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Xylosyl- and glucuronyltransferase LARGE1

Bifunctional glycosyltransferase with both alpha-1,3-xylosyltransferase and beta-1,3-glucuronyltransferase activities involved in the maturation of alpha-dystroglycan (DAG1) by glycosylation leading to DAG1 binding to laminin G-like domain-containing extracellular proteins with high affinity^{1,2,3,4,5,6,7}. Elongates the glucuronyl-beta-1,4-xylose-beta disaccharide primer structure initiated by B4GAT1 by adding repeating units [-3-Xylose-alpha-1,3-GlcA-beta-1-] to produce a heteropolysaccharide^{8,9,10,11,12,13}. Requires the phosphorylation of core M3 (O-mannosyl trisaccharide) by POMK to elongate the glucuronyl-beta-1,4-xylose-beta disaccharide primer¹⁴. Plays a key role in skeletal muscle function and regeneration (By similarity).

AlphaFold DB , UniProt , Accession O95461, Species HUMAN (Homo sapiens, Human), Gene LARGE1, Length 756 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	34.8	Very low	45	Very low	243 Å²	243	163.5 Å²	163.5	100%	1.197	81%	0.806	S	S	*	*				0	48.6	0	-69.6	-163.6	-167	0	0	112.5
2	L	32.5	Very low	46	Very low	186 Å²	186	158.7 Å²	158.7	97%	0.974	79%	0.785	S	S	*	*			trans	-105.8	18.7	-177.4	-88.9	152.6	0	0	0	112.9
3	G	39.1	Very low	46.8	Very low	68 Å²	68	150.8 Å²	150.8	70%	0.701	76%	0.761	S	S	*	*	S	Bend	trans	-98.8	-14.5	-170.4	0	0	0	0	0	117.1
4	I	43.9	Very low	47.4	Very low	156 Å²	156	143.8 Å²	143.8	80%	0.8	74%	0.737	S	S	*	*	S	Bend	trans	-108.1	-8.7	-163.9	-63	177.3	0	0	0	114.5
5	C	45.2	Very low	48.1	Very low	115 Å²	115	138.1 Å²	138.1	78%	0.777	72%	0.715	S	S	*	*	S	Bend	trans	-94.3	-4.9	-177.9	-73.3	0	0	0	0	116.4
6	R	45	Very low	48.4	Very low	222 Å²	222	136.1 Å²	136.1	84%	0.838	71%	0.705	S	S	*	*	S	Bend	trans	-88.8	-22.8	178.8	-92.8	-179.1	167	172.6	-3.3	114.7
7	G	47.5	Very low	48.8	Very low	50 Å²	50	132.3 Å²	132.3	52%	0.515	69%	0.693	S	S	.	*	H	α-helix	trans	-71.5	-39.4	-178.8	0	0	0	0	0	114	R9 K10 F11	G7-R9 PolarHBondContact O-N 3.45Å; G7-K10 PolarHBondContact O-N 2.96Å; G7-F11 PolarHBondContact O-N 3.26Å
8	R	49.7	Very low	49.1	Very low	209 Å²	209	132.4 Å²	132.4	79%	0.789	69%	0.694	S	S	*	*	H	α-helix	trans	-70.5	-31.4	-176.1	-89.1	-177.9	167.5	-179.2	-3.8	114.2	L12	R8-L12 PolarHBondContact O-N 3.49Å; R8-L12 VanDerWaalsContact O-N 3.14Å
9	R	49.9	Very low	49.4	Very low	214 Å²	214	132.6 Å²	132.6	81%	0.808	70%	0.695	S	S	*	*	H	α-helix	trans	-69.7	-34.2	178	-86.2	-174.3	171.1	-176.4	-1.6	113.2	G7 A13	G7-R9 PolarHBondContact O-N 3.45Å; R9-A13 WeakPolarHBondContact O-CB 3.35Å; R9-A13 PolarHBondContact O-N 3.07Å; R9-A13 VanDerWaalsContact O-N 3.14Å
10	K	51.9	Low	49.5	Very low	171 Å²	171	128.8 Å²	128.8	74%	0.743	68%	0.679	S	S	*	*	H	α-helix	trans	-71.7	-36.8	176.8	-74.2	-171	174.8	-174.4	0	112.3	G7 A14	G7-K10 PolarHBondContact O-N 2.96Å; K10-A14 WeakPolarHBondContact O-CB 3.3Å; K10-A14 PolarHBondContact O-N 3.01Å
11	F	55.5	Low	49.7	Very low	164 Å²	164	128 Å²	128	72%	0.719	67%	0.674	S	S	*	*	H	α-helix	trans	-69.6	-41.3	177.8	-116.5	-85.8	0	0	0	112.7	G7 A14 S15	G7-F11 PolarHBondContact O-N 3.26Å; F11-A14 PolarHBondContact O-N 3.42Å; F11-S15 PolarHBondContact O-N 2.67Å; F11-S15 PolarHBondContact O-OG 3.43Å
12	L	57.7	Low	50.6	Low	106 Å²	106	119.8 Å²	119.8	56%	0.555	64%	0.639	S	S	*	*	H	α-helix	trans	-64.9	-40.3	174.7	-98.9	139.4	0	0	0	112.4	R8 S15 L16	R8-L12 PolarHBondContact O-N 3.49Å; R8-L12 VanDerWaalsContact O-N 3.14Å; L12-S15 PolarHBondContact O-N 2.92Å; L12-S15 PolarHBondContact O-OG 2.9Å; L12-L16 HydrophobicContact CD2-CD1 4.48Å; L12-L16 WeakPolarHBondContact O-CB 3.38Å; L12-L16 PolarHBondContact O-N 3.49Å
13	A	55.8	Low	51.7	Low	57 Å²	57	113.4 Å²	113.4	47%	0.471	61%	0.613	S	S	.	*	H	α-helix	trans	-65	-41.3	175.5	0	0	0	0	0	112.1	R9 S17	R9-A13 WeakPolarHBondContact O-CB 3.35Å; R9-A13 PolarHBondContact O-N 3.07Å; R9-A13 VanDerWaalsContact O-N 3.14Å; A13-S17 PolarHBondContact O-N 3.47Å; A13-S17 VanDerWaalsContact O-N 3.11Å; A13-S17 PolarHBondContact O-OG 3.05Å
14	A	55	Low	52.5	Low	52 Å²	52	115.4 Å²	115.4	43%	0.43	61%	0.606	S	S	.	*	H	α-helix	trans	-68	-38.7	178.4	0	0	0	0	0	112.7	K10 F11 S17 L18	K10-A14 WeakPolarHBondContact O-CB 3.3Å; K10-A14 PolarHBondContact O-N 3.01Å; F11-A14 PolarHBondContact O-N 3.42Å; A14-S17 PolarHBondContact O-N 2.82Å; A14-L18 PolarHBondContact O-N 2.76Å; A14-L18 VanDerWaalsContact O-N 3.16Å
15	S	58	Low	52.9	Low	59 Å²	59	111.5 Å²	111.5	41%	0.413	59%	0.59	S	S	.	*	H	α-helix	trans	-74.6	-31.6	179.5	38.2	0	0	0	0	113.1	F11 L12 L19	F11-S15 PolarHBondContact O-N 2.67Å; F11-S15 PolarHBondContact O-OG 3.43Å; L12-S15 PolarHBondContact O-N 2.92Å; L12-S15 PolarHBondContact O-OG 2.9Å; S15-L19 PolarHBondContact O-N 3.5Å
16	L	53.3	Low	53.1	Low	105 Å²	105	114.5 Å²	114.5	55%	0.55	59%	0.585	S	S	.	*	H	α-helix	trans	-68.5	-37.7	169.9	-89.2	149.9	0	0	0	112.4	L12 L18 L19 C20	L12-L16 HydrophobicContact CD2-CD1 4.48Å; L12-L16 WeakPolarHBondContact O-CB 3.38Å; L12-L16 PolarHBondContact O-N 3.49Å; L16-L18 VanDerWaalsContact C-N 3.35Å; L16-L18 PolarHBondContact O-N 3Å; L16-L19 PolarHBondContact O-N 3.34Å; L16-C20 WeakPolarHBondContact O-CB 3.5Å; L16-C20 PolarHBondContact O-N 3.32Å; L16-C20 PolarHBondContact O-SG 3.48Å; L16-C20 VanDerWaalsContact O-SG 3.37Å
17	S	54.5	Low	53.5	Low	72 Å²	72	109.2 Å²	109.2	50%	0.503	57%	0.572	S	S	.	*	H	α-helix	trans	-64.8	-37.5	175.5	-59.6	0	0	0	0	112.7	A13 A14 I21	A13-S17 PolarHBondContact O-N 3.47Å; A13-S17 VanDerWaalsContact O-N 3.11Å; A13-S17 PolarHBondContact O-OG 3.05Å; A14-S17 PolarHBondContact O-N 2.82Å; S17-I21 VanDerWaalsContact O-CD1 3.31Å; S17-I21 WeakPolarHBondContact O-CD1 3.47Å; S17-I21 VanDerWaalsContact O-CG1 3.23Å; S17-I21 WeakPolarHBondContact O-CG1 3.39Å; S17-I21 PolarHBondContact O-N 2.88Å
18	L	54.1	Low	53.7	Low	134 Å²	134	116 Å²	116	70%	0.702	58%	0.584	S	S	*	*	H	α-helix	trans	-71.7	-27.3	178.2	-97.5	132	0	0	0	113.6	A14 L16 P22	A14-L18 PolarHBondContact O-N 2.76Å; A14-L18 VanDerWaalsContact O-N 3.16Å; L16-L18 VanDerWaalsContact C-N 3.35Å; L16-L18 PolarHBondContact O-N 3Å; L18-P22 WeakPolarHBondContact O-CD 3.39Å
19	L	54.5	Low	53.6	Low	136 Å²	136	112.3 Å²	112.3	71%	0.712	58%	0.579	S	S	*	*	H	α-helix	trans	-85.8	-25.5	175.7	-78	165.5	0	0	0	113.5	S15 L16	S15-L19 PolarHBondContact O-N 3.5Å; L16-L19 PolarHBondContact O-N 3.34Å
20	C	52.4	Low	53.5	Low	57 Å²	57	109.2 Å²	109.2	39%	0.385	57%	0.571	S	S	.	*	H	α-helix	trans	-84.1	-22.9	-179.4	-70.8	0	0	0	0	114	L16 A23 I24	L16-C20 WeakPolarHBondContact O-CB 3.5Å; L16-C20 PolarHBondContact O-N 3.32Å; L16-C20 PolarHBondContact O-SG 3.48Å; L16-C20 VanDerWaalsContact O-SG 3.37Å; C20-A23 PolarHBondContact O-N 2.88Å; C20-I24 HydrophobicContact CB-CD1 4.29Å; C20-I24 WeakPolarHBondContact O-CB 3.43Å; C20-I24 VanDerWaalsContact O-CG1 3.27Å; C20-I24 WeakPolarHBondContact O-CG1 3.38Å; C20-I24 PolarHBondContact O-N 3.18Å
21	I	54.1	Low	53.1	Low	112 Å²	112	105.1 Å²	105.1	57%	0.574	56%	0.564	S	S	*	*	H	α-helix	trans	-65	-42.6	-179.4	-67	162	0	0	0	112.5	S17 T25	S17-I21 VanDerWaalsContact O-CD1 3.31Å; S17-I21 WeakPolarHBondContact O-CD1 3.47Å; S17-I21 VanDerWaalsContact O-CG1 3.23Å; S17-I21 WeakPolarHBondContact O-CG1 3.39Å; S17-I21 PolarHBondContact O-N 2.88Å; I21-T25 PolarHBondContact O-N 2.86Å; I21-T25 VanDerWaalsContact O-N 3.1Å; I21-T25 PolarHBondContact O-OG1 3.43Å
22	P	52.5	Low	51.9	Low	71 Å²	71	100.5 Å²	100.5	46%	0.461	56%	0.563	S	S	.	*	H	α-helix	trans	-66.6	-36.3	174.2	-19.5	31.7	0	0	0	112.7	L18 T25 W26	L18-P22 WeakPolarHBondContact O-CD 3.39Å; P22-T25 WeakPolarHBondContact CA-OG1 3.34Å; P22-T25 PolarHBondContact O-OG1 3.29Å; P22-T25 VanDerWaalsContact O-OG1 3.07Å; P22-W26 WeakPolarHBondContact O-CB 3.05Å; P22-W26 PolarHBondContact O-N 2.83Å
23	A	55.7	Low	50.7	Low	51 Å²	51	99.8 Å²	99.8	42%	0.421	57%	0.567	S	S	.	*	H	α-helix	trans	-70.5	-39.3	-179.9	0	0	0	0	0	112.3	C20 W26 I27	C20-A23 PolarHBondContact O-N 2.88Å; A23-W26 PolarHBondContact O-N 3.24Å; A23-I27 WeakPolarHBondContact O-CG1 3.14Å; A23-I27 PolarHBondContact O-N 3.01Å
24	I	57.1	Low	49.4	Very low	110 Å²	110	106.8 Å²	106.8	56%	0.564	59%	0.587	S	S	*	*	H	α-helix	trans	-71.2	-36.2	177.3	-65.7	167.8	0	0	0	110.6	C20 I27 Y28	C20-I24 HydrophobicContact CB-CD1 4.29Å; C20-I24 WeakPolarHBondContact O-CB 3.43Å; C20-I24 VanDerWaalsContact O-CG1 3.27Å; C20-I24 WeakPolarHBondContact O-CG1 3.38Å; C20-I24 PolarHBondContact O-N 3.18Å; I24-I27 PolarHBondContact O-N 2.86Å; I24-Y28 VanDerWaalsContact O-CB 3.26Å; I24-Y28 WeakPolarHBondContact O-CB 3.42Å; I24-Y28 PolarHBondContact O-N 3.38Å
25	T	51.5	Low	48.2	Very low	74 Å²	74	113.1 Å²	113.1	45%	0.454	61%	0.608	S	S	.	*	H	α-helix	trans	-69.2	-34.8	173.5	37.6	0	0	0	0	112.4	I21 P22 L29	I21-T25 PolarHBondContact O-N 2.86Å; I21-T25 VanDerWaalsContact O-N 3.1Å; I21-T25 PolarHBondContact O-OG1 3.43Å; P22-T25 WeakPolarHBondContact CA-OG1 3.34Å; P22-T25 PolarHBondContact O-OG1 3.29Å; P22-T25 VanDerWaalsContact O-OG1 3.07Å; T25-L29 WeakPolarHBondContact O-CB 3.37Å; T25-L29 VanDerWaalsContact O-CG 3.3Å; T25-L29 WeakPolarHBondContact O-CG 2.94Å; T25-L29 PolarHBondContact O-N 2.92Å
26	W	49.9	Very low	46.9	Very low	179 Å²	179	118.1 Å²	118.1	68%	0.678	63%	0.63	S	S	*	*	H	α-helix	trans	-67.5	-43.5	172	-102.4	59.7	0	0	0	113.1	P22 A23 Y28 L29 F30	P22-W26 WeakPolarHBondContact O-CB 3.05Å; P22-W26 PolarHBondContact O-N 2.83Å; A23-W26 PolarHBondContact O-N 3.24Å; W26-Y28 VanDerWaalsContact C-N 3.34Å; W26-L29 PolarHBondContact O-N 3.42Å; W26-F30 HydrophobicContact CE3-CD2 4.46Å; W26-F30 HydrophobicContact CE3-CE2 4.43Å; W26-F30 WeakPolarHBondContact O-CD2 3.31Å; W26-F30 PolarHBondContact O-N 3.23Å
27	I	53.4	Low	45.8	Very low	110 Å²	110	116.6 Å²	116.6	56%	0.564	64%	0.64	S	S	*	*	H	α-helix	trans	-64.6	-42.6	175.4	-67.4	169.2	0	0	0	109.6	A23 I24 L29 F30 S31	A23-I27 WeakPolarHBondContact O-CG1 3.14Å; A23-I27 PolarHBondContact O-N 3.01Å; I24-I27 PolarHBondContact O-N 2.86Å; I27-L29 VanDerWaalsContact C-N 3.32Å; I27-L29 PolarHBondContact O-N 3.42Å; I27-F30 PolarHBondContact O-N 3.16Å; I27-F30 VanDerWaalsContact O-N 3.16Å; I27-S31 VanDerWaalsContact O-CB 3.27Å; I27-S31 WeakPolarHBondContact O-CB 3.24Å; I27-S31 PolarHBondContact O-N 3.44Å; I27-S31 PolarHBondContact O-OG 3.01Å
28	Y	50.7	Low	44.5	Very low	194 Å²	194	122.7 Å²	122.7	76%	0.761	66%	0.657	S	S	*	*	H	α-helix	trans	-66.1	-31.7	179.3	-151.6	-90.5	0	0	0	113.4	I24 W26	I24-Y28 VanDerWaalsContact O-CB 3.26Å; I24-Y28 WeakPolarHBondContact O-CB 3.42Å; I24-Y28 PolarHBondContact O-N 3.38Å; W26-Y28 VanDerWaalsContact C-N 3.34Å
29	L	48.1	Very low	43.2	Very low	130 Å²	130	122.3 Å²	122.3	68%	0.681	66%	0.663	S	S	*	*	H	α-helix	trans	-76.1	-21	175.7	-77	167.1	0	0	0	113.5	T25 W26 I27	T25-L29 WeakPolarHBondContact O-CB 3.37Å; T25-L29 VanDerWaalsContact O-CG 3.3Å; T25-L29 WeakPolarHBondContact O-CG 2.94Å; T25-L29 PolarHBondContact O-N 2.92Å; W26-L29 PolarHBondContact O-N 3.42Å; I27-L29 VanDerWaalsContact C-N 3.32Å; I27-L29 PolarHBondContact O-N 3.42Å
30	F	48.2	Very low	42	Very low	149 Å²	149	121.7 Å²	121.7	65%	0.654	66%	0.664	S	S	*	*	H	α-helix	trans	-114.5	-14.8	-177.8	-78.9	-77.9	0	0	0	115.3	W26 I27	W26-F30 HydrophobicContact CE3-CD2 4.46Å; W26-F30 HydrophobicContact CE3-CE2 4.43Å; W26-F30 WeakPolarHBondContact O-CD2 3.31Å; W26-F30 PolarHBondContact O-N 3.23Å; I27-F30 PolarHBondContact O-N 3.16Å; I27-F30 VanDerWaalsContact O-N 3.16Å
31	S	42.2	Very low	40.7	Very low	85 Å²	85	124 Å²	124	59%	0.594	68%	0.681	S	S	*	*	S	Bend	trans	-94.3	3.5	177.1	72.1	0	0	0	0	113.9	I27	I27-S31 VanDerWaalsContact O-CB 3.27Å; I27-S31 WeakPolarHBondContact O-CB 3.24Å; I27-S31 PolarHBondContact O-N 3.44Å; I27-S31 PolarHBondContact O-OG 3.01Å
32	G	31.7	Very low	39.5	Very low	67 Å²	67	126.1 Å²	126.1	69%	0.691	69%	0.693	S	S	*	*	S	Bend	trans	-89.4	8.3	176.1	0	0	0	0	0	115.1
33	S	31.9	Very low	38.3	Very low	92 Å²	92	127.1 Å²	127.1	64%	0.643	70%	0.702	S	S	*	*	S	Bend	trans	-127.1	51.9	-174	-58.1	0	0	0	0	112.9
34	F	29.4	Very low	37	Very low	203 Å²	203	130.9 Å²	130.9	89%	0.89	72%	0.722	S	S	*	*			trans	-153.5	91.3	164.1	-91.5	-79	0	0	0	109.8
35	E	29.6	Very low	35.7	Very low	185 Å²	185	134 Å²	134	86%	0.864	74%	0.738	S	S	*	*	S	Bend	trans	-157.7	115	145.2	-112	174.1	-164.4	0	0	109.4
36	D	30.6	Very low	34.5	Very low	164 Å²	164	139 Å²	139	88%	0.877	76%	0.757	S	S	*	*			trans	61.1	73.5	154.6	-63.7	-15.3	0	0	0	120.7
37	G	30.7	Very low	33.3	Very low	74 Å²	74	136.1 Å²	136.1	76%	0.763	76%	0.764	S	S	*	*			trans	-130.1	92.2	153	0	0	0	0	0	110.5
38	K	26.1	Very low	32.1	Very low	200 Å²	200	140.3 Å²	140.3	87%	0.87	78%	0.781	S	S	*	*			trans	-42.3	127.5	-179.7	-72.4	175.4	176.7	174.5	0	112.4	V40	K38-V40 PolarHBondContact O-N 2.97Å
39	P	27.6	Very low	31	Very low	126 Å²	126	134.8 Å²	134.8	82%	0.818	78%	0.775	S	S	*	*			trans	-71.6	121	176.5	27.8	-30.3	0	0	0	109.2	S41	P39-S41 PolarHBondContact O-N 3.07Å
40	V	29.3	Very low	30	Very low	122 Å²	122	137 Å²	137	74%	0.739	78%	0.782	S	S	*	*			trans	-63.9	101.7	169.2	178.3	0	0	0	0	107.3	K38 L42	K38-V40 PolarHBondContact O-N 2.97Å; V40-L42 HydrophobicContact CG1-CD2 4.47Å; V40-L42 HydrophobicContact CG1-CG 4.22Å; V40-L42 PolarHBondContact O-N 3.31Å
41	S	24.6	Very low	29.1	Very low	105 Å²	105	135.3 Å²	135.3	73%	0.734	79%	0.788	S	S	*	*			trans	-64.2	95	171.5	173.7	0	0	0	0	109.1	P39	P39-S41 PolarHBondContact O-N 3.07Å
42	L	28.6	Very low	29	Very low	157 Å²	157	136.8 Å²	136.8	82%	0.822	80%	0.796	S	S	*	*			trans	-86.9	105.1	165.9	-71.8	168.6	0	0	0	107.8	V40	V40-L42 HydrophobicContact CG1-CD2 4.47Å; V40-L42 HydrophobicContact CG1-CG 4.22Å; V40-L42 PolarHBondContact O-N 3.31Å
43	S	27.6	Very low	29	Very low	93 Å²	93	144.8 Å²	144.8	65%	0.65	81%	0.806	S	S	*	*			trans	-52.7	143.2	175	-41.9	0	0	0	0	111.1	L45	S43-L45 PolarHBondContact O-N 2.89Å; S43-L45 VanDerWaalsContact O-N 3.14Å
44	P	28	Very low	29	Very low	130 Å²	130	151.3 Å²	151.3	84%	0.844	82%	0.817	S	S	*	*			trans	-72	111.6	-179.4	-0.2	16	0	0	0	109	E46	P44-E46 PolarHBondContact O-N 2.03Å
45	L	29.7	Very low	29.6	Very low	174 Å²	174	146 Å²	146	91%	0.911	80%	0.802	S	S	*	*			trans	-80.2	115.9	169.1	-132.9	87.7	0	0	0	108.1	S43	S43-L45 PolarHBondContact O-N 2.89Å; S43-L45 VanDerWaalsContact O-N 3.14Å
46	E	27.2	Very low	30.3	Very low	181 Å²	181	140.7 Å²	140.7	85%	0.846	79%	0.79	S	S	*	*			trans	-53.4	145	178.9	-72.8	172.7	141	0	0	112.9	P44 Q48	P44-E46 PolarHBondContact O-N 2.03Å; E46-Q48 PolarHBondContact O-N 3.14Å
47	S	24.5	Very low	31.2	Very low	118 Å²	118	137.4 Å²	137.4	83%	0.825	78%	0.78	S	S	*	*			trans	-51.4	115.6	173.3	50.8	0	0	0	0	112.8
48	Q	28	Very low	32.2	Very low	197 Å²	197	137.4 Å²	137.4	92%	0.921	77%	0.768	S	S	*	*			trans	-134.4	139.2	152.4	-76.9	-168.4	-2.6	0	0	110.7	E46	E46-Q48 PolarHBondContact O-N 3.14Å
49	A	26.5	Very low	33.8	Very low	78 Å²	78	133.3 Å²	133.3	65%	0.645	75%	0.752	S	S	*	*			trans	-86.1	159.3	-160.7	0	0	0	0	0	113.7
50	H	27.3	Very low	35.7	Very low	177 Å²	177	136.7 Å²	136.7	82%	0.819	75%	0.748	S	S	*	*			trans	78.5	112.3	156.6	-59.1	-64	0	0	0	120.4
51	S	30.6	Very low	37.6	Very low	113 Å²	113	137.8 Å²	137.8	79%	0.79	75%	0.745	S	S	*	*			trans	106.2	133.8	141.1	-61.7	0	0	0	0	118.5
52	P	39.8	Very low	39.6	Very low	116 Å²	116	141.7 Å²	141.7	75%	0.753	74%	0.744	S	S	*	*			trans	-94.2	130.5	-152.5	35.5	-29.5	0	0	0	112.5
53	R	32.1	Very low	41.8	Very low	236 Å²	236	139.5 Å²	139.5	89%	0.891	73%	0.729	S	S	*	*			trans	-126.2	87.6	167.2	-80.1	-175	175.9	178.6	-0.5	110.5	T55	R53-T55 PolarHBondContact O-N 3.04Å
54	Y	31.1	Very low	44.1	Very low	228 Å²	228	138.8 Å²	138.8	89%	0.894	72%	0.724	S	S	*	*			trans	-80.4	95.8	159.1	-87.6	-89.6	0	0	0	108.5
55	T	42.1	Very low	46.2	Very low	92 Å²	92	138.4 Å²	138.4	56%	0.564	72%	0.715	S	S	*	*			trans	-161.8	-10.3	160.6	37.3	0	0	0	0	115.4	R53	R53-T55 PolarHBondContact O-N 3.04Å
56	A	45	Very low	48.3	Very low	74 Å²	74	135 Å²	135	61%	0.612	69%	0.694	S	S	*	*	H	α-helix	trans	-77.4	-30.2	-169.3	0	0	0	0	0	115.9
57	S	48.5	Very low	51	Low	95 Å²	95	130.4 Å²	130.4	66%	0.664	68%	0.678	S	S	*	*	H	α-helix	trans	-78.3	-41.2	-174.7	64.8	0	0	0	0	113.3	Q59 R60 E61	S57-Q59 PolarHBondContact O-N 3.21Å; S57-R60 PolarHBondContact O-N 2.93Å; S57-E61 PolarHBondContact O-N 3.22Å
58	S	53	Low	53.6	Low	73 Å²	73	133.2 Å²	133.2	51%	0.51	67%	0.671	S	S	.	*	H	α-helix	trans	-68	-25.9	-179.5	60.4	0	0	0	0	112.9	R62	S58-R62 WeakPolarHBondContact O-CB 2.93Å; S58-R62 PolarHBondContact O-N 3.43Å
59	Q	58.5	Low	55.5	Low	114 Å²	114	129.2 Å²	129.2	53%	0.533	65%	0.653	S	S	.	*	H	α-helix	trans	-75.3	-40.2	-178.9	-143.5	167.7	-9.2	0	0	111.4	S57 R62 E63	S57-Q59 PolarHBondContact O-N 3.21Å; Q59-R62 PolarHBondContact O-N 2.8Å; Q59-E63 WeakPolarHBondContact O-CG 3.29Å; Q59-E63 PolarHBondContact O-N 2.97Å
60	R	67.2	Low	58.1	Low	197 Å²	197	133.7 Å²	133.7	74%	0.743	65%	0.654	S	S	*	*	H	α-helix	trans	-65	-40.2	175.1	-77.4	-171.4	-174.8	-177.3	2.3	113.2	S57 R62 S64	S57-R60 PolarHBondContact O-N 2.93Å; R60-R62 VanDerWaalsContact C-N 3.32Å; R60-S64 WeakPolarHBondContact O-CB 3.34Å; R60-S64 PolarHBondContact O-N 2.9Å
61	E	69.3	Low	60.9	Low	146 Å²	146	130.8 Å²	130.8	68%	0.682	64%	0.64	S	S	*	*	H	α-helix	trans	-64.4	-39.8	176.1	-75.8	-178.4	168.1	0	0	111.4	S57 S64 L65	S57-E61 PolarHBondContact O-N 3.22Å; E61-S64 PolarHBondContact O-N 2.85Å; E61-L65 PolarHBondContact O-N 3.49Å
62	R	65.9	Low	63.1	Low	187 Å²	187	128.7 Å²	128.7	71%	0.706	62%	0.623	S	S	*	*	H	α-helix	trans	-67	-43.8	177.9	-149.5	175.8	-169.1	174.7	2.2	112.1	S58 Q59 R60 L65 E66	S58-R62 WeakPolarHBondContact O-CB 2.93Å; S58-R62 PolarHBondContact O-N 3.43Å; Q59-R62 PolarHBondContact O-N 2.8Å; R60-R62 VanDerWaalsContact C-N 3.32Å; R62-L65 PolarHBondContact O-N 2.94Å; R62-E66 WeakPolarHBondContact O-CG 3.42Å; R62-E66 PolarHBondContact O-N 3.47Å
63	E	75	Confident	65.1	Low	110 Å²	110	127.5 Å²	127.5	51%	0.514	61%	0.607	S	S	.	*	H	α-helix	trans	-62.2	-41.8	174	-75.4	174.2	177.3	0	0	111.6	Q59 L65 E66 V67	Q59-E63 WeakPolarHBondContact O-CG 3.29Å; Q59-E63 PolarHBondContact O-N 2.97Å; E63-L65 VanDerWaalsContact C-N 3.32Å; E63-L65 PolarHBondContact O-N 2.93Å; E63-E66 PolarHBondContact O-N 3.28Å; E63-V67 VanDerWaalsContact O-CG2 3.3Å; E63-V67 WeakPolarHBondContact O-CG2 3.33Å; E63-V67 PolarHBondContact O-N 3.45Å
64	S	76.1	Confident	67.5	Low	78 Å²	78	122.3 Å²	122.3	55%	0.545	59%	0.593	S	S	.	*	H	α-helix	trans	-62.5	-38.2	175.4	179.2	0	0	0	0	112.5	R60 E61 R68	R60-S64 WeakPolarHBondContact O-CB 3.34Å; R60-S64 PolarHBondContact O-N 2.9Å; E61-S64 PolarHBondContact O-N 2.85Å; S64-R68 PolarHBondContact O-N 3.2Å
65	L	71.8	Confident	69.9	Low	122 Å²	122	117.6 Å²	117.6	64%	0.639	58%	0.579	S	S	*	*	H	α-helix	trans	-71	-40.2	178.3	-137.2	104.5	0	0	0	111.4	E61 R62 E63 R68 M69	E61-L65 PolarHBondContact O-N 3.49Å; R62-L65 PolarHBondContact O-N 2.94Å; E63-L65 VanDerWaalsContact C-N 3.32Å; E63-L65 PolarHBondContact O-N 2.93Å; L65-R68 PolarHBondContact O-N 3.42Å; L65-M69 PolarHBondContact O-N 3.46Å
66	E	75.2	Confident	71.5	Confident	104 Å²	104	117.2 Å²	117.2	49%	0.486	57%	0.574	S	S	.	*	H	α-helix	trans	-64.4	-40.5	176.4	-78.5	-178.7	-176.2	0	0	112.2	R62 E63 M69 R70	R62-E66 WeakPolarHBondContact O-CG 3.42Å; R62-E66 PolarHBondContact O-N 3.47Å; E63-E66 PolarHBondContact O-N 3.28Å; E66-M69 PolarHBondContact O-N 3.21Å; E66-R70 WeakPolarHBondContact O-CG 3.13Å; E66-R70 PolarHBondContact O-N 3.27Å
67	V	82.7	Confident	73.2	Confident	83 Å²	83	119.8 Å²	119.8	50%	0.503	57%	0.567	S	S	.	*	H	α-helix	trans	-61.5	-46.1	173.7	171.3	0	0	0	0	110.4	E63 M69 R70 E71	E63-V67 VanDerWaalsContact O-CG2 3.3Å; E63-V67 WeakPolarHBondContact O-CG2 3.33Å; E63-V67 PolarHBondContact O-N 3.45Å; V67-M69 PolarHBondContact O-N 2.97Å; V67-R70 PolarHBondContact O-N 2.81Å; V67-E71 PolarHBondContact O-N 3Å
68	R	79.7	Confident	74.7	Confident	178 Å²	178	117.6 Å²	117.6	67%	0.672	56%	0.555	S	S	*	*	H	α-helix	trans	-67.1	-35.7	-179.9	-165.8	143.2	-179.7	175.9	-0.6	113.1	S64 L65 E71 V72	S64-R68 PolarHBondContact O-N 3.2Å; L65-R68 PolarHBondContact O-N 3.42Å; R68-E71 PolarHBondContact O-N 3.25Å; R68-V72 WeakPolarHBondContact O-CG2 3.42Å; R68-V72 PolarHBondContact O-N 3.19Å; R68-V72 VanDerWaalsContact O-N 3.13Å
69	M	69.2	Low	75.7	Confident	113 Å²	113	118 Å²	118	56%	0.557	55%	0.551	S	S	*	*	H	α-helix	trans	-62.5	-42.7	171.5	-96.4	-174.6	67.3	0	0	111.8	L65 E66 V67 V72 E73	L65-M69 PolarHBondContact O-N 3.46Å; E66-M69 PolarHBondContact O-N 3.21Å; V67-M69 PolarHBondContact O-N 2.97Å; M69-V72 PolarHBondContact O-N 3.12Å; M69-E73 WeakPolarHBondContact O-CG 3.45Å; M69-E73 PolarHBondContact O-N 2.91Å
70	R	80.3	Confident	76.5	Confident	172 Å²	172	121.7 Å²	121.7	65%	0.649	56%	0.56	S	S	*	*	H	α-helix	trans	-63.9	-41.6	177.3	-77.4	-178.2	-178.1	170.9	5	112.4	E66 V67 V72 E73 E74	E66-R70 WeakPolarHBondContact O-CG 3.13Å; E66-R70 PolarHBondContact O-N 3.27Å; V67-R70 PolarHBondContact O-N 2.81Å; R70-V72 PolarHBondContact O-N 3.39Å; R70-E73 PolarHBondContact O-N 3.16Å; R70-E74 WeakPolarHBondContact O-CG 3.47Å; R70-E74 PolarHBondContact O-N 3.01Å
71	E	85.3	Confident	76.9	Confident	116 Å²	116	120.5 Å²	120.5	54%	0.542	56%	0.556	S	S	.	*	H	α-helix	trans	-59	-46.5	175.2	-73.7	176.9	163.9	0	0	111.4	V67 R68 E73 E74 E75	V67-E71 PolarHBondContact O-N 3Å; R68-E71 PolarHBondContact O-N 3.25Å; E71-E73 PolarHBondContact O-N 3.32Å; E71-E74 PolarHBondContact O-N 3.07Å; E71-E75 WeakPolarHBondContact O-CB 3.27Å; E71-E75 PolarHBondContact O-N 3.38Å
72	V	78.2	Confident	77	Confident	69 Å²	69	119.6 Å²	119.6	42%	0.418	55%	0.551	S	S	.	*	H	α-helix	trans	-65.6	-37.2	178	172.6	0	0	0	0	112	R68 M69 R70 N76	R68-V72 WeakPolarHBondContact O-CG2 3.42Å; R68-V72 PolarHBondContact O-N 3.19Å; R68-V72 VanDerWaalsContact O-N 3.13Å; M69-V72 PolarHBondContact O-N 3.12Å; R70-V72 PolarHBondContact O-N 3.39Å; V72-N76 WeakPolarHBondContact O-CB 3.5Å; V72-N76 PolarHBondContact O-N 3.25Å; V72-N76 PolarHBondContact O-ND2 2.72Å; V72-N76 VanDerWaalsContact O-ND2 3.1Å
73	E	80.6	Confident	76.9	Confident	91 Å²	91	115.6 Å²	115.6	43%	0.425	54%	0.544	S	S	.	.	H	α-helix	trans	-67.1	-37.9	174.8	-79.7	-171.4	-177.6	0	0	112.9	M69 R70 E71 R77	M69-E73 WeakPolarHBondContact O-CG 3.45Å; M69-E73 PolarHBondContact O-N 2.91Å; R70-E73 PolarHBondContact O-N 3.16Å; E71-E73 PolarHBondContact O-N 3.32Å; E73-R77 WeakPolarHBondContact O-CG 3.34Å; E73-R77 PolarHBondContact O-N 3.49Å; E73-R77 IonicContact OE2-NH2 3.96Å; E73-R77 PolarHBondContact OE2-NH2 2.63Å
74	E	82.2	Confident	76.7	Confident	126 Å²	126	113.7 Å²	113.7	59%	0.589	54%	0.542	S	S	*	.	H	α-helix	trans	-67.9	-42	175.4	-77.4	-172.6	168	0	0	111.7	R70 E71 N76 R77 A78	R70-E74 WeakPolarHBondContact O-CG 3.47Å; R70-E74 PolarHBondContact O-N 3.01Å; E71-E74 PolarHBondContact O-N 3.07Å; E74-N76 VanDerWaalsContact C-N 3.35Å; E74-N76 PolarHBondContact O-N 3.24Å; E74-R77 PolarHBondContact O-N 2.78Å; E74-A78 WeakPolarHBondContact O-CB 3.47Å; E74-A78 PolarHBondContact O-N 2.81Å
75	E	81.7	Confident	76.2	Confident	130 Å²	130	115.8 Å²	115.8	61%	0.607	55%	0.547	S	S	*	.	H	α-helix	trans	-61.6	-43.8	174.9	-161.3	174.7	-157.2	0	0	110.9	E71 R77 A78 L79	E71-E75 WeakPolarHBondContact O-CB 3.27Å; E71-E75 PolarHBondContact O-N 3.38Å; E75-R77 PolarHBondContact O-N 3.16Å; E75-A78 WeakPolarHBondContact O-CB 3.47Å; E75-A78 PolarHBondContact O-N 3.25Å; E75-L79 HydrophobicContact CG-CD1 4.47Å; E75-L79 WeakPolarHBondContact O-CB 3.43Å; E75-L79 PolarHBondContact O-N 2.93Å
76	N	76.1	Confident	75.4	Confident	84 Å²	84	113.4 Å²	113.4	45%	0.449	55%	0.545	S	S	.	.	H	α-helix	trans	-62.7	-39.3	173.6	-84.6	-44.2	0	0	0	113	V72 E74 R80	V72-N76 WeakPolarHBondContact O-CB 3.5Å; V72-N76 PolarHBondContact O-N 3.25Å; V72-N76 PolarHBondContact O-ND2 2.72Å; V72-N76 VanDerWaalsContact O-ND2 3.1Å; E74-N76 VanDerWaalsContact C-N 3.35Å; E74-N76 PolarHBondContact O-N 3.24Å; N76-R80 WeakPolarHBondContact O-CG 3.32Å; N76-R80 PolarHBondContact O-N 3.37Å
77	R	81.8	Confident	74.2	Confident	127 Å²	127	115.9 Å²	115.9	48%	0.479	56%	0.556	S	S	.	*	H	α-helix	trans	-66.4	-38.8	174.2	-79.9	-177.5	-124.2	153.3	-0.2	111.6	E73 E74 E75 R80 R81	E73-R77 WeakPolarHBondContact O-CG 3.34Å; E73-R77 PolarHBondContact O-N 3.49Å; E73-R77 IonicContact OE2-NH2 3.96Å; E73-R77 PolarHBondContact OE2-NH2 2.63Å; E74-R77 PolarHBondContact O-N 2.78Å; E75-R77 PolarHBondContact O-N 3.16Å; R77-R80 PolarHBondContact O-N 3.39Å; R77-R81 WeakPolarHBondContact O-CG 3.09Å; R77-R81 PolarHBondContact O-N 3.08Å
78	A	79.3	Confident	72.5	Confident	50 Å²	50	115 Å²	115	41%	0.413	56%	0.564	S	S	.	*	H	α-helix	trans	-64.6	-45	176.1	0	0	0	0	0	111.5	E74 E75 R80 R81 Q82	E74-A78 WeakPolarHBondContact O-CB 3.47Å; E74-A78 PolarHBondContact O-N 2.81Å; E75-A78 WeakPolarHBondContact O-CB 3.47Å; E75-A78 PolarHBondContact O-N 3.25Å; A78-R80 PolarHBondContact O-N 3.36Å; A78-R81 PolarHBondContact O-N 3.16Å; A78-Q82 PolarHBondContact O-N 2.86Å
79	L	73.3	Confident	70.4	Confident	81 Å²	81	117.4 Å²	117.4	42%	0.424	57%	0.573	S	S	.	*	H	α-helix	trans	-58.2	-45.5	173.3	-88.4	153.8	0	0	0	111.9	E75 R81 Q82 L83	E75-L79 HydrophobicContact CG-CD1 4.47Å; E75-L79 WeakPolarHBondContact O-CB 3.43Å; E75-L79 PolarHBondContact O-N 2.93Å; L79-R81 VanDerWaalsContact C-N 3.33Å; L79-R81 PolarHBondContact O-N 3.14Å; L79-Q82 PolarHBondContact O-N 3.23Å; L79-L83 WeakPolarHBondContact O-CB 3.35Å; L79-L83 WeakPolarHBondContact O-CG 3.31Å; L79-L83 PolarHBondContact O-N 2.97Å
80	R	76.2	Confident	68.7	Low	191 Å²	191	115.6 Å²	115.6	72%	0.721	58%	0.576	S	S	*	*	H	α-helix	trans	-61.2	-39.7	175.4	-75	179.4	-176.3	-172.1	2.6	112.5	N76 R77 A78 L83 S84	N76-R80 WeakPolarHBondContact O-CG 3.32Å; N76-R80 PolarHBondContact O-N 3.37Å; R77-R80 PolarHBondContact O-N 3.39Å; A78-R80 PolarHBondContact O-N 3.36Å; R80-L83 PolarHBondContact O-N 3.16Å; R80-S84 PolarHBondContact O-N 3.17Å; R80-S84 PolarHBondContact O-OG 3.12Å
81	R	74.6	Confident	66.7	Low	173 Å²	173	113.1 Å²	113.1	65%	0.653	58%	0.582	S	S	*	*	H	α-helix	trans	-67.1	-40	175.1	-72.6	178.8	-171.3	176.8	3.9	112.2	R77 A78 L79 S84 L85	R77-R81 WeakPolarHBondContact O-CG 3.09Å; R77-R81 PolarHBondContact O-N 3.08Å; A78-R81 PolarHBondContact O-N 3.16Å; L79-R81 VanDerWaalsContact C-N 3.33Å; L79-R81 PolarHBondContact O-N 3.14Å; R81-S84 WeakPolarHBondContact CA-OG 3.34Å; R81-S84 PolarHBondContact O-N 3.31Å; R81-S84 PolarHBondContact O-OG 3.43Å; R81-L85 WeakPolarHBondContact O-CB 3.5Å; R81-L85 VanDerWaalsContact O-CG 3.3Å; R81-L85 WeakPolarHBondContact O-CG 3.45Å; R81-L85 PolarHBondContact O-N 3.41Å
82	Q	72.5	Confident	64	Low	126 Å²	126	113.1 Å²	113.1	59%	0.589	60%	0.595	S	S	*	*	H	α-helix	trans	-64.1	-42.3	174.7	-77	-176.8	-13.5	0	0	111.3	A78 L79 L85 A86	A78-Q82 PolarHBondContact O-N 2.86Å; L79-Q82 PolarHBondContact O-N 3.23Å; Q82-L85 PolarHBondContact O-N 3.29Å; Q82-A86 WeakPolarHBondContact O-CB 3.34Å; Q82-A86 PolarHBondContact O-N 3.13Å
83	L	63.7	Low	61.9	Low	104 Å²	104	118.7 Å²	118.7	55%	0.545	62%	0.616	S	S	.	*	H	α-helix	trans	-62.4	-43	174.6	-77.3	160	0	0	0	111.7	L79 R80 L85 A86 Q87	L79-L83 WeakPolarHBondContact O-CB 3.35Å; L79-L83 WeakPolarHBondContact O-CG 3.31Å; L79-L83 PolarHBondContact O-N 2.97Å; R80-L83 PolarHBondContact O-N 3.16Å; L83-L85 PolarHBondContact O-N 3.16Å; L83-A86 PolarHBondContact O-N 2.82Å; L83-Q87 WeakPolarHBondContact O-CG 3.26Å; L83-Q87 PolarHBondContact O-N 3.29Å
84	S	69.8	Low	59.5	Low	69 Å²	69	125.5 Å²	125.5	48%	0.483	64%	0.638	S	S	.	*	H	α-helix	trans	-66.6	-36.3	175.8	66.1	0	0	0	0	112.6	R80 R81 Q87 G88	R80-S84 PolarHBondContact O-N 3.17Å; R80-S84 PolarHBondContact O-OG 3.12Å; R81-S84 WeakPolarHBondContact CA-OG 3.34Å; R81-S84 PolarHBondContact O-N 3.31Å; R81-S84 PolarHBondContact O-OG 3.43Å; S84-Q87 PolarHBondContact O-N 3.03Å; S84-G88 PolarHBondContact O-N 3.26Å
85	L	66.5	Low	57	Low	122 Å²	122	131.7 Å²	131.7	64%	0.639	66%	0.656	S	S	*	*	H	α-helix	trans	-70.3	-35.6	175.6	-76.8	165.4	0	0	0	112.1	R81 Q82 L83 Q87 G88 R89	R81-L85 WeakPolarHBondContact O-CB 3.5Å; R81-L85 VanDerWaalsContact O-CG 3.3Å; R81-L85 WeakPolarHBondContact O-CG 3.45Å; R81-L85 PolarHBondContact O-N 3.41Å; Q82-L85 PolarHBondContact O-N 3.29Å; L83-L85 PolarHBondContact O-N 3.16Å; L85-Q87 VanDerWaalsContact C-N 3.33Å; L85-G88 PolarHBondContact O-N 3.1Å; L85-R89 PolarHBondContact O-N 3.22Å
86	A	55.2	Low	54.6	Low	72 Å²	72	129.4 Å²	129.4	60%	0.595	67%	0.667	S	S	*	*	H	α-helix	trans	-66.1	-37.3	174.2	0	0	0	0	0	111.3	Q82 L83	Q82-A86 WeakPolarHBondContact O-CB 3.34Å; Q82-A86 PolarHBondContact O-N 3.13Å; L83-A86 PolarHBondContact O-N 2.82Å
87	Q	48.7	Very low	52.3	Low	156 Å²	156	133 Å²	133	73%	0.729	69%	0.687	S	S	*	*	H	α-helix	trans	-72.4	-28.7	174.6	-71.3	176.9	-4.6	0	0	112.9	L83 S84 L85 R89	L83-Q87 WeakPolarHBondContact O-CG 3.26Å; L83-Q87 PolarHBondContact O-N 3.29Å; S84-Q87 PolarHBondContact O-N 3.03Å; L85-Q87 VanDerWaalsContact C-N 3.33Å; Q87-R89 VanDerWaalsContact C-N 3.33Å; Q87-R89 PolarHBondContact O-N 2.79Å
88	G	47.1	Very low	49.9	Very low	64 Å²	64	136 Å²	136	66%	0.66	71%	0.705	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.8	-6.1	178.3	0	0	0	0	0	116.1	S84 L85	S84-G88 PolarHBondContact O-N 3.26Å; L85-G88 PolarHBondContact O-N 3.1Å
89	R	36	Very low	47.3	Very low	229 Å²	229	138.3 Å²	138.3	86%	0.864	72%	0.719	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.4	11.5	-179.6	-88.3	-174	175.8	-177.4	-0	115.1	L85 Q87	L85-R89 PolarHBondContact O-N 3.22Å; Q87-R89 VanDerWaalsContact C-N 3.33Å; Q87-R89 PolarHBondContact O-N 2.79Å
90	A	33.9	Very low	45.2	Very low	75 Å²	75	143.4 Å²	143.4	62%	0.62	74%	0.737	S	S	*	*	S	Bend	trans	-77.9	130.3	167.6	0	0	0	0	0	110.3	S92	A90-S92 PolarHBondContact O-N 3.45Å
91	P	37.5	Very low	42.9	Very low	120 Å²	120	140.2 Å²	140.2	78%	0.779	74%	0.74	S	S	*	*			trans	-67.4	134.1	-168	5	0.9	0	0	0	112.6	H93	P91-H93 PolarHBondContact O-N 3.13Å; P91-H93 VanDerWaalsContact O-N 3.07Å
92	S	30.2	Very low	40.5	Very low	116 Å²	116	143.6 Å²	143.6	81%	0.811	75%	0.754	S	S	*	*			trans	-49.2	101.4	174.9	48.6	0	0	0	0	113.8	A90	A90-S92 PolarHBondContact O-N 3.45Å
93	H	33.4	Very low	38.4	Very low	187 Å²	187	142.9 Å²	142.9	87%	0.866	76%	0.763	S	S	*	*			trans	-97.3	110	156.3	-96.1	-77.1	0	0	0	110.3	P91	P91-H93 PolarHBondContact O-N 3.13Å; P91-H93 VanDerWaalsContact O-N 3.07Å
94	R	30.7	Very low	36.6	Very low	234 Å²	234	146.9 Å²	146.9	88%	0.883	78%	0.781	S	S	*	*			trans	-14.9	128.2	171.3	-67.8	174.8	174	-176.1	-2.2	119.1
95	R	28.2	Very low	34.7	Very low	256 Å²	256	152.6 Å²	152.6	97%	0.966	80%	0.8	S	S	*	*			trans	40.1	108.7	134.7	-83	-177.3	173.2	178.5	-1.8	118
96	G	31.5	Very low	32.8	Very low	82 Å²	82	155.6 Å²	155.6	85%	0.845	81%	0.811	S	S	*	*			trans	-147.3	94.4	151.8	0	0	0	0	0	109.5	H98	G96-H98 PolarHBondContact O-N 2.87Å
97	N	28.1	Very low	31.4	Very low	160 Å²	160	155.8 Å²	155.8	86%	0.856	82%	0.82	S	S	*	*			trans	-65.1	123.8	165.2	-109.1	-2.8	0	0	0	107.4
98	H	31.8	Very low	30.4	Very low	188 Å²	188	155.2 Å²	155.2	87%	0.87	83%	0.827	S	S	*	*			trans	-168.7	107.4	138.6	-95.9	2.3	0	0	0	111.5	G96	G96-H98 PolarHBondContact O-N 2.87Å
99	S	25.4	Very low	29.3	Very low	100 Å²	100	155.4 Å²	155.4	70%	0.699	83%	0.829	S	S	*	*			trans	-59.9	133	150.7	55.6	0	0	0	0	110
100	K	29.1	Very low	28.9	Very low	187 Å²	187	152.2 Å²	152.2	81%	0.813	83%	0.829	S	S	*	*				161	120.7	122.1	-92.2	178.8	177.7	-177.4	0	111.6
101	T	28.1	Very low	28.8	Very low	125 Å²	125	154.6 Å²	154.6	77%	0.767	84%	0.842	S	S	*	*			trans	48.9	108	140	45.4	0	0	0	0	119	S103	T101-S103 PolarHBondContact O-N 3.18Å
102	Y	22.9	Very low	28.3	Very low	243 Å²	243	156.8 Å²	156.8	95%	0.953	84%	0.841	S	S	*	*			trans	-41.9	119	152.5	-78.8	-102.8	0	0	0	112.2
103	S	28.6	Very low	28.2	Very low	112 Å²	112	157.3 Å²	157.3	78%	0.783	84%	0.835	S	S	*	*			trans	-136.6	116.3	150.6	59.8	0	0	0	0	107.9	T101	T101-S103 PolarHBondContact O-N 3.18Å
104	M	25.5	Very low	27.9	Very low	187 Å²	187	156.6 Å²	156.6	92%	0.921	84%	0.837	S	S	*	*			trans	-52.9	128.2	161.7	-78.1	-93.2	-144	0	0	109
105	E	30.3	Very low	27.9	Very low	189 Å²	189	157.6 Å²	157.6	88%	0.883	84%	0.841	S	S	*	*			trans	-160.2	121.8	146.7	-112	167.6	-152.2	0	0	110.4
106	E	27.7	Very low	28	Very low	186 Å²	186	150.7 Å²	150.7	87%	0.869	84%	0.839	S	S	*	*			trans	3.2	131.2	159.2	-66.6	175.8	159.1	0	0	120.1
107	G	25.2	Very low	27.8	Very low	75 Å²	75	149.9 Å²	149.9	77%	0.773	83%	0.83	S	S	*	*			trans	-68.6	147.4	174.9	0	0	0	0	0	113.9
108	T	27.2	Very low	27.8	Very low	144 Å²	144	150 Å²	150	88%	0.883	83%	0.829	S	S	*	*			trans	-152.9	137.7	153.7	41.8	0	0	0	0	108.9
109	G	25.2	Very low	27.9	Very low	69 Å²	69	148 Å²	148	71%	0.711	83%	0.83	S	S	*	*			trans	88.2	96.9	142.1	0	0	0	0	0	118.6
110	D	27.4	Very low	28.2	Very low	161 Å²	161	148.1 Å²	148.1	86%	0.861	84%	0.836	S	S	*	*			trans	21.9	118.8	130.7	-62.2	-26.4	0	0	0	118.8
111	S	31.7	Very low	28.2	Very low	126 Å²	126	142.1 Å²	142.1	88%	0.881	83%	0.828	S	S	*	*			trans	-150.6	101.3	145.9	-78.6	0	0	0	0	109.8
112	E	26	Very low	28.5	Very low	165 Å²	165	144.2 Å²	144.2	77%	0.771	84%	0.835	S	S	*	*			trans	-57.8	154.9	160.5	-73.6	-162.2	147.4	0	0	112.2
113	N	27.5	Very low	29.2	Very low	127 Å²	127	138 Å²	138	68%	0.679	83%	0.827	S	S	*	*			trans	66.1	95	149.1	-61.7	-28.8	0	0	0	118.2
114	L	27.8	Very low	29.7	Very low	173 Å²	173	137.8 Å²	137.8	91%	0.906	83%	0.825	S	S	*	*			trans	-179.1	101	132.8	-100.2	141.7	0	0	0	110.5
115	R	31.5	Very low	30.4	Very low	254 Å²	254	138.2 Å²	138.2	96%	0.958	83%	0.825	S	S	*	*			trans	178.8	67.8	143.3	-97.3	162.1	-171.7	-167.8	4.7	111
116	A	29.1	Very low	31	Very low	112 Å²	112	134.6 Å²	134.6	93%	0.926	82%	0.819	S	S	*	*			trans	-89.7	107.1	153.5	0	0	0	0	0	107
117	G	27.3	Very low	31.9	Very low	64 Å²	64	128.7 Å²	128.7	66%	0.66	81%	0.808	S	S	*	*			trans	178.2	82.3	-176.7	0	0	0	0	0	114.6
118	I	29.1	Very low	33.1	Very low	162 Å²	162	134.2 Å²	134.2	83%	0.831	81%	0.814	S	S	*	*			trans	67.4	93.2	146.2	-49.9	158.5	0	0	0	116.2
119	V	34	Very low	34.4	Very low	148 Å²	148	134.6 Å²	134.6	90%	0.897	81%	0.805	S	S	*	*			trans	-136.5	86.7	137.6	-174	0	0	0	0	107.5
120	A	31.6	Very low	36.1	Very low	101 Å²	101	133.8 Å²	133.8	84%	0.835	79%	0.788	S	S	*	*			trans	-87.8	120.7	162.9	0	0	0	0	0	107.4
121	G	29.6	Very low	38.5	Very low	62 Å²	62	132.1 Å²	132.1	64%	0.639	78%	0.783	S	S	*	*	S	Bend	trans	153.9	96.6	170.1	0	0	0	0	0	114.6
122	N	33.2	Very low	41.3	Very low	169 Å²	169	126.9 Å²	126.9	90%	0.904	75%	0.746	S	S	*	*			trans	65.5	60.2	154.2	-63.1	-8.5	0	0	0	118.1	S124	N122-S124 PolarHBondContact O-N 3.31Å
123	S	37.4	Very low	44.5	Very low	113 Å²	113	126 Å²	126	79%	0.79	74%	0.741	S	S	*	*			trans	-83.5	106.6	147.9	55.3	0	0	0	0	108.1	E125	S123-E125 PolarHBondContact O-N 3.17Å
124	S	40	Very low	47.4	Very low	106 Å²	106	126.3 Å²	126.3	74%	0.741	74%	0.737	S	S	*	*			trans	-39.9	126.6	160.1	47.8	0	0	0	0	109.3	N122 C126	N122-S124 PolarHBondContact O-N 3.31Å; S124-C126 PolarHBondContact O-N 3.31Å
125	E	40.4	Very low	50.5	Low	196 Å²	196	120.7 Å²	120.7	92%	0.916	71%	0.711	S	S	*	*			trans	-61.1	74.8	170.9	-74.4	-177.9	151.8	0	0	109.4	S123 G127	S123-E125 PolarHBondContact O-N 3.17Å; E125-G127 PolarHBondContact O-N 3.22Å
126	C	42.2	Very low	53.5	Low	114 Å²	114	110.6 Å²	110.6	77%	0.77	68%	0.675	S	S	*	*			trans	-67.5	94.7	157.4	-154.1	0	0	0	0	103.2	S124 Q128	S124-C126 PolarHBondContact O-N 3.31Å; C126-Q128 PolarHBondContact O-N 2.7Å
127	G	45.8	Very low	56.7	Low	61 Å²	61	107.8 Å²	107.8	63%	0.629	65%	0.646	S	S	*	*			trans	-43.9	115.9	-171	0	0	0	0	0	109.1	E125 Q129	E125-G127 PolarHBondContact O-N 3.22Å; G127-Q129 VanDerWaalsContact C-N 3.31Å; G127-Q129 PolarHBondContact O-N 3.14Å
128	Q	51.5	Low	60	Low	192 Å²	192	104.7 Å²	104.7	90%	0.897	62%	0.615	S	S	*	*			trans	-57.8	99.9	-177.9	-72	-179.2	-14	0	0	106.9	C126	C126-Q128 PolarHBondContact O-N 2.7Å
129	Q	54.5	Low	63.4	Low	151 Å²	151	98.7 Å²	98.7	71%	0.706	58%	0.583	S	S	*	*			trans	-58.1	134.7	170.3	-74	-177.7	-18.1	0	0	105.9	G127 V131	G127-Q129 VanDerWaalsContact C-N 3.31Å; G127-Q129 PolarHBondContact O-N 3.14Å; Q129-V131 VanDerWaalsContact O-CG2 3.27Å; Q129-V131 WeakPolarHBondContact O-CG2 3.26Å; Q129-V131 PolarHBondContact O-N 3.4Å
130	P	61	Low	66.4	Low	53 Å²	53	91.7 Å²	91.7	34%	0.344	54%	0.541	S	S	.	.			trans	-54	113.7	176.1	18.4	-28	0	0	0	108	A256 H259	P130-A256 HydrophobicContact CG-CB 4.49Å; P130-A256 WeakPolarHBondContact O-CB 3.47Å; P130-H259 HydrophobicContact CB-CB 3.94Å; P130-H259 HydrophobicContact CG-CB 4.12Å
131	V	77	Confident	69.6	Low	126 Å²	126	86.9 Å²	86.9	76%	0.764	50%	0.501	S	S	*	.	P	Polyproline II helix	trans	-82.6	121.1	-173.4	-173.4	0	0	0	0	106.9	Q129 E133	Q129-V131 VanDerWaalsContact O-CG2 3.27Å; Q129-V131 WeakPolarHBondContact O-CG2 3.26Å; Q129-V131 PolarHBondContact O-N 3.4Å; V131-E133 PolarHBondContact O-N 3.07Å
132	V	91.3	Very high	72.9	Confident	16 Å²	16	84 Å²	84	10%	0.097	47%	0.471	C	S	.	.	P	Polyproline II helix	trans	-66.1	125.2	165.2	-177.1	0	0	0	0	107.1	E136 N166 A252 W255 A256	V132-E136 HydrophobicContact CG1-CB 4.04Å; V132-E136 HydrophobicContact CG1-CG 4.36Å; V132-E136 WeakPolarHBondContact CG1-OE2 3.42Å; V132-N166 WeakPolarHBondContact CG1-ND2 3.39Å; V132-A252 HydrophobicContact CB-CB 4.35Å; V132-A252 HydrophobicContact CG2-CB 4.2Å; V132-A252 VanDerWaalsContact CG2-O 3.3Å; V132-A252 WeakPolarHBondContact CG2-O 3.27Å; V132-W255 HydrophobicContact CG2-CB 4.35Å; V132-A256 HydrophobicContact CG2-CB 3.88Å
133	E	92.6	Very high	76	Confident	146 Å²	146	76.8 Å²	76.8	68%	0.682	43%	0.433	S	S	*	.	P	Polyproline II helix	trans	-61.5	143.5	-177.7	-63.7	-175.3	173.3	0	0	110.2	V131 C135 E136 N166	V131-E133 PolarHBondContact O-N 3.07Å; E133-C135 PolarHBondContact O-N 3.31Å; E133-E136 HydrophobicContact CB-CB 4.13Å; E133-E136 WeakPolarHBondContact O-CB 3.38Å; E133-E136 PolarHBondContact O-N 3.26Å; E133-N166 PolarHBondContact O-ND2 3.26Å
134	K	88.3	Confident	78.9	Confident	134 Å²	134	71.4 Å²	71.4	58%	0.583	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.6	-37.3	-170.9	-177.2	-174	174.2	-165.8	0	114	N166	K134-N166 PolarHBondContact O-ND2 2.85Å
135	C	92.8	Very high	81.5	Confident	55 Å²	55	67.3 Å²	67.3	37%	0.372	37%	0.368	S	S	.	.	T	Hydrogen-bonded Turn	trans	-112	15.2	-178.6	-59.5	0	0	0	0	113.2	E133 T137 C419	E133-C135 PolarHBondContact O-N 3.31Å; C135-T137 PolarHBondContact O-N 3.14Å; C135-C419 WeakPolarHBondContact CA-SG 3.46Å; C135-C419 HydrophobicContact CB-CB 3.78Å; C135-C419 WeakPolarHBondContact CB-SG 3.24Å; C135-C419 WeakPolarHBondContact SG-CA 3.49Å; C135-C419 WeakPolarHBondContact SG-CB 3.46Å; C135-C419 CovalentContact SG-SG 2.05Å; C135-C419 PolarHBondContact SG-SG 2.88Å
136	E	94.9	Very high	84.1	Confident	41 Å²	41	58.7 Å²	58.7	19%	0.192	33%	0.332	C	S	.	.	P	Polyproline II helix	trans	-66.7	126.3	166.4	-175.8	179.8	174.5	0	0	109	V132 E133 N166 R237 W255	V132-E136 HydrophobicContact CG1-CB 4.04Å; V132-E136 HydrophobicContact CG1-CG 4.36Å; V132-E136 WeakPolarHBondContact CG1-OE2 3.42Å; E133-E136 HydrophobicContact CB-CB 4.13Å; E133-E136 WeakPolarHBondContact O-CB 3.38Å; E133-E136 PolarHBondContact O-N 3.26Å; E136-N166 PolarHBondContact O-ND2 2.76Å; E136-R237 IonicContact OE1-CZ 3.51Å; E136-R237 IonicContact OE1-NE 2.98Å; E136-R237 IonicContact OE1-NH2 2.86Å; E136-R237 PolarHBondContact OE1-NH2 3.26Å; E136-W255 PolarHBondContact OE1-NE1 3.35Å
137	T	95.8	Very high	86.7	Confident	53 Å²	53	54.7 Å²	54.7	33%	0.325	30%	0.301	S	S	.	.	P	Polyproline II helix	trans	-76.5	126.3	176.5	-60.2	0	0	0	0	110.4	C135 H139 H169	C135-T137 PolarHBondContact O-N 3.14Å; T137-H139 PolarHBondContact O-CD2 3.05Å; T137-H169 HydrophobicContact CG2-CB 3.61Å
138	I	98.1	Very high	89	Confident	0 Å²	0	56.3 Å²	56.3	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	120.7	174.8	-63.2	174.7	0	0	0	108.5	V140 N166 P167 L168 H169 I239 I251 A252 W255	I138-V140 HydrophobicContact CG2-CG2 4.16Å; I138-N166 HydrophobicContact CD1-CB 3.67Å; I138-N166 HydrophobicContact CG1-CB 4.06Å; I138-P167 PolarHBondContact N-O 2.86Å; I138-L168 HydrophobicContact CB-CD2 3.98Å; I138-L168 HydrophobicContact CG2-CD2 4.19Å; I138-H169 PolarHBondContact O-N 3.13Å; I138-I239 HydrophobicContact CG2-CD1 4.09Å; I138-I251 HydrophobicContact CD1-CG2 4.03Å; I138-I251 HydrophobicContact CG2-CD1 4.49Å; I138-I251 HydrophobicContact CG2-CG1 4.38Å; I138-I251 HydrophobicContact CG2-CG2 4.37Å; I138-A252 VanDerWaalsContact CD1-CA 3.47Å; I138-A252 HydrophobicContact CD1-CB 3.71Å; I138-W255 HydrophobicContact CB-CD2 4.37Å; I138-W255 HydrophobicContact CB-CE3 4.4Å; I138-W255 HydrophobicContact CD1-CB 4.12Å; I138-W255 HydrophobicContact CD1-CG 4.37Å; I138-W255 HydrophobicContact CG1-CB 4.2Å; I138-W255 HydrophobicContact CG1-CD2 4.13Å; I138-W255 HydrophobicContact CG1-CG 3.93Å; I138-W255 HydrophobicContact CG2-CB 4.36Å; I138-W255 HydrophobicContact CG2-CD2 4.01Å; I138-W255 HydrophobicContact CG2-CE3 3.67Å; I138-W255 HydrophobicContact CG2-CG 4.33Å; I138-W255 HydrophobicContact CG2-CZ3 4.2Å
139	H	98.7	Very high	91.1	Very high	36 Å²	36	48.1 Å²	48.1	17%	0.167	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	128	-179.5	-66.1	-96.2	0	0	0	111.1	T137 H169 H171 L235 V238 I239 W255	T137-H139 PolarHBondContact O-CD2 3.05Å; H139-H169 WeakPolarHBondContact CA-O 3.47Å; H139-H169 AromaticContact CE1-CG 3.94Å; H139-H169 AromaticContact CE1-ND1 3.33Å; H139-H169 PolarHBondContact CE1-ND1 3.33Å; H139-H169 VanDerWaalsContact CE1-ND1 3.33Å; H139-H169 AromaticContact ND1-CG 3.74Å; H139-H169 AromaticContact ND1-ND1 3.49Å; H139-H169 PolarHBondContact ND1-ND1 3.18Å; H139-H171 AromaticContact CE1-NE2 3.99Å; H139-H171 AromaticContact CG-NE2 3.83Å; H139-H171 AromaticContact ND1-CD2 3.95Å; H139-H171 AromaticContact ND1-CE1 3.94Å; H139-H171 AromaticContact ND1-NE2 2.97Å; H139-H171 PolarHBondContact ND1-NE2 2.93Å; H139-L235 HydrophobicContact CB-CD1 3.99Å; H139-L235 HydrophobicContact CB-CD2 4.45Å; H139-L235 VanDerWaalsContact CG-CD1 3.44Å; H139-L235 WeakPolarHBondContact ND1-CD1 3.5Å; H139-V238 HydrophobicContact CB-CG2 4.1Å; H139-V238 WeakPolarHBondContact O-CG2 3.44Å; H139-I239 PolarHBondContact O-N 2.97Å; H139-W255 HydrophobicContact CB-CH2 3.96Å; H139-W255 HydrophobicContact CB-CZ3 4.25Å; H139-W255 WeakPolarHBondContact O-CZ3 3.44Å
140	V	98.9	Very high	93.2	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	117	-176.3	-175	0	0	0	0	109.8	I138 I142 H169 F170 H171 I239 L241 I251	I138-V140 HydrophobicContact CG2-CG2 4.16Å; V140-I142 HydrophobicContact CG1-CD1 4.27Å; V140-I142 HydrophobicContact CG1-CG1 4.14Å; V140-H169 PolarHBondContact N-O 3.33Å; V140-F170 HydrophobicContact CB-CD1 3.84Å; V140-F170 HydrophobicContact CB-CE1 4.05Å; V140-F170 HydrophobicContact CG1-CD1 4.04Å; V140-F170 HydrophobicContact CG1-CE1 4.07Å; V140-F170 HydrophobicContact CG2-CE1 4.41Å; V140-F170 CarbonylContact O-C 3.53Å; V140-F170 VanDerWaalsContact O-CA 3.3Å; V140-F170 WeakPolarHBondContact O-CA 3.24Å; V140-H171 PolarHBondContact O-N 3.1Å; V140-I239 CarbonylContact C-O 3.06Å; V140-I239 VanDerWaalsContact CA-O 3.28Å; V140-I239 WeakPolarHBondContact CA-O 3.25Å; V140-L241 HydrophobicContact CG1-CD1 3.57Å; V140-L241 HydrophobicContact CG1-CG 4.1Å; V140-I251 HydrophobicContact CG2-CD1 3.64Å
141	A	98.8	Very high	94.9	Very high	1 Å²	1	39.5 Å²	39.5	1%	0.008	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	134.3	175.3	0	0	0	0	0	111.4	H171 L227 L231 V238 I239 V240 L241	A141-H171 VanDerWaalsContact CA-O 3.29Å; A141-H171 WeakPolarHBondContact CA-O 3.33Å; A141-H171 HydrophobicContact CB-CB 4.32Å; A141-L227 HydrophobicContact CB-CD2 4.04Å; A141-L231 HydrophobicContact CB-CD1 4.2Å; A141-V238 HydrophobicContact CB-CG2 3.7Å; A141-I239 PolarHBondContact N-O 3.45Å; A141-V240 HydrophobicContact CB-CG2 4.37Å; A141-V240 VanDerWaalsContact O-CA 3.31Å; A141-V240 WeakPolarHBondContact O-CA 3.29Å; A141-L241 PolarHBondContact O-N 3.47Å
142	I	98.7	Very high	95.7	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	133.6	179.2	-54.8	169.6	0	0	0	108.2	V140 C144 V153 L156 F170 H171 L172 I173 L241 T243	V140-I142 HydrophobicContact CG1-CD1 4.27Å; V140-I142 HydrophobicContact CG1-CG1 4.14Å; I142-C144 HydrophobicContact CG2-CB 4.31Å; I142-V153 HydrophobicContact CD1-CG2 4.02Å; I142-V153 HydrophobicContact CG2-CG2 4.01Å; I142-L156 HydrophobicContact CD1-CD2 3.8Å; I142-L156 HydrophobicContact CG1-CD2 4.47Å; I142-F170 HydrophobicContact CD1-CD1 4.01Å; I142-F170 HydrophobicContact CD1-CE1 4.31Å; I142-H171 PolarHBondContact N-O 3.2Å; I142-L172 HydrophobicContact CB-CD2 3.8Å; I142-L172 HydrophobicContact CD1-CD2 4.11Å; I142-L172 HydrophobicContact CG1-CD2 4.3Å; I142-L172 WeakPolarHBondContact O-CA 3.42Å; I142-I173 PolarHBondContact O-N 2.95Å; I142-L241 HydrophobicContact CG1-CB 4.38Å; I142-T243 HydrophobicContact CG2-CG2 3.79Å
143	V	98	Very high	96	Very high	19 Å²	19	35 Å²	35	12%	0.115	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	117.7	167.7	-177.9	0	0	0	0	107.9	I173 M223 K224 T243	V143-I173 HydrophobicContact CG1-CG2 4.5Å; V143-I173 HydrophobicContact CG2-CB 4.25Å; V143-I173 HydrophobicContact CG2-CD1 4.27Å; V143-M223 HydrophobicContact CG1-CB 3.93Å; V143-M223 HydrophobicContact CG1-CG 4.38Å; V143-M223 HydrophobicContact CG2-CB 3.91Å; V143-K224 HydrophobicContact CG2-CG 3.96Å; V143-T243 WeakPolarHBondContact O-CG2 3.48Å
144	C	97.4	Very high	96.3	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	104.1	-174.5	-175.2	0	0	0	0	110.5	I142 A149 S150 I173 A174 A178 L182 T243	I142-C144 HydrophobicContact CG2-CB 4.31Å; C144-A149 PolarHBondContact SG-O 3.01Å; C144-S150 PolarHBondContact SG-N 3.49Å; C144-S150 VanDerWaalsContact SG-N 3.45Å; C144-I173 PolarHBondContact N-O 3.29Å; C144-A174 VanDerWaalsContact O-CA 3.27Å; C144-A174 WeakPolarHBondContact O-CA 3.35Å; C144-A174 WeakPolarHBondContact O-CB 3.26Å; C144-A178 WeakPolarHBondContact O-CB 3.4Å; C144-L182 HydrophobicContact CB-CD1 4.27Å; C144-T243 HydrophobicContact CB-CG2 4.12Å
145	A	95.2	Very high	96.8	Very high	20 Å²	20	22.2 Å²	22.2	17%	0.165	13%	0.129	C	C	.	.			trans	-126.9	137.2	-177.6	0	0	0	0	0	112.2	A149 D175 Y220	A145-A149 VanDerWaalsContact O-CB 3.23Å; A145-A149 WeakPolarHBondContact O-CB 3.4Å; A145-D175 HydrophobicContact CB-CB 4.31Å; A145-Y220 HydrophobicContact CB-CD1 3.46Å; A145-Y220 VanDerWaalsContact CB-CD1 3.46Å; A145-Y220 HydrophobicContact CB-CD2 3.71Å; A145-Y220 HydrophobicContact CB-CE1 3.56Å; A145-Y220 HydrophobicContact CB-CE2 3.83Å; A145-Y220 HydrophobicContact CB-CG 3.52Å
146	G	95.1	Very high	97	Very high	15 Å²	15	19.6 Å²	19.6	16%	0.155	11%	0.111	C	C	.	.	H	α-helix	trans	75.9	170.3	179.8	0	0	0	0	0	115.4	N148 A149 S150 D175	G146-N148 PolarHBondContact O-N 2.91Å; G146-A149 PolarHBondContact O-N 2.97Å; G146-S150 PolarHBondContact O-N 3.18Å; G146-S150 VanDerWaalsContact O-N 3.13Å; G146-S150 PolarHBondContact O-OG 3.4Å; G146-S150 VanDerWaalsContact O-OG 3.07Å; G146-D175 PolarHBondContact N-OD1 2.83Å; G146-D175 PolarHBondContact N-OD2 3.18Å; G146-D175 VanDerWaalsContact N-OD2 3.09Å
147	Y	96.2	Very high	97.2	Very high	29 Å²	29	17.8 Å²	17.8	11%	0.114	10%	0.102	C	C	.	.	H	α-helix	trans	-57	-44	-171.2	-56.3	-79.3	0	0	0	114.7	S150 R151 I177 I181 Y459 H462 Y463	Y147-S150 PolarHBondContact O-N 3.04Å; Y147-R151 PolarHBondContact O-N 3.46Å; Y147-I177 HydrophobicContact CD1-CG2 3.78Å; Y147-I177 HydrophobicContact CD2-CG2 4.3Å; Y147-I177 HydrophobicContact CE1-CG2 3.38Å; Y147-I177 HydrophobicContact CE2-CD1 3.96Å; Y147-I177 HydrophobicContact CE2-CG2 3.96Å; Y147-I177 HydrophobicContact CG-CG2 4.21Å; Y147-I177 VanDerWaalsContact CZ-CG2 3.46Å; Y147-I181 HydrophobicContact CD1-CD1 3.76Å; Y147-I181 HydrophobicContact CE1-CD1 4.17Å; Y147-Y459 WeakPolarHBondContact CD1-O 3.14Å; Y147-Y459 VanDerWaalsContact CE1-CB 3.48Å; Y147-Y459 HydrophobicContact CE1-CG 4.08Å; Y147-H462 HydrophobicContact CD2-CB 4.1Å; Y147-H462 AromaticContact CD2-ND1 3.36Å; Y147-H462 WeakPolarHBondContact CD2-ND1 3.38Å; Y147-H462 AromaticContact CE2-ND1 3.39Å; Y147-H462 WeakPolarHBondContact CE2-ND1 2.99Å; Y147-H462 HydrophobicContact CG-CB 4.5Å; Y147-Y463 PolarHBondContact OH-O 3.17Å
148	N	94.4	Very high	97.3	Very high	96 Å²	96	15.4 Å²	15.4	51%	0.513	9%	0.087	S	C	.	.	H	α-helix	trans	-68.8	-44.1	-176.5	-71.4	-28.8	0	0	0	111.7	G146 S150 R151 D152	G146-N148 PolarHBondContact O-N 2.91Å; N148-S150 VanDerWaalsContact C-N 3.32Å; N148-S150 PolarHBondContact O-N 3.31Å; N148-R151 PolarHBondContact O-N 3.45Å; N148-R151 VanDerWaalsContact O-N 3.15Å; N148-R151 PolarHBondContact OD1-NH1 3.17Å; N148-R151 PolarHBondContact OD1-NH2 3.36Å; N148-D152 VanDerWaalsContact O-CG 3.26Å; N148-D152 PolarHBondContact O-N 3.13Å
149	A	95.6	Very high	97.3	Very high	19 Å²	19	15.4 Å²	15.4	16%	0.157	9%	0.087	C	C	.	.	H	α-helix	trans	-63.5	-41.4	178.4	0	0	0	0	0	111	C144 A145 G146 R151 D152 V153	C144-A149 PolarHBondContact SG-O 3.01Å; A145-A149 VanDerWaalsContact O-CB 3.23Å; A145-A149 WeakPolarHBondContact O-CB 3.4Å; G146-A149 PolarHBondContact O-N 2.97Å; A149-R151 PolarHBondContact O-N 3.1Å; A149-D152 PolarHBondContact O-N 3.49Å; A149-V153 WeakPolarHBondContact O-CB 3.41Å; A149-V153 WeakPolarHBondContact O-CG1 3.28Å; A149-V153 PolarHBondContact O-N 3.29Å
150	S	97.5	Very high	97.3	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-60.5	-29.3	175.9	-59.7	0	0	0	0	113.2	C144 G146 Y147 N148 V153 V154 A178 H457	C144-S150 PolarHBondContact SG-N 3.49Å; C144-S150 VanDerWaalsContact SG-N 3.45Å; G146-S150 PolarHBondContact O-N 3.18Å; G146-S150 VanDerWaalsContact O-N 3.13Å; G146-S150 PolarHBondContact O-OG 3.4Å; G146-S150 VanDerWaalsContact O-OG 3.07Å; Y147-S150 PolarHBondContact O-N 3.04Å; N148-S150 VanDerWaalsContact C-N 3.32Å; N148-S150 PolarHBondContact O-N 3.31Å; S150-V153 WeakPolarHBondContact O-CG1 3.3Å; S150-V154 VanDerWaalsContact O-CG2 3.32Å; S150-V154 WeakPolarHBondContact O-CG2 3.48Å; S150-A178 WeakPolarHBondContact OG-CA 3.33Å; S150-A178 WeakPolarHBondContact OG-CB 3.48Å; S150-H457 PolarHBondContact O-CE1 3.49Å
151	R	96.7	Very high	97.3	Very high	24 Å²	24	13.7 Å²	13.7	9%	0.091	8%	0.08	C	C	.	.	H	α-helix	trans	-79	-45	173.2	-173.1	176.3	61.6	-116.4	-10.8	112.1	Y147 N148 A149 V154 F460	Y147-R151 PolarHBondContact O-N 3.46Å; N148-R151 PolarHBondContact O-N 3.45Å; N148-R151 VanDerWaalsContact O-N 3.15Å; N148-R151 PolarHBondContact OD1-NH1 3.17Å; N148-R151 PolarHBondContact OD1-NH2 3.36Å; A149-R151 PolarHBondContact O-N 3.1Å; R151-V154 WeakPolarHBondContact O-CB 3.44Å; R151-V154 PolarHBondContact O-N 2.96Å; R151-F460 HydrophobicContact CG-CD2 4.31Å; R151-F460 HydrophobicContact CG-CE2 3.77Å; R151-F460 HydrophobicContact CG-CZ 4.14Å; R151-F460 PolarHBondContact NH1-O 2.82Å
152	D	95.1	Very high	97.2	Very high	44 Å²	44	18 Å²	18	24%	0.235	10%	0.098	C	C	.	.	H	α-helix	trans	-65.1	-42.5	-176.5	-66.6	-15.1	0	0	0	111.5	N148 A149 V154 T155	N148-D152 VanDerWaalsContact O-CG 3.26Å; N148-D152 PolarHBondContact O-N 3.13Å; A149-D152 PolarHBondContact O-N 3.49Å; D152-V154 PolarHBondContact O-N 2.93Å; D152-V154 VanDerWaalsContact O-N 3.1Å; D152-T155 PolarHBondContact O-N 3.43Å
153	V	97.9	Very high	97	Very high	2 Å²	2	20.2 Å²	20.2	1%	0.012	11%	0.109	C	C	.	.	H	α-helix	trans	-60.3	-24.4	-179.5	75.3	0	0	0	0	112.9	I142 A149 S150 T155 L156 V157 L182 T243	I142-V153 HydrophobicContact CD1-CG2 4.02Å; I142-V153 HydrophobicContact CG2-CG2 4.01Å; A149-V153 WeakPolarHBondContact O-CB 3.41Å; A149-V153 WeakPolarHBondContact O-CG1 3.28Å; A149-V153 PolarHBondContact O-N 3.29Å; S150-V153 WeakPolarHBondContact O-CG1 3.3Å; V153-T155 VanDerWaalsContact C-N 3.26Å; V153-T155 PolarHBondContact O-N 3.44Å; V153-L156 HydrophobicContact CG2-CD2 4.41Å; V153-L156 WeakPolarHBondContact O-CB 3.3Å; V153-L156 PolarHBondContact O-N 2.95Å; V153-V157 HydrophobicContact CG2-CG2 4.24Å; V153-V157 VanDerWaalsContact O-CG2 3.29Å; V153-V157 WeakPolarHBondContact O-CG2 3.49Å; V153-V157 PolarHBondContact O-N 3.21Å; V153-L182 HydrophobicContact CG1-CD1 4.22Å; V153-L182 HydrophobicContact CG1-CD2 3.75Å; V153-T243 HydrophobicContact CB-CG2 4.05Å; V153-T243 HydrophobicContact CG2-CG2 4.21Å
154	V	98.2	Very high	96.9	Very high	9 Å²	9	19.8 Å²	19.8	6%	0.055	11%	0.105	C	C	.	.	H	α-helix	trans	-60.6	-38.7	176.7	-175.9	0	0	0	0	110.9	S150 R151 D152 V157 K158 L185	S150-V154 VanDerWaalsContact O-CG2 3.32Å; S150-V154 WeakPolarHBondContact O-CG2 3.48Å; R151-V154 WeakPolarHBondContact O-CB 3.44Å; R151-V154 PolarHBondContact O-N 2.96Å; D152-V154 PolarHBondContact O-N 2.93Å; D152-V154 VanDerWaalsContact O-N 3.1Å; V154-V157 PolarHBondContact O-N 3.18Å; V154-K158 HydrophobicContact CG1-CD 4.46Å; V154-K158 HydrophobicContact CG1-CG 4.5Å; V154-K158 WeakPolarHBondContact O-CB 3.45Å; V154-K158 VanDerWaalsContact O-CG 3.31Å; V154-K158 WeakPolarHBondContact O-CG 3.47Å; V154-K158 PolarHBondContact O-N 3.24Å; V154-L185 HydrophobicContact CG2-CD2 3.62Å
155	T	97.9	Very high	96.8	Very high	4 Å²	4	28.5 Å²	28.5	3%	0.025	14%	0.138	C	C	.	.	H	α-helix	trans	-68.5	-42.4	179.8	-52.6	0	0	0	0	111	D152 V153 K158 S159 Y401 F404 L405	D152-T155 PolarHBondContact O-N 3.43Å; V153-T155 VanDerWaalsContact C-N 3.26Å; V153-T155 PolarHBondContact O-N 3.44Å; T155-K158 PolarHBondContact O-N 3.4Å; T155-S159 PolarHBondContact O-N 3.04Å; T155-Y401 HydrophobicContact CG2-CD2 3.9Å; T155-Y401 HydrophobicContact CG2-CE2 3.6Å; T155-F404 HydrophobicContact CG2-CB 3.93Å; T155-L405 HydrophobicContact CG2-CB 4.28Å; T155-L405 WeakPolarHBondContact OG1-CD1 3.41Å
156	L	98.5	Very high	96.7	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-55.6	-55.5	171.8	166.6	58.6	0	0	0	110.5	I142 V153 K158 S159 V160 L241 D242 I245 F247	I142-L156 HydrophobicContact CD1-CD2 3.8Å; I142-L156 HydrophobicContact CG1-CD2 4.47Å; V153-L156 HydrophobicContact CG2-CD2 4.41Å; V153-L156 WeakPolarHBondContact O-CB 3.3Å; V153-L156 PolarHBondContact O-N 2.95Å; L156-K158 VanDerWaalsContact C-N 3.31Å; L156-K158 PolarHBondContact O-N 3.39Å; L156-S159 PolarHBondContact O-N 3.1Å; L156-S159 VanDerWaalsContact O-N 3.07Å; L156-S159 PolarHBondContact O-OG 3.29Å; L156-V160 HydrophobicContact CD1-CG2 3.88Å; L156-V160 PolarHBondContact O-N 3.47Å; L156-L241 HydrophobicContact CD1-CD1 4.16Å; L156-L241 HydrophobicContact CD2-CB 4.1Å; L156-L241 HydrophobicContact CD2-CD1 4.33Å; L156-D242 WeakPolarHBondContact CD2-O 3.35Å; L156-I245 WeakPolarHBondContact CA-O 3.4Å; L156-I245 WeakPolarHBondContact CB-O 3.2Å; L156-I245 HydrophobicContact CD1-CB 3.85Å; L156-I245 HydrophobicContact CD1-CG2 3.85Å; L156-I245 WeakPolarHBondContact CD1-O 3.33Å; L156-F247 HydrophobicContact CD1-CD2 3.95Å; L156-F247 HydrophobicContact CD1-CE2 4.13Å
157	V	98.5	Very high	96.8	Very high	2 Å²	2	27.8 Å²	27.8	1%	0.012	13%	0.128	C	C	.	.	H	α-helix	trans	-57.8	-44.9	-177.3	171.3	0	0	0	0	110.5	V153 V154 S159 V160 L161 F170 F186 W189	V153-V157 HydrophobicContact CG2-CG2 4.24Å; V153-V157 VanDerWaalsContact O-CG2 3.29Å; V153-V157 WeakPolarHBondContact O-CG2 3.49Å; V153-V157 PolarHBondContact O-N 3.21Å; V154-V157 PolarHBondContact O-N 3.18Å; V157-S159 PolarHBondContact O-N 2.96Å; V157-V160 PolarHBondContact O-N 3.26Å; V157-L161 HydrophobicContact CG1-CD1 3.67Å; V157-L161 HydrophobicContact CG1-CG 4Å; V157-L161 WeakPolarHBondContact O-CB 3.5Å; V157-L161 WeakPolarHBondContact O-CG 3.33Å; V157-L161 PolarHBondContact O-N 3.45Å; V157-F170 HydrophobicContact CG1-CZ 4.41Å; V157-F170 HydrophobicContact CG2-CE1 4.4Å; V157-F170 HydrophobicContact CG2-CZ 4.48Å; V157-F186 HydrophobicContact CG1-CE1 3.92Å; V157-F186 HydrophobicContact CG1-CZ 3.89Å; V157-F186 HydrophobicContact CG2-CZ 3.95Å; V157-W189 HydrophobicContact CB-CZ3 4.47Å; V157-W189 HydrophobicContact CG1-CH2 3.9Å; V157-W189 HydrophobicContact CG1-CZ3 3.7Å
158	K	98.6	Very high	96.8	Very high	3 Å²	3	26.5 Å²	26.5	1%	0.013	12%	0.123	C	C	.	.	H	α-helix	trans	-58.1	-46.4	175.1	-74.7	179	-178.2	-178	0	112.6	V154 T155 L156 V160 L161 F162 W189 F404 L405 Y407 L412 D507	V154-K158 HydrophobicContact CG1-CD 4.46Å; V154-K158 HydrophobicContact CG1-CG 4.5Å; V154-K158 WeakPolarHBondContact O-CB 3.45Å; V154-K158 VanDerWaalsContact O-CG 3.31Å; V154-K158 WeakPolarHBondContact O-CG 3.47Å; V154-K158 PolarHBondContact O-N 3.24Å; T155-K158 PolarHBondContact O-N 3.4Å; L156-K158 VanDerWaalsContact C-N 3.31Å; L156-K158 PolarHBondContact O-N 3.39Å; K158-V160 VanDerWaalsContact C-N 3.32Å; K158-V160 PolarHBondContact O-N 2.96Å; K158-L161 PolarHBondContact O-N 2.95Å; K158-F162 VanDerWaalsContact O-CB 3.23Å; K158-F162 WeakPolarHBondContact O-CB 3.49Å; K158-F162 PolarHBondContact O-N 3.42Å; K158-W189 HydrophobicContact CG-CH2 3.7Å; K158-W189 HydrophobicContact CG-CZ2 4Å; K158-F404 WeakPolarHBondContact CD-O 3.44Å; K158-F404 PolarHBondContact NZ-O 2.73Å; K158-L405 PolarHBondContact NZ-O 3.33Å; K158-Y407 WeakPolarHBondContact CE-O 3.43Å; K158-Y407 PolarHBondContact NZ-O 3.37Å; K158-L412 HydrophobicContact CB-CD1 4.11Å; K158-L412 HydrophobicContact CG-CD1 3.94Å; K158-D507 WeakPolarHBondContact CE-OD1 3.42Å; K158-D507 IonicContact NZ-OD1 3.54Å; K158-D507 PolarHBondContact NZ-OD1 3.42Å; K158-D507 IonicContact NZ-OD2 2.74Å
159	S	98.3	Very high	97	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-62.8	-39.1	180	72	0	0	0	0	112.3	T155 L156 V157 H163 F247	T155-S159 PolarHBondContact O-N 3.04Å; L156-S159 PolarHBondContact O-N 3.1Å; L156-S159 VanDerWaalsContact O-N 3.07Å; L156-S159 PolarHBondContact O-OG 3.29Å; V157-S159 PolarHBondContact O-N 2.96Å; S159-H163 PolarHBondContact O-CD2 2.83Å; S159-H163 PolarHBondContact O-N 3.07Å; S159-F247 PolarHBondContact OG-N 2.99Å
160	V	98.5	Very high	97.1	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-66.4	-49.8	174.2	174.2	0	0	0	0	110.7	L156 V157 K158 F162 H163 R164 L168 F170 F247 I251	L156-V160 HydrophobicContact CD1-CG2 3.88Å; L156-V160 PolarHBondContact O-N 3.47Å; V157-V160 PolarHBondContact O-N 3.26Å; K158-V160 VanDerWaalsContact C-N 3.32Å; K158-V160 PolarHBondContact O-N 2.96Å; V160-F162 VanDerWaalsContact C-N 3.26Å; V160-F162 PolarHBondContact O-N 3Å; V160-H163 PolarHBondContact O-N 3.22Å; V160-R164 WeakPolarHBondContact O-CB 3.33Å; V160-R164 PolarHBondContact O-N 3.36Å; V160-L168 HydrophobicContact CG1-CD1 3.75Å; V160-L168 HydrophobicContact CG1-CD2 4.34Å; V160-F170 HydrophobicContact CG1-CZ 4.4Å; V160-F247 HydrophobicContact CG2-CB 4.36Å; V160-F247 HydrophobicContact CG2-CD2 3.48Å; V160-F247 VanDerWaalsContact CG2-CD2 3.48Å; V160-F247 HydrophobicContact CG2-CE2 3.89Å; V160-F247 HydrophobicContact CG2-CG 3.89Å; V160-I251 HydrophobicContact CG1-CB 4.3Å; V160-I251 HydrophobicContact CG1-CD1 4.02Å; V160-I251 HydrophobicContact CG1-CG2 4.01Å; V160-I251 HydrophobicContact CG2-CD1 4.38Å
161	L	97.8	Very high	97.2	Very high	1 Å²	1	22 Å²	22	1%	0.005	10%	0.096	C	C	.	.	H	α-helix	trans	-62.5	-31.9	-179.7	-70.5	-179.7	0	0	0	113.1	V157 K158 H163 R164 L168 W189 V191 V194 L412	V157-L161 HydrophobicContact CG1-CD1 3.67Å; V157-L161 HydrophobicContact CG1-CG 4Å; V157-L161 WeakPolarHBondContact O-CB 3.5Å; V157-L161 WeakPolarHBondContact O-CG 3.33Å; V157-L161 PolarHBondContact O-N 3.45Å; K158-L161 PolarHBondContact O-N 2.95Å; L161-H163 VanDerWaalsContact C-N 3.34Å; L161-R164 WeakPolarHBondContact O-CG 3.17Å; L161-L168 HydrophobicContact CD2-CD1 3.75Å; L161-W189 HydrophobicContact CD1-CH2 3.88Å; L161-W189 HydrophobicContact CD1-CZ2 3.9Å; L161-W189 HydrophobicContact CD1-CZ3 4.37Å; L161-V191 HydrophobicContact CD1-CG1 4.16Å; L161-V191 HydrophobicContact CD1-CG2 4.14Å; L161-V191 HydrophobicContact CD2-CG1 4.02Å; L161-V194 HydrophobicContact CD2-CG2 3.78Å; L161-L412 HydrophobicContact CB-CD1 4.02Å; L161-L412 HydrophobicContact CB-CD2 4.25Å; L161-L412 HydrophobicContact CB-CG 4.5Å; L161-L412 HydrophobicContact CD1-CD1 4.32Å
162	F	96.9	Very high	97.3	Very high	91 Å²	91	20.9 Å²	20.9	40%	0.399	9%	0.092	S	C	.	.	H	α-helix	trans	-67.1	-36.4	178.5	-179	-90.9	0	0	0	112.1	K158 V160 F404 Y407 L412	K158-F162 VanDerWaalsContact O-CB 3.23Å; K158-F162 WeakPolarHBondContact O-CB 3.49Å; K158-F162 PolarHBondContact O-N 3.42Å; V160-F162 VanDerWaalsContact C-N 3.26Å; V160-F162 PolarHBondContact O-N 3Å; F162-F404 HydrophobicContact CB-CD1 4.36Å; F162-F404 HydrophobicContact CB-CE1 3.74Å; F162-F404 AromaticContact CD1-CE1 3.72Å; F162-F404 HydrophobicContact CD1-CE1 3.72Å; F162-F404 HydrophobicContact CD1-CZ 4.13Å; F162-F404 HydrophobicContact CD2-CE1 4.23Å; F162-F404 HydrophobicContact CE1-CE1 4.38Å; F162-F404 AromaticContact CG-CE1 3.64Å; F162-F404 HydrophobicContact CG-CE1 3.64Å; F162-F404 HydrophobicContact CG-CZ 4.48Å; F162-Y407 HydrophobicContact CD2-CE1 4.19Å; F162-Y407 HydrophobicContact CD2-CE2 4Å; F162-Y407 AromaticContact CD2-CZ 3.76Å; F162-Y407 AromaticContact CE2-CE2 3.75Å; F162-Y407 HydrophobicContact CE2-CE2 3.75Å; F162-Y407 AromaticContact CE2-CZ 3.79Å; F162-L412 HydrophobicContact CB-CD2 4.27Å
163	H	95.8	Very high	97.4	Very high	46 Å²	46	18.9 Å²	18.9	21%	0.213	8%	0.081	C	C	.	.	H	α-helix	trans	-98.5	-12.8	-176	-68.5	-66	0	0	0	115	S159 V160 L161 A248 T249 D250 F404	S159-H163 PolarHBondContact O-CD2 2.83Å; S159-H163 PolarHBondContact O-N 3.07Å; V160-H163 PolarHBondContact O-N 3.22Å; L161-H163 VanDerWaalsContact C-N 3.34Å; H163-A248 VanDerWaalsContact NE2-C 3.34Å; H163-T249 VanDerWaalsContact CB-C 3.44Å; H163-T249 WeakPolarHBondContact CB-O 3.24Å; H163-D250 WeakPolarHBondContact O-CB 3.37Å; H163-F404 AromaticContact NE2-CZ 3.59Å
164	R	95.6	Very high	97.4	Very high	10 Å²	10	18.8 Å²	18.8	4%	0.038	8%	0.08	C	C	.	.			trans	-59.4	147.9	-171.8	73.3	-176.3	168.5	154.5	5.8	113.7	V160 L161 L168 P192 L416 F417	V160-R164 WeakPolarHBondContact O-CB 3.33Å; V160-R164 PolarHBondContact O-N 3.36Å; L161-R164 WeakPolarHBondContact O-CG 3.17Å; R164-L168 HydrophobicContact CB-CD1 4.22Å; R164-P192 PolarHBondContact NH1-O 3Å; R164-P192 PolarHBondContact NH2-O 3.36Å; R164-L416 HydrophobicContact CG-CD1 4.32Å; R164-F417 HydrophobicContact CG-CE1 4.27Å
165	R	93.6	Very high	97.4	Very high	183 Å²	183	18.9 Å²	18.9	69%	0.691	8%	0.081	S	C	*	.			trans	-125.2	2.2	167	-62.6	178.1	-179.9	176.6	-0.3	114.1	D250	R165-D250 VanDerWaalsContact CB-OD2 3.29Å; R165-D250 WeakPolarHBondContact CB-OD2 3.33Å; R165-D250 VanDerWaalsContact CD-OD2 3.24Å; R165-D250 WeakPolarHBondContact CD-OD2 3.42Å; R165-D250 WeakPolarHBondContact CG-OD2 3.36Å; R165-D250 IonicContact NE-OD2 3.64Å
166	N	95	Very high	97.3	Very high	7 Å²	7	22 Å²	22	4%	0.037	10%	0.103	C	C	.	.	S	Bend	trans	-129.8	155.4	-173.6	-72.5	81.5	0	0	0	110.6	V132 E133 K134 E136 I138 A252 F417	V132-N166 WeakPolarHBondContact CG1-ND2 3.39Å; E133-N166 PolarHBondContact O-ND2 3.26Å; K134-N166 PolarHBondContact O-ND2 2.85Å; E136-N166 PolarHBondContact O-ND2 2.76Å; I138-N166 HydrophobicContact CD1-CB 3.67Å; I138-N166 HydrophobicContact CG1-CB 4.06Å; N166-A252 WeakPolarHBondContact OD1-CB 3.38Å; N166-F417 VanDerWaalsContact O-CZ 3.24Å; N166-F417 WeakPolarHBondContact O-CZ 3.29Å
167	P	95.8	Very high	97.1	Very high	13 Å²	13	24.4 Å²	24.4	8%	0.084	12%	0.115	C	C	.	.			trans	-55.3	145.3	166.2	-21.6	32	0	0	0	111.6	I138 A193 F417 C419	I138-P167 PolarHBondContact N-O 2.86Å; P167-A193 WeakPolarHBondContact CA-O 3.43Å; P167-A193 HydrophobicContact CB-CB 4.16Å; P167-A193 HydrophobicContact CG-CB 4.43Å; P167-F417 HydrophobicContact CG-CE2 3.94Å; P167-C419 HydrophobicContact CG-CB 4.07Å
168	L	97.1	Very high	97.1	Very high	2 Å²	2	24.3 Å²	24.3	1%	0.01	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	139.5	-179.5	-64.1	169.2	0	0	0	110.8	I138 V160 L161 R164 F170 A193 V194 R195 I251	I138-L168 HydrophobicContact CB-CD2 3.98Å; I138-L168 HydrophobicContact CG2-CD2 4.19Å; V160-L168 HydrophobicContact CG1-CD1 3.75Å; V160-L168 HydrophobicContact CG1-CD2 4.34Å; L161-L168 HydrophobicContact CD2-CD1 3.75Å; R164-L168 HydrophobicContact CB-CD1 4.22Å; L168-F170 HydrophobicContact CB-CD2 4.49Å; L168-F170 HydrophobicContact CB-CE2 3.97Å; L168-F170 HydrophobicContact CB-CZ 4.41Å; L168-F170 HydrophobicContact CD1-CE2 4.08Å; L168-F170 HydrophobicContact CD1-CZ 3.99Å; L168-A193 PolarHBondContact N-O 3.36Å; L168-V194 CarbonylContact O-C 3.54Å; L168-V194 WeakPolarHBondContact O-CA 3.36Å; L168-R195 PolarHBondContact O-N 3.26Å; L168-I251 HydrophobicContact CD2-CG2 3.89Å
169	H	97.9	Very high	97.1	Very high	18 Å²	18	27.6 Å²	27.6	8%	0.083	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	106.9	169.8	-170.4	173.6	0	0	0	109.5	T137 I138 H139 V140 H171 R195 D197	T137-H169 HydrophobicContact CG2-CB 3.61Å; I138-H169 PolarHBondContact O-N 3.13Å; H139-H169 WeakPolarHBondContact CA-O 3.47Å; H139-H169 AromaticContact CE1-CG 3.94Å; H139-H169 AromaticContact CE1-ND1 3.33Å; H139-H169 PolarHBondContact CE1-ND1 3.33Å; H139-H169 VanDerWaalsContact CE1-ND1 3.33Å; H139-H169 AromaticContact ND1-CG 3.74Å; H139-H169 AromaticContact ND1-ND1 3.49Å; H139-H169 PolarHBondContact ND1-ND1 3.18Å; V140-H169 PolarHBondContact N-O 3.33Å; H169-H171 AromaticContact CD2-CE1 3.94Å; H169-H171 AromaticContact CD2-NE2 3.93Å; H169-H171 AromaticContact CE1-CE1 3.53Å; H169-H171 AromaticContact CE1-NE2 3.91Å; H169-H171 AromaticContact CG-NE2 3.76Å; H169-H171 AromaticContact ND1-CE1 3.85Å; H169-H171 AromaticContact ND1-NE2 3.78Å; H169-H171 AromaticContact NE2-CE1 3.57Å; H169-H171 AromaticContact NE2-NE2 4Å; H169-R195 CarbonylContact C-O 3.54Å; H169-R195 WeakPolarHBondContact CA-O 3.15Å; H169-R195 HydrophobicContact CB-CB 4.41Å; H169-D197 IonicContact CE1-OD2 4Å; H169-D197 PolarHBondContact CE1-OD2 3.22Å; H169-D197 VanDerWaalsContact NE2-CG 3.3Å; H169-D197 IonicContact NE2-OD1 3.03Å; H169-D197 IonicContact NE2-OD2 2.94Å; H169-D197 PolarHBondContact NE2-OD2 3.48Å
