 3Å; K286-E488 PolarHBondContact NZ-OE2 3.01Å; M484-E488 WeakPolarHBondContact CA-OE2 3.22Å; M484-E488 HydrophobicContact CB-CB 3.8Å; M484-E488 HydrophobicContact CG-CB 4.06Å; M484-E488 HydrophobicContact SD-CB 4.12Å; L485-E488 HydrophobicContact CB-CB 4.48Å; L485-E488 HydrophobicContact CB-CG 4.15Å; L485-E488 PolarHBondContact N-OE2 3.35Å; L485-E488 WeakPolarHBondContact O-CB 3.28Å; L485-E488 PolarHBondContact O-N 3.47Å; E488-K491 PolarHBondContact O-N 3.33Å; E488-A492 VanDerWaalsContact O-CB 3.3Å; E488-A492 WeakPolarHBondContact O-CB 3.44Å; E488-A492 PolarHBondContact O-N 2.95Å
489	K	98.8	Very high	98.4	Very high	61 Å²	61	57.6 Å²	57.6	27%	0.265	29%	0.289	S	S	.	.	H	α-helix	trans	-63	-41.5	174.5	-70.5	-175.8	176.8	178	0	112.2	K480 S482 M484 L485 P486 A492 K493	K480-K489 WeakPolarHBondContact O-CE 2.81Å; K480-K489 PolarHBondContact O-NZ 3.04Å; S482-K489 WeakPolarHBondContact O-CE 3.33Å; S482-K489 PolarHBondContact O-NZ 2.79Å; S482-K489 VanDerWaalsContact OG-CE 3.23Å; S482-K489 WeakPolarHBondContact OG-CE 3.29Å; M484-K489 HydrophobicContact CB-CD 4.47Å; M484-K489 HydrophobicContact CB-CG 3.54Å; M484-K489 HydrophobicContact CE-CG 4.39Å; M484-K489 WeakPolarHBondContact O-CE 3.41Å; L485-K489 PolarHBondContact O-N 3.38Å; P486-K489 PolarHBondContact O-N 2Å; K489-A492 PolarHBondContact O-N 3Å; K489-K493 WeakPolarHBondContact O-CB 3.36Å; K489-K493 PolarHBondContact O-N 2.87Å
490	A	98.4	Very high	98.4	Very high	63 Å²	63	57.2 Å²	57.2	52%	0.521	29%	0.286	S	S	.	.	H	α-helix	trans	-61.6	-47.7	177	0	0	0	0	0	111	P486 E487 K493 E494	P486-A490 PolarHBondContact O-N 2.91Å; E487-A490 PolarHBondContact O-N 2.87Å; A490-K493 PolarHBondContact O-N 3.07Å; A490-E494 PolarHBondContact O-N 3.48Å; A490-E494 VanDerWaalsContact O-N 3.1Å
491	K	97.9	Very high	98.4	Very high	100 Å²	100	56.3 Å²	56.3	44%	0.435	29%	0.286	S	S	.	.	H	α-helix	trans	-59.8	-47.5	174	-176.7	-175.4	175.5	-168.1	0	111.5	E487 E488 K493 E494 V495	E487-K491 PolarHBondContact O-N 3.09Å; E488-K491 PolarHBondContact O-N 3.33Å; K491-K493 VanDerWaalsContact C-N 3.27Å; K491-K493 PolarHBondContact O-N 3.25Å; K491-E494 WeakPolarHBondContact O-CB 3.26Å; K491-E494 PolarHBondContact O-N 3.49Å; K491-E494 VanDerWaalsContact O-N 3.15Å; K491-V495 HydrophobicContact CG-CG2 4.47Å; K491-V495 WeakPolarHBondContact O-CG2 3.41Å; K491-V495 PolarHBondContact O-N 3.15Å
