A0A3Q0KGN3_SCHMA Loading...

Sulfide:quinone oxidoreductase, mitochondrial AlphaSync

Catalyzes the oxidation of hydrogen sulfide with the help of a quinone, such as ubiquinone-10, giving rise to thiosulfate and ultimately to sulfane (molecular sulfur) atoms. Requires an additional electron acceptor; can use sulfite, sulfide or cyanide (in vitro). It is believed the in vivo electron acceptor is glutathione.

AlphaFold DB , UniProt , Accession A0A3Q0KGN3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 494 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	38	Very low	41.1	Very low	222 Å²	222	136.4 Å²	136.4	100%	1.094	65%	0.653	S	S	*	*				0	-47.4	0	-83.9	171.2	-176.7	0	0	113.2	R3 L4	M1-R3 PolarHBondContact O-N 3.25Å; M1-L4 PolarHBondContact O-N 3.14Å
2	F	36.3	Very low	40.9	Very low	177 Å²	177	139.1 Å²	139.1	78%	0.776	66%	0.664	S	S	*	*	H	α-helix	trans	-57.3	-22	-177.8	-128.9	-94.4	0	0	0	116.4
3	R	45.4	Very low	41.1	Very low	227 Å²	227	143.3 Å²	143.3	86%	0.857	68%	0.678	S	S	*	*	H	α-helix	trans	-83.2	-15.5	177.5	-73.6	-172.9	176.4	-175.4	-0.9	114.6	M1	M1-R3 PolarHBondContact O-N 3.25Å
4	L	40.6	Very low	40.9	Very low	111 Å²	111	140.2 Å²	140.2	58%	0.581	67%	0.665	S	S	*	*	H	α-helix	trans	-84.3	-32.3	-179.5	-126.9	89	0	0	0	112.4	M1 I6 V7 C8	M1-L4 PolarHBondContact O-N 3.14Å; L4-I6 VanDerWaalsContact C-N 3.27Å; L4-I6 PolarHBondContact O-N 3.09Å; L4-V7 PolarHBondContact O-N 3.34Å; L4-C8 PolarHBondContact O-N 3.1Å; L4-C8 VanDerWaalsContact O-N 3.1Å
5	E	37.2	Very low	40.7	Very low	114 Å²	114	147.2 Å²	147.2	53%	0.533	68%	0.682	S	S	.	*	H	α-helix	trans	-61.7	-33.9	179.3	-96.1	-169.7	138.3	0	0	113.1	K9	E5-K9 WeakPolarHBondContact O-CB 3.4Å; E5-K9 WeakPolarHBondContact O-CG 3.46Å; E5-K9 PolarHBondContact O-N 3.43Å
6	I	46.3	Very low	40.5	Very low	109 Å²	109	144.1 Å²	144.1	56%	0.559	67%	0.672	S	S	*	*	H	α-helix	trans	-68.1	-38.7	179.2	-65	175.5	0	0	0	110.7	L4 L10	L4-I6 VanDerWaalsContact C-N 3.27Å; L4-I6 PolarHBondContact O-N 3.09Å; I6-L10 HydrophobicContact CG2-CD1 4.23Å; I6-L10 PolarHBondContact O-N 2.85Å; I6-L10 VanDerWaalsContact O-N 3.13Å
7	V	44.8	Very low	40.4	Very low	79 Å²	79	141.5 Å²	141.5	48%	0.479	67%	0.67	S	S	.	*	H	α-helix	trans	-70.3	-43.3	178.6	-177.5	0	0	0	0	110.2	L4 K9 L10 F11	L4-V7 PolarHBondContact O-N 3.34Å; V7-K9 PolarHBondContact O-N 2.8Å; V7-L10 WeakPolarHBondContact O-CB 3.47Å; V7-L10 PolarHBondContact O-N 3.37Å; V7-F11 HydrophobicContact CG1-CD2 4.07Å; V7-F11 HydrophobicContact CG1-CE2 3.92Å; V7-F11 VanDerWaalsContact O-CD2 3.29Å; V7-F11 WeakPolarHBondContact O-CD2 3.25Å; V7-F11 PolarHBondContact O-N 3.06Å