170	F	98.7	Very high	97	Very high	1 Å²	1	31.6 Å²	31.6	0%	0.004	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85	128.6	175.9	-64.9	-81.3	0	0	0	110.7	V140 I142 V157 V160 L168 L172 F186 V194 R195 V196 D197	V140-F170 HydrophobicContact CB-CD1 3.84Å; V140-F170 HydrophobicContact CB-CE1 4.05Å; V140-F170 HydrophobicContact CG1-CD1 4.04Å; V140-F170 HydrophobicContact CG1-CE1 4.07Å; V140-F170 HydrophobicContact CG2-CE1 4.41Å; V140-F170 CarbonylContact O-C 3.53Å; V140-F170 VanDerWaalsContact O-CA 3.3Å; V140-F170 WeakPolarHBondContact O-CA 3.24Å; I142-F170 HydrophobicContact CD1-CD1 4.01Å; I142-F170 HydrophobicContact CD1-CE1 4.31Å; V157-F170 HydrophobicContact CG1-CZ 4.41Å; V157-F170 HydrophobicContact CG2-CE1 4.4Å; V157-F170 HydrophobicContact CG2-CZ 4.48Å; V160-F170 HydrophobicContact CG1-CZ 4.4Å; L168-F170 HydrophobicContact CB-CD2 4.49Å; L168-F170 HydrophobicContact CB-CE2 3.97Å; L168-F170 HydrophobicContact CB-CZ 4.41Å; L168-F170 HydrophobicContact CD1-CE2 4.08Å; L168-F170 HydrophobicContact CD1-CZ 3.99Å; F170-L172 HydrophobicContact CB-CD2 4.23Å; F170-L172 HydrophobicContact CB-CG 4.34Å; F170-F186 HydrophobicContact CD2-CE1 4.34Å; F170-F186 HydrophobicContact CD2-CZ 4.42Å; F170-F186 HydrophobicContact CE2-CE1 4.49Å; F170-V194 HydrophobicContact CD2-CG1 3.72Å; F170-V194 HydrophobicContact CE2-CG1 3.82Å; F170-R195 PolarHBondContact N-O 3.45Å; F170-V196 HydrophobicContact CB-CG1 4.34Å; F170-V196 HydrophobicContact CB-CG2 4.25Å; F170-V196 HydrophobicContact CD2-CG2 4.34Å; F170-V196 WeakPolarHBondContact O-CA 3.49Å; F170-D197 PolarHBondContact O-N 3.39Å
171	H	98.8	Very high	97	Very high	2 Å²	2	31.6 Å²	31.6	1%	0.009	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	102.6	172	-62.3	-86.2	0	0	0	108.4	H139 V140 A141 I142 H169 Y199 L231	H139-H171 AromaticContact CE1-NE2 3.99Å; H139-H171 AromaticContact CG-NE2 3.83Å; H139-H171 AromaticContact ND1-CD2 3.95Å; H139-H171 AromaticContact ND1-CE1 3.94Å; H139-H171 AromaticContact ND1-NE2 2.97Å; H139-H171 PolarHBondContact ND1-NE2 2.93Å; V140-H171 PolarHBondContact O-N 3.1Å; A141-H171 VanDerWaalsContact CA-O 3.29Å; A141-H171 WeakPolarHBondContact CA-O 3.33Å; A141-H171 HydrophobicContact CB-CB 4.32Å; I142-H171 PolarHBondContact N-O 3.2Å; H169-H171 AromaticContact CD2-CE1 3.94Å; H169-H171 AromaticContact CD2-NE2 3.93Å; H169-H171 AromaticContact CE1-CE1 3.53Å; H169-H171 AromaticContact CE1-NE2 3.91Å; H169-H171 AromaticContact CG-NE2 3.76Å; H169-H171 AromaticContact ND1-CE1 3.85Å; H169-H171 AromaticContact ND1-NE2 3.78Å; H169-H171 AromaticContact NE2-CE1 3.57Å; H169-H171 AromaticContact NE2-NE2 4Å; H171-Y199 HydrophobicContact CB-CD2 4.37Å; H171-Y199 HydrophobicContact CB-CE2 3.65Å; H171-Y199 AromaticContact ND1-CE2 3.6Å; H171-Y199 AromaticContact ND1-CZ 3.66Å; H171-Y199 PolarHBondContact ND1-OH 2.98Å; H171-L231 HydrophobicContact CB-CD2 3.54Å
172	L	98.6	Very high	97.1	Very high	1 Å²	1	31.7 Å²	31.7	1%	0.005	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	111.3	-172.5	-58.6	-177.2	0	0	0	110.2	I142 F170 A174 L182 F186 V196 D197 F198 Y199	I142-L172 HydrophobicContact CB-CD2 3.8Å; I142-L172 HydrophobicContact CD1-CD2 4.11Å; I142-L172 HydrophobicContact CG1-CD2 4.3Å; I142-L172 WeakPolarHBondContact O-CA 3.42Å; F170-L172 HydrophobicContact CB-CD2 4.23Å; F170-L172 HydrophobicContact CB-CG 4.34Å; L172-A174 PolarHBondContact O-N 3.06Å; L172-L182 HydrophobicContact CD1-CB 4.37Å; L172-L182 HydrophobicContact CD1-CD1 4Å; L172-F186 HydrophobicContact CD1-CE2 3.97Å; L172-V196 HydrophobicContact CD1-CG1 3.5Å; L172-V196 HydrophobicContact CG-CG1 3.93Å; L172-D197 PolarHBondContact N-O 3.21Å; L172-F198 HydrophobicContact CB-CD1 3.87Å; L172-F198 HydrophobicContact CB-CE1 3.99Å; L172-F198 HydrophobicContact CD1-CD1 4.29Å; L172-F198 HydrophobicContact CD1-CE1 3.56Å; L172-F198 HydrophobicContact CD1-CZ 3.93Å; L172-F198 HydrophobicContact CG-CE1 4.36Å; L172-F198 CarbonylContact O-C 3.22Å; L172-F198 WeakPolarHBondContact O-CA 3.33Å; L172-Y199 PolarHBondContact O-N 2.92Å
173	I	98.4	Very high	97.1	Very high	1 Å²	1	29 Å²	29	1%	0.005	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	107	166.9	-61.4	179.1	0	0	0	107.2	I142 V143 C144 Y199 A201 L204 M223 L227 T230	I142-I173 PolarHBondContact O-N 2.95Å; V143-I173 HydrophobicContact CG1-CG2 4.5Å; V143-I173 HydrophobicContact CG2-CB 4.25Å; V143-I173 HydrophobicContact CG2-CD1 4.27Å; C144-I173 PolarHBondContact N-O 3.29Å; I173-Y199 WeakPolarHBondContact CA-O 3.17Å; I173-A201 HydrophobicContact CG2-CB 3.79Å; I173-L204 HydrophobicContact CD1-CD1 4.37Å; I173-L204 HydrophobicContact CG2-CD1 4Å; I173-M223 HydrophobicContact CG2-CB 4.42Å; I173-L227 HydrophobicContact CD1-CD2 3.44Å; I173-L227 VanDerWaalsContact CD1-CD2 3.44Å; I173-L227 HydrophobicContact CD1-CG 4.35Å; I173-L227 HydrophobicContact CG1-CD2 4.42Å; I173-T230 HydrophobicContact CD1-CG2 4Å; I173-T230 HydrophobicContact CG1-CG2 4.12Å
174	A	98	Very high	97.2	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	146	-169.4	0	0	0	0	0	111.7	C144 L172 A178 E179 F198 Y199 N200 A201	C144-A174 VanDerWaalsContact O-CA 3.27Å; C144-A174 WeakPolarHBondContact O-CA 3.35Å; C144-A174 WeakPolarHBondContact O-CB 3.26Å; L172-A174 PolarHBondContact O-N 3.06Å; A174-A178 HydrophobicContact CB-CB 3.99Å; A174-E179 HydrophobicContact CB-CB 4.23Å; A174-F198 HydrophobicContact CB-CD1 4.11Å; A174-Y199 PolarHBondContact N-O 3.46Å; A174-N200 WeakPolarHBondContact O-CA 3.35Å; A174-A201 WeakPolarHBondContact O-CB 3.21Å; A174-A201 PolarHBondContact O-N 3.03Å
175	D	96.5	Very high	97.4	Very high	12 Å²	12	27.9 Å²	27.9	6%	0.064	14%	0.141	C	C	.	.			trans	-75.4	168.5	163.5	63.1	-4.5	0	0	0	110.2	A145 G146 I177 A178 E179 Y220	A145-D175 HydrophobicContact CB-CB 4.31Å; G146-D175 PolarHBondContact N-OD1 2.83Å; G146-D175 PolarHBondContact N-OD2 3.18Å; G146-D175 VanDerWaalsContact N-OD2 3.09Å; D175-I177 PolarHBondContact O-N 2.92Å; D175-I177 VanDerWaalsContact O-N 3.13Å; D175-A178 PolarHBondContact O-N 2.85Å; D175-A178 VanDerWaalsContact O-N 3.12Å; D175-A178 WeakPolarHBondContact OD1-CB 3.46Å; D175-A178 PolarHBondContact OD1-N 3.43Å; D175-E179 WeakPolarHBondContact O-CB 3.15Å; D175-E179 PolarHBondContact O-N 2.95Å; D175-Y220 HydrophobicContact CB-CE1 4.42Å
176	S	95.9	Very high	97.5	Very high	70 Å²	70	20.3 Å²	20.3	49%	0.49	11%	0.114	S	C	.	.	H	α-helix	trans	-54.5	-35.3	-177.9	53.5	0	0	0	0	113.6	Q180	S176-Q180 WeakPolarHBondContact O-CB 3.44Å; S176-Q180 PolarHBondContact O-N 3.05Å; S176-Q180 VanDerWaalsContact O-N 3.09Å
177	I	95.5	Very high	97.5	Very high	49 Å²	49	26 Å²	26	25%	0.251	14%	0.14	S	C	.	.	H	α-helix	trans	-66.1	-54.4	176.5	-65.5	167.1	0	0	0	110.6	Y147 D175 E179 Q180 I181	Y147-I177 HydrophobicContact CD1-CG2 3.78Å; Y147-I177 HydrophobicContact CD2-CG2 4.3Å; Y147-I177 HydrophobicContact CE1-CG2 3.38Å; Y147-I177 HydrophobicContact CE2-CD1 3.96Å; Y147-I177 HydrophobicContact CE2-CG2 3.96Å; Y147-I177 HydrophobicContact CG-CG2 4.21Å; Y147-I177 VanDerWaalsContact CZ-CG2 3.46Å; D175-I177 PolarHBondContact O-N 2.92Å; D175-I177 VanDerWaalsContact O-N 3.13Å; I177-E179 VanDerWaalsContact C-N 3.32Å; I177-E179 PolarHBondContact O-N 3.14Å; I177-Q180 PolarHBondContact O-N 2.98Å; I177-I181 HydrophobicContact CG2-CD1 3.84Å; I177-I181 VanDerWaalsContact O-CG1 3.29Å; I177-I181 WeakPolarHBondContact O-CG1 3.49Å; I177-I181 PolarHBondContact O-N 3.2Å; I177-I181 VanDerWaalsContact O-N 3.13Å
178	A	97.6	Very high	97.5	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-65.6	-36.6	-178.5	0	0	0	0	0	112	C144 S150 A174 D175 I181 L182	C144-A178 WeakPolarHBondContact O-CB 3.4Å; S150-A178 WeakPolarHBondContact OG-CA 3.33Å; S150-A178 WeakPolarHBondContact OG-CB 3.48Å; A174-A178 HydrophobicContact CB-CB 3.99Å; D175-A178 PolarHBondContact O-N 2.85Å; D175-A178 VanDerWaalsContact O-N 3.12Å; D175-A178 WeakPolarHBondContact OD1-CB 3.46Å; D175-A178 PolarHBondContact OD1-N 3.43Å; A178-I181 PolarHBondContact O-N 2.94Å; A178-L182 VanDerWaalsContact O-CB 3.24Å; A178-L182 WeakPolarHBondContact O-CB 3.34Å; A178-L182 VanDerWaalsContact O-CG 3.25Å; A178-L182 WeakPolarHBondContact O-CG 3.38Å; A178-L182 PolarHBondContact O-N 2.76Å
179	E	98.2	Very high	97.5	Very high	72 Å²	72	26.4 Å²	26.4	34%	0.336	14%	0.142	S	C	.	.	H	α-helix	trans	-58.6	-50.9	173.4	180	174.7	177	0	0	111	A174 D175 I177 I181 L182 A183 F198	A174-E179 HydrophobicContact CB-CB 4.23Å; D175-E179 WeakPolarHBondContact O-CB 3.15Å; D175-E179 PolarHBondContact O-N 2.95Å; I177-E179 VanDerWaalsContact C-N 3.32Å; I177-E179 PolarHBondContact O-N 3.14Å; E179-I181 VanDerWaalsContact C-N 3.32Å; E179-I181 PolarHBondContact O-N 3.42Å; E179-L182 PolarHBondContact O-N 3.31Å; E179-A183 WeakPolarHBondContact O-CB 3.2Å; E179-A183 PolarHBondContact O-N 3.4Å; E179-F198 HydrophobicContact CB-CD1 4.1Å; E179-F198 HydrophobicContact CG-CB 4.03Å; E179-F198 HydrophobicContact CG-CD1 3.86Å; E179-F198 HydrophobicContact CG-CD2 4.33Å; E179-F198 HydrophobicContact CG-CE1 4.43Å; E179-F198 HydrophobicContact CG-CG 3.81Å
180	Q	97.4	Very high	97.2	Very high	85 Å²	85	27.3 Å²	27.3	40%	0.397	15%	0.147	S	C	.	.	H	α-helix	trans	-57.1	-45.7	178.6	-177.1	-179.4	21.5	0	0	112.3	S176 I177 T184 L458	S176-Q180 WeakPolarHBondContact O-CB 3.44Å; S176-Q180 PolarHBondContact O-N 3.05Å; S176-Q180 VanDerWaalsContact O-N 3.09Å; I177-Q180 PolarHBondContact O-N 2.98Å; Q180-T184 WeakPolarHBondContact O-CB 3.39Å; Q180-T184 PolarHBondContact O-N 2.91Å; Q180-T184 PolarHBondContact O-OG1 2.77Å; Q180-L458 HydrophobicContact CG-CD1 4.3Å
181	I	98.5	Very high	96.9	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-65.6	-51.5	-178.6	-64.9	168.7	0	0	0	110.5	Y147 I177 A178 E179 L185 L458 Y459	Y147-I181 HydrophobicContact CD1-CD1 3.76Å; Y147-I181 HydrophobicContact CE1-CD1 4.17Å; I177-I181 HydrophobicContact CG2-CD1 3.84Å; I177-I181 VanDerWaalsContact O-CG1 3.29Å; I177-I181 WeakPolarHBondContact O-CG1 3.49Å; I177-I181 PolarHBondContact O-N 3.2Å; I177-I181 VanDerWaalsContact O-N 3.13Å; A178-I181 PolarHBondContact O-N 2.94Å; E179-I181 VanDerWaalsContact C-N 3.32Å; E179-I181 PolarHBondContact O-N 3.42Å; I181-L185 WeakPolarHBondContact O-CB 3.07Å; I181-L185 PolarHBondContact O-N 2.81Å; I181-L458 HydrophobicContact CG1-CB 4.36Å; I181-L458 WeakPolarHBondContact CG1-O 3.35Å; I181-L458 WeakPolarHBondContact CG2-O 3.5Å; I181-Y459 HydrophobicContact CG1-CD2 4.21Å
182	L	98.6	Very high	96.5	Very high	2 Å²	2	29.8 Å²	29.8	1%	0.01	16%	0.163	C	C	.	.	H	α-helix	trans	-75.6	-35.4	-173	-65.7	175	0	0	0	111.9	C144 V153 L172 A178 E179 T184 L185 F186 F198	C144-L182 HydrophobicContact CB-CD1 4.27Å; V153-L182 HydrophobicContact CG1-CD1 4.22Å; V153-L182 HydrophobicContact CG1-CD2 3.75Å; L172-L182 HydrophobicContact CD1-CB 4.37Å; L172-L182 HydrophobicContact CD1-CD1 4Å; A178-L182 VanDerWaalsContact O-CB 3.24Å; A178-L182 WeakPolarHBondContact O-CB 3.34Å; A178-L182 VanDerWaalsContact O-CG 3.25Å; A178-L182 WeakPolarHBondContact O-CG 3.38Å; A178-L182 PolarHBondContact O-N 2.76Å; E179-L182 PolarHBondContact O-N 3.31Å; L182-T184 VanDerWaalsContact C-N 3.35Å; L182-L185 HydrophobicContact CD2-CD2 4.22Å; L182-L185 PolarHBondContact O-N 3.24Å; L182-F186 HydrophobicContact CB-CD2 4.42Å; L182-F186 WeakPolarHBondContact O-CB 3.49Å; L182-F186 VanDerWaalsContact O-CD2 3.29Å; L182-F186 WeakPolarHBondContact O-CD2 3.48Å; L182-F186 PolarHBondContact O-N 2.87Å; L182-F198 HydrophobicContact CB-CE1 3.74Å; L182-F198 HydrophobicContact CB-CZ 3.84Å
183	A	98	Very high	96.2	Very high	35 Å²	35	31 Å²	31	29%	0.289	17%	0.173	S	C	.	.	H	α-helix	trans	-60.2	-47.9	173.5	0	0	0	0	0	110.3	E179 L185 Q187 F198	E179-A183 WeakPolarHBondContact O-CB 3.2Å; E179-A183 PolarHBondContact O-N 3.4Å; A183-L185 VanDerWaalsContact C-N 3.34Å; A183-L185 PolarHBondContact O-N 2.95Å; A183-Q187 WeakPolarHBondContact O-CB 3.29Å; A183-Q187 PolarHBondContact O-N 2.85Å; A183-F198 HydrophobicContact CB-CE2 3.78Å; A183-F198 HydrophobicContact CB-CZ 3.98Å
184	T	98.1	Very high	96	Very high	31 Å²	31	32.4 Å²	32.4	19%	0.19	18%	0.182	C	C	.	.	H	α-helix	trans	-61.8	-43.9	175	-56.4	0	0	0	0	111.2	Q180 L182 T188 T456 L458	Q180-T184 WeakPolarHBondContact O-CB 3.39Å; Q180-T184 PolarHBondContact O-N 2.91Å; Q180-T184 PolarHBondContact O-OG1 2.77Å; L182-T184 VanDerWaalsContact C-N 3.35Å; T184-T188 HydrophobicContact CG2-CG2 4.27Å; T184-T188 WeakPolarHBondContact O-CB 3.26Å; T184-T188 WeakPolarHBondContact O-CG2 3.41Å; T184-T188 PolarHBondContact O-N 3.34Å; T184-T188 PolarHBondContact O-OG1 2.98Å; T184-T456 HydrophobicContact CG2-CG2 4.34Å; T184-L458 HydrophobicContact CG2-CD1 3.82Å; T184-L458 HydrophobicContact CG2-CD2 4.37Å; T184-L458 HydrophobicContact CG2-CG 3.89Å; T184-L458 VanDerWaalsContact OG1-CD1 3.28Å; T184-L458 WeakPolarHBondContact OG1-CD1 3.06Å
185	L	98.4	Very high	95.8	Very high	2 Å²	2	37.6 Å²	37.6	1%	0.01	20%	0.201	C	C	.	.	H	α-helix	trans	-60.1	-55	179.4	-178.9	66	0	0	0	111.2	V154 I181 L182 A183 T188 W189 R455 T456 H457 Y535	V154-L185 HydrophobicContact CG2-CD2 3.62Å; I181-L185 WeakPolarHBondContact O-CB 3.07Å; I181-L185 PolarHBondContact O-N 2.81Å; L182-L185 HydrophobicContact CD2-CD2 4.22Å; L182-L185 PolarHBondContact O-N 3.24Å; A183-L185 VanDerWaalsContact C-N 3.34Å; A183-L185 PolarHBondContact O-N 2.95Å; L185-T188 PolarHBondContact O-N 2.84Å; L185-T188 PolarHBondContact O-OG1 2.87Å; L185-W189 HydrophobicContact CG-CE3 4.28Å; L185-W189 WeakPolarHBondContact O-CB 3.43Å; L185-W189 PolarHBondContact O-N 3.03Å; L185-R455 HydrophobicContact CD1-CG 3.64Å; L185-T456 VanDerWaalsContact CA-O 3.28Å; L185-T456 WeakPolarHBondContact CA-O 3.28Å; L185-H457 HydrophobicContact CD1-CB 4.26Å; L185-Y535 HydrophobicContact CD1-CE2 4.38Å
186	F	97.1	Very high	95.9	Very high	24 Å²	24	38.5 Å²	38.5	11%	0.105	21%	0.207	C	C	.	.	H	α-helix	trans	-66.5	-41.1	-177.9	-82.1	-77.6	0	0	0	112.4	V157 F170 L172 L182 T188 W189 M190 V194 V196	V157-F186 HydrophobicContact CG1-CE1 3.92Å; V157-F186 HydrophobicContact CG1-CZ 3.89Å; V157-F186 HydrophobicContact CG2-CZ 3.95Å; F170-F186 HydrophobicContact CD2-CE1 4.34Å; F170-F186 HydrophobicContact CD2-CZ 4.42Å; F170-F186 HydrophobicContact CE2-CE1 4.49Å; L172-F186 HydrophobicContact CD1-CE2 3.97Å; L182-F186 HydrophobicContact CB-CD2 4.42Å; L182-F186 WeakPolarHBondContact O-CB 3.49Å; L182-F186 VanDerWaalsContact O-CD2 3.29Å; L182-F186 WeakPolarHBondContact O-CD2 3.48Å; L182-F186 PolarHBondContact O-N 2.87Å; F186-T188 PolarHBondContact O-N 2.83Å; F186-W189 HydrophobicContact CD1-CE3 4.46Å; F186-W189 PolarHBondContact O-N 2.92Å; F186-M190 PolarHBondContact O-N 3Å; F186-M190 VanDerWaalsContact O-N 3.09Å; F186-V194 HydrophobicContact CD1-CG1 4.43Å; F186-V194 HydrophobicContact CE1-CG1 4.31Å; F186-V196 HydrophobicContact CB-CG2 4.1Å; F186-V196 HydrophobicContact CD1-CG2 3.59Å; F186-V196 HydrophobicContact CD2-CG1 4.24Å; F186-V196 HydrophobicContact CD2-CG2 3.97Å; F186-V196 HydrophobicContact CE1-CG2 3.87Å; F186-V196 HydrophobicContact CE2-CG1 4.46Å; F186-V196 HydrophobicContact CE2-CG2 4.25Å; F186-V196 HydrophobicContact CG-CG2 3.63Å; F186-V196 HydrophobicContact CZ-CG2 4.19Å
187	Q	95.2	Very high	96	Very high	126 Å²	126	37.2 Å²	37.2	59%	0.589	20%	0.195	S	C	*	.	H	α-helix	trans	-59.2	-48	175.6	-176.3	-175.7	16.9	0	0	111.1	A183 W189 M190	A183-Q187 WeakPolarHBondContact O-CB 3.29Å; A183-Q187 PolarHBondContact O-N 2.85Å; Q187-W189 VanDerWaalsContact C-N 3.32Å; Q187-M190 WeakPolarHBondContact O-CG 3.09Å
188	T	95.8	Very high	96.1	Very high	23 Å²	23	37.3 Å²	37.3	14%	0.141	19%	0.194	C	C	.	.	H	α-helix	trans	-78	-17.9	179	60	0	0	0	0	112.9	T184 L185 F186 R413 H454 T456	T184-T188 HydrophobicContact CG2-CG2 4.27Å; T184-T188 WeakPolarHBondContact O-CB 3.26Å; T184-T188 WeakPolarHBondContact O-CG2 3.41Å; T184-T188 PolarHBondContact O-N 3.34Å; T184-T188 PolarHBondContact O-OG1 2.98Å; L185-T188 PolarHBondContact O-N 2.84Å; L185-T188 PolarHBondContact O-OG1 2.87Å; F186-T188 PolarHBondContact O-N 2.83Å; T188-R413 PolarHBondContact O-NH2 3.35Å; T188-H454 WeakPolarHBondContact CB-O 3.32Å; T188-T456 PolarHBondContact OG1-N 3.1Å
189	W	96	Very high	96.2	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-75	-32.3	174.3	-158.8	-9.6	0	0	0	111.3	V157 K158 L161 L185 F186 Q187 V191 G409 L412 R413 R455	V157-W189 HydrophobicContact CB-CZ3 4.47Å; V157-W189 HydrophobicContact CG1-CH2 3.9Å; V157-W189 HydrophobicContact CG1-CZ3 3.7Å; K158-W189 HydrophobicContact CG-CH2 3.7Å; K158-W189 HydrophobicContact CG-CZ2 4Å; L161-W189 HydrophobicContact CD1-CH2 3.88Å; L161-W189 HydrophobicContact CD1-CZ2 3.9Å; L161-W189 HydrophobicContact CD1-CZ3 4.37Å; L185-W189 HydrophobicContact CG-CE3 4.28Å; L185-W189 WeakPolarHBondContact O-CB 3.43Å; L185-W189 PolarHBondContact O-N 3.03Å; F186-W189 HydrophobicContact CD1-CE3 4.46Å; F186-W189 PolarHBondContact O-N 2.92Å; Q187-W189 VanDerWaalsContact C-N 3.32Å; W189-V191 VanDerWaalsContact C-N 3.33Å; W189-V191 HydrophobicContact CB-CG2 4.06Å; W189-V191 HydrophobicContact CD2-CG2 3.7Å; W189-V191 HydrophobicContact CG-CG2 3.42Å; W189-V191 VanDerWaalsContact CG-CG2 3.42Å; W189-V191 PolarHBondContact O-N 3.4Å; W189-G409 PolarHBondContact NE1-O 3.32Å; W189-L412 HydrophobicContact CZ2-CB 4.49Å; W189-L412 HydrophobicContact CZ2-CD1 3.84Å; W189-R413 WeakPolarHBondContact O-CD 3.47Å; W189-R413 WeakPolarHBondContact O-CG 3.4Å; W189-R413 PolarHBondContact O-NE 3.3Å; W189-R455 HydrophobicContact CB-CG 4.04Å; W189-R455 HydrophobicContact CG-CG 4.1Å
190	M	91.8	Very high	96.1	Very high	37 Å²	37	38 Å²	38	18%	0.182	20%	0.197	C	C	.	.			trans	50.5	50.5	175.1	-54.7	-175	-50.4	0	0	112.7	F186 Q187 P192 L430 V453	F186-M190 PolarHBondContact O-N 3Å; F186-M190 VanDerWaalsContact O-N 3.09Å; Q187-M190 WeakPolarHBondContact O-CG 3.09Å; M190-P192 WeakPolarHBondContact O-CD 3.48Å; M190-L430 HydrophobicContact CE-CD2 3.8Å; M190-L430 HydrophobicContact SD-CD2 4.09Å; M190-V453 HydrophobicContact CE-CB 3.53Å; M190-V453 HydrophobicContact CE-CG1 3.94Å; M190-V453 HydrophobicContact CE-CG2 4Å; M190-V453 HydrophobicContact CG-CG1 4.41Å; M190-V453 HydrophobicContact SD-CB 3.83Å; M190-V453 HydrophobicContact SD-CG1 3.77Å; M190-V453 HydrophobicContact SD-CG2 3.89Å
191	V	92.6	Very high	96	Very high	13 Å²	13	33.9 Å²	33.9	8%	0.079	18%	0.178	C	C	.	.			trans	-82.2	121.6	-179.4	-177	0	0	0	0	109.3	L161 W189 V194	L161-V191 HydrophobicContact CD1-CG1 4.16Å; L161-V191 HydrophobicContact CD1-CG2 4.14Å; L161-V191 HydrophobicContact CD2-CG1 4.02Å; W189-V191 VanDerWaalsContact C-N 3.33Å; W189-V191 HydrophobicContact CB-CG2 4.06Å; W189-V191 HydrophobicContact CD2-CG2 3.7Å; W189-V191 HydrophobicContact CG-CG2 3.42Å; W189-V191 VanDerWaalsContact CG-CG2 3.42Å; W189-V191 PolarHBondContact O-N 3.4Å; V191-V194 HydrophobicContact CB-CB 4.26Å; V191-V194 HydrophobicContact CB-CG2 3.89Å; V191-V194 HydrophobicContact CG1-CB 4.38Å; V191-V194 HydrophobicContact CG1-CG2 3.5Å; V191-V194 VanDerWaalsContact CG1-CG2 3.5Å; V191-V194 PolarHBondContact O-N 2.98Å
192	P	90.5	Very high	95.7	Very high	43 Å²	43	36.7 Å²	36.7	28%	0.279	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	147.6	179.7	-24.2	34.2	0	0	0	112.5	R164 M190 V194 R413 E415	R164-P192 PolarHBondContact NH1-O 3Å; R164-P192 PolarHBondContact NH2-O 3.36Å; M190-P192 WeakPolarHBondContact O-CD 3.48Å; P192-V194 PolarHBondContact O-N 3.42Å; P192-R413 WeakPolarHBondContact CD-O 3.18Å; P192-R413 VanDerWaalsContact CG-O 3.27Å; P192-R413 WeakPolarHBondContact CG-O 3.44Å; P192-E415 HydrophobicContact CB-CB 4.43Å; P192-E415 HydrophobicContact CB-CG 4.42Å; P192-E415 HydrophobicContact CG-CB 4.34Å
193	A	92	Very high	95.5	Very high	26 Å²	26	43.5 Å²	43.5	22%	0.215	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.6	34.3	180	0	0	0	0	0	113.7	P167 L168 F417	P167-A193 WeakPolarHBondContact CA-O 3.43Å; P167-A193 HydrophobicContact CB-CB 4.16Å; P167-A193 HydrophobicContact CG-CB 4.43Å; L168-A193 PolarHBondContact N-O 3.36Å; A193-F417 HydrophobicContact CB-CE2 3.71Å; A193-F417 HydrophobicContact CB-CZ 4.2Å
194	V	94.1	Very high	95.4	Very high	31 Å²	31	42.9 Å²	42.9	19%	0.188	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	122.9	170.8	179.9	0	0	0	0	109	L161 L168 F170 F186 V191 P192 V196	L161-V194 HydrophobicContact CD2-CG2 3.78Å; L168-V194 CarbonylContact O-C 3.54Å; L168-V194 WeakPolarHBondContact O-CA 3.36Å; F170-V194 HydrophobicContact CD2-CG1 3.72Å; F170-V194 HydrophobicContact CE2-CG1 3.82Å; F186-V194 HydrophobicContact CD1-CG1 4.43Å; F186-V194 HydrophobicContact CE1-CG1 4.31Å; V191-V194 HydrophobicContact CB-CB 4.26Å; V191-V194 HydrophobicContact CB-CG2 3.89Å; V191-V194 HydrophobicContact CG1-CB 4.38Å; V191-V194 HydrophobicContact CG1-CG2 3.5Å; V191-V194 VanDerWaalsContact CG1-CG2 3.5Å; V191-V194 PolarHBondContact O-N 2.98Å; P192-V194 PolarHBondContact O-N 3.42Å; V194-V196 HydrophobicContact CG1-CG2 4.06Å
195	R	94.9	Very high	95.2	Very high	109 Å²	109	44.5 Å²	44.5	41%	0.411	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	145.3	168.3	-174.5	173.3	173.3	149.9	-6.3	109.7	L168 H169 F170 D197 E422	L168-R195 PolarHBondContact O-N 3.26Å; H169-R195 CarbonylContact C-O 3.54Å; H169-R195 WeakPolarHBondContact CA-O 3.15Å; H169-R195 HydrophobicContact CB-CB 4.41Å; F170-R195 PolarHBondContact N-O 3.45Å; R195-D197 IonicContact NE-OD1 3.98Å; R195-D197 PolarHBondContact NE-OD1 3.48Å; R195-D197 IonicContact NE-OD2 2.86Å; R195-D197 IonicContact NH2-OD1 2.72Å; R195-D197 IonicContact NH2-OD2 3.3Å; R195-E422 IonicContact NH1-OE1 3.58Å; R195-E422 PolarHBondContact NH1-OE1 3.18Å; R195-E422 IonicContact NH1-OE2 2.88Å; R195-E422 PolarHBondContact NH1-OE2 3.16Å; R195-E422 VanDerWaalsContact NH1-OE2 3.07Å
196	V	97.5	Very high	95	Very high	31 Å²	31	48.2 Å²	48.2	19%	0.188	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	123	176.3	-172.6	0	0	0	0	108.7	F170 L172 F186 V194 F198	F170-V196 HydrophobicContact CB-CG1 4.34Å; F170-V196 HydrophobicContact CB-CG2 4.25Å; F170-V196 HydrophobicContact CD2-CG2 4.34Å; F170-V196 WeakPolarHBondContact O-CA 3.49Å; L172-V196 HydrophobicContact CD1-CG1 3.5Å; L172-V196 HydrophobicContact CG-CG1 3.93Å; F186-V196 HydrophobicContact CB-CG2 4.1Å; F186-V196 HydrophobicContact CD1-CG2 3.59Å; F186-V196 HydrophobicContact CD2-CG1 4.24Å; F186-V196 HydrophobicContact CD2-CG2 3.97Å; F186-V196 HydrophobicContact CE1-CG2 3.87Å; F186-V196 HydrophobicContact CE2-CG1 4.46Å; F186-V196 HydrophobicContact CE2-CG2 4.25Å; F186-V196 HydrophobicContact CG-CG2 3.63Å; F186-V196 HydrophobicContact CZ-CG2 4.19Å; V194-V196 HydrophobicContact CG1-CG2 4.06Å; V196-F198 HydrophobicContact CG1-CD2 4.43Å; V196-F198 HydrophobicContact CG1-CE1 4.45Å; V196-F198 HydrophobicContact CG1-CE2 3.79Å; V196-F198 HydrophobicContact CG1-CZ 3.79Å
197	D	98.2	Very high	95	Very high	43 Å²	43	48.8 Å²	48.8	23%	0.23	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	139.5	170.7	-66.2	-26.4	0	0	0	109.4	H169 F170 L172 R195 Y199	H169-D197 IonicContact CE1-OD2 4Å; H169-D197 PolarHBondContact CE1-OD2 3.22Å; H169-D197 VanDerWaalsContact NE2-CG 3.3Å; H169-D197 IonicContact NE2-OD1 3.03Å; H169-D197 IonicContact NE2-OD2 2.94Å; H169-D197 PolarHBondContact NE2-OD2 3.48Å; F170-D197 PolarHBondContact O-N 3.39Å; L172-D197 PolarHBondContact N-O 3.21Å; R195-D197 IonicContact NE-OD1 3.98Å; R195-D197 PolarHBondContact NE-OD1 3.48Å; R195-D197 IonicContact NE-OD2 2.86Å; R195-D197 IonicContact NH2-OD1 2.72Å; R195-D197 IonicContact NH2-OD2 3.3Å; D197-Y199 HydrophobicContact CB-CE2 4.11Å
198	F	98.4	Very high	95	Very high	51 Å²	51	42.8 Å²	42.8	22%	0.224	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	143.9	179.7	-66.8	-86.5	0	0	0	111.3	L172 A174 E179 L182 A183 V196	L172-F198 HydrophobicContact CB-CD1 3.87Å; L172-F198 HydrophobicContact CB-CE1 3.99Å; L172-F198 HydrophobicContact CD1-CD1 4.29Å; L172-F198 HydrophobicContact CD1-CE1 3.56Å; L172-F198 HydrophobicContact CD1-CZ 3.93Å; L172-F198 HydrophobicContact CG-CE1 4.36Å; L172-F198 CarbonylContact O-C 3.22Å; L172-F198 WeakPolarHBondContact O-CA 3.33Å; A174-F198 HydrophobicContact CB-CD1 4.11Å; E179-F198 HydrophobicContact CB-CD1 4.1Å; E179-F198 HydrophobicContact CG-CB 4.03Å; E179-F198 HydrophobicContact CG-CD1 3.86Å; E179-F198 HydrophobicContact CG-CD2 4.33Å; E179-F198 HydrophobicContact CG-CE1 4.43Å; E179-F198 HydrophobicContact CG-CG 3.81Å; L182-F198 HydrophobicContact CB-CE1 3.74Å; L182-F198 HydrophobicContact CB-CZ 3.84Å; A183-F198 HydrophobicContact CB-CE2 3.78Å; A183-F198 HydrophobicContact CB-CZ 3.98Å; V196-F198 HydrophobicContact CG1-CD2 4.43Å; V196-F198 HydrophobicContact CG1-CE1 4.45Å; V196-F198 HydrophobicContact CG1-CE2 3.79Å; V196-F198 HydrophobicContact CG1-CZ 3.79Å
199	Y	98.2	Very high	95	Very high	38 Å²	38	45.2 Å²	45.2	15%	0.149	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	119.2	175.9	-56.2	-93.1	0	0	0	108.2	H171 L172 I173 A174 D197 A201 T230 L231 P232	H171-Y199 HydrophobicContact CB-CD2 4.37Å; H171-Y199 HydrophobicContact CB-CE2 3.65Å; H171-Y199 AromaticContact ND1-CE2 3.6Å; H171-Y199 AromaticContact ND1-CZ 3.66Å; H171-Y199 PolarHBondContact ND1-OH 2.98Å; L172-Y199 PolarHBondContact O-N 2.92Å; I173-Y199 WeakPolarHBondContact CA-O 3.17Å; A174-Y199 PolarHBondContact N-O 3.46Å; D197-Y199 HydrophobicContact CB-CE2 4.11Å; Y199-A201 PolarHBondContact O-N 3.35Å; Y199-A201 VanDerWaalsContact O-N 3.09Å; Y199-T230 HydrophobicContact CD1-CG2 3.71Å; Y199-T230 WeakPolarHBondContact CD1-O 3.37Å; Y199-T230 WeakPolarHBondContact CE1-O 3.34Å; Y199-T230 HydrophobicContact CG-CG2 3.73Å; Y199-L231 HydrophobicContact CD2-CD2 4.38Å; Y199-L231 HydrophobicContact CE2-CD2 3.95Å; Y199-P232 VanDerWaalsContact OH-CD 3.3Å; Y199-P232 WeakPolarHBondContact OH-CD 3.39Å; Y199-P232 WeakPolarHBondContact OH-CG 3.49Å
200	N	96.9	Very high	95.1	Very high	47 Å²	47	49.5 Å²	49.5	25%	0.251	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.7	111.8	-173	-173.1	-11.1	0	0	0	111.3	A174 D202 E203	A174-N200 WeakPolarHBondContact O-CA 3.35Å; N200-D202 PolarHBondContact O-N 2.79Å; N200-D202 VanDerWaalsContact OD1-CB 3.27Å; N200-D202 WeakPolarHBondContact OD1-CB 3.35Å; N200-D202 PolarHBondContact OD1-N 2.73Å; N200-E203 HydrophobicContact CB-CB 4.49Å; N200-E203 HydrophobicContact CB-CG 4.05Å; N200-E203 PolarHBondContact ND2-OE1 3.39Å; N200-E203 PolarHBondContact O-N 3.27Å
201	A	95.4	Very high	95.3	Very high	0 Å²	0	48 Å²	48	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-64.4	-27.7	179.1	0	0	0	0	0	112.3	I173 A174 Y199 E203 L204 K205 Y220	I173-A201 HydrophobicContact CG2-CB 3.79Å; A174-A201 WeakPolarHBondContact O-CB 3.21Å; A174-A201 PolarHBondContact O-N 3.03Å; Y199-A201 PolarHBondContact O-N 3.35Å; Y199-A201 VanDerWaalsContact O-N 3.09Å; A201-E203 VanDerWaalsContact C-N 3.31Å; A201-E203 PolarHBondContact O-N 2.95Å; A201-L204 PolarHBondContact O-N 2.89Å; A201-K205 PolarHBondContact O-N 2.93Å; A201-Y220 HydrophobicContact CB-CD1 4.09Å; A201-Y220 HydrophobicContact CB-CE1 3.84Å
202	D	92.1	Very high	95.5	Very high	59 Å²	59	50.4 Å²	50.4	32%	0.316	26%	0.264	S	S	.	.	H	α-helix	trans	-66.8	-34	-179.9	-65	-37.1	0	0	0	111.8	N200 L204 K205	N200-D202 PolarHBondContact O-N 2.79Å; N200-D202 VanDerWaalsContact OD1-CB 3.27Å; N200-D202 WeakPolarHBondContact OD1-CB 3.35Å; N200-D202 PolarHBondContact OD1-N 2.73Å; D202-L204 PolarHBondContact O-N 2.82Å; D202-K205 PolarHBondContact O-N 2.05Å; D202-K205 WeakPolarHBondContact OD1-CE 3.41Å; D202-K205 IonicContact OD1-NZ 2.64Å; D202-K205 PolarHBondContact OD1-NZ 2.88Å
203	E	94.5	Very high	95.7	Very high	144 Å²	144	50.2 Å²	50.2	67%	0.673	26%	0.261	S	S	*	.	H	α-helix	trans	-69.6	-23.7	175.3	-65.7	174.6	-162.3	0	0	112.6	N200 A201	N200-E203 HydrophobicContact CB-CB 4.49Å; N200-E203 HydrophobicContact CB-CG 4.05Å; N200-E203 PolarHBondContact ND2-OE1 3.39Å; N200-E203 PolarHBondContact O-N 3.27Å; A201-E203 VanDerWaalsContact C-N 3.31Å; A201-E203 PolarHBondContact O-N 2.95Å
204	L	94.8	Very high	95.7	Very high	22 Å²	22	56.2 Å²	56.2	12%	0.115	28%	0.282	C	S	.	.	H	α-helix	trans	-92.9	-11	-178.5	-58.2	172.3	0	0	0	113	I173 A201 D202 S206 E207 M223 V226 T230	I173-L204 HydrophobicContact CD1-CD1 4.37Å; I173-L204 HydrophobicContact CG2-CD1 4Å; A201-L204 PolarHBondContact O-N 2.89Å; D202-L204 PolarHBondContact O-N 2.82Å; L204-S206 VanDerWaalsContact C-N 3.29Å; L204-S206 PolarHBondContact O-N 3.01Å; L204-E207 WeakPolarHBondContact O-CB 3.45Å; L204-E207 PolarHBondContact O-N 3.44Å; L204-E207 VanDerWaalsContact O-N 3.08Å; L204-M223 HydrophobicContact CB-SD 3.9Å; L204-V226 HydrophobicContact CB-CG2 4.42Å; L204-V226 HydrophobicContact CD1-CG2 4.26Å; L204-T230 HydrophobicContact CD1-CG2 3.66Å; L204-T230 WeakPolarHBondContact CD1-OG1 3.38Å; L204-T230 HydrophobicContact CD2-CG2 4.5Å; L204-T230 WeakPolarHBondContact CD2-OG1 3.29Å
205	K	94.4	Very high	95.5	Very high	65 Å²	65	56.4 Å²	56.4	28%	0.283	28%	0.281	S	S	.	.	H	α-helix	trans	-54.1	-43	-176.8	-78.6	178.2	174.4	168.2	0	112.8	A201 D202 E207 V208 S209 I219 Y220 M223	A201-K205 PolarHBondContact O-N 2.93Å; D202-K205 PolarHBondContact O-N 2.05Å; D202-K205 WeakPolarHBondContact OD1-CE 3.41Å; D202-K205 IonicContact OD1-NZ 2.64Å; D202-K205 PolarHBondContact OD1-NZ 2.88Å; K205-E207 PolarHBondContact O-N 3.33Å; K205-V208 PolarHBondContact O-N 3.15Å; K205-S209 WeakPolarHBondContact O-CB 3.38Å; K205-S209 PolarHBondContact O-N 2.68Å; K205-S209 PolarHBondContact O-OG 3.14Å; K205-I219 HydrophobicContact CB-CD1 4.1Å; K205-I219 HydrophobicContact CG-CD1 4.08Å; K205-Y220 VanDerWaalsContact CE-OH 3.32Å; K205-Y220 WeakPolarHBondContact CE-OH 3.45Å; K205-Y220 PolarHBondContact NZ-OH 3.47Å; K205-Y220 VanDerWaalsContact NZ-OH 3.1Å; K205-M223 HydrophobicContact CG-CE 4.13Å
206	S	95.4	Very high	95.2	Very high	80 Å²	80	57 Å²	57	56%	0.559	28%	0.284	S	S	*	.	H	α-helix	trans	-61.5	-24.9	-178.3	56.5	0	0	0	0	113.6	L204 V208	L204-S206 VanDerWaalsContact C-N 3.29Å; L204-S206 PolarHBondContact O-N 3.01Å; S206-V208 VanDerWaalsContact C-N 3.3Å; S206-V208 PolarHBondContact O-N 2.69Å
207	E	96	Very high	94.7	Very high	37 Å²	37	58 Å²	58	17%	0.173	29%	0.292	C	S	.	.	H	α-helix	trans	-74.1	-23.6	-176.2	-57.7	-73.1	148.9	0	0	112.8	L204 K205 W210 V226 K229 R317	L204-E207 WeakPolarHBondContact O-CB 3.45Å; L204-E207 PolarHBondContact O-N 3.44Å; L204-E207 VanDerWaalsContact O-N 3.08Å; K205-E207 PolarHBondContact O-N 3.33Å; E207-W210 PolarHBondContact O-NE1 3.46Å; E207-V226 HydrophobicContact CB-CG1 3.86Å; E207-K229 IonicContact OE1-NZ 3.95Å; E207-K229 PolarHBondContact OE1-NZ 3.19Å; E207-K229 IonicContact OE2-NZ 2.72Å; E207-K229 PolarHBondContact OE2-NZ 2.59Å; E207-R317 IonicContact OE2-CZ 3.3Å; E207-R317 IonicContact OE2-NH2 2.63Å; E207-R317 PolarHBondContact OE2-NH2 3.18Å
208	V	96.6	Very high	94.4	Very high	0 Å²	0	57.3 Å²	57.3	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-130.4	-11.9	-172.9	-62	0	0	0	0	114.1	K205 S206 W210 I211 I219 L222 M223 V226 W316	K205-V208 PolarHBondContact O-N 3.15Å; S206-V208 VanDerWaalsContact C-N 3.3Å; S206-V208 PolarHBondContact O-N 2.69Å; V208-W210 PolarHBondContact O-N 3.14Å; V208-W210 VanDerWaalsContact O-N 3.12Å; V208-I211 HydrophobicContact CB-CD1 4.25Å; V208-I211 WeakPolarHBondContact O-CB 3.36Å; V208-I211 WeakPolarHBondContact O-CG1 3.45Å; V208-I211 PolarHBondContact O-N 3.07Å; V208-I219 HydrophobicContact CG2-CD1 4.33Å; V208-I219 HydrophobicContact CG2-CG1 3.93Å; V208-L222 HydrophobicContact CB-CB 3.96Å; V208-L222 HydrophobicContact CB-CD1 4.3Å; V208-L222 HydrophobicContact CG1-CB 4.26Å; V208-L222 HydrophobicContact CG2-CB 4.07Å; V208-M223 HydrophobicContact CG2-CE 3.45Å; V208-M223 VanDerWaalsContact CG2-CE 3.45Å; V208-M223 HydrophobicContact CG2-SD 3.86Å; V208-V226 HydrophobicContact CG1-CG1 3.83Å; V208-W316 HydrophobicContact CG1-CH2 4.16Å
209	S	95.9	Very high	94.2	Very high	73 Å²	73	57.2 Å²	57.2	51%	0.51	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-22.2	-176.8	58.5	0	0	0	0	114.3	K205 I211	K205-S209 WeakPolarHBondContact O-CB 3.38Å; K205-S209 PolarHBondContact O-N 2.68Å; K205-S209 PolarHBondContact O-OG 3.14Å; S209-I211 PolarHBondContact O-N 3.25Å
210	W	96.5	Very high	93.9	Very high	91 Å²	91	58 Å²	58	35%	0.345	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-12.1	175.8	64.4	-90.1	0	0	0	113.4	E207 V208 P212 W316 R317 A320 E321 L324	E207-W210 PolarHBondContact O-NE1 3.46Å; V208-W210 PolarHBondContact O-N 3.14Å; V208-W210 VanDerWaalsContact O-N 3.12Å; W210-P212 WeakPolarHBondContact O-CD 3.34Å; W210-W316 HydrophobicContact CH2-CZ3 4.45Å; W210-W316 HydrophobicContact CZ2-CH2 4.12Å; W210-W316 AromaticContact CZ2-CZ3 3.66Å; W210-W316 HydrophobicContact CZ2-CZ3 3.66Å; W210-R317 HydrophobicContact CZ2-CG 4.2Å; W210-A320 HydrophobicContact CH2-CB 3.78Å; W210-A320 HydrophobicContact CZ3-CB 4.5Å; W210-E321 HydrophobicContact CH2-CG 3.78Å; W210-E321 HydrophobicContact CZ3-CG 3.84Å; W210-L324 HydrophobicContact CE3-CD1 4.25Å; W210-L324 HydrophobicContact CZ3-CD1 3.69Å
211	I	97.3	Very high	93.8	Very high	6 Å²	6	56.3 Å²	56.3	3%	0.031	29%	0.293	C	S	.	.	S	Bend	trans	-90.3	112	179.9	-53	169	0	0	0	109	V208 S209 N213 L222 L225 W316 L324 T330 I337	V208-I211 HydrophobicContact CB-CD1 4.25Å; V208-I211 WeakPolarHBondContact O-CB 3.36Å; V208-I211 WeakPolarHBondContact O-CG1 3.45Å; V208-I211 PolarHBondContact O-N 3.07Å; S209-I211 PolarHBondContact O-N 3.25Å; I211-N213 PolarHBondContact O-N 2.98Å; I211-L222 HydrophobicContact CB-CD1 3.96Å; I211-L222 HydrophobicContact CD1-CD1 4.41Å; I211-L222 HydrophobicContact CG2-CD1 4.2Å; I211-L222 HydrophobicContact CG2-CD2 4.28Å; I211-L225 HydrophobicContact CD1-CD1 4.3Å; I211-W316 HydrophobicContact CD1-CH2 4.27Å; I211-W316 HydrophobicContact CD1-CZ3 3.68Å; I211-L324 HydrophobicContact CG2-CD1 4.37Å; I211-T330 HydrophobicContact CG2-CG2 3.96Å; I211-I337 HydrophobicContact CD1-CD1 3.86Å; I211-I337 HydrophobicContact CG2-CD1 4.1Å
212	P	96.2	Very high	93.9	Very high	62 Å²	62	56.3 Å²	56.3	40%	0.403	29%	0.293	S	S	.	.			trans	-64.4	127.9	174.9	-18.9	32.8	0	0	0	110.5	W210 S329 T330	W210-P212 WeakPolarHBondContact O-CD 3.34Å; P212-S329 CarbonylContact O-C 3.38Å; P212-S329 VanDerWaalsContact O-CA 3.23Å; P212-S329 WeakPolarHBondContact O-CA 3.42Å; P212-S329 VanDerWaalsContact O-CB 3.31Å; P212-S329 WeakPolarHBondContact O-CB 3.44Å; P212-T330 PolarHBondContact O-N 3.07Å; P212-T330 PolarHBondContact O-OG1 2.76Å
213	N	94	Very high	94.1	Very high	39 Å²	39	53.5 Å²	53.5	21%	0.209	28%	0.278	C	S	.	.	B	Isolated β-bridge	trans	-131.7	133.9	-176.3	-176.9	19.5	0	0	0	111.5	I211 H215 G218 L222 T330	I211-N213 PolarHBondContact O-N 2.98Å; N213-H215 WeakPolarHBondContact OD1-CB 3.44Å; N213-H215 PolarHBondContact OD1-N 2.83Å; N213-G218 PolarHBondContact ND2-O 3.47Å; N213-L222 HydrophobicContact CB-CD1 4.15Å; N213-T330 WeakPolarHBondContact CA-OG1 3.48Å; N213-T330 WeakPolarHBondContact CB-OG1 3.43Å; N213-T330 PolarHBondContact OD1-OG1 2.78Å; N213-T330 VanDerWaalsContact OD1-OG1 3.1Å
214	K	92.7	Very high	94.3	Very high	152 Å²	152	47 Å²	47	66%	0.661	25%	0.248	S	C	*	.			trans	-104.3	-3.4	175.7	-67.7	179.2	-179.8	166.8	0	113.8	S329 T330	K214-S329 VanDerWaalsContact CD-OG 3.3Å; K214-S329 WeakPolarHBondContact CD-OG 3.37Å; K214-S329 WeakPolarHBondContact CE-OG 3.37Å; K214-S329 PolarHBondContact NZ-OG 2.7Å; K214-T330 PolarHBondContact N-O 3.45Å
215	H	90.6	Very high	94.4	Very high	36 Å²	36	46 Å²	46	17%	0.167	24%	0.242	C	C	.	.	S	Bend	trans	-65.8	143.7	-179.4	-167	-105	0	0	0	111.3	N213 S217 G218 S331 A333	N213-H215 WeakPolarHBondContact OD1-CB 3.44Å; N213-H215 PolarHBondContact OD1-N 2.83Å; H215-S217 PolarHBondContact CE1-OG 2.95Å; H215-S217 WeakPolarHBondContact ND1-CB 3.23Å; H215-S217 PolarHBondContact ND1-N 2.83Å; H215-S217 PolarHBondContact ND1-OG 3.21Å; H215-S217 VanDerWaalsContact ND1-OG 3.16Å; H215-S217 PolarHBondContact O-N 3.13Å; H215-S217 VanDerWaalsContact O-N 3.15Å; H215-G218 PolarHBondContact O-N 3.13Å; H215-S331 PolarHBondContact CD2-O 2.82Å; H215-A333 HydrophobicContact CB-CB 3.82Å
216	Y	87.8	Confident	94.6	Very high	122 Å²	122	43 Å²	43	48%	0.478	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-21.9	-175.7	59.3	-97.4	0	0	0	113.7	G218 P384	Y216-G218 PolarHBondContact O-N 3.49Å; Y216-P384 HydrophobicContact CD1-CB 4.41Å; Y216-P384 HydrophobicContact CD1-CG 3.77Å; Y216-P384 HydrophobicContact CE1-CB 4.48Å; Y216-P384 HydrophobicContact CE1-CG 3.72Å
217	S	86.4	Confident	94.7	Very high	50 Å²	50	39.2 Å²	39.2	35%	0.35	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.3	-3.2	173.8	-47.9	0	0	0	0	113.8	H215	H215-S217 PolarHBondContact CE1-OG 2.95Å; H215-S217 WeakPolarHBondContact ND1-CB 3.23Å; H215-S217 PolarHBondContact ND1-N 2.83Å; H215-S217 PolarHBondContact ND1-OG 3.21Å; H215-S217 VanDerWaalsContact ND1-OG 3.16Å; H215-S217 PolarHBondContact O-N 3.13Å; H215-S217 VanDerWaalsContact O-N 3.15Å
218	G	91.9	Very high	94.8	Very high	30 Å²	30	38 Å²	38	31%	0.309	20%	0.199	S	C	.	.	G	3₁₀ helix	trans	58.5	-146.9	-179.9	0	0	0	0	0	113	N213 H215 Y216 Y220 G221	N213-G218 PolarHBondContact ND2-O 3.47Å; H215-G218 PolarHBondContact O-N 3.13Å; Y216-G218 PolarHBondContact O-N 3.49Å; G218-Y220 VanDerWaalsContact C-N 3.25Å; G218-Y220 PolarHBondContact O-N 2.79Å; G218-G221 PolarHBondContact O-N 2.79Å
219	I	93.6	Very high	94.7	Very high	49 Å²	49	42.9 Å²	42.9	25%	0.251	22%	0.22	S	C	.	.	G	3₁₀ helix	trans	-61.1	-32.4	-176.9	-165.7	168.9	0	0	0	113	K205 V208 G221 L222 M223	K205-I219 HydrophobicContact CB-CD1 4.1Å; K205-I219 HydrophobicContact CG-CD1 4.08Å; V208-I219 HydrophobicContact CG2-CD1 4.33Å; V208-I219 HydrophobicContact CG2-CG1 3.93Å; I219-G221 PolarHBondContact O-N 3.24Å; I219-L222 WeakPolarHBondContact O-CB 3.42Å; I219-L222 PolarHBondContact O-N 3.08Å; I219-M223 HydrophobicContact CD1-CE 4.41Å; I219-M223 HydrophobicContact CG1-CE 3.94Å
220	Y	93.9	Very high	94.8	Very high	54 Å²	54	40.4 Å²	40.4	21%	0.212	20%	0.202	C	C	.	.	G	3₁₀ helix	trans	-64.9	-27.6	-178.9	-57	-72	0	0	0	112.4	A145 D175 A201 K205 G218 L222 M223	A145-Y220 HydrophobicContact CB-CD1 3.46Å; A145-Y220 VanDerWaalsContact CB-CD1 3.46Å; A145-Y220 HydrophobicContact CB-CD2 3.71Å; A145-Y220 HydrophobicContact CB-CE1 3.56Å; A145-Y220 HydrophobicContact CB-CE2 3.83Å; A145-Y220 HydrophobicContact CB-CG 3.52Å; D175-Y220 HydrophobicContact CB-CE1 4.42Å; A201-Y220 HydrophobicContact CB-CD1 4.09Å; A201-Y220 HydrophobicContact CB-CE1 3.84Å; K205-Y220 VanDerWaalsContact CE-OH 3.32Å; K205-Y220 WeakPolarHBondContact CE-OH 3.45Å; K205-Y220 PolarHBondContact NZ-OH 3.47Å; K205-Y220 VanDerWaalsContact NZ-OH 3.1Å; G218-Y220 VanDerWaalsContact C-N 3.25Å; G218-Y220 PolarHBondContact O-N 2.79Å; Y220-L222 PolarHBondContact O-N 2.79Å; Y220-L222 VanDerWaalsContact O-N 3.08Å; Y220-M223 WeakPolarHBondContact O-CB 3.21Å; Y220-M223 WeakPolarHBondContact O-CG 3.34Å; Y220-M223 PolarHBondContact O-N 3.49Å; Y220-M223 VanDerWaalsContact O-N 3.08Å
221	G	93.9	Very high	94.9	Very high	11 Å²	11	36.3 Å²	36.3	11%	0.113	19%	0.186	C	C	.	.	G	3₁₀ helix	trans	-61	-15.9	172.8	0	0	0	0	0	114.3	G218 I219 A333 D334	G218-G221 PolarHBondContact O-N 2.79Å; I219-G221 PolarHBondContact O-N 3.24Å; G221-A333 WeakPolarHBondContact O-CB 3.31Å; G221-D334 VanDerWaalsContact O-CB 3.28Å; G221-D334 WeakPolarHBondContact O-CB 3.5Å; G221-D334 VanDerWaalsContact O-CG 3.28Å; G221-D334 PolarHBondContact O-N 2.88Å; G221-D334 VanDerWaalsContact O-OD1 3.1Å
222	L	97.2	Very high	94.9	Very high	1 Å²	1	38 Å²	38	1%	0.005	20%	0.198	C	C	.	.	G	3₁₀ helix	trans	-93.7	-11.1	177.9	-63.1	166.5	0	0	0	113.1	V208 I211 N213 I219 Y220 K224 L225 A333 I337	V208-L222 HydrophobicContact CB-CB 3.96Å; V208-L222 HydrophobicContact CB-CD1 4.3Å; V208-L222 HydrophobicContact CG1-CB 4.26Å; V208-L222 HydrophobicContact CG2-CB 4.07Å; I211-L222 HydrophobicContact CB-CD1 3.96Å; I211-L222 HydrophobicContact CD1-CD1 4.41Å; I211-L222 HydrophobicContact CG2-CD1 4.2Å; I211-L222 HydrophobicContact CG2-CD2 4.28Å; N213-L222 HydrophobicContact CB-CD1 4.15Å; I219-L222 WeakPolarHBondContact O-CB 3.42Å; I219-L222 PolarHBondContact O-N 3.08Å; Y220-L222 PolarHBondContact O-N 2.79Å; Y220-L222 VanDerWaalsContact O-N 3.08Å; L222-K224 PolarHBondContact O-N 3.48Å; L222-K224 VanDerWaalsContact O-N 3.15Å; L222-L225 HydrophobicContact CB-CD1 4.43Å; L222-L225 HydrophobicContact CD2-CD1 4.25Å; L222-L225 VanDerWaalsContact O-CB 3.32Å; L222-L225 WeakPolarHBondContact O-CB 3.45Å; L222-L225 WeakPolarHBondContact O-CG 3.36Å; L222-L225 PolarHBondContact O-N 2.99Å; L222-A333 HydrophobicContact CD2-CB 4.25Å; L222-I337 HydrophobicContact CD2-CD1 4.31Å
223	M	96.9	Very high	94.9	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	21%	0.214	C	C	.	.	G	3₁₀ helix	trans	-69.3	-16.4	-168.6	-64.8	-62.9	167.2	0	0	114.1	V143 I173 L204 K205 V208 I219 Y220 L225 V226	V143-M223 HydrophobicContact CG1-CB 3.93Å; V143-M223 HydrophobicContact CG1-CG 4.38Å; V143-M223 HydrophobicContact CG2-CB 3.91Å; I173-M223 HydrophobicContact CG2-CB 4.42Å; L204-M223 HydrophobicContact CB-SD 3.9Å; K205-M223 HydrophobicContact CG-CE 4.13Å; V208-M223 HydrophobicContact CG2-CE 3.45Å; V208-M223 VanDerWaalsContact CG2-CE 3.45Å; V208-M223 HydrophobicContact CG2-SD 3.86Å; I219-M223 HydrophobicContact CD1-CE 4.41Å; I219-M223 HydrophobicContact CG1-CE 3.94Å; Y220-M223 WeakPolarHBondContact O-CB 3.21Å; Y220-M223 WeakPolarHBondContact O-CG 3.34Å; Y220-M223 PolarHBondContact O-N 3.49Å; Y220-M223 VanDerWaalsContact O-N 3.08Å; M223-L225 PolarHBondContact O-N 3.45Å; M223-V226 WeakPolarHBondContact O-CG2 3.49Å; M223-V226 PolarHBondContact O-N 3.25Å; M223-V226 HydrophobicContact SD-CG2 4.32Å
224	K	97.9	Very high	95	Very high	7 Å²	7	43.9 Å²	43.9	3%	0.03	24%	0.238	C	C	.	.	G	3₁₀ helix	trans	-63.9	-22.7	172.8	-56.3	-170	-152.9	148.4	0	112.4	V143 L222 V226 L227 V240 D242 T297 I300 D334 F338	V143-K224 HydrophobicContact CG2-CG 3.96Å; L222-K224 PolarHBondContact O-N 3.48Å; L222-K224 VanDerWaalsContact O-N 3.15Å; K224-V226 VanDerWaalsContact C-N 3.28Å; K224-V226 PolarHBondContact O-N 3.01Å; K224-L227 HydrophobicContact CB-CD1 4.14Å; K224-L227 WeakPolarHBondContact O-CD1 3.06Å; K224-L227 WeakPolarHBondContact O-CG 3.46Å; K224-V240 HydrophobicContact CD-CG1 3.85Å; K224-V240 HydrophobicContact CG-CG1 4.19Å; K224-D242 WeakPolarHBondContact CE-OD1 3.27Å; K224-D242 VanDerWaalsContact NZ-CG 3.28Å; K224-D242 IonicContact NZ-OD1 3.88Å; K224-D242 PolarHBondContact NZ-OD1 3.45Å; K224-D242 IonicContact NZ-OD2 3.85Å; K224-D242 PolarHBondContact NZ-OD2 3.35Å; K224-T297 PolarHBondContact NZ-O 2.87Å; K224-I300 HydrophobicContact CD-CD1 4.08Å; K224-D334 HydrophobicContact CB-CB 4.4Å; K224-D334 WeakPolarHBondContact CB-OD2 3.29Å; K224-D334 VanDerWaalsContact CD-OD2 3.26Å; K224-D334 WeakPolarHBondContact CD-OD2 3.22Å; K224-D334 IonicContact NZ-OD2 3.91Å; K224-F338 HydrophobicContact CB-CE2 4.31Å
225	L	98.1	Very high	95.3	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	21%	0.211	C	C	.	.	G	3₁₀ helix	trans	-66.6	-28.4	178.3	-64.1	170.1	0	0	0	113.1	I211 L222 M223 W312 W316 D334 I337 F338	I211-L225 HydrophobicContact CD1-CD1 4.3Å; L222-L225 HydrophobicContact CB-CD1 4.43Å; L222-L225 HydrophobicContact CD2-CD1 4.25Å; L222-L225 VanDerWaalsContact O-CB 3.32Å; L222-L225 WeakPolarHBondContact O-CB 3.45Å; L222-L225 WeakPolarHBondContact O-CG 3.36Å; L222-L225 PolarHBondContact O-N 2.99Å; M223-L225 PolarHBondContact O-N 3.45Å; L225-W312 PolarHBondContact O-NE1 3.4Å; L225-W316 HydrophobicContact CB-CD2 4.18Å; L225-W316 HydrophobicContact CB-CZ2 4.3Å; L225-W316 HydrophobicContact CD1-CD2 4.47Å; L225-W316 HydrophobicContact CD1-CE3 4.1Å; L225-W316 HydrophobicContact CD1-CZ3 4.24Å; L225-W316 HydrophobicContact CD2-CB 4.5Å; L225-W316 HydrophobicContact CD2-CD2 4.48Å; L225-W316 HydrophobicContact CD2-CG 4.38Å; L225-W316 PolarHBondContact O-NE1 3.27Å; L225-W316 VanDerWaalsContact O-NE1 3.15Å; L225-D334 HydrophobicContact CD2-CB 4.34Å; L225-D334 HydrophobicContact CG-CB 4.04Å; L225-I337 HydrophobicContact CD1-CB 4.32Å; L225-I337 HydrophobicContact CD1-CD1 3.63Å; L225-I337 HydrophobicContact CD1-CG2 4.27Å; L225-I337 HydrophobicContact CD2-CB 4.04Å; L225-I337 HydrophobicContact CD2-CG2 3.72Å; L225-F338 HydrophobicContact CD2-CD2 3.93Å; L225-F338 HydrophobicContact CD2-CE2 3.85Å
226	V	97.6	Very high	95.6	Very high	3 Å²	3	41.6 Å²	41.6	2%	0.018	23%	0.23	C	C	.	.	G	3₁₀ helix	trans	-98.5	2.4	-173.4	-62.6	0	0	0	0	113.8	L204 E207 V208 M223 K224 T228 K229 T230 W316	L204-V226 HydrophobicContact CB-CG2 4.42Å; L204-V226 HydrophobicContact CD1-CG2 4.26Å; E207-V226 HydrophobicContact CB-CG1 3.86Å; V208-V226 HydrophobicContact CG1-CG1 3.83Å; M223-V226 WeakPolarHBondContact O-CG2 3.49Å; M223-V226 PolarHBondContact O-N 3.25Å; M223-V226 HydrophobicContact SD-CG2 4.32Å; K224-V226 VanDerWaalsContact C-N 3.28Å; K224-V226 PolarHBondContact O-N 3.01Å; V226-T228 PolarHBondContact O-N 2.89Å; V226-T228 VanDerWaalsContact O-N 3.08Å; V226-K229 PolarHBondContact O-N 2.99Å; V226-T230 PolarHBondContact O-N 3.31Å; V226-T230 PolarHBondContact O-OG1 2.82Å; V226-T230 VanDerWaalsContact O-OG1 3.12Å; V226-W316 HydrophobicContact CG1-CZ2 4.13Å
227	L	98.1	Very high	96.1	Very high	1 Å²	1	38.4 Å²	38.4	1%	0.005	22%	0.218	C	C	.	.	H	α-helix	trans	-53.6	-35.1	-177	-75	169.1	0	0	0	114.2	A141 I173 K224 K229 T230 L231 V240 L302	A141-L227 HydrophobicContact CB-CD2 4.04Å; I173-L227 HydrophobicContact CD1-CD2 3.44Å; I173-L227 VanDerWaalsContact CD1-CD2 3.44Å; I173-L227 HydrophobicContact CD1-CG 4.35Å; I173-L227 HydrophobicContact CG1-CD2 4.42Å; K224-L227 HydrophobicContact CB-CD1 4.14Å; K224-L227 WeakPolarHBondContact O-CD1 3.06Å; K224-L227 WeakPolarHBondContact O-CG 3.46Å; L227-K229 PolarHBondContact O-N 3.32Å; L227-T230 PolarHBondContact O-N 2.82Å; L227-L231 HydrophobicContact CB-CD1 4.27Å; L227-L231 HydrophobicContact CD2-CD1 3.98Å; L227-L231 HydrophobicContact CD2-CD2 4.45Å; L227-L231 HydrophobicContact CD2-CG 4.1Å; L227-L231 WeakPolarHBondContact O-CB 3.04Å; L227-L231 WeakPolarHBondContact O-CG 3.27Å; L227-L231 PolarHBondContact O-N 3.3Å; L227-V240 HydrophobicContact CD1-CB 4.31Å; L227-V240 HydrophobicContact CD1-CG1 3.72Å; L227-V240 HydrophobicContact CD1-CG2 3.55Å; L227-L302 HydrophobicContact CB-CD1 4.38Å; L227-L302 HydrophobicContact CD1-CD1 3.88Å
228	T	97.4	Very high	96.7	Very high	12 Å²	12	36 Å²	36	7%	0.074	20%	0.201	C	C	.	.	H	α-helix	trans	-64.4	-28.7	178.7	54.4	0	0	0	0	113.2	V226 L304 L307 R308 W312	V226-T228 PolarHBondContact O-N 2.89Å; V226-T228 VanDerWaalsContact O-N 3.08Å; T228-L304 HydrophobicContact CG2-CD2 4.04Å; T228-L307 HydrophobicContact CG2-CB 3.76Å; T228-L307 HydrophobicContact CG2-CD1 4.24Å; T228-R308 PolarHBondContact O-NE 3.2Å; T228-R308 PolarHBondContact O-NH2 3.29Å; T228-W312 HydrophobicContact CG2-CB 4.22Å; T228-W312 HydrophobicContact CG2-CG 4.13Å
229	K	95.2	Very high	97	Very high	102 Å²	102	34.6 Å²	34.6	44%	0.443	19%	0.186	S	C	.	.	H	α-helix	trans	-89.9	-37.8	177.1	177.2	179	178.8	173.3	0	111.4	E207 V226 L227 E313	E207-K229 IonicContact OE1-NZ 3.95Å; E207-K229 PolarHBondContact OE1-NZ 3.19Å; E207-K229 IonicContact OE2-NZ 2.72Å; E207-K229 PolarHBondContact OE2-NZ 2.59Å; V226-K229 PolarHBondContact O-N 2.99Å; L227-K229 PolarHBondContact O-N 3.32Å; K229-E313 IonicContact NZ-OE1 3.6Å
230	T	97.2	Very high	97.3	Very high	21 Å²	21	32.3 Å²	32.3	13%	0.129	18%	0.175	C	C	.	.	H	α-helix	trans	-72.7	-45.3	-177	-54.5	0	0	0	0	113	I173 Y199 L204 V226 L227	I173-T230 HydrophobicContact CD1-CG2 4Å; I173-T230 HydrophobicContact CG1-CG2 4.12Å; Y199-T230 HydrophobicContact CD1-CG2 3.71Å; Y199-T230 WeakPolarHBondContact CD1-O 3.37Å; Y199-T230 WeakPolarHBondContact CE1-O 3.34Å; Y199-T230 HydrophobicContact CG-CG2 3.73Å; L204-T230 HydrophobicContact CD1-CG2 3.66Å; L204-T230 WeakPolarHBondContact CD1-OG1 3.38Å; L204-T230 HydrophobicContact CD2-CG2 4.5Å; L204-T230 WeakPolarHBondContact CD2-OG1 3.29Å; V226-T230 PolarHBondContact O-N 3.31Å; V226-T230 PolarHBondContact O-OG1 2.82Å; V226-T230 VanDerWaalsContact O-OG1 3.12Å; L227-T230 PolarHBondContact O-N 2.82Å
231	L	98.3	Very high	97.5	Very high	5 Å²	5	29.8 Å²	29.8	3%	0.026	17%	0.165	C	C	.	.	S	Bend	trans	-77.6	155.3	-173.9	-62.6	179.5	0	0	0	112	A141 H171 Y199 L227 A233 L235 V238 L304 R308	A141-L231 HydrophobicContact CB-CD1 4.2Å; H171-L231 HydrophobicContact CB-CD2 3.54Å; Y199-L231 HydrophobicContact CD2-CD2 4.38Å; Y199-L231 HydrophobicContact CE2-CD2 3.95Å; L227-L231 HydrophobicContact CB-CD1 4.27Å; L227-L231 HydrophobicContact CD2-CD1 3.98Å; L227-L231 HydrophobicContact CD2-CD2 4.45Å; L227-L231 HydrophobicContact CD2-CG 4.1Å; L227-L231 WeakPolarHBondContact O-CB 3.04Å; L227-L231 WeakPolarHBondContact O-CG 3.27Å; L227-L231 PolarHBondContact O-N 3.3Å; L231-A233 PolarHBondContact O-N 3.19Å; L231-L235 HydrophobicContact CB-CD2 4.28Å; L231-L235 HydrophobicContact CD1-CD2 4.19Å; L231-V238 HydrophobicContact CD1-CB 4.43Å; L231-V238 HydrophobicContact CD1-CG1 3.93Å; L231-V238 HydrophobicContact CD1-CG2 4.31Å; L231-L304 HydrophobicContact CB-CD1 4.26Å; L231-L304 HydrophobicContact CD1-CD1 3.81Å; L231-L304 HydrophobicContact CD1-CD2 4.36Å; L231-R308 PolarHBondContact O-NH2 3.02Å
232	P	97.9	Very high	97.7	Very high	41 Å²	41	31.1 Å²	31.1	27%	0.266	17%	0.169	S	C	.	.			trans	-53	137.9	-174.3	-26.9	35.9	0	0	0	112.8	Y199 N234 L235 R308	Y199-P232 VanDerWaalsContact OH-CD 3.3Å; Y199-P232 WeakPolarHBondContact OH-CD 3.39Å; Y199-P232 WeakPolarHBondContact OH-CG 3.49Å; P232-N234 VanDerWaalsContact CB-OD1 3.24Å; P232-N234 WeakPolarHBondContact CB-OD1 3.29Å; P232-N234 PolarHBondContact O-N 3.36Å; P232-N234 VanDerWaalsContact O-N 3.16Å; P232-L235 HydrophobicContact CB-CB 4.31Å; P232-L235 WeakPolarHBondContact O-CB 3.17Å; P232-L235 PolarHBondContact O-N 2.92Å; P232-R308 PolarHBondContact O-NH1 3.16Å; P232-R308 PolarHBondContact O-NH2 3.29Å
233	A	96.3	Very high	97.7	Very high	90 Å²	90	32.3 Å²	32.3	74%	0.744	18%	0.177	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.5	-27.1	-173.9	0	0	0	0	0	113.7	L231 R308	L231-A233 PolarHBondContact O-N 3.19Å; A233-R308 PolarHBondContact O-NH1 3.3Å
234	N	96.7	Very high	97.6	Very high	135 Å²	135	33 Å²	33	72%	0.722	18%	0.18	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.1	-10.9	176.3	65.3	-37.5	0	0	0	113.8	P232 E236	P232-N234 VanDerWaalsContact CB-OD1 3.24Å; P232-N234 WeakPolarHBondContact CB-OD1 3.29Å; P232-N234 PolarHBondContact O-N 3.36Å; P232-N234 VanDerWaalsContact O-N 3.16Å; N234-E236 PolarHBondContact O-N 2.97Å
235	L	98	Very high	97.6	Very high	15 Å²	15	32.7 Å²	32.7	8%	0.079	18%	0.179	C	C	.	.			trans	-73.7	117.5	176.5	-176.4	63.4	0	0	0	109.6	H139 L231 P232 V238 L304 R308	H139-L235 HydrophobicContact CB-CD1 3.99Å; H139-L235 HydrophobicContact CB-CD2 4.45Å; H139-L235 VanDerWaalsContact CG-CD1 3.44Å; H139-L235 WeakPolarHBondContact ND1-CD1 3.5Å; L231-L235 HydrophobicContact CB-CD2 4.28Å; L231-L235 HydrophobicContact CD1-CD2 4.19Å; P232-L235 HydrophobicContact CB-CB 4.31Å; P232-L235 WeakPolarHBondContact O-CB 3.17Å; P232-L235 PolarHBondContact O-N 2.92Å; L235-V238 HydrophobicContact CD2-CB 4.32Å; L235-L304 HydrophobicContact CB-CD1 4.18Å; L235-L304 HydrophobicContact CD2-CD1 3.73Å; L235-L304 HydrophobicContact CG-CD1 3.77Å; L235-L304 WeakPolarHBondContact O-CB 3.49Å; L235-R308 PolarHBondContact O-NH1 3.48Å
236	E	97.8	Very high	97.6	Very high	125 Å²	125	32.8 Å²	32.8	58%	0.584	18%	0.179	S	C	*	.			trans	-87.6	-36.5	-172.7	-61.9	-174.3	169	0	0	113.6	N234 L303 L304 D305	N234-E236 PolarHBondContact O-N 2.97Å; E236-L303 CarbonylContact O-C 3.54Å; E236-L304 PolarHBondContact O-N 3.28Å; E236-D305 HydrophobicContact CB-CB 4.43Å; E236-D305 HydrophobicContact CG-CB 4.47Å; E236-D305 PolarHBondContact O-N 2.92Å
237	R	98	Very high	97.6	Very high	55 Å²	55	32.6 Å²	32.6	21%	0.208	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	148.7	-175.2	56.3	179.3	170.4	-164.6	1.1	111.8	E136 W255 F258 H259 L302 L303	E136-R237 IonicContact OE1-CZ 3.51Å; E136-R237 IonicContact OE1-NE 2.98Å; E136-R237 IonicContact OE1-NH2 2.86Å; E136-R237 PolarHBondContact OE1-NH2 3.26Å; R237-W255 HydrophobicContact CB-CH2 4.48Å; R237-W255 HydrophobicContact CG-CH2 3.7Å; R237-W255 HydrophobicContact CG-CZ2 3.68Å; R237-W255 WeakPolarHBondContact O-CH2 3.46Å; R237-F258 HydrophobicContact CB-CD1 4.32Å; R237-F258 HydrophobicContact CB-CD2 4.37Å; R237-F258 HydrophobicContact CB-CE1 4Å; R237-F258 HydrophobicContact CB-CE2 4.07Å; R237-F258 HydrophobicContact CB-CG 4.49Å; R237-F258 HydrophobicContact CB-CZ 3.86Å; R237-F258 HydrophobicContact CG-CD2 4.49Å; R237-F258 HydrophobicContact CG-CE2 4.48Å; R237-H259 PolarHBondContact NH1-NE2 3.4Å; R237-L302 VanDerWaalsContact CA-O 3.23Å; R237-L302 WeakPolarHBondContact CA-O 3.26Å; R237-L303 HydrophobicContact CB-CD2 3.85Å
238	V	98.7	Very high	97.5	Very high	0 Å²	0	34 Å²	34	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.7	144.5	-178.1	69.9	0	0	0	0	111.5	H139 A141 L231 L235 V240 F258 L302 L304	H139-V238 HydrophobicContact CB-CG2 4.1Å; H139-V238 WeakPolarHBondContact O-CG2 3.44Å; A141-V238 HydrophobicContact CB-CG2 3.7Å; L231-V238 HydrophobicContact CD1-CB 4.43Å; L231-V238 HydrophobicContact CD1-CG1 3.93Å; L231-V238 HydrophobicContact CD1-CG2 4.31Å; L235-V238 HydrophobicContact CD2-CB 4.32Å; V238-V240 HydrophobicContact CG1-CG2 4.25Å; V238-F258 WeakPolarHBondContact O-CZ 3.42Å; V238-L302 HydrophobicContact CG1-CB 3.94Å; V238-L302 HydrophobicContact CG1-CD1 4.3Å; V238-L302 PolarHBondContact N-O 3.36Å; V238-L302 PolarHBondContact O-N 3.45Å; V238-L304 HydrophobicContact CB-CD1 4.13Å; V238-L304 HydrophobicContact CG1-CD1 3.74Å; V238-L304 HydrophobicContact CG1-CD2 4.04Å; V238-L304 HydrophobicContact CG1-CG 3.91Å
239	I	98.9	Very high	97.4	Very high	0 Å²	0	34 Å²	34	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	126.6	166.9	-59.2	171.9	0	0	0	107.9	I138 H139 V140 A141 L241 I251 L254 W255 F258 I300 L301	I138-I239 HydrophobicContact CG2-CD1 4.09Å; H139-I239 PolarHBondContact O-N 2.97Å; V140-I239 CarbonylContact C-O 3.06Å; V140-I239 VanDerWaalsContact CA-O 3.28Å; V140-I239 WeakPolarHBondContact CA-O 3.25Å; A141-I239 PolarHBondContact N-O 3.45Å; I239-L241 HydrophobicContact CG2-CD1 4.45Å; I239-L241 HydrophobicContact CG2-CD2 3.71Å; I239-L241 HydrophobicContact CG2-CG 3.91Å; I239-I251 HydrophobicContact CD1-CD1 4.05Å; I239-I251 HydrophobicContact CD1-CG1 3.69Å; I239-L254 HydrophobicContact CD1-CB 4.39Å; I239-L254 HydrophobicContact CD1-CD2 4.21Å; I239-L254 HydrophobicContact CD1-CG 4.12Å; I239-L254 HydrophobicContact CG2-CD2 3.97Å; I239-W255 HydrophobicContact CD1-CB 4.23Å; I239-W255 HydrophobicContact CD1-CE3 3.74Å; I239-W255 HydrophobicContact CG1-CE3 3.71Å; I239-W255 HydrophobicContact CG1-CZ3 4.13Å; I239-F258 HydrophobicContact CG1-CE2 4.39Å; I239-I300 CarbonylContact C-O 3.55Å; I239-I300 WeakPolarHBondContact CA-O 3.33Å; I239-L301 HydrophobicContact CB-CD2 4.33Å; I239-L301 HydrophobicContact CD1-CD2 4.42Å; I239-L301 HydrophobicContact CG1-CD2 3.63Å; I239-L301 HydrophobicContact CG2-CD2 4.29Å
240	V	98.8	Very high	97.5	Very high	1 Å²	1	29.8 Å²	29.8	1%	0.006	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	130.6	174.4	-165.9	0	0	0	0	109.3	A141 K224 L227 V238 V299 I300 L302	A141-V240 HydrophobicContact CB-CG2 4.37Å; A141-V240 VanDerWaalsContact O-CA 3.31Å; A141-V240 WeakPolarHBondContact O-CA 3.29Å; K224-V240 HydrophobicContact CD-CG1 3.85Å; K224-V240 HydrophobicContact CG-CG1 4.19Å; L227-V240 HydrophobicContact CD1-CB 4.31Å; L227-V240 HydrophobicContact CD1-CG1 3.72Å; L227-V240 HydrophobicContact CD1-CG2 3.55Å; V238-V240 HydrophobicContact CG1-CG2 4.25Å; V240-V299 WeakPolarHBondContact O-CA 3.27Å; V240-I300 HydrophobicContact CB-CB 3.94Å; V240-I300 HydrophobicContact CB-CD1 4.28Å; V240-I300 HydrophobicContact CB-CG1 4.17Å; V240-I300 HydrophobicContact CG1-CD1 4.48Å; V240-I300 HydrophobicContact CG2-CB 4.19Å; V240-I300 PolarHBondContact N-O 3.48Å; V240-I300 PolarHBondContact O-N 2.96Å; V240-L302 HydrophobicContact CG2-CD1 3.46Å; V240-L302 VanDerWaalsContact CG2-CD1 3.46Å; V240-L302 HydrophobicContact CG2-CG 3.85Å
241	L	98.7	Very high	97.5	Very high	1 Å²	1	28.8 Å²	28.8	1%	0.005	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	141.5	-177.2	-58.1	173.8	0	0	0	111.5	V140 A141 I142 L156 I239 F247 I251 G298 V299	V140-L241 HydrophobicContact CG1-CD1 3.57Å; V140-L241 HydrophobicContact CG1-CG 4.1Å; A141-L241 PolarHBondContact O-N 3.47Å; I142-L241 HydrophobicContact CG1-CB 4.38Å; L156-L241 HydrophobicContact CD1-CD1 4.16Å; L156-L241 HydrophobicContact CD2-CB 4.1Å; L156-L241 HydrophobicContact CD2-CD1 4.33Å; I239-L241 HydrophobicContact CG2-CD1 4.45Å; I239-L241 HydrophobicContact CG2-CD2 3.71Å; I239-L241 HydrophobicContact CG2-CG 3.91Å; L241-F247 HydrophobicContact CD1-CE2 3.64Å; L241-F247 HydrophobicContact CD1-CZ 4.05Å; L241-F247 HydrophobicContact CD2-CE2 3.98Å; L241-F247 HydrophobicContact CD2-CZ 4.05Å; L241-F247 HydrophobicContact CG-CE2 4.48Å; L241-I251 HydrophobicContact CD1-CD1 4.38Å; L241-G298 WeakPolarHBondContact CA-O 3.4Å; L241-V299 HydrophobicContact CD2-CB 4.44Å; L241-V299 HydrophobicContact CD2-CG1 4.15Å; L241-V299 HydrophobicContact CD2-CG2 4.06Å
242	D	97.7	Very high	97.5	Very high	39 Å²	39	29 Å²	29	21%	0.209	17%	0.168	C	C	.	.			trans	-72.3	155.5	162.4	-83.3	-24.6	0	0	0	111.3	L156 K224 D244 I245 G298 H380	L156-D242 WeakPolarHBondContact CD2-O 3.35Å; K224-D242 WeakPolarHBondContact CE-OD1 3.27Å; K224-D242 VanDerWaalsContact NZ-CG 3.28Å; K224-D242 IonicContact NZ-OD1 3.88Å; K224-D242 PolarHBondContact NZ-OD1 3.45Å; K224-D242 IonicContact NZ-OD2 3.85Å; K224-D242 PolarHBondContact NZ-OD2 3.35Å; D242-D244 VanDerWaalsContact CB-OD1 3.27Å; D242-D244 WeakPolarHBondContact CB-OD1 3.43Å; D242-D244 PolarHBondContact O-N 3.4Å; D242-I245 HydrophobicContact CB-CG1 4.08Å; D242-I245 WeakPolarHBondContact O-CB 3.36Å; D242-I245 VanDerWaalsContact O-CG1 3.23Å; D242-I245 WeakPolarHBondContact O-CG1 3.45Å; D242-I245 PolarHBondContact O-N 3.34Å; D242-G298 PolarHBondContact N-O 2.87Å; D242-G298 WeakPolarHBondContact OD2-CA 3.24Å; D242-H380 IonicContact OD2-CE1 2.73Å; D242-H380 IonicContact OD2-NE2 3.62Å
243	T	97	Very high	97.4	Very high	26 Å²	26	30.3 Å²	30.3	16%	0.16	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.1	-14.3	-176.3	56	0	0	0	0	114.2	I142 V143 C144 V153	I142-T243 HydrophobicContact CG2-CG2 3.79Å; V143-T243 WeakPolarHBondContact O-CG2 3.48Å; C144-T243 HydrophobicContact CB-CG2 4.12Å; V153-T243 HydrophobicContact CB-CG2 4.05Å; V153-T243 HydrophobicContact CG2-CG2 4.21Å
244	D	95.6	Very high	97.4	Very high	14 Å²	14	26 Å²	26	8%	0.075	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.4	23.2	-177	63.4	-5.4	0	0	0	113	D242 H380 W381 K386	D242-D244 VanDerWaalsContact CB-OD1 3.27Å; D242-D244 WeakPolarHBondContact CB-OD1 3.43Å; D242-D244 PolarHBondContact O-N 3.4Å; D244-H380 IonicContact OD1-CD2 2.69Å; D244-H380 PolarHBondContact OD1-CD2 3.43Å; D244-H380 IonicContact OD1-NE2 3.07Å; D244-H380 PolarHBondContact OD1-NE2 3.37Å; D244-H380 IonicContact OD2-CD2 3.93Å; D244-H380 IonicContact OD2-NE2 3.24Å; D244-W381 HydrophobicContact CB-CB 4.3Å; D244-W381 PolarHBondContact O-N 2.85Å; D244-K386 HydrophobicContact CB-CD 4.41Å; D244-K386 IonicContact OD2-NZ 3.9Å; D244-K386 PolarHBondContact OD2-NZ 2.72Å
245	I	97.6	Very high	97.5	Very high	1 Å²	1	19.8 Å²	19.8	1%	0.005	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	147.7	173.8	-63.8	-67.5	0	0	0	110.5	L156 D242 F247 V299 V378 I379 H380	L156-I245 WeakPolarHBondContact CA-O 3.4Å; L156-I245 WeakPolarHBondContact CB-O 3.2Å; L156-I245 HydrophobicContact CD1-CB 3.85Å; L156-I245 HydrophobicContact CD1-CG2 3.85Å; L156-I245 WeakPolarHBondContact CD1-O 3.33Å; D242-I245 HydrophobicContact CB-CG1 4.08Å; D242-I245 WeakPolarHBondContact O-CB 3.36Å; D242-I245 VanDerWaalsContact O-CG1 3.23Å; D242-I245 WeakPolarHBondContact O-CG1 3.45Å; D242-I245 PolarHBondContact O-N 3.34Å; I245-F247 HydrophobicContact CG2-CD2 3.94Å; I245-F247 HydrophobicContact CG2-CE2 3.76Å; I245-V299 HydrophobicContact CD1-CG2 3.85Å; I245-V378 HydrophobicContact CD1-CG1 4.36Å; I245-V378 HydrophobicContact CG2-CG1 3.3Å; I245-I379 CarbonylContact C-O 3.54Å; I245-I379 WeakPolarHBondContact CA-O 3.42Å; I245-H380 HydrophobicContact CD1-CB 3.41Å; I245-H380 VanDerWaalsContact CD1-CB 3.41Å
246	T	97.5	Very high	97.5	Very high	1 Å²	1	19.7 Å²	19.7	1%	0.006	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	123.4	171.1	-54.8	0	0	0	0	109.8	I379 F404	T246-I379 PolarHBondContact N-O 3.5Å; T246-I379 PolarHBondContact O-N 3.46Å; T246-F404 HydrophobicContact CG2-CD2 3.55Å; T246-F404 HydrophobicContact CG2-CE2 3.92Å
247	F	98	Very high	97.5	Very high	0 Å²	0	14 Å²	14	0%	0	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	139.5	175.2	-84	-108.3	0	0	0	110.7	L156 S159 V160 L241 I245 I251 L254 V378 F404	L156-F247 HydrophobicContact CD1-CD2 3.95Å; L156-F247 HydrophobicContact CD1-CE2 4.13Å; S159-F247 PolarHBondContact OG-N 2.99Å; V160-F247 HydrophobicContact CG2-CB 4.36Å; V160-F247 HydrophobicContact CG2-CD2 3.48Å; V160-F247 VanDerWaalsContact CG2-CD2 3.48Å; V160-F247 HydrophobicContact CG2-CE2 3.89Å; V160-F247 HydrophobicContact CG2-CG 3.89Å; L241-F247 HydrophobicContact CD1-CE2 3.64Å; L241-F247 HydrophobicContact CD1-CZ 4.05Å; L241-F247 HydrophobicContact CD2-CE2 3.98Å; L241-F247 HydrophobicContact CD2-CZ 4.05Å; L241-F247 HydrophobicContact CG-CE2 4.48Å; I245-F247 HydrophobicContact CG2-CD2 3.94Å; I245-F247 HydrophobicContact CG2-CE2 3.76Å; F247-I251 HydrophobicContact CD1-CB 4.19Å; F247-I251 HydrophobicContact CE1-CB 3.82Å; F247-I251 HydrophobicContact CE1-CD1 4.12Å; F247-I251 HydrophobicContact CE1-CG1 3.69Å; F247-I251 HydrophobicContact CZ-CB 4.47Å; F247-I251 HydrophobicContact CZ-CD1 3.89Å; F247-I251 HydrophobicContact CZ-CG1 3.94Å; F247-L254 HydrophobicContact CE1-CD2 4.27Å; F247-L254 HydrophobicContact CZ-CD2 4.09Å; F247-V378 HydrophobicContact CD1-CG2 3.89Å; F247-V378 HydrophobicContact CD2-CG2 4.46Å; F247-V378 HydrophobicContact CE1-CG2 3.67Å; F247-V378 HydrophobicContact CE2-CG1 4.29Å; F247-V378 HydrophobicContact CE2-CG2 4.26Å; F247-V378 HydrophobicContact CG-CG2 4.28Å; F247-V378 HydrophobicContact CZ-CG2 3.87Å; F247-F404 WeakPolarHBondContact O-CE2 3.24Å
248	A	96.4	Very high	97.5	Very high	29 Å²	29	11.8 Å²	11.8	24%	0.24	7%	0.069	C	C	.	.	S	Bend	trans	-114.7	6.1	172	0	0	0	0	0	112.2	H163 K377 I379 L400	H163-A248 VanDerWaalsContact NE2-C 3.34Å; A248-K377 PolarHBondContact N-O 2.94Å; A248-I379 HydrophobicContact CB-CD1 4Å; A248-L400 HydrophobicContact CB-CD2 4.23Å
249	T	95.8	Very high	97.3	Very high	13 Å²	13	16.2 Å²	16.2	8%	0.08	9%	0.089	C	C	.	.	S	Bend	trans	-151.5	170.7	-171.6	-147.9	0	0	0	0	109.7	H163 I251 E253 W356 K377	H163-T249 VanDerWaalsContact CB-C 3.44Å; H163-T249 WeakPolarHBondContact CB-O 3.24Å; T249-I251 PolarHBondContact O-N 3.02Å; T249-E253 PolarHBondContact OG1-OE1 2.98Å; T249-W356 HydrophobicContact CG2-CH2 4.02Å; T249-W356 HydrophobicContact CG2-CZ3 3.78Å; T249-K377 HydrophobicContact CG2-CB 3.92Å; T249-K377 HydrophobicContact CG2-CD 3.52Å; T249-K377 HydrophobicContact CG2-CG 4.32Å; T249-K377 WeakPolarHBondContact OG1-CD 3.44Å; T249-K377 PolarHBondContact OG1-NZ 3.26Å
250	D	96.2	Very high	97.2	Very high	14 Å²	14	21 Å²	21	8%	0.075	11%	0.11	C	C	.	.			trans	-67.6	129.9	175.1	-171	-3.5	0	0	0	111.5	H163 R165 A252 E253	H163-D250 WeakPolarHBondContact O-CB 3.37Å; R165-D250 VanDerWaalsContact CB-OD2 3.29Å; R165-D250 WeakPolarHBondContact CB-OD2 3.33Å; R165-D250 VanDerWaalsContact CD-OD2 3.24Å; R165-D250 WeakPolarHBondContact CD-OD2 3.42Å; R165-D250 WeakPolarHBondContact CG-OD2 3.36Å; R165-D250 IonicContact NE-OD2 3.64Å; D250-A252 PolarHBondContact O-N 3.07Å; D250-A252 PolarHBondContact OD1-N 3.01Å; D250-E253 WeakPolarHBondContact O-CB 3.11Å; D250-E253 PolarHBondContact O-N 3.43Å; D250-E253 VanDerWaalsContact O-N 3.14Å
251	I	97.7	Very high	97.1	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-62.8	-22.5	176.6	-168	165.7	0	0	0	112.5	I138 V140 V160 L168 I239 L241 F247 T249 E253 L254 W255	I138-I251 HydrophobicContact CD1-CG2 4.03Å; I138-I251 HydrophobicContact CG2-CD1 4.49Å; I138-I251 HydrophobicContact CG2-CG1 4.38Å; I138-I251 HydrophobicContact CG2-CG2 4.37Å; V140-I251 HydrophobicContact CG2-CD1 3.64Å; V160-I251 HydrophobicContact CG1-CB 4.3Å; V160-I251 HydrophobicContact CG1-CD1 4.02Å; V160-I251 HydrophobicContact CG1-CG2 4.01Å; V160-I251 HydrophobicContact CG2-CD1 4.38Å; L168-I251 HydrophobicContact CD2-CG2 3.89Å; I239-I251 HydrophobicContact CD1-CD1 4.05Å; I239-I251 HydrophobicContact CD1-CG1 3.69Å; L241-I251 HydrophobicContact CD1-CD1 4.38Å; F247-I251 HydrophobicContact CD1-CB 4.19Å; F247-I251 HydrophobicContact CE1-CB 3.82Å; F247-I251 HydrophobicContact CE1-CD1 4.12Å; F247-I251 HydrophobicContact CE1-CG1 3.69Å; F247-I251 HydrophobicContact CZ-CB 4.47Å; F247-I251 HydrophobicContact CZ-CD1 3.89Å; F247-I251 HydrophobicContact CZ-CG1 3.94Å; T249-I251 PolarHBondContact O-N 3.02Å; I251-E253 PolarHBondContact O-N 2.97Å; I251-L254 WeakPolarHBondContact O-CB 3.43Å; I251-L254 PolarHBondContact O-N 3.04Å; I251-L254 VanDerWaalsContact O-N 3.07Å; I251-W255 PolarHBondContact O-N 2.96Å
252	A	97.1	Very high	96.9	Very high	9 Å²	9	29.6 Å²	29.6	7%	0.074	15%	0.147	C	C	.	.	H	α-helix	trans	-59.2	-33.4	173.6	0	0	0	0	0	112.9	V132 I138 N166 D250 L254 W255 A256	V132-A252 HydrophobicContact CB-CB 4.35Å; V132-A252 HydrophobicContact CG2-CB 4.2Å; V132-A252 VanDerWaalsContact CG2-O 3.3Å; V132-A252 WeakPolarHBondContact CG2-O 3.27Å; I138-A252 VanDerWaalsContact CD1-CA 3.47Å; I138-A252 HydrophobicContact CD1-CB 3.71Å; N166-A252 WeakPolarHBondContact OD1-CB 3.38Å; D250-A252 PolarHBondContact O-N 3.07Å; D250-A252 PolarHBondContact OD1-N 3.01Å; A252-L254 VanDerWaalsContact C-N 3.28Å; A252-L254 PolarHBondContact O-N 3.41Å; A252-W255 WeakPolarHBondContact O-CB 3.1Å; A252-W255 PolarHBondContact O-N 2.77Å; A252-A256 WeakPolarHBondContact O-CB 3.37Å; A252-A256 PolarHBondContact O-N 2.76Å