492	A	98.7	Very high	98.3	Very high	0 Å²	0	60.2 Å²	60.2	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-59	-39.3	179.4	0	0	0	0	0	112.3	Q240 V283 I479 M484 E488 K489 W496	Q240-A492 PolarHBondContact NE2-O 3.13Å; V283-A492 HydrophobicContact CG1-CB 4.17Å; V283-A492 HydrophobicContact CG2-CB 3.84Å; I479-A492 HydrophobicContact CG2-CB 4.02Å; M484-A492 HydrophobicContact CE-CB 3.75Å; M484-A492 HydrophobicContact SD-CB 3.9Å; E488-A492 VanDerWaalsContact O-CB 3.3Å; E488-A492 WeakPolarHBondContact O-CB 3.44Å; E488-A492 PolarHBondContact O-N 2.95Å; K489-A492 PolarHBondContact O-N 3Å; A492-W496 WeakPolarHBondContact O-CB 3.41Å; A492-W496 PolarHBondContact O-N 2.82Å
493	K	98.7	Very high	98.2	Very high	123 Å²	123	60.4 Å²	60.4	54%	0.535	31%	0.305	S	S	.	.	H	α-helix	trans	-67.5	-39.2	176.9	-170.1	176.5	-179.5	-179.8	0	112	K489 A490 K491 Q497	K489-K493 WeakPolarHBondContact O-CB 3.36Å; K489-K493 PolarHBondContact O-N 2.87Å; A490-K493 PolarHBondContact O-N 3.07Å; K491-K493 VanDerWaalsContact C-N 3.27Å; K491-K493 PolarHBondContact O-N 3.25Å; K493-Q497 WeakPolarHBondContact O-CB 3.49Å; K493-Q497 PolarHBondContact O-N 2.85Å
494	E	98.6	Very high	98.1	Very high	108 Å²	108	59.1 Å²	59.1	51%	0.505	30%	0.295	S	S	.	.	H	α-helix	trans	-64.2	-48	175.8	-170.5	-164.7	148.5	0	0	111.7	A490 K491 W496 Q497 K498	A490-E494 PolarHBondContact O-N 3.48Å; A490-E494 VanDerWaalsContact O-N 3.1Å; K491-E494 WeakPolarHBondContact O-CB 3.26Å; K491-E494 PolarHBondContact O-N 3.49Å; K491-E494 VanDerWaalsContact O-N 3.15Å; E494-W496 VanDerWaalsContact C-N 3.34Å; E494-W496 PolarHBondContact O-N 2.71Å; E494-Q497 PolarHBondContact O-N 2.85Å; E494-K498 WeakPolarHBondContact O-CG 3.44Å; E494-K498 PolarHBondContact O-N 3.36Å; E494-K498 VanDerWaalsContact O-N 3.13Å; E494-K498 WeakPolarHBondContact OE1-CE 3.19Å; E494-K498 IonicContact OE1-NZ 3.91Å; E494-K498 PolarHBondContact OE1-NZ 3.11Å
495	V	98.6	Very high	97.9	Very high	21 Å²	21	60.2 Å²	60.2	13%	0.127	31%	0.305	C	S	.	.	H	α-helix	trans	-61	-46.2	177	177.9	0	0	0	0	110.4	D281 K491 Q497 K498 K499	D281-V495 HydrophobicContact CB-CG1 3.95Å; D281-V495 WeakPolarHBondContact O-CG1 3.45Å; K491-V495 HydrophobicContact CG-CG2 4.47Å; K491-V495 WeakPolarHBondContact O-CG2 3.41Å; K491-V495 PolarHBondContact O-N 3.15Å; V495-Q497 PolarHBondContact O-N 2.87Å; V495-K498 PolarHBondContact O-N 3.41Å; V495-K499 HydrophobicContact CG1-CD 4.39Å; V495-K499 PolarHBondContact O-N 3.24Å; V495-K499 VanDerWaalsContact O-N 3.07Å
496	W	98.8	Very high	97.5	Very high	1 Å²	1	60.6 Å²	60.6	0%	0.004	31%	0.307	C	S	.	.	