8	C	40.7	Very low	40.5	Very low	81 Å²	81	141.4 Å²	141.4	55%	0.547	68%	0.675	S	S	.	*	H	α-helix	trans	-66.3	-36.6	177.3	-66.8	0	0	0	0	113	L4 L10 F11 H12	L4-C8 PolarHBondContact O-N 3.1Å; L4-C8 VanDerWaalsContact O-N 3.1Å; C8-L10 VanDerWaalsContact C-N 3.32Å; C8-L10 PolarHBondContact O-N 3.08Å; C8-F11 PolarHBondContact O-N 3.06Å; C8-H12 PolarHBondContact O-N 2.63Å
9	K	41.7	Very low	40.5	Very low	143 Å²	143	143.7 Å²	143.7	62%	0.622	69%	0.685	S	S	*	*	H	α-helix	trans	-66.8	-32.5	174.7	-80.6	-177.7	176.9	174.7	0	112.8	E5 V7 F11 H12	E5-K9 WeakPolarHBondContact O-CB 3.4Å; E5-K9 WeakPolarHBondContact O-CG 3.46Å; E5-K9 PolarHBondContact O-N 3.43Å; V7-K9 PolarHBondContact O-N 2.8Å; K9-F11 VanDerWaalsContact C-N 3.35Å; K9-H12 PolarHBondContact O-N 2.67Å
10	L	42.1	Very low	40.6	Very low	117 Å²	117	143.3 Å²	143.3	61%	0.613	68%	0.682	S	S	*	*	H	α-helix	trans	-65.7	-37.1	173.4	-101.6	146.2	0	0	0	112.2	I6 V7 C8	I6-L10 HydrophobicContact CG2-CD1 4.23Å; I6-L10 PolarHBondContact O-N 2.85Å; I6-L10 VanDerWaalsContact O-N 3.13Å; V7-L10 WeakPolarHBondContact O-CB 3.47Å; V7-L10 PolarHBondContact O-N 3.37Å; C8-L10 VanDerWaalsContact C-N 3.32Å; C8-L10 PolarHBondContact O-N 3.08Å
11	F	38.9	Very low	40.4	Very low	120 Å²	120	143 Å²	143	53%	0.526	68%	0.682	S	S	.	*	H	α-helix	trans	-75.7	-30.5	176.3	-80.9	-76.4	0	0	0	113.3	V7 C8 K9 F13 M14	V7-F11 HydrophobicContact CG1-CD2 4.07Å; V7-F11 HydrophobicContact CG1-CE2 3.92Å; V7-F11 VanDerWaalsContact O-CD2 3.29Å; V7-F11 WeakPolarHBondContact O-CD2 3.25Å; V7-F11 PolarHBondContact O-N 3.06Å; C8-F11 PolarHBondContact O-N 3.06Å; K9-F11 VanDerWaalsContact C-N 3.35Å; F11-F13 PolarHBondContact O-N 3.32Å; F11-M14 HydrophobicContact CD1-CE 3.56Å; F11-M14 HydrophobicContact CE1-CE 3.56Å; F11-M14 HydrophobicContact CG-CE 4.47Å; F11-M14 HydrophobicContact CZ-CE 4.47Å; F11-M14 PolarHBondContact O-N 3.07Å; F11-M14 VanDerWaalsContact O-O 3.09Å
12	H	38.4	Very low	40.3	Very low	169 Å²	169	140.4 Å²	140.4	78%	0.782	67%	0.667	S	S	*	*	H	α-helix	trans	-67.3	-22.3	178.6	-139.9	-33.1	0	0	0	113.5	C8 K9 M14	C8-H12 PolarHBondContact O-N 2.63Å; K9-H12 PolarHBondContact O-N 2.67Å; H12-M14 VanDerWaalsContact C-N 3.31Å