253	E	96.4	Very high	96.7	Very high	69 Å²	69	31.1 Å²	31.1	32%	0.322	17%	0.172	S	C	.	.	H	α-helix	trans	-63.6	-36.7	175.6	-70.6	177.2	-120.2	0	0	111.8	T249 D250 I251 W356 K377	T249-E253 PolarHBondContact OG1-OE1 2.98Å; D250-E253 WeakPolarHBondContact O-CB 3.11Å; D250-E253 PolarHBondContact O-N 3.43Å; D250-E253 VanDerWaalsContact O-N 3.14Å; I251-E253 PolarHBondContact O-N 2.97Å; E253-W356 HydrophobicContact CB-CH2 3.54Å; E253-W356 HydrophobicContact CB-CZ2 4.14Å; E253-K377 IonicContact OE1-NZ 3.59Å; E253-K377 IonicContact OE2-NZ 2.8Å; E253-K377 PolarHBondContact OE2-NZ 3.15Å
254	L	97.7	Very high	96.7	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-72.4	-41.4	175.1	-179.7	56.6	0	0	0	110.9	I239 F247 I251 A252 A256 V257 V299 L301 L352 W356	I239-L254 HydrophobicContact CD1-CB 4.39Å; I239-L254 HydrophobicContact CD1-CD2 4.21Å; I239-L254 HydrophobicContact CD1-CG 4.12Å; I239-L254 HydrophobicContact CG2-CD2 3.97Å; F247-L254 HydrophobicContact CE1-CD2 4.27Å; F247-L254 HydrophobicContact CZ-CD2 4.09Å; I251-L254 WeakPolarHBondContact O-CB 3.43Å; I251-L254 PolarHBondContact O-N 3.04Å; I251-L254 VanDerWaalsContact O-N 3.07Å; A252-L254 VanDerWaalsContact C-N 3.28Å; A252-L254 PolarHBondContact O-N 3.41Å; L254-A256 VanDerWaalsContact C-N 3.3Å; L254-A256 PolarHBondContact O-N 3.41Å; L254-V257 VanDerWaalsContact O-CB 3.28Å; L254-V257 WeakPolarHBondContact O-CB 3.23Å; L254-V257 WeakPolarHBondContact O-CG2 3.47Å; L254-V257 PolarHBondContact O-N 3.46Å; L254-V257 VanDerWaalsContact O-N 3.13Å; L254-V299 HydrophobicContact CD2-CG1 3.79Å; L254-L301 HydrophobicContact CD1-CD1 4.16Å; L254-L301 HydrophobicContact CD1-CD2 3.98Å; L254-L301 HydrophobicContact CD1-CG 4.34Å; L254-L301 HydrophobicContact CD2-CD2 4.45Å; L254-L301 HydrophobicContact CG-CD2 3.93Å; L254-L352 HydrophobicContact CD1-CD1 4.42Å; L254-W356 HydrophobicContact CB-CE3 3.89Å; L254-W356 HydrophobicContact CB-CH2 4.09Å; L254-W356 HydrophobicContact CB-CZ3 3.63Å; L254-W356 HydrophobicContact CD1-CD2 3.85Å; L254-W356 HydrophobicContact CD1-CE3 3.81Å; L254-W356 HydrophobicContact CD1-CG 4.18Å; L254-W356 HydrophobicContact CD1-CZ3 4.41Å; L254-W356 HydrophobicContact CD2-CE3 4.34Å; L254-W356 HydrophobicContact CG-CE3 4.21Å; L254-W356 HydrophobicContact CG-CZ3 4.44Å
255	W	98.3	Very high	96.8	Very high	4 Å²	4	36.9 Å²	36.9	2%	0.015	20%	0.197	C	C	.	.	H	α-helix	trans	-58.5	-41.5	175.1	-171.9	-103	0	0	0	112.2	V132 E136 I138 H139 R237 I239 I251 A252 V257 F258	V132-W255 HydrophobicContact CG2-CB 4.35Å; E136-W255 PolarHBondContact OE1-NE1 3.35Å; I138-W255 HydrophobicContact CB-CD2 4.37Å; I138-W255 HydrophobicContact CB-CE3 4.4Å; I138-W255 HydrophobicContact CD1-CB 4.12Å; I138-W255 HydrophobicContact CD1-CG 4.37Å; I138-W255 HydrophobicContact CG1-CB 4.2Å; I138-W255 HydrophobicContact CG1-CD2 4.13Å; I138-W255 HydrophobicContact CG1-CG 3.93Å; I138-W255 HydrophobicContact CG2-CB 4.36Å; I138-W255 HydrophobicContact CG2-CD2 4.01Å; I138-W255 HydrophobicContact CG2-CE3 3.67Å; I138-W255 HydrophobicContact CG2-CG 4.33Å; I138-W255 HydrophobicContact CG2-CZ3 4.2Å; H139-W255 HydrophobicContact CB-CH2 3.96Å; H139-W255 HydrophobicContact CB-CZ3 4.25Å; H139-W255 WeakPolarHBondContact O-CZ3 3.44Å; R237-W255 HydrophobicContact CB-CH2 4.48Å; R237-W255 HydrophobicContact CG-CH2 3.7Å; R237-W255 HydrophobicContact CG-CZ2 3.68Å; R237-W255 WeakPolarHBondContact O-CH2 3.46Å; I239-W255 HydrophobicContact CD1-CB 4.23Å; I239-W255 HydrophobicContact CD1-CE3 3.74Å; I239-W255 HydrophobicContact CG1-CE3 3.71Å; I239-W255 HydrophobicContact CG1-CZ3 4.13Å; I251-W255 PolarHBondContact O-N 2.96Å; A252-W255 WeakPolarHBondContact O-CB 3.1Å; A252-W255 PolarHBondContact O-N 2.77Å; W255-V257 PolarHBondContact O-N 2.87Å; W255-F258 HydrophobicContact CD2-CD2 4.26Å; W255-F258 HydrophobicContact CD2-CE2 4.39Å; W255-F258 HydrophobicContact CE3-CD2 4.19Å; W255-F258 AromaticContact CE3-CE2 3.87Å; W255-F258 HydrophobicContact CE3-CE2 3.87Å; W255-F258 HydrophobicContact CZ3-CE2 4Å; W255-F258 WeakPolarHBondContact O-CD2 3.38Å; W255-F258 PolarHBondContact O-N 3.33Å; W255-F258 VanDerWaalsContact O-N 3.14Å
256	A	97.5	Very high	96.8	Very high	12 Å²	12	36.9 Å²	36.9	10%	0.099	20%	0.197	C	C	.	.	G	3₁₀ helix	trans	-58.4	-23.2	178.2	0	0	0	0	0	113.4	P130 V132 A252 L254 F258 H259	P130-A256 HydrophobicContact CG-CB 4.49Å; P130-A256 WeakPolarHBondContact O-CB 3.47Å; V132-A256 HydrophobicContact CG2-CB 3.88Å; A252-A256 WeakPolarHBondContact O-CB 3.37Å; A252-A256 PolarHBondContact O-N 2.76Å; L254-A256 VanDerWaalsContact C-N 3.3Å; L254-A256 PolarHBondContact O-N 3.41Å; A256-F258 PolarHBondContact O-N 3.28Å; A256-H259 WeakPolarHBondContact O-CB 3.48Å; A256-H259 PolarHBondContact O-N 3.44Å; A256-H259 PolarHBondContact O-ND1 2.77Å
257	V	97.4	Very high	96.8	Very high	6 Å²	6	36.9 Å²	36.9	4%	0.036	20%	0.197	C	C	.	.	G	3₁₀ helix	trans	-64.7	-23.5	180	-176.4	0	0	0	0	112.4	L254 W255 H259 K260 F261 L301 Y350 L352	L254-V257 VanDerWaalsContact O-CB 3.28Å; L254-V257 WeakPolarHBondContact O-CB 3.23Å; L254-V257 WeakPolarHBondContact O-CG2 3.47Å; L254-V257 PolarHBondContact O-N 3.46Å; L254-V257 VanDerWaalsContact O-N 3.13Å; W255-V257 PolarHBondContact O-N 2.87Å; V257-H259 PolarHBondContact O-N 3.19Å; V257-H259 VanDerWaalsContact O-N 3.17Å; V257-K260 HydrophobicContact CG1-CD 4.41Å; V257-K260 WeakPolarHBondContact O-CB 3.22Å; V257-K260 PolarHBondContact O-N 3.45Å; V257-F261 HydrophobicContact CG1-CE1 4.37Å; V257-L301 HydrophobicContact CB-CD1 3.83Å; V257-L301 HydrophobicContact CG1-CD1 3.99Å; V257-Y350 HydrophobicContact CG1-CD1 4.09Å; V257-Y350 HydrophobicContact CG1-CE1 3.53Å; V257-L352 HydrophobicContact CB-CD2 4.35Å; V257-L352 HydrophobicContact CG1-CD2 3.54Å
258	F	97.6	Very high	96.9	Very high	8 Å²	8	36.9 Å²	36.9	4%	0.035	20%	0.197	C	C	.	.	G	3₁₀ helix	trans	-54.6	-34.4	173.2	-81.8	-66	0	0	0	112.8	R237 V238 I239 W255 A256 K260 F261 L301 L303	R237-F258 HydrophobicContact CB-CD1 4.32Å; R237-F258 HydrophobicContact CB-CD2 4.37Å; R237-F258 HydrophobicContact CB-CE1 4Å; R237-F258 HydrophobicContact CB-CE2 4.07Å; R237-F258 HydrophobicContact CB-CG 4.49Å; R237-F258 HydrophobicContact CB-CZ 3.86Å; R237-F258 HydrophobicContact CG-CD2 4.49Å; R237-F258 HydrophobicContact CG-CE2 4.48Å; V238-F258 WeakPolarHBondContact O-CZ 3.42Å; I239-F258 HydrophobicContact CG1-CE2 4.39Å; W255-F258 HydrophobicContact CD2-CD2 4.26Å; W255-F258 HydrophobicContact CD2-CE2 4.39Å; W255-F258 HydrophobicContact CE3-CD2 4.19Å; W255-F258 AromaticContact CE3-CE2 3.87Å; W255-F258 HydrophobicContact CE3-CE2 3.87Å; W255-F258 HydrophobicContact CZ3-CE2 4Å; W255-F258 WeakPolarHBondContact O-CD2 3.38Å; W255-F258 PolarHBondContact O-N 3.33Å; W255-F258 VanDerWaalsContact O-N 3.14Å; A256-F258 PolarHBondContact O-N 3.28Å; F258-K260 PolarHBondContact O-N 2.94Å; F258-F261 HydrophobicContact CD1-CE2 4.18Å; F258-F261 HydrophobicContact CD1-CZ 4.26Å; F258-F261 HydrophobicContact CE1-CE2 4.36Å; F258-F261 HydrophobicContact CE1-CZ 4.47Å; F258-F261 WeakPolarHBondContact O-CB 3.43Å; F258-F261 PolarHBondContact O-N 3.31Å; F258-L301 HydrophobicContact CD1-CB 4.35Å; F258-L301 HydrophobicContact CE1-CB 3.65Å; F258-L301 HydrophobicContact CE2-CB 4.25Å; F258-L301 HydrophobicContact CE2-CD2 4Å; F258-L301 HydrophobicContact CZ-CB 3.59Å; F258-L301 HydrophobicContact CZ-CD2 4.12Å; F258-L301 HydrophobicContact CZ-CG 4.36Å; F258-L303 HydrophobicContact CD1-CD2 3.39Å; F258-L303 HydrophobicContact CD1-CG 3.98Å; F258-L303 HydrophobicContact CE1-CD2 3.64Å; F258-L303 HydrophobicContact CE1-CG 4.04Å; F258-L303 HydrophobicContact CG-CD2 4.33Å
259	H	95.9	Very high	97	Very high	93 Å²	93	35.5 Å²	35.5	43%	0.431	19%	0.185	S	C	.	.	G	3₁₀ helix	trans	-66.9	-14.7	177.7	-59.7	102.5	0	0	0	113.5	P130 R237 A256 V257	P130-H259 HydrophobicContact CB-CB 3.94Å; P130-H259 HydrophobicContact CG-CB 4.12Å; R237-H259 PolarHBondContact NH1-NE2 3.4Å; A256-H259 WeakPolarHBondContact O-CB 3.48Å; A256-H259 PolarHBondContact O-N 3.44Å; A256-H259 PolarHBondContact O-ND1 2.77Å; V257-H259 PolarHBondContact O-N 3.19Å; V257-H259 VanDerWaalsContact O-N 3.17Å
260	K	96.5	Very high	97.1	Very high	101 Å²	101	34.9 Å²	34.9	44%	0.439	18%	0.181	S	C	.	.	G	3₁₀ helix	trans	-87.9	-11.3	178.4	-57.9	-176.5	-178.9	175.5	0	113	V257 F258 Y350	V257-K260 HydrophobicContact CG1-CD 4.41Å; V257-K260 WeakPolarHBondContact O-CB 3.22Å; V257-K260 PolarHBondContact O-N 3.45Å; F258-K260 PolarHBondContact O-N 2.94Å; K260-Y350 HydrophobicContact CB-CE2 3.82Å; K260-Y350 WeakPolarHBondContact CD-OH 3.27Å
261	F	96.9	Very high	97.2	Very high	20 Å²	20	37 Å²	37	9%	0.088	19%	0.191	C	C	.	.			trans	-68.5	134	-179.9	-75	27.2	0	0	0	109.6	V257 F258 Q265 G268 L301 L303 Y350	V257-F261 HydrophobicContact CG1-CE1 4.37Å; F258-F261 HydrophobicContact CD1-CE2 4.18Å; F258-F261 HydrophobicContact CD1-CZ 4.26Å; F258-F261 HydrophobicContact CE1-CE2 4.36Å; F258-F261 HydrophobicContact CE1-CZ 4.47Å; F258-F261 WeakPolarHBondContact O-CB 3.43Å; F258-F261 PolarHBondContact O-N 3.31Å; F261-Q265 HydrophobicContact CB-CB 4.19Å; F261-Q265 HydrophobicContact CD2-CB 4.21Å; F261-Q265 HydrophobicContact CG-CB 4.29Å; F261-G268 VanDerWaalsContact CZ-CA 3.49Å; F261-L301 HydrophobicContact CE1-CD1 4.19Å; F261-L301 HydrophobicContact CZ-CB 3.85Å; F261-L301 HydrophobicContact CZ-CD1 4.17Å; F261-L303 HydrophobicContact CB-CD1 4.48Å; F261-L303 HydrophobicContact CD2-CD1 3.69Å; F261-L303 HydrophobicContact CD2-CG 4.03Å; F261-L303 HydrophobicContact CE2-CD1 4.39Å; F261-L303 HydrophobicContact CE2-CG 4.25Å; F261-Y350 AromaticContact CD1-CD1 3.99Å; F261-Y350 HydrophobicContact CD1-CD1 3.99Å; F261-Y350 AromaticContact CD1-CD2 3.98Å; F261-Y350 HydrophobicContact CD1-CD2 3.98Å; F261-Y350 AromaticContact CD1-CG 3.58Å; F261-Y350 HydrophobicContact CD1-CG 3.58Å; F261-Y350 VanDerWaalsContact CE1-CB 3.49Å; F261-Y350 AromaticContact CE1-CD1 3.6Å; F261-Y350 HydrophobicContact CE1-CD1 3.6Å; F261-Y350 HydrophobicContact CE1-CD2 4.4Å; F261-Y350 HydrophobicContact CE1-CE1 4.46Å; F261-Y350 AromaticContact CE1-CG 3.57Å; F261-Y350 HydrophobicContact CE1-CG 3.57Å; F261-Y350 HydrophobicContact CG-CG 4.49Å; F261-Y350 HydrophobicContact CZ-CG 4.47Å
262	K	94.1	Very high	97.1	Very high	163 Å²	163	37.2 Å²	37.2	71%	0.709	19%	0.192	S	C	*	.			trans	-125.2	151.9	-179.6	-64.4	-177.4	-179	-177.8	0	110.7	Q264 Q265	K262-Q264 PolarHBondContact O-N 3.32Å; K262-Q265 WeakPolarHBondContact O-CB 3.25Å; K262-Q265 VanDerWaalsContact O-CG 3.26Å; K262-Q265 WeakPolarHBondContact O-CG 3.49Å; K262-Q265 PolarHBondContact O-N 3.39Å; K262-Q265 PolarHBondContact O-OE1 3.32Å
263	G	94.3	Very high	97	Very high	70 Å²	70	37.2 Å²	37.2	72%	0.722	19%	0.19	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.4	-125.5	176.8	0	0	0	0	0	113.1	Q265	G263-Q265 VanDerWaalsContact C-N 3.34Å
264	Q	95.2	Very high	96.8	Very high	118 Å²	118	34.4 Å²	34.4	55%	0.551	18%	0.179	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.9	11.1	-178.2	-64.6	-178	-59.9	0	0	113.7	K262 V266 F347	K262-Q264 PolarHBondContact O-N 3.32Å; Q264-V266 PolarHBondContact O-N 3.25Å; Q264-F347 HydrophobicContact CB-CD2 3.85Å; Q264-F347 HydrophobicContact CB-CE2 4.35Å
265	Q	98.2	Very high	96.7	Very high	44 Å²	44	36 Å²	36	21%	0.206	19%	0.187	C	C	.	.			trans	-65.4	126.4	175.1	-67.8	174.4	-32.8	0	0	110.1	F261 K262 G263 L348 V349	F261-Q265 HydrophobicContact CB-CB 4.19Å; F261-Q265 HydrophobicContact CD2-CB 4.21Å; F261-Q265 HydrophobicContact CG-CB 4.29Å; K262-Q265 WeakPolarHBondContact O-CB 3.25Å; K262-Q265 VanDerWaalsContact O-CG 3.26Å; K262-Q265 WeakPolarHBondContact O-CG 3.49Å; K262-Q265 PolarHBondContact O-N 3.39Å; K262-Q265 PolarHBondContact O-OE1 3.32Å; G263-Q265 VanDerWaalsContact C-N 3.34Å; Q265-L348 WeakPolarHBondContact CA-O 3.44Å; Q265-V349 PolarHBondContact NE2-O 3.41Å; Q265-V349 VanDerWaalsContact NE2-O 3.13Å
266	V	98.2	Very high	96.5	Very high	1 Å²	1	38.2 Å²	38.2	1%	0.006	20%	0.196	C	C	.	.			trans	-136.3	-13.2	-176.7	-65.8	0	0	0	0	113.3	Q264 L303 K306 L307 M310 L348	Q264-V266 PolarHBondContact O-N 3.25Å; V266-L303 HydrophobicContact CB-CB 4.31Å; V266-L303 HydrophobicContact CG1-CB 4.42Å; V266-L303 PolarHBondContact O-N 2.83Å; V266-K306 HydrophobicContact CG1-CB 3.46Å; V266-K306 VanDerWaalsContact CG1-CB 3.46Å; V266-K306 HydrophobicContact CG1-CD 3.86Å; V266-K306 HydrophobicContact CG1-CG 4.32Å; V266-L307 HydrophobicContact CB-CD2 4.16Å; V266-L307 HydrophobicContact CB-CG 4.07Å; V266-L307 HydrophobicContact CG2-CD2 3.62Å; V266-L307 HydrophobicContact CG2-CG 4.11Å; V266-M310 HydrophobicContact CG1-SD 4.06Å; V266-M310 HydrophobicContact CG2-SD 4.36Å; V266-L348 HydrophobicContact CG2-CB 4.11Å; V266-L348 HydrophobicContact CG2-CD2 3.97Å; V266-L348 PolarHBondContact N-O 3.32Å
267	L	98.5	Very high	96.4	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	122.4	177.9	-57.3	177.2	0	0	0	110	L269 L301 L302 L307 W312 F338 I342 L348 V349 Y350	L267-L269 HydrophobicContact CB-CD1 4.24Å; L267-L301 CarbonylContact C-O 3.4Å; L267-L301 WeakPolarHBondContact CA-O 3.01Å; L267-L302 HydrophobicContact CD2-CD2 3.26Å; L267-L307 HydrophobicContact CD2-CD1 4.03Å; L267-L307 HydrophobicContact CD2-CD2 4.14Å; L267-W312 HydrophobicContact CD1-CH2 4.3Å; L267-W312 HydrophobicContact CD1-CZ3 4.23Å; L267-F338 HydrophobicContact CD1-CD1 4.19Å; L267-F338 HydrophobicContact CD1-CE1 4.42Å; L267-F338 HydrophobicContact CD2-CE1 4.12Å; L267-I342 HydrophobicContact CD1-CD1 4.15Å; L267-I342 HydrophobicContact CD1-CG1 4.06Å; L267-L348 PolarHBondContact N-O 3.32Å; L267-V349 HydrophobicContact CB-CG2 4.44Å; L267-V349 CarbonylContact O-C 3.51Å; L267-V349 WeakPolarHBondContact O-CA 3.19Å; L267-Y350 PolarHBondContact O-N 2.94Å
268	G	98.6	Very high	96.3	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	118	167.4	0	0	0	0	0	110.4	F261 I300 L301 Y350	F261-G268 VanDerWaalsContact CZ-CA 3.49Å; G268-I300 WeakPolarHBondContact O-CA 3.41Å; G268-L301 PolarHBondContact N-O 2.83Å; G268-L301 PolarHBondContact O-N 3.02Å; G268-Y350 WeakPolarHBondContact CA-O 3.16Å
269	L	98.6	Very high	95.9	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	151.6	-174.4	-70.1	162.3	0	0	0	111	L267 Y295 N296 T297 I300 I342 Y350 L352	L267-L269 HydrophobicContact CB-CD1 4.24Å; L269-Y295 HydrophobicContact CB-CD1 3.71Å; L269-Y295 HydrophobicContact CB-CG 3.99Å; L269-Y295 HydrophobicContact CD1-CG 4.32Å; L269-N296 WeakPolarHBondContact CD2-O 3.29Å; L269-T297 HydrophobicContact CD2-CG2 4.4Å; L269-I300 HydrophobicContact CD2-CB 4.03Å; L269-I300 HydrophobicContact CD2-CD1 4.49Å; L269-I300 HydrophobicContact CD2-CG1 3.77Å; L269-I300 HydrophobicContact CD2-CG2 3.69Å; L269-I300 HydrophobicContact CG-CG2 4.23Å; L269-I342 HydrophobicContact CD1-CD1 3.5Å; L269-I342 VanDerWaalsContact CD1-CD1 3.5Å; L269-Y350 PolarHBondContact N-O 3.07Å; L269-L352 WeakPolarHBondContact O-CB 3.41Å; L269-L352 PolarHBondContact O-N 3.1Å
270	V	98.1	Very high	95.5	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	137.1	172.1	172.8	0	0	0	0	109.6	N272 Y295 N296 L352 C354 W356 N357	V270-N272 PolarHBondContact O-N 3.29Å; V270-Y295 WeakPolarHBondContact O-CA 3.42Å; V270-N296 PolarHBondContact O-N 3.23Å; V270-L352 HydrophobicContact CG2-CB 3.49Å; V270-L352 VanDerWaalsContact CG2-CB 3.49Å; V270-L352 HydrophobicContact CG2-CD1 4.17Å; V270-L352 HydrophobicContact CG2-CG 4.47Å; V270-C354 HydrophobicContact CG1-CB 3.96Å; V270-W356 HydrophobicContact CG2-CB 4Å; V270-N357 HydrophobicContact CB-CB 3.67Å; V270-N357 HydrophobicContact CG1-CB 3.98Å; V270-N357 HydrophobicContact CG2-CB 3.57Å
271	E	97.8	Very high	95	Very high	59 Å²	59	40.9 Å²	40.9	28%	0.276	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-50.6	135.4	172.1	-174	-175.7	-109.2	0	0	109.5	Q273 R293 G294 Q359	E271-Q273 PolarHBondContact O-N 3.31Å; E271-R293 HydrophobicContact CG-CB 3.88Å; E271-R293 IonicContact OE2-NH1 2.97Å; E271-R293 PolarHBondContact OE2-NH1 2.98Å; E271-G294 CarbonylContact C-O 3.57Å; E271-G294 WeakPolarHBondContact CA-O 3.38Å; E271-G294 WeakPolarHBondContact CG-O 3.44Å; E271-Q359 PolarHBondContact O-NE2 3.43Å; E271-Q359 VanDerWaalsContact O-NE2 3.13Å
272	N	96.6	Very high	94.6	Very high	4 Å²	4	46.1 Å²	46.1	2%	0.021	24%	0.24	C	C	.	.	P	Polyproline II helix	trans	-63.1	122.5	174.3	169.9	67	0	0	0	108.9	V270 S274 R293 G294 N296 Q359	V270-N272 PolarHBondContact O-N 3.29Å; N272-S274 PolarHBondContact ND2-O 2.88Å; N272-S274 PolarHBondContact ND2-OG 3.15Å; N272-S274 PolarHBondContact O-N 3.32Å; N272-S274 PolarHBondContact OD1-OG 2.9Å; N272-R293 WeakPolarHBondContact CB-O 3.31Å; N272-R293 PolarHBondContact ND2-O 3.43Å; N272-R293 WeakPolarHBondContact O-CB 3.35Å; N272-G294 PolarHBondContact N-O 2.79Å; N272-N296 HydrophobicContact CB-CB 4.42Å; N272-Q359 PolarHBondContact OD1-OE1 2.97Å
273	Q	95	Very high	94.3	Very high	9 Å²	9	47.1 Å²	47.1	4%	0.042	24%	0.244	C	C	.	.	S	Bend	trans	-85.8	31.6	-170.5	-65.2	168.1	6.6	0	0	111.5	E271 C354 N357 Q359 T364 R365 C369	E271-Q273 PolarHBondContact O-N 3.31Å; Q273-C354 PolarHBondContact NE2-O 3.24Å; Q273-C354 VanDerWaalsContact NE2-O 3.08Å; Q273-N357 PolarHBondContact NE2-O 2.86Å; Q273-Q359 HydrophobicContact CB-CB 4.16Å; Q273-T364 CarbonylContact O-C 3.59Å; Q273-T364 VanDerWaalsContact O-CA 3.32Å; Q273-T364 WeakPolarHBondContact O-CA 3.31Å; Q273-T364 PolarHBondContact O-OG1 3.47Å; Q273-R365 PolarHBondContact O-N 3.26Å; Q273-C369 PolarHBondContact NE2-SG 2.79Å
274	S	92.9	Very high	93.8	Very high	11 Å²	11	50.9 Å²	50.9	8%	0.077	25%	0.248	C	C	.	.	S	Bend	trans	-139.8	160.1	173.3	66.6	0	0	0	0	109.8	N272 W276 H363	N272-S274 PolarHBondContact ND2-O 2.88Å; N272-S274 PolarHBondContact ND2-OG 3.15Å; N272-S274 PolarHBondContact O-N 3.32Å; N272-S274 PolarHBondContact OD1-OG 2.9Å; S274-W276 PolarHBondContact O-N 3.13Å; S274-W276 VanDerWaalsContact O-N 3.16Å; S274-H363 WeakPolarHBondContact CB-O 3.23Å
275	D	93.8	Very high	93.6	Very high	33 Å²	33	46.2 Å²	46.2	18%	0.176	23%	0.226	C	C	.	.	S	Bend	trans	-83.3	20.3	179.7	-65.3	-27.6	0	0	0	112.4	Y277 L278 L281 R293 R365	D275-Y277 PolarHBondContact O-N 2.97Å; D275-L278 HydrophobicContact CB-CB 4.49Å; D275-L278 HydrophobicContact CB-CD1 3.91Å; D275-L278 HydrophobicContact CB-CG 4.34Å; D275-L278 WeakPolarHBondContact O-CB 3.23Å; D275-L278 PolarHBondContact O-N 2.93Å; D275-L278 VanDerWaalsContact O-N 3.1Å; D275-L281 HydrophobicContact CB-CD2 4.04Å; D275-R293 IonicContact OD1-CZ 3.76Å; D275-R293 IonicContact OD1-NE 3.96Å; D275-R293 PolarHBondContact OD1-NE 3.39Å; D275-R293 IonicContact OD1-NH2 3.83Å; D275-R365 IonicContact OD1-NH1 3.23Å; D275-R365 PolarHBondContact OD1-NH1 3.08Å; D275-R365 IonicContact OD2-CZ 3.48Å; D275-R365 IonicContact OD2-NH1 2.62Å; D275-R365 PolarHBondContact OD2-NH1 2.95Å
276	W	94.1	Very high	93.2	Very high	51 Å²	51	52.5 Å²	52.5	19%	0.193	25%	0.248	C	C	.	.	G	3₁₀ helix	trans	-50.2	-56.9	-178.5	179.5	-88.9	0	0	0	112.5	S274 L278 G279 L281 W282 H285 P287 L332	S274-W276 PolarHBondContact O-N 3.13Å; S274-W276 VanDerWaalsContact O-N 3.16Å; W276-L278 PolarHBondContact O-N 3.39Å; W276-G279 PolarHBondContact O-N 3.31Å; W276-L281 HydrophobicContact CB-CD1 4.18Å; W276-L281 HydrophobicContact CE3-CD1 3.87Å; W276-W282 HydrophobicContact CE3-CH2 4.23Å; W276-W282 HydrophobicContact CH2-CH2 4.03Å; W276-W282 AromaticContact CZ3-CH2 3.61Å; W276-W282 HydrophobicContact CZ3-CH2 3.61Å; W276-W282 HydrophobicContact CZ3-CZ3 4.2Å; W276-H285 AromaticContact CD2-CE1 3.82Å; W276-H285 AromaticContact CD2-NE2 3.85Å; W276-H285 AromaticContact CE2-NE2 3.73Å; W276-H285 AromaticContact CZ2-NE2 3.87Å; W276-H285 PolarHBondContact O-CE1 3.49Å; W276-P287 WeakPolarHBondContact O-CG 3.42Å; W276-L332 HydrophobicContact CD2-CD1 3.94Å; W276-L332 HydrophobicContact CG-CD1 3.9Å; W276-L332 HydrophobicContact CH2-CD2 4.47Å; W276-L332 HydrophobicContact CZ2-CD1 4.29Å; W276-L332 HydrophobicContact CZ2-CD2 4.17Å; W276-L332 HydrophobicContact CZ2-CG 4Å; W276-L332 VanDerWaalsContact NE1-CD1 3.33Å
277	Y	96.2	Very high	93.1	Very high	15 Å²	15	53.4 Å²	53.4	6%	0.059	25%	0.254	C	S	.	.	G	3₁₀ helix	trans	-73.6	-7.2	-176.3	-68.8	-74.8	0	0	0	114.7	D275 G279 P287 W288 A290 R293 L332 Q335 D336 N339	D275-Y277 PolarHBondContact O-N 2.97Å; Y277-G279 PolarHBondContact O-N 3.35Å; Y277-P287 HydrophobicContact CD1-CB 4.05Å; Y277-P287 WeakPolarHBondContact O-CG 3.44Å; Y277-W288 WeakPolarHBondContact CD1-O 3.28Å; Y277-W288 HydrophobicContact CE1-CB 4.41Å; Y277-A290 HydrophobicContact CD1-CB 3.66Å; Y277-A290 HydrophobicContact CD2-CB 4.3Å; Y277-A290 HydrophobicContact CE1-CB 4.38Å; Y277-A290 HydrophobicContact CG-CB 3.62Å; Y277-R293 WeakPolarHBondContact CD2-O 3.47Å; Y277-L332 HydrophobicContact CE2-CD1 4.34Å; Y277-Q335 PolarHBondContact OH-NE2 3.31Å; Y277-Q335 VanDerWaalsContact OH-NE2 3.08Å; Y277-D336 VanDerWaalsContact CE1-OD1 3.25Å; Y277-D336 WeakPolarHBondContact CE1-OD1 3.44Å; Y277-D336 PolarHBondContact OH-N 2.93Å; Y277-D336 PolarHBondContact OH-OD1 2.86Å; Y277-N339 HydrophobicContact CE1-CB 4.33Å
278	L	94.7	Very high	93	Very high	78 Å²	78	53.6 Å²	53.6	41%	0.408	25%	0.254	S	S	.	.	G	3₁₀ helix	trans	-77.3	-12.1	173.5	-57.5	-175.5	0	0	0	112.6	D275 W276 N280 G292 R293	D275-L278 HydrophobicContact CB-CB 4.49Å; D275-L278 HydrophobicContact CB-CD1 3.91Å; D275-L278 HydrophobicContact CB-CG 4.34Å; D275-L278 WeakPolarHBondContact O-CB 3.23Å; D275-L278 PolarHBondContact O-N 2.93Å; D275-L278 VanDerWaalsContact O-N 3.1Å; W276-L278 PolarHBondContact O-N 3.39Å; L278-N280 PolarHBondContact O-N 3.41Å; L278-G292 WeakPolarHBondContact CD2-O 3.29Å; L278-R293 HydrophobicContact CD1-CG 4.23Å; L278-R293 HydrophobicContact CD2-CG 4.41Å; L278-R293 HydrophobicContact CG-CG 4.29Å
279	G	90	Very high	92.8	Very high	26 Å²	26	54.5 Å²	54.5	27%	0.268	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	68.9	19.1	174.6	0	0	0	0	0	114.8	W276 Y277 H285 P287	W276-G279 PolarHBondContact O-N 3.31Å; Y277-G279 PolarHBondContact O-N 3.35Å; G279-H285 VanDerWaalsContact O-O 3.13Å; G279-P287 VanDerWaalsContact CA-CD 3.46Å
280	N	87.4	Confident	92.8	Very high	105 Å²	105	55 Å²	55	56%	0.561	27%	0.265	S	S	*	.			trans	-118	5.5	-174.8	62.2	1.5	0	0	0	113.8	L278 W282	L278-N280 PolarHBondContact O-N 3.41Å; N280-W282 PolarHBondContact O-N 3.4Å
281	L	85.5	Confident	92.7	Very high	51 Å²	51	57.6 Å²	57.6	27%	0.267	28%	0.278	S	S	.	.	S	Bend	trans	-62.1	-39.2	179.6	-69.8	-178	0	0	0	113.4	D275 W276	D275-L281 HydrophobicContact CB-CD2 4.04Å; W276-L281 HydrophobicContact CB-CD1 4.18Å; W276-L281 HydrophobicContact CE3-CD1 3.87Å
282	W	88.4	Confident	92.6	Very high	131 Å²	131	57.3 Å²	57.3	50%	0.496	29%	0.291	S	S	.	.	S	Bend	trans	-152.4	168.2	173.5	61.9	89.2	0	0	0	111.1	W276 N280 N284 H285	W276-W282 HydrophobicContact CE3-CH2 4.23Å; W276-W282 HydrophobicContact CH2-CH2 4.03Å; W276-W282 AromaticContact CZ3-CH2 3.61Å; W276-W282 HydrophobicContact CZ3-CH2 3.61Å; W276-W282 HydrophobicContact CZ3-CZ3 4.2Å; N280-W282 PolarHBondContact O-N 3.4Å; W282-N284 PolarHBondContact O-N 2.9Å; W282-H285 HydrophobicContact CD2-CB 3.9Å; W282-H285 AromaticContact CE2-CD2 3.82Å; W282-H285 AromaticContact CE2-CG 3.83Å; W282-H285 HydrophobicContact CG-CB 4.1Å; W282-H285 AromaticContact CH2-CD2 3.57Å; W282-H285 AromaticContact CH2-CG 3.95Å; W282-H285 AromaticContact CH2-NE2 3.66Å; W282-H285 HydrophobicContact CZ2-CB 4.13Å; W282-H285 AromaticContact CZ2-CD2 3.29Å; W282-H285 WeakPolarHBondContact CZ2-CD2 3.49Å; W282-H285 AromaticContact CZ2-CG 3.73Å; W282-H285 AromaticContact CZ2-NE2 3.87Å; W282-H285 VanDerWaalsContact O-CB 3.24Å; W282-H285 WeakPolarHBondContact O-CB 3.42Å; W282-H285 PolarHBondContact O-N 2.95Å
283	K	87.6	Confident	92.6	Very high	184 Å²	184	59.7 Å²	59.7	80%	0.8	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.8	128.4	-179.1	-170.6	176.2	-178.5	178.9	0	110.7	H285	K283-H285 VanDerWaalsContact C-N 3.26Å; K283-H285 PolarHBondContact O-N 3.16Å
284	N	85.4	Confident	92.8	Very high	148 Å²	148	59.3 Å²	59.3	79%	0.791	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.9	15.1	-176.2	-48.2	-29.6	0	0	0	115.1	W282 R286	W282-N284 PolarHBondContact O-N 2.9Å; N284-R286 PolarHBondContact O-N 2.88Å; N284-R286 VanDerWaalsContact O-N 3.15Å
285	H	89.4	Confident	93	Very high	20 Å²	20	59.9 Å²	59.9	9%	0.093	30%	0.298	C	S	.	.			trans	-64.4	115.1	170.1	-177.1	-146	0	0	0	109.9	W276 G279 W282 K283	W276-H285 AromaticContact CD2-CE1 3.82Å; W276-H285 AromaticContact CD2-NE2 3.85Å; W276-H285 AromaticContact CE2-NE2 3.73Å; W276-H285 AromaticContact CZ2-NE2 3.87Å; W276-H285 PolarHBondContact O-CE1 3.49Å; G279-H285 VanDerWaalsContact O-O 3.13Å; W282-H285 HydrophobicContact CD2-CB 3.9Å; W282-H285 AromaticContact CE2-CD2 3.82Å; W282-H285 AromaticContact CE2-CG 3.83Å; W282-H285 HydrophobicContact CG-CB 4.1Å; W282-H285 AromaticContact CH2-CD2 3.57Å; W282-H285 AromaticContact CH2-CG 3.95Å; W282-H285 AromaticContact CH2-NE2 3.66Å; W282-H285 HydrophobicContact CZ2-CB 4.13Å; W282-H285 AromaticContact CZ2-CD2 3.29Å; W282-H285 WeakPolarHBondContact CZ2-CD2 3.49Å; W282-H285 AromaticContact CZ2-CG 3.73Å; W282-H285 AromaticContact CZ2-NE2 3.87Å; W282-H285 VanDerWaalsContact O-CB 3.24Å; W282-H285 WeakPolarHBondContact O-CB 3.42Å; W282-H285 PolarHBondContact O-N 2.95Å; K283-H285 VanDerWaalsContact C-N 3.26Å; K283-H285 PolarHBondContact O-N 3.16Å
286	R	91.5	Very high	93.2	Very high	176 Å²	176	58.6 Å²	58.6	66%	0.664	29%	0.291	S	S	*	.			trans	-122.7	89.6	-179.6	-170.3	-179.5	-178	-163.2	-2.2	109.5	N284 M327	N284-R286 PolarHBondContact O-N 2.88Å; N284-R286 VanDerWaalsContact O-N 3.15Å; R286-M327 HydrophobicContact CG-CE 4.08Å; R286-M327 HydrophobicContact CG-SD 4.29Å
287	P	94.5	Very high	93.4	Very high	20 Å²	20	56.3 Å²	56.3	13%	0.13	28%	0.283	C	S	.	.	P	Polyproline II helix	trans	-75.6	164.3	178.6	33.3	-37.6	0	0	0	111	W276 Y277 G279 M327	W276-P287 WeakPolarHBondContact O-CG 3.42Å; Y277-P287 HydrophobicContact CD1-CB 4.05Å; Y277-P287 WeakPolarHBondContact O-CG 3.44Å; G279-P287 VanDerWaalsContact CA-CD 3.46Å; P287-M327 WeakPolarHBondContact O-CE 3.32Å
288	W	95.9	Very high	93.5	Very high	4 Å²	4	55.6 Å²	55.6	2%	0.015	28%	0.28	C	S	.	.	P	Polyproline II helix	trans	-60.2	155.7	167.2	-82.6	58.8	0	0	0	111.2	Y277 A290 E323 L324 M327 S329 T330 D336 I337 A340	Y277-W288 WeakPolarHBondContact CD1-O 3.28Å; Y277-W288 HydrophobicContact CE1-CB 4.41Å; W288-A290 PolarHBondContact O-N 3.16Å; W288-E323 HydrophobicContact CE3-CB 3.83Å; W288-E323 HydrophobicContact CE3-CG 4.15Å; W288-E323 HydrophobicContact CH2-CB 3.85Å; W288-E323 HydrophobicContact CZ3-CB 3.47Å; W288-E323 VanDerWaalsContact CZ3-CB 3.47Å; W288-E323 HydrophobicContact CZ3-CG 4.04Å; W288-L324 HydrophobicContact CH2-CD2 4.15Å; W288-L324 HydrophobicContact CH2-CG 4.04Å; W288-L324 HydrophobicContact CZ2-CD2 3.89Å; W288-L324 HydrophobicContact CZ2-CG 4.27Å; W288-M327 HydrophobicContact CZ2-CB 4.11Å; W288-S329 PolarHBondContact NE1-O 2.64Å; W288-T330 HydrophobicContact CH2-CG2 3.77Å; W288-T330 HydrophobicContact CZ2-CG2 3.49Å; W288-T330 VanDerWaalsContact CZ2-CG2 3.49Å; W288-T330 HydrophobicContact CZ3-CG2 4.41Å; W288-D336 HydrophobicContact CB-CB 3.79Å; W288-D336 HydrophobicContact CD2-CB 3.74Å; W288-D336 HydrophobicContact CE3-CB 4.02Å; W288-D336 HydrophobicContact CG-CB 3.62Å; W288-I337 HydrophobicContact CE3-CG1 4.47Å; W288-I337 HydrophobicContact CH2-CG1 4.18Å; W288-I337 HydrophobicContact CZ3-CG1 3.78Å; W288-A340 HydrophobicContact CE3-CB 4.21Å
289	P	96.5	Very high	93.6	Very high	19 Å²	19	51.9 Å²	51.9	12%	0.123	26%	0.261	C	S	.	.	P	Polyproline II helix	trans	-61.8	133.6	178.9	19.3	-27.8	0	0	0	112.4	E323 N339 A340 K343	P289-E323 VanDerWaalsContact CG-CD 3.45Å; P289-E323 HydrophobicContact CG-CG 3.98Å; P289-E323 WeakPolarHBondContact CG-OE2 3.49Å; P289-N339 CarbonylContact O-C 3.36Å; P289-A340 HydrophobicContact CG-CB 3.81Å; P289-A340 VanDerWaalsContact O-CA 3.29Å; P289-A340 WeakPolarHBondContact O-CA 3.5Å; P289-A340 PolarHBondContact O-N 2.76Å; P289-A340 VanDerWaalsContact O-N 3.14Å; P289-K343 HydrophobicContact CB-CD 3.4Å; P289-K343 VanDerWaalsContact CB-CD 3.4Å
290	A	97.6	Very high	94.1	Very high	12 Å²	12	50.6 Å²	50.6	10%	0.099	25%	0.248	C	C	.	.			trans	-141.6	169.6	170.1	0	0	0	0	0	112	Y277 W288 N339	Y277-A290 HydrophobicContact CD1-CB 3.66Å; Y277-A290 HydrophobicContact CD2-CB 4.3Å; Y277-A290 HydrophobicContact CE1-CB 4.38Å; Y277-A290 HydrophobicContact CG-CB 3.62Å; W288-A290 PolarHBondContact O-N 3.16Å; A290-N339 HydrophobicContact CB-CB 3.73Å
291	L	96.4	Very high	94.6	Very high	54 Å²	54	45.6 Å²	45.6	28%	0.283	22%	0.221	S	C	.	.	S	Bend	trans	-85.3	122.6	165.6	-66	176.7	0	0	0	109.8	R293 G294 I342 K343 P346	L291-R293 PolarHBondContact O-N 3.35Å; L291-G294 WeakPolarHBondContact O-CA 3.2Å; L291-G294 PolarHBondContact O-N 2.89Å; L291-I342 HydrophobicContact CD1-CG2 3.58Å; L291-I342 HydrophobicContact CG-CG2 4.15Å; L291-K343 HydrophobicContact CD2-CB 4.44Å; L291-K343 HydrophobicContact CD2-CG 4.11Å; L291-K343 HydrophobicContact CG-CB 4.44Å; L291-P346 HydrophobicContact CD1-CB 3.59Å; L291-P346 HydrophobicContact CD1-CG 3.88Å; L291-P346 HydrophobicContact CD2-CG 4.15Å
292	G	96.1	Very high	95.2	Very high	52 Å²	52	43.4 Å²	43.4	54%	0.536	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.3	-126.8	179.9	0	0	0	0	0	111.6	L278 G294	L278-G292 WeakPolarHBondContact CD2-O 3.29Å; G292-G294 PolarHBondContact O-N 3.19Å
293	R	96.2	Very high	95.7	Very high	55 Å²	55	37.9 Å²	37.9	21%	0.208	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.7	-1.2	175.4	-68.8	-168.1	-175.6	109.2	3.3	114.5	E271 N272 D275 Y277 L278 L291 R365	E271-R293 HydrophobicContact CG-CB 3.88Å; E271-R293 IonicContact OE2-NH1 2.97Å; E271-R293 PolarHBondContact OE2-NH1 2.98Å; N272-R293 WeakPolarHBondContact CB-O 3.31Å; N272-R293 PolarHBondContact ND2-O 3.43Å; N272-R293 WeakPolarHBondContact O-CB 3.35Å; D275-R293 IonicContact OD1-CZ 3.76Å; D275-R293 IonicContact OD1-NE 3.96Å; D275-R293 PolarHBondContact OD1-NE 3.39Å; D275-R293 IonicContact OD1-NH2 3.83Å; Y277-R293 WeakPolarHBondContact CD2-O 3.47Å; L278-R293 HydrophobicContact CD1-CG 4.23Å; L278-R293 HydrophobicContact CD2-CG 4.41Å; L278-R293 HydrophobicContact CG-CG 4.29Å; L291-R293 PolarHBondContact O-N 3.35Å; R293-R365 VanDerWaalsContact NH2-CZ 3.3Å
294	G	97.8	Very high	96.2	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	15%	0.152	C	C	.	.			trans	71.8	-173.2	-171.7	0	0	0	0	0	112.8	E271 N272 L291 G292 N339	E271-G294 CarbonylContact C-O 3.57Å; E271-G294 WeakPolarHBondContact CA-O 3.38Å; E271-G294 WeakPolarHBondContact CG-O 3.44Å; N272-G294 PolarHBondContact N-O 2.79Å; L291-G294 WeakPolarHBondContact O-CA 3.2Å; L291-G294 PolarHBondContact O-N 2.89Å; G292-G294 PolarHBondContact O-N 3.19Å; G294-N339 WeakPolarHBondContact CA-OD1 3.36Å
295	Y	98.3	Very high	96.7	Very high	23 Å²	23	23.9 Å²	23.9	9%	0.09	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	142.3	-177.8	-67.5	-81.4	0	0	0	110.2	L269 V270 Q335 N339 I342 V349 Q351	L269-Y295 HydrophobicContact CB-CD1 3.71Å; L269-Y295 HydrophobicContact CB-CG 3.99Å; L269-Y295 HydrophobicContact CD1-CG 4.32Å; V270-Y295 WeakPolarHBondContact O-CA 3.42Å; Y295-Q335 WeakPolarHBondContact O-CG 3.47Å; Y295-N339 PolarHBondContact N-OD1 3.04Å; Y295-N339 PolarHBondContact O-ND2 3.43Å; Y295-I342 HydrophobicContact CD2-CD1 4.09Å; Y295-I342 HydrophobicContact CD2-CG2 4.06Å; Y295-I342 HydrophobicContact CE2-CG2 3.89Å; Y295-V349 HydrophobicContact CD1-CG1 4.45Å; Y295-V349 HydrophobicContact CE1-CG1 3.94Å; Y295-V349 HydrophobicContact CE2-CG1 4.22Å; Y295-Q351 HydrophobicContact CE1-CB 4.4Å; Y295-Q351 HydrophobicContact CE1-CG 4.13Å; Y295-Q351 PolarHBondContact OH-OE1 2.69Å
296	N	98	Very high	97.1	Very high	6 Å²	6	26.5 Å²	26.5	3%	0.032	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	137.7	174.1	176.7	-93.7	0	0	0	110.8	L269 V270 N272 G298 Q335 N357 Q359 H380	L269-N296 WeakPolarHBondContact CD2-O 3.29Å; V270-N296 PolarHBondContact O-N 3.23Å; N272-N296 HydrophobicContact CB-CB 4.42Å; N296-G298 PolarHBondContact OD1-N 3.34Å; N296-Q335 VanDerWaalsContact CA-OE1 3.29Å; N296-Q335 PolarHBondContact ND2-OE1 2.97Å; N296-N357 PolarHBondContact OD1-ND2 3.28Å; N296-Q359 HydrophobicContact CB-CG 4.44Å; N296-H380 PolarHBondContact OD1-CE1 3.49Å; N296-H380 PolarHBondContact OD1-ND1 3.49Å
297	T	98	Very high	97.4	Very high	3 Å²	3	18.2 Å²	18.2	2%	0.018	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	13.8	-176.2	50.8	0	0	0	0	114.3	K224 L269 V299 I300 D334 Q335 F338	K224-T297 PolarHBondContact NZ-O 2.87Å; L269-T297 HydrophobicContact CD2-CG2 4.4Å; T297-V299 VanDerWaalsContact C-N 3.3Å; T297-I300 HydrophobicContact CG2-CD1 4.06Å; T297-I300 WeakPolarHBondContact O-CG1 3.38Å; T297-D334 WeakPolarHBondContact CB-OD2 3.4Å; T297-D334 PolarHBondContact OG1-OD1 2.76Å; T297-D334 PolarHBondContact OG1-OD2 3.01Å; T297-Q335 HydrophobicContact CG2-CB 4.12Å; T297-Q335 HydrophobicContact CG2-CG 3.96Å; T297-Q335 WeakPolarHBondContact OG1-CB 3.41Å; T297-F338 HydrophobicContact CG2-CB 3.92Å; T297-F338 HydrophobicContact CG2-CD2 3.71Å; T297-F338 HydrophobicContact CG2-CE2 4.4Å; T297-F338 HydrophobicContact CG2-CG 3.87Å
298	G	97.3	Very high	97.5	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	-18.7	176.2	0	0	0	0	0	114.7	L241 D242 N296	L241-G298 WeakPolarHBondContact CA-O 3.4Å; D242-G298 PolarHBondContact N-O 2.87Å; D242-G298 WeakPolarHBondContact OD2-CA 3.24Å; N296-G298 PolarHBondContact OD1-N 3.34Å
299	V	98.7	Very high	97.6	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	115.4	169.7	-178.2	0	0	0	0	107.8	V240 L241 I245 L254 T297 N357 V378	V240-V299 WeakPolarHBondContact O-CA 3.27Å; L241-V299 HydrophobicContact CD2-CB 4.44Å; L241-V299 HydrophobicContact CD2-CG1 4.15Å; L241-V299 HydrophobicContact CD2-CG2 4.06Å; I245-V299 HydrophobicContact CD1-CG2 3.85Å; L254-V299 HydrophobicContact CD2-CG1 3.79Å; T297-V299 VanDerWaalsContact C-N 3.3Å; V299-N357 HydrophobicContact CB-CB 4.21Å; V299-N357 HydrophobicContact CG2-CB 4.01Å; V299-V378 HydrophobicContact CG2-CG1 3.98Å
300	I	98.8	Very high	97.6	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	133.7	-179.3	-37.5	178.2	0	0	0	109.8	K224 I239 V240 G268 L269 T297 L302 F338	K224-I300 HydrophobicContact CD-CD1 4.08Å; I239-I300 CarbonylContact C-O 3.55Å; I239-I300 WeakPolarHBondContact CA-O 3.33Å; V240-I300 HydrophobicContact CB-CB 3.94Å; V240-I300 HydrophobicContact CB-CD1 4.28Å; V240-I300 HydrophobicContact CB-CG1 4.17Å; V240-I300 HydrophobicContact CG1-CD1 4.48Å; V240-I300 HydrophobicContact CG2-CB 4.19Å; V240-I300 PolarHBondContact N-O 3.48Å; V240-I300 PolarHBondContact O-N 2.96Å; G268-I300 WeakPolarHBondContact O-CA 3.41Å; L269-I300 HydrophobicContact CD2-CB 4.03Å; L269-I300 HydrophobicContact CD2-CD1 4.49Å; L269-I300 HydrophobicContact CD2-CG1 3.77Å; L269-I300 HydrophobicContact CD2-CG2 3.69Å; L269-I300 HydrophobicContact CG-CG2 4.23Å; T297-I300 HydrophobicContact CG2-CD1 4.06Å; T297-I300 WeakPolarHBondContact O-CG1 3.38Å; I300-L302 HydrophobicContact CB-CG 4.48Å; I300-L302 HydrophobicContact CG2-CD2 3.42Å; I300-L302 VanDerWaalsContact CG2-CD2 3.42Å; I300-L302 HydrophobicContact CG2-CG 3.83Å; I300-F338 HydrophobicContact CD1-CE2 4.27Å; I300-F338 HydrophobicContact CD1-CZ 4.14Å
301	L	98.8	Very high	97.5	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	118.5	163.8	-57.8	-173.1	0	0	0	108.7	I239 L254 V257 F258 F261 L267 G268 L352	I239-L301 HydrophobicContact CB-CD2 4.33Å; I239-L301 HydrophobicContact CD1-CD2 4.42Å; I239-L301 HydrophobicContact CG1-CD2 3.63Å; I239-L301 HydrophobicContact CG2-CD2 4.29Å; L254-L301 HydrophobicContact CD1-CD1 4.16Å; L254-L301 HydrophobicContact CD1-CD2 3.98Å; L254-L301 HydrophobicContact CD1-CG 4.34Å; L254-L301 HydrophobicContact CD2-CD2 4.45Å; L254-L301 HydrophobicContact CG-CD2 3.93Å; V257-L301 HydrophobicContact CB-CD1 3.83Å; V257-L301 HydrophobicContact CG1-CD1 3.99Å; F258-L301 HydrophobicContact CD1-CB 4.35Å; F258-L301 HydrophobicContact CE1-CB 3.65Å; F258-L301 HydrophobicContact CE2-CB 4.25Å; F258-L301 HydrophobicContact CE2-CD2 4Å; F258-L301 HydrophobicContact CZ-CB 3.59Å; F258-L301 HydrophobicContact CZ-CD2 4.12Å; F258-L301 HydrophobicContact CZ-CG 4.36Å; F261-L301 HydrophobicContact CE1-CD1 4.19Å; F261-L301 HydrophobicContact CZ-CB 3.85Å; F261-L301 HydrophobicContact CZ-CD1 4.17Å; L267-L301 CarbonylContact C-O 3.4Å; L267-L301 WeakPolarHBondContact CA-O 3.01Å; G268-L301 PolarHBondContact N-O 2.83Å; G268-L301 PolarHBondContact O-N 3.02Å; L301-L352 HydrophobicContact CD1-CD1 4.41Å; L301-L352 HydrophobicContact CD1-CD2 3.89Å; L301-L352 HydrophobicContact CG-CD1 4.28Å
302	L	98.6	Very high	97.6	Very high	4 Å²	4	33.3 Å²	33.3	2%	0.021	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	124.6	-179.4	-63.6	-177.5	0	0	0	111.2	L227 R237 V238 V240 L267 I300 L304 L307	L227-L302 HydrophobicContact CB-CD1 4.38Å; L227-L302 HydrophobicContact CD1-CD1 3.88Å; R237-L302 VanDerWaalsContact CA-O 3.23Å; R237-L302 WeakPolarHBondContact CA-O 3.26Å; V238-L302 HydrophobicContact CG1-CB 3.94Å; V238-L302 HydrophobicContact CG1-CD1 4.3Å; V238-L302 PolarHBondContact N-O 3.36Å; V238-L302 PolarHBondContact O-N 3.45Å; V240-L302 HydrophobicContact CG2-CD1 3.46Å; V240-L302 VanDerWaalsContact CG2-CD1 3.46Å; V240-L302 HydrophobicContact CG2-CG 3.85Å; L267-L302 HydrophobicContact CD2-CD2 3.26Å; I300-L302 HydrophobicContact CB-CG 4.48Å; I300-L302 HydrophobicContact CG2-CD2 3.42Å; I300-L302 VanDerWaalsContact CG2-CD2 3.42Å; I300-L302 HydrophobicContact CG2-CG 3.83Å; L302-L304 HydrophobicContact CB-CD2 4.18Å; L302-L304 HydrophobicContact CB-CG 4.5Å; L302-L304 HydrophobicContact CD1-CD2 4.28Å; L302-L304 PolarHBondContact O-N 2.95Å; L302-L307 HydrophobicContact CB-CD1 4.1Å; L302-L307 HydrophobicContact CD2-CD1 3.85Å; L302-L307 HydrophobicContact CG-CD1 4.47Å
303	L	98.4	Very high	97.6	Very high	16 Å²	16	32.8 Å²	32.8	8%	0.084	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	88.5	162	-67.6	-176.1	0	0	0	109.1	E236 R237 F258 F261 V266 D305 K306 L307	E236-L303 CarbonylContact O-C 3.54Å; R237-L303 HydrophobicContact CB-CD2 3.85Å; F258-L303 HydrophobicContact CD1-CD2 3.39Å; F258-L303 HydrophobicContact CD1-CG 3.98Å; F258-L303 HydrophobicContact CE1-CD2 3.64Å; F258-L303 HydrophobicContact CE1-CG 4.04Å; F258-L303 HydrophobicContact CG-CD2 4.33Å; F261-L303 HydrophobicContact CB-CD1 4.48Å; F261-L303 HydrophobicContact CD2-CD1 3.69Å; F261-L303 HydrophobicContact CD2-CG 4.03Å; F261-L303 HydrophobicContact CE2-CD1 4.39Å; F261-L303 HydrophobicContact CE2-CG 4.25Å; V266-L303 HydrophobicContact CB-CB 4.31Å; V266-L303 HydrophobicContact CG1-CB 4.42Å; V266-L303 PolarHBondContact O-N 2.83Å; L303-D305 PolarHBondContact O-N 3.37Å; L303-K306 HydrophobicContact CB-CB 4.3Å; L303-K306 HydrophobicContact CB-CD 4.41Å; L303-K306 HydrophobicContact CD1-CD 3.82Å; L303-K306 PolarHBondContact O-N 3.18Å; L303-L307 WeakPolarHBondContact O-CB 3.34Å; L303-L307 VanDerWaalsContact O-CG 3.29Å; L303-L307 WeakPolarHBondContact O-CG 3.46Å; L303-L307 PolarHBondContact O-N 3.06Å
304	L	98.3	Very high	97.7	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-61.1	-41.8	-173.6	-65.4	172.7	0	0	0	112.5	T228 L231 L235 E236 V238 L302 K306 L307 R308	T228-L304 HydrophobicContact CG2-CD2 4.04Å; L231-L304 HydrophobicContact CB-CD1 4.26Å; L231-L304 HydrophobicContact CD1-CD1 3.81Å; L231-L304 HydrophobicContact CD1-CD2 4.36Å; L235-L304 HydrophobicContact CB-CD1 4.18Å; L235-L304 HydrophobicContact CD2-CD1 3.73Å; L235-L304 HydrophobicContact CG-CD1 3.77Å; L235-L304 WeakPolarHBondContact O-CB 3.49Å; E236-L304 PolarHBondContact O-N 3.28Å; V238-L304 HydrophobicContact CB-CD1 4.13Å; V238-L304 HydrophobicContact CG1-CD1 3.74Å; V238-L304 HydrophobicContact CG1-CD2 4.04Å; V238-L304 HydrophobicContact CG1-CG 3.91Å; L302-L304 HydrophobicContact CB-CD2 4.18Å; L302-L304 HydrophobicContact CB-CG 4.5Å; L302-L304 HydrophobicContact CD1-CD2 4.28Å; L302-L304 PolarHBondContact O-N 2.95Å; L304-K306 VanDerWaalsContact C-N 3.35Å; L304-K306 PolarHBondContact O-N 3.16Å; L304-L307 PolarHBondContact O-N 3.36Å; L304-R308 WeakPolarHBondContact O-CB 3.37Å; L304-R308 WeakPolarHBondContact O-CG 3.37Å; L304-R308 PolarHBondContact O-N 3.18Å
305	D	96	Very high	97.7	Very high	37 Å²	37	36.5 Å²	36.5	20%	0.198	16%	0.164	C	C	.	.	H	α-helix	trans	-61.8	-44.2	-178.5	80.1	-56.5	0	0	0	111.3	E236 L303 K309	E236-D305 HydrophobicContact CB-CB 4.43Å; E236-D305 HydrophobicContact CG-CB 4.47Å; E236-D305 PolarHBondContact O-N 2.92Å; L303-D305 PolarHBondContact O-N 3.37Å; D305-K309 WeakPolarHBondContact O-CD 3.23Å; D305-K309 VanDerWaalsContact O-CG 3.29Å; D305-K309 WeakPolarHBondContact O-CG 3.16Å; D305-K309 PolarHBondContact O-N 2.83Å; D305-K309 VanDerWaalsContact O-N 3.12Å; D305-K309 IonicContact OD2-NZ 3.6Å; D305-K309 PolarHBondContact OD2-NZ 3.12Å
306	K	97.2	Very high	97.7	Very high	75 Å²	75	35.4 Å²	35.4	33%	0.326	16%	0.16	S	C	.	.	H	α-helix	trans	-69.8	-43.4	177.1	-66.4	-174.6	-173.5	177.7	0	111	V266 L303 L304 R308 K309 M310	V266-K306 HydrophobicContact CG1-CB 3.46Å; V266-K306 VanDerWaalsContact CG1-CB 3.46Å; V266-K306 HydrophobicContact CG1-CD 3.86Å; V266-K306 HydrophobicContact CG1-CG 4.32Å; L303-K306 HydrophobicContact CB-CB 4.3Å; L303-K306 HydrophobicContact CB-CD 4.41Å; L303-K306 HydrophobicContact CD1-CD 3.82Å; L303-K306 PolarHBondContact O-N 3.18Å; L304-K306 VanDerWaalsContact C-N 3.35Å; L304-K306 PolarHBondContact O-N 3.16Å; K306-R308 VanDerWaalsContact C-N 3.32Å; K306-R308 PolarHBondContact O-N 3.33Å; K306-K309 WeakPolarHBondContact O-CB 3.48Å; K306-K309 PolarHBondContact O-N 3.39Å; K306-M310 WeakPolarHBondContact O-CB 3.3Å; K306-M310 VanDerWaalsContact O-CG 3.22Å; K306-M310 WeakPolarHBondContact O-CG 3.46Å; K306-M310 PolarHBondContact O-N 3.31Å
307	L	97.9	Very high	97.7	Very high	2 Å²	2	37.9 Å²	37.9	1%	0.01	17%	0.169	C	C	.	.	H	α-helix	trans	-59.5	-41.3	176.4	-76.7	165.7	0	0	0	112.4	T228 V266 L267 L302 L303 L304 M310 K311 W312	T228-L307 HydrophobicContact CG2-CB 3.76Å; T228-L307 HydrophobicContact CG2-CD1 4.24Å; V266-L307 HydrophobicContact CB-CD2 4.16Å; V266-L307 HydrophobicContact CB-CG 4.07Å; V266-L307 HydrophobicContact CG2-CD2 3.62Å; V266-L307 HydrophobicContact CG2-CG 4.11Å; L267-L307 HydrophobicContact CD2-CD1 4.03Å; L267-L307 HydrophobicContact CD2-CD2 4.14Å; L302-L307 HydrophobicContact CB-CD1 4.1Å; L302-L307 HydrophobicContact CD2-CD1 3.85Å; L302-L307 HydrophobicContact CG-CD1 4.47Å; L303-L307 WeakPolarHBondContact O-CB 3.34Å; L303-L307 VanDerWaalsContact O-CG 3.29Å; L303-L307 WeakPolarHBondContact O-CG 3.46Å; L303-L307 PolarHBondContact O-N 3.06Å; L304-L307 PolarHBondContact O-N 3.36Å; L307-M310 CarbonylContact O-C 3.48Å; L307-M310 PolarHBondContact O-N 3.25Å; L307-K311 PolarHBondContact O-N 3.28Å; L307-W312 HydrophobicContact CB-CB 4.03Å; L307-W312 HydrophobicContact CD2-CB 4.13Å; L307-W312 HydrophobicContact CD2-CD2 3.91Å; L307-W312 HydrophobicContact CD2-CE3 3.63Å; L307-W312 HydrophobicContact CD2-CG 4.12Å; L307-W312 HydrophobicContact CD2-CZ3 4.34Å; L307-W312 WeakPolarHBondContact O-CB 3.37Å; L307-W312 PolarHBondContact O-N 2.96Å
308	R	97.6	Very high	97.7	Very high	64 Å²	64	42.6 Å²	42.6	24%	0.242	19%	0.193	C	C	.	.	H	α-helix	trans	-61.2	-47.5	173.8	-72.4	170	-174.3	137.2	3.6	111.3	T228 L231 P232 A233 L235 L304 K306 M310 K311	T228-R308 PolarHBondContact O-NE 3.2Å; T228-R308 PolarHBondContact O-NH2 3.29Å; L231-R308 PolarHBondContact O-NH2 3.02Å; P232-R308 PolarHBondContact O-NH1 3.16Å; P232-R308 PolarHBondContact O-NH2 3.29Å; A233-R308 PolarHBondContact O-NH1 3.3Å; L235-R308 PolarHBondContact O-NH1 3.48Å; L304-R308 WeakPolarHBondContact O-CB 3.37Å; L304-R308 WeakPolarHBondContact O-CG 3.37Å; L304-R308 PolarHBondContact O-N 3.18Å; K306-R308 VanDerWaalsContact C-N 3.32Å; K306-R308 PolarHBondContact O-N 3.33Å; R308-M310 VanDerWaalsContact C-N 3.25Å; R308-M310 PolarHBondContact O-N 3.21Å; R308-K311 PolarHBondContact O-N 2.63Å
309	K	96.7	Very high	97.7	Very high	158 Å²	158	42.7 Å²	42.7	69%	0.687	19%	0.194	S	C	*	.	H	α-helix	trans	-59.9	-36.1	175.7	-69.8	163.2	-172.5	158.7	0	112.2	D305 K306 K311	D305-K309 WeakPolarHBondContact O-CD 3.23Å; D305-K309 VanDerWaalsContact O-CG 3.29Å; D305-K309 WeakPolarHBondContact O-CG 3.16Å; D305-K309 PolarHBondContact O-N 2.83Å; D305-K309 VanDerWaalsContact O-N 3.12Å; D305-K309 IonicContact OD2-NZ 3.6Å; D305-K309 PolarHBondContact OD2-NZ 3.12Å; K306-K309 WeakPolarHBondContact O-CB 3.48Å; K306-K309 PolarHBondContact O-N 3.39Å; K309-K311 PolarHBondContact O-N 3.24Å
310	M	96.2	Very high	97.6	Very high	57 Å²	57	42.7 Å²	42.7	28%	0.281	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.5	3.6	177.7	-66.2	-178.3	75.9	0	0	113.9	V266 K306 L307 R308 W312 L348	V266-M310 HydrophobicContact CG1-SD 4.06Å; V266-M310 HydrophobicContact CG2-SD 4.36Å; K306-M310 WeakPolarHBondContact O-CB 3.3Å; K306-M310 VanDerWaalsContact O-CG 3.22Å; K306-M310 WeakPolarHBondContact O-CG 3.46Å; K306-M310 PolarHBondContact O-N 3.31Å; L307-M310 CarbonylContact O-C 3.48Å; L307-M310 PolarHBondContact O-N 3.25Å; R308-M310 VanDerWaalsContact C-N 3.25Å; R308-M310 PolarHBondContact O-N 3.21Å; M310-W312 VanDerWaalsContact C-N 3.34Å; M310-W312 PolarHBondContact O-N 3.05Å; M310-L348 HydrophobicContact CE-CD2 3.27Å; M310-L348 HydrophobicContact SD-CD2 4.09Å
311	K	97.1	Very high	97.5	Very high	141 Å²	141	47.7 Å²	47.7	61%	0.613	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.7	46.7	179.1	-69.1	-173.7	-177.4	-178.1	0	112	L307 R308 K309 E313 Q314 M315	L307-K311 PolarHBondContact O-N 3.28Å; R308-K311 PolarHBondContact O-N 2.63Å; K309-K311 PolarHBondContact O-N 3.24Å; K311-E313 PolarHBondContact O-N 2.98Å; K311-Q314 HydrophobicContact CB-CB 4.39Å; K311-Q314 PolarHBondContact O-N 3.07Å; K311-Q314 VanDerWaalsContact O-N 3.07Å; K311-Q314 PolarHBondContact O-OE1 3.49Å; K311-M315 PolarHBondContact O-N 2.92Å
312	W	97.5	Very high	97.4	Very high	6 Å²	6	53.6 Å²	53.6	2%	0.023	24%	0.24	C	C	.	.	H	α-helix	trans	-47.9	-43.8	179.9	172.9	-106.8	0	0	0	113	L225 T228 L267 L307 M310 Q314 M315 W316 F338 V341	L225-W312 PolarHBondContact O-NE1 3.4Å; T228-W312 HydrophobicContact CG2-CB 4.22Å; T228-W312 HydrophobicContact CG2-CG 4.13Å; L267-W312 HydrophobicContact CD1-CH2 4.3Å; L267-W312 HydrophobicContact CD1-CZ3 4.23Å; L307-W312 HydrophobicContact CB-CB 4.03Å; L307-W312 HydrophobicContact CD2-CB 4.13Å; L307-W312 HydrophobicContact CD2-CD2 3.91Å; L307-W312 HydrophobicContact CD2-CE3 3.63Å; L307-W312 HydrophobicContact CD2-CG 4.12Å; L307-W312 HydrophobicContact CD2-CZ3 4.34Å; L307-W312 WeakPolarHBondContact O-CB 3.37Å; L307-W312 PolarHBondContact O-N 2.96Å; M310-W312 VanDerWaalsContact C-N 3.34Å; M310-W312 PolarHBondContact O-N 3.05Å; W312-Q314 PolarHBondContact O-N 3.1Å; W312-M315 HydrophobicContact CE3-SD 4.3Å; W312-M315 HydrophobicContact CZ3-SD 4.45Å; W312-M315 WeakPolarHBondContact O-CB 3.38Å; W312-M315 PolarHBondContact O-N 3.41Å; W312-M315 VanDerWaalsContact O-N 3.1Å; W312-W316 AromaticContact CD1-CD1 3.68Å; W312-W316 AromaticContact CE2-CD1 3.86Å; W312-W316 HydrophobicContact CZ2-CB 4.26Å; W312-W316 AromaticContact NE1-CD1 3.43Å; W312-W316 PolarHBondContact O-N 3.04Å; W312-F338 AromaticContact CH2-CD1 3.64Å; W312-F338 HydrophobicContact CH2-CD1 3.64Å; W312-F338 AromaticContact CH2-CE1 3.61Å; W312-F338 HydrophobicContact CH2-CE1 3.61Å; W312-F338 HydrophobicContact CH2-CG 4.45Å; W312-F338 HydrophobicContact CH2-CZ 4.41Å; W312-F338 AromaticContact CZ2-CD1 3.79Å; W312-F338 HydrophobicContact CZ2-CD1 3.79Å; W312-F338 AromaticContact CZ2-CE1 3.38Å; W312-F338 HydrophobicContact CZ2-CE1 3.38Å; W312-F338 HydrophobicContact CZ2-CE2 4.43Å; W312-F338 HydrophobicContact CZ2-CG 4.47Å; W312-F338 AromaticContact CZ2-CZ 3.74Å; W312-F338 HydrophobicContact CZ2-CZ 3.74Å; W312-V341 HydrophobicContact CH2-CB 4.37Å; W312-V341 HydrophobicContact CH2-CG1 4.14Å; W312-V341 HydrophobicContact CH2-CG2 4.47Å; W312-V341 HydrophobicContact CZ3-CB 4.39Å; W312-V341 HydrophobicContact CZ3-CG1 3.66Å
313	E	96.5	Very high	97.4	Very high	42 Å²	42	55.2 Å²	55.2	20%	0.196	25%	0.247	C	C	.	.	H	α-helix	trans	-56.3	-48.1	179.1	-172	-178.8	170.4	0	0	112.3	K229 K311 M315 R317	K229-E313 IonicContact NZ-OE1 3.6Å; K311-E313 PolarHBondContact O-N 2.98Å; E313-M315 VanDerWaalsContact C-N 3.35Å; E313-R317 WeakPolarHBondContact O-CB 3.37Å; E313-R317 VanDerWaalsContact O-CG 3.24Å; E313-R317 WeakPolarHBondContact O-CG 3.43Å; E313-R317 PolarHBondContact O-N 3.2Å; E313-R317 IonicContact OE1-CZ 2.88Å; E313-R317 VanDerWaalsContact OE1-CZ 3.28Å; E313-R317 IonicContact OE1-NH1 3.97Å; E313-R317 PolarHBondContact OE1-NH1 3.39Å; E313-R317 IonicContact OE1-NH2 3.66Å; E313-R317 PolarHBondContact OE1-NH2 3.01Å
314	Q	97.7	Very high	97.3	Very high	91 Å²	91	56.2 Å²	56.2	43%	0.425	25%	0.252	S	S	.	.	H	α-helix	trans	-67.4	-38.6	176.4	-64.9	80.2	10.1	0	0	111.3	K311 W312 R317 L318	K311-Q314 HydrophobicContact CB-CB 4.39Å; K311-Q314 PolarHBondContact O-N 3.07Å; K311-Q314 VanDerWaalsContact O-N 3.07Å; K311-Q314 PolarHBondContact O-OE1 3.49Å; W312-Q314 PolarHBondContact O-N 3.1Å; Q314-R317 PolarHBondContact O-N 3.23Å; Q314-L318 WeakPolarHBondContact O-CB 3.28Å; Q314-L318 VanDerWaalsContact O-CG 3.28Å; Q314-L318 WeakPolarHBondContact O-CG 3.43Å; Q314-L318 PolarHBondContact O-N 3.22Å
315	M	97.8	Very high	97	Very high	41 Å²	41	63.9 Å²	63.9	20%	0.202	29%	0.29	C	S	.	.	H	α-helix	trans	-62.4	-49.7	-177.8	-174.7	-178.6	-66.3	0	0	112.5	K311 W312 E313 T319 V341 L348	K311-M315 PolarHBondContact O-N 2.92Å; W312-M315 HydrophobicContact CE3-SD 4.3Å; W312-M315 HydrophobicContact CZ3-SD 4.45Å; W312-M315 WeakPolarHBondContact O-CB 3.38Å; W312-M315 PolarHBondContact O-N 3.41Å; W312-M315 VanDerWaalsContact O-N 3.1Å; E313-M315 VanDerWaalsContact C-N 3.35Å; M315-T319 WeakPolarHBondContact O-CB 3.41Å; M315-T319 PolarHBondContact O-N 3.04Å; M315-T319 PolarHBondContact O-OG1 3.45Å; M315-V341 HydrophobicContact CG-CG1 3.84Å; M315-V341 HydrophobicContact SD-CG1 3.54Å; M315-V341 VanDerWaalsContact SD-CG1 3.54Å; M315-L348 HydrophobicContact SD-CD1 3.99Å
316	W	97.9	Very high	96.7	Very high	1 Å²	1	64.2 Å²	64.2	0%	0.004	30%	0.303	C	S	.	.	H	α-helix	trans	-72.1	-35.5	-179.5	75.6	-109.7	0	0	0	111.6	V208 W210 I211 L225 V226 W312 T319 A320 I337 V341	V208-W316 HydrophobicContact CG1-CH2 4.16Å; W210-W316 HydrophobicContact CH2-CZ3 4.45Å; W210-W316 HydrophobicContact CZ2-CH2 4.12Å; W210-W316 AromaticContact CZ2-CZ3 3.66Å; W210-W316 HydrophobicContact CZ2-CZ3 3.66Å; I211-W316 HydrophobicContact CD1-CH2 4.27Å; I211-W316 HydrophobicContact CD1-CZ3 3.68Å; L225-W316 HydrophobicContact CB-CD2 4.18Å; L225-W316 HydrophobicContact CB-CZ2 4.3Å; L225-W316 HydrophobicContact CD1-CD2 4.47Å; L225-W316 HydrophobicContact CD1-CE3 4.1Å; L225-W316 HydrophobicContact CD1-CZ3 4.24Å; L225-W316 HydrophobicContact CD2-CB 4.5Å; L225-W316 HydrophobicContact CD2-CD2 4.48Å; L225-W316 HydrophobicContact CD2-CG 4.38Å; L225-W316 PolarHBondContact O-NE1 3.27Å; L225-W316 VanDerWaalsContact O-NE1 3.15Å; V226-W316 HydrophobicContact CG1-CZ2 4.13Å; W312-W316 AromaticContact CD1-CD1 3.68Å; W312-W316 AromaticContact CE2-CD1 3.86Å; W312-W316 HydrophobicContact CZ2-CB 4.26Å; W312-W316 AromaticContact NE1-CD1 3.43Å; W312-W316 PolarHBondContact O-N 3.04Å; W316-T319 PolarHBondContact O-N 3.1Å; W316-A320 HydrophobicContact CE3-CB 4.41Å; W316-A320 WeakPolarHBondContact O-CB 3Å; W316-A320 PolarHBondContact O-N 3.2Å; W316-I337 HydrophobicContact CB-CG2 3.93Å; W316-I337 HydrophobicContact CE3-CG2 4.33Å; W316-V341 HydrophobicContact CB-CG2 4.07Å
317	R	98	Very high	96.3	Very high	58 Å²	58	61.9 Å²	61.9	22%	0.219	29%	0.293	C	S	.	.	H	α-helix	trans	-60.8	-53.6	177	-80.1	-174	169.8	143	9.8	112.3	E207 W210 E313 Q314 T319 A320 E321	E207-R317 IonicContact OE2-CZ 3.3Å; E207-R317 IonicContact OE2-NH2 2.63Å; E207-R317 PolarHBondContact OE2-NH2 3.18Å; W210-R317 HydrophobicContact CZ2-CG 4.2Å; E313-R317 WeakPolarHBondContact O-CB 3.37Å; E313-R317 VanDerWaalsContact O-CG 3.24Å; E313-R317 WeakPolarHBondContact O-CG 3.43Å; E313-R317 PolarHBondContact O-N 3.2Å; E313-R317 IonicContact OE1-CZ 2.88Å; E313-R317 VanDerWaalsContact OE1-CZ 3.28Å; E313-R317 IonicContact OE1-NH1 3.97Å; E313-R317 PolarHBondContact OE1-NH1 3.39Å; E313-R317 IonicContact OE1-NH2 3.66Å; E313-R317 PolarHBondContact OE1-NH2 3.01Å; Q314-R317 PolarHBondContact O-N 3.23Å; R317-T319 PolarHBondContact O-N 3.19Å; R317-A320 PolarHBondContact O-N 3.24Å; R317-A320 VanDerWaalsContact O-N 3.12Å; R317-E321 WeakPolarHBondContact O-CG 3.35Å; R317-E321 PolarHBondContact O-N 3.39Å
318	L	97.9	Very high	95.9	Very high	101 Å²	101	69.1 Å²	69.1	53%	0.529	33%	0.331	S	S	.	.	H	α-helix	trans	-60.6	-33.5	178.7	-70.2	172.7	0	0	0	111.9	Q314 R322	Q314-L318 WeakPolarHBondContact O-CB 3.28Å; Q314-L318 VanDerWaalsContact O-CG 3.28Å; Q314-L318 WeakPolarHBondContact O-CG 3.43Å; Q314-L318 PolarHBondContact O-N 3.22Å; L318-R322 VanDerWaalsContact O-CB 3.3Å; L318-R322 WeakPolarHBondContact O-CB 3.32Å; L318-R322 PolarHBondContact O-N 3.34Å
319	T	97.8	Very high	95.8	Very high	3 Å²	3	66.7 Å²	66.7	2%	0.018	32%	0.324	C	S	.	.	H	α-helix	trans	-68.8	-48.8	174.8	-60	0	0	0	0	111	M315 W316 R317 R322 E323 A340 V341	M315-T319 WeakPolarHBondContact O-CB 3.41Å; M315-T319 PolarHBondContact O-N 3.04Å; M315-T319 PolarHBondContact O-OG1 3.45Å; W316-T319 PolarHBondContact O-N 3.1Å; R317-T319 PolarHBondContact O-N 3.19Å; T319-R322 PolarHBondContact O-N 3.37Å; T319-E323 HydrophobicContact CG2-CG 4.36Å; T319-E323 WeakPolarHBondContact O-CG 3.48Å; T319-E323 PolarHBondContact O-N 2.9Å; T319-A340 HydrophobicContact CG2-CB 3.51Å; T319-V341 HydrophobicContact CG2-CG2 3.85Å
320	A	97.7	Very high	95.7	Very high	0 Å²	0	59.1 Å²	59.1	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-61.7	-46.5	179.1	0	0	0	0	0	111.9	W210 W316 R317 R322 E323 L324 I337	W210-A320 HydrophobicContact CH2-CB 3.78Å; W210-A320 HydrophobicContact CZ3-CB 4.5Å; W316-A320 HydrophobicContact CE3-CB 4.41Å; W316-A320 WeakPolarHBondContact O-CB 3Å; W316-A320 PolarHBondContact O-N 3.2Å; R317-A320 PolarHBondContact O-N 3.24Å; R317-A320 VanDerWaalsContact O-N 3.12Å; A320-R322 VanDerWaalsContact C-N 3.3Å; A320-R322 PolarHBondContact O-N 3.48Å; A320-E323 PolarHBondContact O-N 3.27Å; A320-L324 VanDerWaalsContact O-CB 3.23Å; A320-L324 WeakPolarHBondContact O-CB 3.26Å; A320-L324 WeakPolarHBondContact O-CD1 3.28Å; A320-L324 WeakPolarHBondContact O-CG 3.46Å; A320-L324 PolarHBondContact O-N 2.92Å; A320-I337 HydrophobicContact CB-CD1 3.92Å; A320-I337 HydrophobicContact CB-CG1 4.15Å; A320-I337 HydrophobicContact CB-CG2 4.41Å
321	E	96.7	Very high	95.6	Very high	105 Å²	105	58.5 Å²	58.5	49%	0.491	29%	0.292	S	S	.	.	H	α-helix	trans	-56.3	-44.8	175.1	-72.8	174.4	172.9	0	0	111.8	W210 R317 L324 M325	W210-E321 HydrophobicContact CH2-CG 3.78Å; W210-E321 HydrophobicContact CZ3-CG 3.84Å; R317-E321 WeakPolarHBondContact O-CG 3.35Å; R317-E321 PolarHBondContact O-N 3.39Å; E321-L324 PolarHBondContact O-N 2.97Å; E321-M325 PolarHBondContact O-N 2.88Å
322	R	96.8	Very high	95.5	Very high	123 Å²	123	53.5 Å²	53.5	46%	0.464	27%	0.272	S	S	.	.	H	α-helix	trans	-63.8	-49.8	179.4	-173.9	-169.4	-55.6	161.2	7	112.1	L318 T319 A320 L324 M325 Q344	L318-R322 VanDerWaalsContact O-CB 3.3Å; L318-R322 WeakPolarHBondContact O-CB 3.32Å; L318-R322 PolarHBondContact O-N 3.34Å; T319-R322 PolarHBondContact O-N 3.37Å; A320-R322 VanDerWaalsContact C-N 3.3Å; A320-R322 PolarHBondContact O-N 3.48Å; R322-L324 VanDerWaalsContact C-N 3.31Å; R322-L324 PolarHBondContact O-N 3.03Å; R322-M325 HydrophobicContact CB-CE 4.35Å; R322-M325 HydrophobicContact CG-CE 4.04Å; R322-M325 WeakPolarHBondContact O-CB 3.42Å; R322-M325 PolarHBondContact O-N 3.42Å; R322-Q344 VanDerWaalsContact NH1-NE2 3.15Å
323	E	96.9	Very high	95.4	Very high	39 Å²	39	53.2 Å²	53.2	18%	0.182	27%	0.271	C	S	.	.	H	α-helix	trans	-68.3	-33.1	-178.5	-63.5	-51.7	143.9	0	0	111.4	W288 P289 T319 A320 M325 G326 M327 A340	W288-E323 HydrophobicContact CE3-CB 3.83Å; W288-E323 HydrophobicContact CE3-CG 4.15Å; W288-E323 HydrophobicContact CH2-CB 3.85Å; W288-E323 HydrophobicContact CZ3-CB 3.47Å; W288-E323 VanDerWaalsContact CZ3-CB 3.47Å; W288-E323 HydrophobicContact CZ3-CG 4.04Å; P289-E323 VanDerWaalsContact CG-CD 3.45Å; P289-E323 HydrophobicContact CG-CG 3.98Å; P289-E323 WeakPolarHBondContact CG-OE2 3.49Å; T319-E323 HydrophobicContact CG2-CG 4.36Å; T319-E323 WeakPolarHBondContact O-CG 3.48Å; T319-E323 PolarHBondContact O-N 2.9Å; A320-E323 PolarHBondContact O-N 3.27Å; E323-M325 PolarHBondContact O-N 3.34Å; E323-G326 PolarHBondContact O-N 3.12Å; E323-M327 WeakPolarHBondContact O-CB 3.49Å; E323-M327 PolarHBondContact O-N 3.15Å; E323-A340 HydrophobicContact CG-CB 4.13Å
324	L	96.4	Very high	95.5	Very high	36 Å²	36	51.5 Å²	51.5	19%	0.188	26%	0.263	C	S	.	.	H	α-helix	trans	-65.9	-18.5	177.6	-76.3	169.5	0	0	0	114.1	W210 I211 W288 A320 E321 R322 G326 M327	W210-L324 HydrophobicContact CE3-CD1 4.25Å; W210-L324 HydrophobicContact CZ3-CD1 3.69Å; I211-L324 HydrophobicContact CG2-CD1 4.37Å; W288-L324 HydrophobicContact CH2-CD2 4.15Å; W288-L324 HydrophobicContact CH2-CG 4.04Å; W288-L324 HydrophobicContact CZ2-CD2 3.89Å; W288-L324 HydrophobicContact CZ2-CG 4.27Å; A320-L324 VanDerWaalsContact O-CB 3.23Å; A320-L324 WeakPolarHBondContact O-CB 3.26Å; A320-L324 WeakPolarHBondContact O-CD1 3.28Å; A320-L324 WeakPolarHBondContact O-CG 3.46Å; A320-L324 PolarHBondContact O-N 2.92Å; E321-L324 PolarHBondContact O-N 2.97Å; R322-L324 VanDerWaalsContact C-N 3.31Å; R322-L324 PolarHBondContact O-N 3.03Å; L324-G326 VanDerWaalsContact C-N 3.25Å; L324-G326 PolarHBondContact O-N 2.77Å; L324-M327 CarbonylContact C-O 3.54Å; L324-M327 VanDerWaalsContact CA-O 3.23Å; L324-M327 WeakPolarHBondContact CA-O 3.22Å; L324-M327 WeakPolarHBondContact CD2-O 3.45Å; L324-M327 VanDerWaalsContact O-O 3.04Å
325	M	93.1	Very high	95.5	Very high	161 Å²	161	47.8 Å²	47.8	79%	0.793	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.5	-30	170.9	-66.7	-169.1	-80.7	0	0	112.5	E321 R322 E323	E321-M325 PolarHBondContact O-N 2.88Å; R322-M325 HydrophobicContact CB-CE 4.35Å; R322-M325 HydrophobicContact CG-CE 4.04Å; R322-M325 WeakPolarHBondContact O-CB 3.42Å; R322-M325 PolarHBondContact O-N 3.42Å; E323-M325 PolarHBondContact O-N 3.34Å
326	G	90.3	Very high	95.5	Very high	45 Å²	45	45.9 Å²	45.9	46%	0.464	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-109.6	-26.4	-179.5	0	0	0	0	0	114.2	E323 L324	E323-G326 PolarHBondContact O-N 3.12Å; L324-G326 VanDerWaalsContact C-N 3.25Å; L324-G326 PolarHBondContact O-N 2.77Å
327	M	88.8	Confident	95.5	Very high	25 Å²	25	45.8 Å²	45.8	12%	0.123	24%	0.236	C	C	.	.			trans	-108	122	178.8	-58.9	-62.9	-170.7	0	0	109	R286 P287 W288 E323 L324 S329	R286-M327 HydrophobicContact CG-CE 4.08Å; R286-M327 HydrophobicContact CG-SD 4.29Å; P287-M327 WeakPolarHBondContact O-CE 3.32Å; W288-M327 HydrophobicContact CZ2-CB 4.11Å; E323-M327 WeakPolarHBondContact O-CB 3.49Å; E323-M327 PolarHBondContact O-N 3.15Å; L324-M327 CarbonylContact C-O 3.54Å; L324-M327 VanDerWaalsContact CA-O 3.23Å; L324-M327 WeakPolarHBondContact CA-O 3.22Å; L324-M327 WeakPolarHBondContact CD2-O 3.45Å; L324-M327 VanDerWaalsContact O-O 3.04Å; M327-S329 VanDerWaalsContact C-N 3.25Å; M327-S329 PolarHBondContact O-N 2.72Å
328	L	88.4	Confident	95.5	Very high	155 Å²	155	43.1 Å²	43.1	81%	0.812	23%	0.226	S	C	*	.	S	Bend	trans	-69.4	-20.9	-174.6	-63.8	172.1	0	0	0	114.5
329	S	95	Very high	95.6	Very high	12 Å²	12	38.3 Å²	38.3	8%	0.084	20%	0.201	C	C	.	.	S	Bend	trans	-166.9	159.2	-176.2	61.8	0	0	0	0	111.1	P212 K214 W288 M327	P212-S329 CarbonylContact O-C 3.38Å; P212-S329 VanDerWaalsContact O-CA 3.23Å; P212-S329 WeakPolarHBondContact O-CA 3.42Å; P212-S329 VanDerWaalsContact O-CB 3.31Å; P212-S329 WeakPolarHBondContact O-CB 3.44Å; K214-S329 VanDerWaalsContact CD-OG 3.3Å; K214-S329 WeakPolarHBondContact CD-OG 3.37Å; K214-S329 WeakPolarHBondContact CE-OG 3.37Å; K214-S329 PolarHBondContact NZ-OG 2.7Å; W288-S329 PolarHBondContact NE1-O 2.64Å; M327-S329 VanDerWaalsContact C-N 3.25Å; M327-S329 PolarHBondContact O-N 2.72Å
330	T	95.8	Very high	95.6	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	20%	0.2	C	C	.	.	B	Isolated β-bridge	trans	-71.1	149.4	161.3	57.2	0	0	0	0	110.3	I211 P212 N213 K214 W288 D336 I337	I211-T330 HydrophobicContact CG2-CG2 3.96Å; P212-T330 PolarHBondContact O-N 3.07Å; P212-T330 PolarHBondContact O-OG1 2.76Å; N213-T330 WeakPolarHBondContact CA-OG1 3.48Å; N213-T330 WeakPolarHBondContact CB-OG1 3.43Å; N213-T330 PolarHBondContact OD1-OG1 2.78Å; N213-T330 VanDerWaalsContact OD1-OG1 3.1Å; K214-T330 PolarHBondContact N-O 3.45Å; W288-T330 HydrophobicContact CH2-CG2 3.77Å; W288-T330 HydrophobicContact CZ2-CG2 3.49Å; W288-T330 VanDerWaalsContact CZ2-CG2 3.49Å; W288-T330 HydrophobicContact CZ3-CG2 4.41Å; T330-D336 HydrophobicContact CG2-CB 4.22Å; T330-I337 HydrophobicContact CG2-CD1 4.02Å; T330-I337 HydrophobicContact CG2-CG1 4.08Å
331	S	93.6	Very high	95.6	Very high	43 Å²	43	38.1 Å²	38.1	30%	0.301	20%	0.2	S	C	.	.	S	Bend	trans	-111.7	-35.1	176.2	-58.8	0	0	0	0	111.6	H215 D336	H215-S331 PolarHBondContact CD2-O 2.82Å; S331-D336 PolarHBondContact N-OD2 3.22Å
332	L	94.5	Very high	95.7	Very high	36 Å²	36	33.1 Å²	33.1	19%	0.188	18%	0.176	C	C	.	.	S	Bend	trans	-112.9	35.7	176	-56.2	-176.4	0	0	0	111.5	W276 Y277 D334 Q335 D336	W276-L332 HydrophobicContact CD2-CD1 3.94Å; W276-L332 HydrophobicContact CG-CD1 3.9Å; W276-L332 HydrophobicContact CH2-CD2 4.47Å; W276-L332 HydrophobicContact CZ2-CD1 4.29Å; W276-L332 HydrophobicContact CZ2-CD2 4.17Å; W276-L332 HydrophobicContact CZ2-CG 4Å; W276-L332 VanDerWaalsContact NE1-CD1 3.33Å; Y277-L332 HydrophobicContact CE2-CD1 4.34Å; L332-D334 PolarHBondContact O-N 2.97Å; L332-Q335 HydrophobicContact CB-CB 4.03Å; L332-Q335 WeakPolarHBondContact O-CB 3.33Å; L332-Q335 PolarHBondContact O-N 2.81Å; L332-D336 PolarHBondContact N-OD2 3.44Å
333	A	96.1	Very high	95.8	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	49.7	-124.7	175.5	0	0	0	0	0	114.2	H215 G221 L222 Q335 D336	H215-A333 HydrophobicContact CB-CB 3.82Å; G221-A333 WeakPolarHBondContact O-CB 3.31Å; L222-A333 HydrophobicContact CD2-CB 4.25Å; A333-Q335 VanDerWaalsContact C-N 3.25Å; A333-Q335 PolarHBondContact O-N 2.95Å; A333-D336 PolarHBondContact O-N 3.25Å
334	D	97.7	Very high	95.8	Very high	7 Å²	7	33.6 Å²	33.6	4%	0.037	18%	0.182	C	C	.	.	H	α-helix	trans	-60	-34.7	179	66	-40.3	0	0	0	112.5	G221 K224 L225 T297 L332 D336 I337 F338	G221-D334 VanDerWaalsContact O-CB 3.28Å; G221-D334 WeakPolarHBondContact O-CB 3.5Å; G221-D334 VanDerWaalsContact O-CG 3.28Å; G221-D334 PolarHBondContact O-N 2.88Å; G221-D334 VanDerWaalsContact O-OD1 3.1Å; K224-D334 HydrophobicContact CB-CB 4.4Å; K224-D334 WeakPolarHBondContact CB-OD2 3.29Å; K224-D334 VanDerWaalsContact CD-OD2 3.26Å; K224-D334 WeakPolarHBondContact CD-OD2 3.22Å; K224-D334 IonicContact NZ-OD2 3.91Å; L225-D334 HydrophobicContact CD2-CB 4.34Å; L225-D334 HydrophobicContact CG-CB 4.04Å; T297-D334 WeakPolarHBondContact CB-OD2 3.4Å; T297-D334 PolarHBondContact OG1-OD1 2.76Å; T297-D334 PolarHBondContact OG1-OD2 3.01Å; L332-D334 PolarHBondContact O-N 2.97Å; D334-D336 PolarHBondContact O-N 3.33Å; D334-I337 PolarHBondContact O-N 2.79Å; D334-F338 HydrophobicContact CB-CD2 4.19Å; D334-F338 HydrophobicContact CB-CE2 4.32Å; D334-F338 WeakPolarHBondContact O-CD2 3.29Å; D334-F338 PolarHBondContact O-N 3.33Å
335	Q	98	Very high	95.8	Very high	13 Å²	13	33.6 Å²	33.6	6%	0.061	18%	0.182	C	C	.	.	H	α-helix	trans	-55.8	-40.7	-177.6	-161.7	-177	-86.5	0	0	112	Y277 Y295 N296 T297 L332 A333 I337 N339	Y277-Q335 PolarHBondContact OH-NE2 3.31Å; Y277-Q335 VanDerWaalsContact OH-NE2 3.08Å; Y295-Q335 WeakPolarHBondContact O-CG 3.47Å; N296-Q335 VanDerWaalsContact CA-OE1 3.29Å; N296-Q335 PolarHBondContact ND2-OE1 2.97Å; T297-Q335 HydrophobicContact CG2-CB 4.12Å; T297-Q335 HydrophobicContact CG2-CG 3.96Å; T297-Q335 WeakPolarHBondContact OG1-CB 3.41Å; L332-Q335 HydrophobicContact CB-CB 4.03Å; L332-Q335 WeakPolarHBondContact O-CB 3.33Å; L332-Q335 PolarHBondContact O-N 2.81Å; A333-Q335 VanDerWaalsContact C-N 3.25Å; A333-Q335 PolarHBondContact O-N 2.95Å; Q335-I337 VanDerWaalsContact C-N 3.34Å; Q335-I337 PolarHBondContact O-N 3.16Å; Q335-N339 WeakPolarHBondContact O-CB 3.36Å; Q335-N339 PolarHBondContact O-N 2.76Å; Q335-N339 PolarHBondContact O-ND2 3.45Å
336	D	98.1	Very high	96	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-63.3	-40.9	178.1	-77.5	-17.1	0	0	0	111.9	Y277 W288 T330 S331 L332 A333 D334 A340	Y277-D336 VanDerWaalsContact CE1-OD1 3.25Å; Y277-D336 WeakPolarHBondContact CE1-OD1 3.44Å; Y277-D336 PolarHBondContact OH-N 2.93Å; Y277-D336 PolarHBondContact OH-OD1 2.86Å; W288-D336 HydrophobicContact CB-CB 3.79Å; W288-D336 HydrophobicContact CD2-CB 3.74Å; W288-D336 HydrophobicContact CE3-CB 4.02Å; W288-D336 HydrophobicContact CG-CB 3.62Å; T330-D336 HydrophobicContact CG2-CB 4.22Å; S331-D336 PolarHBondContact N-OD2 3.22Å; L332-D336 PolarHBondContact N-OD2 3.44Å; A333-D336 PolarHBondContact O-N 3.25Å; D334-D336 PolarHBondContact O-N 3.33Å; D336-A340 WeakPolarHBondContact O-CB 3.49Å; D336-A340 PolarHBondContact O-N 3.2Å
337	I	98.3	Very high	96.3	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-74.3	-42.8	-179.2	-66.7	167.9	0	0	0	110.6	I211 L222 L225 W288 W316 A320 T330 D334 Q335 N339 A340 V341	I211-I337 HydrophobicContact CD1-CD1 3.86Å; I211-I337 HydrophobicContact CG2-CD1 4.1Å; L222-I337 HydrophobicContact CD2-CD1 4.31Å; L225-I337 HydrophobicContact CD1-CB 4.32Å; L225-I337 HydrophobicContact CD1-CD1 3.63Å; L225-I337 HydrophobicContact CD1-CG2 4.27Å; L225-I337 HydrophobicContact CD2-CB 4.04Å; L225-I337 HydrophobicContact CD2-CG2 3.72Å; W288-I337 HydrophobicContact CE3-CG1 4.47Å; W288-I337 HydrophobicContact CH2-CG1 4.18Å; W288-I337 HydrophobicContact CZ3-CG1 3.78Å; W316-I337 HydrophobicContact CB-CG2 3.93Å; W316-I337 HydrophobicContact CE3-CG2 4.33Å; A320-I337 HydrophobicContact CB-CD1 3.92Å; A320-I337 HydrophobicContact CB-CG1 4.15Å; A320-I337 HydrophobicContact CB-CG2 4.41Å; T330-I337 HydrophobicContact CG2-CD1 4.02Å; T330-I337 HydrophobicContact CG2-CG1 4.08Å; D334-I337 PolarHBondContact O-N 2.79Å; Q335-I337 VanDerWaalsContact C-N 3.34Å; Q335-I337 PolarHBondContact O-N 3.16Å; I337-N339 VanDerWaalsContact C-N 3.3Å; I337-N339 PolarHBondContact O-N 3.49Å; I337-A340 PolarHBondContact O-N 3.11Å; I337-V341 WeakPolarHBondContact O-CG2 3.3Å; I337-V341 PolarHBondContact O-N 2.89Å