H	α-helix	trans	-60.7	-44.2	178.2	178.8	81.7	0	0	0	112.1	P103 K472 A475 L476 I479 A492 E494 K498 K499 W500	P103-W496 PolarHBondContact O-NE1 2.89Å; K472-W496 HydrophobicContact CD-CH2 4.43Å; K472-W496 HydrophobicContact CG-CH2 3.68Å; K472-W496 HydrophobicContact CG-CZ2 4.13Å; A475-W496 HydrophobicContact CB-CZ2 3.92Å; L476-W496 HydrophobicContact CD1-CH2 4.18Å; L476-W496 HydrophobicContact CD1-CZ3 4.42Å; L476-W496 HydrophobicContact CD2-CD2 4.25Å; L476-W496 HydrophobicContact CD2-CE3 3.67Å; L476-W496 HydrophobicContact CD2-CH2 3.71Å; L476-W496 HydrophobicContact CD2-CZ2 4.28Å; L476-W496 HydrophobicContact CD2-CZ3 3.39Å; L476-W496 HydrophobicContact CG-CH2 3.73Å; L476-W496 HydrophobicContact CG-CZ2 4.16Å; L476-W496 HydrophobicContact CG-CZ3 3.96Å; I479-W496 HydrophobicContact CD1-CB 3.67Å; I479-W496 HydrophobicContact CD1-CD2 4.4Å; I479-W496 HydrophobicContact CD1-CG 3.81Å; A492-W496 WeakPolarHBondContact O-CB 3.41Å; A492-W496 PolarHBondContact O-N 2.82Å; E494-W496 VanDerWaalsContact C-N 3.34Å; E494-W496 PolarHBondContact O-N 2.71Å; W496-K498 VanDerWaalsContact C-N 3.34Å; W496-K498 PolarHBondContact O-N 2.53Å; W496-K499 PolarHBondContact O-N 3.45Å; W496-W500 HydrophobicContact CD2-CB 4.44Å; W496-W500 HydrophobicContact CE3-CB 4.46Å; W496-W500 HydrophobicContact CH2-CB 4.21Å; W496-W500 AromaticContact CH2-CD2 3.94Å; W496-W500 HydrophobicContact CH2-CD2 3.94Å; W496-W500 HydrophobicContact CH2-CE3 4.2Å; W496-W500 AromaticContact CH2-CG 3.92Å; W496-W500 HydrophobicContact CH2-CG 3.92Å; W496-W500 HydrophobicContact CZ2-CB 4.2Å; W496-W500 AromaticContact CZ2-CD2 3.77Å; W496-W500 HydrophobicContact CZ2-CD2 3.77Å; W496-W500 AromaticContact CZ2-CE3 3.56Å; W496-W500 HydrophobicContact CZ2-CE3 3.56Å; W496-W500 HydrophobicContact CZ2-CG 4.05Å; W496-W500 HydrophobicContact CZ2-CZ3 4.24Å; W496-W500 HydrophobicContact CZ3-CB 4.33Å; W496-W500 HydrophobicContact CZ3-CG 4.39Å; W496-W500 VanDerWaalsContact O-CB 3.31Å; W496-W500 WeakPolarHBondContact O-CB 3.35Å; W496-W500 PolarHBondContact O-N 3.29Å
497	Q	98.7	Very high	97	Very high	65 Å²	65	55.8 Å²	55.8	30%	0.304	28%	0.276	S	S	.	.	H	α-helix	trans	-60.7	-44.6	179.9	-172.3	64.9	59	0	0	111	K493 E494 V495 K499 W500 D501	K493-Q497 WeakPolarHBondContact O-CB 3.49Å; K493-Q497 PolarHBondContact O-N 2.85Å; E494-Q497 PolarHBondContact O-N 2.85Å; V495-Q497 PolarHBondContact O-N 2.87Å; Q497-K499 VanDerWaalsContact C-N 3.35Å; Q497-K499 PolarHBondContact O-N 3.43Å; Q497-W500 PolarHBondContact O-N 2.76Å; Q497-D501 PolarHBondContact NE2-OD1 3.46Å; Q497-D501 PolarHBondContact O-N 2.74Å
498	K	98.6	Very high	96.1	Very high	128 Å²	128	51 Å²	51	56%	0.557	26%	0.255	S	S	*	.	H	α-helix	trans	-58.8	-45.1	175.7	-71.7	169.9	173.5	169.2	0	112	E494 V495 W496 Q502	E494-K498 WeakPolarHBondContact O-CG 3.44Å; E494-K498 PolarHBondContact O-N 3.36Å; E494-K498 VanDerWaalsContact O-N 3.13Å; E494-K498 WeakPolarHBondContact OE1-CE 3.19Å; E494-K498 IonicContact OE1-NZ 3.91Å; E494-K498 PolarHBondContact OE1-NZ 3.11Å; V495-K498 PolarHBondContact O-N 3.41Å; W496-K498 VanDerWaalsContact C-N 3.34Å; W496-K498 PolarHBondContact O-N 2.53Å; K498-Q502 WeakPolarHBondContact O-CB 3.42Å; K498-Q502 PolarHBondContact O-N 2.98Å; K498-Q502 VanDerWaalsContact O-N 3.1Å