13	F	44.2	Very low	40.5	Very low	194 Å²	194	137.6 Å²	137.6	85%	0.851	66%	0.664	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.5	-19.4	172.2	-107.7	-84.2	0	0	0	113.4	F11 R15	F11-F13 PolarHBondContact O-N 3.32Å; F13-R15 PolarHBondContact O-N 3.37Å
14	M	37.5	Very low	40.1	Very low	100 Å²	100	135.4 Å²	135.4	49%	0.493	66%	0.661	S	S	.	*	S	Bend	trans	-92.7	96.1	173	-61.8	-160.8	-68.7	0	0	107.6	F11 H12 L16	F11-M14 HydrophobicContact CD1-CE 3.56Å; F11-M14 HydrophobicContact CE1-CE 3.56Å; F11-M14 HydrophobicContact CG-CE 4.47Å; F11-M14 HydrophobicContact CZ-CE 4.47Å; F11-M14 PolarHBondContact O-N 3.07Å; F11-M14 VanDerWaalsContact O-O 3.09Å; H12-M14 VanDerWaalsContact C-N 3.31Å; M14-L16 HydrophobicContact CB-CD1 4.41Å; M14-L16 HydrophobicContact CB-CG 4.2Å; M14-L16 PolarHBondContact O-N 3.09Å
15	R	39	Very low	39.8	Very low	245 Å²	245	134.5 Å²	134.5	93%	0.925	66%	0.664	S	S	*	*			trans	-62.9	69.5	169.5	-78.5	-178.2	174.9	174.2	-1.8	110.2	F13	F13-R15 PolarHBondContact O-N 3.37Å
16	L	37.5	Very low	39.8	Very low	97 Å²	97	136.9 Å²	136.9	51%	0.508	67%	0.672	S	S	.	*			trans	-78.7	136.1	172.9	-69.1	171.7	0	0	0	108.7	M14	M14-L16 HydrophobicContact CB-CD1 4.41Å; M14-L16 HydrophobicContact CB-CG 4.2Å; M14-L16 PolarHBondContact O-N 3.09Å
17	P	37.6	Very low	39.7	Very low	100 Å²	100	137.1 Å²	137.1	65%	0.649	68%	0.681	S	S	*	*			trans	-57.8	143	-178.3	-23.2	34	0	0	0	112.3	E19 E20	P17-E19 PolarHBondContact O-N 3.46Å; P17-E20 PolarHBondContact O-N 2.83Å
18	N	42.7	Very low	40	Very low	140 Å²	140	138 Å²	138	75%	0.749	69%	0.687	S	S	*	*	G	3₁₀ helix	trans	-56	-16.4	-170.8	-77.2	-27.1	0	0	0	115.8	E20 M21	N18-E20 VanDerWaalsContact C-N 3.3Å; N18-E20 PolarHBondContact O-N 2.89Å; N18-M21 PolarHBondContact O-N 3.2Å
19	E	41.1	Very low	40.4	Very low	185 Å²	185	140.4 Å²	140.4	86%	0.864	69%	0.693	S	S	*	*	G	3₁₀ helix	trans	-72.6	-16.8	-178.5	-71.5	-177	165.8	0	0	113.9	P17	P17-E19 PolarHBondContact O-N 3.46Å
20	E	42.2	Very low	40.5	Very low	136 Å²	136	140.9 Å²	140.9	64%	0.636	70%	0.696	S	S	*	*	G	3₁₀ helix	trans	-93.2	-6.2	175.9	-69.3	-167.5	164.2	0	0	114.4	P17 N18 E22	P17-E20 PolarHBondContact O-N 2.83Å; N18-E20 VanDerWaalsContact C-N 3.3Å; N18-E20 PolarHBondContact O-N 2.89Å; E20-E22 VanDerWaalsContact C-N 3.34Å; E20-E22 PolarHBondContact O-N 3.24Å