338	F	98.6	Very high	96.8	Very high	1 Å²	1	30.3 Å²	30.3	0%	0.004	16%	0.156	C	C	.	.	H	α-helix	trans	-54.4	-49	172.2	-90.7	-82.2	0	0	0	110.8	K224 L225 L267 T297 I300 W312 D334 A340 V341 I342	K224-F338 HydrophobicContact CB-CE2 4.31Å; L225-F338 HydrophobicContact CD2-CD2 3.93Å; L225-F338 HydrophobicContact CD2-CE2 3.85Å; L267-F338 HydrophobicContact CD1-CD1 4.19Å; L267-F338 HydrophobicContact CD1-CE1 4.42Å; L267-F338 HydrophobicContact CD2-CE1 4.12Å; T297-F338 HydrophobicContact CG2-CB 3.92Å; T297-F338 HydrophobicContact CG2-CD2 3.71Å; T297-F338 HydrophobicContact CG2-CE2 4.4Å; T297-F338 HydrophobicContact CG2-CG 3.87Å; I300-F338 HydrophobicContact CD1-CE2 4.27Å; I300-F338 HydrophobicContact CD1-CZ 4.14Å; W312-F338 AromaticContact CH2-CD1 3.64Å; W312-F338 HydrophobicContact CH2-CD1 3.64Å; W312-F338 AromaticContact CH2-CE1 3.61Å; W312-F338 HydrophobicContact CH2-CE1 3.61Å; W312-F338 HydrophobicContact CH2-CG 4.45Å; W312-F338 HydrophobicContact CH2-CZ 4.41Å; W312-F338 AromaticContact CZ2-CD1 3.79Å; W312-F338 HydrophobicContact CZ2-CD1 3.79Å; W312-F338 AromaticContact CZ2-CE1 3.38Å; W312-F338 HydrophobicContact CZ2-CE1 3.38Å; W312-F338 HydrophobicContact CZ2-CE2 4.43Å; W312-F338 HydrophobicContact CZ2-CG 4.47Å; W312-F338 AromaticContact CZ2-CZ 3.74Å; W312-F338 HydrophobicContact CZ2-CZ 3.74Å; D334-F338 HydrophobicContact CB-CD2 4.19Å; D334-F338 HydrophobicContact CB-CE2 4.32Å; D334-F338 WeakPolarHBondContact O-CD2 3.29Å; D334-F338 PolarHBondContact O-N 3.33Å; F338-A340 PolarHBondContact O-N 3.48Å; F338-V341 PolarHBondContact O-N 3.14Å; F338-I342 WeakPolarHBondContact O-CB 3.34Å; F338-I342 WeakPolarHBondContact O-CD1 3.35Å; F338-I342 WeakPolarHBondContact O-CG1 3.34Å; F338-I342 PolarHBondContact O-N 3.5Å
339	N	98.7	Very high	97.2	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-63.5	-39.5	179.5	-84.6	-70.4	0	0	0	113.3	Y277 P289 A290 G294 Y295 Q335 I337 I342 K343	Y277-N339 HydrophobicContact CE1-CB 4.33Å; P289-N339 CarbonylContact O-C 3.36Å; A290-N339 HydrophobicContact CB-CB 3.73Å; G294-N339 WeakPolarHBondContact CA-OD1 3.36Å; Y295-N339 PolarHBondContact N-OD1 3.04Å; Y295-N339 PolarHBondContact O-ND2 3.43Å; Q335-N339 WeakPolarHBondContact O-CB 3.36Å; Q335-N339 PolarHBondContact O-N 2.76Å; Q335-N339 PolarHBondContact O-ND2 3.45Å; I337-N339 VanDerWaalsContact C-N 3.3Å; I337-N339 PolarHBondContact O-N 3.49Å; N339-I342 PolarHBondContact O-N 3.14Å; N339-K343 WeakPolarHBondContact O-CB 3.42Å; N339-K343 PolarHBondContact O-N 3.43Å
340	A	98.3	Very high	97.4	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-63.3	-43.3	176.6	0	0	0	0	0	111.8	W288 P289 T319 E323 D336 I337 F338 K343 Q344	W288-A340 HydrophobicContact CE3-CB 4.21Å; P289-A340 HydrophobicContact CG-CB 3.81Å; P289-A340 VanDerWaalsContact O-CA 3.29Å; P289-A340 WeakPolarHBondContact O-CA 3.5Å; P289-A340 PolarHBondContact O-N 2.76Å; P289-A340 VanDerWaalsContact O-N 3.14Å; T319-A340 HydrophobicContact CG2-CB 3.51Å; E323-A340 HydrophobicContact CG-CB 4.13Å; D336-A340 WeakPolarHBondContact O-CB 3.49Å; D336-A340 PolarHBondContact O-N 3.2Å; I337-A340 PolarHBondContact O-N 3.11Å; F338-A340 PolarHBondContact O-N 3.48Å; A340-K343 PolarHBondContact O-N 3.03Å; A340-Q344 PolarHBondContact O-N 3.43Å
341	V	98.4	Very high	97.5	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-63.5	-45.1	175.8	173.5	0	0	0	0	110.8	W312 M315 W316 T319 I337 F338 K343 Q344 N345 L348	W312-V341 HydrophobicContact CH2-CB 4.37Å; W312-V341 HydrophobicContact CH2-CG1 4.14Å; W312-V341 HydrophobicContact CH2-CG2 4.47Å; W312-V341 HydrophobicContact CZ3-CB 4.39Å; W312-V341 HydrophobicContact CZ3-CG1 3.66Å; M315-V341 HydrophobicContact CG-CG1 3.84Å; M315-V341 HydrophobicContact SD-CG1 3.54Å; M315-V341 VanDerWaalsContact SD-CG1 3.54Å; W316-V341 HydrophobicContact CB-CG2 4.07Å; T319-V341 HydrophobicContact CG2-CG2 3.85Å; I337-V341 WeakPolarHBondContact O-CG2 3.3Å; I337-V341 PolarHBondContact O-N 2.89Å; F338-V341 PolarHBondContact O-N 3.14Å; V341-K343 VanDerWaalsContact C-N 3.33Å; V341-K343 PolarHBondContact O-N 3.37Å; V341-Q344 PolarHBondContact O-N 3.11Å; V341-N345 PolarHBondContact O-N 3.41Å; V341-N345 PolarHBondContact O-ND2 3.03Å; V341-L348 HydrophobicContact CG1-CD1 4.37Å
342	I	98.4	Very high	97.7	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-62.7	-39	178.7	-71.4	164.9	0	0	0	111.3	L267 L269 L291 Y295 F338 N339 Q344 N345 P346 V349	L267-I342 HydrophobicContact CD1-CD1 4.15Å; L267-I342 HydrophobicContact CD1-CG1 4.06Å; L269-I342 HydrophobicContact CD1-CD1 3.5Å; L269-I342 VanDerWaalsContact CD1-CD1 3.5Å; L291-I342 HydrophobicContact CD1-CG2 3.58Å; L291-I342 HydrophobicContact CG-CG2 4.15Å; Y295-I342 HydrophobicContact CD2-CD1 4.09Å; Y295-I342 HydrophobicContact CD2-CG2 4.06Å; Y295-I342 HydrophobicContact CE2-CG2 3.89Å; F338-I342 WeakPolarHBondContact O-CB 3.34Å; F338-I342 WeakPolarHBondContact O-CD1 3.35Å; F338-I342 WeakPolarHBondContact O-CG1 3.34Å; F338-I342 PolarHBondContact O-N 3.5Å; N339-I342 PolarHBondContact O-N 3.14Å; I342-Q344 PolarHBondContact O-N 3.47Å; I342-N345 CarbonylContact O-C 3.43Å; I342-N345 PolarHBondContact O-N 3.39Å; I342-N345 VanDerWaalsContact O-N 3.1Å; I342-P346 VanDerWaalsContact O-CA 3.29Å; I342-P346 WeakPolarHBondContact O-CA 3.29Å; I342-V349 HydrophobicContact CB-CG2 4.15Å; I342-V349 HydrophobicContact CD1-CG2 3.63Å; I342-V349 HydrophobicContact CG1-CG2 3.52Å; I342-V349 HydrophobicContact CG2-CG2 3.56Å
343	K	97.9	Very high	97.7	Very high	104 Å²	104	29 Å²	29	45%	0.452	14%	0.143	S	C	.	.	H	α-helix	trans	-59.9	-37.8	175.7	-169.9	-178.5	-171.7	170.8	0	112.3	P289 L291 N339 A340 V341	P289-K343 HydrophobicContact CB-CD 3.4Å; P289-K343 VanDerWaalsContact CB-CD 3.4Å; L291-K343 HydrophobicContact CD2-CB 4.44Å; L291-K343 HydrophobicContact CD2-CG 4.11Å; L291-K343 HydrophobicContact CG-CB 4.44Å; N339-K343 WeakPolarHBondContact O-CB 3.42Å; N339-K343 PolarHBondContact O-N 3.43Å; A340-K343 PolarHBondContact O-N 3.03Å; V341-K343 VanDerWaalsContact C-N 3.33Å; V341-K343 PolarHBondContact O-N 3.37Å
344	Q	96.9	Very high	97.7	Very high	68 Å²	68	31 Å²	31	32%	0.318	16%	0.157	S	C	.	.	H	α-helix	trans	-77.4	-27.9	176.4	-63	179.7	33.4	0	0	112.1	R322 A340 V341 I342	R322-Q344 VanDerWaalsContact NH1-NE2 3.15Å; A340-Q344 PolarHBondContact O-N 3.43Å; V341-Q344 PolarHBondContact O-N 3.11Å; I342-Q344 PolarHBondContact O-N 3.47Å
345	N	97.5	Very high	97.5	Very high	35 Å²	35	33.7 Å²	33.7	19%	0.187	17%	0.168	C	C	.	.			trans	-133.4	69	-175.4	-52.8	-86.5	0	0	0	111.9	V341 I342 F347 L348	V341-N345 PolarHBondContact O-N 3.41Å; V341-N345 PolarHBondContact O-ND2 3.03Å; I342-N345 CarbonylContact O-C 3.43Å; I342-N345 PolarHBondContact O-N 3.39Å; I342-N345 VanDerWaalsContact O-N 3.1Å; N345-F347 HydrophobicContact CB-CE1 4.17Å; N345-F347 HydrophobicContact CB-CE2 4.49Å; N345-F347 HydrophobicContact CB-CZ 3.99Å; N345-F347 PolarHBondContact O-N 2.91Å; N345-F347 VanDerWaalsContact O-N 3.16Å; N345-L348 HydrophobicContact CB-CD1 3.51Å; N345-L348 HydrophobicContact CB-CG 3.73Å; N345-L348 WeakPolarHBondContact O-CB 3.47Å; N345-L348 WeakPolarHBondContact O-CG 3.37Å; N345-L348 PolarHBondContact O-N 3.37Å
346	P	97.3	Very high	97.5	Very high	62 Å²	62	33.9 Å²	33.9	40%	0.403	17%	0.168	S	C	.	.	G	3₁₀ helix	trans	-61.2	-29.9	-172.2	-26.9	36.6	0	0	0	114.4	L291 I342 L348 V349	L291-P346 HydrophobicContact CD1-CB 3.59Å; L291-P346 HydrophobicContact CD1-CG 3.88Å; L291-P346 HydrophobicContact CD2-CG 4.15Å; I342-P346 VanDerWaalsContact O-CA 3.29Å; I342-P346 WeakPolarHBondContact O-CA 3.29Å; P346-L348 PolarHBondContact O-N 3.06Å; P346-V349 PolarHBondContact O-N 2.98Å
347	F	96.8	Very high	97.4	Very high	99 Å²	99	33.9 Å²	33.9	43%	0.434	17%	0.168	S	C	.	.	G	3₁₀ helix	trans	-67.7	-10.8	-178	55.3	-97.3	0	0	0	114.1	Q264 N345 V349	Q264-F347 HydrophobicContact CB-CD2 3.85Å; Q264-F347 HydrophobicContact CB-CE2 4.35Å; N345-F347 HydrophobicContact CB-CE1 4.17Å; N345-F347 HydrophobicContact CB-CE2 4.49Å; N345-F347 HydrophobicContact CB-CZ 3.99Å; N345-F347 PolarHBondContact O-N 2.91Å; N345-F347 VanDerWaalsContact O-N 3.16Å; F347-V349 VanDerWaalsContact C-N 3.25Å; F347-V349 PolarHBondContact O-N 3.38Å
348	L	97.8	Very high	97.3	Very high	1 Å²	1	33.9 Å²	33.9	1%	0.005	17%	0.168	C	C	.	.	G	3₁₀ helix	trans	-71.8	-19.9	176.2	-60.3	-178.3	0	0	0	113	Q265 V266 L267 M310 M315 V341 N345 P346	Q265-L348 WeakPolarHBondContact CA-O 3.44Å; V266-L348 HydrophobicContact CG2-CB 4.11Å; V266-L348 HydrophobicContact CG2-CD2 3.97Å; V266-L348 PolarHBondContact N-O 3.32Å; L267-L348 PolarHBondContact N-O 3.32Å; M310-L348 HydrophobicContact CE-CD2 3.27Å; M310-L348 HydrophobicContact SD-CD2 4.09Å; M315-L348 HydrophobicContact SD-CD1 3.99Å; V341-L348 HydrophobicContact CG1-CD1 4.37Å; N345-L348 HydrophobicContact CB-CD1 3.51Å; N345-L348 HydrophobicContact CB-CG 3.73Å; N345-L348 WeakPolarHBondContact O-CB 3.47Å; N345-L348 WeakPolarHBondContact O-CG 3.37Å; N345-L348 PolarHBondContact O-N 3.37Å; P346-L348 PolarHBondContact O-N 3.06Å
349	V	98.1	Very high	97.2	Very high	12 Å²	12	33.9 Å²	33.9	7%	0.073	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	130.4	-169.3	-178.9	0	0	0	0	111.8	Q265 L267 Y295 I342 P346 F347	Q265-V349 PolarHBondContact NE2-O 3.41Å; Q265-V349 VanDerWaalsContact NE2-O 3.13Å; L267-V349 HydrophobicContact CB-CG2 4.44Å; L267-V349 CarbonylContact O-C 3.51Å; L267-V349 WeakPolarHBondContact O-CA 3.19Å; Y295-V349 HydrophobicContact CD1-CG1 4.45Å; Y295-V349 HydrophobicContact CE1-CG1 3.94Å; Y295-V349 HydrophobicContact CE2-CG1 4.22Å; I342-V349 HydrophobicContact CB-CG2 4.15Å; I342-V349 HydrophobicContact CD1-CG2 3.63Å; I342-V349 HydrophobicContact CG1-CG2 3.52Å; I342-V349 HydrophobicContact CG2-CG2 3.56Å; P346-V349 PolarHBondContact O-N 2.98Å; F347-V349 VanDerWaalsContact C-N 3.25Å; F347-V349 PolarHBondContact O-N 3.38Å
350	Y	98.4	Very high	96.9	Very high	46 Å²	46	33.9 Å²	33.9	18%	0.18	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	115.1	155.8	179.9	-87.1	0	0	0	108.2	V257 K260 F261 L267 G268 L269 L352	V257-Y350 HydrophobicContact CG1-CD1 4.09Å; V257-Y350 HydrophobicContact CG1-CE1 3.53Å; K260-Y350 HydrophobicContact CB-CE2 3.82Å; K260-Y350 WeakPolarHBondContact CD-OH 3.27Å; F261-Y350 AromaticContact CD1-CD1 3.99Å; F261-Y350 HydrophobicContact CD1-CD1 3.99Å; F261-Y350 AromaticContact CD1-CD2 3.98Å; F261-Y350 HydrophobicContact CD1-CD2 3.98Å; F261-Y350 AromaticContact CD1-CG 3.58Å; F261-Y350 HydrophobicContact CD1-CG 3.58Å; F261-Y350 VanDerWaalsContact CE1-CB 3.49Å; F261-Y350 AromaticContact CE1-CD1 3.6Å; F261-Y350 HydrophobicContact CE1-CD1 3.6Å; F261-Y350 HydrophobicContact CE1-CD2 4.4Å; F261-Y350 HydrophobicContact CE1-CE1 4.46Å; F261-Y350 AromaticContact CE1-CG 3.57Å; F261-Y350 HydrophobicContact CE1-CG 3.57Å; F261-Y350 HydrophobicContact CG-CG 4.49Å; F261-Y350 HydrophobicContact CZ-CG 4.47Å; L267-Y350 PolarHBondContact O-N 2.94Å; G268-Y350 WeakPolarHBondContact CA-O 3.16Å; L269-Y350 PolarHBondContact N-O 3.07Å; Y350-L352 HydrophobicContact CD1-CD2 4.08Å; Y350-L352 HydrophobicContact CE1-CD2 4.05Å; Y350-L352 PolarHBondContact O-N 3.49Å
351	Q	98	Very high	96.5	Very high	106 Å²	106	34.6 Å²	34.6	50%	0.495	17%	0.173	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	116.6	179.9	-178.3	163.3	-50.6	0	0	110.6	Y295	Y295-Q351 HydrophobicContact CE1-CB 4.4Å; Y295-Q351 HydrophobicContact CE1-CG 4.13Å; Y295-Q351 PolarHBondContact OH-OE1 2.69Å
352	L	97.6	Very high	95.8	Very high	3 Å²	3	38.1 Å²	38.1	2%	0.016	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	141.5	174.3	-67.5	174.6	0	0	0	110.5	L254 V257 L269 V270 L301 Y350 W356	L254-L352 HydrophobicContact CD1-CD1 4.42Å; V257-L352 HydrophobicContact CB-CD2 4.35Å; V257-L352 HydrophobicContact CG1-CD2 3.54Å; L269-L352 WeakPolarHBondContact O-CB 3.41Å; L269-L352 PolarHBondContact O-N 3.1Å; V270-L352 HydrophobicContact CG2-CB 3.49Å; V270-L352 VanDerWaalsContact CG2-CB 3.49Å; V270-L352 HydrophobicContact CG2-CD1 4.17Å; V270-L352 HydrophobicContact CG2-CG 4.47Å; L301-L352 HydrophobicContact CD1-CD1 4.41Å; L301-L352 HydrophobicContact CD1-CD2 3.89Å; L301-L352 HydrophobicContact CG-CD1 4.28Å; Y350-L352 HydrophobicContact CD1-CD2 4.08Å; Y350-L352 HydrophobicContact CE1-CD2 4.05Å; Y350-L352 PolarHBondContact O-N 3.49Å; L352-W356 HydrophobicContact CB-CB 4.49Å
353	P	95.5	Very high	95.1	Very high	53 Å²	53	43.9 Å²	43.9	34%	0.344	22%	0.219	S	C	.	.	P	Polyproline II helix	trans	-53.5	142.4	166.2	-25.8	32.8	0	0	0	111.6	F355 W356	P353-F355 VanDerWaalsContact C-N 3.25Å; P353-F355 HydrophobicContact CB-CD1 3.88Å; P353-F355 HydrophobicContact CB-CD2 4.36Å; P353-F355 HydrophobicContact CB-CE1 3.33Å; P353-F355 HydrophobicContact CB-CE2 3.91Å; P353-F355 HydrophobicContact CB-CG 4.36Å; P353-F355 HydrophobicContact CB-CZ 3.36Å; P353-F355 HydrophobicContact CG-CE1 4.25Å; P353-F355 HydrophobicContact CG-CE2 4.49Å; P353-F355 HydrophobicContact CG-CZ 3.9Å; P353-F355 PolarHBondContact O-N 3.1Å; P353-F355 VanDerWaalsContact O-N 3.16Å; P353-W356 WeakPolarHBondContact O-CB 3.45Å; P353-W356 PolarHBondContact O-N 2.86Å; P353-W356 VanDerWaalsContact O-N 3.1Å
354	C	94.9	Very high	94.7	Very high	41 Å²	41	40.1 Å²	40.1	28%	0.277	21%	0.205	S	C	.	.	G	3₁₀ helix	trans	-73.4	-15.1	-164	72	0	0	0	0	115.2	V270 Q273 W356 N357 C369	V270-C354 HydrophobicContact CG1-CB 3.96Å; Q273-C354 PolarHBondContact NE2-O 3.24Å; Q273-C354 VanDerWaalsContact NE2-O 3.08Å; C354-W356 PolarHBondContact O-N 3.44Å; C354-N357 CarbonylContact O-C 3.54Å; C354-N357 PolarHBondContact O-N 2.89Å; C354-C369 HydrophobicContact CB-CB 4.04Å; C354-C369 WeakPolarHBondContact CB-SG 3.23Å; C354-C369 WeakPolarHBondContact SG-CA 3.31Å; C354-C369 WeakPolarHBondContact SG-CB 3.23Å; C354-C369 CovalentContact SG-SG 2.03Å; C354-C369 PolarHBondContact SG-SG 3.48Å
355	F	95.1	Very high	94.3	Very high	64 Å²	64	41.7 Å²	41.7	28%	0.281	21%	0.208	S	C	.	.	G	3₁₀ helix	trans	-67.4	-14.1	170.9	53	-108.2	0	0	0	114.9	P353 N357 D375 K377 V378	P353-F355 VanDerWaalsContact C-N 3.25Å; P353-F355 HydrophobicContact CB-CD1 3.88Å; P353-F355 HydrophobicContact CB-CD2 4.36Å; P353-F355 HydrophobicContact CB-CE1 3.33Å; P353-F355 HydrophobicContact CB-CE2 3.91Å; P353-F355 HydrophobicContact CB-CG 4.36Å; P353-F355 HydrophobicContact CB-CZ 3.36Å; P353-F355 HydrophobicContact CG-CE1 4.25Å; P353-F355 HydrophobicContact CG-CE2 4.49Å; P353-F355 HydrophobicContact CG-CZ 3.9Å; P353-F355 PolarHBondContact O-N 3.1Å; P353-F355 VanDerWaalsContact O-N 3.16Å; F355-N357 PolarHBondContact O-N 3.31Å; F355-D375 WeakPolarHBondContact CB-O 3.32Å; F355-K377 HydrophobicContact CD2-CB 4.05Å; F355-K377 HydrophobicContact CD2-CG 3.49Å; F355-K377 VanDerWaalsContact CD2-CG 3.49Å; F355-K377 HydrophobicContact CE2-CG 3.96Å; F355-K377 HydrophobicContact CG-CG 4.39Å; F355-K377 WeakPolarHBondContact O-CB 3.42Å; F355-K377 PolarHBondContact O-N 3.31Å; F355-V378 PolarHBondContact O-N 3.18Å; F355-V378 VanDerWaalsContact O-N 3.12Å
356	W	96.8	Very high	94	Very high	16 Å²	16	40 Å²	40	6%	0.061	20%	0.199	C	C	.	.	G	3₁₀ helix	trans	-77.5	-3.1	172.7	-73.8	115.2	0	0	0	114	T249 E253 L254 V270 L352 P353 C354 K377 V378	T249-W356 HydrophobicContact CG2-CH2 4.02Å; T249-W356 HydrophobicContact CG2-CZ3 3.78Å; E253-W356 HydrophobicContact CB-CH2 3.54Å; E253-W356 HydrophobicContact CB-CZ2 4.14Å; L254-W356 HydrophobicContact CB-CE3 3.89Å; L254-W356 HydrophobicContact CB-CH2 4.09Å; L254-W356 HydrophobicContact CB-CZ3 3.63Å; L254-W356 HydrophobicContact CD1-CD2 3.85Å; L254-W356 HydrophobicContact CD1-CE3 3.81Å; L254-W356 HydrophobicContact CD1-CG 4.18Å; L254-W356 HydrophobicContact CD1-CZ3 4.41Å; L254-W356 HydrophobicContact CD2-CE3 4.34Å; L254-W356 HydrophobicContact CG-CE3 4.21Å; L254-W356 HydrophobicContact CG-CZ3 4.44Å; V270-W356 HydrophobicContact CG2-CB 4Å; L352-W356 HydrophobicContact CB-CB 4.49Å; P353-W356 WeakPolarHBondContact O-CB 3.45Å; P353-W356 PolarHBondContact O-N 2.86Å; P353-W356 VanDerWaalsContact O-N 3.1Å; C354-W356 PolarHBondContact O-N 3.44Å; W356-K377 HydrophobicContact CD2-CB 4.18Å; W356-K377 HydrophobicContact CE3-CB 3.68Å; W356-K377 HydrophobicContact CE3-CG 4.4Å; W356-K377 HydrophobicContact CH2-CB 4.11Å; W356-K377 HydrophobicContact CH2-CD 4.12Å; W356-K377 HydrophobicContact CH2-CG 4.12Å; W356-K377 HydrophobicContact CZ2-CG 4.36Å; W356-K377 HydrophobicContact CZ3-CB 3.64Å; W356-K377 HydrophobicContact CZ3-CD 4.42Å; W356-K377 HydrophobicContact CZ3-CG 4.17Å; W356-V378 HydrophobicContact CE3-CG2 3.87Å; W356-V378 HydrophobicContact CZ3-CG2 4.29Å; W356-V378 VanDerWaalsContact O-CB 3.29Å; W356-V378 WeakPolarHBondContact O-CB 3.37Å
357	N	97	Very high	93.5	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	20%	0.199	C	C	.	.	G	3₁₀ helix	trans	-163.6	70.8	175.8	-173.3	-3.8	0	0	0	108.5	V270 Q273 N296 V299 C354 F355 Q359 H380	V270-N357 HydrophobicContact CB-CB 3.67Å; V270-N357 HydrophobicContact CG1-CB 3.98Å; V270-N357 HydrophobicContact CG2-CB 3.57Å; Q273-N357 PolarHBondContact NE2-O 2.86Å; N296-N357 PolarHBondContact OD1-ND2 3.28Å; V299-N357 HydrophobicContact CB-CB 4.21Å; V299-N357 HydrophobicContact CG2-CB 4.01Å; C354-N357 CarbonylContact O-C 3.54Å; C354-N357 PolarHBondContact O-N 2.89Å; F355-N357 PolarHBondContact O-N 3.31Å; N357-Q359 WeakPolarHBondContact O-CG 3.46Å; N357-Q359 PolarHBondContact O-N 3.15Å; N357-Q359 VanDerWaalsContact O-N 3.14Å; N357-Q359 PolarHBondContact O-NE2 3.32Å; N357-H380 WeakPolarHBondContact OD1-CB 3.23Å; N357-H380 PolarHBondContact OD1-ND1 3.21Å
358	V	96	Very high	92.9	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	103.1	177.8	-178.7	0	0	0	0	108.4	L360 C369 Y370 L376 V378 H380 F397	V358-L360 HydrophobicContact CG1-CD2 4.46Å; V358-C369 HydrophobicContact CG2-CB 4.43Å; V358-Y370 HydrophobicContact CG1-CD1 3.98Å; V358-Y370 HydrophobicContact CG1-CE1 3.83Å; V358-L376 HydrophobicContact CG1-CD2 4.38Å; V358-L376 HydrophobicContact CG2-CD2 3.86Å; V358-V378 PolarHBondContact N-O 2.81Å; V358-H380 PolarHBondContact O-N 3.13Å; V358-F397 HydrophobicContact CG1-CE1 4.37Å; V358-F397 HydrophobicContact CG1-CZ 4.13Å
359	Q	95.2	Very high	92.5	Very high	1 Å²	1	44 Å²	44	1%	0.005	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	124.5	-170.5	-72.8	156.5	54.3	0	0	110.7	E271 N272 Q273 N296 N357 T364 S366 N382	E271-Q359 PolarHBondContact O-NE2 3.43Å; E271-Q359 VanDerWaalsContact O-NE2 3.13Å; N272-Q359 PolarHBondContact OD1-OE1 2.97Å; Q273-Q359 HydrophobicContact CB-CB 4.16Å; N296-Q359 HydrophobicContact CB-CG 4.44Å; N357-Q359 WeakPolarHBondContact O-CG 3.46Å; N357-Q359 PolarHBondContact O-N 3.15Å; N357-Q359 VanDerWaalsContact O-N 3.14Å; N357-Q359 PolarHBondContact O-NE2 3.32Å; Q359-T364 VanDerWaalsContact O-CB 3.26Å; Q359-T364 WeakPolarHBondContact O-CB 3.39Å; Q359-T364 WeakPolarHBondContact O-CG2 3.33Å; Q359-T364 PolarHBondContact O-OG1 2.83Å; Q359-S366 VanDerWaalsContact O-CB 3.26Å; Q359-S366 WeakPolarHBondContact O-CB 3.3Å; Q359-S366 PolarHBondContact O-OG 3.15Å; Q359-S366 VanDerWaalsContact O-OG 3.12Å; Q359-N382 WeakPolarHBondContact CB-ND2 3.38Å; Q359-N382 WeakPolarHBondContact CB-OD1 3.45Å
360	L	93.3	Very high	91.9	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	22%	0.216	C	C	.	.			trans	-110.3	98.7	179.8	-57.7	-178.7	0	0	0	110.6	V358 I379 H380 W381 N382 V389 F397	V358-L360 HydrophobicContact CG1-CD2 4.46Å; L360-I379 HydrophobicContact CD1-CG2 3.53Å; L360-I379 HydrophobicContact CG-CG2 4.18Å; L360-H380 PolarHBondContact N-O 3.16Å; L360-W381 HydrophobicContact CB-CE3 4.18Å; L360-W381 HydrophobicContact CD1-CD2 4.04Å; L360-W381 HydrophobicContact CD1-CE3 3.88Å; L360-W381 HydrophobicContact CD1-CH2 3.82Å; L360-W381 HydrophobicContact CD1-CZ2 3.99Å; L360-W381 HydrophobicContact CD1-CZ3 3.77Å; L360-N382 PolarHBondContact N-OD1 2.9Å; L360-N382 PolarHBondContact O-OD1 3.35Å; L360-V389 HydrophobicContact CB-CG2 4.32Å; L360-F397 HydrophobicContact CD1-CB 3.61Å; L360-F397 HydrophobicContact CD1-CD1 4.17Å; L360-F397 HydrophobicContact CD1-CD2 3.83Å; L360-F397 HydrophobicContact CD1-CG 3.61Å; L360-F397 HydrophobicContact CD2-CD2 3.8Å; L360-F397 HydrophobicContact CD2-CE2 3.81Å; L360-F397 HydrophobicContact CD2-CG 4.35Å; L360-F397 HydrophobicContact CD2-CZ 4.36Å; L360-F397 HydrophobicContact CG-CD2 4.49Å
361	S	90.5	Very high	91	Very high	16 Å²	16	53.2 Å²	53.2	11%	0.112	25%	0.248	C	C	.	.	S	Bend	trans	-142.2	173.2	176.6	71.4	0	0	0	0	111.6	H363 T364 N391	S361-H363 PolarHBondContact O-N 2.97Å; S361-T364 WeakPolarHBondContact O-CG2 3.46Å; S361-T364 PolarHBondContact O-N 3.33Å; S361-N391 PolarHBondContact O-ND2 3.05Å
362	D	83.1	Confident	90	Very high	73 Å²	73	53.4 Å²	53.4	39%	0.39	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-26.1	-177	-69.5	-22	0	0	0	113.3	K385	D362-K385 IonicContact OD1-NZ 3.96Å; D362-K385 WeakPolarHBondContact OD2-CE 3.44Å; D362-K385 IonicContact OD2-NZ 2.81Å; D362-K385 PolarHBondContact OD2-NZ 2.85Å
363	H	84.1	Confident	88.8	Confident	121 Å²	121	57.8 Å²	57.8	56%	0.56	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-118	21.5	-177.9	-61.4	-62.3	0	0	0	112.9	S274 S361	S274-H363 WeakPolarHBondContact CB-O 3.23Å; S361-H363 PolarHBondContact O-N 2.97Å
364	T	89	Confident	87.9	Confident	26 Å²	26	59.7 Å²	59.7	16%	0.16	29%	0.294	C	S	.	.			trans	-72	151.6	-178.9	-166.1	0	0	0	0	112.4	Q273 Q359 S361 S366 N391	Q273-T364 CarbonylContact O-C 3.59Å; Q273-T364 VanDerWaalsContact O-CA 3.32Å; Q273-T364 WeakPolarHBondContact O-CA 3.31Å; Q273-T364 PolarHBondContact O-OG1 3.47Å; Q359-T364 VanDerWaalsContact O-CB 3.26Å; Q359-T364 WeakPolarHBondContact O-CB 3.39Å; Q359-T364 WeakPolarHBondContact O-CG2 3.33Å; Q359-T364 PolarHBondContact O-OG1 2.83Å; S361-T364 WeakPolarHBondContact O-CG2 3.46Å; S361-T364 PolarHBondContact O-N 3.33Å; T364-S366 WeakPolarHBondContact CG2-OG 3.13Å; T364-S366 WeakPolarHBondContact OG1-CB 3.3Å; T364-S366 PolarHBondContact OG1-N 3.08Å; T364-S366 PolarHBondContact OG1-OG 3.07Å; T364-N391 WeakPolarHBondContact CG2-ND2 3.47Å
365	R	88.9	Confident	87.3	Confident	100 Å²	100	60.4 Å²	60.4	38%	0.377	30%	0.295	S	S	.	.			trans	-117.8	22.4	174.2	-57.1	-179.9	65.4	163.1	2.9	110.8	Q273 D275 R293 E367 Q368	Q273-R365 PolarHBondContact O-N 3.26Å; D275-R365 IonicContact OD1-NH1 3.23Å; D275-R365 PolarHBondContact OD1-NH1 3.08Å; D275-R365 IonicContact OD2-CZ 3.48Å; D275-R365 IonicContact OD2-NH1 2.62Å; D275-R365 PolarHBondContact OD2-NH1 2.95Å; R293-R365 VanDerWaalsContact NH2-CZ 3.3Å; R365-E367 PolarHBondContact O-N 3.01Å; R365-E367 VanDerWaalsContact O-N 3.16Å; R365-Q368 PolarHBondContact O-N 3.15Å
366	S	90.1	Very high	87	Confident	1 Å²	1	57.8 Å²	57.8	1%	0.007	28%	0.284	C	S	.	.	G	3₁₀ helix	trans	-64.1	-16.6	-172.9	62.4	0	0	0	0	115.1	Q359 T364 Q368 C369 Y370	Q359-S366 VanDerWaalsContact O-CB 3.26Å; Q359-S366 WeakPolarHBondContact O-CB 3.3Å; Q359-S366 PolarHBondContact O-OG 3.15Å; Q359-S366 VanDerWaalsContact O-OG 3.12Å; T364-S366 WeakPolarHBondContact CG2-OG 3.13Å; T364-S366 WeakPolarHBondContact OG1-CB 3.3Å; T364-S366 PolarHBondContact OG1-N 3.08Å; T364-S366 PolarHBondContact OG1-OG 3.07Å; S366-Q368 PolarHBondContact O-N 3.36Å; S366-C369 VanDerWaalsContact O-CB 3.24Å; S366-C369 WeakPolarHBondContact O-CB 3.49Å; S366-C369 PolarHBondContact O-N 2.93Å; S366-Y370 WeakPolarHBondContact O-CD1 3.45Å; S366-Y370 WeakPolarHBondContact O-CE1 3.43Å
367	E	86.5	Confident	86.9	Confident	88 Å²	88	58.9 Å²	58.9	41%	0.411	29%	0.289	S	S	.	.	G	3₁₀ helix	trans	-56.9	-19.3	176.7	-62.5	-176	-163.6	0	0	113.6	R365 C369 K392	R365-E367 PolarHBondContact O-N 3.01Å; R365-E367 VanDerWaalsContact O-N 3.16Å; E367-C369 VanDerWaalsContact C-N 3.27Å; E367-K392 WeakPolarHBondContact OE1-CB 3.35Å; E367-K392 WeakPolarHBondContact OE2-CD 3.33Å
368	Q	84.9	Confident	86.9	Confident	142 Å²	142	58.9 Å²	58.9	66%	0.664	29%	0.289	S	S	*	.	G	3₁₀ helix	trans	-79.4	-11	176.5	-58.7	-177.5	-5.1	0	0	113.1	R365 S366	R365-Q368 PolarHBondContact O-N 3.15Å; S366-Q368 PolarHBondContact O-N 3.36Å
369	C	89.1	Confident	87	Confident	15 Å²	15	59 Å²	59	10%	0.101	29%	0.289	C	S	.	.	G	3₁₀ helix	trans	-90.6	-10.9	-173.2	-66.3	0	0	0	0	114.8	Q273 C354 V358 S366 E367	Q273-C369 PolarHBondContact NE2-SG 2.79Å; C354-C369 HydrophobicContact CB-CB 4.04Å; C354-C369 WeakPolarHBondContact CB-SG 3.23Å; C354-C369 WeakPolarHBondContact SG-CA 3.31Å; C354-C369 WeakPolarHBondContact SG-CB 3.23Å; C354-C369 CovalentContact SG-SG 2.03Å; C354-C369 PolarHBondContact SG-SG 3.48Å; V358-C369 HydrophobicContact CG2-CB 4.43Å; S366-C369 VanDerWaalsContact O-CB 3.24Å; S366-C369 WeakPolarHBondContact O-CB 3.49Å; S366-C369 PolarHBondContact O-N 2.93Å; E367-C369 VanDerWaalsContact C-N 3.27Å
370	Y	85.4	Confident	87	Confident	22 Å²	22	59 Å²	59	9%	0.086	29%	0.29	C	S	.	.			trans	-144.6	134.3	-178.6	55.4	-88.1	0	0	0	108.8	V358 S366 L376 H393 F397	V358-Y370 HydrophobicContact CG1-CD1 3.98Å; V358-Y370 HydrophobicContact CG1-CE1 3.83Å; S366-Y370 WeakPolarHBondContact O-CD1 3.45Å; S366-Y370 WeakPolarHBondContact O-CE1 3.43Å; Y370-L376 HydrophobicContact CD1-CD2 3.67Å; Y370-L376 HydrophobicContact CD2-CD2 4.3Å; Y370-L376 HydrophobicContact CE1-CD2 4.47Å; Y370-L376 HydrophobicContact CG-CD2 3.58Å; Y370-L376 HydrophobicContact CG-CG 4.32Å; Y370-H393 AromaticContact CE2-CE1 3.94Å; Y370-H393 AromaticContact CE2-ND1 3.31Å; Y370-H393 VanDerWaalsContact CE2-ND1 3.31Å; Y370-H393 WeakPolarHBondContact CE2-ND1 3.2Å; Y370-H393 AromaticContact CZ-ND1 3.64Å; Y370-H393 PolarHBondContact OH-ND1 3.5Å; Y370-F397 HydrophobicContact CD1-CZ 4.41Å; Y370-F397 HydrophobicContact CE1-CE2 4.34Å; Y370-F397 AromaticContact CE1-CZ 3.78Å; Y370-F397 HydrophobicContact CE1-CZ 3.78Å; Y370-F397 HydrophobicContact CE2-CZ 4.17Å; Y370-F397 AromaticContact CZ-CE2 3.92Å; Y370-F397 AromaticContact CZ-CZ 3.65Å
371	R	80.1	Confident	87.1	Confident	229 Å²	229	59.2 Å²	59.2	86%	0.864	29%	0.29	S	S	*	.	S	Bend	trans	-101.9	-45.3	170.4	-63.8	-178.7	179.6	-178	0.3	109.3	D375	R371-D375 PolarHBondContact N-OD2 3.11Å
372	D	76.5	Confident	87.2	Confident	111 Å²	111	59.9 Å²	59.9	59%	0.594	29%	0.293	S	S	*	.	S	Bend	trans	-123	164.3	178.6	-62.7	-45.7	0	0	0	111	S374 D375	D372-S374 PolarHBondContact O-N 3.11Å; D372-D375 PolarHBondContact N-OD2 3.34Å; D372-D375 WeakPolarHBondContact O-CB 3.17Å; D372-D375 PolarHBondContact O-N 3.34Å
373	V	71.9	Confident	87.5	Confident	95 Å²	95	56.6 Å²	56.6	58%	0.576	28%	0.276	S	S	*	.	G	3₁₀ helix	trans	-60	-31.6	-179.3	175.9	0	0	0	0	112.1	D375 L376 F396	V373-D375 PolarHBondContact O-N 3.22Å; V373-L376 WeakPolarHBondContact O-CB 3.33Å; V373-L376 PolarHBondContact O-N 3.19Å; V373-L376 VanDerWaalsContact O-N 3.14Å; V373-F396 HydrophobicContact CG1-CE2 4.13Å; V373-F396 HydrophobicContact CG1-CZ 3.77Å; V373-F396 HydrophobicContact CG2-CE2 3.94Å; V373-F396 HydrophobicContact CG2-CZ 4.05Å
374	S	78.6	Confident	87.5	Confident	93 Å²	93	55.4 Å²	55.4	65%	0.65	28%	0.279	S	S	*	.	G	3₁₀ helix	trans	-63.8	-19.3	177.1	50.4	0	0	0	0	114.1	D372 L376	D372-S374 PolarHBondContact O-N 3.11Å; S374-L376 VanDerWaalsContact C-N 3.32Å
375	D	80.6	Confident	87.4	Confident	55 Å²	55	59.2 Å²	59.2	29%	0.294	29%	0.293	S	S	.	.	G	3₁₀ helix	trans	-77.4	-22.3	177.8	-60.2	-29	0	0	0	111.7	F355 R371 D372 V373 K377	F355-D375 WeakPolarHBondContact CB-O 3.32Å; R371-D375 PolarHBondContact N-OD2 3.11Å; D372-D375 PolarHBondContact N-OD2 3.34Å; D372-D375 WeakPolarHBondContact O-CB 3.17Å; D372-D375 PolarHBondContact O-N 3.34Å; V373-D375 PolarHBondContact O-N 3.22Å; D375-K377 PolarHBondContact O-N 3.31Å
376	L	89.1	Confident	87.4	Confident	9 Å²	9	57.1 Å²	57.1	5%	0.047	29%	0.287	C	S	.	.			trans	-75.7	123	-174.5	-65.8	173.4	0	0	0	111.2	V358 Y370 V373 S374 F396 F397	V358-L376 HydrophobicContact CG1-CD2 4.38Å; V358-L376 HydrophobicContact CG2-CD2 3.86Å; Y370-L376 HydrophobicContact CD1-CD2 3.67Å; Y370-L376 HydrophobicContact CD2-CD2 4.3Å; Y370-L376 HydrophobicContact CE1-CD2 4.47Å; Y370-L376 HydrophobicContact CG-CD2 3.58Å; Y370-L376 HydrophobicContact CG-CG 4.32Å; V373-L376 WeakPolarHBondContact O-CB 3.33Å; V373-L376 PolarHBondContact O-N 3.19Å; V373-L376 VanDerWaalsContact O-N 3.14Å; S374-L376 VanDerWaalsContact C-N 3.32Å; L376-F396 HydrophobicContact CD1-CD1 4.27Å; L376-F396 HydrophobicContact CD1-CE1 3.34Å; L376-F396 HydrophobicContact CD1-CZ 3.92Å; L376-F397 HydrophobicContact CD1-CE1 3.76Å; L376-F397 HydrophobicContact CD1-CZ 4.32Å; L376-F397 HydrophobicContact CD2-CE1 3.9Å; L376-F397 HydrophobicContact CD2-CZ 4.18Å
377	K	95.3	Very high	87.3	Confident	39 Å²	39	59 Å²	59	17%	0.17	30%	0.297	C	S	.	.			trans	-114.8	-50.1	-179.5	-61.4	-69.7	170.6	168.5	0	111.9	A248 T249 E253 F355 W356 D375	A248-K377 PolarHBondContact N-O 2.94Å; T249-K377 HydrophobicContact CG2-CB 3.92Å; T249-K377 HydrophobicContact CG2-CD 3.52Å; T249-K377 HydrophobicContact CG2-CG 4.32Å; T249-K377 WeakPolarHBondContact OG1-CD 3.44Å; T249-K377 PolarHBondContact OG1-NZ 3.26Å; E253-K377 IonicContact OE1-NZ 3.59Å; E253-K377 IonicContact OE2-NZ 2.8Å; E253-K377 PolarHBondContact OE2-NZ 3.15Å; F355-K377 HydrophobicContact CD2-CB 4.05Å; F355-K377 HydrophobicContact CD2-CG 3.49Å; F355-K377 VanDerWaalsContact CD2-CG 3.49Å; F355-K377 HydrophobicContact CE2-CG 3.96Å; F355-K377 HydrophobicContact CG-CG 4.39Å; F355-K377 WeakPolarHBondContact O-CB 3.42Å; F355-K377 PolarHBondContact O-N 3.31Å; W356-K377 HydrophobicContact CD2-CB 4.18Å; W356-K377 HydrophobicContact CE3-CB 3.68Å; W356-K377 HydrophobicContact CE3-CG 4.4Å; W356-K377 HydrophobicContact CH2-CB 4.11Å; W356-K377 HydrophobicContact CH2-CD 4.12Å; W356-K377 HydrophobicContact CH2-CG 4.12Å; W356-K377 HydrophobicContact CZ2-CG 4.36Å; W356-K377 HydrophobicContact CZ3-CB 3.64Å; W356-K377 HydrophobicContact CZ3-CD 4.42Å; W356-K377 HydrophobicContact CZ3-CG 4.17Å; D375-K377 PolarHBondContact O-N 3.31Å
378	V	97.6	Very high	87.3	Confident	0 Å²	0	64.1 Å²	64.1	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	127.6	-178.8	-177.8	0	0	0	0	110.1	I245 F247 V299 F355 W356 V358	I245-V378 HydrophobicContact CD1-CG1 4.36Å; I245-V378 HydrophobicContact CG2-CG1 3.3Å; F247-V378 HydrophobicContact CD1-CG2 3.89Å; F247-V378 HydrophobicContact CD2-CG2 4.46Å; F247-V378 HydrophobicContact CE1-CG2 3.67Å; F247-V378 HydrophobicContact CE2-CG1 4.29Å; F247-V378 HydrophobicContact CE2-CG2 4.26Å; F247-V378 HydrophobicContact CG-CG2 4.28Å; F247-V378 HydrophobicContact CZ-CG2 3.87Å; V299-V378 HydrophobicContact CG2-CG1 3.98Å; F355-V378 PolarHBondContact O-N 3.18Å; F355-V378 VanDerWaalsContact O-N 3.12Å; W356-V378 HydrophobicContact CE3-CG2 3.87Å; W356-V378 HydrophobicContact CZ3-CG2 4.29Å; W356-V378 VanDerWaalsContact O-CB 3.29Å; W356-V378 WeakPolarHBondContact O-CB 3.37Å; V358-V378 PolarHBondContact N-O 2.81Å
379	I	96.4	Very high	87.5	Confident	2 Å²	2	57.5 Å²	57.5	1%	0.01	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	135.4	-179.5	-60.1	77.5	0	0	0	108.2	I245 T246 A248 L360 F397 L400	I245-I379 CarbonylContact C-O 3.54Å; I245-I379 WeakPolarHBondContact CA-O 3.42Å; T246-I379 PolarHBondContact N-O 3.5Å; T246-I379 PolarHBondContact O-N 3.46Å; A248-I379 HydrophobicContact CB-CD1 4Å; L360-I379 HydrophobicContact CD1-CG2 3.53Å; L360-I379 HydrophobicContact CG-CG2 4.18Å; I379-F397 HydrophobicContact CG1-CD1 3.78Å; I379-F397 HydrophobicContact CG1-CE1 3.94Å; I379-F397 HydrophobicContact CG2-CD1 3.99Å; I379-L400 HydrophobicContact CD1-CD2 3.53Å; I379-L400 HydrophobicContact CG1-CD2 4.16Å
380	H	96.7	Very high	87.3	Confident	3 Å²	3	66 Å²	66	1%	0.014	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	113.1	-177.6	-177.3	-173	0	0	0	110.9	D242 D244 I245 N296 N357 V358 L360 N382	D242-H380 IonicContact OD2-CE1 2.73Å; D242-H380 IonicContact OD2-NE2 3.62Å; D244-H380 IonicContact OD1-CD2 2.69Å; D244-H380 PolarHBondContact OD1-CD2 3.43Å; D244-H380 IonicContact OD1-NE2 3.07Å; D244-H380 PolarHBondContact OD1-NE2 3.37Å; D244-H380 IonicContact OD2-CD2 3.93Å; D244-H380 IonicContact OD2-NE2 3.24Å; I245-H380 HydrophobicContact CD1-CB 3.41Å; I245-H380 VanDerWaalsContact CD1-CB 3.41Å; N296-H380 PolarHBondContact OD1-CE1 3.49Å; N296-H380 PolarHBondContact OD1-ND1 3.49Å; N357-H380 WeakPolarHBondContact OD1-CB 3.23Å; N357-H380 PolarHBondContact OD1-ND1 3.21Å; V358-H380 PolarHBondContact O-N 3.13Å; L360-H380 PolarHBondContact N-O 3.16Å; H380-N382 VanDerWaalsContact CE1-CB 3.45Å; H380-N382 WeakPolarHBondContact CE1-CB 3.42Å; H380-N382 VanDerWaalsContact NE2-CB 3.33Å; H380-N382 WeakPolarHBondContact NE2-CB 3.24Å; H380-N382 PolarHBondContact O-N 3.45Å
381	W	94.8	Very high	87.2	Confident	3 Å²	3	66.2 Å²	66.2	1%	0.011	32%	0.319	C	S	.	.			trans	-79.9	56.6	177.4	-63.4	94.5	0	0	0	112.4	D244 L360 S383 K386 L387 V389 V394 F397 R398 Y401	D244-W381 HydrophobicContact CB-CB 4.3Å; D244-W381 PolarHBondContact O-N 2.85Å; L360-W381 HydrophobicContact CB-CE3 4.18Å; L360-W381 HydrophobicContact CD1-CD2 4.04Å; L360-W381 HydrophobicContact CD1-CE3 3.88Å; L360-W381 HydrophobicContact CD1-CH2 3.82Å; L360-W381 HydrophobicContact CD1-CZ2 3.99Å; L360-W381 HydrophobicContact CD1-CZ3 3.77Å; W381-S383 PolarHBondContact O-N 3.12Å; W381-K386 HydrophobicContact CB-CD 4.32Å; W381-K386 WeakPolarHBondContact O-CD 3.5Å; W381-K386 PolarHBondContact O-NZ 3.26Å; W381-L387 HydrophobicContact CD2-CD2 3.84Å; W381-L387 HydrophobicContact CE3-CD2 3.98Å; W381-L387 HydrophobicContact CH2-CD2 3.68Å; W381-L387 HydrophobicContact CZ2-CD2 3.5Å; W381-L387 VanDerWaalsContact CZ2-CD2 3.5Å; W381-L387 HydrophobicContact CZ3-CD2 3.91Å; W381-V389 HydrophobicContact CE3-CG2 4.12Å; W381-V389 HydrophobicContact CZ3-CG2 3.88Å; W381-V394 HydrophobicContact CH2-CG2 4.42Å; W381-V394 HydrophobicContact CZ3-CG2 4.25Å; W381-F397 HydrophobicContact CH2-CB 3.77Å; W381-F397 HydrophobicContact CZ2-CB 3.82Å; W381-F397 WeakPolarHBondContact CZ2-O 3.45Å; W381-R398 HydrophobicContact CH2-CB 4.4Å; W381-R398 HydrophobicContact CH2-CG 3.63Å; W381-R398 HydrophobicContact CZ2-CG 4.45Å; W381-R398 HydrophobicContact CZ3-CG 4.33Å; W381-Y401 AromaticContact CD1-CD2 4Å; W381-Y401 AromaticContact NE1-CD2 3.57Å; W381-Y401 AromaticContact NE1-CG 3.93Å
382	N	91.8	Very high	87.4	Confident	30 Å²	30	62.5 Å²	62.5	16%	0.16	31%	0.309	C	S	.	.			trans	-74.8	43.5	-169.4	76.5	-37.8	0	0	0	115.1	Q359 L360 H380	Q359-N382 WeakPolarHBondContact CB-ND2 3.38Å; Q359-N382 WeakPolarHBondContact CB-OD1 3.45Å; L360-N382 PolarHBondContact N-OD1 2.9Å; L360-N382 PolarHBondContact O-OD1 3.35Å; H380-N382 VanDerWaalsContact CE1-CB 3.45Å; H380-N382 WeakPolarHBondContact CE1-CB 3.42Å; H380-N382 VanDerWaalsContact NE2-CB 3.33Å; H380-N382 WeakPolarHBondContact NE2-CB 3.24Å; H380-N382 PolarHBondContact O-N 3.45Å
383	S	89.1	Confident	87.9	Confident	5 Å²	5	60.6 Å²	60.6	4%	0.035	30%	0.297	C	S	.	.	S	Bend	trans	-135.9	146.5	178.3	173.8	0	0	0	0	110.7	W381 K385 K386 V389	W381-S383 PolarHBondContact O-N 3.12Å; S383-K385 PolarHBondContact O-N 2.99Å; S383-K385 VanDerWaalsContact O-N 3.13Å; S383-K385 PolarHBondContact OG-N 2.92Å; S383-K385 VanDerWaalsContact OG-N 3.13Å; S383-K386 WeakPolarHBondContact O-CD 3.47Å; S383-K386 WeakPolarHBondContact O-CE 3.44Å; S383-K386 PolarHBondContact O-N 3.4Å; S383-K386 PolarHBondContact O-NZ 3.08Å; S383-V389 VanDerWaalsContact CB-CG1 3.41Å; S383-V389 WeakPolarHBondContact OG-CG1 3.4Å
384	P	84.7	Confident	88.6	Confident	96 Å²	96	56.9 Å²	56.9	62%	0.623	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.3	-27.1	168.8	-21.5	30.6	0	0	0	112.9	Y216 K386	Y216-P384 HydrophobicContact CD1-CB 4.41Å; Y216-P384 HydrophobicContact CD1-CG 3.77Å; Y216-P384 HydrophobicContact CE1-CB 4.48Å; Y216-P384 HydrophobicContact CE1-CG 3.72Å; P384-K386 VanDerWaalsContact C-N 3.28Å; P384-K386 PolarHBondContact O-N 2.9Å
385	K	86.6	Confident	89.2	Confident	106 Å²	106	57.4 Å²	57.4	46%	0.461	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.6	-13.7	177.9	-67.5	176.9	-178.1	164.7	0	113	D362 S383 L387 R388 V389	D362-K385 IonicContact OD1-NZ 3.96Å; D362-K385 WeakPolarHBondContact OD2-CE 3.44Å; D362-K385 IonicContact OD2-NZ 2.81Å; D362-K385 PolarHBondContact OD2-NZ 2.85Å; S383-K385 PolarHBondContact O-N 2.99Å; S383-K385 VanDerWaalsContact O-N 3.13Å; S383-K385 PolarHBondContact OG-N 2.92Å; S383-K385 VanDerWaalsContact OG-N 3.13Å; K385-L387 PolarHBondContact O-N 2.72Å; K385-R388 HydrophobicContact CB-CB 4.22Å; K385-R388 WeakPolarHBondContact O-CA 3.23Å; K385-R388 VanDerWaalsContact O-CB 3.27Å; K385-R388 WeakPolarHBondContact O-CB 3.17Å; K385-R388 PolarHBondContact O-N 2.85Å; K385-V389 HydrophobicContact CB-CG1 3.97Å
386	K	89.7	Confident	89.6	Confident	56 Å²	56	58.6 Å²	58.6	24%	0.243	27%	0.269	C	S	.	.	G	3₁₀ helix	trans	45.2	-121.1	-178.3	-56.2	-63.7	176.2	-159.8	0	110.9	D244 W381 S383 P384 R388 V389	D244-K386 HydrophobicContact CB-CD 4.41Å; D244-K386 IonicContact OD2-NZ 3.9Å; D244-K386 PolarHBondContact OD2-NZ 2.72Å; W381-K386 HydrophobicContact CB-CD 4.32Å; W381-K386 WeakPolarHBondContact O-CD 3.5Å; W381-K386 PolarHBondContact O-NZ 3.26Å; S383-K386 WeakPolarHBondContact O-CD 3.47Å; S383-K386 WeakPolarHBondContact O-CE 3.44Å; S383-K386 PolarHBondContact O-N 3.4Å; S383-K386 PolarHBondContact O-NZ 3.08Å; P384-K386 VanDerWaalsContact C-N 3.28Å; P384-K386 PolarHBondContact O-N 2.9Å; K386-R388 PolarHBondContact O-N 2.96Å; K386-V389 WeakPolarHBondContact O-CG1 3.42Å; K386-V389 WeakPolarHBondContact O-CG2 3.32Å; K386-V389 PolarHBondContact O-N 3.4Å
387	L	87.6	Confident	89.8	Confident	41 Å²	41	58.3 Å²	58.3	22%	0.215	27%	0.267	C	S	.	.	G	3₁₀ helix	trans	-61.7	-8.5	178.7	-57.1	176.2	0	0	0	115	W381 K385 R398 Y401	W381-L387 HydrophobicContact CD2-CD2 3.84Å; W381-L387 HydrophobicContact CE3-CD2 3.98Å; W381-L387 HydrophobicContact CH2-CD2 3.68Å; W381-L387 HydrophobicContact CZ2-CD2 3.5Å; W381-L387 VanDerWaalsContact CZ2-CD2 3.5Å; W381-L387 HydrophobicContact CZ3-CD2 3.91Å; K385-L387 PolarHBondContact O-N 2.72Å; L387-R398 HydrophobicContact CD2-CG 4.5Å; L387-R398 PolarHBondContact O-NE 3.35Å; L387-R398 PolarHBondContact O-NH2 3.48Å; L387-Y401 HydrophobicContact CD1-CD1 3.77Å; L387-Y401 HydrophobicContact CD1-CE1 3.61Å; L387-Y401 HydrophobicContact CD2-CD1 3.56Å; L387-Y401 HydrophobicContact CD2-CD2 4.41Å; L387-Y401 HydrophobicContact CD2-CE1 4.01Å; L387-Y401 HydrophobicContact CD2-CG 3.78Å; L387-Y401 HydrophobicContact CG-CD1 4.22Å; L387-Y401 HydrophobicContact CG-CE1 4.24Å
388	R	87.2	Confident	89.7	Confident	194 Å²	194	60 Å²	60	73%	0.732	27%	0.273	S	S	*	.	G	3₁₀ helix	trans	-94.9	3.5	-179.2	-55.8	179.5	178	176.7	-0.2	113.6	K385 K386	K385-R388 HydrophobicContact CB-CB 4.22Å; K385-R388 WeakPolarHBondContact O-CA 3.23Å; K385-R388 VanDerWaalsContact O-CB 3.27Å; K385-R388 WeakPolarHBondContact O-CB 3.17Å; K385-R388 PolarHBondContact O-N 2.85Å; K386-R388 PolarHBondContact O-N 2.96Å
389	V	88	Confident	89.5	Confident	4 Å²	4	64.6 Å²	64.6	2%	0.024	30%	0.297	C	S	.	.			trans	-61.1	153.8	171.6	-66.6	0	0	0	0	110.9	L360 W381 S383 K385 K386 N391 V394	L360-V389 HydrophobicContact CB-CG2 4.32Å; W381-V389 HydrophobicContact CE3-CG2 4.12Å; W381-V389 HydrophobicContact CZ3-CG2 3.88Å; S383-V389 VanDerWaalsContact CB-CG1 3.41Å; S383-V389 WeakPolarHBondContact OG-CG1 3.4Å; K385-V389 HydrophobicContact CB-CG1 3.97Å; K386-V389 WeakPolarHBondContact O-CG1 3.42Å; K386-V389 WeakPolarHBondContact O-CG2 3.32Å; K386-V389 PolarHBondContact O-N 3.4Å; V389-N391 WeakPolarHBondContact CB-OD1 3.25Å; V389-N391 WeakPolarHBondContact CG2-OD1 3.43Å; V389-V394 HydrophobicContact CG2-CG2 4.13Å; V389-V394 WeakPolarHBondContact O-CG2 3.25Å
390	K	84.8	Confident	89.4	Confident	193 Å²	193	66.2 Å²	66.2	84%	0.839	31%	0.306	S	S	*	.			trans	-112.5	103.7	176.8	-66.9	-172.6	179.2	-174.5	0	109
391	N	84.3	Confident	89.4	Confident	27 Å²	27	67.3 Å²	67.3	14%	0.144	31%	0.31	C	S	.	.			trans	-128.4	157.1	176.4	-57.6	94.8	0	0	0	109.3	S361 T364 V389 H393 V394	S361-N391 PolarHBondContact O-ND2 3.05Å; T364-N391 WeakPolarHBondContact CG2-ND2 3.47Å; V389-N391 WeakPolarHBondContact CB-OD1 3.25Å; V389-N391 WeakPolarHBondContact CG2-OD1 3.43Å; N391-H393 VanDerWaalsContact C-N 3.27Å; N391-H393 PolarHBondContact O-N 3.31Å; N391-V394 HydrophobicContact CB-CB 4.19Å; N391-V394 VanDerWaalsContact O-CB 3.31Å; N391-V394 WeakPolarHBondContact O-CB 3.35Å; N391-V394 WeakPolarHBondContact O-CG1 3.41Å; N391-V394 PolarHBondContact O-N 2.87Å; N391-V394 VanDerWaalsContact O-N 3.07Å
392	K	84.1	Confident	89.4	Confident	150 Å²	150	69.7 Å²	69.7	65%	0.652	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.3	-40.4	-174	-175.5	-177.4	175.3	-176.1	0	114	E367	E367-K392 WeakPolarHBondContact OE1-CB 3.35Å; E367-K392 WeakPolarHBondContact OE2-CD 3.33Å
393	H	86.5	Confident	89.6	Confident	72 Å²	72	72 Å²	72	33%	0.333	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.5	25.8	-179.6	-49.3	128.8	0	0	0	112.6	Y370 N391 E395 F396 F397	Y370-H393 AromaticContact CE2-CE1 3.94Å; Y370-H393 AromaticContact CE2-ND1 3.31Å; Y370-H393 VanDerWaalsContact CE2-ND1 3.31Å; Y370-H393 WeakPolarHBondContact CE2-ND1 3.2Å; Y370-H393 AromaticContact CZ-ND1 3.64Å; Y370-H393 PolarHBondContact OH-ND1 3.5Å; N391-H393 VanDerWaalsContact C-N 3.27Å; N391-H393 PolarHBondContact O-N 3.31Å; H393-E395 VanDerWaalsContact C-N 3.29Å; H393-E395 PolarHBondContact O-N 2.77Å; H393-F396 WeakPolarHBondContact O-CB 3.4Å; H393-F396 PolarHBondContact O-N 2.87Å; H393-F396 VanDerWaalsContact O-N 3.16Å; H393-F397 HydrophobicContact CB-CD2 4.41Å; H393-F397 HydrophobicContact CB-CE2 4.05Å; H393-F397 VanDerWaalsContact O-CD2 3.24Å; H393-F397 WeakPolarHBondContact O-CD2 3.21Å; H393-F397 PolarHBondContact O-N 3.09Å
394	V	87.6	Confident	90	Very high	16 Å²	16	72 Å²	72	10%	0.097	34%	0.338	C	S	.	.	H	α-helix	trans	-59.5	-37.5	-171.8	70.8	0	0	0	0	113	W381 V389 N391 F396 F397 R398	W381-V394 HydrophobicContact CH2-CG2 4.42Å; W381-V394 HydrophobicContact CZ3-CG2 4.25Å; V389-V394 HydrophobicContact CG2-CG2 4.13Å; V389-V394 WeakPolarHBondContact O-CG2 3.25Å; N391-V394 HydrophobicContact CB-CB 4.19Å; N391-V394 VanDerWaalsContact O-CB 3.31Å; N391-V394 WeakPolarHBondContact O-CB 3.35Å; N391-V394 WeakPolarHBondContact O-CG1 3.41Å; N391-V394 PolarHBondContact O-N 2.87Å; N391-V394 VanDerWaalsContact O-N 3.07Å; V394-F396 VanDerWaalsContact C-N 3.3Å; V394-F396 PolarHBondContact O-N 2.93Å; V394-F397 PolarHBondContact O-N 3.4Å; V394-F397 VanDerWaalsContact O-N 3.16Å; V394-R398 HydrophobicContact CG2-CG 4.11Å; V394-R398 VanDerWaalsContact O-CG 3.26Å; V394-R398 WeakPolarHBondContact O-CG 3.35Å; V394-R398 PolarHBondContact O-N 2.99Å
395	E	89.7	Confident	90.6	Very high	105 Å²	105	68.1 Å²	68.1	49%	0.491	31%	0.311	S	S	.	.	H	α-helix	trans	-63.4	-36.4	-179.7	-64.8	-55.2	132.1	0	0	112.3	H393 R398 N399	H393-E395 VanDerWaalsContact C-N 3.29Å; H393-E395 PolarHBondContact O-N 2.77Å; E395-R398 PolarHBondContact O-N 2.79Å; E395-R398 IonicContact OE1-NH1 2.91Å; E395-R398 PolarHBondContact OE1-NH1 2.7Å; E395-R398 VanDerWaalsContact OE1-NH1 3.07Å; E395-N399 WeakPolarHBondContact O-CB 3.41Å; E395-N399 PolarHBondContact O-N 3.01Å; E395-N399 PolarHBondContact O-ND2 2.82Å
396	F	90.9	Very high	91.1	Very high	80 Å²	80	66.7 Å²	66.7	35%	0.351	31%	0.306	S	S	.	.	H	α-helix	trans	-61.4	-50	172.5	168.3	-90.8	0	0	0	111.1	V373 L376 H393 V394 R398 N399 L400	V373-F396 HydrophobicContact CG1-CE2 4.13Å; V373-F396 HydrophobicContact CG1-CZ 3.77Å; V373-F396 HydrophobicContact CG2-CE2 3.94Å; V373-F396 HydrophobicContact CG2-CZ 4.05Å; L376-F396 HydrophobicContact CD1-CD1 4.27Å; L376-F396 HydrophobicContact CD1-CE1 3.34Å; L376-F396 HydrophobicContact CD1-CZ 3.92Å; H393-F396 WeakPolarHBondContact O-CB 3.4Å; H393-F396 PolarHBondContact O-N 2.87Å; H393-F396 VanDerWaalsContact O-N 3.16Å; V394-F396 VanDerWaalsContact C-N 3.3Å; V394-F396 PolarHBondContact O-N 2.93Å; F396-R398 VanDerWaalsContact C-N 3.33Å; F396-R398 PolarHBondContact O-N 3.08Å; F396-N399 PolarHBondContact O-N 2.92Å; F396-L400 PolarHBondContact O-N 3.47Å
397	F	92.7	Very high	91.5	Very high	2 Å²	2	66.9 Å²	66.9	1%	0.009	31%	0.306	C	S	.	.	H	α-helix	trans	-63.5	-40.1	179.6	-67	-62.6	0	0	0	112.1	V358 L360 Y370 L376 I379 W381 H393 V394 L400 Y401	V358-F397 HydrophobicContact CG1-CE1 4.37Å; V358-F397 HydrophobicContact CG1-CZ 4.13Å; L360-F397 HydrophobicContact CD1-CB 3.61Å; L360-F397 HydrophobicContact CD1-CD1 4.17Å; L360-F397 HydrophobicContact CD1-CD2 3.83Å; L360-F397 HydrophobicContact CD1-CG 3.61Å; L360-F397 HydrophobicContact CD2-CD2 3.8Å; L360-F397 HydrophobicContact CD2-CE2 3.81Å; L360-F397 HydrophobicContact CD2-CG 4.35Å; L360-F397 HydrophobicContact CD2-CZ 4.36Å; L360-F397 HydrophobicContact CG-CD2 4.49Å; Y370-F397 HydrophobicContact CD1-CZ 4.41Å; Y370-F397 HydrophobicContact CE1-CE2 4.34Å; Y370-F397 AromaticContact CE1-CZ 3.78Å; Y370-F397 HydrophobicContact CE1-CZ 3.78Å; Y370-F397 HydrophobicContact CE2-CZ 4.17Å; Y370-F397 AromaticContact CZ-CE2 3.92Å; Y370-F397 AromaticContact CZ-CZ 3.65Å; L376-F397 HydrophobicContact CD1-CE1 3.76Å; L376-F397 HydrophobicContact CD1-CZ 4.32Å; L376-F397 HydrophobicContact CD2-CE1 3.9Å; L376-F397 HydrophobicContact CD2-CZ 4.18Å; I379-F397 HydrophobicContact CG1-CD1 3.78Å; I379-F397 HydrophobicContact CG1-CE1 3.94Å; I379-F397 HydrophobicContact CG2-CD1 3.99Å; W381-F397 HydrophobicContact CH2-CB 3.77Å; W381-F397 HydrophobicContact CZ2-CB 3.82Å; W381-F397 WeakPolarHBondContact CZ2-O 3.45Å; H393-F397 HydrophobicContact CB-CD2 4.41Å; H393-F397 HydrophobicContact CB-CE2 4.05Å; H393-F397 VanDerWaalsContact O-CD2 3.24Å; H393-F397 WeakPolarHBondContact O-CD2 3.21Å; H393-F397 PolarHBondContact O-N 3.09Å; V394-F397 PolarHBondContact O-N 3.4Å; V394-F397 VanDerWaalsContact O-N 3.16Å; F397-L400 PolarHBondContact O-N 3.44Å; F397-Y401 PolarHBondContact O-N 2.92Å
398	R	93	Very high	92	Very high	76 Å²	76	68 Å²	68	29%	0.287	31%	0.312	S	S	.	.	H	α-helix	trans	-60.8	-46.1	175.5	-70.6	173.6	104.8	177.3	6.9	110.8	W381 L387 V394 E395 F396 L400 Y401 L402	W381-R398 HydrophobicContact CH2-CB 4.4Å; W381-R398 HydrophobicContact CH2-CG 3.63Å; W381-R398 HydrophobicContact CZ2-CG 4.45Å; W381-R398 HydrophobicContact CZ3-CG 4.33Å; L387-R398 HydrophobicContact CD2-CG 4.5Å; L387-R398 PolarHBondContact O-NE 3.35Å; L387-R398 PolarHBondContact O-NH2 3.48Å; V394-R398 HydrophobicContact CG2-CG 4.11Å; V394-R398 VanDerWaalsContact O-CG 3.26Å; V394-R398 WeakPolarHBondContact O-CG 3.35Å; V394-R398 PolarHBondContact O-N 2.99Å; E395-R398 PolarHBondContact O-N 2.79Å; E395-R398 IonicContact OE1-NH1 2.91Å; E395-R398 PolarHBondContact OE1-NH1 2.7Å; E395-R398 VanDerWaalsContact OE1-NH1 3.07Å; F396-R398 VanDerWaalsContact C-N 3.33Å; F396-R398 PolarHBondContact O-N 3.08Å; R398-L400 VanDerWaalsContact C-N 3.31Å; R398-L400 PolarHBondContact O-N 2.73Å; R398-Y401 PolarHBondContact O-N 3.21Å; R398-L402 WeakPolarHBondContact O-CB 3.27Å; R398-L402 WeakPolarHBondContact O-CG 3.29Å; R398-L402 PolarHBondContact O-N 2.77Å
399	N	93.8	Very high	92.4	Very high	95 Å²	95	58.8 Å²	58.8	51%	0.508	28%	0.277	S	S	.	.	H	α-helix	trans	-61.6	-41.1	178.3	-71	-17.7	0	0	0	111.7	E395 F396 L402 T403	E395-N399 WeakPolarHBondContact O-CB 3.41Å; E395-N399 PolarHBondContact O-N 3.01Å; E395-N399 PolarHBondContact O-ND2 2.82Å; F396-N399 PolarHBondContact O-N 2.92Å; N399-L402 PolarHBondContact O-N 3.09Å; N399-T403 PolarHBondContact O-N 3.42Å; N399-T403 PolarHBondContact O-OG1 3.23Å
400	L	93.7	Very high	92.8	Very high	37 Å²	37	59.4 Å²	59.4	19%	0.194	28%	0.281	C	S	.	.	H	α-helix	trans	-61.8	-46.4	174.8	-178.3	64.1	0	0	0	112	A248 I379 F396 F397 R398 T403 F404	A248-L400 HydrophobicContact CB-CD2 4.23Å; I379-L400 HydrophobicContact CD1-CD2 3.53Å; I379-L400 HydrophobicContact CG1-CD2 4.16Å; F396-L400 PolarHBondContact O-N 3.47Å; F397-L400 PolarHBondContact O-N 3.44Å; R398-L400 VanDerWaalsContact C-N 3.31Å; R398-L400 PolarHBondContact O-N 2.73Å; L400-T403 WeakPolarHBondContact O-CB 3.3Å; L400-T403 PolarHBondContact O-N 3.12Å; L400-F404 HydrophobicContact CD1-CE2 3.84Å; L400-F404 HydrophobicContact CG-CE2 4.34Å; L400-F404 WeakPolarHBondContact O-CD2 3.13Å
401	Y	95.8	Very high	93.3	Very high	26 Å²	26	53.8 Å²	53.8	10%	0.102	26%	0.259	C	S	.	.	H	α-helix	trans	-61.3	-47.6	175.3	175.3	-89.2	0	0	0	111.8	T155 W381 L387 F397 R398 T403 F404 L405	T155-Y401 HydrophobicContact CG2-CD2 3.9Å; T155-Y401 HydrophobicContact CG2-CE2 3.6Å; W381-Y401 AromaticContact CD1-CD2 4Å; W381-Y401 AromaticContact NE1-CD2 3.57Å; W381-Y401 AromaticContact NE1-CG 3.93Å; L387-Y401 HydrophobicContact CD1-CD1 3.77Å; L387-Y401 HydrophobicContact CD1-CE1 3.61Å; L387-Y401 HydrophobicContact CD2-CD1 3.56Å; L387-Y401 HydrophobicContact CD2-CD2 4.41Å; L387-Y401 HydrophobicContact CD2-CE1 4.01Å; L387-Y401 HydrophobicContact CD2-CG 3.78Å; L387-Y401 HydrophobicContact CG-CD1 4.22Å; L387-Y401 HydrophobicContact CG-CE1 4.24Å; F397-Y401 PolarHBondContact O-N 2.92Å; R398-Y401 PolarHBondContact O-N 3.21Å; Y401-T403 PolarHBondContact O-N 2.85Å; Y401-F404 PolarHBondContact O-N 2.67Å; Y401-F404 VanDerWaalsContact O-N 3.16Å; Y401-L405 HydrophobicContact CD1-CB 4.39Å; Y401-L405 HydrophobicContact CE1-CB 4.13Å; Y401-L405 HydrophobicContact CE1-CD1 4.16Å; Y401-L405 HydrophobicContact CE1-CD2 3.92Å; Y401-L405 HydrophobicContact CE1-CG 4.29Å; Y401-L405 WeakPolarHBondContact O-CB 3.11Å; Y401-L405 PolarHBondContact O-N 2.94Å
402	L	95.9	Very high	93.8	Very high	53 Å²	53	53.2 Å²	53.2	28%	0.277	26%	0.256	S	S	.	.	H	α-helix	trans	-61.6	-32.4	179.9	-71.9	174.3	0	0	0	112	R398 N399 F404 L405 E406	R398-L402 WeakPolarHBondContact O-CB 3.27Å; R398-L402 WeakPolarHBondContact O-CG 3.29Å; R398-L402 PolarHBondContact O-N 2.77Å; N399-L402 PolarHBondContact O-N 3.09Å; L402-F404 VanDerWaalsContact C-N 3.35Å; L402-F404 PolarHBondContact O-N 2.72Å; L402-L405 HydrophobicContact CD2-CD2 3.78Å; L402-L405 PolarHBondContact O-N 3.09Å; L402-E406 WeakPolarHBondContact O-CB 3.18Å; L402-E406 PolarHBondContact O-N 3.07Å
403	T	96.4	Very high	94.1	Very high	78 Å²	78	47.9 Å²	47.9	48%	0.479	23%	0.232	S	C	.	.	H	α-helix	trans	-56.7	-50	175.1	-61.5	0	0	0	0	110.2	N399 L400 Y401 Y407	N399-T403 PolarHBondContact O-N 3.42Å; N399-T403 PolarHBondContact O-OG1 3.23Å; L400-T403 WeakPolarHBondContact O-CB 3.3Å; L400-T403 PolarHBondContact O-N 3.12Å; Y401-T403 PolarHBondContact O-N 2.85Å; T403-Y407 WeakPolarHBondContact O-CA 3.44Å; T403-Y407 VanDerWaalsContact O-CB 3.25Å; T403-Y407 WeakPolarHBondContact O-CB 3.42Å; T403-Y407 PolarHBondContact O-N 2.68Å
404	F	97.7	Very high	94.1	Very high	6 Å²	6	52.6 Å²	52.6	3%	0.026	25%	0.247	C	C	.	.	H	α-helix	trans	-77	-32.6	179.3	-64.4	-63.9	0	0	0	113.3	T155 K158 F162 H163 T246 F247 L400 Y401 L402 E406 Y407	T155-F404 HydrophobicContact CG2-CB 3.93Å; K158-F404 WeakPolarHBondContact CD-O 3.44Å; K158-F404 PolarHBondContact NZ-O 2.73Å; F162-F404 HydrophobicContact CB-CD1 4.36Å; F162-F404 HydrophobicContact CB-CE1 3.74Å; F162-F404 AromaticContact CD1-CE1 3.72Å; F162-F404 HydrophobicContact CD1-CE1 3.72Å; F162-F404 HydrophobicContact CD1-CZ 4.13Å; F162-F404 HydrophobicContact CD2-CE1 4.23Å; F162-F404 HydrophobicContact CE1-CE1 4.38Å; F162-F404 AromaticContact CG-CE1 3.64Å; F162-F404 HydrophobicContact CG-CE1 3.64Å; F162-F404 HydrophobicContact CG-CZ 4.48Å; H163-F404 AromaticContact NE2-CZ 3.59Å; T246-F404 HydrophobicContact CG2-CD2 3.55Å; T246-F404 HydrophobicContact CG2-CE2 3.92Å; F247-F404 WeakPolarHBondContact O-CE2 3.24Å; L400-F404 HydrophobicContact CD1-CE2 3.84Å; L400-F404 HydrophobicContact CG-CE2 4.34Å; L400-F404 WeakPolarHBondContact O-CD2 3.13Å; Y401-F404 PolarHBondContact O-N 2.67Å; Y401-F404 VanDerWaalsContact O-N 3.16Å; L402-F404 VanDerWaalsContact C-N 3.35Å; L402-F404 PolarHBondContact O-N 2.72Å; F404-E406 VanDerWaalsContact C-N 3.33Å; F404-E406 PolarHBondContact O-N 3.42Å; F404-Y407 PolarHBondContact O-N 2.69Å
405	L	96.9	Very high	93.9	Very high	14 Å²	14	58.3 Å²	58.3	7%	0.073	27%	0.272	C	S	.	.	H	α-helix	trans	-58.1	-48.7	175.6	-175.8	71.9	0	0	0	110.6	T155 K158 Y401 L402 Q511	T155-L405 HydrophobicContact CG2-CB 4.28Å; T155-L405 WeakPolarHBondContact OG1-CD1 3.41Å; K158-L405 PolarHBondContact NZ-O 3.33Å; Y401-L405 HydrophobicContact CD1-CB 4.39Å; Y401-L405 HydrophobicContact CE1-CB 4.13Å; Y401-L405 HydrophobicContact CE1-CD1 4.16Å; Y401-L405 HydrophobicContact CE1-CD2 3.92Å; Y401-L405 HydrophobicContact CE1-CG 4.29Å; Y401-L405 WeakPolarHBondContact O-CB 3.11Å; Y401-L405 PolarHBondContact O-N 2.94Å; L402-L405 HydrophobicContact CD2-CD2 3.78Å; L402-L405 PolarHBondContact O-N 3.09Å; L405-Q511 HydrophobicContact CD1-CG 4.35Å; L405-Q511 HydrophobicContact CD2-CG 3.64Å; L405-Q511 VanDerWaalsContact CG-CD 3.46Å; L405-Q511 HydrophobicContact CG-CG 3.68Å
406	E	97.2	Very high	93.6	Very high	75 Å²	75	58.2 Å²	58.2	35%	0.35	27%	0.274	S	S	.	.	H	α-helix	trans	-90.6	-7.7	-176.3	-59.9	-173.3	170.3	0	0	113.4	L402 F404 D408 A508 Q511	L402-E406 WeakPolarHBondContact O-CB 3.18Å; L402-E406 PolarHBondContact O-N 3.07Å; F404-E406 VanDerWaalsContact C-N 3.33Å; F404-E406 PolarHBondContact O-N 3.42Å; E406-D408 PolarHBondContact O-N 2.95Å; E406-A508 HydrophobicContact CB-CB 4.08Å; E406-A508 HydrophobicContact CG-CB 4.28Å; E406-Q511 HydrophobicContact CG-CG 4.27Å
407	Y	97.7	Very high	93.2	Very high	61 Å²	61	55.6 Å²	55.6	24%	0.239	26%	0.263	C	S	.	.	S	Bend	trans	-58.1	134	177.5	-164.7	-97.7	0	0	0	111.3	K158 F162 T403 F404 G409 L411 L412 D507	K158-Y407 WeakPolarHBondContact CE-O 3.43Å; K158-Y407 PolarHBondContact NZ-O 3.37Å; F162-Y407 HydrophobicContact CD2-CE1 4.19Å; F162-Y407 HydrophobicContact CD2-CE2 4Å; F162-Y407 AromaticContact CD2-CZ 3.76Å; F162-Y407 AromaticContact CE2-CE2 3.75Å; F162-Y407 HydrophobicContact CE2-CE2 3.75Å; F162-Y407 AromaticContact CE2-CZ 3.79Å; T403-Y407 WeakPolarHBondContact O-CA 3.44Å; T403-Y407 VanDerWaalsContact O-CB 3.25Å; T403-Y407 WeakPolarHBondContact O-CB 3.42Å; T403-Y407 PolarHBondContact O-N 2.68Å; F404-Y407 PolarHBondContact O-N 2.69Å; Y407-G409 PolarHBondContact O-N 2.86Å; Y407-L411 HydrophobicContact CE1-CB 4.02Å; Y407-L411 HydrophobicContact CE1-CD1 4.32Å; Y407-L412 HydrophobicContact CD1-CD1 4.3Å; Y407-L412 HydrophobicContact CD1-CG 4.35Å; Y407-L412 HydrophobicContact CE1-CD1 4.39Å; Y407-L412 HydrophobicContact CE1-CD2 3.99Å; Y407-L412 HydrophobicContact CE1-CG 3.97Å; Y407-D507 WeakPolarHBondContact O-CB 3.32Å; Y407-D507 VanDerWaalsContact O-CG 3.29Å
408	D	97.2	Very high	92.5	Very high	65 Å²	65	58 Å²	58	35%	0.348	29%	0.288	S	S	.	.			trans	-65.1	109.5	176.5	-177.9	-7	0	0	0	110.3	E406 N410 L411	E406-D408 PolarHBondContact O-N 2.95Å; D408-N410 PolarHBondContact O-N 3.39Å; D408-N410 VanDerWaalsContact OD1-CB 3.29Å; D408-N410 WeakPolarHBondContact OD1-CB 3.46Å; D408-N410 PolarHBondContact OD1-N 2.9Å; D408-N410 PolarHBondContact OD1-ND2 3.01Å; D408-L411 HydrophobicContact CB-CD1 4.03Å; D408-L411 HydrophobicContact CB-CG 4.04Å; D408-L411 PolarHBondContact O-N 3.35Å
409	G	97	Very high	92.1	Very high	0 Å²	0	55 Å²	55	0%	0	28%	0.279	C	S	.	.	G	3₁₀ helix	trans	-61.4	-26	-179.5	0	0	0	0	0	113.5	W189 Y407 L411 L412 D507	W189-G409 PolarHBondContact NE1-O 3.32Å; Y407-G409 PolarHBondContact O-N 2.86Å; G409-L411 PolarHBondContact O-N 3.37Å; G409-L412 WeakPolarHBondContact O-CB 3.39Å; G409-L412 PolarHBondContact O-N 3Å; G409-L412 VanDerWaalsContact O-N 3.13Å; G409-D507 PolarHBondContact N-OD2 3.29Å; G409-D507 VanDerWaalsContact N-OD2 3.15Å
410	N	95	Very high	91	Very high	17 Å²	17	56.7 Å²	56.7	9%	0.091	30%	0.295	C	S	.	.	G	3₁₀ helix	trans	-67.9	-27.1	-178.3	-62.1	-35.1	0	0	0	111.9	D408 L412 R413 K536	D408-N410 PolarHBondContact O-N 3.39Å; D408-N410 VanDerWaalsContact OD1-CB 3.29Å; D408-N410 WeakPolarHBondContact OD1-CB 3.46Å; D408-N410 PolarHBondContact OD1-N 2.9Å; D408-N410 PolarHBondContact OD1-ND2 3.01Å; N410-L412 PolarHBondContact O-N 3.38Å; N410-L412 VanDerWaalsContact O-N 3.15Å; N410-R413 WeakPolarHBondContact O-CB 3.48Å; N410-R413 PolarHBondContact O-N 2.9Å; N410-R413 VanDerWaalsContact O-N 3.14Å; N410-K536 PolarHBondContact ND2-O 3.43Å
411	L	95.4	Very high	89.8	Confident	74 Å²	74	58.5 Å²	58.5	39%	0.387	31%	0.311	S	S	.	.	G	3₁₀ helix	trans	-64.5	-17.9	175.5	-61.2	178.7	0	0	0	113.1	Y407 D408 G409 R413	Y407-L411 HydrophobicContact CE1-CB 4.02Å; Y407-L411 HydrophobicContact CE1-CD1 4.32Å; D408-L411 HydrophobicContact CB-CD1 4.03Å; D408-L411 HydrophobicContact CB-CG 4.04Å; D408-L411 PolarHBondContact O-N 3.35Å; G409-L411 PolarHBondContact O-N 3.37Å; L411-R413 VanDerWaalsContact C-N 3.34Å
412	L	95.3	Very high	88.2	Confident	15 Å²	15	64.6 Å²	64.6	8%	0.079	34%	0.34	C	S	.	.	G	3₁₀ helix	trans	-85.8	-3.5	179.1	-60.3	170.2	0	0	0	113.3	K158 L161 F162 W189 Y407 G409 N410 R414	K158-L412 HydrophobicContact CB-CD1 4.11Å; K158-L412 HydrophobicContact CG-CD1 3.94Å; L161-L412 HydrophobicContact CB-CD1 4.02Å; L161-L412 HydrophobicContact CB-CD2 4.25Å; L161-L412 HydrophobicContact CB-CG 4.5Å; L161-L412 HydrophobicContact CD1-CD1 4.32Å; F162-L412 HydrophobicContact CB-CD2 4.27Å; W189-L412 HydrophobicContact CZ2-CB 4.49Å; W189-L412 HydrophobicContact CZ2-CD1 3.84Å; Y407-L412 HydrophobicContact CD1-CD1 4.3Å; Y407-L412 HydrophobicContact CD1-CG 4.35Å; Y407-L412 HydrophobicContact CE1-CD1 4.39Å; Y407-L412 HydrophobicContact CE1-CD2 3.99Å; Y407-L412 HydrophobicContact CE1-CG 3.97Å; G409-L412 WeakPolarHBondContact O-CB 3.39Å; G409-L412 PolarHBondContact O-N 3Å; G409-L412 VanDerWaalsContact O-N 3.13Å; N410-L412 PolarHBondContact O-N 3.38Å; N410-L412 VanDerWaalsContact O-N 3.15Å; L412-R414 PolarHBondContact O-N 3.47Å
413	R	91.3	Very high	86.4	Confident	39 Å²	39	64.7 Å²	64.7	15%	0.147	35%	0.349	C	S	.	.	G	3₁₀ helix	trans	-73.7	-9.9	173.4	-70.9	-177.2	174.1	162.6	-1.5	114.3	T188 W189 P192 N410 L411 E415 V453 E537	T188-R413 PolarHBondContact O-NH2 3.35Å; W189-R413 WeakPolarHBondContact O-CD 3.47Å; W189-R413 WeakPolarHBondContact O-CG 3.4Å; W189-R413 PolarHBondContact O-NE 3.3Å; P192-R413 WeakPolarHBondContact CD-O 3.18Å; P192-R413 VanDerWaalsContact CG-O 3.27Å; P192-R413 WeakPolarHBondContact CG-O 3.44Å; N410-R413 WeakPolarHBondContact O-CB 3.48Å; N410-R413 PolarHBondContact O-N 2.9Å; N410-R413 VanDerWaalsContact O-N 3.14Å; L411-R413 VanDerWaalsContact C-N 3.34Å; R413-E415 PolarHBondContact O-N 3.12Å; R413-V453 PolarHBondContact NH1-O 3.47Å; R413-V453 VanDerWaalsContact NH1-O 3.09Å; R413-V453 PolarHBondContact NH2-O 2.73Å; R413-E537 IonicContact CZ-OE2 3.48Å; R413-E537 IonicContact NH1-OE1 3.63Å; R413-E537 PolarHBondContact NH1-OE1 2.89Å; R413-E537 IonicContact NH1-OE2 3.6Å; R413-E537 PolarHBondContact NH1-OE2 2.04Å; R413-E537 IonicContact NH2-OE2 2.76Å
414	R	86.6	Confident	85	Confident	171 Å²	171	64.2 Å²	64.2	65%	0.645	34%	0.344	S	S	*	.	S	Bend	trans	-65.7	132.8	-179.4	-67.6	-179.2	177.8	176.7	0.7	110.1	L412 L416	L412-R414 PolarHBondContact O-N 3.47Å; R414-L416 HydrophobicContact CB-CD2 4.32Å; R414-L416 PolarHBondContact O-N 3.14Å
415	E	83.3	Confident	83.7	Confident	136 Å²	136	68.3 Å²	68.3	64%	0.636	37%	0.369	S	S	*	.			trans	-68.9	118.5	168.4	-167.8	-178.8	174.8	0	0	108.8	P192 R413	P192-E415 HydrophobicContact CB-CB 4.43Å; P192-E415 HydrophobicContact CB-CG 4.42Å; P192-E415 HydrophobicContact CG-CB 4.34Å; R413-E415 PolarHBondContact O-N 3.12Å
416	L	82.5	Confident	82.6	Confident	102 Å²	102	71.7 Å²	71.7	53%	0.534	39%	0.387	S	S	.	.			trans	-98.8	-25.6	-174.2	-60.2	179.7	0	0	0	112.6	R164 R414	R164-L416 HydrophobicContact CG-CD1 4.32Å; R414-L416 HydrophobicContact CB-CD2 4.32Å; R414-L416 PolarHBondContact O-N 3.14Å
417	F	82	Confident	81.6	Confident	25 Å²	25	70.3 Å²	70.3	11%	0.11	39%	0.386	C	S	.	.	S	Bend	trans	-151.7	133.6	-174.6	43.4	-95.8	0	0	0	110.1	R164 N166 P167 A193 C419	R164-F417 HydrophobicContact CG-CE1 4.27Å; N166-F417 VanDerWaalsContact O-CZ 3.24Å; N166-F417 WeakPolarHBondContact O-CZ 3.29Å; P167-F417 HydrophobicContact CG-CE2 3.94Å; A193-F417 HydrophobicContact CB-CE2 3.71Å; A193-F417 HydrophobicContact CB-CZ 4.2Å; F417-C419 HydrophobicContact CD2-CB 4.23Å; F417-C419 PolarHBondContact O-N 3.43Å; F417-C419 VanDerWaalsContact O-N 3.16Å
418	G	78.6	Confident	80.8	Confident	53 Å²	53	72.7 Å²	72.7	55%	0.546	40%	0.399	S	S	.	.			trans	-75.9	99.9	172.9	0	0	0	0	0	110.5
419	C	83.9	Confident	80.1	Confident	14 Å²	14	73.6 Å²	73.6	10%	0.095	40%	0.404	C	S	.	.			trans	-124.2	150.4	168.5	-74.2	0	0	0	0	108.7	C135 P167 F417 S421	C135-C419 WeakPolarHBondContact CA-SG 3.46Å; C135-C419 HydrophobicContact CB-CB 3.78Å; C135-C419 WeakPolarHBondContact CB-SG 3.24Å; C135-C419 WeakPolarHBondContact SG-CA 3.49Å; C135-C419 WeakPolarHBondContact SG-CB 3.46Å; C135-C419 CovalentContact SG-SG 2.05Å; C135-C419 PolarHBondContact SG-SG 2.88Å; P167-C419 HydrophobicContact CG-CB 4.07Å; F417-C419 HydrophobicContact CD2-CB 4.23Å; F417-C419 PolarHBondContact O-N 3.43Å; F417-C419 VanDerWaalsContact O-N 3.16Å; C419-S421 PolarHBondContact O-N 2.63Å
420	P	72.1	Confident	79.5	Confident	130 Å²	130	75 Å²	75	84%	0.844	41%	0.411	S	S	*	.			trans	-61.4	107.8	174.2	-15	28.1	0	0	0	108.9
421	S	67.3	Low	79	Confident	75 Å²	75	81 Å²	81	52%	0.524	44%	0.438	S	S	.	.			trans	-97.8	146.3	167.8	54.5	0	0	0	0	108.9	C419 A423	C419-S421 PolarHBondContact O-N 2.63Å; S421-A423 PolarHBondContact O-N 2.99Å; S421-A423 VanDerWaalsContact O-N 3.11Å
422	E	63.9	Low	78.6	Confident	153 Å²	153	83.2 Å²	83.2	72%	0.715	45%	0.445	S	S	*	.			trans	-52.8	122.6	159.1	-72.7	175.5	163.3	0	0	106.8	R195 D424	R195-E422 IonicContact NH1-OE1 3.58Å; R195-E422 PolarHBondContact NH1-OE1 3.18Å; R195-E422 IonicContact NH1-OE2 2.88Å; R195-E422 PolarHBondContact NH1-OE2 3.16Å; R195-E422 VanDerWaalsContact NH1-OE2 3.07Å; E422-D424 PolarHBondContact O-N 3.22Å
423	A	56.6	Low	78.2	Confident	55 Å²	55	86.5 Å²	86.5	46%	0.455	46%	0.46	S	S	.	.			trans	-57.3	108.6	175.2	0	0	0	0	0	108.1	S421 V425 E428	S421-A423 PolarHBondContact O-N 2.99Å; S421-A423 VanDerWaalsContact O-N 3.11Å; A423-V425 PolarHBondContact O-N 3.29Å; A423-E428 HydrophobicContact CB-CG 4.36Å; A423-E428 WeakPolarHBondContact CB-OE1 3.42Å
424	D	67.8	Low	78	Confident	69 Å²	69	87.8 Å²	87.8	37%	0.369	47%	0.469	S	S	.	.			trans	-69.6	104.8	168.6	-177.5	-3.4	0	0	0	106.5	E422 N426 S427 E428	E422-D424 PolarHBondContact O-N 3.22Å; D424-N426 PolarHBondContact O-N 3.15Å; D424-N426 WeakPolarHBondContact OD1-CB 3.48Å; D424-N426 PolarHBondContact OD1-N 2.98Å; D424-N426 VanDerWaalsContact OD1-N 3.08Å; D424-N426 PolarHBondContact OD1-ND2 3Å; D424-S427 WeakPolarHBondContact O-CA 3.42Å; D424-S427 WeakPolarHBondContact O-CB 3.36Å; D424-S427 PolarHBondContact O-N 3.12Å; D424-E428 PolarHBondContact O-N 3.26Å; D424-E428 VanDerWaalsContact O-N 3.13Å
425	V	70.3	Confident	78	Confident	91 Å²	91	84 Å²	84	55%	0.552	47%	0.469	S	S	*	.	H	α-helix	trans	-47.9	-31.8	179.7	178.1	0	0	0	0	111.4	A423 N429	A423-V425 PolarHBondContact O-N 3.29Å; V425-N429 VanDerWaalsContact O-CB 3.27Å; V425-N429 WeakPolarHBondContact O-CB 3.45Å; V425-N429 VanDerWaalsContact O-CG 3.22Å; V425-N429 PolarHBondContact O-N 3.09Å; V425-N429 PolarHBondContact O-ND2 3.4Å
426	N	73	Confident	78.4	Confident	85 Å²	85	83.8 Å²	83.8	46%	0.455	47%	0.468	S	S	.	.	H	α-helix	trans	-69	-40.6	177	-60	-56.1	0	0	0	112.6	D424 L430	D424-N426 PolarHBondContact O-N 3.15Å; D424-N426 WeakPolarHBondContact OD1-CB 3.48Å; D424-N426 PolarHBondContact OD1-N 2.98Å; D424-N426 VanDerWaalsContact OD1-N 3.08Å; D424-N426 PolarHBondContact OD1-ND2 3Å; N426-L430 VanDerWaalsContact O-CB 3.31Å; N426-L430 WeakPolarHBondContact O-CB 3.45Å; N426-L430 PolarHBondContact O-N 3.37Å
427	S	77.7	Confident	78.7	Confident	47 Å²	47	80.3 Å²	80.3	33%	0.329	45%	0.45	S	S	.	.	H	α-helix	trans	-69	-41.8	178.8	-65.6	0	0	0	0	111.3	D424 L430 Q431	D424-S427 WeakPolarHBondContact O-CA 3.42Å; D424-S427 WeakPolarHBondContact O-CB 3.36Å; D424-S427 PolarHBondContact O-N 3.12Å; S427-L430 PolarHBondContact O-N 2.88Å; S427-Q431 WeakPolarHBondContact O-CB 3.47Å; S427-Q431 PolarHBondContact O-N 2.92Å
428	E	79.4	Confident	79.1	Confident	111 Å²	111	83.6 Å²	83.6	52%	0.519	47%	0.469	S	S	.	.	H	α-helix	trans	-64.1	-45	175.3	-68.5	-170.4	156.8	0	0	111.9	A423 D424 L430 Q431 K432	A423-E428 HydrophobicContact CB-CG 4.36Å; A423-E428 WeakPolarHBondContact CB-OE1 3.42Å; D424-E428 PolarHBondContact O-N 3.26Å; D424-E428 VanDerWaalsContact O-N 3.13Å; E428-L430 VanDerWaalsContact C-N 3.31Å; E428-L430 PolarHBondContact O-N 3.42Å; E428-Q431 PolarHBondContact O-N 2.85Å; E428-K432 WeakPolarHBondContact O-CB 3.19Å; E428-K432 PolarHBondContact O-N 3.19Å
429	N	82.8	Confident	79.6	Confident	84 Å²	84	88.2 Å²	88.2	45%	0.449	48%	0.476	S	S	.	.	H	α-helix	trans	-61.4	-41.1	176	-79.6	-25.3	0	0	0	111.8	V425 K432 Q433	V425-N429 VanDerWaalsContact O-CB 3.27Å; V425-N429 WeakPolarHBondContact O-CB 3.45Å; V425-N429 VanDerWaalsContact O-CG 3.22Å; V425-N429 PolarHBondContact O-N 3.09Å; V425-N429 PolarHBondContact O-ND2 3.4Å; N429-K432 PolarHBondContact O-N 3.08Å; N429-Q433 WeakPolarHBondContact O-CB 3.29Å; N429-Q433 VanDerWaalsContact O-CG 3.31Å; N429-Q433 WeakPolarHBondContact O-CG 3.47Å; N429-Q433 PolarHBondContact O-N 2.61Å