499	K	98.6	Very high	94.7	Very high	35 Å²	35	52.4 Å²	52.4	15%	0.152	27%	0.265	C	S	.	.	H	α-helix	trans	-66.4	-37.8	176.8	-70.2	-175.2	169.4	-166.4	0	112.1	P103 D281 V495 W496 Q497 Q502 F503	P103-K499 HydrophobicContact CB-CB 3.71Å; P103-K499 HydrophobicContact CB-CD 4.4Å; P103-K499 HydrophobicContact CG-CB 3.93Å; D281-K499 WeakPolarHBondContact OD2-CE 3.42Å; D281-K499 IonicContact OD2-NZ 3.7Å; D281-K499 PolarHBondContact OD2-NZ 3.42Å; V495-K499 HydrophobicContact CG1-CD 4.39Å; V495-K499 PolarHBondContact O-N 3.24Å; V495-K499 VanDerWaalsContact O-N 3.07Å; W496-K499 PolarHBondContact O-N 3.45Å; Q497-K499 VanDerWaalsContact C-N 3.35Å; Q497-K499 PolarHBondContact O-N 3.43Å; K499-Q502 PolarHBondContact O-N 3.41Å; K499-F503 WeakPolarHBondContact O-CB 3.43Å; K499-F503 PolarHBondContact O-N 2.92Å
500	W	98.7	Very high	93.1	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-65	-48.9	178.4	-179.3	-92.9	0	0	0	110.5	E53 M102 P103 L468 K472 W496 Q497 Q502 F503 I504	E53-W500 PolarHBondContact OE1-NE1 3.01Å; M102-W500 HydrophobicContact CG-CE3 4.49Å; M102-W500 HydrophobicContact CG-CZ3 3.87Å; M102-W500 HydrophobicContact SD-CZ3 4Å; P103-W500 HydrophobicContact CG-CB 4.19Å; P103-W500 HydrophobicContact CG-CE3 4.11Å; L468-W500 HydrophobicContact CD1-CH2 3.64Å; L468-W500 HydrophobicContact CD1-CZ2 3.97Å; L468-W500 HydrophobicContact CD2-CZ2 4.22Å; L468-W500 HydrophobicContact CG-CH2 4.04Å; L468-W500 HydrophobicContact CG-CZ2 3.95Å; K472-W500 HydrophobicContact CB-CH2 3.73Å; K472-W500 HydrophobicContact CB-CZ2 3.79Å; K472-W500 HydrophobicContact CB-CZ3 4.44Å; K472-W500 HydrophobicContact CD-CZ2 3.79Å; K472-W500 HydrophobicContact CG-CH2 4.02Å; K472-W500 HydrophobicContact CG-CZ2 3.71Å; W496-W500 HydrophobicContact CD2-CB 4.44Å; W496-W500 HydrophobicContact CE3-CB 4.46Å; W496-W500 HydrophobicContact CH2-CB 4.21Å; W496-W500 AromaticContact CH2-CD2 3.94Å; W496-W500 HydrophobicContact CH2-CD2 3.94Å; W496-W500 HydrophobicContact CH2-CE3 4.2Å; W496-W500 AromaticContact CH2-CG 3.92Å; W496-W500 HydrophobicContact CH2-CG 3.92Å; W496-W500 HydrophobicContact CZ2-CB 4.2Å; W496-W500 AromaticContact CZ2-CD2 3.77Å; W496-W500 HydrophobicContact CZ2-CD2 3.77Å; W496-W500 AromaticContact CZ2-CE3 3.56Å; W496-W500 HydrophobicContact CZ2-CE3 3.56Å; W496-W500 HydrophobicContact CZ2-CG 4.05Å; W496-W500 HydrophobicContact CZ2-CZ3 4.24Å; W496-W500 HydrophobicContact