21	M	35.7	Very low	40.8	Very low	138 Å²	138	139.9 Å²	139.9	68%	0.68	70%	0.695	S	S	*	*	G	3₁₀ helix	trans	-77	-18	179.4	-74.2	-115.8	-64	0	0	113.7	N18 V23 F24	N18-M21 PolarHBondContact O-N 3.2Å; M21-V23 PolarHBondContact O-N 3.43Å; M21-F24 PolarHBondContact O-N 3.34Å
22	E	36.1	Very low	41	Very low	167 Å²	167	143.2 Å²	143.2	78%	0.78	70%	0.704	S	S	*	*	G	3₁₀ helix	trans	-73.4	-13.6	-176.8	-121.7	-173.5	178	0	0	113.9	E20 F24	E20-E22 VanDerWaalsContact C-N 3.34Å; E20-E22 PolarHBondContact O-N 3.24Å; E22-F24 VanDerWaalsContact C-N 3.28Å; E22-F24 PolarHBondContact O-N 2.94Å
23	V	40.4	Very low	41.6	Very low	117 Å²	117	139.6 Å²	139.6	71%	0.709	69%	0.693	S	S	*	*	G	3₁₀ helix	trans	-76.2	-17.2	177.9	-178.6	0	0	0	0	112.2	M21	M21-V23 PolarHBondContact O-N 3.43Å
24	F	37.1	Very low	41.6	Very low	182 Å²	182	136.6 Å²	136.6	80%	0.798	68%	0.68	S	S	*	*	G	3₁₀ helix	trans	-104.6	-0.6	-171.7	-67.4	-74.9	0	0	0	115.8	M21 E22	M21-F24 PolarHBondContact O-N 3.34Å; E22-F24 VanDerWaalsContact C-N 3.28Å; E22-F24 PolarHBondContact O-N 2.94Å
25	S	35.2	Very low	42	Very low	91 Å²	91	134.3 Å²	134.3	64%	0.636	68%	0.677	S	S	*	*			trans	-90.2	2.7	-178.7	65.6	0	0	0	0	115.3	P27	S25-P27 WeakPolarHBondContact O-CD 3.44Å
26	K	36.5	Very low	42.4	Very low	164 Å²	164	127.8 Å²	127.8	71%	0.713	66%	0.66	S	S	*	*			trans	-95.2	114.9	176.2	-73.7	-176.6	179.2	173.4	0	111.7	T28	K26-T28 PolarHBondContact O-N 2.98Å
27	P	44	Very low	43	Very low	114 Å²	114	126.6 Å²	126.6	74%	0.74	66%	0.66	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76	33.7	-171.6	30.7	-34.3	0	0	0	114.7	S25 T31	S25-P27 WeakPolarHBondContact O-CD 3.44Å; P27-T31 PolarHBondContact O-OG1 2.71Å; P27-T31 VanDerWaalsContact O-OG1 3.11Å
28	T	52.4	Low	43.3	Very low	98 Å²	98	126.6 Å²	126.6	60%	0.601	65%	0.653	S	S	*	*	T	Hydrogen-bonded Turn	trans	-107	-18.3	-174.6	49.8	0	0	0	0	114.8	K26	K26-T28 PolarHBondContact O-N 2.98Å
29	L	47.3	Very low	43.2	Very low	131 Å²	131	129.7 Å²	129.7	69%	0.686	66%	0.655	S	S	*	*	H	α-helix	trans	-89.6	-42.5	-176.6	-156.1	75.3	0	0	0	113	T31 R32 V33	L29-T31 PolarHBondContact O-N 3.42Å; L29-R32 PolarHBondContact O-N 3.33Å; L29-V33 PolarHBondContact O-N 3.16Å; L29-V33 VanDerWaalsContact O-N 3.11Å
30	F	44.2	Very low	43.4	Very low	153 Å²	153	126.5 Å²	126.5	67%	0.671	64%	0.643	S	S	*	*	H	α-helix	trans	-67.8	-37	-174.1	-138.1	-92.7	0	0	0	112.5	R32 V33 F34	F30-R32 VanDerWaalsContact C-N 3.33Å; F30-R32 PolarHBondContact O-N 2.82Å; F30-V33 PolarHBondContact O-N 3.34Å; F30-F34 PolarHBondContact O-N 3.47Å; F30-F34 VanDerWaalsContact O-N 3.13Å