430	L	85.1	Confident	79.9	Confident	28 Å²	28	94.6 Å²	94.6	15%	0.147	51%	0.509	C	S	.	.	H	α-helix	trans	-63.8	-46.5	176.3	177.3	61.1	0	0	0	111.3	M190 N426 S427 E428 K432 Q433 L434 F451 V453	M190-L430 HydrophobicContact CE-CD2 3.8Å; M190-L430 HydrophobicContact SD-CD2 4.09Å; N426-L430 VanDerWaalsContact O-CB 3.31Å; N426-L430 WeakPolarHBondContact O-CB 3.45Å; N426-L430 PolarHBondContact O-N 3.37Å; S427-L430 PolarHBondContact O-N 2.88Å; E428-L430 VanDerWaalsContact C-N 3.31Å; E428-L430 PolarHBondContact O-N 3.42Å; L430-K432 VanDerWaalsContact C-N 3.3Å; L430-K432 PolarHBondContact O-N 3.25Å; L430-Q433 PolarHBondContact O-N 3.36Å; L430-L434 HydrophobicContact CD1-CD1 4.09Å; L430-L434 HydrophobicContact CD1-CG 4.18Å; L430-L434 HydrophobicContact CG-CD1 4.01Å; L430-L434 WeakPolarHBondContact O-CB 3.46Å; L430-L434 VanDerWaalsContact O-CG 3.32Å; L430-L434 WeakPolarHBondContact O-CG 3.09Å; L430-L434 PolarHBondContact O-N 2.65Å; L430-F451 HydrophobicContact CD1-CB 4Å; L430-F451 WeakPolarHBondContact CD1-O 3.37Å; L430-V453 HydrophobicContact CD2-CG2 3.92Å
431	Q	84.3	Confident	80.8	Confident	143 Å²	143	89.8 Å²	89.8	67%	0.668	48%	0.477	S	S	*	.	H	α-helix	trans	-62.8	-39.9	178.9	-172	168.7	6.7	0	0	111.5	S427 E428 L434 S435	S427-Q431 WeakPolarHBondContact O-CB 3.47Å; S427-Q431 PolarHBondContact O-N 2.92Å; E428-Q431 PolarHBondContact O-N 2.85Å; Q431-L434 PolarHBondContact O-N 3.44Å; Q431-S435 WeakPolarHBondContact O-CB 3.34Å; Q431-S435 PolarHBondContact O-N 3.43Å; Q431-S435 PolarHBondContact O-OG 3.29Å
432	K	86.5	Confident	81.9	Confident	122 Å²	122	91.1 Å²	91.1	53%	0.53	48%	0.477	S	S	.	.	H	α-helix	trans	-59.9	-51.6	173	-175.7	-179.4	176.4	-177.5	0	111.3	E428 N429 L430 L434 S435 E436	E428-K432 WeakPolarHBondContact O-CB 3.19Å; E428-K432 PolarHBondContact O-N 3.19Å; N429-K432 PolarHBondContact O-N 3.08Å; L430-K432 VanDerWaalsContact C-N 3.3Å; L430-K432 PolarHBondContact O-N 3.25Å; K432-L434 VanDerWaalsContact C-N 3.28Å; K432-L434 PolarHBondContact O-N 3.37Å; K432-S435 WeakPolarHBondContact CA-OG 3.18Å; K432-S435 PolarHBondContact O-N 2.87Å; K432-S435 VanDerWaalsContact O-N 3.12Å; K432-S435 PolarHBondContact O-OG 3.32Å; K432-E436 WeakPolarHBondContact CE-OE1 3.27Å; K432-E436 WeakPolarHBondContact O-CG 3.5Å; K432-E436 PolarHBondContact O-N 3.07Å
433	Q	86.7	Confident	83.3	Confident	83 Å²	83	83.9 Å²	83.9	39%	0.388	44%	0.443	S	S	.	.	H	α-helix	trans	-58.6	-39.3	178.1	-75.8	178.9	-29	0	0	112.6	N429 L430 F451	N429-Q433 WeakPolarHBondContact O-CB 3.29Å; N429-Q433 VanDerWaalsContact O-CG 3.31Å; N429-Q433 WeakPolarHBondContact O-CG 3.47Å; N429-Q433 PolarHBondContact O-N 2.61Å; L430-Q433 PolarHBondContact O-N 3.36Å; Q433-F451 HydrophobicContact CB-CD1 4.29Å; Q433-F451 HydrophobicContact CB-CE1 4.29Å; Q433-F451 HydrophobicContact CB-CG 4.48Å; Q433-F451 HydrophobicContact CB-CZ 4.46Å; Q433-F451 HydrophobicContact CG-CE1 4.33Å
434	L	87.2	Confident	85.1	Confident	67 Å²	67	83.4 Å²	83.4	35%	0.351	43%	0.43	S	S	.	.	H	α-helix	trans	-69.8	-37.5	176.5	-70.7	172.3	0	0	0	112.3	L430 Q431 K432 E436 L437 R448 F451	L430-L434 HydrophobicContact CD1-CD1 4.09Å; L430-L434 HydrophobicContact CD1-CG 4.18Å; L430-L434 HydrophobicContact CG-CD1 4.01Å; L430-L434 WeakPolarHBondContact O-CB 3.46Å; L430-L434 VanDerWaalsContact O-CG 3.32Å; L430-L434 WeakPolarHBondContact O-CG 3.09Å; L430-L434 PolarHBondContact O-N 2.65Å; Q431-L434 PolarHBondContact O-N 3.44Å; K432-L434 VanDerWaalsContact C-N 3.28Å; K432-L434 PolarHBondContact O-N 3.37Å; L434-E436 VanDerWaalsContact C-N 3.29Å; L434-E436 PolarHBondContact O-N 3.31Å; L434-L437 HydrophobicContact CD2-CD1 4.07Å; L434-L437 WeakPolarHBondContact O-CB 3.36Å; L434-L437 PolarHBondContact O-N 3.11Å; L434-R448 HydrophobicContact CD2-CG 4.04Å; L434-F451 HydrophobicContact CD2-CB 4.14Å
435	S	88	Confident	86.2	Confident	92 Å²	92	83.2 Å²	83.2	64%	0.643	43%	0.427	S	S	*	.	H	α-helix	trans	-71.2	-23.2	177.7	69.8	0	0	0	0	113.9	Q431 K432 L437	Q431-S435 WeakPolarHBondContact O-CB 3.34Å; Q431-S435 PolarHBondContact O-N 3.43Å; Q431-S435 PolarHBondContact O-OG 3.29Å; K432-S435 WeakPolarHBondContact CA-OG 3.18Å; K432-S435 PolarHBondContact O-N 2.87Å; K432-S435 VanDerWaalsContact O-N 3.12Å; K432-S435 PolarHBondContact O-OG 3.32Å; S435-L437 VanDerWaalsContact C-N 3.27Å
436	E	90.3	Very high	87.3	Confident	131 Å²	131	79.3 Å²	79.3	61%	0.612	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.1	-6.7	175.8	-72.3	173.4	179.7	0	0	112.6	K432 L434	K432-E436 WeakPolarHBondContact CE-OE1 3.27Å; K432-E436 WeakPolarHBondContact O-CG 3.5Å; K432-E436 PolarHBondContact O-N 3.07Å; L434-E436 VanDerWaalsContact C-N 3.29Å; L434-E436 PolarHBondContact O-N 3.31Å
437	L	88.8	Confident	88.3	Confident	28 Å²	28	78.5 Å²	78.5	15%	0.147	39%	0.393	C	S	.	.	S	Bend	trans	-75	126.7	175.7	-68.4	177.4	0	0	0	110.9	L434 S435 E439 Y444 R447 R448 F451	L434-L437 HydrophobicContact CD2-CD1 4.07Å; L434-L437 WeakPolarHBondContact O-CB 3.36Å; L434-L437 PolarHBondContact O-N 3.11Å; S435-L437 VanDerWaalsContact C-N 3.27Å; L437-E439 PolarHBondContact O-N 2.98Å; L437-Y444 HydrophobicContact CB-CD2 4.12Å; L437-Y444 HydrophobicContact CB-CE2 3.92Å; L437-Y444 HydrophobicContact CD1-CE2 4.36Å; L437-R447 HydrophobicContact CD2-CB 3.64Å; L437-R448 HydrophobicContact CD1-CB 4.09Å; L437-R448 HydrophobicContact CD1-CG 4.47Å; L437-F451 HydrophobicContact CD1-CD2 4.22Å; L437-F451 HydrophobicContact CD2-CD2 4.46Å; L437-F451 HydrophobicContact CD2-CE2 4.02Å
438	D	90.7	Very high	89	Confident	94 Å²	94	79.8 Å²	79.8	50%	0.503	39%	0.391	S	S	.	.			trans	-72.9	114.7	169.3	-178.1	5.6	0	0	0	110	D440 D441 Y444	D438-D440 PolarHBondContact O-N 2.89Å; D438-D440 WeakPolarHBondContact OD1-CB 3.41Å; D438-D440 PolarHBondContact OD1-N 3.09Å; D438-D441 HydrophobicContact CB-CB 4.18Å; D438-D441 WeakPolarHBondContact O-CB 3.33Å; D438-D441 PolarHBondContact O-N 3.23Å; D438-D441 VanDerWaalsContact O-N 3.17Å; D438-Y444 VanDerWaalsContact O-CD2 3.3Å; D438-Y444 WeakPolarHBondContact O-CD2 3.29Å
439	E	88.3	Confident	89.6	Confident	150 Å²	150	74.8 Å²	74.8	70%	0.701	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67	-23.1	178.4	-65.8	-169.9	173.8	0	0	112.8	L437 D441 Y444	L437-E439 PolarHBondContact O-N 2.98Å; E439-D441 VanDerWaalsContact C-N 3.26Å; E439-Y444 HydrophobicContact CB-CE2 4.34Å; E439-Y444 HydrophobicContact CG-CD2 4.42Å; E439-Y444 HydrophobicContact CG-CE2 3.79Å
440	D	90.6	Very high	90	Very high	149 Å²	149	75.2 Å²	75.2	80%	0.797	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.8	-5.2	176.6	-68.1	-39.2	0	0	0	112.3	D438 L442	D438-D440 PolarHBondContact O-N 2.89Å; D438-D440 WeakPolarHBondContact OD1-CB 3.41Å; D438-D440 PolarHBondContact OD1-N 3.09Å; D440-L442 PolarHBondContact O-N 3.09Å
441	D	91.6	Very high	90.2	Very high	29 Å²	29	75.8 Å²	75.8	16%	0.155	36%	0.364	C	S	.	.			trans	-63.9	129.8	175.6	172.5	32.6	0	0	0	111.8	D438 E439 C443 Y444 R447	D438-D441 HydrophobicContact CB-CB 4.18Å; D438-D441 WeakPolarHBondContact O-CB 3.33Å; D438-D441 PolarHBondContact O-N 3.23Å; D438-D441 VanDerWaalsContact O-N 3.17Å; E439-D441 VanDerWaalsContact C-N 3.26Å; D441-C443 PolarHBondContact O-N 3.42Å; D441-C443 PolarHBondContact OD1-N 3.39Å; D441-C443 VanDerWaalsContact OD2-C 3.24Å; D441-C443 WeakPolarHBondContact OD2-CA 3.44Å; D441-C443 VanDerWaalsContact OD2-CB 3.31Å; D441-C443 WeakPolarHBondContact OD2-CB 3.49Å; D441-C443 PolarHBondContact OD2-N 2.89Å; D441-Y444 WeakPolarHBondContact O-CB 3.45Å; D441-Y444 PolarHBondContact O-N 3.08Å; D441-Y444 PolarHBondContact OD2-N 3.21Å; D441-R447 IonicContact OD1-CZ 2.77Å; D441-R447 IonicContact OD1-NH1 2.88Å; D441-R447 WeakPolarHBondContact OD2-CD 3.5Å; D441-R447 IonicContact OD2-CZ 2.72Å; D441-R447 IonicContact OD2-NE 3.09Å; D441-R447 PolarHBondContact OD2-NE 3.47Å; D441-R447 VanDerWaalsContact OD2-NE 3.16Å; D441-R447 IonicContact OD2-NH1 3.93Å; D441-R447 PolarHBondContact OD2-NH1 3.17Å; D441-R447 IonicContact OD2-NH2 3.44Å
442	L	89.7	Confident	90.5	Very high	102 Å²	102	70.1 Å²	70.1	53%	0.534	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.9	-26.7	174.4	-65	-179	0	0	0	113.2	D440 Q722 I725	D440-L442 PolarHBondContact O-N 3.09Å; L442-Q722 PolarHBondContact O-NE2 2.8Å; L442-I725 HydrophobicContact CD1-CG2 4.41Å
443	C	94.3	Very high	90.9	Very high	1 Å²	1	66.3 Å²	66.3	1%	0.007	33%	0.326	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.7	7.6	176.9	-82.8	0	0	0	0	115.3	D441 E445 F446 R447 C726	D441-C443 PolarHBondContact O-N 3.42Å; D441-C443 PolarHBondContact OD1-N 3.39Å; D441-C443 VanDerWaalsContact OD2-C 3.24Å; D441-C443 WeakPolarHBondContact OD2-CA 3.44Å; D441-C443 VanDerWaalsContact OD2-CB 3.31Å; D441-C443 WeakPolarHBondContact OD2-CB 3.49Å; D441-C443 PolarHBondContact OD2-N 2.89Å; C443-E445 VanDerWaalsContact C-N 3.28Å; C443-E445 PolarHBondContact O-N 2.78Å; C443-E445 VanDerWaalsContact O-N 3.12Å; C443-F446 WeakPolarHBondContact O-CB 3.25Å; C443-F446 PolarHBondContact O-N 3.39Å; C443-R447 HydrophobicContact CB-CG 4.33Å; C443-R447 PolarHBondContact O-N 2.76Å; C443-C726 WeakPolarHBondContact CA-SG 3.23Å; C443-C726 HydrophobicContact CB-CB 4.18Å; C443-C726 WeakPolarHBondContact CB-SG 3.41Å; C443-C726 WeakPolarHBondContact SG-CA 3.38Å; C443-C726 WeakPolarHBondContact SG-CB 2.97Å; C443-C726 PolarHBondContact SG-O 3.21Å; C443-C726 CovalentContact SG-SG 2.04Å; C443-C726 PolarHBondContact SG-SG 3.01Å
444	Y	93.5	Very high	91.4	Very high	46 Å²	46	62.6 Å²	62.6	18%	0.18	31%	0.309	C	S	.	.	H	α-helix	trans	-47.7	-48.3	-173.6	172.3	-102.5	0	0	0	113	L437 D438 E439 D441 F446 R447 R448	L437-Y444 HydrophobicContact CB-CD2 4.12Å; L437-Y444 HydrophobicContact CB-CE2 3.92Å; L437-Y444 HydrophobicContact CD1-CE2 4.36Å; D438-Y444 VanDerWaalsContact O-CD2 3.3Å; D438-Y444 WeakPolarHBondContact O-CD2 3.29Å; E439-Y444 HydrophobicContact CB-CE2 4.34Å; E439-Y444 HydrophobicContact CG-CD2 4.42Å; E439-Y444 HydrophobicContact CG-CE2 3.79Å; D441-Y444 WeakPolarHBondContact O-CB 3.45Å; D441-Y444 PolarHBondContact O-N 3.08Å; D441-Y444 PolarHBondContact OD2-N 3.21Å; Y444-F446 PolarHBondContact O-N 2.86Å; Y444-R447 PolarHBondContact O-N 2.82Å; Y444-R447 VanDerWaalsContact O-N 3.14Å; Y444-R448 WeakPolarHBondContact O-CB 3.42Å; Y444-R448 PolarHBondContact O-N 3.24Å
445	E	91.7	Very high	91.9	Very high	64 Å²	64	59.4 Å²	59.4	30%	0.299	29%	0.292	S	S	.	.	H	α-helix	trans	-61.3	-39.9	-179.2	-71.3	-65.6	146.2	0	0	112.9	C443 R448 E449 Q539 F540	C443-E445 VanDerWaalsContact C-N 3.28Å; C443-E445 PolarHBondContact O-N 2.78Å; C443-E445 VanDerWaalsContact O-N 3.12Å; E445-R448 IonicContact OE1-CZ 3.19Å; E445-R448 IonicContact OE1-NH1 2.59Å; E445-R448 PolarHBondContact OE1-NH1 3.41Å; E445-R448 IonicContact OE1-NH2 3.94Å; E445-R448 IonicContact OE2-CZ 2.59Å; E445-R448 VanDerWaalsContact OE2-CZ 3.3Å; E445-R448 IonicContact OE2-NH1 3.31Å; E445-R448 PolarHBondContact OE2-NH1 2.86Å; E445-R448 IonicContact OE2-NH2 3.66Å; E445-R448 PolarHBondContact OE2-NH2 2.86Å; E445-E449 WeakPolarHBondContact O-CB 3.18Å; E445-E449 WeakPolarHBondContact O-CG 3.35Å; E445-E449 PolarHBondContact O-N 3.46Å; E445-E449 VanDerWaalsContact O-N 3.16Å; E445-Q539 VanDerWaalsContact CD-NE2 3.33Å; E445-Q539 PolarHBondContact OE2-NE2 2.74Å; E445-F540 HydrophobicContact CB-CE2 4.05Å; E445-F540 HydrophobicContact CB-CZ 4.48Å
446	F	93.5	Very high	92.4	Very high	9 Å²	9	55.4 Å²	55.4	4%	0.039	26%	0.264	C	S	.	.	H	α-helix	trans	-68.1	-41.1	175.2	-80.7	-109.3	0	0	0	111.4	C443 Y444 E449 R450 F540 V675 Y723 C726 L730	C443-F446 WeakPolarHBondContact O-CB 3.25Å; C443-F446 PolarHBondContact O-N 3.39Å; Y444-F446 PolarHBondContact O-N 2.86Å; F446-E449 PolarHBondContact O-N 2.83Å; F446-R450 PolarHBondContact O-N 2.91Å; F446-F540 HydrophobicContact CD2-CE2 4.29Å; F446-F540 HydrophobicContact CD2-CZ 4.25Å; F446-F540 HydrophobicContact CE2-CE1 4.37Å; F446-F540 HydrophobicContact CE2-CE2 4.37Å; F446-F540 AromaticContact CE2-CZ 3.92Å; F446-F540 HydrophobicContact CE2-CZ 3.92Å; F446-F540 HydrophobicContact CZ-CZ 4.47Å; F446-V675 HydrophobicContact CB-CG2 4.49Å; F446-V675 HydrophobicContact CD1-CG2 3.48Å; F446-V675 VanDerWaalsContact CD1-CG2 3.48Å; F446-V675 HydrophobicContact CE1-CG2 3.88Å; F446-V675 HydrophobicContact CG-CG2 4.08Å; F446-Y723 HydrophobicContact CE1-CE1 4.47Å; F446-Y723 HydrophobicContact CE1-CE2 4.45Å; F446-Y723 HydrophobicContact CE2-CD2 4.02Å; F446-Y723 HydrophobicContact CE2-CE2 4.16Å; F446-Y723 HydrophobicContact CE2-CG 4.31Å; F446-Y723 HydrophobicContact CZ-CD1 4.06Å; F446-Y723 AromaticContact CZ-CD2 3.75Å; F446-Y723 HydrophobicContact CZ-CD2 3.75Å; F446-Y723 AromaticContact CZ-CE1 3.79Å; F446-Y723 HydrophobicContact CZ-CE1 3.79Å; F446-Y723 AromaticContact CZ-CE2 3.51Å; F446-Y723 HydrophobicContact CZ-CE2 3.51Å; F446-Y723 HydrophobicContact CZ-CG 4.02Å; F446-Y723 AromaticContact CZ-CZ 3.52Å; F446-C726 HydrophobicContact CD2-CB 4.43Å; F446-C726 HydrophobicContact CE2-CB 4.45Å; F446-L730 HydrophobicContact CB-CD1 3.87Å; F446-L730 HydrophobicContact CD1-CD1 3.58Å; F446-L730 HydrophobicContact CE1-CD1 4.34Å; F446-L730 HydrophobicContact CG-CD1 3.9Å
447	R	93.4	Very high	92.8	Very high	68 Å²	68	49.2 Å²	49.2	26%	0.257	24%	0.235	S	C	.	.	H	α-helix	trans	-67.7	-40.4	-179.1	-65.3	-173.7	178.1	160.8	-3.4	111.4	L437 D441 C443 Y444 E449 R450 F451 E733	L437-R447 HydrophobicContact CD2-CB 3.64Å; D441-R447 IonicContact OD1-CZ 2.77Å; D441-R447 IonicContact OD1-NH1 2.88Å; D441-R447 WeakPolarHBondContact OD2-CD 3.5Å; D441-R447 IonicContact OD2-CZ 2.72Å; D441-R447 IonicContact OD2-NE 3.09Å; D441-R447 PolarHBondContact OD2-NE 3.47Å; D441-R447 VanDerWaalsContact OD2-NE 3.16Å; D441-R447 IonicContact OD2-NH1 3.93Å; D441-R447 PolarHBondContact OD2-NH1 3.17Å; D441-R447 IonicContact OD2-NH2 3.44Å; C443-R447 HydrophobicContact CB-CG 4.33Å; C443-R447 PolarHBondContact O-N 2.76Å; Y444-R447 PolarHBondContact O-N 2.82Å; Y444-R447 VanDerWaalsContact O-N 3.14Å; R447-E449 PolarHBondContact O-N 2.83Å; R447-R450 WeakPolarHBondContact O-CB 3.29Å; R447-R450 PolarHBondContact O-N 3.46Å; R447-F451 WeakPolarHBondContact O-CD2 3.24Å; R447-E733 IonicContact CZ-OE1 3.79Å; R447-E733 IonicContact NH2-OE1 3.91Å; R447-E733 PolarHBondContact NH2-OE1 3.12Å
448	R	92.3	Very high	93.2	Very high	74 Å²	74	47.9 Å²	47.9	28%	0.279	23%	0.228	S	C	.	.	H	α-helix	trans	-61.5	-44.1	173.6	-165.6	-177.7	76.1	-136.5	-9.9	111.7	L434 L437 Y444 E445 R450 F451 T452	L434-R448 HydrophobicContact CD2-CG 4.04Å; L437-R448 HydrophobicContact CD1-CB 4.09Å; L437-R448 HydrophobicContact CD1-CG 4.47Å; Y444-R448 WeakPolarHBondContact O-CB 3.42Å; Y444-R448 PolarHBondContact O-N 3.24Å; E445-R448 IonicContact OE1-CZ 3.19Å; E445-R448 IonicContact OE1-NH1 2.59Å; E445-R448 PolarHBondContact OE1-NH1 3.41Å; E445-R448 IonicContact OE1-NH2 3.94Å; E445-R448 IonicContact OE2-CZ 2.59Å; E445-R448 VanDerWaalsContact OE2-CZ 3.3Å; E445-R448 IonicContact OE2-NH1 3.31Å; E445-R448 PolarHBondContact OE2-NH1 2.86Å; E445-R448 IonicContact OE2-NH2 3.66Å; E445-R448 PolarHBondContact OE2-NH2 2.86Å; R448-R450 PolarHBondContact O-N 2.99Å; R448-F451 PolarHBondContact O-N 2.53Å; R448-T452 PolarHBondContact O-N 3.21Å; R448-T452 PolarHBondContact O-OG1 3.38Å
449	E	92.1	Very high	93.6	Very high	7 Å²	7	44.3 Å²	44.3	3%	0.033	21%	0.208	C	C	.	.	H	α-helix	trans	-70	-32.3	-177.7	-67.7	-90.1	172.1	0	0	112.1	E445 F446 R447 F451 T452 G538 Q539 F540 V675	E445-E449 WeakPolarHBondContact O-CB 3.18Å; E445-E449 WeakPolarHBondContact O-CG 3.35Å; E445-E449 PolarHBondContact O-N 3.46Å; E445-E449 VanDerWaalsContact O-N 3.16Å; F446-E449 PolarHBondContact O-N 2.83Å; R447-E449 PolarHBondContact O-N 2.83Å; E449-F451 PolarHBondContact O-N 2.78Å; E449-T452 WeakPolarHBondContact O-CB 3.39Å; E449-T452 PolarHBondContact O-N 3.25Å; E449-T452 VanDerWaalsContact O-N 3.15Å; E449-G538 WeakPolarHBondContact OE1-CA 3.21Å; E449-Q539 PolarHBondContact OE1-N 3.44Å; E449-F540 HydrophobicContact CB-CD2 4.32Å; E449-F540 HydrophobicContact CG-CD2 3.81Å; E449-F540 HydrophobicContact CG-CE2 4.32Å; E449-V675 HydrophobicContact CB-CG1 4.38Å; E449-V675 HydrophobicContact CB-CG2 4.34Å
450	R	90.9	Very high	94	Very high	93 Å²	93	37.3 Å²	37.3	35%	0.351	18%	0.175	S	C	.	.	H	α-helix	trans	-54.4	-40.6	170.2	173.2	-173.2	173.6	173.4	0.1	112.2	F446 R447 R448 R672	F446-R450 PolarHBondContact O-N 2.91Å; R447-R450 WeakPolarHBondContact O-CB 3.29Å; R447-R450 PolarHBondContact O-N 3.46Å; R448-R450 PolarHBondContact O-N 2.99Å; R450-R672 HydrophobicContact CG-CB 4.45Å; R450-R672 PolarHBondContact O-NH2 2.88Å; R450-R672 VanDerWaalsContact O-NH2 3.09Å
451	F	90.1	Very high	94.3	Very high	40 Å²	40	31.3 Å²	31.3	18%	0.175	14%	0.143	C	C	.	.	H	α-helix	trans	-87	-7.6	-178.3	-63.5	-60.2	0	0	0	113.9	L430 Q433 L434 L437 R447 R448 E449 V453	L430-F451 HydrophobicContact CD1-CB 4Å; L430-F451 WeakPolarHBondContact CD1-O 3.37Å; Q433-F451 HydrophobicContact CB-CD1 4.29Å; Q433-F451 HydrophobicContact CB-CE1 4.29Å; Q433-F451 HydrophobicContact CB-CG 4.48Å; Q433-F451 HydrophobicContact CB-CZ 4.46Å; Q433-F451 HydrophobicContact CG-CE1 4.33Å; L434-F451 HydrophobicContact CD2-CB 4.14Å; L437-F451 HydrophobicContact CD1-CD2 4.22Å; L437-F451 HydrophobicContact CD2-CD2 4.46Å; L437-F451 HydrophobicContact CD2-CE2 4.02Å; R447-F451 WeakPolarHBondContact O-CD2 3.24Å; R448-F451 PolarHBondContact O-N 2.53Å; E449-F451 PolarHBondContact O-N 2.78Å; F451-V453 PolarHBondContact O-N 2.79Å
452	T	91.5	Very high	94.5	Very high	23 Å²	23	33.6 Å²	33.6	14%	0.141	15%	0.152	C	C	.	.			trans	-62	126.6	177.7	-61.2	0	0	0	0	110.3	R448 E449 E537 R672	R448-T452 PolarHBondContact O-N 3.21Å; R448-T452 PolarHBondContact O-OG1 3.38Å; E449-T452 WeakPolarHBondContact O-CB 3.39Å; E449-T452 PolarHBondContact O-N 3.25Å; E449-T452 VanDerWaalsContact O-N 3.15Å; T452-E537 HydrophobicContact CG2-CB 4.29Å; T452-E537 HydrophobicContact CG2-CG 3.91Å; T452-R672 PolarHBondContact O-NH2 3.27Å
453	V	93.4	Very high	94.9	Very high	42 Å²	42	29.8 Å²	29.8	26%	0.255	13%	0.131	S	C	.	.			trans	-95.7	102.5	177	179.4	0	0	0	0	107.8	M190 R413 L430 F451	M190-V453 HydrophobicContact CE-CB 3.53Å; M190-V453 HydrophobicContact CE-CG1 3.94Å; M190-V453 HydrophobicContact CE-CG2 4Å; M190-V453 HydrophobicContact CG-CG1 4.41Å; M190-V453 HydrophobicContact SD-CB 3.83Å; M190-V453 HydrophobicContact SD-CG1 3.77Å; M190-V453 HydrophobicContact SD-CG2 3.89Å; R413-V453 PolarHBondContact NH1-O 3.47Å; R413-V453 VanDerWaalsContact NH1-O 3.09Å; R413-V453 PolarHBondContact NH2-O 2.73Å; L430-V453 HydrophobicContact CD2-CG2 3.92Å; F451-V453 PolarHBondContact O-N 2.79Å
454	H	97	Very high	94.9	Very high	5 Å²	5	36.1 Å²	36.1	2%	0.023	16%	0.16	C	C	.	.			trans	-77.2	129.5	178.3	-67	-99.8	0	0	0	110.9	T188 T456 Y504 V534 Y535 E537 L545	T188-H454 WeakPolarHBondContact CB-O 3.32Å; H454-T456 PolarHBondContact O-N 3.4Å; H454-T456 PolarHBondContact O-OG1 3.39Å; H454-Y504 AromaticContact CE1-CE2 3.87Å; H454-Y504 AromaticContact ND1-CE2 3.79Å; H454-V534 HydrophobicContact CB-CG1 3.47Å; H454-V534 VanDerWaalsContact CB-CG1 3.47Å; H454-Y535 PolarHBondContact ND1-O 2.96Å; H454-Y535 VanDerWaalsContact ND1-O 3.08Å; H454-E537 PolarHBondContact CE1-O 3.09Å; H454-L545 HydrophobicContact CB-CD2 4.09Å; H454-L545 WeakPolarHBondContact CD2-CD2 3.46Å
455	R	97.6	Very high	94.9	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	16%	0.161	C	C	.	.			trans	-56.7	132.6	169.1	-174.3	173.4	63.1	110.2	4.6	108.8	L185 W189 D507 Y535	L185-R455 HydrophobicContact CD1-CG 3.64Å; W189-R455 HydrophobicContact CB-CG 4.04Å; W189-R455 HydrophobicContact CG-CG 4.1Å; R455-D507 IonicContact CZ-OD1 3.55Å; R455-D507 IonicContact CZ-OD2 3.16Å; R455-D507 IonicContact NH1-OD1 3.29Å; R455-D507 IonicContact NH2-OD1 3.59Å; R455-D507 PolarHBondContact NH2-OD1 3.34Å; R455-D507 IonicContact NH2-OD2 2.62Å; R455-D507 PolarHBondContact NH2-OD2 3.49Å; R455-Y535 HydrophobicContact CB-CD2 3.91Å; R455-Y535 HydrophobicContact CG-CD2 3.79Å; R455-Y535 HydrophobicContact CG-CE2 4.26Å; R455-Y535 VanDerWaalsContact CZ-CD2 3.41Å; R455-Y535 VanDerWaalsContact CZ-CE2 3.42Å; R455-Y535 VanDerWaalsContact NH2-CG 3.28Å; R455-Y535 VanDerWaalsContact O-CD2 3.27Å; R455-Y535 WeakPolarHBondContact O-CD2 3.45Å; R455-Y535 PolarHBondContact O-N 3.42Å
456	T	98.6	Very high	94.9	Very high	9 Å²	9	41.6 Å²	41.6	6%	0.055	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	126.9	-172.5	-61.1	0	0	0	0	110.7	T184 L185 T188 H454 L458 I533 V534 V549	T184-T456 HydrophobicContact CG2-CG2 4.34Å; L185-T456 VanDerWaalsContact CA-O 3.28Å; L185-T456 WeakPolarHBondContact CA-O 3.28Å; T188-T456 PolarHBondContact OG1-N 3.1Å; H454-T456 PolarHBondContact O-N 3.4Å; H454-T456 PolarHBondContact O-OG1 3.39Å; T456-L458 HydrophobicContact CG2-CD2 3.8Å; T456-L458 HydrophobicContact CG2-CG 4.47Å; T456-I533 CarbonylContact C-O 3.46Å; T456-I533 WeakPolarHBondContact CA-O 3.5Å; T456-V534 HydrophobicContact CG2-CG2 4.16Å; T456-V549 HydrophobicContact CG2-CG1 4.29Å
457	H	98.7	Very high	94.7	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	106.1	173.3	-170.3	116.5	0	0	0	109.5	S150 L185 F460 H532 I533 Y535	S150-H457 PolarHBondContact O-CE1 3.49Å; L185-H457 HydrophobicContact CD1-CB 4.26Å; H457-F460 AromaticContact CD2-CD2 3.6Å; H457-F460 AromaticContact CG-CD2 3.99Å; H457-F460 AromaticContact NE2-CD2 3.83Å; H457-H532 CarbonylContact O-C 3.53Å; H457-I533 HydrophobicContact CB-CB 4.34Å; H457-I533 PolarHBondContact N-O 2.9Å; H457-I533 PolarHBondContact O-N 3.44Å; H457-Y535 HydrophobicContact CB-CE2 3.93Å
458	L	98.6	Very high	94.4	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	20%	0.203	C	C	.	.	S	Bend	trans	-75.1	150.9	179.3	-55.7	176.4	0	0	0	111.3	Q180 I181 T184 T456 F460 H532 V549 H553	Q180-L458 HydrophobicContact CG-CD1 4.3Å; I181-L458 HydrophobicContact CG1-CB 4.36Å; I181-L458 WeakPolarHBondContact CG1-O 3.35Å; I181-L458 WeakPolarHBondContact CG2-O 3.5Å; T184-L458 HydrophobicContact CG2-CD1 3.82Å; T184-L458 HydrophobicContact CG2-CD2 4.37Å; T184-L458 HydrophobicContact CG2-CG 3.89Å; T184-L458 VanDerWaalsContact OG1-CD1 3.28Å; T184-L458 WeakPolarHBondContact OG1-CD1 3.06Å; T456-L458 HydrophobicContact CG2-CD2 3.8Å; T456-L458 HydrophobicContact CG2-CG 4.47Å; L458-F460 VanDerWaalsContact C-N 3.32Å; L458-F460 PolarHBondContact O-N 2.89Å; L458-H532 HydrophobicContact CD2-CB 4.21Å; L458-H532 WeakPolarHBondContact CD2-ND1 3.33Å; L458-V549 HydrophobicContact CD2-CG1 4.45Å; L458-H553 WeakPolarHBondContact CD1-NE2 3.3Å; L458-H553 VanDerWaalsContact CD2-CE1 3.42Å; L458-H553 WeakPolarHBondContact CD2-CE1 3.46Å
459	Y	98	Very high	94.2	Very high	20 Å²	20	44.1 Å²	44.1	8%	0.078	23%	0.233	C	C	.	.			trans	46.2	53.8	173	-50	-72.1	0	0	0	113.3	Y147 I181 L461 Y463 Y531 H532 H553	Y147-Y459 WeakPolarHBondContact CD1-O 3.14Å; Y147-Y459 VanDerWaalsContact CE1-CB 3.48Å; Y147-Y459 HydrophobicContact CE1-CG 4.08Å; I181-Y459 HydrophobicContact CG1-CD2 4.21Å; Y459-L461 CarbonylContact C-O 3.42Å; Y459-L461 PolarHBondContact O-N 3.21Å; Y459-L461 VanDerWaalsContact O-N 3.11Å; Y459-L461 VanDerWaalsContact O-O 3.12Å; Y459-Y463 AromaticContact CD1-CD1 3.75Å; Y459-Y463 HydrophobicContact CD1-CD1 3.75Å; Y459-Y463 AromaticContact CD1-CG 3.81Å; Y459-Y463 HydrophobicContact CD1-CG 3.81Å; Y459-Y463 AromaticContact CE1-CD1 3.42Å; Y459-Y463 HydrophobicContact CE1-CD1 3.42Å; Y459-Y463 VanDerWaalsContact CE1-CD1 3.42Å; Y459-Y463 AromaticContact CE1-CE1 3.87Å; Y459-Y463 HydrophobicContact CE1-CE1 3.87Å; Y459-Y463 AromaticContact CE1-CG 3.89Å; Y459-Y463 HydrophobicContact CE1-CG 3.89Å; Y459-Y531 CarbonylContact C-O 3.5Å; Y459-Y531 VanDerWaalsContact CA-O 3.25Å; Y459-Y531 WeakPolarHBondContact CA-O 3.38Å; Y459-Y531 PolarHBondContact N-O 3.47Å; Y459-Y531 VanDerWaalsContact N-O 3.08Å; Y459-H532 AromaticContact CD1-CE1 3.65Å; Y459-H532 AromaticContact CE1-CE1 3.46Å; Y459-H532 VanDerWaalsContact CE1-CE1 3.46Å; Y459-H532 WeakPolarHBondContact CE1-CE1 3.4Å; Y459-H532 AromaticContact CZ-CE1 3.78Å; Y459-H532 PolarHBondContact N-ND1 3.36Å; Y459-H553 PolarHBondContact OH-O 3.08Å
460	F	97.9	Very high	94.2	Very high	2 Å²	2	47.8 Å²	47.8	1%	0.009	25%	0.253	C	S	.	.	S	Bend	trans	-60.5	-23	-177.3	-170.4	-106.4	0	0	0	113.4	R151 H457 L458 A510 F513 L514 Y531 I533	R151-F460 HydrophobicContact CG-CD2 4.31Å; R151-F460 HydrophobicContact CG-CE2 3.77Å; R151-F460 HydrophobicContact CG-CZ 4.14Å; R151-F460 PolarHBondContact NH1-O 2.82Å; H457-F460 AromaticContact CD2-CD2 3.6Å; H457-F460 AromaticContact CG-CD2 3.99Å; H457-F460 AromaticContact NE2-CD2 3.83Å; L458-F460 VanDerWaalsContact C-N 3.32Å; L458-F460 PolarHBondContact O-N 2.89Å; F460-A510 HydrophobicContact CE1-CB 4.45Å; F460-A510 WeakPolarHBondContact CE1-O 3.27Å; F460-A510 HydrophobicContact CE2-CB 4.47Å; F460-A510 HydrophobicContact CZ-CB 3.97Å; F460-F513 AromaticContact CD1-CD1 3.96Å; F460-F513 HydrophobicContact CD1-CD1 3.96Å; F460-F513 HydrophobicContact CD1-CE1 4.02Å; F460-F513 HydrophobicContact CE1-CD1 4.15Å; F460-L514 HydrophobicContact CE1-CB 4.05Å; F460-Y531 PolarHBondContact N-O 2.96Å; F460-I533 HydrophobicContact CB-CD1 4.19Å; F460-I533 HydrophobicContact CB-CG1 3.7Å; F460-I533 HydrophobicContact CD1-CD1 4.21Å; F460-I533 HydrophobicContact CD1-CG1 4.01Å; F460-I533 HydrophobicContact CD2-CG1 3.71Å; F460-I533 HydrophobicContact CE2-CG1 4.29Å; F460-I533 HydrophobicContact CG-CD1 4.15Å; F460-I533 HydrophobicContact CG-CG1 3.54Å
461	L	96.6	Very high	94.3	Very high	24 Å²	24	47 Å²	47	13%	0.126	26%	0.261	C	S	.	.	S	Bend	trans	-119	163	167.8	-55.5	178.7	0	0	0	109.5	Y459 Y463 F513 L514 A517 Y531	Y459-L461 CarbonylContact C-O 3.42Å; Y459-L461 PolarHBondContact O-N 3.21Å; Y459-L461 VanDerWaalsContact O-N 3.11Å; Y459-L461 VanDerWaalsContact O-O 3.12Å; L461-Y463 PolarHBondContact O-N 3.03Å; L461-F513 HydrophobicContact CD1-CE1 4.02Å; L461-F513 HydrophobicContact CD1-CZ 3.88Å; L461-F513 HydrophobicContact CG-CE1 4.3Å; L461-L514 HydrophobicContact CD2-CD1 3.35Å; L461-A517 HydrophobicContact CD1-CB 3.57Å; L461-Y531 HydrophobicContact CB-CD2 3.79Å; L461-Y531 HydrophobicContact CB-CE2 4.26Å; L461-Y531 HydrophobicContact CD1-CD2 3.79Å; L461-Y531 HydrophobicContact CD1-CE2 3.81Å; L461-Y531 HydrophobicContact CD1-CG 4.24Å; L461-Y531 HydrophobicContact CG-CD2 4.08Å; L461-Y531 HydrophobicContact CG-CG 4.5Å
462	H	95.6	Very high	94.5	Very high	76 Å²	76	45.4 Å²	45.4	35%	0.352	26%	0.255	S	S	.	.			trans	-56.2	127.9	178.4	177.3	77.4	0	0	0	111.4	Y147 E464 H527	Y147-H462 HydrophobicContact CD2-CB 4.1Å; Y147-H462 AromaticContact CD2-ND1 3.36Å; Y147-H462 WeakPolarHBondContact CD2-ND1 3.38Å; Y147-H462 AromaticContact CE2-ND1 3.39Å; Y147-H462 WeakPolarHBondContact CE2-ND1 2.99Å; Y147-H462 HydrophobicContact CG-CB 4.5Å; H462-E464 IonicContact NE2-OE2 3.94Å; H462-H527 AromaticContact CD2-CG 3.65Å; H462-H527 AromaticContact CD2-ND1 3.56Å
463	Y	96.7	Very high	94.8	Very high	23 Å²	23	44.3 Å²	44.3	9%	0.09	25%	0.249	C	C	.	.			trans	-126	124.7	178.6	174.8	-107.9	0	0	0	109.7	Y147 Y459 L461 H527 V529 S555	Y147-Y463 PolarHBondContact OH-O 3.17Å; Y459-Y463 AromaticContact CD1-CD1 3.75Å; Y459-Y463 HydrophobicContact CD1-CD1 3.75Å; Y459-Y463 AromaticContact CD1-CG 3.81Å; Y459-Y463 HydrophobicContact CD1-CG 3.81Å; Y459-Y463 AromaticContact CE1-CD1 3.42Å; Y459-Y463 HydrophobicContact CE1-CD1 3.42Å; Y459-Y463 VanDerWaalsContact CE1-CD1 3.42Å; Y459-Y463 AromaticContact CE1-CE1 3.87Å; Y459-Y463 HydrophobicContact CE1-CE1 3.87Å; Y459-Y463 AromaticContact CE1-CG 3.89Å; Y459-Y463 HydrophobicContact CE1-CG 3.89Å; L461-Y463 PolarHBondContact O-N 3.03Å; Y463-H527 CarbonylContact C-O 3.6Å; Y463-H527 VanDerWaalsContact CA-O 3.32Å; Y463-H527 WeakPolarHBondContact CA-O 3.45Å; Y463-H527 WeakPolarHBondContact CD2-O 3.46Å; Y463-V529 VanDerWaalsContact CD2-C 3.43Å; Y463-S555 PolarHBondContact OH-OG 3.24Å
464	E	94.7	Very high	95	Very high	133 Å²	133	42.3 Å²	42.3	62%	0.621	24%	0.236	S	C	*	.			trans	-143.8	124.2	175.2	-173.6	172.9	-168.3	0	0	108.3	H462 H527	H462-E464 IonicContact NE2-OE2 3.94Å; E464-H527 HydrophobicContact CB-CB 4.32Å; E464-H527 PolarHBondContact N-O 2.83Å; E464-H527 CarbonylContact O-C 3.5Å; E464-H527 VanDerWaalsContact O-O 3.13Å
465	Y	95	Very high	95.1	Very high	49 Å²	49	42.1 Å²	42.1	19%	0.192	24%	0.235	C	C	.	.			trans	-150.9	124.2	177	-175.8	-103.2	0	0	0	110.1	D473 P498 N528 T556 Y573	Y465-D473 PolarHBondContact OH-OD1 3.33Å; Y465-D473 PolarHBondContact OH-OD2 2.89Å; Y465-P498 HydrophobicContact CD1-CB 4.15Å; Y465-P498 HydrophobicContact CD1-CG 4.26Å; Y465-P498 HydrophobicContact CD2-CB 3.98Å; Y465-P498 HydrophobicContact CD2-CG 4.39Å; Y465-P498 HydrophobicContact CE1-CB 4.15Å; Y465-P498 HydrophobicContact CE1-CG 3.76Å; Y465-P498 HydrophobicContact CE2-CB 3.96Å; Y465-P498 HydrophobicContact CE2-CG 3.88Å; Y465-P498 HydrophobicContact CG-CB 4.07Å; Y465-N528 HydrophobicContact CD2-CB 3.67Å; Y465-N528 HydrophobicContact CE2-CB 4.43Å; Y465-N528 HydrophobicContact CG-CB 4.45Å; Y465-T556 HydrophobicContact CD1-CG2 4.44Å; Y465-T556 HydrophobicContact CE1-CG2 3.79Å; Y465-Y573 PolarHBondContact OH-OH 3.38Å
466	E	91.1	Very high	95.1	Very high	176 Å²	176	42.4 Å²	42.4	82%	0.822	24%	0.237	S	C	*	.	P	Polyproline II helix	trans	-94.9	116	173.6	-171.1	173.2	-169.8	0	0	109
467	P	88.1	Confident	95.1	Very high	67 Å²	67	42.1 Å²	42.1	44%	0.435	24%	0.235	S	C	.	.	P	Polyproline II helix	trans	-61.2	142.1	178.3	-23.7	34.5	0	0	0	112.6
468	A	87.2	Confident	95.1	Very high	26 Å²	26	42.3 Å²	42.3	22%	0.215	24%	0.237	C	C	.	.	P	Polyproline II helix	trans	-60.7	137.2	175.6	0	0	0	0	0	111.3	D470 S471 D473	A468-D470 WeakPolarHBondContact CB-OD1 3.34Å; A468-D470 PolarHBondContact O-N 2.93Å; A468-D470 VanDerWaalsContact O-N 3.11Å; A468-S471 PolarHBondContact O-N 3.08Å; A468-D473 WeakPolarHBondContact CB-OD1 3.42Å; A468-D473 VanDerWaalsContact CB-OD2 3.28Å; A468-D473 WeakPolarHBondContact CB-OD2 3.32Å; A468-D473 PolarHBondContact N-OD2 2.68Å
469	A	89.5	Confident	95.1	Very high	111 Å²	111	43 Å²	43	92%	0.917	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.6	-25.3	-178.6	0	0	0	0	0	113.7	S471	A469-S471 VanDerWaalsContact C-N 3.28Å; A469-S471 PolarHBondContact O-N 3.48Å
470	D	91.5	Very high	95.1	Very high	84 Å²	84	42.2 Å²	42.2	45%	0.449	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.8	-4.3	178	64.7	13.4	0	0	0	113.8	A468 T472 R577	A468-D470 WeakPolarHBondContact CB-OD1 3.34Å; A468-D470 PolarHBondContact O-N 2.93Å; A468-D470 VanDerWaalsContact O-N 3.11Å; D470-T472 HydrophobicContact CB-CG2 3.99Å; D470-T472 VanDerWaalsContact CG-CG2 3.47Å; D470-T472 PolarHBondContact O-N 2.95Å; D470-T472 WeakPolarHBondContact OD1-CB 3.13Å; D470-T472 WeakPolarHBondContact OD1-CG2 3.34Å; D470-T472 PolarHBondContact OD1-N 3.35Å; D470-T472 PolarHBondContact OD1-OG1 3.27Å; D470-T472 PolarHBondContact OD2-OG1 2.92Å; D470-T472 VanDerWaalsContact OD2-OG1 3.08Å; D470-R577 IonicContact OD1-NH2 2.61Å; D470-R577 PolarHBondContact OD1-NH2 3.03Å; D470-R577 IonicContact OD2-CZ 3.3Å; D470-R577 IonicContact OD2-NH2 3.28Å; D470-R577 PolarHBondContact OD2-NH2 2.94Å
471	S	92.2	Very high	95	Very high	76 Å²	76	43.1 Å²	43.1	53%	0.531	24%	0.243	S	C	.	.	S	Bend	trans	54.3	33.7	-177	-58.6	0	0	0	0	113.7	A468 A469 P557 Y558	A468-S471 PolarHBondContact O-N 3.08Å; A469-S471 VanDerWaalsContact C-N 3.28Å; A469-S471 PolarHBondContact O-N 3.48Å; S471-P557 WeakPolarHBondContact O-CG 3.39Å; S471-Y558 WeakPolarHBondContact O-CE2 3.47Å
472	T	95.5	Very high	95	Very high	7 Å²	7	43.9 Å²	43.9	4%	0.043	25%	0.247	C	C	.	.			trans	-99.2	-2.7	179.8	63.3	0	0	0	0	113.8	D470 R577 I581	D470-T472 HydrophobicContact CB-CG2 3.99Å; D470-T472 VanDerWaalsContact CG-CG2 3.47Å; D470-T472 PolarHBondContact O-N 2.95Å; D470-T472 WeakPolarHBondContact OD1-CB 3.13Å; D470-T472 WeakPolarHBondContact OD1-CG2 3.34Å; D470-T472 PolarHBondContact OD1-N 3.35Å; D470-T472 PolarHBondContact OD1-OG1 3.27Å; D470-T472 PolarHBondContact OD2-OG1 2.92Å; D470-T472 VanDerWaalsContact OD2-OG1 3.08Å; T472-R577 PolarHBondContact OG1-NE 2.91Å; T472-R577 PolarHBondContact OG1-NH2 2.86Å; T472-I581 HydrophobicContact CG2-CD1 3.52Å; T472-I581 HydrophobicContact CG2-CG1 3.52Å
473	D	96.6	Very high	94.9	Very high	1 Å²	1	44.2 Å²	44.2	1%	0.005	25%	0.251	C	S	.	.			trans	-62.7	142.8	-171.3	-78.2	-26.8	0	0	0	114.2	Y465 A468 T556 Y558 Y573 R577	Y465-D473 PolarHBondContact OH-OD1 3.33Å; Y465-D473 PolarHBondContact OH-OD2 2.89Å; A468-D473 WeakPolarHBondContact CB-OD1 3.42Å; A468-D473 VanDerWaalsContact CB-OD2 3.28Å; A468-D473 WeakPolarHBondContact CB-OD2 3.32Å; A468-D473 PolarHBondContact N-OD2 2.68Å; D473-T556 HydrophobicContact CB-CG2 3.48Å; D473-T556 VanDerWaalsContact CB-CG2 3.48Å; D473-T556 WeakPolarHBondContact O-CB 3.43Å; D473-Y558 PolarHBondContact O-N 3.5Å; D473-Y573 PolarHBondContact OD1-OH 2.98Å; D473-R577 IonicContact OD1-NE 3.73Å
474	V	97.9	Very high	94.8	Very high	0 Å²	0	44 Å²	44	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	122.1	176.8	-173	0	0	0	0	108.7	W495 Y558 F560 L576 V580 V662	V474-W495 HydrophobicContact CB-CZ2 4.49Å; V474-W495 HydrophobicContact CG1-CH2 4.23Å; V474-W495 HydrophobicContact CG1-CZ2 4.37Å; V474-W495 WeakPolarHBondContact O-CZ2 3.19Å; V474-Y558 WeakPolarHBondContact CA-O 3.13Å; V474-F560 HydrophobicContact CG1-CB 3.84Å; V474-L576 HydrophobicContact CG1-CD1 4.41Å; V474-L576 HydrophobicContact CG2-CB 4.07Å; V474-V580 HydrophobicContact CG2-CG2 4.14Å; V474-V662 HydrophobicContact CG1-CG1 3.83Å; V474-V662 HydrophobicContact CG2-CG1 4.3Å
475	T	98.5	Very high	94.8	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	129.2	170.5	-65.8	0	0	0	0	110.1	V477 P498 I554 T556 Y558 M559 F560	T475-V477 HydrophobicContact CG2-CG2 4.19Å; T475-V477 PolarHBondContact O-N 3.06Å; T475-P498 WeakPolarHBondContact CA-O 3.3Å; T475-P498 HydrophobicContact CG2-CB 4.49Å; T475-P498 WeakPolarHBondContact OG1-CG 3.04Å; T475-I554 HydrophobicContact CG2-CB 4.21Å; T475-I554 HydrophobicContact CG2-CG2 3.69Å; T475-T556 VanDerWaalsContact CB-OG1 3.31Å; T475-T556 WeakPolarHBondContact CB-OG1 3.01Å; T475-T556 PolarHBondContact N-OG1 3.32Å; T475-T556 VanDerWaalsContact OG1-CG2 3.25Å; T475-T556 WeakPolarHBondContact OG1-CG2 3.49Å; T475-T556 PolarHBondContact OG1-OG1 3.32Å; T475-Y558 PolarHBondContact N-O 3.07Å; T475-M559 CarbonylContact O-C 3.55Å; T475-M559 VanDerWaalsContact O-CA 3.25Å; T475-M559 WeakPolarHBondContact O-CA 3.35Å; T475-F560 PolarHBondContact O-N 3.26Å
476	L	98.7	Very high	94.7	Very high	7 Å²	7	41.2 Å²	41.2	4%	0.037	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72	123.1	167.4	174.7	67.2	0	0	0	109.1	I491 W495 P498 I499 S500 F560	L476-I491 HydrophobicContact CD2-CG2 3.46Å; L476-I491 VanDerWaalsContact CD2-CG2 3.46Å; L476-W495 HydrophobicContact CB-CD2 4.01Å; L476-W495 HydrophobicContact CB-CG 4.25Å; L476-W495 HydrophobicContact CB-CZ2 3.89Å; L476-W495 HydrophobicContact CD2-CB 4.34Å; L476-W495 HydrophobicContact CD2-CD2 4.31Å; L476-W495 HydrophobicContact CD2-CG 4.05Å; L476-P498 PolarHBondContact N-O 3.05Å; L476-I499 HydrophobicContact CB-CG1 4.29Å; L476-I499 HydrophobicContact CB-CG2 4.3Å; L476-I499 HydrophobicContact CD2-CD1 4.41Å; L476-I499 HydrophobicContact CD2-CG1 4.41Å; L476-I499 HydrophobicContact CD2-CG2 4.27Å; L476-I499 HydrophobicContact CG-CG2 4.34Å; L476-I499 CarbonylContact O-C 3.47Å; L476-I499 VanDerWaalsContact O-CA 3.32Å; L476-I499 WeakPolarHBondContact O-CA 3.37Å; L476-S500 PolarHBondContact O-N 3.17Å; L476-F560 HydrophobicContact CD1-CB 4.45Å; L476-F560 HydrophobicContact CD1-CD1 3.53Å; L476-F560 HydrophobicContact CD1-CE1 4.05Å; L476-F560 HydrophobicContact CD1-CG 4.19Å
477	V	98.8	Very high	94.9	Very high	3 Å²	3	33.7 Å²	33.7	2%	0.018	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	120.7	-178.5	177.4	0	0	0	0	108.7	T475 A550 M551 I554 M559 F560 L561 S562	T475-V477 HydrophobicContact CG2-CG2 4.19Å; T475-V477 PolarHBondContact O-N 3.06Å; V477-A550 HydrophobicContact CG1-CB 3.64Å; V477-M551 HydrophobicContact CG1-CG 3.88Å; V477-I554 HydrophobicContact CG2-CG2 3.64Å; V477-M559 HydrophobicContact CG2-CB 3.77Å; V477-M559 HydrophobicContact CG2-SD 4.37Å; V477-F560 PolarHBondContact N-O 2.83Å; V477-L561 HydrophobicContact CB-CD2 4.09Å; V477-L561 HydrophobicContact CG1-CD2 4.14Å; V477-S562 PolarHBondContact O-N 2.84Å
478	A	98.6	Very high	95.3	Very high	3 Å²	3	30.7 Å²	30.7	3%	0.025	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	170.9	177.8	0	0	0	0	0	111.5	S500 L501 A502 I564	A478-S500 PolarHBondContact N-O 3.03Å; A478-S500 VanDerWaalsContact N-O 3.1Å; A478-L501 HydrophobicContact CB-CD2 3.87Å; A478-L501 WeakPolarHBondContact O-CA 3.46Å; A478-A502 PolarHBondContact O-N 3.39Å; A478-A502 VanDerWaalsContact O-N 3.16Å; A478-I564 HydrophobicContact CB-CD1 4Å
479	Q	98.4	Very high	95.7	Very high	16 Å²	16	32.1 Å²	32.1	8%	0.075	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	151.9	175.8	56.7	69.8	29.5	0	0	109.7	A502 Y541 V543 L546 R547 I564	Q479-A502 CarbonylContact C-O 3.5Å; Q479-A502 WeakPolarHBondContact CA-O 3.17Å; Q479-A502 HydrophobicContact CB-CB 4.2Å; Q479-A502 WeakPolarHBondContact CB-O 3.48Å; Q479-Y541 PolarHBondContact OE1-OH 2.96Å; Q479-V543 HydrophobicContact CG-CG2 4.34Å; Q479-L546 HydrophobicContact CB-CB 3.64Å; Q479-L546 HydrophobicContact CB-CD1 4.45Å; Q479-L546 HydrophobicContact CG-CB 4.01Å; Q479-R547 HydrophobicContact CG-CG 4Å; Q479-I564 WeakPolarHBondContact O-CB 3Å
480	L	98	Very high	96	Very high	2 Å²	2	28.1 Å²	28.1	1%	0.01	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.8	158.2	-178.3	71.4	163.5	0	0	0	114.5	R484 L485 L488 L501 A502 L503 Y504 Y541 I564	L480-R484 HydrophobicContact CB-CB 4.13Å; L480-L485 HydrophobicContact CD1-CD1 4.47Å; L480-L488 HydrophobicContact CD1-CD1 4.24Å; L480-L488 HydrophobicContact CD1-CD2 3.67Å; L480-L488 HydrophobicContact CD1-CG 3.91Å; L480-L488 HydrophobicContact CD2-CD2 4.39Å; L480-L501 HydrophobicContact CD2-CB 4.21Å; L480-L501 HydrophobicContact CD2-CD2 4.32Å; L480-A502 PolarHBondContact N-O 3.37Å; L480-L503 HydrophobicContact CD2-CD2 4.11Å; L480-L503 HydrophobicContact CD2-CG 3.69Å; L480-L503 HydrophobicContact CG-CD2 4.34Å; L480-L503 HydrophobicContact CG-CG 4.26Å; L480-L503 CarbonylContact O-C 3.53Å; L480-L503 VanDerWaalsContact O-CA 3.29Å; L480-L503 WeakPolarHBondContact O-CA 3.39Å; L480-Y504 PolarHBondContact O-N 3.4Å; L480-Y541 WeakPolarHBondContact CA-OH 3.2Å; L480-Y541 PolarHBondContact O-OH 2.62Å; L480-I564 HydrophobicContact CB-CB 4.06Å; L480-I564 HydrophobicContact CB-CD1 4.39Å; L480-I564 HydrophobicContact CB-CG1 3.87Å; L480-I564 HydrophobicContact CB-CG2 3.89Å; L480-I564 HydrophobicContact CD1-CD1 4.35Å; L480-I564 HydrophobicContact CD1-CG1 4.1Å; L480-I564 HydrophobicContact CD2-CD1 4.26Å; L480-I564 HydrophobicContact CG-CG1 4.43Å
481	S	96.7	Very high	96.3	Very high	21 Å²	21	24.4 Å²	24.4	15%	0.147	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	173.3	166.8	48.1	0	0	0	0	111.5	D483 R484 Y541	S481-D483 VanDerWaalsContact C-N 3.25Å; S481-D483 VanDerWaalsContact CB-OD1 3.29Å; S481-D483 WeakPolarHBondContact CB-OD1 3.31Å; S481-D483 PolarHBondContact O-N 2.95Å; S481-D483 PolarHBondContact OG-OD1 3.16Å; S481-R484 PolarHBondContact O-N 3.2Å; S481-R484 VanDerWaalsContact O-N 3.08Å; S481-Y541 PolarHBondContact N-OH 3.16Å
482	M	95.3	Very high	96.5	Very high	41 Å²	41	21.3 Å²	21.3	20%	0.202	11%	0.112	C	C	.	.	G	3₁₀ helix	trans	-55.3	-35.2	-178.8	-166.6	65.4	-171.9	0	0	113.8	R484 L485 L505 E509 Q512	M482-R484 PolarHBondContact O-N 3.15Å; M482-L485 HydrophobicContact CE-CD2 3.87Å; M482-L485 VanDerWaalsContact O-CB 3.29Å; M482-L485 WeakPolarHBondContact O-CB 3.14Å; M482-L485 PolarHBondContact O-N 3.38Å; M482-L485 HydrophobicContact SD-CD2 4.07Å; M482-L505 HydrophobicContact CB-CD2 3.9Å; M482-L505 HydrophobicContact SD-CD2 4.18Å; M482-E509 HydrophobicContact CB-CG 4.47Å; M482-E509 HydrophobicContact CG-CG 4.27Å; M482-E509 HydrophobicContact SD-CB 4.33Å; M482-Q512 HydrophobicContact CE-CB 3.51Å
483	D	94	Very high	96.5	Very high	83 Å²	83	26.4 Å²	26.4	44%	0.444	13%	0.134	S	C	.	.	G	3₁₀ helix	trans	-75.4	-0.7	-179.1	65.6	-66	0	0	0	114.6	S481 Q486	S481-D483 VanDerWaalsContact C-N 3.25Å; S481-D483 VanDerWaalsContact CB-OD1 3.29Å; S481-D483 WeakPolarHBondContact CB-OD1 3.31Å; S481-D483 PolarHBondContact O-N 2.95Å; S481-D483 PolarHBondContact OG-OD1 3.16Å; D483-Q486 PolarHBondContact O-NE2 3.24Å; D483-Q486 PolarHBondContact O-OE1 3.19Å
484	R	95.3	Very high	96.5	Very high	18 Å²	18	26.9 Å²	26.9	7%	0.068	14%	0.136	C	C	.	.	G	3₁₀ helix	trans	-112.3	3.4	175.7	-66.6	-60	-171.9	-89.5	-15.6	113.7	L480 S481 M482 Q486 M487 I564 D565 H708 A709	L480-R484 HydrophobicContact CB-CB 4.13Å; S481-R484 PolarHBondContact O-N 3.2Å; S481-R484 VanDerWaalsContact O-N 3.08Å; M482-R484 PolarHBondContact O-N 3.15Å; R484-Q486 PolarHBondContact O-N 3.5Å; R484-Q486 VanDerWaalsContact O-N 3.1Å; R484-M487 WeakPolarHBondContact O-CB 3.48Å; R484-M487 PolarHBondContact O-N 2.81Å; R484-I564 HydrophobicContact CB-CG2 3.83Å; R484-I564 HydrophobicContact CG-CG2 4.02Å; R484-D565 WeakPolarHBondContact CD-OD1 3.4Å; R484-D565 IonicContact CZ-OD1 3.62Å; R484-D565 IonicContact NE-OD1 3.86Å; R484-D565 PolarHBondContact NE-OD1 3.28Å; R484-D565 IonicContact NE-OD2 3.66Å; R484-H708 VanDerWaalsContact CZ-CB 3.5Å; R484-H708 VanDerWaalsContact NH2-CG 3.34Å; R484-H708 PolarHBondContact NH2-ND1 2.92Å; R484-A709 PolarHBondContact NH2-O 3.04Å
485	L	94.5	Very high	96.5	Very high	11 Å²	11	26.9 Å²	26.9	6%	0.058	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-29.7	-172	-169.2	64.5	0	0	0	113.7	L480 M482 M487 L488 F513 Y516	L480-L485 HydrophobicContact CD1-CD1 4.47Å; M482-L485 HydrophobicContact CE-CD2 3.87Å; M482-L485 VanDerWaalsContact O-CB 3.29Å; M482-L485 WeakPolarHBondContact O-CB 3.14Å; M482-L485 PolarHBondContact O-N 3.38Å; M482-L485 HydrophobicContact SD-CD2 4.07Å; L485-M487 PolarHBondContact O-N 2.96Å; L485-M487 VanDerWaalsContact O-N 3.13Å; L485-L488 HydrophobicContact CD1-CD1 3.4Å; L485-L488 VanDerWaalsContact CD1-CD1 3.4Å; L485-L488 HydrophobicContact CD1-CG 4.13Å; L485-L488 WeakPolarHBondContact O-CB 3.08Å; L485-L488 PolarHBondContact O-N 3.08Å; L485-L488 VanDerWaalsContact O-N 3.16Å; L485-F513 HydrophobicContact CD1-CD2 3.48Å; L485-F513 VanDerWaalsContact CD1-CD2 3.48Å; L485-F513 HydrophobicContact CD1-CE2 3.86Å; L485-F513 HydrophobicContact CD2-CD2 4.37Å; L485-Y516 HydrophobicContact CD1-CD1 3.86Å; L485-Y516 HydrophobicContact CD1-CE1 3.92Å; L485-Y516 HydrophobicContact CD2-CD1 3.45Å; L485-Y516 VanDerWaalsContact CD2-CD1 3.45Å; L485-Y516 HydrophobicContact CD2-CD2 3.87Å; L485-Y516 HydrophobicContact CD2-CE1 3.95Å; L485-Y516 HydrophobicContact CD2-CE2 4.33Å; L485-Y516 HydrophobicContact CD2-CG 3.39Å; L485-Y516 HydrophobicContact CG-CD1 3.52Å; L485-Y516 HydrophobicContact CG-CD2 4.34Å; L485-Y516 HydrophobicContact CG-CE1 3.5Å; L485-Y516 VanDerWaalsContact CG-CE1 3.5Å; L485-Y516 HydrophobicContact CG-CE2 4.32Å; L485-Y516 HydrophobicContact CG-CG 3.94Å; L485-Y516 PolarHBondContact O-OH 3.33Å; L485-Y516 VanDerWaalsContact O-OH 3.09Å
486	Q	92.1	Very high	96.4	Very high	113 Å²	113	31.3 Å²	31.3	53%	0.528	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-22.2	176	64.9	-84.5	-1	0	0	114.3	D483 R484 L488	D483-Q486 PolarHBondContact O-NE2 3.24Å; D483-Q486 PolarHBondContact O-OE1 3.19Å; R484-Q486 PolarHBondContact O-N 3.5Å; R484-Q486 VanDerWaalsContact O-N 3.1Å; Q486-L488 VanDerWaalsContact C-N 3.31Å; Q486-L488 PolarHBondContact O-N 3.48Å
487	M	95.4	Very high	96.3	Very high	18 Å²	18	31.1 Å²	31.1	9%	0.089	16%	0.156	C	C	.	.	H	α-helix	trans	-72.2	-25.1	179.7	-69	-57.7	-63.2	0	0	112.7	R484 L485 E489 A490 I491 I564 L567 M706	R484-M487 WeakPolarHBondContact O-CB 3.48Å; R484-M487 PolarHBondContact O-N 2.81Å; L485-M487 PolarHBondContact O-N 2.96Å; L485-M487 VanDerWaalsContact O-N 3.13Å; M487-E489 PolarHBondContact O-N 3.13Å; M487-A490 PolarHBondContact O-N 2.96Å; M487-A490 VanDerWaalsContact O-N 3.16Å; M487-I491 HydrophobicContact CB-CD1 4.18Å; M487-I491 WeakPolarHBondContact O-CG1 3.31Å; M487-I491 PolarHBondContact O-N 3.19Å; M487-I564 HydrophobicContact CB-CG1 4.11Å; M487-I564 WeakPolarHBondContact CB-O 3.45Å; M487-I564 WeakPolarHBondContact CE-O 3.2Å; M487-L567 HydrophobicContact CE-CD2 3.72Å; M487-L567 HydrophobicContact CE-CG 3.93Å; M487-M706 HydrophobicContact CE-CB 4.12Å; M487-M706 HydrophobicContact CE-CG 3.86Å; M487-M706 HydrophobicContact SD-CB 4.23Å; M487-M706 HydrophobicContact SD-CG 4.43Å
488	L	96.4	Very high	96.2	Very high	3 Å²	3	31 Å²	31	2%	0.016	16%	0.155	C	C	.	.	H	α-helix	trans	-58.8	-49	-171.8	-68.2	-170.5	0	0	0	113.1	L480 L485 Q486 A490 I491 C492 L501 F513 L523 Y531 I564	L480-L488 HydrophobicContact CD1-CD1 4.24Å; L480-L488 HydrophobicContact CD1-CD2 3.67Å; L480-L488 HydrophobicContact CD1-CG 3.91Å; L480-L488 HydrophobicContact CD2-CD2 4.39Å; L485-L488 HydrophobicContact CD1-CD1 3.4Å; L485-L488 VanDerWaalsContact CD1-CD1 3.4Å; L485-L488 HydrophobicContact CD1-CG 4.13Å; L485-L488 WeakPolarHBondContact O-CB 3.08Å; L485-L488 PolarHBondContact O-N 3.08Å; L485-L488 VanDerWaalsContact O-N 3.16Å; Q486-L488 VanDerWaalsContact C-N 3.31Å; Q486-L488 PolarHBondContact O-N 3.48Å; L488-A490 VanDerWaalsContact C-N 3.28Å; L488-A490 PolarHBondContact O-N 3.12Å; L488-I491 PolarHBondContact O-N 2.92Å; L488-C492 WeakPolarHBondContact O-CB 3.32Å; L488-C492 PolarHBondContact O-N 3.02Å; L488-C492 PolarHBondContact O-SG 2.97Å; L488-C492 VanDerWaalsContact O-SG 3.4Å; L488-L501 HydrophobicContact CD2-CD1 3.5Å; L488-F513 HydrophobicContact CD1-CE2 3.91Å; L488-L523 HydrophobicContact CB-CD1 4.31Å; L488-L523 HydrophobicContact CB-CD2 4.23Å; L488-Y531 HydrophobicContact CD1-CE1 4.27Å; L488-I564 HydrophobicContact CD2-CD1 4.01Å
489	E	95.5	Very high	96.2	Very high	56 Å²	56	30.9 Å²	30.9	26%	0.262	15%	0.154	S	C	.	.	H	α-helix	trans	-62.3	-39.3	179.7	-74	-163.2	-178.3	0	0	112.2	M487 C492 K493 S520 L523	M487-E489 PolarHBondContact O-N 3.13Å; E489-C492 PolarHBondContact O-N 3.32Å; E489-K493 VanDerWaalsContact O-CG 3.28Å; E489-K493 WeakPolarHBondContact O-CG 3.36Å; E489-K493 PolarHBondContact O-N 2.94Å; E489-K493 IonicContact OE2-NZ 2.8Å; E489-K493 PolarHBondContact OE2-NZ 3.43Å; E489-S520 VanDerWaalsContact CD-OG 3.23Å; E489-S520 WeakPolarHBondContact CG-OG 3.1Å; E489-S520 WeakPolarHBondContact OE1-CB 3.5Å; E489-S520 PolarHBondContact OE1-OG 2.9Å; E489-L523 HydrophobicContact CG-CD1 4.39Å; E489-L523 HydrophobicContact CG-CG 4.27Å
490	A	95.3	Very high	96.2	Very high	27 Å²	27	30.3 Å²	30.3	22%	0.223	15%	0.152	C	C	.	.	H	α-helix	trans	-68.1	-44.7	-179.5	0	0	0	0	0	110.6	M487 L488 C492 K493 H494 L567	M487-A490 PolarHBondContact O-N 2.96Å; M487-A490 VanDerWaalsContact O-N 3.16Å; L488-A490 VanDerWaalsContact C-N 3.28Å; L488-A490 PolarHBondContact O-N 3.12Å; A490-C492 VanDerWaalsContact C-N 3.34Å; A490-C492 PolarHBondContact O-N 2.9Å; A490-K493 PolarHBondContact O-N 3.42Å; A490-H494 PolarHBondContact O-CD2 2.82Å; A490-H494 PolarHBondContact O-N 3.14Å; A490-H494 VanDerWaalsContact O-N 3.1Å; A490-L567 HydrophobicContact CB-CD1 4.28Å; A490-L567 HydrophobicContact CB-CD2 3.56Å
491	I	97.6	Very high	96.3	Very high	6 Å²	6	30.3 Å²	30.3	3%	0.031	15%	0.152	C	C	.	.	H	α-helix	trans	-59.1	-46.7	173.8	-68.3	168.8	0	0	0	110.5	L476 M487 L488 K493 H494 W495 I499 I564 L567	L476-I491 HydrophobicContact CD2-CG2 3.46Å; L476-I491 VanDerWaalsContact CD2-CG2 3.46Å; M487-I491 HydrophobicContact CB-CD1 4.18Å; M487-I491 WeakPolarHBondContact O-CG1 3.31Å; M487-I491 PolarHBondContact O-N 3.19Å; L488-I491 PolarHBondContact O-N 2.92Å; I491-K493 PolarHBondContact O-N 3.45Å; I491-K493 VanDerWaalsContact O-N 3.15Å; I491-H494 PolarHBondContact O-N 2.88Å; I491-W495 HydrophobicContact CG2-CB 4.49Å; I491-W495 WeakPolarHBondContact O-CB 3.48Å; I491-W495 PolarHBondContact O-N 3.43Å; I491-I499 HydrophobicContact CG2-CD1 4.01Å; I491-I564 HydrophobicContact CD1-CD1 3.45Å; I491-I564 VanDerWaalsContact CD1-CD1 3.45Å; I491-I564 HydrophobicContact CD1-CG1 3.9Å; I491-I564 WeakPolarHBondContact CD1-O 3.27Å; I491-L567 HydrophobicContact CG1-CD2 3.96Å
492	C	97.1	Very high	96.4	Very high	11 Å²	11	29.3 Å²	29.3	7%	0.074	15%	0.145	C	C	.	.	H	α-helix	trans	-64.1	-15.7	176.7	-75.1	0	0	0	0	114.1	L488 E489 A490 V522 L523 R526	L488-C492 WeakPolarHBondContact O-CB 3.32Å; L488-C492 PolarHBondContact O-N 3.02Å; L488-C492 PolarHBondContact O-SG 2.97Å; L488-C492 VanDerWaalsContact O-SG 3.4Å; E489-C492 PolarHBondContact O-N 3.32Å; A490-C492 VanDerWaalsContact C-N 3.34Å; A490-C492 PolarHBondContact O-N 2.9Å; C492-V522 HydrophobicContact CB-CG1 3.88Å; C492-L523 HydrophobicContact CB-CD2 4.24Å; C492-R526 VanDerWaalsContact C-NH1 3.34Å; C492-R526 VanDerWaalsContact CA-NH1 3.34Å; C492-R526 PolarHBondContact O-NH1 3.26Å
493	K	95.6	Very high	96.5	Very high	115 Å²	115	27.4 Å²	27.4	50%	0.5	14%	0.136	S	C	.	.	H	α-helix	trans	-88.9	-25.6	171	-72.2	166.4	-170.1	167.4	0	112.4	E489 A490 I491 V522	E489-K493 VanDerWaalsContact O-CG 3.28Å; E489-K493 WeakPolarHBondContact O-CG 3.36Å; E489-K493 PolarHBondContact O-N 2.94Å; E489-K493 IonicContact OE2-NZ 2.8Å; E489-K493 PolarHBondContact OE2-NZ 3.43Å; A490-K493 PolarHBondContact O-N 3.42Å; I491-K493 PolarHBondContact O-N 3.45Å; I491-K493 VanDerWaalsContact O-N 3.15Å; K493-V522 HydrophobicContact CG-CG1 4.47Å
494	H	97	Very high	96.7	Very high	11 Å²	11	24.1 Å²	24.1	5%	0.051	12%	0.117	C	C	.	.	H	α-helix	trans	-95.7	-22.7	-175.9	-78.2	-118.8	0	0	0	114	A490 I491 P568 Y570 F606	A490-H494 PolarHBondContact O-CD2 2.82Å; A490-H494 PolarHBondContact O-N 3.14Å; A490-H494 VanDerWaalsContact O-N 3.1Å; I491-H494 PolarHBondContact O-N 2.88Å; H494-P568 HydrophobicContact CB-CG 3.91Å; H494-P568 PolarHBondContact ND1-O 3.3Å; H494-Y570 HydrophobicContact CB-CE1 4.42Å; H494-Y570 AromaticContact CD2-CE1 3.65Å; H494-Y570 AromaticContact CD2-CZ 3.8Å; H494-Y570 AromaticContact CE1-CE1 3.9Å; H494-Y570 AromaticContact CE1-CE2 3.77Å; H494-Y570 AromaticContact CE1-CZ 3.42Å; H494-Y570 VanDerWaalsContact CE1-CZ 3.42Å; H494-Y570 PolarHBondContact CE1-OH 3.47Å; H494-Y570 AromaticContact CG-CE1 3.77Å; H494-Y570 AromaticContact ND1-CE1 3.91Å; H494-Y570 AromaticContact ND1-CZ 3.87Å; H494-Y570 AromaticContact NE2-CE1 3.77Å; H494-Y570 AromaticContact NE2-CZ 3.38Å; H494-Y570 PolarHBondContact NE2-OH 2.76Å; H494-F606 AromaticContact CE1-CD1 3.74Å; H494-F606 AromaticContact CE1-CD2 3.55Å; H494-F606 AromaticContact CE1-CE1 3.98Å; H494-F606 AromaticContact CE1-CE2 3.77Å; H494-F606 AromaticContact CE1-CG 3.53Å; H494-F606 AromaticContact CE1-CZ 3.98Å; H494-F606 AromaticContact ND1-CZ 3.94Å
495	W	97.9	Very high	96.9	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	11%	0.114	C	C	.	.			trans	-122.6	108.8	-174.6	-177.9	-91.7	0	0	0	111.2	V474 L476 I491 G497 P498 R526 F560 P568 L572 Y573 L576	V474-W495 HydrophobicContact CB-CZ2 4.49Å; V474-W495 HydrophobicContact CG1-CH2 4.23Å; V474-W495 HydrophobicContact CG1-CZ2 4.37Å; V474-W495 WeakPolarHBondContact O-CZ2 3.19Å; L476-W495 HydrophobicContact CB-CD2 4.01Å; L476-W495 HydrophobicContact CB-CG 4.25Å; L476-W495 HydrophobicContact CB-CZ2 3.89Å; L476-W495 HydrophobicContact CD2-CB 4.34Å; L476-W495 HydrophobicContact CD2-CD2 4.31Å; L476-W495 HydrophobicContact CD2-CG 4.05Å; I491-W495 HydrophobicContact CG2-CB 4.49Å; I491-W495 WeakPolarHBondContact O-CB 3.48Å; I491-W495 PolarHBondContact O-N 3.43Å; W495-G497 PolarHBondContact NE1-O 3.39Å; W495-P498 PolarHBondContact NE1-O 3.02Å; W495-R526 PolarHBondContact O-NH1 3.47Å; W495-R526 PolarHBondContact O-NH2 3.35Å; W495-F560 HydrophobicContact CH2-CB 4.2Å; W495-F560 AromaticContact CH2-CD1 3.92Å; W495-F560 HydrophobicContact CH2-CD1 3.92Å; W495-F560 AromaticContact CZ3-CD1 3.78Å; W495-F560 HydrophobicContact CZ3-CD1 3.78Å; W495-F560 HydrophobicContact CZ3-CE1 4.35Å; W495-P568 HydrophobicContact CB-CG 4.17Å; W495-P568 HydrophobicContact CE3-CB 4.37Å; W495-P568 HydrophobicContact CE3-CG 4.15Å; W495-L572 HydrophobicContact CE3-CB 4.44Å; W495-L572 HydrophobicContact CZ3-CB 4.22Å; W495-L572 HydrophobicContact CZ3-CD2 4.01Å; W495-L572 HydrophobicContact CZ3-CG 3.97Å; W495-Y573 HydrophobicContact CH2-CD2 4.39Å; W495-Y573 AromaticContact CZ2-CD2 3.89Å; W495-Y573 HydrophobicContact CZ2-CD2 3.89Å; W495-Y573 HydrophobicContact CZ2-CG 4.47Å; W495-L576 HydrophobicContact CH2-CD1 3.6Å; W495-L576 HydrophobicContact CZ3-CD1 3.78Å
496	E	95.2	Very high	97.1	Very high	93 Å²	93	24.6 Å²	24.6	44%	0.435	12%	0.124	S	C	.	.			trans	-77.6	-30.9	-175.2	-55.9	85.2	172.3	0	0	112.8	R526 N528 G571 Y573	E496-R526 PolarHBondContact O-NH2 3.11Å; E496-N528 PolarHBondContact O-ND2 3.24Å; E496-N528 VanDerWaalsContact O-ND2 3.08Å; E496-G571 PolarHBondContact OE1-N 3.21Å; E496-Y573 HydrophobicContact CB-CD1 4.35Å
497	G	96.6	Very high	97.4	Very high	2 Å²	2	19.5 Å²	19.5	2%	0.021	10%	0.1	C	C	.	.	S	Bend	trans	-70.5	-178.1	-176.5	0	0	0	0	0	115.3	W495 R526 N528	W495-G497 PolarHBondContact NE1-O 3.39Å; G497-R526 PolarHBondContact O-NH2 2.83Å; G497-N528 PolarHBondContact O-ND2 3.09Å; G497-N528 VanDerWaalsContact O-ND2 3.16Å
498	P	98.1	Very high	97.5	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	11%	0.107	C	C	.	.			trans	-65.6	151	177.7	26	-31.5	0	0	0	111.8	Y465 T475 L476 W495 N528 T556	Y465-P498 HydrophobicContact CD1-CB 4.15Å; Y465-P498 HydrophobicContact CD1-CG 4.26Å; Y465-P498 HydrophobicContact CD2-CB 3.98Å; Y465-P498 HydrophobicContact CD2-CG 4.39Å; Y465-P498 HydrophobicContact CE1-CB 4.15Å; Y465-P498 HydrophobicContact CE1-CG 3.76Å; Y465-P498 HydrophobicContact CE2-CB 3.96Å; Y465-P498 HydrophobicContact CE2-CG 3.88Å; Y465-P498 HydrophobicContact CG-CB 4.07Å; T475-P498 WeakPolarHBondContact CA-O 3.3Å; T475-P498 HydrophobicContact CG2-CB 4.49Å; T475-P498 WeakPolarHBondContact OG1-CG 3.04Å; L476-P498 PolarHBondContact N-O 3.05Å; W495-P498 PolarHBondContact NE1-O 3.02Å; P498-N528 VanDerWaalsContact CA-O 3.31Å; P498-N528 WeakPolarHBondContact CA-O 3.42Å; P498-T556 HydrophobicContact CG-CG2 3.75Å
499	I	98.6	Very high	97.5	Very high	2 Å²	2	21.4 Å²	21.4	1%	0.01	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	137	179.6	-49.2	179.3	0	0	0	109.2	L476 I491 L501 N528 V529 G530	L476-I499 HydrophobicContact CB-CG1 4.29Å; L476-I499 HydrophobicContact CB-CG2 4.3Å; L476-I499 HydrophobicContact CD2-CD1 4.41Å; L476-I499 HydrophobicContact CD2-CG1 4.41Å; L476-I499 HydrophobicContact CD2-CG2 4.27Å; L476-I499 HydrophobicContact CG-CG2 4.34Å; L476-I499 CarbonylContact O-C 3.47Å; L476-I499 VanDerWaalsContact O-CA 3.32Å; L476-I499 WeakPolarHBondContact O-CA 3.37Å; I491-I499 HydrophobicContact CG2-CD1 4.01Å; I499-L501 HydrophobicContact CG2-CD1 4.21Å; I499-L501 HydrophobicContact CG2-CD2 3.73Å; I499-L501 HydrophobicContact CG2-CG 3.7Å; I499-N528 PolarHBondContact N-O 2.99Å; I499-V529 HydrophobicContact CB-CB 4.47Å; I499-V529 HydrophobicContact CB-CG1 4.06Å; I499-V529 HydrophobicContact CB-CG2 4.18Å; I499-V529 HydrophobicContact CD1-CG2 4.1Å; I499-V529 HydrophobicContact CG1-CG2 4.29Å; I499-V529 HydrophobicContact CG2-CG1 4.39Å; I499-V529 CarbonylContact O-C 3.49Å; I499-V529 WeakPolarHBondContact O-CA 3.39Å; I499-G530 PolarHBondContact O-N 3.39Å
500	S	98.7	Very high	97.7	Very high	3 Å²	3	18.8 Å²	18.8	2%	0.021	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	121.5	169.5	179.9	0	0	0	0	109.9	L476 A478 H532 A550	L476-S500 PolarHBondContact O-N 3.17Å; A478-S500 PolarHBondContact N-O 3.03Å; A478-S500 VanDerWaalsContact N-O 3.1Å; S500-H532 PolarHBondContact OG-NE2 3.48Å; S500-A550 WeakPolarHBondContact CB-O 3.37Å; S500-A550 WeakPolarHBondContact OG-CA 3.28Å; S500-A550 PolarHBondContact OG-O 2.57Å
501	L	98.7	Very high	97.7	Very high	3 Å²	3	18.3 Å²	18.3	2%	0.016	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	123.3	-174.3	-62.4	174.6	0	0	0	111.1	A478 L480 L488 I499 L503 V529 G530 Y531 H532 I564	A478-L501 HydrophobicContact CB-CD2 3.87Å; A478-L501 WeakPolarHBondContact O-CA 3.46Å; L480-L501 HydrophobicContact CD2-CB 4.21Å; L480-L501 HydrophobicContact CD2-CD2 4.32Å; L488-L501 HydrophobicContact CD2-CD1 3.5Å; I499-L501 HydrophobicContact CG2-CD1 4.21Å; I499-L501 HydrophobicContact CG2-CD2 3.73Å; I499-L501 HydrophobicContact CG2-CG 3.7Å; L501-L503 HydrophobicContact CB-CD1 4.14Å; L501-V529 HydrophobicContact CD1-CG1 3.84Å; L501-V529 HydrophobicContact CG-CG1 4.41Å; L501-G530 PolarHBondContact N-O 2.86Å; L501-Y531 HydrophobicContact CD1-CD1 4.01Å; L501-Y531 HydrophobicContact CD1-CE1 3.85Å; L501-H532 PolarHBondContact O-CD2 3.16Å; L501-H532 PolarHBondContact O-N 3.34Å; L501-I564 HydrophobicContact CD2-CD1 3.91Å
502	A	98.9	Very high	97.7	Very high	0 Å²	0	22 Å²	22	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	119.5	164.7	0	0	0	0	0	110.4	A478 Q479 L480 H532 L546 V549 A550	A478-A502 PolarHBondContact O-N 3.39Å; A478-A502 VanDerWaalsContact O-N 3.16Å; Q479-A502 CarbonylContact C-O 3.5Å; Q479-A502 WeakPolarHBondContact CA-O 3.17Å; Q479-A502 HydrophobicContact CB-CB 4.2Å; Q479-A502 WeakPolarHBondContact CB-O 3.48Å; L480-A502 PolarHBondContact N-O 3.37Å; A502-H532 CarbonylContact C-O 3.51Å; A502-H532 WeakPolarHBondContact CA-O 3.37Å; A502-L546 HydrophobicContact CB-CB 3.97Å; A502-L546 HydrophobicContact CB-CD2 4.22Å; A502-L546 WeakPolarHBondContact CB-O 3.33Å; A502-V549 HydrophobicContact CB-CB 4.34Å; A502-V549 HydrophobicContact CB-CG1 4.31Å; A502-A550 HydrophobicContact CB-CB 4.1Å
503	L	98.8	Very high	97.7	Very high	1 Å²	1	21.5 Å²	21.5	1%	0.005	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	120.7	-178.3	-59.6	94.3	0	0	0	110.4	L480 L501 L505 F513 Y531 H532 I533 V534	L480-L503 HydrophobicContact CD2-CD2 4.11Å; L480-L503 HydrophobicContact CD2-CG 3.69Å; L480-L503 HydrophobicContact CG-CD2 4.34Å; L480-L503 HydrophobicContact CG-CG 4.26Å; L480-L503 CarbonylContact O-C 3.53Å; L480-L503 VanDerWaalsContact O-CA 3.29Å; L480-L503 WeakPolarHBondContact O-CA 3.39Å; L501-L503 HydrophobicContact CB-CD1 4.14Å; L503-L505 HydrophobicContact CB-CD1 3.98Å; L503-L505 HydrophobicContact CB-CG 3.96Å; L503-L505 HydrophobicContact CD2-CD1 4.25Å; L503-L505 PolarHBondContact O-N 3.31Å; L503-F513 HydrophobicContact CD2-CD1 4.21Å; L503-F513 HydrophobicContact CD2-CD2 3.85Å; L503-F513 HydrophobicContact CD2-CE1 4.11Å; L503-F513 HydrophobicContact CD2-CE2 3.75Å; L503-F513 HydrophobicContact CD2-CG 4.09Å; L503-F513 HydrophobicContact CD2-CZ 3.9Å; L503-Y531 HydrophobicContact CD1-CD1 4.09Å; L503-H532 PolarHBondContact N-O 3.33Å; L503-I533 HydrophobicContact CB-CD1 3.76Å; L503-I533 HydrophobicContact CD1-CD1 3.95Å; L503-I533 HydrophobicContact CD2-CD1 4.43Å; L503-I533 HydrophobicContact CG-CD1 4.24Å; L503-I533 WeakPolarHBondContact O-CA 3.43Å; L503-V534 PolarHBondContact O-N 2.86Å
504	Y	98.4	Very high	97.7	Very high	14 Å²	14	16.8 Å²	16.8	6%	0.055	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	93.4	178.8	-170.2	-123.6	0	0	0	111.6	H454 L480 V534 K536 E537 Y541 P542 L546	H454-Y504 AromaticContact CE1-CE2 3.87Å; H454-Y504 AromaticContact ND1-CE2 3.79Å; L480-Y504 PolarHBondContact O-N 3.4Å; Y504-V534 WeakPolarHBondContact CA-O 3.41Å; Y504-V534 HydrophobicContact CD2-CG1 4.34Å; Y504-V534 WeakPolarHBondContact CD2-O 3.49Å; Y504-K536 HydrophobicContact CD1-CG 3.9Å; Y504-K536 HydrophobicContact CD2-CG 4.25Å; Y504-K536 HydrophobicContact CE1-CB 4.46Å; Y504-K536 HydrophobicContact CE1-CG 3.71Å; Y504-K536 HydrophobicContact CE2-CB 4.33Å; Y504-K536 HydrophobicContact CE2-CG 4.03Å; Y504-K536 HydrophobicContact CG-CG 4.19Å; Y504-K536 VanDerWaalsContact O-CE 3.25Å; Y504-K536 WeakPolarHBondContact O-CE 3.32Å; Y504-E537 PolarHBondContact OH-N 3.04Å; Y504-E537 VanDerWaalsContact OH-N 3.09Å; Y504-E537 PolarHBondContact OH-O 3.38Å; Y504-Y541 AromaticContact CD1-CD2 3.37Å; Y504-Y541 HydrophobicContact CD1-CD2 3.37Å; Y504-Y541 AromaticContact CD1-CE2 3.4Å; Y504-Y541 HydrophobicContact CD1-CE2 3.4Å; Y504-Y541 VanDerWaalsContact CD1-CE2 3.4Å; Y504-Y541 AromaticContact CE1-CD2 3.91Å; Y504-Y541 HydrophobicContact CE1-CD2 3.91Å; Y504-Y541 HydrophobicContact CE1-CE2 4.37Å; Y504-Y541 HydrophobicContact CG-CD2 4.16Å; Y504-Y541 AromaticContact CG-CE2 3.82Å; Y504-Y541 HydrophobicContact CG-CE2 3.82Å; Y504-P542 HydrophobicContact CD2-CG 3.96Å; Y504-P542 HydrophobicContact CE2-CG 3.61Å; Y504-P542 VanDerWaalsContact CZ-CD 3.45Å; Y504-L546 HydrophobicContact CD2-CD2 4.17Å; Y504-L546 HydrophobicContact CG-CD1 4.24Å; Y504-L546 HydrophobicContact CG-CD2 4.46Å
505	L	98.5	Very high	97.6	Very high	2 Å²	2	22.6 Å²	22.6	1%	0.01	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	148.7	-168.3	-54.5	-179	0	0	0	112	M482 L503 E509 A510 F513 I533 V534 Y535 K536	M482-L505 HydrophobicContact CB-CD2 3.9Å; M482-L505 HydrophobicContact SD-CD2 4.18Å; L503-L505 HydrophobicContact CB-CD1 3.98Å; L503-L505 HydrophobicContact CB-CG 3.96Å; L503-L505 HydrophobicContact CD2-CD1 4.25Å; L503-L505 PolarHBondContact O-N 3.31Å; L505-E509 HydrophobicContact CB-CB 3.91Å; L505-E509 HydrophobicContact CD2-CB 4.18Å; L505-E509 HydrophobicContact CG-CB 4.48Å; L505-A510 HydrophobicContact CD1-CB 4.48Å; L505-F513 HydrophobicContact CD1-CB 3.73Å; L505-F513 HydrophobicContact CD1-CD1 4.42Å; L505-F513 HydrophobicContact CD1-CG 4.14Å; L505-I533 HydrophobicContact CB-CG2 4.2Å; L505-I533 HydrophobicContact CD1-CD1 3.94Å; L505-V534 PolarHBondContact N-O 3.4Å; L505-Y535 CarbonylContact O-C 3.52Å; L505-Y535 WeakPolarHBondContact O-CA 3.36Å; L505-K536 PolarHBondContact O-N 3.12Å
506	S	98	Very high	97.6	Very high	37 Å²	37	25.9 Å²	25.9	26%	0.259	12%	0.123	S	C	.	.			trans	-72	168	160.4	59.1	0	0	0	0	111	A508 E509 A510	S506-A508 VanDerWaalsContact C-N 3.31Å; S506-A508 PolarHBondContact O-N 3.4Å; S506-E509 WeakPolarHBondContact CB-OE2 3.2Å; S506-E509 PolarHBondContact N-OE2 3Å; S506-E509 PolarHBondContact O-N 2.62Å; S506-E509 WeakPolarHBondContact OG-CB 3.49Å; S506-E509 VanDerWaalsContact OG-CD 3.3Å; S506-E509 VanDerWaalsContact OG-CG 3.25Å; S506-E509 WeakPolarHBondContact OG-CG 3.34Å; S506-E509 PolarHBondContact OG-N 3Å; S506-E509 PolarHBondContact OG-OE2 2.98Å; S506-A510 PolarHBondContact O-N 3.1Å
507	D	98.2	Very high	97.6	Very high	5 Å²	5	21.5 Å²	21.5	3%	0.027	10%	0.103	C	C	.	.	H	α-helix	trans	-56.5	-43.4	174.5	-73.3	-86.6	0	0	0	113.1	K158 Y407 G409 R455 A510 Q511 Y535	K158-D507 WeakPolarHBondContact CE-OD1 3.42Å; K158-D507 IonicContact NZ-OD1 3.54Å; K158-D507 PolarHBondContact NZ-OD1 3.42Å; K158-D507 IonicContact NZ-OD2 2.74Å; Y407-D507 WeakPolarHBondContact O-CB 3.32Å; Y407-D507 VanDerWaalsContact O-CG 3.29Å; G409-D507 PolarHBondContact N-OD2 3.29Å; G409-D507 VanDerWaalsContact N-OD2 3.15Å; R455-D507 IonicContact CZ-OD1 3.55Å; R455-D507 IonicContact CZ-OD2 3.16Å; R455-D507 IonicContact NH1-OD1 3.29Å; R455-D507 IonicContact NH2-OD1 3.59Å; R455-D507 PolarHBondContact NH2-OD1 3.34Å; R455-D507 IonicContact NH2-OD2 2.62Å; R455-D507 PolarHBondContact NH2-OD2 3.49Å; D507-A510 WeakPolarHBondContact O-CB 3.06Å; D507-A510 PolarHBondContact O-N 2.94Å; D507-Q511 WeakPolarHBondContact O-CG 3.5Å; D507-Q511 PolarHBondContact O-N 3.16Å; D507-Y535 HydrophobicContact CB-CE1 4.47Å; D507-Y535 WeakPolarHBondContact OD1-CE1 3.49Å
508	A	97.7	Very high	97.4	Very high	27 Å²	27	26.1 Å²	26.1	22%	0.223	12%	0.124	C	C	.	.	H	α-helix	trans	-64.3	-42.9	175.7	0	0	0	0	0	112.2	E406 S506 A510 Q511 Q512	E406-A508 HydrophobicContact CB-CB 4.08Å; E406-A508 HydrophobicContact CG-CB 4.28Å; S506-A508 VanDerWaalsContact C-N 3.31Å; S506-A508 PolarHBondContact O-N 3.4Å; A508-A510 VanDerWaalsContact C-N 3.33Å; A508-A510 PolarHBondContact O-N 3.1Å; A508-Q511 WeakPolarHBondContact O-CB 3.06Å; A508-Q511 PolarHBondContact O-N 3.33Å; A508-Q512 WeakPolarHBondContact O-CG 3.39Å; A508-Q512 PolarHBondContact O-N 3.32Å; A508-Q512 VanDerWaalsContact O-N 3.11Å
509	E	98.2	Very high	97.3	Very high	35 Å²	35	29.3 Å²	29.3	16%	0.164	16%	0.157	C	C	.	.	H	α-helix	trans	-66.4	-33.7	176.2	-73.6	166.1	137.1	0	0	112.2	M482 L505 S506 Q511 Q512 F513 K536	M482-E509 HydrophobicContact CB-CG 4.47Å; M482-E509 HydrophobicContact CG-CG 4.27Å; M482-E509 HydrophobicContact SD-CB 4.33Å; L505-E509 HydrophobicContact CB-CB 3.91Å; L505-E509 HydrophobicContact CD2-CB 4.18Å; L505-E509 HydrophobicContact CG-CB 4.48Å; S506-E509 WeakPolarHBondContact CB-OE2 3.2Å; S506-E509 PolarHBondContact N-OE2 3Å; S506-E509 PolarHBondContact O-N 2.62Å; S506-E509 WeakPolarHBondContact OG-CB 3.49Å; S506-E509 VanDerWaalsContact OG-CD 3.3Å; S506-E509 VanDerWaalsContact OG-CG 3.25Å; S506-E509 WeakPolarHBondContact OG-CG 3.34Å; S506-E509 PolarHBondContact OG-N 3Å; S506-E509 PolarHBondContact OG-OE2 2.98Å; E509-Q511 PolarHBondContact O-N 2.81Å; E509-Q512 CarbonylContact O-C 3.56Å; E509-Q512 WeakPolarHBondContact O-CB 3.29Å; E509-Q512 PolarHBondContact O-N 2.9Å; E509-Q512 VanDerWaalsContact O-N 3.11Å; E509-F513 WeakPolarHBondContact O-CB 3.25Å; E509-F513 PolarHBondContact O-N 3.32Å; E509-K536 IonicContact OE1-NZ 3.76Å; E509-K536 PolarHBondContact OE1-NZ 3.13Å; E509-K536 WeakPolarHBondContact OE2-CD 3.01Å; E509-K536 WeakPolarHBondContact OE2-CE 2.98Å; E509-K536 IonicContact OE2-NZ 3.29Å; E509-K536 PolarHBondContact OE2-NZ 3.26Å
510	A	98.2	Very high	97.2	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-61.1	-35	173.9	0	0	0	0	0	111.7	F460 L505 S506 D507 A508 F513 L514 I533 Y535	F460-A510 HydrophobicContact CE1-CB 4.45Å; F460-A510 WeakPolarHBondContact CE1-O 3.27Å; F460-A510 HydrophobicContact CE2-CB 4.47Å; F460-A510 HydrophobicContact CZ-CB 3.97Å; L505-A510 HydrophobicContact CD1-CB 4.48Å; S506-A510 PolarHBondContact O-N 3.1Å; D507-A510 WeakPolarHBondContact O-CB 3.06Å; D507-A510 PolarHBondContact O-N 2.94Å; A508-A510 VanDerWaalsContact C-N 3.33Å; A508-A510 PolarHBondContact O-N 3.1Å; A510-F513 PolarHBondContact O-N 3.47Å; A510-L514 PolarHBondContact O-N 2.86Å; A510-I533 HydrophobicContact CB-CG2 4.3Å; A510-Y535 HydrophobicContact CB-CE1 4.33Å