CZ3-CB 4.33Å; W496-W500 HydrophobicContact CZ3-CG 4.39Å; W496-W500 VanDerWaalsContact O-CB 3.31Å; W496-W500 WeakPolarHBondContact O-CB 3.35Å; W496-W500 PolarHBondContact O-N 3.29Å; Q497-W500 PolarHBondContact O-N 2.76Å; W500-Q502 VanDerWaalsContact C-N 3.3Å; W500-Q502 PolarHBondContact O-N 2.7Å; W500-F503 HydrophobicContact CE3-CD1 4.37Å; W500-F503 HydrophobicContact CH2-CE1 4.49Å; W500-F503 HydrophobicContact CZ3-CD1 4.42Å; W500-F503 HydrophobicContact CZ3-CE1 4.36Å; W500-F503 WeakPolarHBondContact O-CB 3.4Å; W500-F503 PolarHBondContact O-N 2.91Å; W500-F503 VanDerWaalsContact O-N 3.08Å; W500-I504 HydrophobicContact CZ2-CD1 4.03Å; W500-I504 WeakPolarHBondContact O-CG1 3.46Å; W500-I504 PolarHBondContact O-N 3.44Å
501	D	98.1	Very high	91.3	Very high	77 Å²	77	49.9 Å²	49.9	41%	0.412	25%	0.246	S	C	.	.	H	α-helix	trans	-59.7	-41.7	177.6	-61.3	-17.3	0	0	0	111.2	Q497 I504 A505	Q497-D501 PolarHBondContact NE2-OD1 3.46Å; Q497-D501 PolarHBondContact O-N 2.74Å; D501-I504 PolarHBondContact O-N 3.26Å; D501-A505 WeakPolarHBondContact O-CB 3.33Å; D501-A505 PolarHBondContact O-N 2.61Å
502	Q	97.1	Very high	89	Confident	108 Å²	108	50.6 Å²	50.6	51%	0.505	25%	0.254	S	S	.	.	H	α-helix	trans	-62.3	-44	174	-172	64.7	53	0	0	112	K498 K499 W500 I504 A505 D506	K498-Q502 WeakPolarHBondContact O-CB 3.42Å; K498-Q502 PolarHBondContact O-N 2.98Å; K498-Q502 VanDerWaalsContact O-N 3.1Å; K499-Q502 PolarHBondContact O-N 3.41Å; W500-Q502 VanDerWaalsContact C-N 3.3Å; W500-Q502 PolarHBondContact O-N 2.7Å; Q502-I504 VanDerWaalsContact C-N 3.35Å; Q502-I504 PolarHBondContact O-N 3.3Å; Q502-A505 PolarHBondContact O-N 3.49Å; Q502-D506 PolarHBondContact NE2-OD1 2.92Å; Q502-D506 WeakPolarHBondContact O-CB 3.49Å; Q502-D506 VanDerWaalsContact O-CG 3.24Å; Q502-D506 PolarHBondContact O-N 3.06Å
503	F	97.2	Very high	86.8	Confident	8 Å²	8	60.1 Å²	60.1	4%	0.035	29%	0.29	C	S	.	.	H	α-helix	trans	-60.4	-42.8	176.7	163.9	-100.2	0	0	0	112.2	L56 I98 R101 M102 P103 L468 K499 W500 L507	L56-F503 HydrophobicContact CD2-CD1 4.38Å; L56-F503 HydrophobicContact CD2-CE1 3.73Å; L56-F503 HydrophobicContact CD2-CZ 4.19Å; I98-F503 HydrophobicContact CG2-CE2 4.08Å; I98-F503 HydrophobicContact CG2-CZ 3.84Å; R101-F503 HydrophobicContact CB-CD2 4.21Å; R101-F503 HydrophobicContact CB-CE2 4.2Å; M102-F503 HydrophobicContact CB-CD2 4.4Å; M102-F503 HydrophobicContact CB-CE1 4.43Å; M102-F503 HydrophobicContact CB-CE2 3.85Å; M102-F503 HydrophobicContact CB-CZ 3.87Å; M102-F503 HydrophobicContact CG-CE1 4.11Å; M102-F503 HydrophobicContact CG-CE2 4.41Å; M102-F503 HydrophobicContact CG-CZ 4.03Å; P103-F503 HydrophobicContact CG-CB 