31	T	48.6	Very low	43.4	Very low	96 Å²	96	127.6 Å²	127.6	59%	0.589	65%	0.65	S	S	*	*	H	α-helix	trans	-67	-32.9	175.5	-3.8	0	0	0	0	112.1	P27 L29 A35	P27-T31 PolarHBondContact O-OG1 2.71Å; P27-T31 VanDerWaalsContact O-OG1 3.11Å; L29-T31 PolarHBondContact O-N 3.42Å; T31-A35 WeakPolarHBondContact O-CB 2.97Å; T31-A35 PolarHBondContact O-N 2.77Å
32	R	44.1	Very low	43.5	Very low	191 Å²	191	125.5 Å²	125.5	72%	0.721	65%	0.65	S	S	*	*	H	α-helix	trans	-72	-40.2	175.7	-86	-175.8	168.3	-175.5	-1.8	112.5	L29 F30 A35 L36	L29-R32 PolarHBondContact O-N 3.33Å; F30-R32 VanDerWaalsContact C-N 3.33Å; F30-R32 PolarHBondContact O-N 2.82Å; R32-A35 PolarHBondContact O-N 2.76Å; R32-L36 WeakPolarHBondContact O-CB 3.35Å; R32-L36 PolarHBondContact O-N 3.14Å
33	V	50.8	Low	44	Very low	92 Å²	92	121.2 Å²	121.2	56%	0.558	64%	0.638	S	S	*	*	H	α-helix	trans	-65.7	-40.8	177.2	177.9	0	0	0	0	110.8	L29 F30 L36 S37	L29-V33 PolarHBondContact O-N 3.16Å; L29-V33 VanDerWaalsContact O-N 3.11Å; F30-V33 PolarHBondContact O-N 3.34Å; V33-L36 PolarHBondContact O-N 3.39Å; V33-S37 PolarHBondContact O-N 2.62Å
34	F	42.9	Very low	44.3	Very low	131 Å²	131	121.3 Å²	121.3	58%	0.575	64%	0.639	S	S	*	*	H	α-helix	trans	-67.7	-40.8	177.2	-128.1	-90.6	0	0	0	112.5	F30 L36 S37 I38	F30-F34 PolarHBondContact O-N 3.47Å; F30-F34 VanDerWaalsContact O-N 3.13Å; F34-L36 PolarHBondContact O-N 2.79Å; F34-S37 PolarHBondContact O-N 2.49Å; F34-I38 HydrophobicContact CD1-CD1 4.13Å; F34-I38 WeakPolarHBondContact O-CG1 3.26Å; F34-I38 PolarHBondContact O-N 2.88Å
35	A	47.8	Very low	45.1	Very low	52 Å²	52	120.4 Å²	120.4	43%	0.43	64%	0.642	S	S	.	*	H	α-helix	trans	-66.7	-34.7	175.9	0	0	0	0	0	113.1	T31 R32 I38 R39	T31-A35 WeakPolarHBondContact O-CB 2.97Å; T31-A35 PolarHBondContact O-N 2.77Å; R32-A35 PolarHBondContact O-N 2.76Å; A35-I38 PolarHBondContact O-N 3.07Å; A35-R39 WeakPolarHBondContact O-CB 3.44Å; A35-R39 PolarHBondContact O-N 3.15Å
36	L	47.4	Very low	46.5	Very low	109 Å²	109	124.3 Å²	124.3	57%	0.571	65%	0.65	S	S	*	*	H	α-helix	trans	-67.4	-36.8	171.6	-91.3	151.4	0	0	0	111.9	R32 V33 F34 N40	R32-L36 WeakPolarHBondContact O-CB 3.35Å; R32-L36 PolarHBondContact O-N 3.14Å; V33-L36 PolarHBondContact O-N 3.39Å; F34-L36 PolarHBondContact O-N 2.79Å; L36-N40 WeakPolarHBondContact O-CB 3.47Å; L36-N40 PolarHBondContact O-N 3.17Å