511	Q	96	Very high	97	Very high	17 Å²	17	37.5 Å²	37.5	8%	0.079	20%	0.195	C	C	.	.	H	α-helix	trans	-71.4	-37.7	172.7	-55.9	-47.7	-45.7	0	0	112.7	L405 E406 D507 A508 E509 F513 L514 R515	L405-Q511 HydrophobicContact CD1-CG 4.35Å; L405-Q511 HydrophobicContact CD2-CG 3.64Å; L405-Q511 VanDerWaalsContact CG-CD 3.46Å; L405-Q511 HydrophobicContact CG-CG 3.68Å; E406-Q511 HydrophobicContact CG-CG 4.27Å; D507-Q511 WeakPolarHBondContact O-CG 3.5Å; D507-Q511 PolarHBondContact O-N 3.16Å; A508-Q511 WeakPolarHBondContact O-CB 3.06Å; A508-Q511 PolarHBondContact O-N 3.33Å; E509-Q511 PolarHBondContact O-N 2.81Å; Q511-F513 VanDerWaalsContact C-N 3.32Å; Q511-L514 PolarHBondContact O-N 2.77Å; Q511-R515 WeakPolarHBondContact O-CG 3.48Å; Q511-R515 PolarHBondContact O-N 2.81Å
512	Q	96.7	Very high	96.8	Very high	84 Å²	84	39.1 Å²	39.1	39%	0.393	21%	0.205	S	C	.	.	H	α-helix	trans	-62.9	-42	173.1	-64.7	173.6	39.7	0	0	111	M482 A508 E509 R515 Y516	M482-Q512 HydrophobicContact CE-CB 3.51Å; A508-Q512 WeakPolarHBondContact O-CG 3.39Å; A508-Q512 PolarHBondContact O-N 3.32Å; A508-Q512 VanDerWaalsContact O-N 3.11Å; E509-Q512 CarbonylContact O-C 3.56Å; E509-Q512 WeakPolarHBondContact O-CB 3.29Å; E509-Q512 PolarHBondContact O-N 2.9Å; E509-Q512 VanDerWaalsContact O-N 3.11Å; Q512-R515 PolarHBondContact O-N 3.08Å; Q512-Y516 WeakPolarHBondContact O-CB 3.5Å; Q512-Y516 PolarHBondContact O-N 3.33Å
513	F	97.9	Very high	96.7	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-60.3	-46.8	173.3	168.5	-113.1	0	0	0	111.9	F460 L461 L485 L488 L503 L505 E509 A510 Q511 R515 Y516 A517 Y531 I533	F460-F513 AromaticContact CD1-CD1 3.96Å; F460-F513 HydrophobicContact CD1-CD1 3.96Å; F460-F513 HydrophobicContact CD1-CE1 4.02Å; F460-F513 HydrophobicContact CE1-CD1 4.15Å; L461-F513 HydrophobicContact CD1-CE1 4.02Å; L461-F513 HydrophobicContact CD1-CZ 3.88Å; L461-F513 HydrophobicContact CG-CE1 4.3Å; L485-F513 HydrophobicContact CD1-CD2 3.48Å; L485-F513 VanDerWaalsContact CD1-CD2 3.48Å; L485-F513 HydrophobicContact CD1-CE2 3.86Å; L485-F513 HydrophobicContact CD2-CD2 4.37Å; L488-F513 HydrophobicContact CD1-CE2 3.91Å; L503-F513 HydrophobicContact CD2-CD1 4.21Å; L503-F513 HydrophobicContact CD2-CD2 3.85Å; L503-F513 HydrophobicContact CD2-CE1 4.11Å; L503-F513 HydrophobicContact CD2-CE2 3.75Å; L503-F513 HydrophobicContact CD2-CG 4.09Å; L503-F513 HydrophobicContact CD2-CZ 3.9Å; L505-F513 HydrophobicContact CD1-CB 3.73Å; L505-F513 HydrophobicContact CD1-CD1 4.42Å; L505-F513 HydrophobicContact CD1-CG 4.14Å; E509-F513 WeakPolarHBondContact O-CB 3.25Å; E509-F513 PolarHBondContact O-N 3.32Å; A510-F513 PolarHBondContact O-N 3.47Å; Q511-F513 VanDerWaalsContact C-N 3.32Å; F513-R515 VanDerWaalsContact C-N 3.3Å; F513-R515 PolarHBondContact O-N 3.44Å; F513-Y516 WeakPolarHBondContact O-CB 3.47Å; F513-Y516 PolarHBondContact O-N 3.13Å; F513-Y516 VanDerWaalsContact O-N 3.16Å; F513-A517 HydrophobicContact CE2-CB 4.19Å; F513-A517 HydrophobicContact CZ-CB 4.25Å; F513-A517 WeakPolarHBondContact O-CB 3.42Å; F513-A517 PolarHBondContact O-N 3.09Å; F513-Y531 HydrophobicContact CE1-CD1 4.16Å; F513-Y531 HydrophobicContact CE1-CG 4.31Å; F513-Y531 HydrophobicContact CE2-CD1 4.21Å; F513-Y531 HydrophobicContact CE2-CE1 4.27Å; F513-Y531 AromaticContact CZ-CD1 3.37Å; F513-Y531 HydrophobicContact CZ-CD1 3.37Å; F513-Y531 AromaticContact CZ-CE1 3.74Å; F513-Y531 HydrophobicContact CZ-CE1 3.74Å; F513-Y531 AromaticContact CZ-CG 3.89Å; F513-Y531 HydrophobicContact CZ-CG 3.89Å; F513-I533 HydrophobicContact CD1-CD1 4.05Å; F513-I533 HydrophobicContact CE1-CD1 4.29Å
514	L	96.4	Very high	96.4	Very high	16 Å²	16	44.2 Å²	44.2	8%	0.084	23%	0.23	C	C	.	.	H	α-helix	trans	-55	-47.5	176	-178	59.3	0	0	0	111.3	F460 L461 A510 Q511 A517 Q518	F460-L514 HydrophobicContact CE1-CB 4.05Å; L461-L514 HydrophobicContact CD2-CD1 3.35Å; A510-L514 PolarHBondContact O-N 2.86Å; Q511-L514 PolarHBondContact O-N 2.77Å; L514-A517 PolarHBondContact O-N 3.16Å; L514-Q518 HydrophobicContact CD1-CG 4.25Å; L514-Q518 WeakPolarHBondContact O-CB 3.33Å; L514-Q518 VanDerWaalsContact O-CG 3.23Å; L514-Q518 WeakPolarHBondContact O-CG 3.46Å; L514-Q518 PolarHBondContact O-N 3.33Å
515	R	95	Very high	96.2	Very high	134 Å²	134	47.7 Å²	47.7	51%	0.506	26%	0.256	S	S	.	.	H	α-helix	trans	-63.4	-42	177.7	-70.8	-173.4	-69.6	-111.3	6.4	112.2	Q511 Q512 F513 G519	Q511-R515 WeakPolarHBondContact O-CG 3.48Å; Q511-R515 PolarHBondContact O-N 2.81Å; Q512-R515 PolarHBondContact O-N 3.08Å; F513-R515 VanDerWaalsContact C-N 3.3Å; F513-R515 PolarHBondContact O-N 3.44Å; R515-G519 PolarHBondContact O-N 3.34Å
516	Y	96.3	Very high	96.1	Very high	68 Å²	68	49.1 Å²	49.1	27%	0.267	26%	0.261	S	S	.	.	H	α-helix	trans	-61.3	-51	176.7	172.7	-93.6	0	0	0	111.6	L485 Q512 F513 Q518 G519 S520 L523	L485-Y516 HydrophobicContact CD1-CD1 3.86Å; L485-Y516 HydrophobicContact CD1-CE1 3.92Å; L485-Y516 HydrophobicContact CD2-CD1 3.45Å; L485-Y516 VanDerWaalsContact CD2-CD1 3.45Å; L485-Y516 HydrophobicContact CD2-CD2 3.87Å; L485-Y516 HydrophobicContact CD2-CE1 3.95Å; L485-Y516 HydrophobicContact CD2-CE2 4.33Å; L485-Y516 HydrophobicContact CD2-CG 3.39Å; L485-Y516 HydrophobicContact CG-CD1 3.52Å; L485-Y516 HydrophobicContact CG-CD2 4.34Å; L485-Y516 HydrophobicContact CG-CE1 3.5Å; L485-Y516 VanDerWaalsContact CG-CE1 3.5Å; L485-Y516 HydrophobicContact CG-CE2 4.32Å; L485-Y516 HydrophobicContact CG-CG 3.94Å; L485-Y516 PolarHBondContact O-OH 3.33Å; L485-Y516 VanDerWaalsContact O-OH 3.09Å; Q512-Y516 WeakPolarHBondContact O-CB 3.5Å; Q512-Y516 PolarHBondContact O-N 3.33Å; F513-Y516 WeakPolarHBondContact O-CB 3.47Å; F513-Y516 PolarHBondContact O-N 3.13Å; F513-Y516 VanDerWaalsContact O-N 3.16Å; Y516-Q518 VanDerWaalsContact C-N 3.33Å; Y516-Q518 PolarHBondContact O-N 3.13Å; Y516-G519 PolarHBondContact O-N 2.78Å; Y516-G519 VanDerWaalsContact O-N 3.15Å; Y516-S520 PolarHBondContact O-N 3.42Å; Y516-L523 HydrophobicContact CD1-CD1 4.07Å; Y516-L523 HydrophobicContact CE1-CD1 3.62Å
517	A	96.1	Very high	96	Very high	2 Å²	2	51.5 Å²	51.5	2%	0.017	27%	0.268	C	S	.	.	H	α-helix	trans	-61.5	-42.9	179.7	0	0	0	0	0	111.4	L461 F513 L514 G519 S520 L523 M524	L461-A517 HydrophobicContact CD1-CB 3.57Å; F513-A517 HydrophobicContact CE2-CB 4.19Å; F513-A517 HydrophobicContact CZ-CB 4.25Å; F513-A517 WeakPolarHBondContact O-CB 3.42Å; F513-A517 PolarHBondContact O-N 3.09Å; L514-A517 PolarHBondContact O-N 3.16Å; A517-G519 VanDerWaalsContact C-N 3.29Å; A517-G519 PolarHBondContact O-N 2.84Å; A517-S520 PolarHBondContact O-N 3.44Å; A517-L523 HydrophobicContact CB-CD1 4.41Å; A517-M524 WeakPolarHBondContact O-CG 3.18Å
518	Q	93.1	Very high	95.9	Very high	99 Å²	99	52.6 Å²	52.6	46%	0.463	27%	0.274	S	S	.	.	H	α-helix	trans	-67.1	-26.5	176.8	-73.1	177.3	-14	0	0	114.2	L514 Y516 S520 M524	L514-Q518 HydrophobicContact CD1-CG 4.25Å; L514-Q518 WeakPolarHBondContact O-CB 3.33Å; L514-Q518 VanDerWaalsContact O-CG 3.23Å; L514-Q518 WeakPolarHBondContact O-CG 3.46Å; L514-Q518 PolarHBondContact O-N 3.33Å; Y516-Q518 VanDerWaalsContact C-N 3.33Å; Y516-Q518 PolarHBondContact O-N 3.13Å; Q518-S520 VanDerWaalsContact C-N 3.33Å; Q518-M524 HydrophobicContact CB-SD 4.33Å; Q518-M524 HydrophobicContact CG-SD 4.06Å
519	G	95.1	Very high	95.9	Very high	67 Å²	67	51.3 Å²	51.3	69%	0.691	26%	0.263	S	S	*	.	H	α-helix	trans	-80.5	-12.7	175.7	0	0	0	0	0	114.1	R515 Y516 A517	R515-G519 PolarHBondContact O-N 3.34Å; Y516-G519 PolarHBondContact O-N 2.78Å; Y516-G519 VanDerWaalsContact O-N 3.15Å; A517-G519 VanDerWaalsContact C-N 3.29Å; A517-G519 PolarHBondContact O-N 2.84Å
520	S	96	Very high	95.9	Very high	5 Å²	5	49.7 Å²	49.7	4%	0.035	26%	0.256	C	S	.	.			trans	-99	116.6	-179.3	-179.5	0	0	0	0	111.1	E489 Y516 A517 Q518 V522 L523 M524	E489-S520 VanDerWaalsContact CD-OG 3.23Å; E489-S520 WeakPolarHBondContact CG-OG 3.1Å; E489-S520 WeakPolarHBondContact OE1-CB 3.5Å; E489-S520 PolarHBondContact OE1-OG 2.9Å; Y516-S520 PolarHBondContact O-N 3.42Å; A517-S520 PolarHBondContact O-N 3.44Å; Q518-S520 VanDerWaalsContact C-N 3.33Å; S520-V522 PolarHBondContact O-N 3.22Å; S520-L523 PolarHBondContact O-N 3.48Å; S520-L523 PolarHBondContact OG-N 3.36Å; S520-M524 WeakPolarHBondContact O-CB 3.19Å; S520-M524 WeakPolarHBondContact O-CG 3.45Å; S520-M524 PolarHBondContact O-N 2.5Å
521	E	94.8	Very high	95.9	Very high	172 Å²	172	49.9 Å²	49.9	80%	0.804	26%	0.257	S	S	*	.	H	α-helix	trans	-58.5	-38.1	175	-65.1	-175.9	167.3	0	0	111.7	S525	E521-S525 VanDerWaalsContact O-CB 3.28Å; E521-S525 WeakPolarHBondContact O-CB 3.42Å; E521-S525 PolarHBondContact O-N 2.94Å; E521-S525 PolarHBondContact O-OG 2.88Å; E521-S525 VanDerWaalsContact O-OG 3.12Å
522	V	95.5	Very high	96.1	Very high	37 Å²	37	49.1 Å²	49.1	22%	0.224	25%	0.253	C	S	.	.	H	α-helix	trans	-63.5	-51.1	179.8	177.5	0	0	0	0	110.4	C492 K493 S520 S525 R526	C492-V522 HydrophobicContact CB-CG1 3.88Å; K493-V522 HydrophobicContact CG-CG1 4.47Å; S520-V522 PolarHBondContact O-N 3.22Å; V522-S525 PolarHBondContact O-N 2.82Å; V522-S525 PolarHBondContact O-OG 2.82Å; V522-R526 WeakPolarHBondContact O-CG 3.28Å; V522-R526 PolarHBondContact O-N 3.03Å
523	L	96.1	Very high	96.2	Very high	7 Å²	7	45.1 Å²	45.1	4%	0.037	24%	0.235	C	C	.	.	H	α-helix	trans	-70	-38.1	-177.7	-57.8	179	0	0	0	111.6	L488 E489 C492 Y516 A517 S520 S525 R526	L488-L523 HydrophobicContact CB-CD1 4.31Å; L488-L523 HydrophobicContact CB-CD2 4.23Å; E489-L523 HydrophobicContact CG-CD1 4.39Å; E489-L523 HydrophobicContact CG-CG 4.27Å; C492-L523 HydrophobicContact CB-CD2 4.24Å; Y516-L523 HydrophobicContact CD1-CD1 4.07Å; Y516-L523 HydrophobicContact CE1-CD1 3.62Å; A517-L523 HydrophobicContact CB-CD1 4.41Å; S520-L523 PolarHBondContact O-N 3.48Å; S520-L523 PolarHBondContact OG-N 3.36Å; L523-S525 VanDerWaalsContact C-N 3.3Å; L523-S525 PolarHBondContact O-N 3.14Å; L523-R526 PolarHBondContact O-N 2.87Å
524	M	93.3	Very high	96.2	Very high	101 Å²	101	45.1 Å²	45.1	50%	0.498	24%	0.235	S	C	.	.	H	α-helix	trans	-64.4	-33.1	176	-80.6	-62	-58.9	0	0	113.4	A517 Q518 S520 R526 H527	A517-M524 WeakPolarHBondContact O-CG 3.18Å; Q518-M524 HydrophobicContact CB-SD 4.33Å; Q518-M524 HydrophobicContact CG-SD 4.06Å; S520-M524 WeakPolarHBondContact O-CB 3.19Å; S520-M524 WeakPolarHBondContact O-CG 3.45Å; S520-M524 PolarHBondContact O-N 2.5Å; M524-R526 VanDerWaalsContact C-N 3.29Å; M524-H527 PolarHBondContact O-CE1 3.06Å
525	S	94.3	Very high	96.3	Very high	86 Å²	86	44.6 Å²	44.6	60%	0.601	23%	0.232	S	C	*	.	H	α-helix	trans	-78.9	-11.8	178.6	70.1	0	0	0	0	113.8	E521 V522 L523	E521-S525 VanDerWaalsContact O-CB 3.28Å; E521-S525 WeakPolarHBondContact O-CB 3.42Å; E521-S525 PolarHBondContact O-N 2.94Å; E521-S525 PolarHBondContact O-OG 2.88Å; E521-S525 VanDerWaalsContact O-OG 3.12Å; V522-S525 PolarHBondContact O-N 2.82Å; V522-S525 PolarHBondContact O-OG 2.82Å; L523-S525 VanDerWaalsContact C-N 3.3Å; L523-S525 PolarHBondContact O-N 3.14Å
526	R	94.3	Very high	96.4	Very high	32 Å²	32	41.6 Å²	41.6	12%	0.121	22%	0.222	C	C	.	.			trans	-105.2	110.7	-175	-74.9	-166.6	66.8	144.1	0.9	112.3	C492 W495 E496 G497 V522 L523 M524 N528 V529	C492-R526 VanDerWaalsContact C-NH1 3.34Å; C492-R526 VanDerWaalsContact CA-NH1 3.34Å; C492-R526 PolarHBondContact O-NH1 3.26Å; W495-R526 PolarHBondContact O-NH1 3.47Å; W495-R526 PolarHBondContact O-NH2 3.35Å; E496-R526 PolarHBondContact O-NH2 3.11Å; G497-R526 PolarHBondContact O-NH2 2.83Å; V522-R526 WeakPolarHBondContact O-CG 3.28Å; V522-R526 PolarHBondContact O-N 3.03Å; L523-R526 PolarHBondContact O-N 2.87Å; M524-R526 VanDerWaalsContact C-N 3.29Å; R526-N528 PolarHBondContact NE-OD1 3.2Å; R526-N528 PolarHBondContact NH2-ND2 2.75Å; R526-N528 PolarHBondContact NH2-OD1 2.85Å; R526-V529 HydrophobicContact CB-CG2 4.32Å
527	H	96	Very high	96.3	Very high	87 Å²	87	41 Å²	41	40%	0.403	22%	0.222	S	C	.	.			trans	-97	-9.7	177.4	-54.7	-40.9	0	0	0	113.7	H462 Y463 E464 M524 V529	H462-H527 AromaticContact CD2-CG 3.65Å; H462-H527 AromaticContact CD2-ND1 3.56Å; Y463-H527 CarbonylContact C-O 3.6Å; Y463-H527 VanDerWaalsContact CA-O 3.32Å; Y463-H527 WeakPolarHBondContact CA-O 3.45Å; Y463-H527 WeakPolarHBondContact CD2-O 3.46Å; E464-H527 HydrophobicContact CB-CB 4.32Å; E464-H527 PolarHBondContact N-O 2.83Å; E464-H527 CarbonylContact O-C 3.5Å; E464-H527 VanDerWaalsContact O-O 3.13Å; M524-H527 PolarHBondContact O-CE1 3.06Å; H527-V529 PolarHBondContact O-N 3.49Å
528	N	97.2	Very high	96	Very high	28 Å²	28	43.4 Å²	43.4	15%	0.15	25%	0.246	C	C	.	.	S	Bend	trans	-85.3	26.7	177.4	71.1	-16.4	0	0	0	114.1	Y465 E496 G497 P498 I499 R526	Y465-N528 HydrophobicContact CD2-CB 3.67Å; Y465-N528 HydrophobicContact CE2-CB 4.43Å; Y465-N528 HydrophobicContact CG-CB 4.45Å; E496-N528 PolarHBondContact O-ND2 3.24Å; E496-N528 VanDerWaalsContact O-ND2 3.08Å; G497-N528 PolarHBondContact O-ND2 3.09Å; G497-N528 VanDerWaalsContact O-ND2 3.16Å; P498-N528 VanDerWaalsContact CA-O 3.31Å; P498-N528 WeakPolarHBondContact CA-O 3.42Å; I499-N528 PolarHBondContact N-O 2.99Å; R526-N528 PolarHBondContact NE-OD1 3.2Å; R526-N528 PolarHBondContact NH2-ND2 2.75Å; R526-N528 PolarHBondContact NH2-OD1 2.85Å
529	V	98.1	Very high	95.9	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	112.7	179.6	-175.1	0	0	0	0	110	Y463 I499 L501 R526 H527 Y531	Y463-V529 VanDerWaalsContact CD2-C 3.43Å; I499-V529 HydrophobicContact CB-CB 4.47Å; I499-V529 HydrophobicContact CB-CG1 4.06Å; I499-V529 HydrophobicContact CB-CG2 4.18Å; I499-V529 HydrophobicContact CD1-CG2 4.1Å; I499-V529 HydrophobicContact CG1-CG2 4.29Å; I499-V529 HydrophobicContact CG2-CG1 4.39Å; I499-V529 CarbonylContact O-C 3.49Å; I499-V529 WeakPolarHBondContact O-CA 3.39Å; L501-V529 HydrophobicContact CD1-CG1 3.84Å; L501-V529 HydrophobicContact CG-CG1 4.41Å; R526-V529 HydrophobicContact CB-CG2 4.32Å; H527-V529 PolarHBondContact O-N 3.49Å; V529-Y531 HydrophobicContact CB-CD2 4.38Å; V529-Y531 HydrophobicContact CB-CE2 3.64Å; V529-Y531 HydrophobicContact CG1-CD1 4.12Å; V529-Y531 HydrophobicContact CG1-CD2 4.06Å; V529-Y531 HydrophobicContact CG1-CE1 3.57Å; V529-Y531 HydrophobicContact CG1-CE2 3.5Å; V529-Y531 HydrophobicContact CG1-CG 4.37Å; V529-Y531 WeakPolarHBondContact CG1-OH 3.5Å; V529-Y531 WeakPolarHBondContact O-CD2 3.2Å; V529-Y531 WeakPolarHBondContact O-CE2 3.26Å
530	G	98	Very high	95.9	Very high	1 Å²	1	39.8 Å²	39.8	1%	0.01	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	116.6	174.5	0	0	0	0	0	110.6	I499 L501	I499-G530 PolarHBondContact O-N 3.39Å; L501-G530 PolarHBondContact N-O 2.86Å
531	Y	98.5	Very high	95.8	Very high	4 Å²	4	41.4 Å²	41.4	2%	0.016	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	111.2	177.6	-58.1	-87.3	0	0	0	110.1	Y459 F460 L461 L488 L501 L503 F513 V529	Y459-Y531 CarbonylContact C-O 3.5Å; Y459-Y531 VanDerWaalsContact CA-O 3.25Å; Y459-Y531 WeakPolarHBondContact CA-O 3.38Å; Y459-Y531 PolarHBondContact N-O 3.47Å; Y459-Y531 VanDerWaalsContact N-O 3.08Å; F460-Y531 PolarHBondContact N-O 2.96Å; L461-Y531 HydrophobicContact CB-CD2 3.79Å; L461-Y531 HydrophobicContact CB-CE2 4.26Å; L461-Y531 HydrophobicContact CD1-CD2 3.79Å; L461-Y531 HydrophobicContact CD1-CE2 3.81Å; L461-Y531 HydrophobicContact CD1-CG 4.24Å; L461-Y531 HydrophobicContact CG-CD2 4.08Å; L461-Y531 HydrophobicContact CG-CG 4.5Å; L488-Y531 HydrophobicContact CD1-CE1 4.27Å; L501-Y531 HydrophobicContact CD1-CD1 4.01Å; L501-Y531 HydrophobicContact CD1-CE1 3.85Å; L503-Y531 HydrophobicContact CD1-CD1 4.09Å; F513-Y531 HydrophobicContact CE1-CD1 4.16Å; F513-Y531 HydrophobicContact CE1-CG 4.31Å; F513-Y531 HydrophobicContact CE2-CD1 4.21Å; F513-Y531 HydrophobicContact CE2-CE1 4.27Å; F513-Y531 AromaticContact CZ-CD1 3.37Å; F513-Y531 HydrophobicContact CZ-CD1 3.37Å; F513-Y531 AromaticContact CZ-CE1 3.74Å; F513-Y531 HydrophobicContact CZ-CE1 3.74Å; F513-Y531 AromaticContact CZ-CG 3.89Å; F513-Y531 HydrophobicContact CZ-CG 3.89Å; V529-Y531 HydrophobicContact CB-CD2 4.38Å; V529-Y531 HydrophobicContact CB-CE2 3.64Å; V529-Y531 HydrophobicContact CG1-CD1 4.12Å; V529-Y531 HydrophobicContact CG1-CD2 4.06Å; V529-Y531 HydrophobicContact CG1-CE1 3.57Å; V529-Y531 HydrophobicContact CG1-CE2 3.5Å; V529-Y531 HydrophobicContact CG1-CG 4.37Å; V529-Y531 WeakPolarHBondContact CG1-OH 3.5Å; V529-Y531 WeakPolarHBondContact O-CD2 3.2Å; V529-Y531 WeakPolarHBondContact O-CE2 3.26Å
532	H	98.8	Very high	95.9	Very high	1 Å²	1	33.5 Å²	33.5	1%	0.005	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	113	-178.8	-49.3	-75.9	0	0	0	109.7	H457 L458 Y459 S500 L501 A502 L503 V549 H553	H457-H532 CarbonylContact O-C 3.53Å; L458-H532 HydrophobicContact CD2-CB 4.21Å; L458-H532 WeakPolarHBondContact CD2-ND1 3.33Å; Y459-H532 AromaticContact CD1-CE1 3.65Å; Y459-H532 AromaticContact CE1-CE1 3.46Å; Y459-H532 VanDerWaalsContact CE1-CE1 3.46Å; Y459-H532 WeakPolarHBondContact CE1-CE1 3.4Å; Y459-H532 AromaticContact CZ-CE1 3.78Å; Y459-H532 PolarHBondContact N-ND1 3.36Å; S500-H532 PolarHBondContact OG-NE2 3.48Å; L501-H532 PolarHBondContact O-CD2 3.16Å; L501-H532 PolarHBondContact O-N 3.34Å; A502-H532 CarbonylContact C-O 3.51Å; A502-H532 WeakPolarHBondContact CA-O 3.37Å; L503-H532 PolarHBondContact N-O 3.33Å; H532-V549 HydrophobicContact CB-CG1 3.93Å; H532-H553 VanDerWaalsContact CE1-CB 3.48Å; H532-H553 WeakPolarHBondContact CE1-CB 3.41Å; H532-H553 AromaticContact CE1-CG 3.87Å
533	I	98.8	Very high	96	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	121	177.7	-51	-49.8	0	0	0	109	T456 H457 F460 L503 L505 A510 F513 Y535	T456-I533 CarbonylContact C-O 3.46Å; T456-I533 WeakPolarHBondContact CA-O 3.5Å; H457-I533 HydrophobicContact CB-CB 4.34Å; H457-I533 PolarHBondContact N-O 2.9Å; H457-I533 PolarHBondContact O-N 3.44Å; F460-I533 HydrophobicContact CB-CD1 4.19Å; F460-I533 HydrophobicContact CB-CG1 3.7Å; F460-I533 HydrophobicContact CD1-CD1 4.21Å; F460-I533 HydrophobicContact CD1-CG1 4.01Å; F460-I533 HydrophobicContact CD2-CG1 3.71Å; F460-I533 HydrophobicContact CE2-CG1 4.29Å; F460-I533 HydrophobicContact CG-CD1 4.15Å; F460-I533 HydrophobicContact CG-CG1 3.54Å; L503-I533 HydrophobicContact CB-CD1 3.76Å; L503-I533 HydrophobicContact CD1-CD1 3.95Å; L503-I533 HydrophobicContact CD2-CD1 4.43Å; L503-I533 HydrophobicContact CG-CD1 4.24Å; L503-I533 WeakPolarHBondContact O-CA 3.43Å; L505-I533 HydrophobicContact CB-CG2 4.2Å; L505-I533 HydrophobicContact CD1-CD1 3.94Å; A510-I533 HydrophobicContact CB-CG2 4.3Å; F513-I533 HydrophobicContact CD1-CD1 4.05Å; F513-I533 HydrophobicContact CE1-CD1 4.29Å; I533-Y535 HydrophobicContact CG2-CD1 4.04Å; I533-Y535 HydrophobicContact CG2-CD2 4.47Å; I533-Y535 HydrophobicContact CG2-CE1 3.82Å; I533-Y535 HydrophobicContact CG2-CE2 4.28Å; I533-Y535 HydrophobicContact CG2-CG 4.37Å
534	V	98.7	Very high	96.1	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	113.8	169	179.8	0	0	0	0	106.7	H454 T456 L503 Y504 L505 L545 L546 V549	H454-V534 HydrophobicContact CB-CG1 3.47Å; H454-V534 VanDerWaalsContact CB-CG1 3.47Å; T456-V534 HydrophobicContact CG2-CG2 4.16Å; L503-V534 PolarHBondContact O-N 2.86Å; Y504-V534 WeakPolarHBondContact CA-O 3.41Å; Y504-V534 HydrophobicContact CD2-CG1 4.34Å; Y504-V534 WeakPolarHBondContact CD2-O 3.49Å; L505-V534 PolarHBondContact N-O 3.4Å; V534-L545 HydrophobicContact CG1-CD2 4.46Å; V534-L546 HydrophobicContact CB-CD2 3.5Å; V534-L546 HydrophobicContact CG1-CD2 3.79Å; V534-L546 HydrophobicContact CG2-CD2 3.71Å; V534-V549 HydrophobicContact CG2-CB 4.34Å; V534-V549 HydrophobicContact CG2-CG1 4.05Å; V534-V549 HydrophobicContact CG2-CG2 4.11Å
535	Y	98.5	Very high	96.3	Very high	5 Å²	5	28.2 Å²	28.2	2%	0.02	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	139.3	-170.7	-68.4	-80.7	0	0	0	111.9	L185 H454 R455 H457 L505 D507 A510 I533 E537	L185-Y535 HydrophobicContact CD1-CE2 4.38Å; H454-Y535 PolarHBondContact ND1-O 2.96Å; H454-Y535 VanDerWaalsContact ND1-O 3.08Å; R455-Y535 HydrophobicContact CB-CD2 3.91Å; R455-Y535 HydrophobicContact CG-CD2 3.79Å; R455-Y535 HydrophobicContact CG-CE2 4.26Å; R455-Y535 VanDerWaalsContact CZ-CD2 3.41Å; R455-Y535 VanDerWaalsContact CZ-CE2 3.42Å; R455-Y535 VanDerWaalsContact NH2-CG 3.28Å; R455-Y535 VanDerWaalsContact O-CD2 3.27Å; R455-Y535 WeakPolarHBondContact O-CD2 3.45Å; R455-Y535 PolarHBondContact O-N 3.42Å; H457-Y535 HydrophobicContact CB-CE2 3.93Å; L505-Y535 CarbonylContact O-C 3.52Å; L505-Y535 WeakPolarHBondContact O-CA 3.36Å; D507-Y535 HydrophobicContact CB-CE1 4.47Å; D507-Y535 WeakPolarHBondContact OD1-CE1 3.49Å; A510-Y535 HydrophobicContact CB-CE1 4.33Å; I533-Y535 HydrophobicContact CG2-CD1 4.04Å; I533-Y535 HydrophobicContact CG2-CD2 4.47Å; I533-Y535 HydrophobicContact CG2-CE1 3.82Å; I533-Y535 HydrophobicContact CG2-CE2 4.28Å; I533-Y535 HydrophobicContact CG2-CG 4.37Å; Y535-E537 PolarHBondContact O-N 3.44Å
536	K	97.3	Very high	96.5	Very high	72 Å²	72	24.1 Å²	24.1	31%	0.313	13%	0.125	S	C	.	.			trans	-58.9	129	179.6	-75.4	-179.5	176.9	174.9	0	111.9	N410 Y504 L505 E509	N410-K536 PolarHBondContact ND2-O 3.43Å; Y504-K536 HydrophobicContact CD1-CG 3.9Å; Y504-K536 HydrophobicContact CD2-CG 4.25Å; Y504-K536 HydrophobicContact CE1-CB 4.46Å; Y504-K536 HydrophobicContact CE1-CG 3.71Å; Y504-K536 HydrophobicContact CE2-CB 4.33Å; Y504-K536 HydrophobicContact CE2-CG 4.03Å; Y504-K536 HydrophobicContact CG-CG 4.19Å; Y504-K536 VanDerWaalsContact O-CE 3.25Å; Y504-K536 WeakPolarHBondContact O-CE 3.32Å; L505-K536 PolarHBondContact O-N 3.12Å; E509-K536 IonicContact OE1-NZ 3.76Å; E509-K536 PolarHBondContact OE1-NZ 3.13Å; E509-K536 WeakPolarHBondContact OE2-CD 3.01Å; E509-K536 WeakPolarHBondContact OE2-CE 2.98Å; E509-K536 IonicContact OE2-NZ 3.29Å; E509-K536 PolarHBondContact OE2-NZ 3.26Å
537	E	93.5	Very high	96.7	Very high	56 Å²	56	23.4 Å²	23.4	26%	0.262	12%	0.122	S	C	.	.			trans	-158.6	145.3	174.9	-170.7	165.7	-155.9	0	0	108.4	R413 T452 H454 Y504 Y535	R413-E537 IonicContact CZ-OE2 3.48Å; R413-E537 IonicContact NH1-OE1 3.63Å; R413-E537 PolarHBondContact NH1-OE1 2.89Å; R413-E537 IonicContact NH1-OE2 3.6Å; R413-E537 PolarHBondContact NH1-OE2 2.04Å; R413-E537 IonicContact NH2-OE2 2.76Å; T452-E537 HydrophobicContact CG2-CB 4.29Å; T452-E537 HydrophobicContact CG2-CG 3.91Å; H454-E537 PolarHBondContact CE1-O 3.09Å; Y504-E537 PolarHBondContact OH-N 3.04Å; Y504-E537 VanDerWaalsContact OH-N 3.09Å; Y504-E537 PolarHBondContact OH-O 3.38Å; Y535-E537 PolarHBondContact O-N 3.44Å
538	G	91.2	Very high	96.8	Very high	51 Å²	51	19.7 Å²	19.7	53%	0.526	11%	0.105	S	C	.	.	S	Bend	trans	76.6	-176.3	-177.3	0	0	0	0	0	114.4	E449	E449-G538 WeakPolarHBondContact OE1-CA 3.21Å
539	Q	90	Very high	96.9	Very high	77 Å²	77	19.1 Å²	19.1	36%	0.36	10%	0.102	S	C	.	.	S	Bend	trans	-108.9	-7.7	-167	64.7	151.7	-27.2	0	0	115.7	E445 E449 K716	E445-Q539 VanDerWaalsContact CD-NE2 3.33Å; E445-Q539 PolarHBondContact OE2-NE2 2.74Å; E449-Q539 PolarHBondContact OE1-N 3.44Å; Q539-K716 PolarHBondContact O-NZ 3.4Å
540	F	94.1	Very high	96.9	Very high	13 Å²	13	19.1 Å²	19.1	6%	0.057	10%	0.102	C	C	.	.	S	Bend	trans	-114.2	158.2	176.4	-60.5	-70.4	0	0	0	110.5	E445 F446 E449 P542 V675 K716 Y723	E445-F540 HydrophobicContact CB-CE2 4.05Å; E445-F540 HydrophobicContact CB-CZ 4.48Å; F446-F540 HydrophobicContact CD2-CE2 4.29Å; F446-F540 HydrophobicContact CD2-CZ 4.25Å; F446-F540 HydrophobicContact CE2-CE1 4.37Å; F446-F540 HydrophobicContact CE2-CE2 4.37Å; F446-F540 AromaticContact CE2-CZ 3.92Å; F446-F540 HydrophobicContact CE2-CZ 3.92Å; F446-F540 HydrophobicContact CZ-CZ 4.47Å; E449-F540 HydrophobicContact CB-CD2 4.32Å; E449-F540 HydrophobicContact CG-CD2 3.81Å; E449-F540 HydrophobicContact CG-CE2 4.32Å; F540-P542 WeakPolarHBondContact O-CD 3.28Å; F540-V675 HydrophobicContact CB-CB 4.09Å; F540-V675 HydrophobicContact CB-CG2 3.94Å; F540-V675 HydrophobicContact CD2-CG2 3.81Å; F540-V675 HydrophobicContact CG-CG2 3.97Å; F540-K716 HydrophobicContact CD1-CD 4.4Å; F540-K716 HydrophobicContact CE1-CD 4.1Å; F540-Y723 HydrophobicContact CD1-CE2 4.15Å; F540-Y723 HydrophobicContact CE1-CD2 4.04Å; F540-Y723 AromaticContact CE1-CE2 3.7Å; F540-Y723 HydrophobicContact CE1-CE2 3.7Å
541	Y	95.8	Very high	97	Very high	40 Å²	40	19.7 Å²	19.7	16%	0.157	11%	0.105	C	C	.	.			trans	-76.1	116.6	169.6	-167.2	-106.6	0	0	0	110.2	Q479 L480 S481 Y504 V543 L546 G676 D713	Q479-Y541 PolarHBondContact OE1-OH 2.96Å; L480-Y541 WeakPolarHBondContact CA-OH 3.2Å; L480-Y541 PolarHBondContact O-OH 2.62Å; S481-Y541 PolarHBondContact N-OH 3.16Å; Y504-Y541 AromaticContact CD1-CD2 3.37Å; Y504-Y541 HydrophobicContact CD1-CD2 3.37Å; Y504-Y541 AromaticContact CD1-CE2 3.4Å; Y504-Y541 HydrophobicContact CD1-CE2 3.4Å; Y504-Y541 VanDerWaalsContact CD1-CE2 3.4Å; Y504-Y541 AromaticContact CE1-CD2 3.91Å; Y504-Y541 HydrophobicContact CE1-CD2 3.91Å; Y504-Y541 HydrophobicContact CE1-CE2 4.37Å; Y504-Y541 HydrophobicContact CG-CD2 4.16Å; Y504-Y541 AromaticContact CG-CE2 3.82Å; Y504-Y541 HydrophobicContact CG-CE2 3.82Å; Y541-V543 HydrophobicContact CD1-CB 3.79Å; Y541-V543 HydrophobicContact CD1-CG2 4.23Å; Y541-V543 HydrophobicContact CE1-CB 4.07Å; Y541-V543 HydrophobicContact CE1-CG2 4.08Å; Y541-V543 PolarHBondContact O-N 3.04Å; Y541-L546 HydrophobicContact CD1-CD1 4.24Å; Y541-L546 HydrophobicContact CE1-CD1 3.5Å; Y541-L546 VanDerWaalsContact CE1-CD1 3.5Å; Y541-L546 HydrophobicContact CE2-CD1 3.88Å; Y541-L546 WeakPolarHBondContact OH-CD1 3.44Å; Y541-G676 WeakPolarHBondContact O-CA 3.31Å; Y541-G676 PolarHBondContact O-N 3.4Å; Y541-D713 WeakPolarHBondContact CB-OD2 3.33Å; Y541-D713 PolarHBondContact N-OD2 2.75Å
542	P	96.9	Very high	96.9	Very high	5 Å²	5	27 Å²	27	3%	0.032	14%	0.137	C	C	.	.			trans	-81.7	56.7	-172.1	35.5	-38	0	0	0	111.5	Y504 F540 N544 L545 L546	Y504-P542 HydrophobicContact CD2-CG 3.96Å; Y504-P542 HydrophobicContact CE2-CG 3.61Å; Y504-P542 VanDerWaalsContact CZ-CD 3.45Å; F540-P542 WeakPolarHBondContact O-CD 3.28Å; P542-N544 VanDerWaalsContact C-N 3.32Å; P542-N544 PolarHBondContact O-N 3.24Å; P542-N544 VanDerWaalsContact O-N 3.14Å; P542-L545 HydrophobicContact CB-CB 4.2Å; P542-L545 HydrophobicContact CB-CD2 4.3Å; P542-L545 WeakPolarHBondContact O-CB 3.16Å; P542-L545 PolarHBondContact O-N 3.29Å; P542-L546 HydrophobicContact CG-CD1 4.39Å; P542-L546 HydrophobicContact CG-CG 4.26Å; P542-L546 WeakPolarHBondContact O-CG 3.32Å; P542-L546 PolarHBondContact O-N 2.91Å
543	V	97.1	Very high	96.8	Very high	8 Å²	8	28.1 Å²	28.1	5%	0.048	14%	0.142	C	C	.	.	H	α-helix	trans	-54.8	-40.7	-164.7	69	0	0	0	0	114.4	Q479 Y541 L546 R547 N680	Q479-V543 HydrophobicContact CG-CG2 4.34Å; Y541-V543 HydrophobicContact CD1-CB 3.79Å; Y541-V543 HydrophobicContact CD1-CG2 4.23Å; Y541-V543 HydrophobicContact CE1-CB 4.07Å; Y541-V543 HydrophobicContact CE1-CG2 4.08Å; Y541-V543 PolarHBondContact O-N 3.04Å; V543-L546 PolarHBondContact O-N 3.1Å; V543-R547 VanDerWaalsContact CG2-NH1 3.31Å; V543-R547 WeakPolarHBondContact O-CG 3.47Å; V543-R547 PolarHBondContact O-N 3.4Å; V543-N680 HydrophobicContact CG1-CB 3.92Å; V543-N680 WeakPolarHBondContact CG1-ND2 3.36Å
544	N	97.8	Very high	96.7	Very high	1 Å²	1	28.7 Å²	28.7	1%	0.005	15%	0.145	C	C	.	.	H	α-helix	trans	-75	-34.9	-178.6	-78.6	-1.6	0	0	0	112.1	P542 L546 R547 N548 D671 N680	P542-N544 VanDerWaalsContact C-N 3.32Å; P542-N544 PolarHBondContact O-N 3.24Å; P542-N544 VanDerWaalsContact O-N 3.14Å; N544-L546 VanDerWaalsContact C-N 3.32Å; N544-L546 PolarHBondContact O-N 3.08Å; N544-R547 PolarHBondContact O-N 3.19Å; N544-R547 PolarHBondContact OD1-NH1 2.93Å; N544-R547 VanDerWaalsContact OD1-NH1 3.12Å; N544-N548 PolarHBondContact O-N 3.06Å; N544-N548 PolarHBondContact O-ND2 3.15Å; N544-N548 PolarHBondContact O-OD1 3.44Å; N544-D671 PolarHBondContact ND2-O 3.49Å; N544-N680 WeakPolarHBondContact OD1-CB 3.33Å
545	L	98.1	Very high	96.4	Very high	25 Å²	25	31 Å²	31	13%	0.131	16%	0.161	C	C	.	.	H	α-helix	trans	-59.5	-45.9	168.9	172.8	67.2	0	0	0	110.5	H454 V534 P542 R547 N548 V549	H454-L545 HydrophobicContact CB-CD2 4.09Å; H454-L545 WeakPolarHBondContact CD2-CD2 3.46Å; V534-L545 HydrophobicContact CG1-CD2 4.46Å; P542-L545 HydrophobicContact CB-CB 4.2Å; P542-L545 HydrophobicContact CB-CD2 4.3Å; P542-L545 WeakPolarHBondContact O-CB 3.16Å; P542-L545 PolarHBondContact O-N 3.29Å; L545-R547 PolarHBondContact O-N 3.45Å; L545-N548 PolarHBondContact O-N 2.9Å; L545-V549 HydrophobicContact CD1-CG2 4.28Å; L545-V549 HydrophobicContact CG-CG2 4.48Å; L545-V549 WeakPolarHBondContact O-CG2 3.39Å; L545-V549 PolarHBondContact O-N 3.36Å
546	L	98.6	Very high	96.3	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-61.2	-44	179.3	-61.2	170	0	0	0	111.7	Q479 A502 Y504 V534 Y541 P542 V543 N544 N548 V549 A550	Q479-L546 HydrophobicContact CB-CB 3.64Å; Q479-L546 HydrophobicContact CB-CD1 4.45Å; Q479-L546 HydrophobicContact CG-CB 4.01Å; A502-L546 HydrophobicContact CB-CB 3.97Å; A502-L546 HydrophobicContact CB-CD2 4.22Å; A502-L546 WeakPolarHBondContact CB-O 3.33Å; Y504-L546 HydrophobicContact CD2-CD2 4.17Å; Y504-L546 HydrophobicContact CG-CD1 4.24Å; Y504-L546 HydrophobicContact CG-CD2 4.46Å; V534-L546 HydrophobicContact CB-CD2 3.5Å; V534-L546 HydrophobicContact CG1-CD2 3.79Å; V534-L546 HydrophobicContact CG2-CD2 3.71Å; Y541-L546 HydrophobicContact CD1-CD1 4.24Å; Y541-L546 HydrophobicContact CE1-CD1 3.5Å; Y541-L546 VanDerWaalsContact CE1-CD1 3.5Å; Y541-L546 HydrophobicContact CE2-CD1 3.88Å; Y541-L546 WeakPolarHBondContact OH-CD1 3.44Å; P542-L546 HydrophobicContact CG-CD1 4.39Å; P542-L546 HydrophobicContact CG-CG 4.26Å; P542-L546 WeakPolarHBondContact O-CG 3.32Å; P542-L546 PolarHBondContact O-N 2.91Å; V543-L546 PolarHBondContact O-N 3.1Å; N544-L546 VanDerWaalsContact C-N 3.32Å; N544-L546 PolarHBondContact O-N 3.08Å; L546-N548 VanDerWaalsContact C-N 3.35Å; L546-N548 PolarHBondContact O-N 3.37Å; L546-V549 PolarHBondContact O-N 3.16Å; L546-A550 PolarHBondContact O-N 3.17Å
547	R	98.4	Very high	96.2	Very high	17 Å²	17	29 Å²	29	6%	0.064	16%	0.156	C	C	.	.	H	α-helix	trans	-58.2	-47.2	173.6	-72.1	-170.5	-179.5	103.1	3.4	111.3	Q479 V543 N544 L545 V549 A550 M551 D563 Y670	Q479-R547 HydrophobicContact CG-CG 4Å; V543-R547 VanDerWaalsContact CG2-NH1 3.31Å; V543-R547 WeakPolarHBondContact O-CG 3.47Å; V543-R547 PolarHBondContact O-N 3.4Å; N544-R547 PolarHBondContact O-N 3.19Å; N544-R547 PolarHBondContact OD1-NH1 2.93Å; N544-R547 VanDerWaalsContact OD1-NH1 3.12Å; L545-R547 PolarHBondContact O-N 3.45Å; R547-V549 PolarHBondContact O-N 2.64Å; R547-A550 PolarHBondContact O-N 2.8Å; R547-M551 WeakPolarHBondContact O-CB 3.36Å; R547-M551 WeakPolarHBondContact O-CG 3.3Å; R547-M551 PolarHBondContact O-N 3.42Å; R547-D563 IonicContact CZ-OD1 3.8Å; R547-D563 IonicContact NE-OD1 3.72Å; R547-D563 IonicContact NH2-OD1 2.89Å; R547-D563 PolarHBondContact NH2-OD1 2.72Å; R547-Y670 HydrophobicContact CB-CD2 3.59Å; R547-Y670 HydrophobicContact CB-CE2 3.87Å; R547-Y670 HydrophobicContact CB-CG 4.13Å; R547-Y670 HydrophobicContact CG-CD2 4.33Å; R547-Y670 HydrophobicContact CG-CE2 4.28Å
548	N	98.5	Very high	96.4	Very high	9 Å²	9	27 Å²	27	5%	0.048	15%	0.146	C	C	.	.	H	α-helix	trans	-64.1	-39.5	-179.8	-62.9	-7	0	0	0	112.1	N544 L545 L546 A550 M551 K552 E669 Y670	N544-N548 PolarHBondContact O-N 3.06Å; N544-N548 PolarHBondContact O-ND2 3.15Å; N544-N548 PolarHBondContact O-OD1 3.44Å; L545-N548 PolarHBondContact O-N 2.9Å; L546-N548 VanDerWaalsContact C-N 3.35Å; L546-N548 PolarHBondContact O-N 3.37Å; N548-A550 VanDerWaalsContact C-N 3.34Å; N548-A550 PolarHBondContact O-N 2.98Å; N548-M551 PolarHBondContact O-N 3.31Å; N548-K552 VanDerWaalsContact O-CB 3.28Å; N548-K552 WeakPolarHBondContact O-CB 3.4Å; N548-K552 PolarHBondContact O-N 3.29Å; N548-E669 PolarHBondContact ND2-OE2 3.4Å; N548-Y670 PolarHBondContact ND2-O 2.93Å; N548-Y670 WeakPolarHBondContact OD1-CB 3.45Å; N548-Y670 PolarHBondContact OD1-N 2.82Å
549	V	98.7	Very high	96.8	Very high	16 Å²	16	24.6 Å²	24.6	10%	0.097	12%	0.121	C	C	.	.	H	α-helix	trans	-58.8	-46.5	173.6	170.1	0	0	0	0	110.5	T456 L458 A502 H532 V534 L545 L546 R547 H553	T456-V549 HydrophobicContact CG2-CG1 4.29Å; L458-V549 HydrophobicContact CD2-CG1 4.45Å; A502-V549 HydrophobicContact CB-CB 4.34Å; A502-V549 HydrophobicContact CB-CG1 4.31Å; H532-V549 HydrophobicContact CB-CG1 3.93Å; V534-V549 HydrophobicContact CG2-CB 4.34Å; V534-V549 HydrophobicContact CG2-CG1 4.05Å; V534-V549 HydrophobicContact CG2-CG2 4.11Å; L545-V549 HydrophobicContact CD1-CG2 4.28Å; L545-V549 HydrophobicContact CG-CG2 4.48Å; L545-V549 WeakPolarHBondContact O-CG2 3.39Å; L545-V549 PolarHBondContact O-N 3.36Å; L546-V549 PolarHBondContact O-N 3.16Å; R547-V549 PolarHBondContact O-N 2.64Å; V549-H553 PolarHBondContact O-ND1 3.18Å
550	A	98.7	Very high	97.2	Very high	0 Å²	0	21 Å²	21	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-67.5	-41.2	178.7	0	0	0	0	0	112.4	V477 S500 A502 L546 R547 N548 H553 I554	V477-A550 HydrophobicContact CG1-CB 3.64Å; S500-A550 WeakPolarHBondContact CB-O 3.37Å; S500-A550 WeakPolarHBondContact OG-CA 3.28Å; S500-A550 PolarHBondContact OG-O 2.57Å; A502-A550 HydrophobicContact CB-CB 4.1Å; L546-A550 PolarHBondContact O-N 3.17Å; R547-A550 PolarHBondContact O-N 2.8Å; N548-A550 VanDerWaalsContact C-N 3.34Å; N548-A550 PolarHBondContact O-N 2.98Å; A550-H553 PolarHBondContact O-N 3.48Å; A550-I554 WeakPolarHBondContact O-CG2 3.38Å
551	M	98.3	Very high	97.4	Very high	14 Å²	14	20.7 Å²	20.7	7%	0.069	10%	0.104	C	C	.	.	H	α-helix	trans	-62.5	-42.3	177.7	-70.4	169.3	62	0	0	112.6	V477 R547 N548 H553 I554 M559 L561 C667 Y670	V477-M551 HydrophobicContact CG1-CG 3.88Å; R547-M551 WeakPolarHBondContact O-CB 3.36Å; R547-M551 WeakPolarHBondContact O-CG 3.3Å; R547-M551 PolarHBondContact O-N 3.42Å; N548-M551 PolarHBondContact O-N 3.31Å; M551-H553 PolarHBondContact O-N 2.83Å; M551-I554 WeakPolarHBondContact O-CG1 3.31Å; M551-I554 PolarHBondContact O-N 3.25Å; M551-M559 HydrophobicContact CB-CE 4.26Å; M551-M559 HydrophobicContact CB-SD 4.19Å; M551-M559 HydrophobicContact CE-CE 4.31Å; M551-M559 HydrophobicContact CE-SD 4.03Å; M551-M559 HydrophobicContact CG-CE 4.41Å; M551-M559 HydrophobicContact CG-SD 3.73Å; M551-L561 HydrophobicContact CG-CD2 3.95Å; M551-L561 HydrophobicContact SD-CD2 4.13Å; M551-C667 VanDerWaalsContact CE-SG 3.59Å; M551-Y670 HydrophobicContact SD-CD2 3.49Å; M551-Y670 WeakPolarHBondContact SD-CD2 3.41Å; M551-Y670 HydrophobicContact SD-CE2 3.47Å; M551-Y670 WeakPolarHBondContact SD-CE2 3.27Å
552	K	97.6	Very high	97.5	Very high	156 Å²	156	19.3 Å²	19.3	68%	0.678	10%	0.1	S	C	*	.	H	α-helix	trans	-66.1	-23.7	-175.4	-172.9	174	-179.2	179.9	0	113.5	N548	N548-K552 VanDerWaalsContact O-CB 3.28Å; N548-K552 WeakPolarHBondContact O-CB 3.4Å; N548-K552 PolarHBondContact O-N 3.29Å
553	H	96.5	Very high	97.5	Very high	25 Å²	25	20.3 Å²	20.3	12%	0.116	11%	0.105	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.4	15	-173.5	-62.4	92	0	0	0	113.8	L458 Y459 H532 V549 A550 M551	L458-H553 WeakPolarHBondContact CD1-NE2 3.3Å; L458-H553 VanDerWaalsContact CD2-CE1 3.42Å; L458-H553 WeakPolarHBondContact CD2-CE1 3.46Å; Y459-H553 PolarHBondContact OH-O 3.08Å; H532-H553 VanDerWaalsContact CE1-CB 3.48Å; H532-H553 WeakPolarHBondContact CE1-CB 3.41Å; H532-H553 AromaticContact CE1-CG 3.87Å; V549-H553 PolarHBondContact O-ND1 3.18Å; A550-H553 PolarHBondContact O-N 3.48Å; M551-H553 PolarHBondContact O-N 2.83Å
554	I	96.1	Very high	97.5	Very high	13 Å²	13	20.1 Å²	20.1	7%	0.067	10%	0.103	C	C	.	.			trans	-74.3	145.8	168.9	75.4	177.2	0	0	0	110.6	T475 V477 A550 M551 T556 M559 R665	T475-I554 HydrophobicContact CG2-CB 4.21Å; T475-I554 HydrophobicContact CG2-CG2 3.69Å; V477-I554 HydrophobicContact CG2-CG2 3.64Å; A550-I554 WeakPolarHBondContact O-CG2 3.38Å; M551-I554 WeakPolarHBondContact O-CG1 3.31Å; M551-I554 PolarHBondContact O-N 3.25Å; I554-T556 WeakPolarHBondContact CD1-O 3.5Å; I554-M559 HydrophobicContact CD1-CB 3.81Å; I554-M559 HydrophobicContact CD1-CE 3.38Å; I554-M559 HydrophobicContact CD1-CG 4.35Å; I554-M559 HydrophobicContact CD1-SD 4.3Å; I554-M559 HydrophobicContact CG1-CE 4.44Å; I554-R665 HydrophobicContact CD1-CB 3.99Å
555	S	92	Very high	97.4	Very high	48 Å²	48	21 Å²	21	34%	0.336	11%	0.108	S	C	.	.			trans	-99.6	-6.9	172.7	51.7	0	0	0	0	113.5	Y463	Y463-S555 PolarHBondContact OH-OG 3.24Å
556	T	96.3	Very high	97.4	Very high	1 Å²	1	20 Å²	20	1%	0.006	10%	0.102	C	C	.	.	S	Bend	trans	-96	156	-175.5	62.9	0	0	0	0	112.5	Y465 D473 T475 P498 I554 Y558	Y465-T556 HydrophobicContact CD1-CG2 4.44Å; Y465-T556 HydrophobicContact CE1-CG2 3.79Å; D473-T556 HydrophobicContact CB-CG2 3.48Å; D473-T556 VanDerWaalsContact CB-CG2 3.48Å; D473-T556 WeakPolarHBondContact O-CB 3.43Å; T475-T556 VanDerWaalsContact CB-OG1 3.31Å; T475-T556 WeakPolarHBondContact CB-OG1 3.01Å; T475-T556 PolarHBondContact N-OG1 3.32Å; T475-T556 VanDerWaalsContact OG1-CG2 3.25Å; T475-T556 WeakPolarHBondContact OG1-CG2 3.49Å; T475-T556 PolarHBondContact OG1-OG1 3.32Å; P498-T556 HydrophobicContact CG-CG2 3.75Å; I554-T556 WeakPolarHBondContact CD1-O 3.5Å; T556-Y558 VanDerWaalsContact C-N 3.3Å; T556-Y558 PolarHBondContact O-N 3.28Å; T556-Y558 PolarHBondContact OG1-O 3.1Å
557	P	96.5	Very high	97.4	Very high	33 Å²	33	20.6 Å²	20.6	21%	0.214	11%	0.106	C	C	.	.	S	Bend	trans	-71.5	-22.9	180	23	-28.7	0	0	0	113.9	S471 R665	S471-P557 WeakPolarHBondContact O-CG 3.39Å; P557-R665 WeakPolarHBondContact O-CB 3.25Å; P557-R665 PolarHBondContact O-N 2.8Å
558	Y	98.2	Very high	97.4	Very high	14 Å²	14	20 Å²	20	6%	0.055	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	154.8	179.4	-53.3	-76.9	0	0	0	111.2	S471 D473 V474 T475 T556 V580 L585 A586 V663 R664	S471-Y558 WeakPolarHBondContact O-CE2 3.47Å; D473-Y558 PolarHBondContact O-N 3.5Å; V474-Y558 WeakPolarHBondContact CA-O 3.13Å; T475-Y558 PolarHBondContact N-O 3.07Å; T556-Y558 VanDerWaalsContact C-N 3.3Å; T556-Y558 PolarHBondContact O-N 3.28Å; T556-Y558 PolarHBondContact OG1-O 3.1Å; Y558-V580 HydrophobicContact CD1-CG1 4.38Å; Y558-V580 HydrophobicContact CD1-CG2 4.42Å; Y558-V580 HydrophobicContact CD2-CG1 3.7Å; Y558-V580 HydrophobicContact CD2-CG2 4.1Å; Y558-V580 HydrophobicContact CE1-CG1 3.99Å; Y558-V580 HydrophobicContact CE2-CB 4.48Å; Y558-V580 HydrophobicContact CE2-CG1 3.24Å; Y558-V580 HydrophobicContact CE2-CG2 4.47Å; Y558-V580 HydrophobicContact CG-CG1 4.25Å; Y558-V580 HydrophobicContact CG-CG2 4.09Å; Y558-L585 HydrophobicContact CD1-CB 4.39Å; Y558-L585 HydrophobicContact CD1-CD2 4.28Å; Y558-L585 HydrophobicContact CE1-CB 3.7Å; Y558-L585 HydrophobicContact CE1-CD2 4.4Å; Y558-A586 WeakPolarHBondContact OH-CA 3.2Å; Y558-A586 PolarHBondContact OH-N 2.83Å; Y558-V663 WeakPolarHBondContact CA-O 3.38Å; Y558-R664 HydrophobicContact CD1-CB 4.08Å; Y558-R664 HydrophobicContact CD1-CG 4.21Å; Y558-R664 HydrophobicContact CE1-CB 4.07Å; Y558-R664 HydrophobicContact CE1-CG 3.93Å
559	M	98	Very high	97.3	Very high	1 Å²	1	21 Å²	21	1%	0.005	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	143.9	176.5	60.6	178.2	91	0	0	111.5	T475 V477 M551 I554 L561 V662 V663 R665	T475-M559 CarbonylContact O-C 3.55Å; T475-M559 VanDerWaalsContact O-CA 3.25Å; T475-M559 WeakPolarHBondContact O-CA 3.35Å; V477-M559 HydrophobicContact CG2-CB 3.77Å; V477-M559 HydrophobicContact CG2-SD 4.37Å; M551-M559 HydrophobicContact CB-CE 4.26Å; M551-M559 HydrophobicContact CB-SD 4.19Å; M551-M559 HydrophobicContact CE-CE 4.31Å; M551-M559 HydrophobicContact CE-SD 4.03Å; M551-M559 HydrophobicContact CG-CE 4.41Å; M551-M559 HydrophobicContact CG-SD 3.73Å; I554-M559 HydrophobicContact CD1-CB 3.81Å; I554-M559 HydrophobicContact CD1-CE 3.38Å; I554-M559 HydrophobicContact CD1-CG 4.35Å; I554-M559 HydrophobicContact CD1-SD 4.3Å; I554-M559 HydrophobicContact CG1-CE 4.44Å; M559-L561 HydrophobicContact CG-CD2 4.02Å; M559-L561 HydrophobicContact CG-CG 4.26Å; M559-L561 HydrophobicContact SD-CD2 3.48Å; M559-L561 WeakPolarHBondContact SD-CD2 3.28Å; M559-L561 HydrophobicContact SD-CG 4.24Å; M559-V662 VanDerWaalsContact O-CA 3.25Å; M559-V662 WeakPolarHBondContact O-CA 3.47Å; M559-V663 HydrophobicContact CG-CG2 3.97Å; M559-V663 PolarHBondContact N-O 2.7Å; M559-V663 PolarHBondContact O-N 3.46Å; M559-R665 HydrophobicContact CE-CB 4.12Å
560	F	98.7	Very high	97.3	Very high	1 Å²	1	25.6 Å²	25.6	0%	0.004	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	108.2	170	178.5	-150.9	0	0	0	109.3	V474 T475 L476 V477 W495 S562 L572 L576 V594 V662 M703	V474-F560 HydrophobicContact CG1-CB 3.84Å; T475-F560 PolarHBondContact O-N 3.26Å; L476-F560 HydrophobicContact CD1-CB 4.45Å; L476-F560 HydrophobicContact CD1-CD1 3.53Å; L476-F560 HydrophobicContact CD1-CE1 4.05Å; L476-F560 HydrophobicContact CD1-CG 4.19Å; V477-F560 PolarHBondContact N-O 2.83Å; W495-F560 HydrophobicContact CH2-CB 4.2Å; W495-F560 AromaticContact CH2-CD1 3.92Å; W495-F560 HydrophobicContact CH2-CD1 3.92Å; W495-F560 AromaticContact CZ3-CD1 3.78Å; W495-F560 HydrophobicContact CZ3-CD1 3.78Å; W495-F560 HydrophobicContact CZ3-CE1 4.35Å; F560-S562 PolarHBondContact O-N 3.41Å; F560-L572 HydrophobicContact CD1-CD2 4.48Å; F560-L572 HydrophobicContact CE1-CD2 3.82Å; F560-L572 HydrophobicContact CZ-CD2 4.36Å; F560-L576 HydrophobicContact CD1-CD1 4.38Å; F560-L576 HydrophobicContact CG-CD1 4.44Å; F560-V594 HydrophobicContact CD2-CG2 4.39Å; F560-V594 HydrophobicContact CE2-CB 3.89Å; F560-V594 HydrophobicContact CE2-CG2 3.71Å; F560-V594 HydrophobicContact CZ-CB 3.92Å; F560-V594 HydrophobicContact CZ-CG1 4.04Å; F560-V594 HydrophobicContact CZ-CG2 3.89Å; F560-V662 HydrophobicContact CB-CG2 3.92Å; F560-V662 HydrophobicContact CD2-CG2 3.67Å; F560-V662 HydrophobicContact CE2-CG2 4.47Å; F560-V662 HydrophobicContact CG-CG2 3.98Å; F560-M703 HydrophobicContact CE1-CE 4.26Å; F560-M703 HydrophobicContact CE2-CE 4.48Å; F560-M703 HydrophobicContact CE2-SD 4.31Å; F560-M703 HydrophobicContact CZ-CE 3.63Å; F560-M703 HydrophobicContact CZ-SD 3.65Å
561	L	98.6	Very high	97.2	Very high	8 Å²	8	27 Å²	27	4%	0.042	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	108.7	-176.3	-61.8	176.4	0	0	0	110	V477 M551 M559 V661 V663 Y670	V477-L561 HydrophobicContact CB-CD2 4.09Å; V477-L561 HydrophobicContact CG1-CD2 4.14Å; M551-L561 HydrophobicContact CG-CD2 3.95Å; M551-L561 HydrophobicContact SD-CD2 4.13Å; M559-L561 HydrophobicContact CG-CD2 4.02Å; M559-L561 HydrophobicContact CG-CG 4.26Å; M559-L561 HydrophobicContact SD-CD2 3.48Å; M559-L561 WeakPolarHBondContact SD-CD2 3.28Å; M559-L561 HydrophobicContact SD-CG 4.24Å; L561-V661 HydrophobicContact CD1-CG2 4.23Å; L561-V661 PolarHBondContact N-O 3.17Å; L561-V663 HydrophobicContact CD1-CG2 3.74Å; L561-V663 HydrophobicContact CG-CG2 4.23Å; L561-Y670 HydrophobicContact CD1-CE2 4.29Å; L561-Y670 HydrophobicContact CD2-CE2 4.42Å
562	S	97.9	Very high	97.2	Very high	11 Å²	11	26.3 Å²	26.3	8%	0.077	14%	0.136	C	C	.	.			trans	-133.3	156.4	-172.9	-166	0	0	0	0	113.2	V477 F560 M703	V477-S562 PolarHBondContact O-N 2.84Å; F560-S562 PolarHBondContact O-N 3.41Å; S562-M703 WeakPolarHBondContact OG-CE 3.49Å
563	D	97	Very high	97.2	Very high	25 Å²	25	19.8 Å²	19.8	13%	0.134	11%	0.107	C	C	.	.			trans	-89.8	147.2	165.1	-67.6	-28.3	0	0	0	109.2	R547 D565 F566 Y660 K681	R547-D563 IonicContact CZ-OD1 3.8Å; R547-D563 IonicContact NE-OD1 3.72Å; R547-D563 IonicContact NH2-OD1 2.89Å; R547-D563 PolarHBondContact NH2-OD1 2.72Å; D563-D565 PolarHBondContact O-N 3.36Å; D563-D565 VanDerWaalsContact O-N 3.07Å; D563-F566 HydrophobicContact CB-CD2 4.06Å; D563-F566 HydrophobicContact CB-CE2 4.2Å; D563-F566 PolarHBondContact O-N 3.48Å; D563-Y660 HydrophobicContact CB-CE1 4.18Å; D563-Y660 PolarHBondContact OD2-OH 3.28Å; D563-K681 IonicContact OD2-NZ 3.46Å; D563-K681 PolarHBondContact OD2-NZ 2.85Å
564	I	97.6	Very high	97.2	Very high	4 Å²	4	22.1 Å²	22.1	2%	0.021	12%	0.118	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-17.9	-174.1	-159.5	72.9	0	0	0	114.1	A478 Q479 L480 R484 M487 L488 I491 L501 F566	A478-I564 HydrophobicContact CB-CD1 4Å; Q479-I564 WeakPolarHBondContact O-CB 3Å; L480-I564 HydrophobicContact CB-CB 4.06Å; L480-I564 HydrophobicContact CB-CD1 4.39Å; L480-I564 HydrophobicContact CB-CG1 3.87Å; L480-I564 HydrophobicContact CB-CG2 3.89Å; L480-I564 HydrophobicContact CD1-CD1 4.35Å; L480-I564 HydrophobicContact CD1-CG1 4.1Å; L480-I564 HydrophobicContact CD2-CD1 4.26Å; L480-I564 HydrophobicContact CG-CG1 4.43Å; R484-I564 HydrophobicContact CB-CG2 3.83Å; R484-I564 HydrophobicContact CG-CG2 4.02Å; M487-I564 HydrophobicContact CB-CG1 4.11Å; M487-I564 WeakPolarHBondContact CB-O 3.45Å; M487-I564 WeakPolarHBondContact CE-O 3.2Å; L488-I564 HydrophobicContact CD2-CD1 4.01Å; I491-I564 HydrophobicContact CD1-CD1 3.45Å; I491-I564 VanDerWaalsContact CD1-CD1 3.45Å; I491-I564 HydrophobicContact CD1-CG1 3.9Å; I491-I564 WeakPolarHBondContact CD1-O 3.27Å; L501-I564 HydrophobicContact CD2-CD1 3.91Å; I564-F566 PolarHBondContact O-N 3.18Å
565	D	96.3	Very high	97.3	Very high	20 Å²	20	23.8 Å²	23.8	11%	0.107	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78	1.9	-177.5	-65.6	-61.5	0	0	0	113.3	R484 D563 H705 M706 H708	R484-D565 WeakPolarHBondContact CD-OD1 3.4Å; R484-D565 IonicContact CZ-OD1 3.62Å; R484-D565 IonicContact NE-OD1 3.86Å; R484-D565 PolarHBondContact NE-OD1 3.28Å; R484-D565 IonicContact NE-OD2 3.66Å; D563-D565 PolarHBondContact O-N 3.36Å; D563-D565 VanDerWaalsContact O-N 3.07Å; D565-H705 WeakPolarHBondContact O-CA 3.45Å; D565-M706 PolarHBondContact O-N 2.64Å; D565-H708 IonicContact OD1-CD2 3.12Å; D565-H708 PolarHBondContact OD1-CD2 3.24Å; D565-H708 VanDerWaalsContact OD1-CD2 3.29Å; D565-H708 IonicContact OD1-CG 2.7Å; D565-H708 IonicContact OD2-CD2 2.73Å; D565-H708 IonicContact OD2-NE2 3.98Å
566	F	97.9	Very high	97.6	Very high	3 Å²	3	21.5 Å²	21.5	1%	0.013	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	138.5	179.2	-73.5	-93.1	0	0	0	113.5	D563 I564 A596 F625 Y660 M703 I704 H705	D563-F566 HydrophobicContact CB-CD2 4.06Å; D563-F566 HydrophobicContact CB-CE2 4.2Å; D563-F566 PolarHBondContact O-N 3.48Å; I564-F566 PolarHBondContact O-N 3.18Å; F566-A596 HydrophobicContact CE1-CB 3.74Å; F566-A596 HydrophobicContact CZ-CB 4.24Å; F566-F625 HydrophobicContact CE1-CG 4.49Å; F566-F625 HydrophobicContact CE2-CE1 4.41Å; F566-F625 HydrophobicContact CE2-CZ 4.25Å; F566-F625 AromaticContact CZ-CD1 3.87Å; F566-F625 HydrophobicContact CZ-CD1 3.87Å; F566-F625 HydrophobicContact CZ-CD2 4.13Å; F566-F625 AromaticContact CZ-CE1 3.75Å; F566-F625 HydrophobicContact CZ-CE1 3.75Å; F566-F625 AromaticContact CZ-CE2 3.94Å; F566-F625 HydrophobicContact CZ-CE2 3.94Å; F566-F625 HydrophobicContact CZ-CG 4.1Å; F566-F625 AromaticContact CZ-CZ 3.76Å; F566-F625 HydrophobicContact CZ-CZ 3.76Å; F566-Y660 HydrophobicContact CD2-CE1 4.3Å; F566-Y660 HydrophobicContact CD2-CE2 4.47Å; F566-Y660 AromaticContact CE1-CE2 3.93Å; F566-Y660 HydrophobicContact CE1-CE2 3.93Å; F566-Y660 AromaticContact CE2-CE1 3.91Å; F566-Y660 HydrophobicContact CE2-CE1 3.91Å; F566-Y660 AromaticContact CE2-CE2 3.69Å; F566-Y660 HydrophobicContact CE2-CE2 3.69Å; F566-Y660 AromaticContact CE2-CZ 3.23Å; F566-Y660 WeakPolarHBondContact CE2-OH 3.37Å; F566-Y660 HydrophobicContact CZ-CD2 4.35Å; F566-Y660 HydrophobicContact CZ-CE1 4.44Å; F566-Y660 AromaticContact CZ-CE2 3.36Å; F566-Y660 HydrophobicContact CZ-CE2 3.36Å; F566-Y660 AromaticContact CZ-CZ 3.42Å; F566-Y660 VanDerWaalsContact CZ-CZ 3.42Å; F566-Y660 VanDerWaalsContact CZ-OH 3.23Å; F566-Y660 WeakPolarHBondContact CZ-OH 3.49Å; F566-M703 HydrophobicContact CB-CE 3.33Å; F566-M703 HydrophobicContact CD1-CB 4.12Å; F566-M703 HydrophobicContact CD1-CE 3.69Å; F566-M703 HydrophobicContact CD1-CG 3.62Å; F566-M703 HydrophobicContact CD1-SD 4.19Å; F566-M703 HydrophobicContact CD2-CE 4.13Å; F566-M703 HydrophobicContact CE1-CG 4.14Å; F566-M703 HydrophobicContact CG-CE 3.44Å; F566-M703 VanDerWaalsContact CG-CE 3.44Å; F566-M703 HydrophobicContact CG-CG 4.37Å; F566-M703 HydrophobicContact CG-SD 4.49Å; F566-I704 WeakPolarHBondContact CA-O 3.48Å; F566-H705 HydrophobicContact CD1-CB 3.93Å; F566-H705 VanDerWaalsContact CD1-N 3.32Å; F566-H705 HydrophobicContact CE1-CB 3.45Å; F566-H705 VanDerWaalsContact CE1-CB 3.45Å; F566-H705 HydrophobicContact CE2-CB 4.29Å; F566-H705 AromaticContact CE2-CD2 3.55Å; F566-H705 HydrophobicContact CZ-CB 3.64Å; F566-H705 AromaticContact CZ-CD2 3.62Å
567	L	97.8	Very high	97.7	Very high	13 Å²	13	23.6 Å²	23.6	7%	0.068	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	121	163.8	-64.4	-178.1	0	0	0	109.6	M487 A490 I491 F606 M703 I704 M706	M487-L567 HydrophobicContact CE-CD2 3.72Å; M487-L567 HydrophobicContact CE-CG 3.93Å; A490-L567 HydrophobicContact CB-CD1 4.28Å; A490-L567 HydrophobicContact CB-CD2 3.56Å; I491-L567 HydrophobicContact CG1-CD2 3.96Å; L567-F606 HydrophobicContact CB-CD2 4.28Å; L567-F606 HydrophobicContact CB-CE2 3.58Å; L567-F606 HydrophobicContact CB-CZ 4.3Å; L567-F606 HydrophobicContact CD1-CD2 4.32Å; L567-F606 HydrophobicContact CD1-CE2 4.42Å; L567-M703 WeakPolarHBondContact O-CA 3.44Å; L567-I704 PolarHBondContact N-O 3.35Å; L567-I704 PolarHBondContact O-N 3.05Å; L567-M706 HydrophobicContact CD1-CG 3.92Å; L567-M706 HydrophobicContact CD1-SD 3.99Å; L567-M706 HydrophobicContact CG-CG 3.91Å; L567-M706 HydrophobicContact CG-SD 4.43Å
568	P	98.2	Very high	97.7	Very high	4 Å²	4	28.5 Å²	28.5	3%	0.026	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	158.3	173.7	28.3	-30.3	0	0	0	110.9	H494 W495 L572 F606	H494-P568 HydrophobicContact CB-CG 3.91Å; H494-P568 PolarHBondContact ND1-O 3.3Å; W495-P568 HydrophobicContact CB-CG 4.17Å; W495-P568 HydrophobicContact CE3-CB 4.37Å; W495-P568 HydrophobicContact CE3-CG 4.15Å; P568-L572 HydrophobicContact CB-CB 4.18Å; P568-L572 HydrophobicContact CB-CD2 3.43Å; P568-L572 VanDerWaalsContact CB-CD2 3.43Å; P568-L572 HydrophobicContact CB-CG 4.43Å; P568-F606 WeakPolarHBondContact O-CZ 3.09Å
569	M	97.5	Very high	97.7	Very high	32 Å²	32	27.9 Å²	27.9	16%	0.158	13%	0.132	C	C	.	.	P	Polyproline II helix	trans	-61	147.8	168	67.7	172.5	-81.3	0	0	111.8	G571 L572 Y702	M569-G571 PolarHBondContact O-N 3.43Å; M569-L572 HydrophobicContact CG-CB 3.78Å; M569-L572 HydrophobicContact CG-CD1 4.1Å; M569-L572 HydrophobicContact CG-CG 4.39Å; M569-L572 WeakPolarHBondContact O-CB 3.18Å; M569-L572 PolarHBondContact O-N 3.25Å; M569-L572 VanDerWaalsContact O-N 3.13Å; M569-L572 HydrophobicContact SD-CD1 4.47Å; M569-Y702 HydrophobicContact CB-CD1 4.23Å; M569-Y702 HydrophobicContact CB-CD2 3.95Å; M569-Y702 HydrophobicContact CB-CE1 3.84Å; M569-Y702 HydrophobicContact CB-CE2 3.55Å; M569-Y702 HydrophobicContact CB-CG 4.27Å; M569-Y702 VanDerWaalsContact CB-CZ 3.49Å; M569-Y702 HydrophobicContact CE-CE1 4.33Å; M569-Y702 HydrophobicContact CG-CD1 4.46Å; M569-Y702 HydrophobicContact CG-CE1 4.33Å; M569-Y702 PolarHBondContact N-O 2.91Å; M569-Y702 VanDerWaalsContact N-O 3.13Å; M569-Y702 HydrophobicContact SD-CD1 3.74Å; M569-Y702 HydrophobicContact SD-CE1 3.63Å; M569-Y702 HydrophobicContact SD-CG 4.44Å
570	Y	96.9	Very high	97.7	Very high	112 Å²	112	28 Å²	28	44%	0.439	13%	0.133	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.7	138.4	173.1	-65.2	-71.5	0	0	0	111	H494 L572 F606	H494-Y570 HydrophobicContact CB-CE1 4.42Å; H494-Y570 AromaticContact CD2-CE1 3.65Å; H494-Y570 AromaticContact CD2-CZ 3.8Å; H494-Y570 AromaticContact CE1-CE1 3.9Å; H494-Y570 AromaticContact CE1-CE2 3.77Å; H494-Y570 AromaticContact CE1-CZ 3.42Å; H494-Y570 VanDerWaalsContact CE1-CZ 3.42Å; H494-Y570 PolarHBondContact CE1-OH 3.47Å; H494-Y570 AromaticContact CG-CE1 3.77Å; H494-Y570 AromaticContact ND1-CE1 3.91Å; H494-Y570 AromaticContact ND1-CZ 3.87Å; H494-Y570 AromaticContact NE2-CE1 3.77Å; H494-Y570 AromaticContact NE2-CZ 3.38Å; H494-Y570 PolarHBondContact NE2-OH 2.76Å; Y570-L572 PolarHBondContact O-N 2.92Å; Y570-F606 HydrophobicContact CD2-CD1 4.25Å; Y570-F606 AromaticContact CE2-CD1 3.99Å; Y570-F606 HydrophobicContact CE2-CD1 3.99Å
571	G	97.2	Very high	97.6	Very high	28 Å²	28	33.1 Å²	33.1	29%	0.289	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	71.9	11.4	-176.7	0	0	0	0	0	114.8	E496 M569 Y573 E574 Y575	E496-G571 PolarHBondContact OE1-N 3.21Å; M569-G571 PolarHBondContact O-N 3.43Å; G571-Y573 VanDerWaalsContact C-N 3.28Å; G571-Y573 PolarHBondContact O-N 3.12Å; G571-E574 PolarHBondContact O-N 3.34Å; G571-Y575 PolarHBondContact O-N 3.48Å; G571-Y575 VanDerWaalsContact O-N 3.12Å
572	L	98.3	Very high	97.5	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-59	-39.5	177.6	-177.3	60.4	0	0	0	111.7	W495 F560 P568 M569 Y570 E574 Y575 L576 V594 A701	W495-L572 HydrophobicContact CE3-CB 4.44Å; W495-L572 HydrophobicContact CZ3-CB 4.22Å; W495-L572 HydrophobicContact CZ3-CD2 4.01Å; W495-L572 HydrophobicContact CZ3-CG 3.97Å; F560-L572 HydrophobicContact CD1-CD2 4.48Å; F560-L572 HydrophobicContact CE1-CD2 3.82Å; F560-L572 HydrophobicContact CZ-CD2 4.36Å; P568-L572 HydrophobicContact CB-CB 4.18Å; P568-L572 HydrophobicContact CB-CD2 3.43Å; P568-L572 VanDerWaalsContact CB-CD2 3.43Å; P568-L572 HydrophobicContact CB-CG 4.43Å; M569-L572 HydrophobicContact CG-CB 3.78Å; M569-L572 HydrophobicContact CG-CD1 4.1Å; M569-L572 HydrophobicContact CG-CG 4.39Å; M569-L572 WeakPolarHBondContact O-CB 3.18Å; M569-L572 PolarHBondContact O-N 3.25Å; M569-L572 VanDerWaalsContact O-N 3.13Å; M569-L572 HydrophobicContact SD-CD1 4.47Å; Y570-L572 PolarHBondContact O-N 2.92Å; L572-E574 PolarHBondContact O-N 3.5Å; L572-Y575 HydrophobicContact CD1-CD1 4.11Å; L572-Y575 WeakPolarHBondContact O-CB 3.38Å; L572-Y575 PolarHBondContact O-N 2.96Å; L572-L576 HydrophobicContact CD1-CD1 4.18Å; L572-L576 HydrophobicContact CD1-CD2 4.2Å; L572-L576 HydrophobicContact CD1-CG 3.91Å; L572-L576 HydrophobicContact CD2-CD1 4.29Å; L572-L576 HydrophobicContact CG-CD1 3.8Å; L572-L576 HydrophobicContact CG-CG 4.01Å; L572-L576 WeakPolarHBondContact O-CB 3.46Å; L572-L576 VanDerWaalsContact O-CG 3.25Å; L572-L576 WeakPolarHBondContact O-CG 3.39Å; L572-L576 PolarHBondContact O-N 3.07Å; L572-V594 HydrophobicContact CD2-CG1 4.31Å; L572-A701 HydrophobicContact CD1-CB 3.57Å
573	Y	97.9	Very high	97.4	Very high	19 Å²	19	39.7 Å²	39.7	8%	0.075	19%	0.188	C	C	.	.	H	α-helix	trans	-56.8	-51.6	179.8	166.7	-111.7	0	0	0	112	Y465 D473 W495 E496 G571 Y575 L576 R577	Y465-Y573 PolarHBondContact OH-OH 3.38Å; D473-Y573 PolarHBondContact OD1-OH 2.98Å; W495-Y573 HydrophobicContact CH2-CD2 4.39Å; W495-Y573 AromaticContact CZ2-CD2 3.89Å; W495-Y573 HydrophobicContact CZ2-CD2 3.89Å; W495-Y573 HydrophobicContact CZ2-CG 4.47Å; E496-Y573 HydrophobicContact CB-CD1 4.35Å; G571-Y573 VanDerWaalsContact C-N 3.28Å; G571-Y573 PolarHBondContact O-N 3.12Å; Y573-Y575 VanDerWaalsContact C-N 3.32Å; Y573-Y575 PolarHBondContact O-N 2.85Å; Y573-L576 PolarHBondContact O-N 2.88Å; Y573-R577 HydrophobicContact CE2-CG 4.14Å; Y573-R577 PolarHBondContact O-N 2.77Å
574	E	97.2	Very high	97.4	Very high	75 Å²	75	41.7 Å²	41.7	35%	0.35	20%	0.199	S	C	.	.	H	α-helix	trans	-64.5	-35.5	177.4	-78	-60.6	131.6	0	0	112.9	G571 L572 R577 K578	G571-E574 PolarHBondContact O-N 3.34Å; L572-E574 PolarHBondContact O-N 3.5Å; E574-R577 IonicContact OE1-CZ 3.37Å; E574-R577 IonicContact OE1-NH1 2.86Å; E574-R577 PolarHBondContact OE1-NH1 3.37Å; E574-R577 IonicContact OE2-NH1 3.61Å; E574-K578 WeakPolarHBondContact O-CG 3.32Å; E574-K578 PolarHBondContact O-N 3.24Å
575	Y	98	Very high	97.3	Very high	48 Å²	48	41.6 Å²	41.6	19%	0.188	20%	0.199	C	C	.	.	H	α-helix	trans	-64.6	-41.2	173.9	177.5	-102.7	0	0	0	112.2	G571 L572 Y573 K578 S579 L698 P699 N700 A701	G571-Y575 PolarHBondContact O-N 3.48Å; G571-Y575 VanDerWaalsContact O-N 3.12Å; L572-Y575 HydrophobicContact CD1-CD1 4.11Å; L572-Y575 WeakPolarHBondContact O-CB 3.38Å; L572-Y575 PolarHBondContact O-N 2.96Å; Y573-Y575 VanDerWaalsContact C-N 3.32Å; Y573-Y575 PolarHBondContact O-N 2.85Å; Y575-K578 PolarHBondContact O-N 3.13Å; Y575-S579 WeakPolarHBondContact O-CB 3.47Å; Y575-S579 PolarHBondContact O-N 3.03Å; Y575-S579 PolarHBondContact O-OG 3.12Å; Y575-L698 HydrophobicContact CE1-CB 4.04Å; Y575-L698 HydrophobicContact CE1-CD1 3.95Å; Y575-L698 HydrophobicContact CE1-CG 4.42Å; Y575-P699 WeakPolarHBondContact OH-CD 3.36Å; Y575-N700 HydrophobicContact CE2-CB 4.07Å; Y575-A701 HydrophobicContact CD1-CB 3.99Å; Y575-A701 HydrophobicContact CE1-CB 3.67Å
576	L	98.4	Very high	97.2	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-67.4	-42.5	178.6	-69.4	175.3	0	0	0	112	V474 W495 F560 L572 Y573 K578 S579 V580 M592 V594 V662 L698	V474-L576 HydrophobicContact CG1-CD1 4.41Å; V474-L576 HydrophobicContact CG2-CB 4.07Å; W495-L576 HydrophobicContact CH2-CD1 3.6Å; W495-L576 HydrophobicContact CZ3-CD1 3.78Å; F560-L576 HydrophobicContact CD1-CD1 4.38Å; F560-L576 HydrophobicContact CG-CD1 4.44Å; L572-L576 HydrophobicContact CD1-CD1 4.18Å; L572-L576 HydrophobicContact CD1-CD2 4.2Å; L572-L576 HydrophobicContact CD1-CG 3.91Å; L572-L576 HydrophobicContact CD2-CD1 4.29Å; L572-L576 HydrophobicContact CG-CD1 3.8Å; L572-L576 HydrophobicContact CG-CG 4.01Å; L572-L576 WeakPolarHBondContact O-CB 3.46Å; L572-L576 VanDerWaalsContact O-CG 3.25Å; L572-L576 WeakPolarHBondContact O-CG 3.39Å; L572-L576 PolarHBondContact O-N 3.07Å; Y573-L576 PolarHBondContact O-N 2.88Å; L576-K578 VanDerWaalsContact C-N 3.3Å; L576-K578 PolarHBondContact O-N 2.96Å; L576-S579 WeakPolarHBondContact O-CB 3.39Å; L576-S579 PolarHBondContact O-N 2.98Å; L576-S579 VanDerWaalsContact O-N 3.07Å; L576-V580 WeakPolarHBondContact O-CG2 3.45Å; L576-V580 PolarHBondContact O-N 3.25Å; L576-M592 HydrophobicContact CD2-CE 4.1Å; L576-V594 HydrophobicContact CD2-CG2 4.25Å; L576-V662 HydrophobicContact CD1-CG2 3.78Å; L576-V662 HydrophobicContact CD2-CG2 3.75Å; L576-V662 HydrophobicContact CG-CG2 4.32Å; L576-L698 HydrophobicContact CD2-CD1 3.37Å
577	R	97.3	Very high	97.1	Very high	45 Å²	45	48.9 Å²	48.9	17%	0.17	25%	0.245	C	C	.	.	H	α-helix	trans	-54.6	-46.4	174.2	-70.9	-179.1	62.1	-164.1	6.2	112.2	D470 T472 D473 Y573 E574 S579 V580 I581	D470-R577 IonicContact OD1-NH2 2.61Å; D470-R577 PolarHBondContact OD1-NH2 3.03Å; D470-R577 IonicContact OD2-CZ 3.3Å; D470-R577 IonicContact OD2-NH2 3.28Å; D470-R577 PolarHBondContact OD2-NH2 2.94Å; T472-R577 PolarHBondContact OG1-NE 2.91Å; T472-R577 PolarHBondContact OG1-NH2 2.86Å; D473-R577 IonicContact OD1-NE 3.73Å; Y573-R577 HydrophobicContact CE2-CG 4.14Å; Y573-R577 PolarHBondContact O-N 2.77Å; E574-R577 IonicContact OE1-CZ 3.37Å; E574-R577 IonicContact OE1-NH1 2.86Å; E574-R577 PolarHBondContact OE1-NH1 3.37Å; E574-R577 IonicContact OE2-NH1 3.61Å; R577-S579 VanDerWaalsContact C-N 3.35Å; R577-S579 PolarHBondContact O-N 3.23Å; R577-V580 WeakPolarHBondContact O-CB 3.37Å; R577-V580 PolarHBondContact O-N 3.22Å; R577-I581 PolarHBondContact O-N 3.41Å
578	K	97.3	Very high	97	Very high	136 Å²	136	50.4 Å²	50.4	59%	0.591	25%	0.254	S	S	*	.	H	α-helix	trans	-64.7	-39.6	176.3	-67.9	172.5	-174.4	173.7	0	112.1	E574 Y575 L576 I581 Q582	E574-K578 WeakPolarHBondContact O-CG 3.32Å; E574-K578 PolarHBondContact O-N 3.24Å; Y575-K578 PolarHBondContact O-N 3.13Å; L576-K578 VanDerWaalsContact C-N 3.3Å; L576-K578 PolarHBondContact O-N 2.96Å; K578-I581 PolarHBondContact O-N 3.07Å; K578-Q582 WeakPolarHBondContact O-CB 3.43Å; K578-Q582 PolarHBondContact O-N 3.01Å
579	S	98	Very high	96.9	Very high	1 Å²	1	54.6 Å²	54.6	1%	0.007	27%	0.272	C	S	.	.	H	α-helix	trans	-67.5	-37.9	179.7	-58.2	0	0	0	0	112.3	Y575 L576 R577 I581 Q582 L583	Y575-S579 WeakPolarHBondContact O-CB 3.47Å; Y575-S579 PolarHBondContact O-N 3.03Å; Y575-S579 PolarHBondContact O-OG 3.12Å; L576-S579 WeakPolarHBondContact O-CB 3.39Å; L576-S579 PolarHBondContact O-N 2.98Å; L576-S579 VanDerWaalsContact O-N 3.07Å; R577-S579 VanDerWaalsContact C-N 3.35Å; R577-S579 PolarHBondContact O-N 3.23Å; S579-I581 VanDerWaalsContact C-N 3.31Å; S579-I581 PolarHBondContact O-N 3.47Å; S579-Q582 PolarHBondContact O-N 2.85Å; S579-L583 WeakPolarHBondContact O-CB 3.42Å; S579-L583 PolarHBondContact O-N 3.25Å
580	V	97.6	Very high	96.9	Very high	4 Å²	4	54.6 Å²	54.6	2%	0.024	27%	0.271	C	S	.	.	H	α-helix	trans	-54.9	-46.9	173.8	162.8	0	0	0	0	110.9	V474 Y558 L576 R577 D584 L585 M592	V474-V580 HydrophobicContact CG2-CG2 4.14Å; Y558-V580 HydrophobicContact CD1-CG1 4.38Å; Y558-V580 HydrophobicContact CD1-CG2 4.42Å; Y558-V580 HydrophobicContact CD2-CG1 3.7Å; Y558-V580 HydrophobicContact CD2-CG2 4.1Å; Y558-V580 HydrophobicContact CE1-CG1 3.99Å; Y558-V580 HydrophobicContact CE2-CB 4.48Å; Y558-V580 HydrophobicContact CE2-CG1 3.24Å; Y558-V580 HydrophobicContact CE2-CG2 4.47Å; Y558-V580 HydrophobicContact CG-CG1 4.25Å; Y558-V580 HydrophobicContact CG-CG2 4.09Å; L576-V580 WeakPolarHBondContact O-CG2 3.45Å; L576-V580 PolarHBondContact O-N 3.25Å; R577-V580 WeakPolarHBondContact O-CB 3.37Å; R577-V580 PolarHBondContact O-N 3.22Å; V580-D584 PolarHBondContact O-N 3.01Å; V580-L585 HydrophobicContact CG1-CB 4.16Å; V580-L585 HydrophobicContact CG2-CD2 4.07Å; V580-L585 PolarHBondContact O-N 3.41Å; V580-L585 VanDerWaalsContact O-N 3.13Å; V580-M592 HydrophobicContact CG2-CE 3.72Å
581	I	96.2	Very high	97	Very high	108 Å²	108	49.3 Å²	49.3	55%	0.554	25%	0.25	S	S	*	.	H	α-helix	trans	-67.6	-50.8	177.5	-60.3	164.8	0	0	0	110.4	T472 R577 K578 S579 L583 D584	T472-I581 HydrophobicContact CG2-CD1 3.52Å; T472-I581 HydrophobicContact CG2-CG1 3.52Å; R577-I581 PolarHBondContact O-N 3.41Å; K578-I581 PolarHBondContact O-N 3.07Å; S579-I581 VanDerWaalsContact C-N 3.31Å; S579-I581 PolarHBondContact O-N 3.47Å; I581-L583 PolarHBondContact O-N 3.26Å; I581-D584 PolarHBondContact O-N 3.37Å; I581-D584 VanDerWaalsContact O-N 3.11Å
582	Q	96.7	Very high	97	Very high	129 Å²	129	48 Å²	48	60%	0.603	24%	0.237	S	C	*	.	H	α-helix	trans	-57.8	-37	-176.4	-178.6	-177.8	3.2	0	0	112.5	K578 S579	K578-Q582 WeakPolarHBondContact O-CB 3.43Å; K578-Q582 PolarHBondContact O-N 3.01Å; S579-Q582 PolarHBondContact O-N 2.85Å
583	L	97.2	Very high	97	Very high	27 Å²	27	48 Å²	48	14%	0.141	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.8	2.8	-177.1	-66.8	173.3	0	0	0	113.2	S579 I581 L585 K590 M592 P648 I696 L698	S579-L583 WeakPolarHBondContact O-CB 3.42Å; S579-L583 PolarHBondContact O-N 3.25Å; I581-L583 PolarHBondContact O-N 3.26Å; L583-L585 VanDerWaalsContact C-N 3.35Å; L583-L585 HydrophobicContact CB-CD1 3.52Å; L583-L585 PolarHBondContact O-N 2.96Å; L583-K590 HydrophobicContact CB-CD 4.3Å; L583-K590 WeakPolarHBondContact O-CD 3.46Å; L583-K590 PolarHBondContact O-NZ 2.86Å; L583-M592 HydrophobicContact CD1-CG 3.9Å; L583-M592 HydrophobicContact CD1-SD 3.66Å; L583-P648 HydrophobicContact CD1-CB 4.33Å; L583-P648 HydrophobicContact CD1-CG 4.43Å; L583-P648 HydrophobicContact CD2-CB 4.09Å; L583-P648 HydrophobicContact CD2-CG 4.22Å; L583-I696 HydrophobicContact CD1-CG2 3.9Å; L583-I696 HydrophobicContact CD2-CG2 4.31Å; L583-L698 HydrophobicContact CD1-CD2 3.97Å
584	D	96.2	Very high	97.1	Very high	68 Å²	68	47.1 Å²	47.1	36%	0.364	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.9	47.1	178	-171.8	26.8	0	0	0	113.2	V580 I581 A586 N587 T588	V580-D584 PolarHBondContact O-N 3.01Å; I581-D584 PolarHBondContact O-N 3.37Å; I581-D584 VanDerWaalsContact O-N 3.11Å; D584-A586 PolarHBondContact O-N 2.96Å; D584-A586 VanDerWaalsContact O-N 3.14Å; D584-N587 PolarHBondContact O-N 2.86Å; D584-N587 PolarHBondContact OD1-ND2 2.94Å; D584-T588 PolarHBondContact O-N 3.39Å; D584-T588 VanDerWaalsContact O-N 3.13Å; D584-T588 PolarHBondContact O-OG1 2.83Å
585	L	96.2	Very high	97.1	Very high	2 Å²	2	43.5 Å²	43.5	1%	0.01	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-13.6	178.9	-97.9	69.2	0	0	0	113.1	Y558 V580 L583 K590 M592	Y558-L585 HydrophobicContact CD1-CB 4.39Å; Y558-L585 HydrophobicContact CD1-CD2 4.28Å; Y558-L585 HydrophobicContact CE1-CB 3.7Å; Y558-L585 HydrophobicContact CE1-CD2 4.4Å; V580-L585 HydrophobicContact CG1-CB 4.16Å; V580-L585 HydrophobicContact CG2-CD2 4.07Å; V580-L585 PolarHBondContact O-N 3.41Å; V580-L585 VanDerWaalsContact O-N 3.13Å; L583-L585 VanDerWaalsContact C-N 3.35Å; L583-L585 HydrophobicContact CB-CD1 3.52Å; L583-L585 PolarHBondContact O-N 2.96Å; L585-K590 HydrophobicContact CD1-CB 3.9Å; L585-K590 HydrophobicContact CD1-CD 4.32Å; L585-K590 HydrophobicContact CG-CB 4.2Å; L585-M592 HydrophobicContact CD1-CG 3.91Å; L585-M592 HydrophobicContact CD1-SD 3.93Å; L585-M592 HydrophobicContact CD2-CE 3.82Å; L585-M592 HydrophobicContact CD2-CG 3.9Å; L585-M592 HydrophobicContact CD2-SD 3.96Å
586	A	94	Very high	97.1	Very high	47 Å²	47	41.3 Å²	41.3	39%	0.388	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-42.4	174.4	0	0	0	0	0	111.6	Y558 D584 R664	Y558-A586 WeakPolarHBondContact OH-CA 3.2Å; Y558-A586 PolarHBondContact OH-N 2.83Å; D584-A586 PolarHBondContact O-N 2.96Å; D584-A586 VanDerWaalsContact O-N 3.14Å; A586-R664 PolarHBondContact O-NH1 3.19Å
587	N	94.5	Very high	97.1	Very high	129 Å²	129	41.4 Å²	41.4	69%	0.69	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	-108.3	-5.5	-172.1	-57	-61.6	0	0	0	113.9	D584	D584-N587 PolarHBondContact O-N 2.86Å; D584-N587 PolarHBondContact OD1-ND2 2.94Å
588	T	95.7	Very high	97	Very high	45 Å²	45	39.7 Å²	39.7	28%	0.276	20%	0.203	S	C	.	.	S	Bend	trans	-129	144.3	-176.6	62.2	0	0	0	0	112.2	D584 K590	D584-T588 PolarHBondContact O-N 3.39Å; D584-T588 VanDerWaalsContact O-N 3.13Å; D584-T588 PolarHBondContact O-OG1 2.83Å; T588-K590 PolarHBondContact O-N 3.16Å; T588-K590 VanDerWaalsContact O-N 3.07Å; T588-K590 PolarHBondContact OG1-NZ 2.98Å
589	K	95.9	Very high	97	Very high	92 Å²	92	33.3 Å²	33.3	40%	0.4	18%	0.175	S	C	.	.			trans	-78.2	90.5	173.8	-72.3	-176.4	173.9	178.3	0	109.7	Q691 Y693 E694	K589-Q691 WeakPolarHBondContact CD-O 3.44Å; K589-Q691 PolarHBondContact NZ-O 3.46Å; K589-Y693 HydrophobicContact CB-CD1 4.06Å; K589-Y693 HydrophobicContact CB-CD2 4.19Å; K589-Y693 HydrophobicContact CB-CE1 4.19Å; K589-Y693 HydrophobicContact CB-CE2 4.33Å; K589-Y693 HydrophobicContact CB-CG 4.07Å; K589-Y693 HydrophobicContact CD-CD2 4.2Å; K589-Y693 HydrophobicContact CD-CE2 4.02Å; K589-Y693 HydrophobicContact CG-CE2 4.22Å; K589-Y693 WeakPolarHBondContact O-CA 3.45Å; K589-E694 PolarHBondContact O-N 3.37Å