4.43Å; L468-F503 HydrophobicContact CD1-CE1 4.48Å; K499-F503 WeakPolarHBondContact O-CB 3.43Å; K499-F503 PolarHBondContact O-N 2.92Å; W500-F503 HydrophobicContact CE3-CD1 4.37Å; W500-F503 HydrophobicContact CH2-CE1 4.49Å; W500-F503 HydrophobicContact CZ3-CD1 4.42Å; W500-F503 HydrophobicContact CZ3-CE1 4.36Å; W500-F503 WeakPolarHBondContact O-CB 3.4Å; W500-F503 PolarHBondContact O-N 2.91Å; W500-F503 VanDerWaalsContact O-N 3.08Å; F503-L507 HydrophobicContact CD2-CD1 3.78Å; F503-L507 HydrophobicContact CE1-CD1 4.12Å; F503-L507 HydrophobicContact CE2-CD1 3.23Å; F503-L507 HydrophobicContact CE2-CG 4.34Å; F503-L507 HydrophobicContact CG-CD1 4.43Å; F503-L507 HydrophobicContact CZ-CD1 3.42Å; F503-L507 VanDerWaalsContact CZ-CD1 3.42Å; F503-L507 WeakPolarHBondContact O-CB 3.28Å; F503-L507 PolarHBondContact O-N 3.05Å
504	I	96.9	Very high	84.5	Confident	4 Å²	4	61.5 Å²	61.5	2%	0.021	30%	0.298	C	S	.	.	H	α-helix	trans	-63.2	-45.7	175.2	-61.6	-55.3	0	0	0	110.8	Q52 E53 L56 L468 W500 D501 Q502 S508	Q52-I504 HydrophobicContact CB-CG2 3.55Å; E53-I504 HydrophobicContact CG-CD1 4.04Å; E53-I504 HydrophobicContact CG-CG1 4.03Å; E53-I504 HydrophobicContact CG-CG2 4.36Å; L56-I504 HydrophobicContact CD2-CD1 3.42Å; L56-I504 VanDerWaalsContact CD2-CD1 3.42Å; L468-I504 HydrophobicContact CD2-CD1 4.01Å; W500-I504 HydrophobicContact CZ2-CD1 4.03Å; W500-I504 WeakPolarHBondContact O-CG1 3.46Å; W500-I504 PolarHBondContact O-N 3.44Å; D501-I504 PolarHBondContact O-N 3.26Å; Q502-I504 VanDerWaalsContact C-N 3.35Å; Q502-I504 PolarHBondContact O-N 3.3Å; I504-S508 WeakPolarHBondContact O-CB 3.36Å; I504-S508 PolarHBondContact O-N 2.92Å; I504-S508 PolarHBondContact O-OG 3.3Å
505	A	93.2	Very high	81.6	Confident	31 Å²	31	65.8 Å²	65.8	26%	0.256	32%	0.324	S	S	.	.	H	α-helix	trans	-64	-50.2	-179.8	0	0	0	0	0	112.2	D501 Q502 L507 S508 D509	D501-A505 WeakPolarHBondContact O-CB 3.33Å; D501-A505 PolarHBondContact O-N 2.61Å; Q502-A505 PolarHBondContact O-N 3.49Å; A505-L507 VanDerWaalsContact C-N 3.28Å; A505-L507 PolarHBondContact O-N 2.88Å; A505-S508 PolarHBondContact O-N 3.19Å; A505-D509 WeakPolarHBondContact O-CB 3.25Å; A505-D509 PolarHBondContact O-N 3.39Å
506	D	90.3	Very high	80.7	Confident	67 Å²	67	68 Å²	68	36%	0.358	33%	0.334	S	S	.	.	H	α-helix	trans	-59.4	-40	-177.8	-73.5	-17.7	0	0	0	112.3	Q502 S510	Q502-D506 PolarHBondContact NE2-OD1 2.92Å; Q502-D506 WeakPolarHBondContact O-CB 3.49Å; Q502-D506 VanDerWaalsContact O-CG 3.24Å; Q502-D506 PolarHBondContact O-N 3.06Å; D506-S510 WeakPolarHBondContact O-CB 3.48Å; D506-S510 PolarHBondContact O-N 3.44Å; D506-S510 PolarHBondContact O-OG 3.01Å