37	S	49	Very low	48.6	Very low	72 Å²	72	121.1 Å²	121.1	50%	0.503	64%	0.638	S	S	.	*	H	α-helix	trans	-67.8	-36	176.2	-140.9	0	0	0	0	112.3	V33 F34 M41	V33-S37 PolarHBondContact O-N 2.62Å; F34-S37 PolarHBondContact O-N 2.49Å; S37-M41 WeakPolarHBondContact O-CG 3.28Å; S37-M41 PolarHBondContact O-N 3.11Å
38	I	43.7	Very low	50.9	Low	99 Å²	99	118.1 Å²	118.1	51%	0.508	62%	0.619	S	S	.	*	H	α-helix	trans	-75.7	-39.3	176.4	-63.3	172	0	0	0	111.3	F34 A35 N40 M41	F34-I38 HydrophobicContact CD1-CD1 4.13Å; F34-I38 WeakPolarHBondContact O-CG1 3.26Å; F34-I38 PolarHBondContact O-N 2.88Å; A35-I38 PolarHBondContact O-N 3.07Å; I38-N40 VanDerWaalsContact C-N 3.3Å; I38-N40 PolarHBondContact O-N 3.17Å; I38-M41 PolarHBondContact O-N 3.11Å
39	R	40.4	Very low	53	Low	206 Å²	206	119.6 Å²	119.6	78%	0.777	62%	0.617	S	S	*	*	H	α-helix	trans	-65.1	-32	175.4	-85.5	-175	175.2	179.1	-1.1	113.1	A35 M41 S42	A35-R39 WeakPolarHBondContact O-CB 3.44Å; A35-R39 PolarHBondContact O-N 3.15Å; R39-M41 VanDerWaalsContact C-N 3.28Å; R39-M41 PolarHBondContact O-N 3.19Å; R39-S42 PolarHBondContact O-N 3.45Å
40	N	44.7	Very low	55.4	Low	117 Å²	117	114 Å²	114	63%	0.626	59%	0.587	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.8	-13	173	-76.4	-8.5	0	0	0	113.7	L36 I38 S43	L36-N40 WeakPolarHBondContact O-CB 3.47Å; L36-N40 PolarHBondContact O-N 3.17Å; I38-N40 VanDerWaalsContact C-N 3.3Å; I38-N40 PolarHBondContact O-N 3.17Å; N40-S43 PolarHBondContact O-OG 2.94Å
41	M	42.4	Very low	58	Low	159 Å²	159	109.3 Å²	109.3	78%	0.783	57%	0.566	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.2	-12.2	171.5	-76.4	178.3	67.4	0	0	113.1	S37 I38 R39	S37-M41 WeakPolarHBondContact O-CG 3.28Å; S37-M41 PolarHBondContact O-N 3.11Å; I38-M41 PolarHBondContact O-N 3.11Å; R39-M41 VanDerWaalsContact C-N 3.28Å; R39-M41 PolarHBondContact O-N 3.19Å
42	S	38.6	Very low	60.4	Low	95 Å²	95	104.8 Å²	104.8	66%	0.664	54%	0.538	S	S	*	.	S	Bend	trans	-103.4	-0.1	-179.9	-53	0	0	0	0	114.1	R39 T44	R39-S42 PolarHBondContact O-N 3.45Å; S42-T44 PolarHBondContact O-N 3.25Å; S42-T44 VanDerWaalsContact O-N 3.16Å
43	S	47.4	Very low	63	Low	76 Å²	76	95.7 Å²	95.7	53%	0.531	50%	0.504	S	S	.	.	S	Bend	trans	-66.9	114.7	161.2	58.2	0	0	0	0	106.8	N40 N45	N40-S43 PolarHBondContact O-OG 2.94Å; S43-N45 PolarHBondContact O-N 2.93Å