590	K	97.9	Very high	96.6	Very high	32 Å²	32	38.1 Å²	38.1	14%	0.139	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	138.5	176.7	-62.7	-171.6	177.3	100.3	0	110.6	L583 L585 T588 E694 I696	L583-K590 HydrophobicContact CB-CD 4.3Å; L583-K590 WeakPolarHBondContact O-CD 3.46Å; L583-K590 PolarHBondContact O-NZ 2.86Å; L585-K590 HydrophobicContact CD1-CB 3.9Å; L585-K590 HydrophobicContact CD1-CD 4.32Å; L585-K590 HydrophobicContact CG-CB 4.2Å; T588-K590 PolarHBondContact O-N 3.16Å; T588-K590 VanDerWaalsContact O-N 3.07Å; T588-K590 PolarHBondContact OG1-NZ 2.98Å; K590-E694 WeakPolarHBondContact CA-O 3.36Å; K590-E694 VanDerWaalsContact CE-OE2 3.26Å; K590-E694 WeakPolarHBondContact CE-OE2 3.42Å; K590-E694 HydrophobicContact CG-CB 4.28Å; K590-I696 HydrophobicContact CB-CG1 4.49Å; K590-I696 HydrophobicContact CD-CG1 4.12Å; K590-I696 HydrophobicContact CG-CG1 4.48Å
591	A	98.4	Very high	96.3	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	107.5	169	0	0	0	0	0	108.1	I593 V661 V663 L688 Y693 E694 F695 I696	A591-I593 PolarHBondContact O-N 3.02Å; A591-V661 HydrophobicContact CB-CB 4.22Å; A591-V661 HydrophobicContact CB-CG1 4.2Å; A591-V663 HydrophobicContact CB-CG1 3.72Å; A591-L688 HydrophobicContact CB-CD1 4.46Å; A591-Y693 HydrophobicContact CB-CD1 4.35Å; A591-E694 PolarHBondContact N-O 3.46Å; A591-F695 HydrophobicContact CB-CD1 3.97Å; A591-F695 HydrophobicContact CB-CE1 4.16Å; A591-I696 PolarHBondContact O-N 3.17Å
592	M	98.7	Very high	95.8	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	117.7	178.7	-56.3	-173.9	-59.5	0	0	109.6	L576 V580 L583 L585 V661 V662 I696 L698	L576-M592 HydrophobicContact CD2-CE 4.1Å; V580-M592 HydrophobicContact CG2-CE 3.72Å; L583-M592 HydrophobicContact CD1-CG 3.9Å; L583-M592 HydrophobicContact CD1-SD 3.66Å; L585-M592 HydrophobicContact CD1-CG 3.91Å; L585-M592 HydrophobicContact CD1-SD 3.93Å; L585-M592 HydrophobicContact CD2-CE 3.82Å; L585-M592 HydrophobicContact CD2-CG 3.9Å; L585-M592 HydrophobicContact CD2-SD 3.96Å; M592-V661 CarbonylContact O-C 3.58Å; M592-V661 VanDerWaalsContact O-CA 3.25Å; M592-V661 WeakPolarHBondContact O-CA 3.37Å; M592-V662 HydrophobicContact CB-CB 4.2Å; M592-V662 HydrophobicContact CE-CB 3.66Å; M592-V662 HydrophobicContact CE-CG1 3.62Å; M592-V662 HydrophobicContact CE-CG2 4.25Å; M592-V662 PolarHBondContact N-O 3.21Å; M592-V662 PolarHBondContact O-N 3.43Å; M592-I696 CarbonylContact C-O 3.59Å; M592-I696 VanDerWaalsContact CA-O 3.31Å; M592-I696 WeakPolarHBondContact CA-O 3.32Å; M592-L698 HydrophobicContact CB-CD1 3.97Å; M592-L698 HydrophobicContact CB-CD2 4.17Å; M592-L698 HydrophobicContact CB-CG 4.02Å; M592-L698 HydrophobicContact CG-CD2 4.34Å; M592-L698 HydrophobicContact SD-CD1 4.36Å; M592-L698 HydrophobicContact SD-CD2 4Å
593	I	98.7	Very high	95.3	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	128.5	179.5	-64	164.2	0	0	0	109.5	A591 P595 T637 V651 F657 P659 Y660 V661 F695 I696 V697 L698	A591-I593 PolarHBondContact O-N 3.02Å; I593-P595 WeakPolarHBondContact O-CD 3.45Å; I593-T637 HydrophobicContact CG2-CG2 4.39Å; I593-V651 HydrophobicContact CD1-CG2 3.73Å; I593-F657 HydrophobicContact CD1-CE1 4.04Å; I593-F657 HydrophobicContact CD1-CZ 3.79Å; I593-P659 HydrophobicContact CB-CB 4.47Å; I593-P659 HydrophobicContact CD1-CB 4.19Å; I593-P659 HydrophobicContact CD1-CG 4.34Å; I593-P659 HydrophobicContact CG1-CB 3.89Å; I593-P659 HydrophobicContact CG1-CG 4.21Å; I593-P659 HydrophobicContact CG2-CB 3.86Å; I593-Y660 WeakPolarHBondContact CA-O 3.38Å; I593-V661 HydrophobicContact CG1-CG1 3.93Å; I593-F695 HydrophobicContact CD1-CB 3.75Å; I593-F695 HydrophobicContact CD1-CD1 4.37Å; I593-F695 HydrophobicContact CD1-CG 4.47Å; I593-I696 PolarHBondContact N-O 3.44Å; I593-V697 HydrophobicContact CB-CG2 4.14Å; I593-V697 HydrophobicContact CD1-CG2 3.94Å; I593-V697 HydrophobicContact CG2-CG2 4.34Å; I593-L698 PolarHBondContact O-N 2.69Å
594	V	98.6	Very high	94.9	Very high	1 Å²	1	53.7 Å²	53.7	1%	0.006	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	110.8	165.8	178.5	0	0	0	0	108.1	F560 L572 L576 A596 Y660 V662 L698 A701 M703	F560-V594 HydrophobicContact CD2-CG2 4.39Å; F560-V594 HydrophobicContact CE2-CB 3.89Å; F560-V594 HydrophobicContact CE2-CG2 3.71Å; F560-V594 HydrophobicContact CZ-CB 3.92Å; F560-V594 HydrophobicContact CZ-CG1 4.04Å; F560-V594 HydrophobicContact CZ-CG2 3.89Å; L572-V594 HydrophobicContact CD2-CG1 4.31Å; L576-V594 HydrophobicContact CD2-CG2 4.25Å; V594-A596 PolarHBondContact O-N 3.08Å; V594-Y660 PolarHBondContact N-O 3.16Å; V594-V662 HydrophobicContact CG2-CG2 4.37Å; V594-L698 HydrophobicContact CG2-CD1 4.38Å; V594-A701 HydrophobicContact CG1-CB 4.14Å; V594-A701 HydrophobicContact CG2-CB 4.29Å; V594-M703 HydrophobicContact CB-SD 4.22Å; V594-M703 HydrophobicContact CG1-CB 4.21Å; V594-M703 HydrophobicContact CG1-CG 4.03Å; V594-M703 HydrophobicContact CG1-SD 3.83Å
595	P	98.4	Very high	94.8	Very high	0 Å²	0	54.8 Å²	54.8	0%	0	26%	0.261	C	S	.	.			trans	-59.4	132.6	180	-31.5	41.1	0	0	0	113.3	I593 F597 T637 F639 W642 V697 A701 Y702 M703	I593-P595 WeakPolarHBondContact O-CD 3.45Å; P595-F597 HydrophobicContact CB-CE2 3.97Å; P595-F597 HydrophobicContact CB-CZ 4.28Å; P595-T637 HydrophobicContact CB-CG2 4.21Å; P595-T637 HydrophobicContact CG-CG2 4.03Å; P595-F639 HydrophobicContact CB-CE1 4.12Å; P595-W642 HydrophobicContact CG-CG 4.26Å; P595-V697 HydrophobicContact CG-CG1 3.6Å; P595-A701 WeakPolarHBondContact CD-O 3.47Å; P595-Y702 WeakPolarHBondContact O-CA 3.25Å; P595-M703 PolarHBondContact O-N 3.03Å
596	A	97.8	Very high	94.7	Very high	2 Å²	2	55.8 Å²	55.8	2%	0.017	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	133.5	-178.6	0	0	0	0	0	112.2	F566 V594 F625 Y660 M703	F566-A596 HydrophobicContact CE1-CB 3.74Å; F566-A596 HydrophobicContact CZ-CB 4.24Å; V594-A596 PolarHBondContact O-N 3.08Å; A596-F625 HydrophobicContact CB-CB 3.81Å; A596-F625 HydrophobicContact CB-CD1 4.17Å; A596-F625 HydrophobicContact CB-CG 4.27Å; A596-F625 WeakPolarHBondContact O-CB 3.42Å; A596-F625 PolarHBondContact O-N 3.32Å; A596-F625 VanDerWaalsContact O-N 3.15Å; A596-Y660 HydrophobicContact CB-CD2 3.65Å; A596-Y660 HydrophobicContact CB-CE2 3.66Å; A596-M703 HydrophobicContact CB-CG 4.15Å
597	F	97.7	Very high	94.9	Very high	1 Å²	1	53.5 Å²	53.5	0%	0.004	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	166.8	174.4	-59.5	-83.4	0	0	0	109.6	P595 L613 L617 F623 T624 F639 W642 M703 I704 H705	P595-F597 HydrophobicContact CB-CE2 3.97Å; P595-F597 HydrophobicContact CB-CZ 4.28Å; F597-L613 HydrophobicContact CD1-CD2 4.48Å; F597-L613 HydrophobicContact CD2-CD1 3.86Å; F597-L613 HydrophobicContact CD2-CD2 4.44Å; F597-L613 HydrophobicContact CE1-CD2 4.16Å; F597-L613 HydrophobicContact CE2-CD1 4.05Å; F597-L613 HydrophobicContact CE2-CD2 4.12Å; F597-L613 HydrophobicContact CG-CD1 4.36Å; F597-L613 HydrophobicContact CZ-CD2 3.97Å; F597-L617 HydrophobicContact CD1-CD1 4.27Å; F597-L617 HydrophobicContact CD1-CD2 3.89Å; F597-L617 HydrophobicContact CE1-CD1 3.82Å; F597-L617 HydrophobicContact CE1-CD2 4.22Å; F597-F623 CarbonylContact C-O 3.51Å; F597-F623 VanDerWaalsContact CA-O 3.24Å; F597-F623 WeakPolarHBondContact CA-O 3.19Å; F597-F623 WeakPolarHBondContact CB-O 3.45Å; F597-T624 HydrophobicContact CE1-CG2 4.41Å; F597-F639 AromaticContact CE1-CD1 3.93Å; F597-F639 HydrophobicContact CE1-CD1 3.93Å; F597-F639 HydrophobicContact CE1-CE1 4.1Å; F597-F639 HydrophobicContact CZ-CD1 4.06Å; F597-F639 HydrophobicContact CZ-CE1 4.18Å; F597-W642 HydrophobicContact CE1-CZ3 4.43Å; F597-W642 AromaticContact CE2-CH2 3.96Å; F597-W642 HydrophobicContact CE2-CH2 3.96Å; F597-W642 HydrophobicContact CE2-CZ2 4.36Å; F597-W642 HydrophobicContact CE2-CZ3 4.12Å; F597-W642 HydrophobicContact CZ-CD2 4.38Å; F597-W642 AromaticContact CZ-CE3 3.81Å; F597-W642 HydrophobicContact CZ-CE3 3.81Å; F597-W642 AromaticContact CZ-CH2 3.86Å; F597-W642 HydrophobicContact CZ-CH2 3.86Å; F597-W642 HydrophobicContact CZ-CZ2 4.44Å; F597-W642 AromaticContact CZ-CZ3 3.52Å; F597-W642 HydrophobicContact CZ-CZ3 3.52Å; F597-M703 PolarHBondContact N-O 3.07Å; F597-I704 HydrophobicContact CB-CG1 4.4Å; F597-I704 WeakPolarHBondContact O-CA 3.34Å; F597-H705 WeakPolarHBondContact O-CB 3.39Å; F597-H705 PolarHBondContact O-N 2.85Å
598	E	96.5	Very high	94.8	Very high	9 Å²	9	55.5 Å²	55.5	4%	0.042	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	150.4	173.1	64.3	-172.5	162.5	0	0	111.9	L622 F623 F625 R626 Y627 H628 H705	E598-L622 WeakPolarHBondContact O-CA 3.49Å; E598-F623 HydrophobicContact CG-CB 4.11Å; E598-F623 PolarHBondContact N-O 3.21Å; E598-F623 PolarHBondContact O-N 2.9Å; E598-F625 HydrophobicContact CB-CD2 4.04Å; E598-R626 VanDerWaalsContact CD-N 3.27Å; E598-R626 VanDerWaalsContact OE1-CA 3.32Å; E598-R626 WeakPolarHBondContact OE1-CA 3.17Å; E598-R626 PolarHBondContact OE1-N 2.8Å; E598-R626 PolarHBondContact OE2-N 3.21Å; E598-Y627 VanDerWaalsContact OE1-CD1 3.25Å; E598-Y627 WeakPolarHBondContact OE1-CD1 3.31Å; E598-Y627 PolarHBondContact OE1-N 2.9Å; E598-H628 IonicContact OE1-CE1 3.9Å; E598-H628 IonicContact OE1-ND1 2.94Å; E598-H628 PolarHBondContact OE1-ND1 3.09Å; E598-H705 HydrophobicContact CB-CB 3.94Å
599	T	95.2	Very high	94.8	Very high	3 Å²	3	55.8 Å²	55.8	2%	0.018	25%	0.253	C	S	.	.			trans	-111.8	150.2	163.7	-167.9	0	0	0	0	109.6	R601 L604 T621 I704 H705 M706 P707	T599-R601 VanDerWaalsContact CG2-O 3.3Å; T599-R601 WeakPolarHBondContact CG2-O 3.39Å; T599-R601 PolarHBondContact OG1-N 2.94Å; T599-L604 HydrophobicContact CG2-CB 4.46Å; T599-L604 HydrophobicContact CG2-CD1 4.47Å; T599-L604 HydrophobicContact CG2-CD2 4.16Å; T599-T621 PolarHBondContact OG1-O 3.2Å; T599-I704 HydrophobicContact CG2-CG2 4.42Å; T599-H705 PolarHBondContact N-O 3.03Å; T599-M706 HydrophobicContact CG2-CE 4.35Å; T599-M706 HydrophobicContact CG2-SD 4.24Å; T599-P707 HydrophobicContact CG2-CG 4.28Å; T599-P707 WeakPolarHBondContact O-CG 3.42Å
600	L	91.2	Very high	94.8	Very high	101 Å²	101	52.9 Å²	52.9	53%	0.529	24%	0.24	S	C	.	.	S	Bend	trans	-93.3	-2	168	-56.8	179.8	0	0	0	111.8	F623	L600-F623 HydrophobicContact CD1-CD2 4.46Å; L600-F623 HydrophobicContact CD1-CE2 3.89Å; L600-F623 HydrophobicContact CG-CD2 4.26Å; L600-F623 HydrophobicContact CG-CE2 3.99Å
601	R	90.3	Very high	94.8	Very high	141 Å²	141	54.7 Å²	54.7	53%	0.532	26%	0.261	S	S	.	.			trans	-96.8	126.4	-176.4	-59.5	-178.8	178.3	-173.6	-1.5	110.4	T599 R603	T599-R601 VanDerWaalsContact CG2-O 3.3Å; T599-R601 WeakPolarHBondContact CG2-O 3.39Å; T599-R601 PolarHBondContact OG1-N 2.94Å; R601-R603 PolarHBondContact O-N 3.23Å
602	Y	86.2	Confident	94.7	Very high	187 Å²	187	57.9 Å²	57.9	73%	0.733	28%	0.276	S	S	*	.	S	Bend	trans	-65.1	-24.5	175	-67.1	-77.2	0	0	0	113.6	P707	Y602-P707 HydrophobicContact CD1-CB 3.95Å; Y602-P707 HydrophobicContact CD1-CG 4.41Å; Y602-P707 HydrophobicContact CE1-CB 3.76Å
603	R	86.2	Confident	94.7	Very high	233 Å²	233	57.9 Å²	57.9	88%	0.879	28%	0.276	S	S	*	.	S	Bend	trans	-116.3	117.6	172.9	-66.6	-176.4	-179	171.9	0.3	108.4	R601	R601-R603 PolarHBondContact O-N 3.23Å
604	L	89.3	Confident	94.6	Very high	34 Å²	34	59.4 Å²	59.4	18%	0.178	28%	0.284	C	S	.	.			trans	-119.3	127.7	179.2	-174.1	67.7	0	0	0	108.5	T599 F606 M616 L622 I704 M706	T599-L604 HydrophobicContact CG2-CB 4.46Å; T599-L604 HydrophobicContact CG2-CD1 4.47Å; T599-L604 HydrophobicContact CG2-CD2 4.16Å; L604-F606 HydrophobicContact CD2-CD2 4.21Å; L604-F606 PolarHBondContact O-N 3.3Å; L604-F606 VanDerWaalsContact O-N 3.16Å; L604-M616 HydrophobicContact CD1-CE 3.44Å; L604-M616 VanDerWaalsContact CD1-CE 3.44Å; L604-M616 HydrophobicContact CG-CE 4.37Å; L604-L622 HydrophobicContact CD1-CD2 4.09Å; L604-L622 HydrophobicContact CD2-CD2 4.22Å; L604-I704 HydrophobicContact CD2-CD1 3.97Å; L604-I704 HydrophobicContact CD2-CG2 3.87Å; L604-M706 HydrophobicContact CB-CE 4.22Å; L604-M706 HydrophobicContact CD2-SD 4.41Å
605	S	92.8	Very high	94.5	Very high	92 Å²	92	62.1 Å²	62.1	64%	0.643	30%	0.304	S	S	*	.			trans	-72.4	102.3	157.9	-178.2	0	0	0	0	106.2
606	F	95.7	Very high	94.5	Very high	22 Å²	22	63 Å²	63	10%	0.096	31%	0.308	C	S	.	.			trans	-64.9	128.9	-172.3	-163.3	-82.6	0	0	0	110.1	H494 L567 P568 Y570 L604 K608 Y702 I704	H494-F606 AromaticContact CE1-CD1 3.74Å; H494-F606 AromaticContact CE1-CD2 3.55Å; H494-F606 AromaticContact CE1-CE1 3.98Å; H494-F606 AromaticContact CE1-CE2 3.77Å; H494-F606 AromaticContact CE1-CG 3.53Å; H494-F606 AromaticContact CE1-CZ 3.98Å; H494-F606 AromaticContact ND1-CZ 3.94Å; L567-F606 HydrophobicContact CB-CD2 4.28Å; L567-F606 HydrophobicContact CB-CE2 3.58Å; L567-F606 HydrophobicContact CB-CZ 4.3Å; L567-F606 HydrophobicContact CD1-CD2 4.32Å; L567-F606 HydrophobicContact CD1-CE2 4.42Å; P568-F606 WeakPolarHBondContact O-CZ 3.09Å; Y570-F606 HydrophobicContact CD2-CD1 4.25Å; Y570-F606 AromaticContact CE2-CD1 3.99Å; Y570-F606 HydrophobicContact CE2-CD1 3.99Å; L604-F606 HydrophobicContact CD2-CD2 4.21Å; L604-F606 PolarHBondContact O-N 3.3Å; L604-F606 VanDerWaalsContact O-N 3.16Å; F606-K608 PolarHBondContact O-N 2.84Å; F606-Y702 HydrophobicContact CE1-CE2 4.07Å; F606-Y702 HydrophobicContact CZ-CE2 4.35Å; F606-I704 HydrophobicContact CD2-CD1 4.22Å; F606-I704 HydrophobicContact CE1-CD1 4.46Å; F606-I704 HydrophobicContact CE2-CB 3.98Å; F606-I704 HydrophobicContact CE2-CD1 3.74Å; F606-I704 HydrophobicContact CE2-CG1 4.09Å; F606-I704 HydrophobicContact CZ-CB 4.48Å; F606-I704 HydrophobicContact CZ-CD1 3.89Å; F606-I704 HydrophobicContact CZ-CG1 4.19Å
607	P	96.6	Very high	94.3	Very high	0 Å²	0	64.4 Å²	64.4	0%	0	32%	0.315	C	S	.	.			trans	-63.7	138	-176.5	24.6	-32.7	0	0	0	111	E612 L613 M616 L622 Y702 I704	P607-E612 HydrophobicContact CB-CB 4.1Å; P607-E612 HydrophobicContact CB-CG 4.05Å; P607-L613 HydrophobicContact CB-CB 4.06Å; P607-L613 HydrophobicContact CG-CB 4.12Å; P607-L613 HydrophobicContact CG-CD1 4.37Å; P607-M616 HydrophobicContact CB-SD 3.87Å; P607-M616 HydrophobicContact CG-SD 4.16Å; P607-L622 HydrophobicContact CG-CD1 4.41Å; P607-Y702 HydrophobicContact CG-CE2 3.93Å; P607-Y702 PolarHBondContact O-OH 2.88Å; P607-I704 HydrophobicContact CG-CD1 3.55Å
608	K	93.9	Very high	94.2	Very high	171 Å²	171	69.6 Å²	69.6	74%	0.743	34%	0.343	S	S	*	.	S	Bend	trans	-89.3	-13.5	-179.1	-60	178.3	-177.4	177.2	0	112.7	F606 E612	F606-K608 PolarHBondContact O-N 2.84Å; K608-E612 WeakPolarHBondContact CB-OE2 3.23Å; K608-E612 PolarHBondContact N-OE2 2.78Å
609	S	95.3	Very high	94.2	Very high	51 Å²	51	75 Å²	75	36%	0.357	37%	0.369	S	S	.	.	S	Bend	trans	-152.5	161.7	-176.1	69.3	0	0	0	0	111.8	A611 E612 L613	S609-A611 PolarHBondContact O-N 2.87Å; S609-E612 PolarHBondContact O-N 3.48Å; S609-E612 PolarHBondContact OG-N 3.43Å; S609-L613 PolarHBondContact O-N 2.89Å
610	K	96.4	Very high	94	Very high	30 Å²	30	76.6 Å²	76.6	13%	0.13	39%	0.387	C	S	.	.	H	α-helix	trans	-55.2	-40	171.3	-179.9	174.7	-179.8	175.6	0	111.8	E612 L613 L614 W642 A645 P699	K610-E612 PolarHBondContact O-N 2.94Å; K610-L613 PolarHBondContact O-N 3.35Å; K610-L614 HydrophobicContact CG-CD1 4.22Å; K610-L614 HydrophobicContact CG-CG 4.37Å; K610-L614 VanDerWaalsContact O-CG 3.26Å; K610-L614 WeakPolarHBondContact O-CG 2.96Å; K610-L614 PolarHBondContact O-N 2.99Å; K610-W642 HydrophobicContact CD-CH2 4.16Å; K610-W642 HydrophobicContact CD-CZ2 4.19Å; K610-W642 WeakPolarHBondContact CE-O 3.25Å; K610-W642 HydrophobicContact CG-CH2 3.84Å; K610-W642 HydrophobicContact CG-CZ2 4.31Å; K610-W642 HydrophobicContact CG-CZ3 4.32Å; K610-W642 PolarHBondContact NZ-O 3.44Å; K610-A645 PolarHBondContact NZ-O 2.65Å; K610-P699 WeakPolarHBondContact CD-O 3.48Å; K610-P699 WeakPolarHBondContact CE-O 3.31Å; K610-P699 PolarHBondContact NZ-O 2.8Å
611	A	96.5	Very high	94.1	Very high	70 Å²	70	72.4 Å²	72.4	58%	0.579	37%	0.366	S	S	*	.	H	α-helix	trans	-62.5	-42.4	179	0	0	0	0	0	112.3	S609 L614 S615	S609-A611 PolarHBondContact O-N 2.87Å; A611-L614 PolarHBondContact O-N 3.48Å; A611-S615 PolarHBondContact O-N 3.35Å
612	E	97	Very high	94.3	Very high	67 Å²	67	65.8 Å²	65.8	31%	0.313	34%	0.341	S	S	.	.	H	α-helix	trans	-66.3	-42.6	175.5	-170.1	176.3	178.9	0	0	111.3	P607 K608 S609 K610 L614 S615 M616	P607-E612 HydrophobicContact CB-CB 4.1Å; P607-E612 HydrophobicContact CB-CG 4.05Å; K608-E612 WeakPolarHBondContact CB-OE2 3.23Å; K608-E612 PolarHBondContact N-OE2 2.78Å; S609-E612 PolarHBondContact O-N 3.48Å; S609-E612 PolarHBondContact OG-N 3.43Å; K610-E612 PolarHBondContact O-N 2.94Å; E612-L614 VanDerWaalsContact C-N 3.33Å; E612-L614 PolarHBondContact O-N 3.48Å; E612-S615 WeakPolarHBondContact O-CB 3.25Å; E612-S615 PolarHBondContact O-N 3.23Å; E612-M616 HydrophobicContact CG-SD 4.47Å; E612-M616 VanDerWaalsContact O-CG 3.28Å; E612-M616 WeakPolarHBondContact O-CG 3.46Å; E612-M616 PolarHBondContact O-N 3.11Å
613	L	97.5	Very high	94.7	Very high	0 Å²	0	59.4 Å²	59.4	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-59	-43.1	174.1	-179	150.2	0	0	0	111.9	F597 P607 S609 K610 M616 L617 L622 W642 Y702	F597-L613 HydrophobicContact CD1-CD2 4.48Å; F597-L613 HydrophobicContact CD2-CD1 3.86Å; F597-L613 HydrophobicContact CD2-CD2 4.44Å; F597-L613 HydrophobicContact CE1-CD2 4.16Å; F597-L613 HydrophobicContact CE2-CD1 4.05Å; F597-L613 HydrophobicContact CE2-CD2 4.12Å; F597-L613 HydrophobicContact CG-CD1 4.36Å; F597-L613 HydrophobicContact CZ-CD2 3.97Å; P607-L613 HydrophobicContact CB-CB 4.06Å; P607-L613 HydrophobicContact CG-CB 4.12Å; P607-L613 HydrophobicContact CG-CD1 4.37Å; S609-L613 PolarHBondContact O-N 2.89Å; K610-L613 PolarHBondContact O-N 3.35Å; L613-M616 WeakPolarHBondContact O-CB 3.32Å; L613-M616 PolarHBondContact O-N 2.95Å; L613-L617 HydrophobicContact CD2-CD1 3.56Å; L613-L617 HydrophobicContact CD2-CG 4.07Å; L613-L617 WeakPolarHBondContact O-CG 3.27Å; L613-L617 PolarHBondContact O-N 3.31Å; L613-L622 HydrophobicContact CD1-CD1 4.41Å; L613-L622 HydrophobicContact CG-CD1 3.99Å; L613-W642 HydrophobicContact CD2-CH2 3.83Å; L613-W642 HydrophobicContact CD2-CZ3 3.74Å; L613-Y702 HydrophobicContact CD1-CD1 4Å; L613-Y702 HydrophobicContact CD1-CD2 3.2Å; L613-Y702 HydrophobicContact CD1-CE1 4.32Å; L613-Y702 HydrophobicContact CD1-CE2 3.57Å; L613-Y702 HydrophobicContact CD1-CG 3.44Å; L613-Y702 VanDerWaalsContact CD1-CG 3.44Å
614	L	97.4	Very high	95.1	Very high	32 Å²	32	50.2 Å²	50.2	17%	0.168	29%	0.287	C	S	.	.	H	α-helix	trans	-62.3	-44	176.5	-69.8	174	0	0	0	111.5	K610 A611 E612 M616 L617 D618 W642 R643	K610-L614 HydrophobicContact CG-CD1 4.22Å; K610-L614 HydrophobicContact CG-CG 4.37Å; K610-L614 VanDerWaalsContact O-CG 3.26Å; K610-L614 WeakPolarHBondContact O-CG 2.96Å; K610-L614 PolarHBondContact O-N 2.99Å; A611-L614 PolarHBondContact O-N 3.48Å; E612-L614 VanDerWaalsContact C-N 3.33Å; E612-L614 PolarHBondContact O-N 3.48Å; L614-M616 VanDerWaalsContact C-N 3.27Å; L614-M616 PolarHBondContact O-N 3.38Å; L614-L617 HydrophobicContact CD2-CD1 4.25Å; L614-L617 WeakPolarHBondContact O-CB 3.49Å; L614-L617 PolarHBondContact O-N 3.1Å; L614-D618 PolarHBondContact O-N 3.49Å; L614-W642 HydrophobicContact CD2-CZ3 4.14Å; L614-R643 HydrophobicContact CD2-CB 3.95Å; L614-R643 HydrophobicContact CD2-CG 3.61Å
615	S	97.1	Very high	95.2	Very high	59 Å²	59	49.1 Å²	49.1	41%	0.413	28%	0.28	S	S	.	.	H	α-helix	trans	-58.4	-41.7	173.5	179.5	0	0	0	0	111.4	A611 E612 D618 M619	A611-S615 PolarHBondContact O-N 3.35Å; E612-S615 WeakPolarHBondContact O-CB 3.25Å; E612-S615 PolarHBondContact O-N 3.23Å; S615-D618 PolarHBondContact O-N 2.83Å; S615-M619 WeakPolarHBondContact O-CB 3.1Å; S615-M619 VanDerWaalsContact O-CG 3.27Å; S615-M619 WeakPolarHBondContact O-CG 3.48Å; S615-M619 PolarHBondContact O-N 2.76Å
616	M	96.9	Very high	94.9	Very high	19 Å²	19	47.7 Å²	47.7	9%	0.094	26%	0.261	C	S	.	.	H	α-helix	trans	-67.5	-33.9	177.9	-71.5	-179.5	83	0	0	113.7	L604 P607 E612 L613 L614 M619 G620 T621 L622	L604-M616 HydrophobicContact CD1-CE 3.44Å; L604-M616 VanDerWaalsContact CD1-CE 3.44Å; L604-M616 HydrophobicContact CG-CE 4.37Å; P607-M616 HydrophobicContact CB-SD 3.87Å; P607-M616 HydrophobicContact CG-SD 4.16Å; E612-M616 HydrophobicContact CG-SD 4.47Å; E612-M616 VanDerWaalsContact O-CG 3.28Å; E612-M616 WeakPolarHBondContact O-CG 3.46Å; E612-M616 PolarHBondContact O-N 3.11Å; L613-M616 WeakPolarHBondContact O-CB 3.32Å; L613-M616 PolarHBondContact O-N 2.95Å; L614-M616 VanDerWaalsContact C-N 3.27Å; L614-M616 PolarHBondContact O-N 3.38Å; M616-M619 HydrophobicContact CG-CE 4.2Å; M616-G620 PolarHBondContact O-N 2.59Å; M616-T621 WeakPolarHBondContact CA-OG1 3.47Å; M616-T621 VanDerWaalsContact CB-OG1 3.28Å; M616-T621 WeakPolarHBondContact CB-OG1 3.49Å; M616-T621 PolarHBondContact O-N 3.5Å; M616-T621 PolarHBondContact O-OG1 3.44Å; M616-L622 HydrophobicContact CB-CB 4.38Å; M616-L622 HydrophobicContact CB-CD1 3.76Å; M616-L622 HydrophobicContact CB-CG 3.91Å; M616-L622 HydrophobicContact CE-CD1 4.25Å; M616-L622 HydrophobicContact CE-CG 4.17Å; M616-L622 PolarHBondContact O-N 3.48Å; M616-L622 HydrophobicContact SD-CD1 4.07Å
617	L	95.2	Very high	94.3	Very high	31 Å²	31	50.8 Å²	50.8	16%	0.162	27%	0.273	C	S	.	.	H	α-helix	trans	-65.2	-46.7	170.5	-72.3	170.8	0	0	0	110.8	F597 L613 L614 M619 G620 L622	F597-L617 HydrophobicContact CD1-CD1 4.27Å; F597-L617 HydrophobicContact CD1-CD2 3.89Å; F597-L617 HydrophobicContact CE1-CD1 3.82Å; F597-L617 HydrophobicContact CE1-CD2 4.22Å; L613-L617 HydrophobicContact CD2-CD1 3.56Å; L613-L617 HydrophobicContact CD2-CG 4.07Å; L613-L617 WeakPolarHBondContact O-CG 3.27Å; L613-L617 PolarHBondContact O-N 3.31Å; L614-L617 HydrophobicContact CD2-CD1 4.25Å; L614-L617 WeakPolarHBondContact O-CB 3.49Å; L614-L617 PolarHBondContact O-N 3.1Å; L617-M619 VanDerWaalsContact C-N 3.26Å; L617-M619 PolarHBondContact O-N 2.93Å; L617-G620 PolarHBondContact O-N 2.99Å; L617-L622 HydrophobicContact CD2-CB 3.86Å; L617-L622 HydrophobicContact CG-CB 4.32Å
618	D	96	Very high	93.7	Very high	109 Å²	109	55.7 Å²	55.7	58%	0.583	30%	0.295	S	S	*	.	H	α-helix	trans	-66.6	-31.1	-178	-63.2	-13.9	0	0	0	111.7	L614 S615 G620 R643	L614-D618 PolarHBondContact O-N 3.49Å; S615-D618 PolarHBondContact O-N 2.83Å; D618-G620 VanDerWaalsContact C-N 3.29Å; D618-G620 PolarHBondContact O-N 3.31Å; D618-R643 VanDerWaalsContact CG-NH2 3.29Å; D618-R643 IonicContact OD1-CZ 2.74Å; D618-R643 IonicContact OD1-NH1 2.59Å; D618-R643 PolarHBondContact OD1-NH1 3.32Å; D618-R643 IonicContact OD1-NH2 3.23Å; D618-R643 PolarHBondContact OD1-NH2 3.27Å; D618-R643 IonicContact OD2-NH2 2.89Å; D618-R643 PolarHBondContact OD2-NH2 3.01Å
619	M	94.6	Very high	93.2	Very high	122 Å²	122	51.6 Å²	51.6	60%	0.601	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79	-4.1	172.2	-69.2	-173.1	-64.6	0	0	114.2	S615 M616 L617 T621	S615-M619 WeakPolarHBondContact O-CB 3.1Å; S615-M619 VanDerWaalsContact O-CG 3.27Å; S615-M619 WeakPolarHBondContact O-CG 3.48Å; S615-M619 PolarHBondContact O-N 2.76Å; M616-M619 HydrophobicContact CG-CE 4.2Å; L617-M619 VanDerWaalsContact C-N 3.26Å; L617-M619 PolarHBondContact O-N 2.93Å; M619-T621 VanDerWaalsContact C-N 3.32Å; M619-T621 HydrophobicContact CB-CG2 4.08Å; M619-T621 PolarHBondContact O-N 2.88Å
620	G	92.5	Very high	92.8	Very high	38 Å²	38	53.9 Å²	53.9	39%	0.392	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	67.6	28.6	-178.4	0	0	0	0	0	114.2	M616 L617 D618 F623	M616-G620 PolarHBondContact O-N 2.59Å; L617-G620 PolarHBondContact O-N 2.99Å; D618-G620 VanDerWaalsContact C-N 3.29Å; D618-G620 PolarHBondContact O-N 3.31Å; G620-F623 WeakPolarHBondContact O-CZ 3.12Å
621	T	92.6	Very high	92.4	Very high	13 Å²	13	56.2 Å²	56.2	8%	0.08	30%	0.302	C	S	.	.	S	Bend	trans	-97.6	-23.7	176.1	65.9	0	0	0	0	112.9	T599 M616 M619	T599-T621 PolarHBondContact OG1-O 3.2Å; M616-T621 WeakPolarHBondContact CA-OG1 3.47Å; M616-T621 VanDerWaalsContact CB-OG1 3.28Å; M616-T621 WeakPolarHBondContact CB-OG1 3.49Å; M616-T621 PolarHBondContact O-N 3.5Å; M616-T621 PolarHBondContact O-OG1 3.44Å; M619-T621 VanDerWaalsContact C-N 3.32Å; M619-T621 HydrophobicContact CB-CG2 4.08Å; M619-T621 PolarHBondContact O-N 2.88Å
622	L	95.1	Very high	92	Very high	2 Å²	2	59.4 Å²	59.4	1%	0.01	30%	0.303	C	S	.	.	S	Bend	trans	-119.9	157	168.1	-67.5	-179.7	0	0	0	109.1	E598 L604 P607 L613 M616 L617 I704	E598-L622 WeakPolarHBondContact O-CA 3.49Å; L604-L622 HydrophobicContact CD1-CD2 4.09Å; L604-L622 HydrophobicContact CD2-CD2 4.22Å; P607-L622 HydrophobicContact CG-CD1 4.41Å; L613-L622 HydrophobicContact CD1-CD1 4.41Å; L613-L622 HydrophobicContact CG-CD1 3.99Å; M616-L622 HydrophobicContact CB-CB 4.38Å; M616-L622 HydrophobicContact CB-CD1 3.76Å; M616-L622 HydrophobicContact CB-CG 3.91Å; M616-L622 HydrophobicContact CE-CD1 4.25Å; M616-L622 HydrophobicContact CE-CG 4.17Å; M616-L622 PolarHBondContact O-N 3.48Å; M616-L622 HydrophobicContact SD-CD1 4.07Å; L617-L622 HydrophobicContact CD2-CB 3.86Å; L617-L622 HydrophobicContact CG-CB 4.32Å; L622-I704 HydrophobicContact CD1-CD1 3.96Å; L622-I704 HydrophobicContact CD2-CD1 4.32Å; L622-I704 HydrophobicContact CD2-CG2 4.11Å
623	F	94.7	Very high	91.8	Very high	52 Å²	52	56.2 Å²	56.2	23%	0.228	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	163.1	175.7	-53.5	-84.5	0	0	0	109.7	F597 E598 L600 G620 Y627	F597-F623 CarbonylContact C-O 3.51Å; F597-F623 VanDerWaalsContact CA-O 3.24Å; F597-F623 WeakPolarHBondContact CA-O 3.19Å; F597-F623 WeakPolarHBondContact CB-O 3.45Å; E598-F623 HydrophobicContact CG-CB 4.11Å; E598-F623 PolarHBondContact N-O 3.21Å; E598-F623 PolarHBondContact O-N 2.9Å; L600-F623 HydrophobicContact CD1-CD2 4.46Å; L600-F623 HydrophobicContact CD1-CE2 3.89Å; L600-F623 HydrophobicContact CG-CD2 4.26Å; L600-F623 HydrophobicContact CG-CE2 3.99Å; G620-F623 WeakPolarHBondContact O-CZ 3.12Å; F623-Y627 HydrophobicContact CB-CD1 3.33Å; F623-Y627 HydrophobicContact CB-CE1 3.59Å; F623-Y627 HydrophobicContact CB-CG 4.01Å; F623-Y627 HydrophobicContact CD1-CD1 4.14Å; F623-Y627 AromaticContact CD1-CE1 3.74Å; F623-Y627 HydrophobicContact CD1-CE1 3.74Å; F623-Y627 HydrophobicContact CD1-CE2 4.16Å; F623-Y627 AromaticContact CD1-CZ 3.75Å; F623-Y627 HydrophobicContact CD2-CD1 4.5Å; F623-Y627 AromaticContact CD2-CE1 3.89Å; F623-Y627 HydrophobicContact CD2-CE1 3.89Å; F623-Y627 HydrophobicContact CE1-CE1 4.42Å; F623-Y627 AromaticContact CG-CD1 3.75Å; F623-Y627 HydrophobicContact CG-CD1 3.75Å; F623-Y627 AromaticContact CG-CE1 3.44Å; F623-Y627 HydrophobicContact CG-CE1 3.44Å; F623-Y627 VanDerWaalsContact CG-CE1 3.44Å; F623-Y627 HydrophobicContact CG-CG 4.48Å; F623-Y627 AromaticContact CG-CZ 3.94Å
624	T	93	Very high	91.7	Very high	41 Å²	41	56.3 Å²	56.3	25%	0.252	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.9	145.3	164.8	54.5	0	0	0	0	109.1	F597 R626 Y627 F639	F597-T624 HydrophobicContact CE1-CG2 4.41Å; T624-R626 PolarHBondContact O-N 2.9Å; T624-Y627 WeakPolarHBondContact O-CB 3.43Å; T624-Y627 PolarHBondContact O-N 2.86Å; T624-Y627 VanDerWaalsContact O-N 3.17Å; T624-Y627 WeakPolarHBondContact OG1-CB 3.19Å; T624-F639 HydrophobicContact CG2-CB 3.96Å; T624-F639 HydrophobicContact CG2-CD1 3.72Å; T624-F639 HydrophobicContact CG2-CD2 3.72Å; T624-F639 HydrophobicContact CG2-CE1 4.07Å; T624-F639 HydrophobicContact CG2-CE2 4.07Å; T624-F639 HydrophobicContact CG2-CG 3.52Å; T624-F639 HydrophobicContact CG2-CZ 4.24Å
625	F	92.1	Very high	91.5	Very high	10 Å²	10	57 Å²	57	4%	0.044	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.4	133.3	-173.8	-179.5	-131.4	0	0	0	111.7	F566 A596 E598 Y627 H634 Y660 H705	F566-F625 HydrophobicContact CE1-CG 4.49Å; F566-F625 HydrophobicContact CE2-CE1 4.41Å; F566-F625 HydrophobicContact CE2-CZ 4.25Å; F566-F625 AromaticContact CZ-CD1 3.87Å; F566-F625 HydrophobicContact CZ-CD1 3.87Å; F566-F625 HydrophobicContact CZ-CD2 4.13Å; F566-F625 AromaticContact CZ-CE1 3.75Å; F566-F625 HydrophobicContact CZ-CE1 3.75Å; F566-F625 AromaticContact CZ-CE2 3.94Å; F566-F625 HydrophobicContact CZ-CE2 3.94Å; F566-F625 HydrophobicContact CZ-CG 4.1Å; F566-F625 AromaticContact CZ-CZ 3.76Å; F566-F625 HydrophobicContact CZ-CZ 3.76Å; A596-F625 HydrophobicContact CB-CB 3.81Å; A596-F625 HydrophobicContact CB-CD1 4.17Å; A596-F625 HydrophobicContact CB-CG 4.27Å; A596-F625 WeakPolarHBondContact O-CB 3.42Å; A596-F625 PolarHBondContact O-N 3.32Å; A596-F625 VanDerWaalsContact O-N 3.15Å; E598-F625 HydrophobicContact CB-CD2 4.04Å; F625-Y627 PolarHBondContact O-N 3.39Å; F625-H634 AromaticContact CD1-CD2 3.65Å; F625-H634 AromaticContact CD1-CE1 3.56Å; F625-H634 AromaticContact CD1-NE2 3.1Å; F625-H634 WeakPolarHBondContact CD1-NE2 3.05Å; F625-H634 AromaticContact CE1-NE2 3.46Å; F625-H634 WeakPolarHBondContact CE1-NE2 3.48Å; F625-Y660 HydrophobicContact CD1-CE2 4.11Å; F625-Y660 HydrophobicContact CE1-CE2 4.12Å; F625-Y660 VanDerWaalsContact CE1-OH 3.27Å; F625-Y660 WeakPolarHBondContact CE1-OH 3.42Å; F625-H705 HydrophobicContact CD2-CB 3.85Å; F625-H705 AromaticContact CD2-CG 4Å; F625-H705 HydrophobicContact CE2-CB 3.87Å; F625-H705 AromaticContact CE2-CD2 3.38Å; F625-H705 WeakPolarHBondContact CE2-CD2 3.46Å; F625-H705 AromaticContact CE2-CG 3.5Å; F625-H705 AromaticContact CE2-NE2 3.83Å; F625-H705 AromaticContact CZ-CD2 3.81Å
626	R	86.2	Confident	91.4	Very high	62 Å²	62	54.7 Å²	54.7	23%	0.234	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	56.3	27.5	-176.1	-61.3	-66.9	-171.5	174.9	-3.7	114.6	E598 T624 H628 V629 W630	E598-R626 VanDerWaalsContact CD-N 3.27Å; E598-R626 VanDerWaalsContact OE1-CA 3.32Å; E598-R626 WeakPolarHBondContact OE1-CA 3.17Å; E598-R626 PolarHBondContact OE1-N 2.8Å; E598-R626 PolarHBondContact OE2-N 3.21Å; T624-R626 PolarHBondContact O-N 2.9Å; R626-H628 PolarHBondContact O-N 2.99Å; R626-V629 PolarHBondContact O-N 3.5Å; R626-V629 VanDerWaalsContact O-N 3.11Å; R626-W630 HydrophobicContact CB-CB 3.98Å; R626-W630 CarbonylContact O-C 3.45Å; R626-W630 PolarHBondContact O-N 2.78Å
627	Y	83.6	Confident	91.4	Very high	87 Å²	87	53.9 Å²	53.9	34%	0.341	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.4	-32	-174.5	77.7	-79.5	0	0	0	114.2	E598 F623 T624 F625 T631	E598-Y627 VanDerWaalsContact OE1-CD1 3.25Å; E598-Y627 WeakPolarHBondContact OE1-CD1 3.31Å; E598-Y627 PolarHBondContact OE1-N 2.9Å; F623-Y627 HydrophobicContact CB-CD1 3.33Å; F623-Y627 HydrophobicContact CB-CE1 3.59Å; F623-Y627 HydrophobicContact CB-CG 4.01Å; F623-Y627 HydrophobicContact CD1-CD1 4.14Å; F623-Y627 AromaticContact CD1-CE1 3.74Å; F623-Y627 HydrophobicContact CD1-CE1 3.74Å; F623-Y627 HydrophobicContact CD1-CE2 4.16Å; F623-Y627 AromaticContact CD1-CZ 3.75Å; F623-Y627 HydrophobicContact CD2-CD1 4.5Å; F623-Y627 AromaticContact CD2-CE1 3.89Å; F623-Y627 HydrophobicContact CD2-CE1 3.89Å; F623-Y627 HydrophobicContact CE1-CE1 4.42Å; F623-Y627 AromaticContact CG-CD1 3.75Å; F623-Y627 HydrophobicContact CG-CD1 3.75Å; F623-Y627 AromaticContact CG-CE1 3.44Å; F623-Y627 HydrophobicContact CG-CE1 3.44Å; F623-Y627 VanDerWaalsContact CG-CE1 3.44Å; F623-Y627 HydrophobicContact CG-CG 4.48Å; F623-Y627 AromaticContact CG-CZ 3.94Å; T624-Y627 WeakPolarHBondContact O-CB 3.43Å; T624-Y627 PolarHBondContact O-N 2.86Å; T624-Y627 VanDerWaalsContact O-N 3.17Å; T624-Y627 WeakPolarHBondContact OG1-CB 3.19Å; F625-Y627 PolarHBondContact O-N 3.39Å; Y627-T631 PolarHBondContact O-OG1 3.29Å
628	H	83.9	Confident	91.5	Very high	103 Å²	103	55.9 Å²	55.9	48%	0.477	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.9	-12.4	-172.1	60.7	-70.4	0	0	0	114.8	E598 R626	E598-H628 IonicContact OE1-CE1 3.9Å; E598-H628 IonicContact OE1-ND1 2.94Å; E598-H628 PolarHBondContact OE1-ND1 3.09Å; R626-H628 PolarHBondContact O-N 2.99Å
629	V	84.6	Confident	91.4	Very high	85 Å²	85	52 Å²	52	52%	0.515	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-126.8	-37.5	-173.6	174.2	0	0	0	0	112.5	R626	R626-V629 PolarHBondContact O-N 3.5Å; R626-V629 VanDerWaalsContact O-N 3.11Å
630	W	86.8	Confident	91.5	Very high	99 Å²	99	49.9 Å²	49.9	38%	0.375	27%	0.269	S	S	.	.			trans	-145.2	57.4	-170.7	-165.7	-114.5	0	0	0	111.8	R626 K632 G633 D656 E658	R626-W630 HydrophobicContact CB-CB 3.98Å; R626-W630 CarbonylContact O-C 3.45Å; R626-W630 PolarHBondContact O-N 2.78Å; W630-K632 VanDerWaalsContact C-N 3.26Å; W630-K632 PolarHBondContact O-N 3.13Å; W630-G633 PolarHBondContact O-N 3.44Å; W630-G633 VanDerWaalsContact O-N 3.16Å; W630-D656 HydrophobicContact CH2-CB 4.3Å; W630-D656 HydrophobicContact CZ2-CB 3.51Å; W630-D656 VanDerWaalsContact CZ2-CG 3.47Å; W630-E658 PolarHBondContact NE1-OE1 2.99Å
631	T	87.4	Confident	91.7	Very high	80 Å²	80	52.5 Å²	52.5	49%	0.491	27%	0.27	S	S	.	.	G	3₁₀ helix	trans	-58.9	-37.7	-176.9	-37.5	0	0	0	0	112.2	Y627 G633 H634 A635	Y627-T631 PolarHBondContact O-OG1 3.29Å; T631-G633 PolarHBondContact O-N 2.83Å; T631-H634 PolarHBondContact O-N 3.02Å; T631-A635 VanDerWaalsContact O-CB 3.27Å; T631-A635 WeakPolarHBondContact O-CB 3.42Å; T631-A635 PolarHBondContact O-N 3.39Å
632	K	88.9	Confident	92	Very high	136 Å²	136	52 Å²	52	59%	0.591	27%	0.266	S	S	*	.	G	3₁₀ helix	trans	-57.2	-32.1	179	-69.7	-171.3	176.3	-174.1	0	113.1	W630 H634 P636 D656	W630-K632 VanDerWaalsContact C-N 3.26Å; W630-K632 PolarHBondContact O-N 3.13Å; K632-H634 PolarHBondContact O-N 3.37Å; K632-H634 VanDerWaalsContact O-N 3.15Å; K632-P636 WeakPolarHBondContact O-CD 3.45Å; K632-D656 HydrophobicContact CB-CB 4.34Å
633	G	92.1	Very high	92.1	Very high	0 Å²	0	56.1 Å²	56.1	0%	0	28%	0.282	C	S	.	.	G	3₁₀ helix	trans	-63.1	-22.2	-179.7	0	0	0	0	0	114.9	W630 T631 D656 F657 E658	W630-G633 PolarHBondContact O-N 3.44Å; W630-G633 VanDerWaalsContact O-N 3.16Å; T631-G633 PolarHBondContact O-N 2.83Å; G633-D656 WeakPolarHBondContact CA-O 3.38Å; G633-F657 WeakPolarHBondContact O-CD2 3.28Å; G633-E658 PolarHBondContact O-N 3.47Å
634	H	94.4	Very high	92.2	Very high	3 Å²	3	59.3 Å²	59.3	1%	0.014	31%	0.305	C	S	.	.	T	Hydrogen-bonded Turn	trans	-131.9	-13.2	-177.2	-63.4	-77.1	0	0	0	114.4	F625 T631 K632 P636 T637 F639 E658	F625-H634 AromaticContact CD1-CD2 3.65Å; F625-H634 AromaticContact CD1-CE1 3.56Å; F625-H634 AromaticContact CD1-NE2 3.1Å; F625-H634 WeakPolarHBondContact CD1-NE2 3.05Å; F625-H634 AromaticContact CE1-NE2 3.46Å; F625-H634 WeakPolarHBondContact CE1-NE2 3.48Å; T631-H634 PolarHBondContact O-N 3.02Å; K632-H634 PolarHBondContact O-N 3.37Å; K632-H634 VanDerWaalsContact O-N 3.15Å; H634-P636 VanDerWaalsContact C-N 3.3Å; H634-T637 WeakPolarHBondContact O-CB 3.38Å; H634-T637 PolarHBondContact O-N 3.33Å; H634-T637 PolarHBondContact O-OG1 2.64Å; H634-F639 HydrophobicContact CB-CE2 3.89Å; H634-F639 HydrophobicContact CB-CZ 4.05Å; H634-F639 WeakPolarHBondContact O-CE2 3.47Å; H634-E658 PolarHBondContact CE1-O 2.64Å
635	A	93.3	Very high	92.4	Very high	47 Å²	47	58 Å²	58	39%	0.388	30%	0.299	S	S	.	.	G	3₁₀ helix	trans	-49.4	-40.5	-179.9	0	0	0	0	0	114.5	T631 T637 N638	T631-A635 VanDerWaalsContact O-CB 3.27Å; T631-A635 WeakPolarHBondContact O-CB 3.42Å; T631-A635 PolarHBondContact O-N 3.39Å; A635-T637 PolarHBondContact O-N 2.75Å; A635-N638 PolarHBondContact O-N 3.29Å
636	P	95.7	Very high	92.6	Very high	9 Å²	9	63 Å²	63	6%	0.058	33%	0.33	C	S	.	.	G	3₁₀ helix	trans	-60.1	-18.3	179.2	-25.8	36.4	0	0	0	114.4	K632 H634 N638 V651 E654 F657	K632-P636 WeakPolarHBondContact O-CD 3.45Å; H634-P636 VanDerWaalsContact C-N 3.3Å; P636-N638 PolarHBondContact O-N 3.42Å; P636-N638 VanDerWaalsContact O-N 3.09Å; P636-V651 WeakPolarHBondContact O-CB 3.44Å; P636-V651 VanDerWaalsContact O-CG1 3.29Å; P636-V651 WeakPolarHBondContact O-CG1 3.28Å; P636-E654 HydrophobicContact CB-CB 4.47Å; P636-E654 HydrophobicContact CB-CG 4.28Å; P636-E654 HydrophobicContact CG-CB 3.69Å; P636-E654 HydrophobicContact CG-CG 3.91Å; P636-F657 HydrophobicContact CB-CD1 4.2Å; P636-F657 HydrophobicContact CB-CD2 3.79Å; P636-F657 HydrophobicContact CB-CE1 4.18Å; P636-F657 HydrophobicContact CB-CE2 3.8Å; P636-F657 HydrophobicContact CB-CG 4.01Å; P636-F657 HydrophobicContact CB-CZ 3.99Å; P636-F657 HydrophobicContact CG-CB 4.15Å; P636-F657 HydrophobicContact CG-CD1 4.48Å; P636-F657 HydrophobicContact CG-CD2 3.63Å; P636-F657 HydrophobicContact CG-CE2 4.12Å; P636-F657 HydrophobicContact CG-CG 3.86Å
637	T	96.8	Very high	93.1	Very high	2 Å²	2	64.4 Å²	64.4	1%	0.012	35%	0.346	C	S	.	.	G	3₁₀ helix	trans	-59.9	-20.4	173	-56.7	0	0	0	0	112.6	I593 P595 H634 A635 F639 Y649 V697	I593-T637 HydrophobicContact CG2-CG2 4.39Å; P595-T637 HydrophobicContact CB-CG2 4.21Å; P595-T637 HydrophobicContact CG-CG2 4.03Å; H634-T637 WeakPolarHBondContact O-CB 3.38Å; H634-T637 PolarHBondContact O-N 3.33Å; H634-T637 PolarHBondContact O-OG1 2.64Å; A635-T637 PolarHBondContact O-N 2.75Å; T637-F639 HydrophobicContact CG2-CD1 4.45Å; T637-F639 HydrophobicContact CG2-CE1 4.16Å; T637-F639 HydrophobicContact CG2-CZ 4.19Å; T637-Y649 PolarHBondContact O-OH 3.25Å; T637-V697 HydrophobicContact CG2-CG1 4.08Å; T637-V697 HydrophobicContact CG2-CG2 4.15Å
638	N	96.4	Very high	93.8	Very high	73 Å²	73	61.7 Å²	61.7	39%	0.39	34%	0.339	S	S	.	.			trans	54.5	66	-178.7	-167.6	-19.3	0	0	0	111.8	A635 P636 A640 K641 W642 Y649	A635-N638 PolarHBondContact O-N 3.29Å; P636-N638 PolarHBondContact O-N 3.42Å; P636-N638 VanDerWaalsContact O-N 3.09Å; N638-A640 PolarHBondContact O-N 3.34Å; N638-K641 HydrophobicContact CB-CB 4.2Å; N638-K641 VanDerWaalsContact CG-CB 3.48Å; N638-K641 WeakPolarHBondContact O-CB 3.2Å; N638-K641 PolarHBondContact O-N 3.49Å; N638-K641 VanDerWaalsContact OD1-CB 3.3Å; N638-K641 WeakPolarHBondContact OD1-CB 3.2Å; N638-K641 PolarHBondContact OD1-N 3.06Å; N638-W642 PolarHBondContact O-N 3.13Å; N638-Y649 PolarHBondContact O-OH 3.17Å
639	F	95.8	Very high	94.5	Very high	29 Å²	29	57.5 Å²	57.5	13%	0.127	32%	0.319	C	S	.	.	H	α-helix	trans	-58.1	-30.2	-178.4	-67.1	-82.5	0	0	0	113.2	P595 F597 T624 H634 T637 W642 R643	P595-F639 HydrophobicContact CB-CE1 4.12Å; F597-F639 AromaticContact CE1-CD1 3.93Å; F597-F639 HydrophobicContact CE1-CD1 3.93Å; F597-F639 HydrophobicContact CE1-CE1 4.1Å; F597-F639 HydrophobicContact CZ-CD1 4.06Å; F597-F639 HydrophobicContact CZ-CE1 4.18Å; T624-F639 HydrophobicContact CG2-CB 3.96Å; T624-F639 HydrophobicContact CG2-CD1 3.72Å; T624-F639 HydrophobicContact CG2-CD2 3.72Å; T624-F639 HydrophobicContact CG2-CE1 4.07Å; T624-F639 HydrophobicContact CG2-CE2 4.07Å; T624-F639 HydrophobicContact CG2-CG 3.52Å; T624-F639 HydrophobicContact CG2-CZ 4.24Å; H634-F639 HydrophobicContact CB-CE2 3.89Å; H634-F639 HydrophobicContact CB-CZ 4.05Å; H634-F639 WeakPolarHBondContact O-CE2 3.47Å; T637-F639 HydrophobicContact CG2-CD1 4.45Å; T637-F639 HydrophobicContact CG2-CE1 4.16Å; T637-F639 HydrophobicContact CG2-CZ 4.19Å; F639-W642 WeakPolarHBondContact O-CB 3.42Å; F639-W642 PolarHBondContact O-N 3.22Å; F639-R643 WeakPolarHBondContact O-CG 3.24Å; F639-R643 PolarHBondContact O-N 2.91Å; F639-R643 VanDerWaalsContact O-N 3.1Å
640	A	95.2	Very high	95.1	Very high	76 Å²	76	59.3 Å²	59.3	63%	0.628	32%	0.317	S	S	*	.	H	α-helix	trans	-61.3	-46.6	174.7	0	0	0	0	0	111.4	N638 R643	N638-A640 PolarHBondContact O-N 3.34Å; A640-R643 PolarHBondContact O-N 2.97Å
641	K	97.6	Very high	95.6	Very high	94 Å²	94	55.2 Å²	55.2	41%	0.409	30%	0.303	S	S	.	.	H	α-helix	trans	-64.5	-40.7	172.6	-176.6	175.6	178.5	-179.1	0	111.6	N638 R643 T644 A645 Y649	N638-K641 HydrophobicContact CB-CB 4.2Å; N638-K641 VanDerWaalsContact CG-CB 3.48Å; N638-K641 WeakPolarHBondContact O-CB 3.2Å; N638-K641 PolarHBondContact O-N 3.49Å; N638-K641 VanDerWaalsContact OD1-CB 3.3Å; N638-K641 WeakPolarHBondContact OD1-CB 3.2Å; N638-K641 PolarHBondContact OD1-N 3.06Å; K641-R643 VanDerWaalsContact C-N 3.27Å; K641-R643 PolarHBondContact O-N 2.92Å; K641-T644 PolarHBondContact O-N 2.77Å; K641-T644 PolarHBondContact O-OG1 3.21Å; K641-A645 WeakPolarHBondContact O-CB 3.41Å; K641-A645 PolarHBondContact O-N 3.31Å; K641-Y649 HydrophobicContact CD-CD1 4.48Å; K641-Y649 HydrophobicContact CD-CD2 3.72Å; K641-Y649 HydrophobicContact CD-CE2 3.85Å; K641-Y649 HydrophobicContact CD-CG 4.05Å; K641-Y649 HydrophobicContact CG-CD1 4.49Å; K641-Y649 HydrophobicContact CG-CD2 4.43Å; K641-Y649 HydrophobicContact CG-CE1 4.31Å; K641-Y649 HydrophobicContact CG-CE2 4.25Å
642	W	97.9	Very high	96	Very high	1 Å²	1	56.9 Å²	56.9	0%	0.004	31%	0.305	C	S	.	.	H	α-helix	trans	-55.8	-41.1	179.2	-174.2	78.4	0	0	0	112.6	P595 F597 K610 L613 L614 N638 F639 T644 A645 Y649 L698 P699 A701 Y702	P595-W642 HydrophobicContact CG-CG 4.26Å; F597-W642 HydrophobicContact CE1-CZ3 4.43Å; F597-W642 AromaticContact CE2-CH2 3.96Å; F597-W642 HydrophobicContact CE2-CH2 3.96Å; F597-W642 HydrophobicContact CE2-CZ2 4.36Å; F597-W642 HydrophobicContact CE2-CZ3 4.12Å; F597-W642 HydrophobicContact CZ-CD2 4.38Å; F597-W642 AromaticContact CZ-CE3 3.81Å; F597-W642 HydrophobicContact CZ-CE3 3.81Å; F597-W642 AromaticContact CZ-CH2 3.86Å; F597-W642 HydrophobicContact CZ-CH2 3.86Å; F597-W642 HydrophobicContact CZ-CZ2 4.44Å; F597-W642 AromaticContact CZ-CZ3 3.52Å; F597-W642 HydrophobicContact CZ-CZ3 3.52Å; K610-W642 HydrophobicContact CD-CH2 4.16Å; K610-W642 HydrophobicContact CD-CZ2 4.19Å; K610-W642 WeakPolarHBondContact CE-O 3.25Å; K610-W642 HydrophobicContact CG-CH2 3.84Å; K610-W642 HydrophobicContact CG-CZ2 4.31Å; K610-W642 HydrophobicContact CG-CZ3 4.32Å; K610-W642 PolarHBondContact NZ-O 3.44Å; L613-W642 HydrophobicContact CD2-CH2 3.83Å; L613-W642 HydrophobicContact CD2-CZ3 3.74Å; L614-W642 HydrophobicContact CD2-CZ3 4.14Å; N638-W642 PolarHBondContact O-N 3.13Å; F639-W642 WeakPolarHBondContact O-CB 3.42Å; F639-W642 PolarHBondContact O-N 3.22Å; W642-T644 PolarHBondContact O-N 3.15Å; W642-A645 PolarHBondContact O-N 3.41Å; W642-Y649 WeakPolarHBondContact CA-OH 3.42Å; W642-Y649 VanDerWaalsContact CB-OH 3.27Å; W642-Y649 WeakPolarHBondContact CB-OH 3.25Å; W642-Y649 PolarHBondContact N-OH 2.93Å; W642-L698 PolarHBondContact NE1-O 2.78Å; W642-P699 PolarHBondContact NE1-O 2.95Å; W642-A701 WeakPolarHBondContact CZ2-O 3.36Å; W642-Y702 HydrophobicContact CH2-CD1 4.43Å; W642-Y702 HydrophobicContact CZ2-CD1 4.43Å
643	R	97.2	Very high	96.3	Very high	90 Å²	90	51.9 Å²	51.9	34%	0.34	28%	0.283	S	S	.	.	H	α-helix	trans	-52.6	-41.6	-178.3	-70.6	179.1	63.9	100	0.9	112.7	L614 D618 F639 A640 K641	L614-R643 HydrophobicContact CD2-CB 3.95Å; L614-R643 HydrophobicContact CD2-CG 3.61Å; D618-R643 VanDerWaalsContact CG-NH2 3.29Å; D618-R643 IonicContact OD1-CZ 2.74Å; D618-R643 IonicContact OD1-NH1 2.59Å; D618-R643 PolarHBondContact OD1-NH1 3.32Å; D618-R643 IonicContact OD1-NH2 3.23Å; D618-R643 PolarHBondContact OD1-NH2 3.27Å; D618-R643 IonicContact OD2-NH2 2.89Å; D618-R643 PolarHBondContact OD2-NH2 3.01Å; F639-R643 WeakPolarHBondContact O-CG 3.24Å; F639-R643 PolarHBondContact O-N 2.91Å; F639-R643 VanDerWaalsContact O-N 3.1Å; A640-R643 PolarHBondContact O-N 2.97Å; K641-R643 VanDerWaalsContact C-N 3.27Å; K641-R643 PolarHBondContact O-N 2.92Å
644	T	96.7	Very high	96.4	Very high	118 Å²	118	57.1 Å²	57.1	72%	0.724	31%	0.307	S	S	*	.	H	α-helix	trans	-102.7	-9.8	-176.7	58.2	0	0	0	0	113.9	K641 W642	K641-T644 PolarHBondContact O-N 2.77Å; K641-T644 PolarHBondContact O-OG1 3.21Å; W642-T644 PolarHBondContact O-N 3.15Å
645	A	97.4	Very high	96.2	Very high	14 Å²	14	59.3 Å²	59.3	12%	0.116	33%	0.326	C	S	.	.			trans	-65.7	134.2	-179.6	0	0	0	0	0	111.9	K610 K641 W642 Y649 P699	K610-A645 PolarHBondContact NZ-O 2.65Å; K641-A645 WeakPolarHBondContact O-CB 3.41Å; K641-A645 PolarHBondContact O-N 3.31Å; W642-A645 PolarHBondContact O-N 3.41Å; A645-Y649 HydrophobicContact CB-CD1 3.8Å; A645-Y649 HydrophobicContact CB-CE1 3.67Å; A645-P699 HydrophobicContact CB-CB 4.13Å
646	T	96.1	Very high	96.1	Very high	115 Å²	115	58.3 Å²	58.3	71%	0.706	31%	0.314	S	S	*	.			trans	-112.8	-16.2	173.6	54.1	0	0	0	0	112.5
647	T	97.2	Very high	96.1	Very high	92 Å²	92	57.9 Å²	57.9	56%	0.564	31%	0.311	S	S	*	.	S	Bend	trans	-120.9	153.5	177.2	54.8	0	0	0	0	110.9
648	P	98.2	Very high	96	Very high	30 Å²	30	59.3 Å²	59.3	20%	0.195	32%	0.317	C	S	.	.			trans	-57.2	143.6	172.9	-22.1	33.1	0	0	0	112	L583 I696 V697 P699	L583-P648 HydrophobicContact CD1-CB 4.33Å; L583-P648 HydrophobicContact CD1-CG 4.43Å; L583-P648 HydrophobicContact CD2-CB 4.09Å; L583-P648 HydrophobicContact CD2-CG 4.22Å; P648-I696 HydrophobicContact CB-CG2 3.65Å; P648-V697 WeakPolarHBondContact CA-O 3.47Å; P648-P699 HydrophobicContact CG-CG 4.46Å
649	Y	98.4	Very high	96	Very high	15 Å²	15	56.1 Å²	56.1	6%	0.059	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	142.7	-179.5	63.1	-91.5	0	0	0	111.9	T637 N638 K641 W642 A645 V651 I696 V697	T637-Y649 PolarHBondContact O-OH 3.25Å; N638-Y649 PolarHBondContact O-OH 3.17Å; K641-Y649 HydrophobicContact CD-CD1 4.48Å; K641-Y649 HydrophobicContact CD-CD2 3.72Å; K641-Y649 HydrophobicContact CD-CE2 3.85Å; K641-Y649 HydrophobicContact CD-CG 4.05Å; K641-Y649 HydrophobicContact CG-CD1 4.49Å; K641-Y649 HydrophobicContact CG-CD2 4.43Å; K641-Y649 HydrophobicContact CG-CE1 4.31Å; K641-Y649 HydrophobicContact CG-CE2 4.25Å; W642-Y649 WeakPolarHBondContact CA-OH 3.42Å; W642-Y649 VanDerWaalsContact CB-OH 3.27Å; W642-Y649 WeakPolarHBondContact CB-OH 3.25Å; W642-Y649 PolarHBondContact N-OH 2.93Å; A645-Y649 HydrophobicContact CB-CD1 3.8Å; A645-Y649 HydrophobicContact CB-CE1 3.67Å; Y649-V651 HydrophobicContact CD2-CG1 3.86Å; Y649-V651 HydrophobicContact CE2-CG1 3.63Å; Y649-I696 CarbonylContact O-C 3.58Å; Y649-V697 HydrophobicContact CD1-CB 4.34Å; Y649-V697 HydrophobicContact CD2-CB 4.12Å; Y649-V697 HydrophobicContact CD2-CG2 4.33Å; Y649-V697 HydrophobicContact CE1-CB 3.87Å; Y649-V697 HydrophobicContact CE1-CG1 3.92Å; Y649-V697 HydrophobicContact CE2-CB 3.64Å; Y649-V697 HydrophobicContact CE2-CG1 4.21Å; Y649-V697 HydrophobicContact CE2-CG2 3.72Å; Y649-V697 HydrophobicContact CG-CB 4.45Å; Y649-V697 VanDerWaalsContact CZ-CB 3.5Å; Y649-V697 PolarHBondContact N-O 2.74Å; Y649-V697 PolarHBondContact O-N 3.43Å; Y649-V697 WeakPolarHBondContact OH-CG1 3.4Å
650	R	98	Very high	96.2	Very high	122 Å²	122	54.9 Å²	54.9	46%	0.46	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	144.3	175.1	-177.2	173.6	156.8	159.2	-1.8	111.2	E652 E694 F695 I696	R650-E652 IonicContact CZ-OE1 3.44Å; R650-E652 IonicContact NE-OE1 2.76Å; R650-E652 PolarHBondContact NE-OE1 3.1Å; R650-E652 IonicContact NH2-OE1 3.01Å; R650-E652 PolarHBondContact NH2-OE1 3Å; R650-E652 IonicContact NH2-OE2 3.63Å; R650-E694 IonicContact CZ-OE1 3.92Å; R650-E694 IonicContact NH1-OE1 2.81Å; R650-E694 PolarHBondContact NH1-OE1 3.36Å; R650-F695 WeakPolarHBondContact CA-O 3.37Å; R650-I696 HydrophobicContact CB-CD1 3.75Å; R650-I696 HydrophobicContact CG-CD1 4.13Å
651	V	97.9	Very high	96.3	Very high	14 Å²	14	51.3 Å²	51.3	9%	0.085	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	155.3	167.9	-63.1	0	0	0	0	109.2	I593 P636 Y649 F695 V697	I593-V651 HydrophobicContact CD1-CG2 3.73Å; P636-V651 WeakPolarHBondContact O-CB 3.44Å; P636-V651 VanDerWaalsContact O-CG1 3.29Å; P636-V651 WeakPolarHBondContact O-CG1 3.28Å; Y649-V651 HydrophobicContact CD2-CG1 3.86Å; Y649-V651 HydrophobicContact CE2-CG1 3.63Å; V651-F695 HydrophobicContact CG2-CB 3.86Å; V651-F695 PolarHBondContact N-O 2.94Å; V651-V697 HydrophobicContact CG1-CG2 3.71Å; V651-V697 HydrophobicContact CG2-CG2 3.94Å
652	E	95.4	Very high	96.4	Very high	114 Å²	114	46.8 Å²	46.8	53%	0.533	25%	0.246	S	C	.	.			trans	-90.3	149.2	175.5	-64.1	-59.1	133.3	0	0	109.8	R650	R650-E652 IonicContact CZ-OE1 3.44Å; R650-E652 IonicContact NE-OE1 2.76Å; R650-E652 PolarHBondContact NE-OE1 3.1Å; R650-E652 IonicContact NH2-OE1 3.01Å; R650-E652 PolarHBondContact NH2-OE1 3Å; R650-E652 IonicContact NH2-OE2 3.63Å
653	W	94.5	Very high	96.4	Very high	32 Å²	32	46.8 Å²	46.8	12%	0.121	25%	0.246	C	C	.	.			trans	-69.5	141.8	172.9	178.6	95	0	0	0	110.3	A655 M686 D689 F695 Y749	W653-A655 HydrophobicContact CH2-CB 4.4Å; W653-M686 HydrophobicContact CH2-CE 3.9Å; W653-M686 HydrophobicContact CZ2-CB 4.29Å; W653-M686 HydrophobicContact CZ2-CE 3.64Å; W653-M686 HydrophobicContact CZ2-CG 4.28Å; W653-D689 HydrophobicContact CB-CB 4.09Å; W653-D689 VanDerWaalsContact CB-CG 3.42Å; W653-D689 WeakPolarHBondContact CB-OD2 3.46Å; W653-D689 HydrophobicContact CD2-CB 4.38Å; W653-D689 VanDerWaalsContact CD2-OD2 3.27Å; W653-D689 HydrophobicContact CG-CB 3.81Å; W653-D689 VanDerWaalsContact CG-CG 3.48Å; W653-D689 VanDerWaalsContact CG-OD2 3.27Å; W653-F695 HydrophobicContact CB-CD2 4.21Å; W653-F695 HydrophobicContact CB-CE2 3.87Å; W653-F695 HydrophobicContact CG-CE2 4.39Å; W653-Y749 HydrophobicContact CD2-CE1 4.32Å; W653-Y749 HydrophobicContact CE3-CD1 4.49Å; W653-Y749 HydrophobicContact CE3-CE1 4Å; W653-Y749 AromaticContact CH2-CD1 3.51Å; W653-Y749 HydrophobicContact CH2-CD1 3.51Å; W653-Y749 AromaticContact CH2-CE1 3.71Å; W653-Y749 HydrophobicContact CH2-CE1 3.71Å; W653-Y749 HydrophobicContact CZ2-CD1 4.12Å; W653-Y749 HydrophobicContact CZ2-CE1 4.03Å; W653-Y749 AromaticContact CZ3-CD1 3.72Å; W653-Y749 HydrophobicContact CZ3-CD1 3.72Å; W653-Y749 AromaticContact CZ3-CE1 3.69Å; W653-Y749 HydrophobicContact CZ3-CE1 3.69Å
654	E	93.5	Very high	96.4	Very high	109 Å²	109	45.9 Å²	45.9	51%	0.509	24%	0.243	S	C	.	.			trans	-132.8	161.2	171.9	-60.5	179.7	-160.2	0	0	110	P636 F657	P636-E654 HydrophobicContact CB-CB 4.47Å; P636-E654 HydrophobicContact CB-CG 4.28Å; P636-E654 HydrophobicContact CG-CB 3.69Å; P636-E654 HydrophobicContact CG-CG 3.91Å; E654-F657 WeakPolarHBondContact O-CB 3.49Å; E654-F657 PolarHBondContact O-N 3.08Å
655	A	90.8	Very high	96.4	Very high	50 Å²	50	47.4 Å²	47.4	41%	0.413	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.7	141.9	177.6	0	0	0	0	0	111.6	W653 F657	W653-A655 HydrophobicContact CH2-CB 4.4Å; A655-F657 PolarHBondContact O-N 3.2Å
656	D	91.7	Very high	96.2	Very high	26 Å²	26	50.9 Å²	50.9	14%	0.139	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	69.1	2	-177.1	-58.3	-45.1	0	0	0	116.3	W630 K632 G633 E658	W630-D656 HydrophobicContact CH2-CB 4.3Å; W630-D656 HydrophobicContact CZ2-CB 3.51Å; W630-D656 VanDerWaalsContact CZ2-CG 3.47Å; K632-D656 HydrophobicContact CB-CB 4.34Å; G633-D656 WeakPolarHBondContact CA-O 3.38Å; D656-E658 PolarHBondContact O-N 2.84Å
657	F	94.9	Very high	96.2	Very high	0 Å²	0	46 Å²	46	0%	0	22%	0.222	C	C	.	.			trans	-62.9	126.8	-178.2	-169.9	-144	0	0	0	112.7	I593 G633 P636 E654 A655 P659 I685	I593-F657 HydrophobicContact CD1-CE1 4.04Å; I593-F657 HydrophobicContact CD1-CZ 3.79Å; G633-F657 WeakPolarHBondContact O-CD2 3.28Å; P636-F657 HydrophobicContact CB-CD1 4.2Å; P636-F657 HydrophobicContact CB-CD2 3.79Å; P636-F657 HydrophobicContact CB-CE1 4.18Å; P636-F657 HydrophobicContact CB-CE2 3.8Å; P636-F657 HydrophobicContact CB-CG 4.01Å; P636-F657 HydrophobicContact CB-CZ 3.99Å; P636-F657 HydrophobicContact CG-CB 4.15Å; P636-F657 HydrophobicContact CG-CD1 4.48Å; P636-F657 HydrophobicContact CG-CD2 3.63Å; P636-F657 HydrophobicContact CG-CE2 4.12Å; P636-F657 HydrophobicContact CG-CG 3.86Å; E654-F657 WeakPolarHBondContact O-CB 3.49Å; E654-F657 PolarHBondContact O-N 3.08Å; A655-F657 PolarHBondContact O-N 3.2Å; F657-P659 HydrophobicContact CD1-CG 4.04Å; F657-P659 HydrophobicContact CD2-CG 4.38Å; F657-P659 HydrophobicContact CE1-CB 4.25Å; F657-P659 HydrophobicContact CE1-CG 3.6Å; F657-P659 HydrophobicContact CE2-CB 3.88Å; F657-P659 HydrophobicContact CE2-CG 3.95Å; F657-P659 HydrophobicContact CG-CG 4.42Å; F657-P659 HydrophobicContact CZ-CB 3.66Å; F657-P659 HydrophobicContact CZ-CG 3.54Å; F657-I685 HydrophobicContact CD1-CG2 4.32Å
658	E	95.2	Very high	96.2	Very high	31 Å²	31	42.3 Å²	42.3	15%	0.145	20%	0.2	C	C	.	.			trans	-136.6	57.7	-177.7	54.9	169.2	165.2	0	0	113.4	W630 G633 H634 D656 K681 V682	W630-E658 PolarHBondContact NE1-OE1 2.99Å; G633-E658 PolarHBondContact O-N 3.47Å; H634-E658 PolarHBondContact CE1-O 2.64Å; D656-E658 PolarHBondContact O-N 2.84Å; E658-K681 HydrophobicContact CB-CB 4.08Å; E658-K681 WeakPolarHBondContact OE2-CE 3.38Å; E658-K681 IonicContact OE2-NZ 3.07Å; E658-V682 HydrophobicContact CB-CG2 4.01Å; E658-V682 HydrophobicContact CG-CG2 4.48Å
659	P	97.2	Very high	96.2	Very high	6 Å²	6	46.2 Å²	46.2	4%	0.039	22%	0.215	C	C	.	.			trans	-66	162.4	177.8	32.2	-37.9	0	0	0	112.4	I593 F657 V661 I685	I593-P659 HydrophobicContact CB-CB 4.47Å; I593-P659 HydrophobicContact CD1-CB 4.19Å; I593-P659 HydrophobicContact CD1-CG 4.34Å; I593-P659 HydrophobicContact CG1-CB 3.89Å; I593-P659 HydrophobicContact CG1-CG 4.21Å; I593-P659 HydrophobicContact CG2-CB 3.86Å; F657-P659 HydrophobicContact CD1-CG 4.04Å; F657-P659 HydrophobicContact CD2-CG 4.38Å; F657-P659 HydrophobicContact CE1-CB 4.25Å; F657-P659 HydrophobicContact CE1-CG 3.6Å; F657-P659 HydrophobicContact CE2-CB 3.88Å; F657-P659 HydrophobicContact CE2-CG 3.95Å; F657-P659 HydrophobicContact CG-CG 4.42Å; F657-P659 HydrophobicContact CZ-CB 3.66Å; F657-P659 HydrophobicContact CZ-CG 3.54Å; P659-V661 HydrophobicContact CB-CG1 4.1Å; P659-V661 HydrophobicContact CG-CG1 3.82Å; P659-I685 HydrophobicContact CG-CD1 3.95Å; P659-I685 HydrophobicContact CG-CG1 4.36Å; P659-I685 HydrophobicContact CG-CG2 4.34Å
660	Y	98.3	Very high	96.2	Very high	3 Å²	3	46 Å²	46	1%	0.012	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	124.4	166.1	-59.5	-79.8	0	0	0	109	D563 F566 I593 V594 A596 F625 K681 M703	D563-Y660 HydrophobicContact CB-CE1 4.18Å; D563-Y660 PolarHBondContact OD2-OH 3.28Å; F566-Y660 HydrophobicContact CD2-CE1 4.3Å; F566-Y660 HydrophobicContact CD2-CE2 4.47Å; F566-Y660 AromaticContact CE1-CE2 3.93Å; F566-Y660 HydrophobicContact CE1-CE2 3.93Å; F566-Y660 AromaticContact CE2-CE1 3.91Å; F566-Y660 HydrophobicContact CE2-CE1 3.91Å; F566-Y660 AromaticContact CE2-CE2 3.69Å; F566-Y660 HydrophobicContact CE2-CE2 3.69Å; F566-Y660 AromaticContact CE2-CZ 3.23Å; F566-Y660 WeakPolarHBondContact CE2-OH 3.37Å; F566-Y660 HydrophobicContact CZ-CD2 4.35Å; F566-Y660 HydrophobicContact CZ-CE1 4.44Å; F566-Y660 AromaticContact CZ-CE2 3.36Å; F566-Y660 HydrophobicContact CZ-CE2 3.36Å; F566-Y660 AromaticContact CZ-CZ 3.42Å; F566-Y660 VanDerWaalsContact CZ-CZ 3.42Å; F566-Y660 VanDerWaalsContact CZ-OH 3.23Å; F566-Y660 WeakPolarHBondContact CZ-OH 3.49Å; I593-Y660 WeakPolarHBondContact CA-O 3.38Å; V594-Y660 PolarHBondContact N-O 3.16Å; A596-Y660 HydrophobicContact CB-CD2 3.65Å; A596-Y660 HydrophobicContact CB-CE2 3.66Å; F625-Y660 HydrophobicContact CD1-CE2 4.11Å; F625-Y660 HydrophobicContact CE1-CE2 4.12Å; F625-Y660 VanDerWaalsContact CE1-OH 3.27Å; F625-Y660 WeakPolarHBondContact CE1-OH 3.42Å; Y660-K681 HydrophobicContact CE1-CD 4.31Å; Y660-K681 PolarHBondContact OH-NZ 2.87Å; Y660-M703 HydrophobicContact CD1-CE 4.41Å; Y660-M703 HydrophobicContact CD2-CE 4.41Å; Y660-M703 HydrophobicContact CD2-SD 3.75Å; Y660-M703 HydrophobicContact CG-CE 4.1Å; Y660-M703 HydrophobicContact CG-SD 3.72Å
661	V	98.5	Very high	96.1	Very high	1 Å²	1	41.4 Å²	41.4	1%	0.006	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	147.1	-165.9	-63.5	0	0	0	0	112.5	L561 A591 M592 I593 P659 V663 I685 L688	L561-V661 HydrophobicContact CD1-CG2 4.23Å; L561-V661 PolarHBondContact N-O 3.17Å; A591-V661 HydrophobicContact CB-CB 4.22Å; A591-V661 HydrophobicContact CB-CG1 4.2Å; M592-V661 CarbonylContact O-C 3.58Å; M592-V661 VanDerWaalsContact O-CA 3.25Å; M592-V661 WeakPolarHBondContact O-CA 3.37Å; I593-V661 HydrophobicContact CG1-CG1 3.93Å; P659-V661 HydrophobicContact CB-CG1 4.1Å; P659-V661 HydrophobicContact CG-CG1 3.82Å; V661-V663 HydrophobicContact CB-CG1 4.28Å; V661-V663 HydrophobicContact CG2-CG1 3.93Å; V661-I685 HydrophobicContact CG1-CD1 4.18Å; V661-I685 HydrophobicContact CG2-CD1 4.11Å; V661-L688 HydrophobicContact CG2-CD1 4.29Å
662	V	98.7	Very high	96	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	125.6	163.3	-174.6	0	0	0	0	108.3	V474 M559 F560 L576 M592 V594	V474-V662 HydrophobicContact CG1-CG1 3.83Å; V474-V662 HydrophobicContact CG2-CG1 4.3Å; M559-V662 VanDerWaalsContact O-CA 3.25Å; M559-V662 WeakPolarHBondContact O-CA 3.47Å; F560-V662 HydrophobicContact CB-CG2 3.92Å; F560-V662 HydrophobicContact CD2-CG2 3.67Å; F560-V662 HydrophobicContact CE2-CG2 4.47Å; F560-V662 HydrophobicContact CG-CG2 3.98Å; L576-V662 HydrophobicContact CD1-CG2 3.78Å; L576-V662 HydrophobicContact CD2-CG2 3.75Å; L576-V662 HydrophobicContact CG-CG2 4.32Å; M592-V662 HydrophobicContact CB-CB 4.2Å; M592-V662 HydrophobicContact CE-CB 3.66Å; M592-V662 HydrophobicContact CE-CG1 3.62Å; M592-V662 HydrophobicContact CE-CG2 4.25Å; M592-V662 PolarHBondContact N-O 3.21Å; M592-V662 PolarHBondContact O-N 3.43Å; V594-V662 HydrophobicContact CG2-CG2 4.37Å
663	V	98.3	Very high	96	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	161.1	-175.3	-70.8	0	0	0	0	110.4	Y558 M559 L561 A591 V661 C667 L688	Y558-V663 WeakPolarHBondContact CA-O 3.38Å; M559-V663 HydrophobicContact CG-CG2 3.97Å; M559-V663 PolarHBondContact N-O 2.7Å; M559-V663 PolarHBondContact O-N 3.46Å; L561-V663 HydrophobicContact CD1-CG2 3.74Å; L561-V663 HydrophobicContact CG-CG2 4.23Å; A591-V663 HydrophobicContact CB-CG1 3.72Å; V661-V663 HydrophobicContact CB-CG1 4.28Å; V661-V663 HydrophobicContact CG2-CG1 3.93Å; V663-C667 HydrophobicContact CB-CB 4.32Å; V663-C667 HydrophobicContact CG2-CB 4.02Å; V663-L688 HydrophobicContact CG1-CD1 4.15Å
664	R	97.4	Very high	96.1	Very high	72 Å²	72	38.4 Å²	38.4	27%	0.272	18%	0.181	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	153.1	172.3	-162.7	173.4	65.3	-178.3	-0.9	110.3	Y558 A586 D666 C667	Y558-R664 HydrophobicContact CD1-CB 4.08Å; Y558-R664 HydrophobicContact CD1-CG 4.21Å; Y558-R664 HydrophobicContact CE1-CB 4.07Å; Y558-R664 HydrophobicContact CE1-CG 3.93Å; A586-R664 PolarHBondContact O-NH1 3.19Å; R664-D666 WeakPolarHBondContact CB-OD1 3.25Å; R664-D666 WeakPolarHBondContact CG-OD1 3.48Å; R664-D666 IonicContact CZ-OD1 2.64Å; R664-D666 IonicContact CZ-OD2 3.49Å; R664-D666 VanDerWaalsContact CZ-OD2 3.23Å; R664-D666 VanDerWaalsContact NE-CG 3.33Å; R664-D666 IonicContact NE-OD1 2.65Å; R664-D666 PolarHBondContact NE-OD1 2.87Å; R664-D666 IonicContact NE-OD2 3.36Å; R664-D666 PolarHBondContact NE-OD2 3.36Å; R664-D666 IonicContact NH2-OD1 3.01Å; R664-D666 PolarHBondContact NH2-OD1 3.3Å; R664-D666 IonicContact NH2-OD2 3.4Å; R664-D666 PolarHBondContact NH2-OD2 3.19Å; R664-D666 PolarHBondContact O-N 3.16Å; R664-D666 VanDerWaalsContact O-N 3.08Å; R664-C667 PolarHBondContact O-N 3.15Å
665	R	95.9	Very high	96.2	Very high	150 Å²	150	33.5 Å²	33.5	57%	0.566	16%	0.159	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.6	-16	-173.1	64.8	169.7	-79.2	172.8	-3.3	116.3	I554 P557 M559 C667	I554-R665 HydrophobicContact CD1-CB 3.99Å; P557-R665 WeakPolarHBondContact O-CB 3.25Å; P557-R665 PolarHBondContact O-N 2.8Å; M559-R665 HydrophobicContact CE-CB 4.12Å; R665-C667 VanDerWaalsContact C-N 3.32Å
666	D	94.6	Very high	96.3	Very high	87 Å²	87	31.4 Å²	31.4	47%	0.465	14%	0.142	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.6	17.8	-179.3	66.5	-27.5	0	0	0	112.9	R664	R664-D666 WeakPolarHBondContact CB-OD1 3.25Å; R664-D666 WeakPolarHBondContact CG-OD1 3.48Å; R664-D666 IonicContact CZ-OD1 2.64Å; R664-D666 IonicContact CZ-OD2 3.49Å; R664-D666 VanDerWaalsContact CZ-OD2 3.23Å; R664-D666 VanDerWaalsContact NE-CG 3.33Å; R664-D666 IonicContact NE-OD1 2.65Å; R664-D666 PolarHBondContact NE-OD1 2.87Å; R664-D666 IonicContact NE-OD2 3.36Å; R664-D666 PolarHBondContact NE-OD2 3.36Å; R664-D666 IonicContact NH2-OD1 3.01Å; R664-D666 PolarHBondContact NH2-OD1 3.3Å; R664-D666 IonicContact NH2-OD2 3.4Å; R664-D666 PolarHBondContact NH2-OD2 3.19Å; R664-D666 PolarHBondContact O-N 3.16Å; R664-D666 VanDerWaalsContact O-N 3.08Å
667	C	96.3	Very high	96.4	Very high	12 Å²	12	33.5 Å²	33.5	8%	0.081	15%	0.15	C	C	.	.	S	Bend	trans	-62.4	156.6	169.5	68.7	0	0	0	0	111.4	M551 V663 R664 R665 L688	M551-C667 VanDerWaalsContact CE-SG 3.59Å; V663-C667 HydrophobicContact CB-CB 4.32Å; V663-C667 HydrophobicContact CG2-CB 4.02Å; R664-C667 PolarHBondContact O-N 3.15Å; R665-C667 VanDerWaalsContact C-N 3.32Å; C667-L688 HydrophobicContact CB-CD2 4.14Å
668	P	96.9	Very high	96.2	Very high	15 Å²	15	34 Å²	34	10%	0.097	16%	0.156	C	C	.	.	P	Polyproline II helix	trans	-58	147.9	173.9	24.5	-35.3	0	0	0	111.7	H684 E687 L688	P668-H684 PolarHBondContact O-CD2 3.38Å; P668-H684 VanDerWaalsContact O-CD2 3.31Å; P668-H684 PolarHBondContact O-NE2 3.19Å; P668-E687 HydrophobicContact CB-CG 3.96Å; P668-E687 HydrophobicContact CG-CB 4.31Å; P668-E687 HydrophobicContact CG-CG 3.91Å; P668-L688 HydrophobicContact CG-CD2 3.83Å
669	E	97.2	Very high	96.1	Very high	111 Å²	111	34.2 Å²	34.2	52%	0.519	16%	0.155	S	C	.	.	P	Polyproline II helix	trans	-69.7	157.9	170	-71.2	-167	174.7	0	0	111.3	N548	N548-E669 PolarHBondContact ND2-OE2 3.4Å
670	Y	98.1	Very high	96	Very high	12 Å²	12	34.8 Å²	34.8	5%	0.047	16%	0.158	C	C	.	.	P	Polyproline II helix	trans	-69.8	133.1	171.4	-70.9	-98.7	0	0	0	110.8	R547 N548 M551 L561 R672 K681 H684	R547-Y670 HydrophobicContact CB-CD2 3.59Å; R547-Y670 HydrophobicContact CB-CE2 3.87Å; R547-Y670 HydrophobicContact CB-CG 4.13Å; R547-Y670 HydrophobicContact CG-CD2 4.33Å; R547-Y670 HydrophobicContact CG-CE2 4.28Å; N548-Y670 PolarHBondContact ND2-O 2.93Å; N548-Y670 WeakPolarHBondContact OD1-CB 3.45Å; N548-Y670 PolarHBondContact OD1-N 2.82Å; M551-Y670 HydrophobicContact SD-CD2 3.49Å; M551-Y670 WeakPolarHBondContact SD-CD2 3.41Å; M551-Y670 HydrophobicContact SD-CE2 3.47Å; M551-Y670 WeakPolarHBondContact SD-CE2 3.27Å; L561-Y670 HydrophobicContact CD1-CE2 4.29Å; L561-Y670 HydrophobicContact CD2-CE2 4.42Å; Y670-R672 PolarHBondContact O-N 3.45Å; Y670-K681 HydrophobicContact CE1-CG 4.32Å; Y670-H684 HydrophobicContact CD1-CB 3.5Å; Y670-H684 VanDerWaalsContact CD1-CB 3.5Å; Y670-H684 AromaticContact CD1-CG 3.82Å; Y670-H684 HydrophobicContact CE1-CB 3.44Å; Y670-H684 VanDerWaalsContact CE1-CB 3.44Å; Y670-H684 AromaticContact CE1-CG 3.56Å; Y670-H684 AromaticContact CE1-ND1 3.86Å; Y670-H684 HydrophobicContact CG-CB 4.23Å; Y670-H684 AromaticContact CZ-CG 3.74Å; Y670-H684 AromaticContact CZ-ND1 3.66Å
671	D	97.3	Very high	95.9	Very high	24 Å²	24	35.7 Å²	35.7	13%	0.128	16%	0.162	C	C	.	.	P	Polyproline II helix	trans	-66.3	120.2	-179.9	-169.3	-48.3	0	0	0	111.3	N544 R673 F674 F734	N544-D671 PolarHBondContact ND2-O 3.49Å; D671-R673 VanDerWaalsContact CG-NE 3.25Å; D671-R673 PolarHBondContact O-N 3.42Å; D671-R673 WeakPolarHBondContact OD1-CB 3.36Å; D671-R673 WeakPolarHBondContact OD1-CG 3.35Å; D671-R673 IonicContact OD1-CZ 2.86Å; D671-R673 PolarHBondContact OD1-N 3.06Å; D671-R673 IonicContact OD1-NE 3.85Å; D671-R673 PolarHBondContact OD1-NE 2.88Å; D671-R673 IonicContact OD2-CZ 2.74Å; D671-R673 VanDerWaalsContact OD2-CZ 3.31Å; D671-R673 IonicContact OD2-NE 3.6Å; D671-R673 PolarHBondContact OD2-NE 3.11Å; D671-R673 IonicContact OD2-NH2 3.19Å; D671-R673 PolarHBondContact OD2-NH2 3.12Å; D671-F674 HydrophobicContact CB-CD2 4.19Å; D671-F674 HydrophobicContact CB-CE2 4.34Å; D671-F674 PolarHBondContact O-N 3.02Å; D671-F734 HydrophobicContact CB-CD2 4.24Å; D671-F734 HydrophobicContact CB-CE2 4.02Å; D671-F734 WeakPolarHBondContact OD2-CD2 3.32Å
672	R	96.1	Very high	95.8	Very high	88 Å²	88	36 Å²	36	33%	0.332	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.9	-6.9	-174.4	-69.4	179.2	57.7	-179.8	-2.2	114.6	R450 T452 Y670 F674	R450-R672 HydrophobicContact CG-CB 4.45Å; R450-R672 PolarHBondContact O-NH2 2.88Å; R450-R672 VanDerWaalsContact O-NH2 3.09Å; T452-R672 PolarHBondContact O-NH2 3.27Å; Y670-R672 PolarHBondContact O-N 3.45Å; R672-F674 PolarHBondContact O-N 2.95Å
673	R	95.6	Very high	95.7	Very high	9 Å²	9	36 Å²	36	3%	0.034	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-26.2	174.1	81.5	-173.7	70.7	-165.7	4.5	112.5	D671 V675 D737	D671-R673 VanDerWaalsContact CG-NE 3.25Å; D671-R673 PolarHBondContact O-N 3.42Å; D671-R673 WeakPolarHBondContact OD1-CB 3.36Å; D671-R673 WeakPolarHBondContact OD1-CG 3.35Å; D671-R673 IonicContact OD1-CZ 2.86Å; D671-R673 PolarHBondContact OD1-N 3.06Å; D671-R673 IonicContact OD1-NE 3.85Å; D671-R673 PolarHBondContact OD1-NE 2.88Å; D671-R673 IonicContact OD2-CZ 2.74Å; D671-R673 VanDerWaalsContact OD2-CZ 3.31Å; D671-R673 IonicContact OD2-NE 3.6Å; D671-R673 PolarHBondContact OD2-NE 3.11Å; D671-R673 IonicContact OD2-NH2 3.19Å; D671-R673 PolarHBondContact OD2-NH2 3.12Å; R673-V675 PolarHBondContact O-N 3.17Å; R673-D737 IonicContact CZ-OD2 2.67Å; R673-D737 VanDerWaalsContact CZ-OD2 3.3Å; R673-D737 IonicContact NH1-OD2 3.68Å; R673-D737 PolarHBondContact NH1-OD2 3.23Å; R673-D737 IonicContact NH2-OD2 3.26Å; R673-D737 PolarHBondContact NH2-OD2 3.05Å
674	F	96.6	Very high	95.6	Very high	0 Å²	0	36 Å²	36	0%	0	16%	0.164	C	C	.	.			trans	-90.2	83.3	-179.9	-57.2	-68.9	0	0	0	111	D671 R672 W679 N680 A683 L727 L730 F734	D671-F674 HydrophobicContact CB-CD2 4.19Å; D671-F674 HydrophobicContact CB-CE2 4.34Å; D671-F674 PolarHBondContact O-N 3.02Å; R672-F674 PolarHBondContact O-N 2.95Å; F674-W679 HydrophobicContact CD1-CB 3.7Å; F674-W679 HydrophobicContact CE1-CB 3.73Å; F674-W679 HydrophobicContact CE1-CE3 4.44Å; F674-W679 HydrophobicContact CE1-CG 4.49Å; F674-W679 HydrophobicContact CG-CB 4.29Å; F674-W679 HydrophobicContact CZ-CB 4.34Å; F674-W679 HydrophobicContact CZ-CE3 4.12Å; F674-N680 PolarHBondContact O-ND2 3.49Å; F674-A683 HydrophobicContact CD2-CB 3.86Å; F674-A683 HydrophobicContact CE2-CB 3.54Å; F674-A683 HydrophobicContact CZ-CB 4.37Å; F674-L727 HydrophobicContact CD1-CD1 4.03Å; F674-L727 HydrophobicContact CE1-CD1 4.43Å; F674-L730 HydrophobicContact CE1-CB 3.92Å; F674-F734 HydrophobicContact CE2-CB 4.1Å; F674-F734 HydrophobicContact CE2-CD2 4.02Å; F674-F734 AromaticContact CE2-CG 3.98Å; F674-F734 HydrophobicContact CE2-CG 3.98Å; F674-F734 HydrophobicContact CZ-CB 3.8Å; F674-F734 HydrophobicContact CZ-CG 4.12Å