507	L	86.3	Confident	79.8	Confident	1 Å²	1	71.5 Å²	71.5	1%	0.005	35%	0.351	C	S	.	.	H	α-helix	trans	-75.3	-40.9	179.3	-76.3	176	0	0	0	111.7	L56 I98 F503 A505 D509 S510 F511	L56-L507 HydrophobicContact CD1-CB 3.94Å; L56-L507 HydrophobicContact CD1-CD1 3.89Å; L56-L507 HydrophobicContact CD2-CB 4.49Å; L56-L507 HydrophobicContact CD2-CD1 3.99Å; I98-L507 HydrophobicContact CG1-CD2 4.48Å; I98-L507 HydrophobicContact CG2-CD1 3.85Å; F503-L507 HydrophobicContact CD2-CD1 3.78Å; F503-L507 HydrophobicContact CE1-CD1 4.12Å; F503-L507 HydrophobicContact CE2-CD1 3.23Å; F503-L507 HydrophobicContact CE2-CG 4.34Å; F503-L507 HydrophobicContact CG-CD1 4.43Å; F503-L507 HydrophobicContact CZ-CD1 3.42Å; F503-L507 VanDerWaalsContact CZ-CD1 3.42Å; F503-L507 WeakPolarHBondContact O-CB 3.28Å; F503-L507 PolarHBondContact O-N 3.05Å; A505-L507 VanDerWaalsContact C-N 3.28Å; A505-L507 PolarHBondContact O-N 2.88Å; L507-D509 VanDerWaalsContact C-N 3.28Å; L507-D509 PolarHBondContact O-N 3.39Å; L507-S510 WeakPolarHBondContact CA-OG 3.43Å; L507-S510 PolarHBondContact O-N 3.37Å; L507-S510 PolarHBondContact O-OG 3.24Å; L507-S510 VanDerWaalsContact O-OG 3.06Å; L507-F511 HydrophobicContact CB-CD2 4.08Å; L507-F511 HydrophobicContact CB-CE2 3.74Å; L507-F511 HydrophobicContact CD2-CE2 3.76Å; L507-F511 HydrophobicContact CD2-CZ 3.92Å; L507-F511 HydrophobicContact CG-CE2 4.23Å; L507-F511 WeakPolarHBondContact O-CB 3.32Å; L507-F511 WeakPolarHBondContact O-CD2 3.48Å; L507-F511 VanDerWaalsContact O-CG 3.24Å; L507-F511 WeakPolarHBondContact O-CG 3.46Å; L507-F511 PolarHBondContact O-N 2.69Å
508	S	77.7	Confident	78.7	Confident	15 Å²	15	71.9 Å²	71.9	11%	0.105	35%	0.354	C	S	.	.	H	α-helix	trans	-57.8	-44.5	174.5	-59.6	0	0	0	0	110.9	I504 A505 L512	I504-S508 WeakPolarHBondContact O-CB 3.36Å; I504-S508 PolarHBondContact O-N 2.92Å; I504-S508 PolarHBondContact O-OG 3.3Å; A505-S508 PolarHBondContact O-N 3.19Å; S508-L512 WeakPolarHBondContact O-CB 3.46Å; S508-L512 WeakPolarHBondContact O-CD1 3.49Å; S508-L512 WeakPolarHBondContact O-CG 3.37Å; S508-L512 PolarHBondContact O-N 3.23Å
509	D	68.8	Low	77.6	Confident	85 Å²	85	68.6 Å²	68.6	46%	0.455	34%	0.342	S	S	.	.	H	α-helix	trans	-72.1	-34.2	179.2	-78.7	-5.3	0	0	0	113.8	A505 L507 R513	A505-D509 WeakPolarHBondContact O-CB 3.25Å; A505-D509 PolarHBondContact O-N 3.39Å; L507-D509 VanDerWaalsContact C-N 3.28Å; L507-D509 PolarHBondContact O-N 3.39Å; D509-R513 WeakPolarHBondContact O-CG 3.38Å; D509-R513 PolarHBondContact O-NE 3.49Å