44	T	46.5	Very low	65.2	Low	120 Å²	120	91.3 Å²	91.3	74%	0.736	48%	0.478	S	S	*	.			trans	-32.2	113.8	167.7	43.1	0	0	0	0	108.7	S42 Q46	S42-T44 PolarHBondContact O-N 3.25Å; S42-T44 VanDerWaalsContact O-N 3.16Å; T44-Q46 PolarHBondContact O-N 3.49Å
45	N	52.6	Low	67.9	Low	162 Å²	162	85.2 Å²	85.2	87%	0.866	45%	0.451	S	S	*	.			trans	-66.6	75.6	-172.6	-154.8	13.8	0	0	0	108	S43 Q47	S43-N45 PolarHBondContact O-N 2.93Å; N45-Q47 PolarHBondContact O-N 3.34Å
46	Q	65.5	Low	70.2	Confident	173 Å²	173	83 Å²	83	81%	0.808	43%	0.434	S	S	*	.			trans	-76	105	-169.4	-164.4	173.1	2.1	0	0	105.3	T44	T44-Q46 PolarHBondContact O-N 3.49Å
47	Q	81	Confident	72.4	Confident	98 Å²	98	78 Å²	78	46%	0.458	41%	0.408	S	S	.	.			trans	-53.5	134.7	-179.1	-71.1	173.7	-4.2	0	0	109	N45 K49 K168	N45-Q47 PolarHBondContact O-N 3.34Å; Q47-K49 PolarHBondContact O-N 3.39Å; Q47-K168 HydrophobicContact CG-CB 4.27Å
48	P	92.1	Very high	74.6	Confident	51 Å²	51	75.9 Å²	75.9	33%	0.331	40%	0.398	S	S	.	.			trans	-56.2	129.4	179.2	23.7	-34.8	0	0	0	110	K168 I169 S170	P48-K168 WeakPolarHBondContact CD-O 3.48Å; P48-I169 HydrophobicContact CG-CB 4.5Å; P48-I169 HydrophobicContact CG-CG1 3.93Å; P48-I169 WeakPolarHBondContact O-CA 3.48Å; P48-S170 PolarHBondContact O-N 3.45Å
49	K	96.1	Very high	77.1	Confident	129 Å²	129	72.2 Å²	72.2	56%	0.561	38%	0.382	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-117.5	131.1	175.7	-173.5	-176.5	174.3	-158.9	0	109.5	Q47 S170 E172	Q47-K49 PolarHBondContact O-N 3.39Å; K49-S170 WeakPolarHBondContact CA-O 3.29Å; K49-E172 WeakPolarHBondContact CE-OE1 3.07Å; K49-E172 IonicContact NZ-OE1 2.81Å; K49-E172 PolarHBondContact NZ-OE1 3.22Å
50	H	98	Very high	79.8	Confident	13 Å²	13	62.8 Å²	62.8	6%	0.06	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	150.8	174.6	-66.6	-68.8	0	0	0	111	N75 A78 Y147 S170 Y171 E172	H50-N75 PolarHBondContact CE1-O 3.47Å; H50-N75 VanDerWaalsContact CE1-O 3.3Å; H50-N75 PolarHBondContact ND1-O 3.02Å; H50-A78 HydrophobicContact CB-CB 4.16Å; H50-A78 VanDerWaalsContact CD2-CB 3.47Å; H50-A78 WeakPolarHBondContact CD2-CB 3.39Å; H50-A78 VanDerWaalsContact CG-CB 3.46Å; H50-Y147 AromaticContact CD2-CE2 3.98Å; H50-Y147 AromaticContact NE2-CE2 3.27Å; H50-Y147 VanDerWaalsContact NE2-CE2 3.27Å; H50-Y147 WeakPolarHBondContact NE2-CE2 3.21Å; H50-Y147 AromaticContact NE2-CZ 3.41Å; H50-Y147 PolarHBondContact NE2-OH 2.85Å; H50-S170 PolarHBondContact N-O 3.22Å; H50-Y171 CarbonylContact O-C 3.58Å; H50-Y171 VanDerWaalsContact O-CA 3.25Å; H50-Y171 WeakPolarHBondContact O-CA 3.48Å; H50-E172 PolarHBondContact O-N 3.16Å