675	V	94.6	Very high	95.7	Very high	6 Å²	6	32.8 Å²	32.8	4%	0.036	15%	0.152	C	C	.	.			trans	-87.9	158.1	169.3	-58.5	0	0	0	0	111	F446 E449 F540 R673	F446-V675 HydrophobicContact CB-CG2 4.49Å; F446-V675 HydrophobicContact CD1-CG2 3.48Å; F446-V675 VanDerWaalsContact CD1-CG2 3.48Å; F446-V675 HydrophobicContact CE1-CG2 3.88Å; F446-V675 HydrophobicContact CG-CG2 4.08Å; E449-V675 HydrophobicContact CB-CG1 4.38Å; E449-V675 HydrophobicContact CB-CG2 4.34Å; F540-V675 HydrophobicContact CB-CB 4.09Å; F540-V675 HydrophobicContact CB-CG2 3.94Å; F540-V675 HydrophobicContact CD2-CG2 3.81Å; F540-V675 HydrophobicContact CG-CG2 3.97Å; R673-V675 PolarHBondContact O-N 3.17Å
676	G	93.7	Very high	95.7	Very high	7 Å²	7	25.9 Å²	25.9	7%	0.072	13%	0.126	C	C	.	.	S	Bend	trans	64.3	-142.2	-178.9	0	0	0	0	0	113.4	Y541 N680 D713	Y541-G676 WeakPolarHBondContact O-CA 3.31Å; Y541-G676 PolarHBondContact O-N 3.4Å; G676-N680 PolarHBondContact O-ND2 2.76Å; G676-N680 PolarHBondContact O-OD1 2.95Å; G676-D713 WeakPolarHBondContact CA-OD2 3.19Å
677	F	92.5	Very high	95.7	Very high	70 Å²	70	22.3 Å²	22.3	31%	0.307	11%	0.107	S	C	.	.	S	Bend	trans	-92.9	129.9	-177.8	-179.9	-90.4	0	0	0	112.5	D713 I714 F717 Y723	F677-D713 HydrophobicContact CB-CB 4.01Å; F677-I714 HydrophobicContact CD1-CG1 4.41Å; F677-I714 HydrophobicContact CD2-CB 3.97Å; F677-I714 HydrophobicContact CD2-CD1 4.31Å; F677-I714 HydrophobicContact CD2-CG1 4.09Å; F677-I714 HydrophobicContact CE1-CG1 4.34Å; F677-I714 HydrophobicContact CE2-CB 4.37Å; F677-I714 HydrophobicContact CE2-CD1 3.84Å; F677-I714 HydrophobicContact CE2-CG1 4.01Å; F677-I714 HydrophobicContact CG-CB 4.13Å; F677-I714 HydrophobicContact CG-CG1 4.29Å; F677-I714 HydrophobicContact CZ-CD1 4.08Å; F677-I714 HydrophobicContact CZ-CG1 4.14Å; F677-F717 HydrophobicContact CD1-CB 3.85Å; F677-F717 AromaticContact CD1-CD1 3.75Å; F677-F717 HydrophobicContact CD1-CD1 3.75Å; F677-F717 HydrophobicContact CD1-CD2 4.08Å; F677-F717 HydrophobicContact CD1-CE1 4.34Å; F677-F717 AromaticContact CD1-CG 3.61Å; F677-F717 HydrophobicContact CD1-CG 3.61Å; F677-F717 AromaticContact CE1-CD1 3.71Å; F677-F717 HydrophobicContact CE1-CD1 3.71Å; F677-F717 AromaticContact CE1-CE1 3.92Å; F677-F717 HydrophobicContact CE1-CE1 3.92Å; F677-F717 HydrophobicContact CE1-CG 4.05Å; F677-F717 HydrophobicContact CE1-CZ 4.42Å; F677-Y723 PolarHBondContact N-OH 3.2Å; F677-Y723 WeakPolarHBondContact O-CE1 3.35Å; F677-Y723 PolarHBondContact O-OH 3.02Å
678	G	91.7	Very high	95.8	Very high	11 Å²	11	21.8 Å²	21.8	11%	0.113	10%	0.103	C	C	.	.	S	Bend	trans	113.7	140.7	166.1	0	0	0	0	0	113.2	N680	G678-N680 WeakPolarHBondContact CA-OD1 3.48Å; G678-N680 PolarHBondContact N-OD1 3.44Å; G678-N680 PolarHBondContact O-N 3.15Å; G678-N680 PolarHBondContact O-OD1 2.88Å; G678-N680 VanDerWaalsContact O-OD1 3.07Å
679	W	93.6	Very high	95.8	Very high	34 Å²	34	21.9 Å²	21.9	13%	0.129	10%	0.103	C	C	.	.	S	Bend	trans	58.7	9.9	176.3	-92.1	66.3	0	0	0	116.6	F674 V682 A683 M686 L727 K731 F734	F674-W679 HydrophobicContact CD1-CB 3.7Å; F674-W679 HydrophobicContact CE1-CB 3.73Å; F674-W679 HydrophobicContact CE1-CE3 4.44Å; F674-W679 HydrophobicContact CE1-CG 4.49Å; F674-W679 HydrophobicContact CG-CB 4.29Å; F674-W679 HydrophobicContact CZ-CB 4.34Å; F674-W679 HydrophobicContact CZ-CE3 4.12Å; W679-V682 HydrophobicContact CD2-CG1 4.37Å; W679-V682 HydrophobicContact CE3-CG1 4.48Å; W679-V682 HydrophobicContact CH2-CG1 4.13Å; W679-V682 HydrophobicContact CZ2-CG1 3.97Å; W679-V682 HydrophobicContact CZ3-CG1 4.39Å; W679-A683 HydrophobicContact CE3-CB 4.38Å; W679-A683 WeakPolarHBondContact O-CB 3.37Å; W679-A683 PolarHBondContact O-N 3.46Å; W679-M686 HydrophobicContact CH2-CE 3.71Å; W679-M686 HydrophobicContact CZ3-CE 4.14Å; W679-M686 HydrophobicContact CZ3-SD 4.45Å; W679-L727 HydrophobicContact CB-CD1 4.14Å; W679-K731 HydrophobicContact CD2-CB 4.03Å; W679-K731 HydrophobicContact CD2-CD 4.06Å; W679-K731 HydrophobicContact CD2-CG 3.98Å; W679-K731 VanDerWaalsContact CE2-CD 3.44Å; W679-K731 HydrophobicContact CE3-CB 4.01Å; W679-K731 HydrophobicContact CE3-CD 4.4Å; W679-K731 HydrophobicContact CE3-CG 3.87Å; W679-K731 HydrophobicContact CH2-CD 3.69Å; W679-K731 HydrophobicContact CH2-CG 3.59Å; W679-K731 HydrophobicContact CZ2-CD 3.29Å; W679-K731 HydrophobicContact CZ2-CG 3.72Å; W679-K731 VanDerWaalsContact CZ2-NZ 3.29Å; W679-K731 HydrophobicContact CZ3-CB 4.28Å; W679-K731 HydrophobicContact CZ3-CD 4.22Å; W679-K731 HydrophobicContact CZ3-CG 3.66Å; W679-F734 HydrophobicContact CZ3-CD1 4.32Å
680	N	94.2	Very high	95.7	Very high	19 Å²	19	17 Å²	17	10%	0.102	8%	0.08	C	C	.	.	H	α-helix	trans	-68.7	-59.8	-177.2	-39.9	89	0	0	0	111.8	V543 N544 F674 G676 G678	V543-N680 HydrophobicContact CG1-CB 3.92Å; V543-N680 WeakPolarHBondContact CG1-ND2 3.36Å; N544-N680 WeakPolarHBondContact OD1-CB 3.33Å; F674-N680 PolarHBondContact O-ND2 3.49Å; G676-N680 PolarHBondContact O-ND2 2.76Å; G676-N680 PolarHBondContact O-OD1 2.95Å; G678-N680 WeakPolarHBondContact CA-OD1 3.48Å; G678-N680 PolarHBondContact N-OD1 3.44Å; G678-N680 PolarHBondContact O-N 3.15Å; G678-N680 PolarHBondContact O-OD1 2.88Å; G678-N680 VanDerWaalsContact O-OD1 3.07Å
681	K	95.6	Very high	95.5	Very high	21 Å²	21	18 Å²	18	9%	0.091	9%	0.086	C	C	.	.	H	α-helix	trans	-77.6	-38.5	179.6	-67.9	-179.8	-62.5	-172.1	0	112.3	D563 E658 Y660 Y670 A683 H684 I685	D563-K681 IonicContact OD2-NZ 3.46Å; D563-K681 PolarHBondContact OD2-NZ 2.85Å; E658-K681 HydrophobicContact CB-CB 4.08Å; E658-K681 WeakPolarHBondContact OE2-CE 3.38Å; E658-K681 IonicContact OE2-NZ 3.07Å; Y660-K681 HydrophobicContact CE1-CD 4.31Å; Y660-K681 PolarHBondContact OH-NZ 2.87Å; Y670-K681 HydrophobicContact CE1-CG 4.32Å; K681-A683 VanDerWaalsContact C-N 3.29Å; K681-A683 PolarHBondContact O-N 2.89Å; K681-H684 WeakPolarHBondContact O-CB 3.47Å; K681-H684 PolarHBondContact O-N 3.12Å; K681-H684 VanDerWaalsContact O-N 3.1Å; K681-I685 WeakPolarHBondContact O-CG1 3.38Å; K681-I685 PolarHBondContact O-N 3.27Å
682	V	96.2	Very high	95.4	Very high	7 Å²	7	24.2 Å²	24.2	4%	0.042	11%	0.114	C	C	.	.	H	α-helix	trans	-55.1	-44.8	179.1	178.1	0	0	0	0	111.3	E658 W679 H684 I685 M686	E658-V682 HydrophobicContact CB-CG2 4.01Å; E658-V682 HydrophobicContact CG-CG2 4.48Å; W679-V682 HydrophobicContact CD2-CG1 4.37Å; W679-V682 HydrophobicContact CE3-CG1 4.48Å; W679-V682 HydrophobicContact CH2-CG1 4.13Å; W679-V682 HydrophobicContact CZ2-CG1 3.97Å; W679-V682 HydrophobicContact CZ3-CG1 4.39Å; V682-H684 PolarHBondContact O-N 2.93Å; V682-I685 PolarHBondContact O-N 2.9Å; V682-M686 WeakPolarHBondContact O-CB 3.39Å; V682-M686 PolarHBondContact O-N 3.23Å
683	A	96.7	Very high	95.4	Very high	1 Å²	1	20.5 Å²	20.5	1%	0.008	10%	0.1	C	C	.	.	H	α-helix	trans	-61.6	-43.6	177.2	0	0	0	0	0	112.4	F674 W679 K681 M686 E687 F734	F674-A683 HydrophobicContact CD2-CB 3.86Å; F674-A683 HydrophobicContact CE2-CB 3.54Å; F674-A683 HydrophobicContact CZ-CB 4.37Å; W679-A683 HydrophobicContact CE3-CB 4.38Å; W679-A683 WeakPolarHBondContact O-CB 3.37Å; W679-A683 PolarHBondContact O-N 3.46Å; K681-A683 VanDerWaalsContact C-N 3.29Å; K681-A683 PolarHBondContact O-N 2.89Å; A683-M686 PolarHBondContact O-N 3.01Å; A683-E687 PolarHBondContact O-N 3.23Å; A683-F734 HydrophobicContact CB-CD1 4.23Å; A683-F734 HydrophobicContact CB-CE1 3.81Å; A683-F734 HydrophobicContact CB-CE2 4.21Å; A683-F734 HydrophobicContact CB-CZ 3.8Å; A683-F734 WeakPolarHBondContact O-CZ 3.42Å
684	H	97.6	Very high	95.5	Very high	1 Å²	1	23.2 Å²	23.2	1%	0.005	11%	0.113	C	C	.	.	H	α-helix	trans	-63.9	-44.5	177.9	-177.7	-103.7	0	0	0	112.4	P668 Y670 K681 V682 M686 E687 L688	P668-H684 PolarHBondContact O-CD2 3.38Å; P668-H684 VanDerWaalsContact O-CD2 3.31Å; P668-H684 PolarHBondContact O-NE2 3.19Å; Y670-H684 HydrophobicContact CD1-CB 3.5Å; Y670-H684 VanDerWaalsContact CD1-CB 3.5Å; Y670-H684 AromaticContact CD1-CG 3.82Å; Y670-H684 HydrophobicContact CE1-CB 3.44Å; Y670-H684 VanDerWaalsContact CE1-CB 3.44Å; Y670-H684 AromaticContact CE1-CG 3.56Å; Y670-H684 AromaticContact CE1-ND1 3.86Å; Y670-H684 HydrophobicContact CG-CB 4.23Å; Y670-H684 AromaticContact CZ-CG 3.74Å; Y670-H684 AromaticContact CZ-ND1 3.66Å; K681-H684 WeakPolarHBondContact O-CB 3.47Å; K681-H684 PolarHBondContact O-N 3.12Å; K681-H684 VanDerWaalsContact O-N 3.1Å; V682-H684 PolarHBondContact O-N 2.93Å; H684-M686 VanDerWaalsContact C-N 3.35Å; H684-M686 PolarHBondContact O-N 3.29Å; H684-E687 PolarHBondContact O-N 3Å; H684-E687 VanDerWaalsContact O-N 3.12Å; H684-L688 PolarHBondContact O-N 3.2Å
685	I	97.6	Very high	95.6	Very high	3 Å²	3	23.4 Å²	23.4	2%	0.015	11%	0.114	C	C	.	.	H	α-helix	trans	-66.2	-38	178.1	-63	-64.3	0	0	0	111.4	F657 P659 V661 K681 V682 E687 L688 D689 F695	F657-I685 HydrophobicContact CD1-CG2 4.32Å; P659-I685 HydrophobicContact CG-CD1 3.95Å; P659-I685 HydrophobicContact CG-CG1 4.36Å; P659-I685 HydrophobicContact CG-CG2 4.34Å; V661-I685 HydrophobicContact CG1-CD1 4.18Å; V661-I685 HydrophobicContact CG2-CD1 4.11Å; K681-I685 WeakPolarHBondContact O-CG1 3.38Å; K681-I685 PolarHBondContact O-N 3.27Å; V682-I685 PolarHBondContact O-N 2.9Å; I685-E687 VanDerWaalsContact C-N 3.28Å; I685-E687 PolarHBondContact O-N 3.41Å; I685-L688 HydrophobicContact CD1-CD1 4.08Å; I685-L688 PolarHBondContact O-N 2.93Å; I685-D689 PolarHBondContact O-N 3.28Å; I685-F695 HydrophobicContact CG2-CE1 3.98Å; I685-F695 HydrophobicContact CG2-CZ 4.03Å
686	M	96	Very high	95.8	Very high	5 Å²	5	23.6 Å²	23.6	3%	0.025	12%	0.115	C	C	.	.	H	α-helix	trans	-61.3	-37	171.8	-179.4	179.7	-71.4	0	0	111.8	W653 W679 V682 A683 H684 D689 V690 F734 Q735 Y749	W653-M686 HydrophobicContact CH2-CE 3.9Å; W653-M686 HydrophobicContact CZ2-CB 4.29Å; W653-M686 HydrophobicContact CZ2-CE 3.64Å; W653-M686 HydrophobicContact CZ2-CG 4.28Å; W679-M686 HydrophobicContact CH2-CE 3.71Å; W679-M686 HydrophobicContact CZ3-CE 4.14Å; W679-M686 HydrophobicContact CZ3-SD 4.45Å; V682-M686 WeakPolarHBondContact O-CB 3.39Å; V682-M686 PolarHBondContact O-N 3.23Å; A683-M686 PolarHBondContact O-N 3.01Å; H684-M686 VanDerWaalsContact C-N 3.35Å; H684-M686 PolarHBondContact O-N 3.29Å; M686-D689 PolarHBondContact O-N 3.12Å; M686-V690 PolarHBondContact O-N 3.3Å; M686-F734 HydrophobicContact CG-CE1 4.45Å; M686-F734 HydrophobicContact SD-CD1 4.32Å; M686-F734 HydrophobicContact SD-CE1 3.91Å; M686-Q735 HydrophobicContact SD-CG 4.24Å; M686-Y749 HydrophobicContact CE-CD1 4.01Å; M686-Y749 HydrophobicContact CE-CG 4.23Å; M686-Y749 HydrophobicContact CG-CD1 3.88Å; M686-Y749 HydrophobicContact CG-CD2 4.07Å; M686-Y749 HydrophobicContact CG-CE1 3.79Å; M686-Y749 HydrophobicContact CG-CE2 3.99Å; M686-Y749 HydrophobicContact CG-CG 4.03Å; M686-Y749 PolarHBondContact O-OH 3.31Å; M686-Y749 HydrophobicContact SD-CD1 4.09Å; M686-Y749 HydrophobicContact SD-CD2 4.18Å; M686-Y749 HydrophobicContact SD-CG 3.87Å
687	E	96.4	Very high	96.1	Very high	13 Å²	13	23.3 Å²	23.3	6%	0.061	11%	0.111	C	C	.	.	H	α-helix	trans	-72.3	-32.4	175.3	-167.9	167.2	-171.5	0	0	113.2	P668 A683 H684 I685 V690 Q691 M738 R741 Y742	P668-E687 HydrophobicContact CB-CG 3.96Å; P668-E687 HydrophobicContact CG-CB 4.31Å; P668-E687 HydrophobicContact CG-CG 3.91Å; A683-E687 PolarHBondContact O-N 3.23Å; H684-E687 PolarHBondContact O-N 3Å; H684-E687 VanDerWaalsContact O-N 3.12Å; I685-E687 VanDerWaalsContact C-N 3.28Å; I685-E687 PolarHBondContact O-N 3.41Å; E687-V690 WeakPolarHBondContact O-CG1 3.27Å; E687-Q691 WeakPolarHBondContact O-CB 3.44Å; E687-Q691 VanDerWaalsContact O-CG 3.28Å; E687-Q691 WeakPolarHBondContact O-CG 3.26Å; E687-Q691 PolarHBondContact O-N 3.48Å; E687-M738 HydrophobicContact CB-CE 3.81Å; E687-M738 HydrophobicContact CB-SD 4.28Å; E687-M738 HydrophobicContact CG-CE 3.85Å; E687-M738 HydrophobicContact CG-SD 4.04Å; E687-R741 IonicContact OE1-NH1 3.63Å; E687-R741 PolarHBondContact OE1-NH1 3.41Å; E687-Y742 HydrophobicContact CG-CE2 4.27Å; E687-Y742 PolarHBondContact OE1-OH 2.9Å; E687-Y742 VanDerWaalsContact OE1-OH 3.06Å
688	L	97.1	Very high	96.4	Very high	0 Å²	0	20 Å²	20	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-63.1	-45.4	168.6	-65.6	-178.9	0	0	0	111.5	A591 V661 V663 C667 P668 H684 I685 V690 Q691 E692 Y693 F695	A591-L688 HydrophobicContact CB-CD1 4.46Å; V661-L688 HydrophobicContact CG2-CD1 4.29Å; V663-L688 HydrophobicContact CG1-CD1 4.15Å; C667-L688 HydrophobicContact CB-CD2 4.14Å; P668-L688 HydrophobicContact CG-CD2 3.83Å; H684-L688 PolarHBondContact O-N 3.2Å; I685-L688 HydrophobicContact CD1-CD1 4.08Å; I685-L688 PolarHBondContact O-N 2.93Å; L688-V690 PolarHBondContact O-N 3.21Å; L688-Q691 CarbonylContact O-C 3.59Å; L688-Q691 PolarHBondContact O-N 3.38Å; L688-E692 PolarHBondContact O-N 2.88Å; L688-Y693 HydrophobicContact CB-CD2 4.25Å; L688-Y693 HydrophobicContact CB-CG 4.2Å; L688-Y693 HydrophobicContact CD2-CD1 4.39Å; L688-Y693 HydrophobicContact CD2-CD2 4Å; L688-Y693 HydrophobicContact CD2-CE1 4.36Å; L688-Y693 HydrophobicContact CD2-CE2 3.95Å; L688-Y693 HydrophobicContact CD2-CG 4.22Å; L688-Y693 WeakPolarHBondContact O-CB 3.44Å; L688-Y693 VanDerWaalsContact O-CD2 3.31Å; L688-Y693 WeakPolarHBondContact O-CD2 3.43Å; L688-Y693 PolarHBondContact O-N 3.33Å; L688-Y693 VanDerWaalsContact O-N 3.1Å; L688-F695 HydrophobicContact CB-CE1 4.36Å; L688-F695 HydrophobicContact CB-CZ 4.13Å
689	D	96.4	Very high	96.6	Very high	18 Å²	18	19.5 Å²	19.5	10%	0.096	9%	0.092	C	C	.	.	H	α-helix	trans	-60.9	-43.9	179.7	-178.7	40.3	0	0	0	112	W653 I685 M686 Q691 E692 F695 K748 Y749	W653-D689 HydrophobicContact CB-CB 4.09Å; W653-D689 VanDerWaalsContact CB-CG 3.42Å; W653-D689 WeakPolarHBondContact CB-OD2 3.46Å; W653-D689 HydrophobicContact CD2-CB 4.38Å; W653-D689 VanDerWaalsContact CD2-OD2 3.27Å; W653-D689 HydrophobicContact CG-CB 3.81Å; W653-D689 VanDerWaalsContact CG-CG 3.48Å; W653-D689 VanDerWaalsContact CG-OD2 3.27Å; I685-D689 PolarHBondContact O-N 3.28Å; M686-D689 PolarHBondContact O-N 3.12Å; D689-Q691 PolarHBondContact O-N 3.42Å; D689-E692 PolarHBondContact O-N 2.96Å; D689-F695 HydrophobicContact CB-CE2 3.73Å; D689-F695 HydrophobicContact CB-CZ 3.92Å; D689-K748 IonicContact OD1-NZ 2.99Å; D689-K748 PolarHBondContact OD1-NZ 3.4Å; D689-K748 WeakPolarHBondContact OD2-CE 3.28Å; D689-K748 IonicContact OD2-NZ 3.03Å; D689-K748 PolarHBondContact OD2-NZ 3.21Å; D689-Y749 WeakPolarHBondContact CB-OH 3.37Å; D689-Y749 VanDerWaalsContact CG-OH 3.31Å; D689-Y749 WeakPolarHBondContact OD2-CE1 3.47Å; D689-Y749 PolarHBondContact OD2-OH 3.46Å
690	V	95.1	Very high	96.8	Very high	7 Å²	7	21.1 Å²	21.1	4%	0.042	10%	0.103	C	C	.	.	H	α-helix	trans	-67	-27.9	178.1	89.1	0	0	0	0	112.8	M686 E687 L688 E692 M738 Y742 A745 A746 Y749	M686-V690 PolarHBondContact O-N 3.3Å; E687-V690 WeakPolarHBondContact O-CG1 3.27Å; L688-V690 PolarHBondContact O-N 3.21Å; V690-E692 PolarHBondContact O-N 2.86Å; V690-M738 HydrophobicContact CB-CE 3.86Å; V690-M738 HydrophobicContact CG1-CE 3.26Å; V690-M738 HydrophobicContact CG2-CE 4.46Å; V690-Y742 HydrophobicContact CB-CD2 4.45Å; V690-Y742 HydrophobicContact CB-CG 4.44Å; V690-Y742 HydrophobicContact CG1-CD1 3.9Å; V690-Y742 HydrophobicContact CG1-CD2 3.38Å; V690-Y742 HydrophobicContact CG1-CE1 4.09Å; V690-Y742 HydrophobicContact CG1-CE2 3.56Å; V690-Y742 HydrophobicContact CG1-CG 3.55Å; V690-Y742 HydrophobicContact CG2-CD2 4.21Å; V690-Y742 HydrophobicContact CG2-CG 3.94Å; V690-A745 HydrophobicContact CG2-CB 3.81Å; V690-A746 HydrophobicContact CG2-CB 3.93Å; V690-Y749 WeakPolarHBondContact CA-OH 3.33Å; V690-Y749 HydrophobicContact CB-CE2 3.8Å; V690-Y749 HydrophobicContact CG2-CE2 3.75Å; V690-Y749 PolarHBondContact N-OH 2.97Å
691	Q	94.6	Very high	97	Very high	35 Å²	35	20.2 Å²	20.2	16%	0.164	10%	0.098	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.1	11.3	176.1	-70.9	-173.3	24.4	0	0	112.7	K589 E687 L688 D689 Y693 Y742	K589-Q691 WeakPolarHBondContact CD-O 3.44Å; K589-Q691 PolarHBondContact NZ-O 3.46Å; E687-Q691 WeakPolarHBondContact O-CB 3.44Å; E687-Q691 VanDerWaalsContact O-CG 3.28Å; E687-Q691 WeakPolarHBondContact O-CG 3.26Å; E687-Q691 PolarHBondContact O-N 3.48Å; L688-Q691 CarbonylContact O-C 3.59Å; L688-Q691 PolarHBondContact O-N 3.38Å; D689-Q691 PolarHBondContact O-N 3.42Å; Q691-Y693 HydrophobicContact CB-CD2 3.93Å; Q691-Y693 HydrophobicContact CB-CE2 4.05Å; Q691-Y742 HydrophobicContact CG-CE1 3.74Å; Q691-Y742 PolarHBondContact NE2-OH 2.89Å
692	E	94.8	Very high	97.1	Very high	153 Å²	153	19.3 Å²	19.3	72%	0.715	9%	0.094	S	C	*	.	T	Hydrogen-bonded Turn	trans	65.7	32.8	176.6	-53	179.2	160.7	0	0	113.5	L688 D689 V690	L688-E692 PolarHBondContact O-N 2.88Å; D689-E692 PolarHBondContact O-N 2.96Å; V690-E692 PolarHBondContact O-N 2.86Å
693	Y	97.3	Very high	97.2	Very high	11 Å²	11	19 Å²	19	4%	0.043	9%	0.092	C	C	.	.			trans	-70.1	132.2	170.1	-81.8	-105.7	0	0	0	110.9	K589 A591 L688 Q691	K589-Y693 HydrophobicContact CB-CD1 4.06Å; K589-Y693 HydrophobicContact CB-CD2 4.19Å; K589-Y693 HydrophobicContact CB-CE1 4.19Å; K589-Y693 HydrophobicContact CB-CE2 4.33Å; K589-Y693 HydrophobicContact CB-CG 4.07Å; K589-Y693 HydrophobicContact CD-CD2 4.2Å; K589-Y693 HydrophobicContact CD-CE2 4.02Å; K589-Y693 HydrophobicContact CG-CE2 4.22Å; K589-Y693 WeakPolarHBondContact O-CA 3.45Å; A591-Y693 HydrophobicContact CB-CD1 4.35Å; L688-Y693 HydrophobicContact CB-CD2 4.25Å; L688-Y693 HydrophobicContact CB-CG 4.2Å; L688-Y693 HydrophobicContact CD2-CD1 4.39Å; L688-Y693 HydrophobicContact CD2-CD2 4Å; L688-Y693 HydrophobicContact CD2-CE1 4.36Å; L688-Y693 HydrophobicContact CD2-CE2 3.95Å; L688-Y693 HydrophobicContact CD2-CG 4.22Å; L688-Y693 WeakPolarHBondContact O-CB 3.44Å; L688-Y693 VanDerWaalsContact O-CD2 3.31Å; L688-Y693 WeakPolarHBondContact O-CD2 3.43Å; L688-Y693 PolarHBondContact O-N 3.33Å; L688-Y693 VanDerWaalsContact O-N 3.1Å; Q691-Y693 HydrophobicContact CB-CD2 3.93Å; Q691-Y693 HydrophobicContact CB-CE2 4.05Å
694	E	98.1	Very high	97.2	Very high	65 Å²	65	19 Å²	19	30%	0.304	9%	0.092	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	129.2	169	-53.5	-169.3	127.5	0	0	110.7	K589 K590 A591 R650 I696	K589-E694 PolarHBondContact O-N 3.37Å; K590-E694 WeakPolarHBondContact CA-O 3.36Å; K590-E694 VanDerWaalsContact CE-OE2 3.26Å; K590-E694 WeakPolarHBondContact CE-OE2 3.42Å; K590-E694 HydrophobicContact CG-CB 4.28Å; A591-E694 PolarHBondContact N-O 3.46Å; R650-E694 IonicContact CZ-OE1 3.92Å; R650-E694 IonicContact NH1-OE1 2.81Å; R650-E694 PolarHBondContact NH1-OE1 3.36Å; E694-I696 HydrophobicContact CB-CD1 4.04Å; E694-I696 HydrophobicContact CB-CG1 4.37Å
695	F	98.5	Very high	97.2	Very high	4 Å²	4	19.6 Å²	19.6	2%	0.018	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	108.1	176.4	-64.4	-74.2	0	0	0	110.5	A591 I593 R650 V651 W653 I685 L688 D689	A591-F695 HydrophobicContact CB-CD1 3.97Å; A591-F695 HydrophobicContact CB-CE1 4.16Å; I593-F695 HydrophobicContact CD1-CB 3.75Å; I593-F695 HydrophobicContact CD1-CD1 4.37Å; I593-F695 HydrophobicContact CD1-CG 4.47Å; R650-F695 WeakPolarHBondContact CA-O 3.37Å; V651-F695 HydrophobicContact CG2-CB 3.86Å; V651-F695 PolarHBondContact N-O 2.94Å; W653-F695 HydrophobicContact CB-CD2 4.21Å; W653-F695 HydrophobicContact CB-CE2 3.87Å; W653-F695 HydrophobicContact CG-CE2 4.39Å; I685-F695 HydrophobicContact CG2-CE1 3.98Å; I685-F695 HydrophobicContact CG2-CZ 4.03Å; L688-F695 HydrophobicContact CB-CE1 4.36Å; L688-F695 HydrophobicContact CB-CZ 4.13Å; D689-F695 HydrophobicContact CB-CE2 3.73Å; D689-F695 HydrophobicContact CB-CZ 3.92Å
696	I	98.6	Very high	97.1	Very high	11 Å²	11	20.7 Å²	20.7	6%	0.056	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	111.7	-174.1	-52.8	-57.2	0	0	0	110.3	L583 K590 A591 M592 I593 P648 Y649 R650 E694	L583-I696 HydrophobicContact CD1-CG2 3.9Å; L583-I696 HydrophobicContact CD2-CG2 4.31Å; K590-I696 HydrophobicContact CB-CG1 4.49Å; K590-I696 HydrophobicContact CD-CG1 4.12Å; K590-I696 HydrophobicContact CG-CG1 4.48Å; A591-I696 PolarHBondContact O-N 3.17Å; M592-I696 CarbonylContact C-O 3.59Å; M592-I696 VanDerWaalsContact CA-O 3.31Å; M592-I696 WeakPolarHBondContact CA-O 3.32Å; I593-I696 PolarHBondContact N-O 3.44Å; P648-I696 HydrophobicContact CB-CG2 3.65Å; Y649-I696 CarbonylContact O-C 3.58Å; R650-I696 HydrophobicContact CB-CD1 3.75Å; R650-I696 HydrophobicContact CG-CD1 4.13Å; E694-I696 HydrophobicContact CB-CD1 4.04Å; E694-I696 HydrophobicContact CB-CG1 4.37Å
697	V	98.8	Very high	97	Very high	0 Å²	0	22 Å²	22	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	127.3	177	-174.8	0	0	0	0	110.8	I593 P595 T637 P648 Y649 V651	I593-V697 HydrophobicContact CB-CG2 4.14Å; I593-V697 HydrophobicContact CD1-CG2 3.94Å; I593-V697 HydrophobicContact CG2-CG2 4.34Å; P595-V697 HydrophobicContact CG-CG1 3.6Å; T637-V697 HydrophobicContact CG2-CG1 4.08Å; T637-V697 HydrophobicContact CG2-CG2 4.15Å; P648-V697 WeakPolarHBondContact CA-O 3.47Å; Y649-V697 HydrophobicContact CD1-CB 4.34Å; Y649-V697 HydrophobicContact CD2-CB 4.12Å; Y649-V697 HydrophobicContact CD2-CG2 4.33Å; Y649-V697 HydrophobicContact CE1-CB 3.87Å; Y649-V697 HydrophobicContact CE1-CG1 3.92Å; Y649-V697 HydrophobicContact CE2-CB 3.64Å; Y649-V697 HydrophobicContact CE2-CG1 4.21Å; Y649-V697 HydrophobicContact CE2-CG2 3.72Å; Y649-V697 HydrophobicContact CG-CB 4.45Å; Y649-V697 VanDerWaalsContact CZ-CB 3.5Å; Y649-V697 PolarHBondContact N-O 2.74Å; Y649-V697 PolarHBondContact O-N 3.43Å; Y649-V697 WeakPolarHBondContact OH-CG1 3.4Å; V651-V697 HydrophobicContact CG1-CG2 3.71Å; V651-V697 HydrophobicContact CG2-CG2 3.94Å
698	L	98.6	Very high	96.7	Very high	0 Å²	0	24 Å²	24	0%	0	12%	0.118	C	C	.	.			trans	-80.6	126.8	176.5	-63.6	179.7	0	0	0	110.9	Y575 L576 L583 M592 I593 V594 W642 N700 A701	Y575-L698 HydrophobicContact CE1-CB 4.04Å; Y575-L698 HydrophobicContact CE1-CD1 3.95Å; Y575-L698 HydrophobicContact CE1-CG 4.42Å; L576-L698 HydrophobicContact CD2-CD1 3.37Å; L583-L698 HydrophobicContact CD1-CD2 3.97Å; M592-L698 HydrophobicContact CB-CD1 3.97Å; M592-L698 HydrophobicContact CB-CD2 4.17Å; M592-L698 HydrophobicContact CB-CG 4.02Å; M592-L698 HydrophobicContact CG-CD2 4.34Å; M592-L698 HydrophobicContact SD-CD1 4.36Å; M592-L698 HydrophobicContact SD-CD2 4Å; I593-L698 PolarHBondContact O-N 2.69Å; V594-L698 HydrophobicContact CG2-CD1 4.38Å; W642-L698 PolarHBondContact NE1-O 2.78Å; L698-N700 PolarHBondContact O-N 3.22Å; L698-A701 HydrophobicContact CB-CB 3.81Å; L698-A701 HydrophobicContact CD1-CB 4.11Å
699	P	97.7	Very high	96.3	Very high	2 Å²	2	27 Å²	27	1%	0.013	14%	0.143	C	C	.	.	S	Bend	trans	-75.1	-24.5	-168.5	30.9	-38.2	0	0	0	113.2	Y575 K610 W642 A645 P648	Y575-P699 WeakPolarHBondContact OH-CD 3.36Å; K610-P699 WeakPolarHBondContact CD-O 3.48Å; K610-P699 WeakPolarHBondContact CE-O 3.31Å; K610-P699 PolarHBondContact NZ-O 2.8Å; W642-P699 PolarHBondContact NE1-O 2.95Å; A645-P699 HydrophobicContact CB-CB 4.13Å; P648-P699 HydrophobicContact CG-CG 4.46Å
700	N	96.6	Very high	95.8	Very high	68 Å²	68	30.5 Å²	30.5	36%	0.364	17%	0.167	S	C	.	.	S	Bend	trans	-116.1	-9.9	-174.4	-63.8	-42.9	0	0	0	113.6	Y575 L698	Y575-N700 HydrophobicContact CE2-CB 4.07Å; L698-N700 PolarHBondContact O-N 3.22Å
701	A	98	Very high	95.5	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	18%	0.181	C	C	.	.			trans	-78.6	148.2	174	0	0	0	0	0	111.1	L572 Y575 V594 P595 W642 L698	L572-A701 HydrophobicContact CD1-CB 3.57Å; Y575-A701 HydrophobicContact CD1-CB 3.99Å; Y575-A701 HydrophobicContact CE1-CB 3.67Å; V594-A701 HydrophobicContact CG1-CB 4.14Å; V594-A701 HydrophobicContact CG2-CB 4.29Å; P595-A701 WeakPolarHBondContact CD-O 3.47Å; W642-A701 WeakPolarHBondContact CZ2-O 3.36Å; L698-A701 HydrophobicContact CB-CB 3.81Å; L698-A701 HydrophobicContact CD1-CB 4.11Å
702	Y	98.2	Very high	95.1	Very high	2 Å²	2	37.5 Å²	37.5	1%	0.008	20%	0.203	C	C	.	.			trans	-159.4	162.5	167.5	58.5	-90.7	0	0	0	110.7	M569 P595 F606 P607 L613 W642 I704	M569-Y702 HydrophobicContact CB-CD1 4.23Å; M569-Y702 HydrophobicContact CB-CD2 3.95Å; M569-Y702 HydrophobicContact CB-CE1 3.84Å; M569-Y702 HydrophobicContact CB-CE2 3.55Å; M569-Y702 HydrophobicContact CB-CG 4.27Å; M569-Y702 VanDerWaalsContact CB-CZ 3.49Å; M569-Y702 HydrophobicContact CE-CE1 4.33Å; M569-Y702 HydrophobicContact CG-CD1 4.46Å; M569-Y702 HydrophobicContact CG-CE1 4.33Å; M569-Y702 PolarHBondContact N-O 2.91Å; M569-Y702 VanDerWaalsContact N-O 3.13Å; M569-Y702 HydrophobicContact SD-CD1 3.74Å; M569-Y702 HydrophobicContact SD-CE1 3.63Å; M569-Y702 HydrophobicContact SD-CG 4.44Å; P595-Y702 WeakPolarHBondContact O-CA 3.25Å; F606-Y702 HydrophobicContact CE1-CE2 4.07Å; F606-Y702 HydrophobicContact CZ-CE2 4.35Å; P607-Y702 HydrophobicContact CG-CE2 3.93Å; P607-Y702 PolarHBondContact O-OH 2.88Å; L613-Y702 HydrophobicContact CD1-CD1 4Å; L613-Y702 HydrophobicContact CD1-CD2 3.2Å; L613-Y702 HydrophobicContact CD1-CE1 4.32Å; L613-Y702 HydrophobicContact CD1-CE2 3.57Å; L613-Y702 HydrophobicContact CD1-CG 3.44Å; L613-Y702 VanDerWaalsContact CD1-CG 3.44Å; W642-Y702 HydrophobicContact CH2-CD1 4.43Å; W642-Y702 HydrophobicContact CZ2-CD1 4.43Å; Y702-I704 HydrophobicContact CD2-CG1 4.43Å
703	M	98.1	Very high	94.8	Very high	1 Å²	1	30.8 Å²	30.8	1%	0.005	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	151.5	172.8	63.2	-163	-55.6	0	0	110.3	F560 S562 F566 L567 V594 P595 A596 F597 Y660	F560-M703 HydrophobicContact CE1-CE 4.26Å; F560-M703 HydrophobicContact CE2-CE 4.48Å; F560-M703 HydrophobicContact CE2-SD 4.31Å; F560-M703 HydrophobicContact CZ-CE 3.63Å; F560-M703 HydrophobicContact CZ-SD 3.65Å; S562-M703 WeakPolarHBondContact OG-CE 3.49Å; F566-M703 HydrophobicContact CB-CE 3.33Å; F566-M703 HydrophobicContact CD1-CB 4.12Å; F566-M703 HydrophobicContact CD1-CE 3.69Å; F566-M703 HydrophobicContact CD1-CG 3.62Å; F566-M703 HydrophobicContact CD1-SD 4.19Å; F566-M703 HydrophobicContact CD2-CE 4.13Å; F566-M703 HydrophobicContact CE1-CG 4.14Å; F566-M703 HydrophobicContact CG-CE 3.44Å; F566-M703 VanDerWaalsContact CG-CE 3.44Å; F566-M703 HydrophobicContact CG-CG 4.37Å; F566-M703 HydrophobicContact CG-SD 4.49Å; L567-M703 WeakPolarHBondContact O-CA 3.44Å; V594-M703 HydrophobicContact CB-SD 4.22Å; V594-M703 HydrophobicContact CG1-CB 4.21Å; V594-M703 HydrophobicContact CG1-CG 4.03Å; V594-M703 HydrophobicContact CG1-SD 3.83Å; P595-M703 PolarHBondContact O-N 3.03Å; A596-M703 HydrophobicContact CB-CG 4.15Å; F597-M703 PolarHBondContact N-O 3.07Å; Y660-M703 HydrophobicContact CD1-CE 4.41Å; Y660-M703 HydrophobicContact CD2-CE 4.41Å; Y660-M703 HydrophobicContact CD2-SD 3.75Å; Y660-M703 HydrophobicContact CG-CE 4.1Å; Y660-M703 HydrophobicContact CG-SD 3.72Å
704	I	98.1	Very high	94.4	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	120.9	-175.2	-57.1	174.6	0	0	0	110.1	F566 L567 F597 T599 L604 F606 P607 L622 Y702 M706	F566-I704 WeakPolarHBondContact CA-O 3.48Å; L567-I704 PolarHBondContact N-O 3.35Å; L567-I704 PolarHBondContact O-N 3.05Å; F597-I704 HydrophobicContact CB-CG1 4.4Å; F597-I704 WeakPolarHBondContact O-CA 3.34Å; T599-I704 HydrophobicContact CG2-CG2 4.42Å; L604-I704 HydrophobicContact CD2-CD1 3.97Å; L604-I704 HydrophobicContact CD2-CG2 3.87Å; F606-I704 HydrophobicContact CD2-CD1 4.22Å; F606-I704 HydrophobicContact CE1-CD1 4.46Å; F606-I704 HydrophobicContact CE2-CB 3.98Å; F606-I704 HydrophobicContact CE2-CD1 3.74Å; F606-I704 HydrophobicContact CE2-CG1 4.09Å; F606-I704 HydrophobicContact CZ-CB 4.48Å; F606-I704 HydrophobicContact CZ-CD1 3.89Å; F606-I704 HydrophobicContact CZ-CG1 4.19Å; P607-I704 HydrophobicContact CG-CD1 3.55Å; L622-I704 HydrophobicContact CD1-CD1 3.96Å; L622-I704 HydrophobicContact CD2-CD1 4.32Å; L622-I704 HydrophobicContact CD2-CG2 4.11Å; Y702-I704 HydrophobicContact CD2-CG1 4.43Å; I704-M706 HydrophobicContact CG2-SD 4.37Å
705	H	97.3	Very high	94	Very high	14 Å²	14	31.2 Å²	31.2	7%	0.065	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	127.1	171.5	-175.2	-88.2	0	0	0	110.2	D565 F566 F597 E598 T599 F625 H708	D565-H705 WeakPolarHBondContact O-CA 3.45Å; F566-H705 HydrophobicContact CD1-CB 3.93Å; F566-H705 VanDerWaalsContact CD1-N 3.32Å; F566-H705 HydrophobicContact CE1-CB 3.45Å; F566-H705 VanDerWaalsContact CE1-CB 3.45Å; F566-H705 HydrophobicContact CE2-CB 4.29Å; F566-H705 AromaticContact CE2-CD2 3.55Å; F566-H705 HydrophobicContact CZ-CB 3.64Å; F566-H705 AromaticContact CZ-CD2 3.62Å; F597-H705 WeakPolarHBondContact O-CB 3.39Å; F597-H705 PolarHBondContact O-N 2.85Å; E598-H705 HydrophobicContact CB-CB 3.94Å; T599-H705 PolarHBondContact N-O 3.03Å; F625-H705 HydrophobicContact CD2-CB 3.85Å; F625-H705 AromaticContact CD2-CG 4Å; F625-H705 HydrophobicContact CE2-CB 3.87Å; F625-H705 AromaticContact CE2-CD2 3.38Å; F625-H705 WeakPolarHBondContact CE2-CD2 3.46Å; F625-H705 AromaticContact CE2-CG 3.5Å; F625-H705 AromaticContact CE2-NE2 3.83Å; F625-H705 AromaticContact CZ-CD2 3.81Å; H705-H708 AromaticContact CE1-CD2 3.31Å; H705-H708 PolarHBondContact CE1-CD2 3.48Å; H705-H708 AromaticContact CE1-NE2 3.25Å; H705-H708 PolarHBondContact CE1-NE2 3.18Å; H705-H708 AromaticContact NE2-CD2 3.42Å; H705-H708 PolarHBondContact NE2-CD2 2.96Å; H705-H708 AromaticContact NE2-NE2 3.08Å; H705-H708 PolarHBondContact NE2-NE2 2.85Å
706	M	95.4	Very high	93.5	Very high	25 Å²	25	32.5 Å²	32.5	12%	0.123	19%	0.185	C	C	.	.	P	Polyproline II helix	trans	-93	141.9	177.7	-60.3	-54.3	-65.5	0	0	110.7	M487 D565 L567 T599 L604 I704 H708	M487-M706 HydrophobicContact CE-CB 4.12Å; M487-M706 HydrophobicContact CE-CG 3.86Å; M487-M706 HydrophobicContact SD-CB 4.23Å; M487-M706 HydrophobicContact SD-CG 4.43Å; D565-M706 PolarHBondContact O-N 2.64Å; L567-M706 HydrophobicContact CD1-CG 3.92Å; L567-M706 HydrophobicContact CD1-SD 3.99Å; L567-M706 HydrophobicContact CG-CG 3.91Å; L567-M706 HydrophobicContact CG-SD 4.43Å; T599-M706 HydrophobicContact CG2-CE 4.35Å; T599-M706 HydrophobicContact CG2-SD 4.24Å; L604-M706 HydrophobicContact CB-CE 4.22Å; L604-M706 HydrophobicContact CD2-SD 4.41Å; I704-M706 HydrophobicContact CG2-SD 4.37Å; M706-H708 PolarHBondContact O-CD2 3.11Å; M706-H708 PolarHBondContact O-N 2.98Å
707	P	92.9	Very high	93.2	Very high	33 Å²	33	34.6 Å²	34.6	21%	0.214	19%	0.194	C	C	.	.	P	Polyproline II helix	trans	-61.6	137.9	179.1	-19.1	28.9	0	0	0	112	T599 Y602	T599-P707 HydrophobicContact CG2-CG 4.28Å; T599-P707 WeakPolarHBondContact O-CG 3.42Å; Y602-P707 HydrophobicContact CD1-CB 3.95Å; Y602-P707 HydrophobicContact CD1-CG 4.41Å; Y602-P707 HydrophobicContact CE1-CB 3.76Å
708	H	90.8	Very high	92.8	Very high	54 Å²	54	41.4 Å²	41.4	25%	0.25	22%	0.219	C	C	.	.			trans	-147.7	163	180	64.8	68.2	0	0	0	111.6	R484 D565 H705 M706	R484-H708 VanDerWaalsContact CZ-CB 3.5Å; R484-H708 VanDerWaalsContact NH2-CG 3.34Å; R484-H708 PolarHBondContact NH2-ND1 2.92Å; D565-H708 IonicContact OD1-CD2 3.12Å; D565-H708 PolarHBondContact OD1-CD2 3.24Å; D565-H708 VanDerWaalsContact OD1-CD2 3.29Å; D565-H708 IonicContact OD1-CG 2.7Å; D565-H708 IonicContact OD2-CD2 2.73Å; D565-H708 IonicContact OD2-NE2 3.98Å; H705-H708 AromaticContact CE1-CD2 3.31Å; H705-H708 PolarHBondContact CE1-CD2 3.48Å; H705-H708 AromaticContact CE1-NE2 3.25Å; H705-H708 PolarHBondContact CE1-NE2 3.18Å; H705-H708 AromaticContact NE2-CD2 3.42Å; H705-H708 PolarHBondContact NE2-CD2 2.96Å; H705-H708 AromaticContact NE2-NE2 3.08Å; H705-H708 PolarHBondContact NE2-NE2 2.85Å; M706-H708 PolarHBondContact O-CD2 3.11Å; M706-H708 PolarHBondContact O-N 2.98Å
709	A	88	Confident	92.4	Very high	63 Å²	63	45.9 Å²	45.9	52%	0.521	25%	0.251	S	S	.	.	P	Polyproline II helix	trans	-65.7	146	176.5	0	0	0	0	0	111.4	R484	R484-A709 PolarHBondContact NH2-O 3.04Å
710	P	86.9	Confident	92.1	Very high	92 Å²	92	49.2 Å²	49.2	60%	0.597	27%	0.269	S	S	*	.	P	Polyproline II helix	trans	-59.8	143.1	172.8	-21.3	32.6	0	0	0	111.7	I714	P710-I714 HydrophobicContact CB-CG2 3.8Å
711	S	88.1	Confident	91.9	Very high	49 Å²	49	53 Å²	53	34%	0.343	28%	0.281	S	S	.	.	P	Polyproline II helix	trans	-72.7	164.9	174.4	67.3	0	0	0	0	112.4	D713 I714 T715	S711-D713 VanDerWaalsContact C-N 3.32Å; S711-I714 WeakPolarHBondContact O-CG2 3.43Å; S711-I714 WeakPolarHBondContact OG-CG2 3.31Å; S711-I714 PolarHBondContact OG-N 2.8Å; S711-T715 PolarHBondContact O-N 2.96Å; S711-T715 PolarHBondContact O-OG1 3Å; S711-T715 VanDerWaalsContact O-OG1 3.09Å
712	F	87.2	Confident	91.6	Very high	141 Å²	141	56.2 Å²	56.2	62%	0.618	30%	0.297	S	S	*	.	H	α-helix	trans	-64.6	-39.4	171.9	-175.7	-116.5	0	0	0	111.7	I714 T715 K716	F712-I714 PolarHBondContact O-N 3.03Å; F712-T715 WeakPolarHBondContact O-CA 3.03Å; F712-T715 VanDerWaalsContact O-CB 3.3Å; F712-T715 WeakPolarHBondContact O-CB 3.41Å; F712-T715 PolarHBondContact O-N 2.93Å; F712-T715 VanDerWaalsContact O-N 3.1Å; F712-K716 HydrophobicContact CD1-CD 3.89Å; F712-K716 HydrophobicContact CD1-CG 4.33Å; F712-K716 HydrophobicContact CE1-CD 3.6Å; F712-K716 HydrophobicContact CE1-CG 4.07Å; F712-K716 HydrophobicContact CZ-CD 4.22Å; F712-K716 HydrophobicContact CZ-CG 4.25Å; F712-K716 PolarHBondContact O-N 3.4Å
713	D	87.9	Confident	91.4	Very high	11 Å²	11	56.4 Å²	56.4	6%	0.059	30%	0.298	C	S	.	.	H	α-helix	trans	-69.2	-34.8	-178.4	-69.3	-38.3	0	0	0	113.5	Y541 G676 F677 S711 T715 K716 F717	Y541-D713 WeakPolarHBondContact CB-OD2 3.33Å; Y541-D713 PolarHBondContact N-OD2 2.75Å; G676-D713 WeakPolarHBondContact CA-OD2 3.19Å; F677-D713 HydrophobicContact CB-CB 4.01Å; S711-D713 VanDerWaalsContact C-N 3.32Å; D713-T715 PolarHBondContact O-N 3.26Å; D713-K716 PolarHBondContact O-N 2.59Å; D713-F717 WeakPolarHBondContact O-CB 3.42Å; D713-F717 PolarHBondContact O-N 2.98Å
714	I	88.4	Confident	91.2	Very high	12 Å²	12	61.1 Å²	61.1	6%	0.062	32%	0.315	C	S	.	.	H	α-helix	trans	-65.8	-32.6	172.1	-167.7	172.7	0	0	0	111	F677 P710 S711 F712 R718	F677-I714 HydrophobicContact CD1-CG1 4.41Å; F677-I714 HydrophobicContact CD2-CB 3.97Å; F677-I714 HydrophobicContact CD2-CD1 4.31Å; F677-I714 HydrophobicContact CD2-CG1 4.09Å; F677-I714 HydrophobicContact CE1-CG1 4.34Å; F677-I714 HydrophobicContact CE2-CB 4.37Å; F677-I714 HydrophobicContact CE2-CD1 3.84Å; F677-I714 HydrophobicContact CE2-CG1 4.01Å; F677-I714 HydrophobicContact CG-CB 4.13Å; F677-I714 HydrophobicContact CG-CG1 4.29Å; F677-I714 HydrophobicContact CZ-CD1 4.08Å; F677-I714 HydrophobicContact CZ-CG1 4.14Å; P710-I714 HydrophobicContact CB-CG2 3.8Å; S711-I714 WeakPolarHBondContact O-CG2 3.43Å; S711-I714 WeakPolarHBondContact OG-CG2 3.31Å; S711-I714 PolarHBondContact OG-N 2.8Å; F712-I714 PolarHBondContact O-N 3.03Å; I714-R718 WeakPolarHBondContact O-CB 3.44Å; I714-R718 VanDerWaalsContact O-CG 3.26Å; I714-R718 WeakPolarHBondContact O-CG 3.37Å; I714-R718 PolarHBondContact O-N 3.27Å; I714-R718 VanDerWaalsContact O-N 3.11Å
715	T	89.4	Confident	91	Very high	73 Å²	73	64.3 Å²	64.3	45%	0.448	33%	0.331	S	S	.	.	H	α-helix	trans	-67.9	-46.7	174.8	-56	0	0	0	0	110.6	S711 F712 D713 F717 R718 S719	S711-T715 PolarHBondContact O-N 2.96Å; S711-T715 PolarHBondContact O-OG1 3Å; S711-T715 VanDerWaalsContact O-OG1 3.09Å; F712-T715 WeakPolarHBondContact O-CA 3.03Å; F712-T715 VanDerWaalsContact O-CB 3.3Å; F712-T715 WeakPolarHBondContact O-CB 3.41Å; F712-T715 PolarHBondContact O-N 2.93Å; F712-T715 VanDerWaalsContact O-N 3.1Å; D713-T715 PolarHBondContact O-N 3.26Å; T715-F717 PolarHBondContact O-N 2.74Å; T715-R718 PolarHBondContact O-N 3.01Å; T715-S719 PolarHBondContact O-N 3.1Å; T715-S719 PolarHBondContact O-OG 3.17Å; T715-S719 VanDerWaalsContact O-OG 3.08Å
716	K	89.5	Confident	90.9	Very high	32 Å²	32	63.7 Å²	63.7	14%	0.139	33%	0.329	C	S	.	.	H	α-helix	trans	-57	-47.5	172.9	-81.1	178.6	154.7	178.9	0	111.9	Q539 F540 F712 D713 R718 S719 N720 Y723	Q539-K716 PolarHBondContact O-NZ 3.4Å; F540-K716 HydrophobicContact CD1-CD 4.4Å; F540-K716 HydrophobicContact CE1-CD 4.1Å; F712-K716 HydrophobicContact CD1-CD 3.89Å; F712-K716 HydrophobicContact CD1-CG 4.33Å; F712-K716 HydrophobicContact CE1-CD 3.6Å; F712-K716 HydrophobicContact CE1-CG 4.07Å; F712-K716 HydrophobicContact CZ-CD 4.22Å; F712-K716 HydrophobicContact CZ-CG 4.25Å; F712-K716 PolarHBondContact O-N 3.4Å; D713-K716 PolarHBondContact O-N 2.59Å; K716-R718 VanDerWaalsContact C-N 3.3Å; K716-R718 PolarHBondContact O-N 3.41Å; K716-S719 PolarHBondContact O-N 3.42Å; K716-S719 PolarHBondContact O-OG 3.46Å; K716-N720 WeakPolarHBondContact O-CB 3.15Å; K716-N720 PolarHBondContact O-N 3.22Å; K716-Y723 HydrophobicContact CB-CD2 4.26Å; K716-Y723 HydrophobicContact CB-CE2 4.4Å
717	F	90.5	Very high	90.8	Very high	54 Å²	54	63.1 Å²	63.1	24%	0.237	33%	0.326	C	S	.	.	H	α-helix	trans	-57.2	-42.9	177.9	169.8	-97.7	0	0	0	112.2	F677 D713 T715 Y723 R724 L727	F677-F717 HydrophobicContact CD1-CB 3.85Å; F677-F717 AromaticContact CD1-CD1 3.75Å; F677-F717 HydrophobicContact CD1-CD1 3.75Å; F677-F717 HydrophobicContact CD1-CD2 4.08Å; F677-F717 HydrophobicContact CD1-CE1 4.34Å; F677-F717 AromaticContact CD1-CG 3.61Å; F677-F717 HydrophobicContact CD1-CG 3.61Å; F677-F717 AromaticContact CE1-CD1 3.71Å; F677-F717 HydrophobicContact CE1-CD1 3.71Å; F677-F717 AromaticContact CE1-CE1 3.92Å; F677-F717 HydrophobicContact CE1-CE1 3.92Å; F677-F717 HydrophobicContact CE1-CG 4.05Å; F677-F717 HydrophobicContact CE1-CZ 4.42Å; D713-F717 WeakPolarHBondContact O-CB 3.42Å; D713-F717 PolarHBondContact O-N 2.98Å; T715-F717 PolarHBondContact O-N 2.74Å; F717-Y723 HydrophobicContact CB-CD1 4.03Å; F717-Y723 HydrophobicContact CB-CE1 3.9Å; F717-Y723 AromaticContact CD2-CD1 3.63Å; F717-Y723 HydrophobicContact CD2-CD1 3.63Å; F717-Y723 AromaticContact CD2-CE1 3.62Å; F717-Y723 HydrophobicContact CD2-CE1 3.62Å; F717-Y723 HydrophobicContact CG-CD1 4.31Å; F717-Y723 HydrophobicContact CG-CE1 4.25Å; F717-R724 HydrophobicContact CD2-CG 3.94Å; F717-R724 HydrophobicContact CE2-CG 3.73Å; F717-R724 HydrophobicContact CZ-CG 4.23Å; F717-R724 WeakPolarHBondContact O-CG 3.35Å; F717-R724 PolarHBondContact O-NH1 3.13Å; F717-L727 HydrophobicContact CD2-CD2 4.21Å; F717-L727 HydrophobicContact CE2-CD2 3.79Å
718	R	90.5	Very high	90.9	Very high	143 Å²	143	67.1 Å²	67.1	54%	0.54	34%	0.34	S	S	.	.	H	α-helix	trans	-71.6	-41.8	-180	-71.8	171.3	178.3	179.9	-1.7	112.4	I714 T715 K716 R724	I714-R718 WeakPolarHBondContact O-CB 3.44Å; I714-R718 VanDerWaalsContact O-CG 3.26Å; I714-R718 WeakPolarHBondContact O-CG 3.37Å; I714-R718 PolarHBondContact O-N 3.27Å; I714-R718 VanDerWaalsContact O-N 3.11Å; T715-R718 PolarHBondContact O-N 3.01Å; K716-R718 VanDerWaalsContact C-N 3.3Å; K716-R718 PolarHBondContact O-N 3.41Å; R718-R724 PolarHBondContact O-NH1 3.19Å
719	S	91.2	Very high	91.1	Very high	94 Å²	94	66.7 Å²	66.7	66%	0.657	34%	0.341	S	S	*	.	H	α-helix	trans	-83.9	-29.7	-175.6	65.1	0	0	0	0	113.8	T715 K716	T715-S719 PolarHBondContact O-N 3.1Å; T715-S719 PolarHBondContact O-OG 3.17Å; T715-S719 VanDerWaalsContact O-OG 3.08Å; K716-S719 PolarHBondContact O-N 3.42Å; K716-S719 PolarHBondContact O-OG 3.46Å
720	N	91.7	Very high	91.5	Very high	73 Å²	73	63.9 Å²	63.9	39%	0.39	32%	0.317	S	S	.	.			trans	-102.2	110.6	-170.7	-169.2	-15.1	0	0	0	112.2	K716 Q722 Y723 R724	K716-N720 WeakPolarHBondContact O-CB 3.15Å; K716-N720 PolarHBondContact O-N 3.22Å; N720-Q722 VanDerWaalsContact C-N 3.3Å; N720-Q722 PolarHBondContact O-N 2.81Å; N720-Q722 WeakPolarHBondContact OD1-CA 3.47Å; N720-Q722 WeakPolarHBondContact OD1-CB 3.31Å; N720-Q722 PolarHBondContact OD1-N 2.64Å; N720-Y723 WeakPolarHBondContact O-CB 3.28Å; N720-Y723 PolarHBondContact O-N 3Å; N720-Y723 PolarHBondContact OD1-N 3.36Å; N720-R724 PolarHBondContact O-N 3.17Å; N720-R724 PolarHBondContact O-NH1 2.97Å
721	K	92.4	Very high	91.8	Very high	146 Å²	146	60.7 Å²	60.7	64%	0.635	29%	0.294	S	S	*	.	H	α-helix	trans	-61.4	-38.8	175.2	-173.8	-176.6	178.2	-172.8	0	112	Y723 R724 I725	K721-Y723 VanDerWaalsContact C-N 3.31Å; K721-Y723 PolarHBondContact O-N 3.19Å; K721-R724 PolarHBondContact O-N 3.13Å; K721-R724 VanDerWaalsContact O-N 3.16Å; K721-I725 HydrophobicContact CD-CD1 4.48Å; K721-I725 HydrophobicContact CG-CD1 4.06Å; K721-I725 WeakPolarHBondContact O-CG1 3.47Å; K721-I725 PolarHBondContact O-N 3.42Å
722	Q	91.2	Very high	92.1	Very high	69 Å²	69	61.8 Å²	61.8	32%	0.322	29%	0.294	S	S	.	.	H	α-helix	trans	-60.8	-42.4	179.4	-173.4	67.1	5.5	0	0	111.5	L442 N720 R724 I725 C726	L442-Q722 PolarHBondContact O-NE2 2.8Å; N720-Q722 VanDerWaalsContact C-N 3.3Å; N720-Q722 PolarHBondContact O-N 2.81Å; N720-Q722 WeakPolarHBondContact OD1-CA 3.47Å; N720-Q722 WeakPolarHBondContact OD1-CB 3.31Å; N720-Q722 PolarHBondContact OD1-N 2.64Å; Q722-R724 VanDerWaalsContact C-N 3.29Å; Q722-R724 PolarHBondContact O-N 3.11Å; Q722-I725 PolarHBondContact O-N 3.24Å; Q722-C726 WeakPolarHBondContact O-CB 3.41Å; Q722-C726 PolarHBondContact O-N 3.04Å
723	Y	93.5	Very high	92.4	Very high	6 Å²	6	57.3 Å²	57.3	2%	0.024	28%	0.275	C	S	.	.	H	α-helix	trans	-55	-46.9	175.2	-171.8	-64.6	0	0	0	110.8	F446 F540 F677 K716 F717 N720 K721 C726 L727	F446-Y723 HydrophobicContact CE1-CE1 4.47Å; F446-Y723 HydrophobicContact CE1-CE2 4.45Å; F446-Y723 HydrophobicContact CE2-CD2 4.02Å; F446-Y723 HydrophobicContact CE2-CE2 4.16Å; F446-Y723 HydrophobicContact CE2-CG 4.31Å; F446-Y723 HydrophobicContact CZ-CD1 4.06Å; F446-Y723 AromaticContact CZ-CD2 3.75Å; F446-Y723 HydrophobicContact CZ-CD2 3.75Å; F446-Y723 AromaticContact CZ-CE1 3.79Å; F446-Y723 HydrophobicContact CZ-CE1 3.79Å; F446-Y723 AromaticContact CZ-CE2 3.51Å; F446-Y723 HydrophobicContact CZ-CE2 3.51Å; F446-Y723 HydrophobicContact CZ-CG 4.02Å; F446-Y723 AromaticContact CZ-CZ 3.52Å; F540-Y723 HydrophobicContact CD1-CE2 4.15Å; F540-Y723 HydrophobicContact CE1-CD2 4.04Å; F540-Y723 AromaticContact CE1-CE2 3.7Å; F540-Y723 HydrophobicContact CE1-CE2 3.7Å; F677-Y723 PolarHBondContact N-OH 3.2Å; F677-Y723 WeakPolarHBondContact O-CE1 3.35Å; F677-Y723 PolarHBondContact O-OH 3.02Å; K716-Y723 HydrophobicContact CB-CD2 4.26Å; K716-Y723 HydrophobicContact CB-CE2 4.4Å; F717-Y723 HydrophobicContact CB-CD1 4.03Å; F717-Y723 HydrophobicContact CB-CE1 3.9Å; F717-Y723 AromaticContact CD2-CD1 3.63Å; F717-Y723 HydrophobicContact CD2-CD1 3.63Å; F717-Y723 AromaticContact CD2-CE1 3.62Å; F717-Y723 HydrophobicContact CD2-CE1 3.62Å; F717-Y723 HydrophobicContact CG-CD1 4.31Å; F717-Y723 HydrophobicContact CG-CE1 4.25Å; N720-Y723 WeakPolarHBondContact O-CB 3.28Å; N720-Y723 PolarHBondContact O-N 3Å; N720-Y723 PolarHBondContact OD1-N 3.36Å; K721-Y723 VanDerWaalsContact C-N 3.31Å; K721-Y723 PolarHBondContact O-N 3.19Å; Y723-C726 PolarHBondContact O-N 3.28Å; Y723-L727 WeakPolarHBondContact O-CB 3.45Å; Y723-L727 PolarHBondContact O-N 3.48Å
724	R	94.1	Very high	92.8	Very high	100 Å²	100	56.9 Å²	56.9	38%	0.377	27%	0.272	S	S	.	.	H	α-helix	trans	-68.6	-38	-178.5	-63.7	-169.8	-65.7	-86.7	6.7	113	F717 R718 N720 K721 Q722 K728	F717-R724 HydrophobicContact CD2-CG 3.94Å; F717-R724 HydrophobicContact CE2-CG 3.73Å; F717-R724 HydrophobicContact CZ-CG 4.23Å; F717-R724 WeakPolarHBondContact O-CG 3.35Å; F717-R724 PolarHBondContact O-NH1 3.13Å; R718-R724 PolarHBondContact O-NH1 3.19Å; N720-R724 PolarHBondContact O-N 3.17Å; N720-R724 PolarHBondContact O-NH1 2.97Å; K721-R724 PolarHBondContact O-N 3.13Å; K721-R724 VanDerWaalsContact O-N 3.16Å; Q722-R724 VanDerWaalsContact C-N 3.29Å; Q722-R724 PolarHBondContact O-N 3.11Å; R724-K728 PolarHBondContact O-N 3.08Å; R724-K728 VanDerWaalsContact O-N 3.13Å
725	I	94.4	Very high	93	Very high	66 Å²	66	56.8 Å²	56.8	34%	0.338	27%	0.272	S	S	.	.	H	α-helix	trans	-61.8	-50.3	174.1	-67.6	168.1	0	0	0	109.2	L442 K721 Q722 L727 K728 T729	L442-I725 HydrophobicContact CD1-CG2 4.41Å; K721-I725 HydrophobicContact CD-CD1 4.48Å; K721-I725 HydrophobicContact CG-CD1 4.06Å; K721-I725 WeakPolarHBondContact O-CG1 3.47Å; K721-I725 PolarHBondContact O-N 3.42Å; Q722-I725 PolarHBondContact O-N 3.24Å; I725-L727 PolarHBondContact O-N 2.86Å; I725-K728 WeakPolarHBondContact O-CB 3.46Å; I725-K728 PolarHBondContact O-N 2.73Å; I725-K728 VanDerWaalsContact O-N 3.12Å; I725-T729 PolarHBondContact O-N 3.49Å; I725-T729 PolarHBondContact O-OG1 3.48Å
726	C	94.8	Very high	93.1	Very high	1 Å²	1	57.6 Å²	57.6	1%	0.007	27%	0.27	C	S	.	.	H	α-helix	trans	-60.6	-44.3	179.5	177.5	0	0	0	0	112.3	C443 F446 Q722 Y723 K728 T729 L730	C443-C726 WeakPolarHBondContact CA-SG 3.23Å; C443-C726 HydrophobicContact CB-CB 4.18Å; C443-C726 WeakPolarHBondContact CB-SG 3.41Å; C443-C726 WeakPolarHBondContact SG-CA 3.38Å; C443-C726 WeakPolarHBondContact SG-CB 2.97Å; C443-C726 PolarHBondContact SG-O 3.21Å; C443-C726 CovalentContact SG-SG 2.04Å; C443-C726 PolarHBondContact SG-SG 3.01Å; F446-C726 HydrophobicContact CD2-CB 4.43Å; F446-C726 HydrophobicContact CE2-CB 4.45Å; Q722-C726 WeakPolarHBondContact O-CB 3.41Å; Q722-C726 PolarHBondContact O-N 3.04Å; Y723-C726 PolarHBondContact O-N 3.28Å; C726-K728 PolarHBondContact O-N 3.39Å; C726-T729 WeakPolarHBondContact O-CB 3.49Å; C726-T729 PolarHBondContact O-N 2.96Å; C726-L730 WeakPolarHBondContact O-CG 3.15Å; C726-L730 PolarHBondContact O-N 3.08Å
727	L	94.5	Very high	93.3	Very high	13 Å²	13	58.1 Å²	58.1	7%	0.068	28%	0.275	C	S	.	.	H	α-helix	trans	-57.8	-38.4	177.1	-171.2	67.2	0	0	0	112.1	F674 W679 F717 Y723 I725 K731	F674-L727 HydrophobicContact CD1-CD1 4.03Å; F674-L727 HydrophobicContact CE1-CD1 4.43Å; W679-L727 HydrophobicContact CB-CD1 4.14Å; F717-L727 HydrophobicContact CD2-CD2 4.21Å; F717-L727 HydrophobicContact CE2-CD2 3.79Å; Y723-L727 WeakPolarHBondContact O-CB 3.45Å; Y723-L727 PolarHBondContact O-N 3.48Å; I725-L727 PolarHBondContact O-N 2.86Å; L727-K731 WeakPolarHBondContact O-CB 3.44Å; L727-K731 PolarHBondContact O-N 2.75Å
728	K	94.3	Very high	93.4	Very high	118 Å²	118	55.6 Å²	55.6	51%	0.513	26%	0.264	S	S	.	.	H	α-helix	trans	-64.4	-46.6	174.3	-172.4	-178.3	178.7	-170.6	0	111.3	R724 I725 C726 L730 K731 E732	R724-K728 PolarHBondContact O-N 3.08Å; R724-K728 VanDerWaalsContact O-N 3.13Å; I725-K728 WeakPolarHBondContact O-CB 3.46Å; I725-K728 PolarHBondContact O-N 2.73Å; I725-K728 VanDerWaalsContact O-N 3.12Å; C726-K728 PolarHBondContact O-N 3.39Å; K728-L730 PolarHBondContact O-N 3.22Å; K728-K731 WeakPolarHBondContact O-CB 3.36Å; K728-K731 PolarHBondContact O-N 2.78Å; K728-E732 WeakPolarHBondContact CE-OE1 3.4Å; K728-E732 IonicContact NZ-OE1 3.42Å; K728-E732 WeakPolarHBondContact O-CG 3.43Å; K728-E732 PolarHBondContact O-N 2.99Å
729	T	95.1	Very high	93.4	Very high	44 Å²	44	50 Å²	50	27%	0.27	25%	0.246	S	C	.	.	H	α-helix	trans	-58.5	-47	176	-57.1	0	0	0	0	111.8	I725 C726 K731 E732 E733	I725-T729 PolarHBondContact O-N 3.49Å; I725-T729 PolarHBondContact O-OG1 3.48Å; C726-T729 WeakPolarHBondContact O-CB 3.49Å; C726-T729 PolarHBondContact O-N 2.96Å; T729-K731 VanDerWaalsContact C-N 3.3Å; T729-K731 PolarHBondContact O-N 3.45Å; T729-E732 PolarHBondContact O-N 3.38Å; T729-E733 WeakPolarHBondContact O-CG 3.5Å; T729-E733 PolarHBondContact O-N 3.46Å
730	L	95.5	Very high	93.4	Very high	4 Å²	4	54.2 Å²	54.2	2%	0.021	25%	0.248	C	C	.	.	H	α-helix	trans	-64.4	-33.7	178.5	-66	176.8	0	0	0	112.8	F446 F674 C726 K728 F734	F446-L730 HydrophobicContact CB-CD1 3.87Å; F446-L730 HydrophobicContact CD1-CD1 3.58Å; F446-L730 HydrophobicContact CE1-CD1 4.34Å; F446-L730 HydrophobicContact CG-CD1 3.9Å; F674-L730 HydrophobicContact CE1-CB 3.92Å; C726-L730 WeakPolarHBondContact O-CG 3.15Å; C726-L730 PolarHBondContact O-N 3.08Å; K728-L730 PolarHBondContact O-N 3.22Å; L730-F734 WeakPolarHBondContact O-CB 3.39Å; L730-F734 PolarHBondContact O-N 3.43Å
731	K	94.6	Very high	93.4	Very high	26 Å²	26	57.5 Å²	57.5	11%	0.113	26%	0.255	C	S	.	.	H	α-helix	trans	-61.5	-50.6	171.5	163.6	-176.1	-177.2	170.6	0	111.1	W679 L727 K728 T729 E733 F734 Q735 E753	W679-K731 HydrophobicContact CD2-CB 4.03Å; W679-K731 HydrophobicContact CD2-CD 4.06Å; W679-K731 HydrophobicContact CD2-CG 3.98Å; W679-K731 VanDerWaalsContact CE2-CD 3.44Å; W679-K731 HydrophobicContact CE3-CB 4.01Å; W679-K731 HydrophobicContact CE3-CD 4.4Å; W679-K731 HydrophobicContact CE3-CG 3.87Å; W679-K731 HydrophobicContact CH2-CD 3.69Å; W679-K731 HydrophobicContact CH2-CG 3.59Å; W679-K731 HydrophobicContact CZ2-CD 3.29Å; W679-K731 HydrophobicContact CZ2-CG 3.72Å; W679-K731 VanDerWaalsContact CZ2-NZ 3.29Å; W679-K731 HydrophobicContact CZ3-CB 4.28Å; W679-K731 HydrophobicContact CZ3-CD 4.22Å; W679-K731 HydrophobicContact CZ3-CG 3.66Å; L727-K731 WeakPolarHBondContact O-CB 3.44Å; L727-K731 PolarHBondContact O-N 2.75Å; K728-K731 WeakPolarHBondContact O-CB 3.36Å; K728-K731 PolarHBondContact O-N 2.78Å; T729-K731 VanDerWaalsContact C-N 3.3Å; T729-K731 PolarHBondContact O-N 3.45Å; K731-E733 VanDerWaalsContact C-N 3.34Å; K731-E733 PolarHBondContact O-N 3.1Å; K731-F734 WeakPolarHBondContact O-CB 3.27Å; K731-F734 PolarHBondContact O-N 3.28Å; K731-Q735 WeakPolarHBondContact O-CG 3.44Å; K731-Q735 PolarHBondContact O-N 2.96Å; K731-E753 WeakPolarHBondContact CE-OE1 3.26Å; K731-E753 IonicContact NZ-OE1 2.78Å; K731-E753 PolarHBondContact NZ-OE1 2.77Å
732	E	93.7	Very high	93.4	Very high	71 Å²	71	53.6 Å²	53.6	33%	0.332	24%	0.237	S	C	.	.	H	α-helix	trans	-60.4	-45	179.6	-69.7	168.8	-171.7	0	0	110.8	K728 T729 F734 Q735 Q736	K728-E732 WeakPolarHBondContact CE-OE1 3.4Å; K728-E732 IonicContact NZ-OE1 3.42Å; K728-E732 WeakPolarHBondContact O-CG 3.43Å; K728-E732 PolarHBondContact O-N 2.99Å; T729-E732 PolarHBondContact O-N 3.38Å; E732-F734 PolarHBondContact O-N 3.25Å; E732-Q735 PolarHBondContact O-N 3Å; E732-Q736 VanDerWaalsContact O-CG 3.31Å; E732-Q736 WeakPolarHBondContact O-CG 3.36Å; E732-Q736 PolarHBondContact O-N 3.49Å
733	E	94	Very high	93.4	Very high	47 Å²	47	52 Å²	52	22%	0.22	24%	0.239	C	C	.	.	H	α-helix	trans	-58.8	-44.3	174.3	-72	177.3	-173.9	0	0	112.1	R447 T729 K731 Q735 Q736 D737	R447-E733 IonicContact CZ-OE1 3.79Å; R447-E733 IonicContact NH2-OE1 3.91Å; R447-E733 PolarHBondContact NH2-OE1 3.12Å; T729-E733 WeakPolarHBondContact O-CG 3.5Å; T729-E733 PolarHBondContact O-N 3.46Å; K731-E733 VanDerWaalsContact C-N 3.34Å; K731-E733 PolarHBondContact O-N 3.1Å; E733-Q735 PolarHBondContact O-N 3.2Å; E733-Q736 PolarHBondContact O-N 3.25Å; E733-D737 VanDerWaalsContact O-CG 3.28Å; E733-D737 PolarHBondContact O-N 3.21Å
734	F	95.1	Very high	92.9	Very high	2 Å²	2	60.3 Å²	60.3	1%	0.009	28%	0.275	C	S	.	.	H	α-helix	trans	-60.8	-46.4	177.7	176.1	-100.3	0	0	0	111.3	D671 F674 W679 A683 M686 L730 K731 E732 Q736 D737 M738	D671-F734 HydrophobicContact CB-CD2 4.24Å; D671-F734 HydrophobicContact CB-CE2 4.02Å; D671-F734 WeakPolarHBondContact OD2-CD2 3.32Å; F674-F734 HydrophobicContact CE2-CB 4.1Å; F674-F734 HydrophobicContact CE2-CD2 4.02Å; F674-F734 AromaticContact CE2-CG 3.98Å; F674-F734 HydrophobicContact CE2-CG 3.98Å; F674-F734 HydrophobicContact CZ-CB 3.8Å; F674-F734 HydrophobicContact CZ-CG 4.12Å; W679-F734 HydrophobicContact CZ3-CD1 4.32Å; A683-F734 HydrophobicContact CB-CD1 4.23Å; A683-F734 HydrophobicContact CB-CE1 3.81Å; A683-F734 HydrophobicContact CB-CE2 4.21Å; A683-F734 HydrophobicContact CB-CZ 3.8Å; A683-F734 WeakPolarHBondContact O-CZ 3.42Å; M686-F734 HydrophobicContact CG-CE1 4.45Å; M686-F734 HydrophobicContact SD-CD1 4.32Å; M686-F734 HydrophobicContact SD-CE1 3.91Å; L730-F734 WeakPolarHBondContact O-CB 3.39Å; L730-F734 PolarHBondContact O-N 3.43Å; K731-F734 WeakPolarHBondContact O-CB 3.27Å; K731-F734 PolarHBondContact O-N 3.28Å; E732-F734 PolarHBondContact O-N 3.25Å; F734-Q736 VanDerWaalsContact C-N 3.3Å; F734-Q736 PolarHBondContact O-N 3.18Å; F734-D737 PolarHBondContact O-N 3.13Å; F734-M738 HydrophobicContact CD1-CG 4.06Å; F734-M738 HydrophobicContact CD2-CG 4.45Å; F734-M738 HydrophobicContact CE1-CG 3.7Å; F734-M738 HydrophobicContact CE1-SD 4.31Å; F734-M738 HydrophobicContact CE2-CG 4.12Å; F734-M738 HydrophobicContact CE2-SD 4.18Å; F734-M738 HydrophobicContact CG-CG 4.42Å; F734-M738 HydrophobicContact CZ-CE 4.45Å; F734-M738 HydrophobicContact CZ-CG 3.73Å; F734-M738 HydrophobicContact CZ-SD 3.8Å; F734-M738 WeakPolarHBondContact O-CB 3.41Å; F734-M738 WeakPolarHBondContact O-CG 3.37Å; F734-M738 PolarHBondContact O-N 3.38Å
735	Q	92.8	Very high	92.4	Very high	10 Å²	10	57.5 Å²	57.5	5%	0.047	27%	0.274	C	S	.	.	H	α-helix	trans	-63.9	-35.5	178.2	-68	173.5	-41.8	0	0	112.4	M686 K731 E732 E733 S739 Y749 L750	M686-Q735 HydrophobicContact SD-CG 4.24Å; K731-Q735 WeakPolarHBondContact O-CG 3.44Å; K731-Q735 PolarHBondContact O-N 2.96Å; E732-Q735 PolarHBondContact O-N 3Å; E733-Q735 PolarHBondContact O-N 3.2Å; Q735-S739 WeakPolarHBondContact O-CB 3.36Å; Q735-S739 PolarHBondContact O-N 2.91Å; Q735-S739 PolarHBondContact O-OG 3.42Å; Q735-Y749 PolarHBondContact NE2-O 2.88Å; Q735-Y749 VanDerWaalsContact NE2-O 3.17Å; Q735-L750 HydrophobicContact CB-CD2 4.01Å
736	Q	91.9	Very high	92	Very high	90 Å²	90	54.4 Å²	54.4	42%	0.421	26%	0.258	S	S	.	.	H	α-helix	trans	-66.3	-44.3	173.2	-70.5	174.4	20.1	0	0	111.7	E732 E733 F734 M738 S739 R740	E732-Q736 VanDerWaalsContact O-CG 3.31Å; E732-Q736 WeakPolarHBondContact O-CG 3.36Å; E732-Q736 PolarHBondContact O-N 3.49Å; E733-Q736 PolarHBondContact O-N 3.25Å; F734-Q736 VanDerWaalsContact C-N 3.3Å; F734-Q736 PolarHBondContact O-N 3.18Å; Q736-M738 VanDerWaalsContact C-N 3.32Å; Q736-M738 PolarHBondContact O-N 3.05Å; Q736-S739 WeakPolarHBondContact O-CB 3.47Å; Q736-S739 PolarHBondContact O-N 3.09Å; Q736-S739 VanDerWaalsContact O-N 3.15Å; Q736-R740 WeakPolarHBondContact O-CG 3.3Å; Q736-R740 PolarHBondContact O-N 2.8Å
737	D	93	Very high	91.3	Very high	44 Å²	44	58.1 Å²	58.1	24%	0.235	28%	0.277	C	S	.	.	H	α-helix	trans	-62.9	-40.2	176.6	-70.6	-23.1	0	0	0	111.6	R673 E733 F734 S739 R740 R741	R673-D737 IonicContact CZ-OD2 2.67Å; R673-D737 VanDerWaalsContact CZ-OD2 3.3Å; R673-D737 IonicContact NH1-OD2 3.68Å; R673-D737 PolarHBondContact NH1-OD2 3.23Å; R673-D737 IonicContact NH2-OD2 3.26Å; R673-D737 PolarHBondContact NH2-OD2 3.05Å; E733-D737 VanDerWaalsContact O-CG 3.28Å; E733-D737 PolarHBondContact O-N 3.21Å; F734-D737 PolarHBondContact O-N 3.13Å; D737-S739 VanDerWaalsContact C-N 3.33Å; D737-S739 PolarHBondContact O-N 2.96Å; D737-R740 PolarHBondContact O-N 3.27Å; D737-R740 IonicContact OD1-NH1 2.69Å; D737-R740 PolarHBondContact OD1-NH1 3.07Å; D737-R740 VanDerWaalsContact OD1-NH1 3.09Å; D737-R741 WeakPolarHBondContact O-CB 3.36Å; D737-R741 PolarHBondContact O-N 3.13Å
738	M	92.6	Very high	90.8	Very high	1 Å²	1	62.1 Å²	62.1	1%	0.005	29%	0.294	C	S	.	.	H	α-helix	trans	-59.9	-43.3	172.1	-71.4	-65.2	-74.4	0	0	111.7	E687 V690 F734 Q736 R740 R741 Y742 A746	E687-M738 HydrophobicContact CB-CE 3.81Å; E687-M738 HydrophobicContact CB-SD 4.28Å; E687-M738 HydrophobicContact CG-CE 3.85Å; E687-M738 HydrophobicContact CG-SD 4.04Å; V690-M738 HydrophobicContact CB-CE 3.86Å; V690-M738 HydrophobicContact CG1-CE 3.26Å; V690-M738 HydrophobicContact CG2-CE 4.46Å; F734-M738 HydrophobicContact CD1-CG 4.06Å; F734-M738 HydrophobicContact CD2-CG 4.45Å; F734-M738 HydrophobicContact CE1-CG 3.7Å; F734-M738 HydrophobicContact CE1-SD 4.31Å; F734-M738 HydrophobicContact CE2-CG 4.12Å; F734-M738 HydrophobicContact CE2-SD 4.18Å; F734-M738 HydrophobicContact CG-CG 4.42Å; F734-M738 HydrophobicContact CZ-CE 4.45Å; F734-M738 HydrophobicContact CZ-CG 3.73Å; F734-M738 HydrophobicContact CZ-SD 3.8Å; F734-M738 WeakPolarHBondContact O-CB 3.41Å; F734-M738 WeakPolarHBondContact O-CG 3.37Å; F734-M738 PolarHBondContact O-N 3.38Å; Q736-M738 VanDerWaalsContact C-N 3.32Å; Q736-M738 PolarHBondContact O-N 3.05Å; M738-R740 VanDerWaalsContact C-N 3.31Å; M738-R740 PolarHBondContact O-N 3.18Å; M738-R741 PolarHBondContact O-N 3.3Å; M738-Y742 HydrophobicContact CE-CD2 3.84Å; M738-Y742 HydrophobicContact CE-CE2 3.78Å; M738-Y742 WeakPolarHBondContact O-CD2 3.44Å; M738-Y742 PolarHBondContact O-N 2.87Å; M738-Y742 HydrophobicContact SD-CD2 3.91Å; M738-Y742 HydrophobicContact SD-CE2 3.63Å; M738-A746 HydrophobicContact CB-CB 4.36Å
739	S	90.8	Very high	90.3	Very high	24 Å²	24	56.6 Å²	56.6	17%	0.168	27%	0.27	C	S	.	.	H	α-helix	trans	-63.1	-37.4	175.9	-55.1	0	0	0	0	112.4	Q735 Q736 D737 G743 L750	Q735-S739 WeakPolarHBondContact O-CB 3.36Å; Q735-S739 PolarHBondContact O-N 2.91Å; Q735-S739 PolarHBondContact O-OG 3.42Å; Q736-S739 WeakPolarHBondContact O-CB 3.47Å; Q736-S739 PolarHBondContact O-N 3.09Å; Q736-S739 VanDerWaalsContact O-N 3.15Å; D737-S739 VanDerWaalsContact C-N 3.33Å; D737-S739 PolarHBondContact O-N 2.96Å; S739-G743 VanDerWaalsContact O-CA 3.23Å; S739-G743 WeakPolarHBondContact O-CA 3.29Å; S739-G743 PolarHBondContact O-N 3.14Å; S739-L750 WeakPolarHBondContact OG-CD1 3.36Å
740	R	90.8	Very high	89.3	Confident	184 Å²	184	57.7 Å²	57.7	69%	0.694	27%	0.274	S	S	*	.	H	α-helix	trans	-70	-38.9	175	-68.2	169.4	-174.3	155.5	-0.6	112.2	Q736 D737 M738	Q736-R740 WeakPolarHBondContact O-CG 3.3Å; Q736-R740 PolarHBondContact O-N 2.8Å; D737-R740 PolarHBondContact O-N 3.27Å; D737-R740 IonicContact OD1-NH1 2.69Å; D737-R740 PolarHBondContact OD1-NH1 3.07Å; D737-R740 VanDerWaalsContact OD1-NH1 3.09Å; M738-R740 VanDerWaalsContact C-N 3.31Å; M738-R740 PolarHBondContact O-N 3.18Å
741	R	92.8	Very high	87.7	Confident	142 Å²	142	61.4 Å²	61.4	54%	0.536	30%	0.297	S	S	.	.	H	α-helix	trans	-78.7	-38.3	-175.4	-167.3	-177.6	-61.2	162.8	1.8	113.1	E687 D737 M738	E687-R741 IonicContact OE1-NH1 3.63Å; E687-R741 PolarHBondContact OE1-NH1 3.41Å; D737-R741 WeakPolarHBondContact O-CB 3.36Å; D737-R741 PolarHBondContact O-N 3.13Å; M738-R741 PolarHBondContact O-N 3.3Å
742	Y	92.7	Very high	85.9	Confident	64 Å²	64	62 Å²	62	25%	0.251	31%	0.307	S	S	.	.	H	α-helix	trans	-116.5	-3	-171.9	-59.5	-76.5	0	0	0	114.3	E687 V690 Q691 M738 F744	E687-Y742 HydrophobicContact CG-CE2 4.27Å; E687-Y742 PolarHBondContact OE1-OH 2.9Å; E687-Y742 VanDerWaalsContact OE1-OH 3.06Å; V690-Y742 HydrophobicContact CB-CD2 4.45Å; V690-Y742 HydrophobicContact CB-CG 4.44Å; V690-Y742 HydrophobicContact CG1-CD1 3.9Å; V690-Y742 HydrophobicContact CG1-CD2 3.38Å; V690-Y742 HydrophobicContact CG1-CE1 4.09Å; V690-Y742 HydrophobicContact CG1-CE2 3.56Å; V690-Y742 HydrophobicContact CG1-CG 3.55Å; V690-Y742 HydrophobicContact CG2-CD2 4.21Å; V690-Y742 HydrophobicContact CG2-CG 3.94Å; Q691-Y742 HydrophobicContact CG-CE1 3.74Å; Q691-Y742 PolarHBondContact NE2-OH 2.89Å; M738-Y742 HydrophobicContact CE-CD2 3.84Å; M738-Y742 HydrophobicContact CE-CE2 3.78Å; M738-Y742 WeakPolarHBondContact O-CD2 3.44Å; M738-Y742 PolarHBondContact O-N 2.87Å; M738-Y742 HydrophobicContact SD-CD2 3.91Å; M738-Y742 HydrophobicContact SD-CE2 3.63Å; Y742-F744 PolarHBondContact O-N 3.22Å
743	G	90.1	Very high	83.9	Confident	36 Å²	36	61.3 Å²	61.3	37%	0.371	30%	0.304	S	S	.	.	G	3₁₀ helix	trans	61.6	-131.3	174.6	0	0	0	0	0	113.1	S739 A745 A746	S739-G743 VanDerWaalsContact O-CA 3.23Å; S739-G743 WeakPolarHBondContact O-CA 3.29Å; S739-G743 PolarHBondContact O-N 3.14Å; G743-A745 VanDerWaalsContact C-N 3.25Å; G743-A745 PolarHBondContact O-N 2.96Å; G743-A746 PolarHBondContact O-N 2.83Å; G743-A746 VanDerWaalsContact O-N 3.08Å
744	F	83	Confident	81.7	Confident	179 Å²	179	66 Å²	66	79%	0.785	33%	0.33	S	S	*	.	G	3₁₀ helix	trans	-57.2	-34.8	-172.8	-173.2	-92.7	0	0	0	113.5	Y742 A746 L747	Y742-F744 PolarHBondContact O-N 3.22Å; F744-A746 PolarHBondContact O-N 2.92Å; F744-A746 VanDerWaalsContact O-N 3.13Å; F744-L747 HydrophobicContact CB-CD1 4.41Å; F744-L747 HydrophobicContact CD2-CD1 3.43Å; F744-L747 VanDerWaalsContact CD2-CD1 3.43Å; F744-L747 HydrophobicContact CE2-CD1 3.89Å; F744-L747 HydrophobicContact CG-CD1 4.11Å; F744-L747 WeakPolarHBondContact O-CB 3.41Å; F744-L747 PolarHBondContact O-N 3.03Å; F744-L747 VanDerWaalsContact O-N 3.11Å
745	A	84.3	Confident	78.9	Confident	42 Å²	42	73.3 Å²	73.3	35%	0.347	37%	0.369	S	S	.	.	G	3₁₀ helix	trans	-59.2	-26.6	179.7	0	0	0	0	0	113	V690 G743	V690-A745 HydrophobicContact CG2-CB 3.81Å; G743-A745 VanDerWaalsContact C-N 3.25Å; G743-A745 PolarHBondContact O-N 2.96Å
746	A	85.4	Confident	76.2	Confident	0 Å²	0	79.3 Å²	79.3	0%	0	41%	0.413	C	S	.	.	G	3₁₀ helix	trans	-90.7	-11.8	-179.2	0	0	0	0	0	114.4	V690 M738 G743 F744 K748 Y749	V690-A746 HydrophobicContact CG2-CB 3.93Å; M738-A746 HydrophobicContact CB-CB 4.36Å; G743-A746 PolarHBondContact O-N 2.83Å; G743-A746 VanDerWaalsContact O-N 3.08Å; F744-A746 PolarHBondContact O-N 2.92Å; F744-A746 VanDerWaalsContact O-N 3.13Å; A746-K748 PolarHBondContact O-N 3.03Å; A746-K748 VanDerWaalsContact O-N 3.13Å; A746-Y749 HydrophobicContact CB-CD2 4.01Å; A746-Y749 HydrophobicContact CB-CE2 4.2Å; A746-Y749 WeakPolarHBondContact O-CD2 3.22Å; A746-Y749 PolarHBondContact O-N 3.32Å
747	L	79.6	Confident	75.4	Confident	80 Å²	80	78.8 Å²	78.8	42%	0.419	41%	0.412	S	S	.	.	H	α-helix	trans	-60.5	-28.6	-175.2	-73.8	172.3	0	0	0	113	F744 Y749 L750 T751	F744-L747 HydrophobicContact CB-CD1 4.41Å; F744-L747 HydrophobicContact CD2-CD1 3.43Å; F744-L747 VanDerWaalsContact CD2-CD1 3.43Å; F744-L747 HydrophobicContact CE2-CD1 3.89Å; F744-L747 HydrophobicContact CG-CD1 4.11Å; F744-L747 WeakPolarHBondContact O-CB 3.41Å; F744-L747 PolarHBondContact O-N 3.03Å; F744-L747 VanDerWaalsContact O-N 3.11Å; L747-Y749 PolarHBondContact O-N 3.3Å; L747-L750 HydrophobicContact CD2-CD1 4.31Å; L747-L750 PolarHBondContact O-N 3.27Å; L747-T751 PolarHBondContact O-N 3.22Å; L747-T751 PolarHBondContact O-OG1 3.11Å
748	K	84.5	Confident	74.4	Confident	97 Å²	97	80.6 Å²	80.6	42%	0.422	42%	0.422	S	S	.	.	H	α-helix	trans	-60.8	-22.4	176.9	70.6	-179.7	-175.9	177.5	0	113.4	D689 A746 T751	D689-K748 IonicContact OD1-NZ 2.99Å; D689-K748 PolarHBondContact OD1-NZ 3.4Å; D689-K748 WeakPolarHBondContact OD2-CE 3.28Å; D689-K748 IonicContact OD2-NZ 3.03Å; D689-K748 PolarHBondContact OD2-NZ 3.21Å; A746-K748 PolarHBondContact O-N 3.03Å; A746-K748 VanDerWaalsContact O-N 3.13Å; K748-T751 PolarHBondContact O-OG1 2.75Å
749	Y	84.2	Confident	73.4	Confident	1 Å²	1	85.1 Å²	85.1	0%	0.004	45%	0.445	C	S	.	.	H	α-helix	trans	-84	-25.9	179.9	-49	-54.3	0	0	0	113.3	W653 M686 D689 V690 Q735 A746 L747	W653-Y749 HydrophobicContact CD2-CE1 4.32Å; W653-Y749 HydrophobicContact CE3-CD1 4.49Å; W653-Y749 HydrophobicContact CE3-CE1 4Å; W653-Y749 AromaticContact CH2-CD1 3.51Å; W653-Y749 HydrophobicContact CH2-CD1 3.51Å; W653-Y749 AromaticContact CH2-CE1 3.71Å; W653-Y749 HydrophobicContact CH2-CE1 3.71Å; W653-Y749 HydrophobicContact CZ2-CD1 4.12Å; W653-Y749 HydrophobicContact CZ2-CE1 4.03Å; W653-Y749 AromaticContact CZ3-CD1 3.72Å; W653-Y749 HydrophobicContact CZ3-CD1 3.72Å; W653-Y749 AromaticContact CZ3-CE1 3.69Å; W653-Y749 HydrophobicContact CZ3-CE1 3.69Å; M686-Y749 HydrophobicContact CE-CD1 4.01Å; M686-Y749 HydrophobicContact CE-CG 4.23Å; M686-Y749 HydrophobicContact CG-CD1 3.88Å; M686-Y749 HydrophobicContact CG-CD2 4.07Å; M686-Y749 HydrophobicContact CG-CE1 3.79Å; M686-Y749 HydrophobicContact CG-CE2 3.99Å; M686-Y749 HydrophobicContact CG-CG 4.03Å; M686-Y749 PolarHBondContact O-OH 3.31Å; M686-Y749 HydrophobicContact SD-CD1 4.09Å; M686-Y749 HydrophobicContact SD-CD2 4.18Å; M686-Y749 HydrophobicContact SD-CG 3.87Å; D689-Y749 WeakPolarHBondContact CB-OH 3.37Å; D689-Y749 VanDerWaalsContact CG-OH 3.31Å; D689-Y749 WeakPolarHBondContact OD2-CE1 3.47Å; D689-Y749 PolarHBondContact OD2-OH 3.46Å; V690-Y749 WeakPolarHBondContact CA-OH 3.33Å; V690-Y749 HydrophobicContact CB-CE2 3.8Å; V690-Y749 HydrophobicContact CG2-CE2 3.75Å; V690-Y749 PolarHBondContact N-OH 2.97Å; Q735-Y749 PolarHBondContact NE2-O 2.88Å; Q735-Y749 VanDerWaalsContact NE2-O 3.17Å; A746-Y749 HydrophobicContact CB-CD2 4.01Å; A746-Y749 HydrophobicContact CB-CE2 4.2Å; A746-Y749 WeakPolarHBondContact O-CD2 3.22Å; A746-Y749 PolarHBondContact O-N 3.32Å; L747-Y749 PolarHBondContact O-N 3.3Å
750	L	74.7	Confident	72.4	Confident	67 Å²	67	88.6 Å²	88.6	35%	0.351	46%	0.461	S	S	.	.	H	α-helix	trans	-77	-34.1	177.2	-67.1	175	0	0	0	111.7	Q735 S739 L747	Q735-L750 HydrophobicContact CB-CD2 4.01Å; S739-L750 WeakPolarHBondContact OG-CD1 3.36Å; L747-L750 HydrophobicContact CD2-CD1 4.31Å; L747-L750 PolarHBondContact O-N 3.27Å
751	T	61.8	Low	71.3	Confident	82 Å²	82	82.7 Å²	82.7	50%	0.503	45%	0.446	S	S	.	.	H	α-helix	trans	-79.1	-24.6	179.7	48.8	0	0	0	0	113.4	L747 K748 E753 N754	L747-T751 PolarHBondContact O-N 3.22Å; L747-T751 PolarHBondContact O-OG1 3.11Å; K748-T751 PolarHBondContact O-OG1 2.75Å; T751-E753 PolarHBondContact O-N 2.77Å; T751-N754 PolarHBondContact O-N 2.99Å
752	A	55.6	Low	69.8	Low	40 Å²	40	78.7 Å²	78.7	33%	0.331	44%	0.44	S	S	.	.	H	α-helix	trans	-60.7	-27.7	-177.9	0	0	0	0	0	113.8
753	E	52.2	Low	68.2	Low	56 Å²	56	79.8 Å²	79.8	26%	0.262	45%	0.454	S	S	.	.	H	α-helix	trans	-87.9	-30.3	175.6	-77.1	-158.6	143.3	0	0	114.1	K731 T751 N755 S756	K731-E753 WeakPolarHBondContact CE-OE1 3.26Å; K731-E753 IonicContact NZ-OE1 2.78Å; K731-E753 PolarHBondContact NZ-OE1 2.77Å; T751-E753 PolarHBondContact O-N 2.77Å; E753-N755 PolarHBondContact O-N 2.66Å; E753-N755 VanDerWaalsContact O-N 3.12Å; E753-S756 WeakPolarHBondContact CA-OG 3.43Å; E753-S756 PolarHBondContact O-N 2.81Å; E753-S756 PolarHBondContact O-OG 3.01Å; E753-S756 VanDerWaalsContact O-OG 3.11Å
754	N	46.9	Very low	66.5	Low	146 Å²	146	83.2 Å²	83.2	78%	0.781	46%	0.46	S	S	*	.	H	α-helix	trans	-66.6	-15.5	178.5	-82.2	-10.6	0	0	0	112.9	T751	T751-N754 PolarHBondContact O-N 2.99Å
755	N	37.6	Very low	65.1	Low	154 Å²	154	75.2 Å²	75.2	82%	0.824	43%	0.433	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.8	1.5	178.2	-71.4	-18	0	0	0	114.1	E753	E753-N755 PolarHBondContact O-N 2.66Å; E753-N755 VanDerWaalsContact O-N 3.12Å
756	S	35	Very low	63.4	Low	137 Å²	137	78.2 Å²	78.2	96%	0.958	44%	0.441	S	S	*	.			trans	-110.9	0	179.3	66.9	0	0	0	0	111.8	E753	E753-S756 WeakPolarHBondContact CA-OG 3.43Å; E753-S756 PolarHBondContact O-N 2.81Å; E753-S756 PolarHBondContact O-OG 3.01Å; E753-S756 VanDerWaalsContact O-OG 3.11Å

Retrieved 756 of 756 residues in 158.1 ms (Link to these results)

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