510	S	64.6	Low	76.3	Confident	35 Å²	35	70.7 Å²	70.7	25%	0.245	35%	0.353	C	S	.	.	H	α-helix	trans	-69.6	-41.9	174.6	64.2	0	0	0	0	111.3	D506 L507 L512 R513	D506-S510 WeakPolarHBondContact O-CB 3.48Å; D506-S510 PolarHBondContact O-N 3.44Å; D506-S510 PolarHBondContact O-OG 3.01Å; L507-S510 WeakPolarHBondContact CA-OG 3.43Å; L507-S510 PolarHBondContact O-N 3.37Å; L507-S510 PolarHBondContact O-OG 3.24Å; L507-S510 VanDerWaalsContact O-OG 3.06Å; S510-L512 VanDerWaalsContact C-N 3.31Å; S510-L512 PolarHBondContact O-N 3.03Å; S510-R513 PolarHBondContact O-N 3.28Å; S510-R513 VanDerWaalsContact O-N 3.13Å
511	F	61.1	Low	74.8	Confident	35 Å²	35	75.4 Å²	75.4	15%	0.154	38%	0.377	C	S	.	.	H	α-helix	trans	-71.1	-26.4	179.9	-67	-49.7	0	0	0	113	L56 K59 I98 L507 R513	L56-F511 HydrophobicContact CD1-CD2 4.28Å; L56-F511 HydrophobicContact CD1-CE2 3.69Å; K59-F511 HydrophobicContact CG-CD1 4.43Å; K59-F511 HydrophobicContact CG-CD2 4.33Å; K59-F511 HydrophobicContact CG-CE1 4.42Å; K59-F511 HydrophobicContact CG-CE2 4.33Å; K59-F511 HydrophobicContact CG-CG 4.42Å; K59-F511 HydrophobicContact CG-CZ 4.39Å; I98-F511 HydrophobicContact CD1-CZ 3.99Å; L507-F511 HydrophobicContact CB-CD2 4.08Å; L507-F511 HydrophobicContact CB-CE2 3.74Å; L507-F511 HydrophobicContact CD2-CE2 3.76Å; L507-F511 HydrophobicContact CD2-CZ 3.92Å; L507-F511 HydrophobicContact CG-CE2 4.23Å; L507-F511 WeakPolarHBondContact O-CB 3.32Å; L507-F511 WeakPolarHBondContact O-CD2 3.48Å; L507-F511 VanDerWaalsContact O-CG 3.24Å; L507-F511 WeakPolarHBondContact O-CG 3.46Å; L507-F511 PolarHBondContact O-N 2.69Å; F511-R513 PolarHBondContact O-N 3.21Å
512	L	49.4	Very low	73.1	Confident	116 Å²	116	75.3 Å²	75.3	61%	0.607	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.1	-16.1	171.5	-74.9	169.8	0	0	0	113.7	S508 S510	S508-L512 WeakPolarHBondContact O-CB 3.46Å; S508-L512 WeakPolarHBondContact O-CD1 3.49Å; S508-L512 WeakPolarHBondContact O-CG 3.37Å; S508-L512 PolarHBondContact O-N 3.23Å; S510-L512 VanDerWaalsContact C-N 3.31Å; S510-L512 PolarHBondContact O-N 3.03Å
513	R	53.2	Low	71.3	Confident	199 Å²	199	72.8 Å²	72.8	75%	0.751	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.3	-13.8	177.1	-65.6	178.6	-141.3	-152.7	3.6	113.7	D509 S510 F511	D509-R513 WeakPolarHBondContact O-CG 3.38Å; D509-R513 PolarHBondContact O-NE 3.49Å; S510-R513 PolarHBondContact O-N 3.28Å; S510-R513 VanDerWaalsContact O-N 3.13Å; F511-R513 PolarHBondContact O-N 3.21Å
514	E	50.4	Low	69.1	Low	152 Å²	152	78.2 Å²	78.2	71%	0.71	39%	0.392	S	S	*	.			trans	-94.1	-3.3	176.4	-68.6	179.5	174.3	0	0	112.9
515	L	37.4	Very low	66.6	Low	198 Å²	198	84.9 Å²	84.9	100%	1.037	43%	0.426	S	S	*	.			trans	-98.3	0	166.9	-70.7	168.6	0	0	0	110

Retrieved 515 of 515 residues in 137.4 ms (Link to these results)

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