51	K	98	Very high	82.3	Confident	55 Å²	55	57.2 Å²	57.2	24%	0.239	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	-44.8	171.2	-170	163.9	-172.5	166.3	0	110.1	F72 E76 E172 Y173	K51-F72 HydrophobicContact CD-CD1 3.89Å; K51-F72 HydrophobicContact CD-CE1 3.84Å; K51-E76 HydrophobicContact CB-CB 4.19Å; K51-E76 WeakPolarHBondContact CD-OE1 3.44Å; K51-E76 PolarHBondContact N-O 3.41Å; K51-E172 WeakPolarHBondContact O-CB 3.18Å; K51-E172 PolarHBondContact O-N 3.32Å; K51-Y173 PolarHBondContact O-N 2.89Å
52	I	98.7	Very high	84.9	Confident	0 Å²	0	49.6 Å²	49.6	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	122.4	177	-51.2	173	0	0	0	109.2	I54 L68 F72 E76 V77 A78 Y173 I175 L396 I400	I52-I54 HydrophobicContact CG2-CG1 4.27Å; I52-L68 HydrophobicContact CD1-CB 4.33Å; I52-L68 HydrophobicContact CD1-CD1 3.92Å; I52-L68 HydrophobicContact CD1-CD2 4.06Å; I52-L68 HydrophobicContact CD1-CG 4.33Å; I52-L68 HydrophobicContact CG2-CD1 4.05Å; I52-F72 HydrophobicContact CD1-CD2 3.88Å; I52-F72 HydrophobicContact CD1-CE2 3.39Å; I52-F72 HydrophobicContact CD1-CZ 3.92Å; I52-E76 PolarHBondContact N-O 3.03Å; I52-V77 HydrophobicContact CB-CG2 4.35Å; I52-V77 HydrophobicContact CD1-CG2 4.37Å; I52-V77 CarbonylContact O-C 3.55Å; I52-V77 WeakPolarHBondContact O-CA 3.46Å; I52-A78 PolarHBondContact O-N 3.44Å; I52-Y173 CarbonylContact C-O 3.56Å; I52-Y173 WeakPolarHBondContact CA-O 3.45Å; I52-I175 HydrophobicContact CG2-CD1 3.82Å; I52-I175 HydrophobicContact CG2-CG1 4.18Å; I52-L396 HydrophobicContact CD1-CD2 3.93Å; I52-L396 HydrophobicContact CG2-CD2 4.33Å; I52-I400 HydrophobicContact CD1-CD1 3.91Å; I52-I400 HydrophobicContact CG1-CD1 4.4Å
53	L	98.7	Very high	87.8	Confident	0 Å²	0	45.1 Å²	45.1	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	125.4	172.2	-174	63.2	0	0	0	109.9	A78 I80 V161 I169 Y171 Y173 L174 I175	L53-A78 HydrophobicContact CD1-CB 3.63Å; L53-I80 HydrophobicContact CD1-CD1 3.82Å; L53-I80 HydrophobicContact CD1-CG1 4Å; L53-I80 HydrophobicContact CD2-CD1 3.98Å; L53-I80 HydrophobicContact CG-CD1 4.17Å; L53-V161 HydrophobicContact CD2-CB 4.47Å; L53-V161 HydrophobicContact CD2-CG1 4.05Å; L53-V161 HydrophobicContact CD2-CG2 3.56Å; L53-I169 HydrophobicContact CD1-CG2 4.21Å; L53-I169 HydrophobicContact CD2-CB 4.41Å; L53-I169 HydrophobicContact CD2-CG2 3.95Å; L53-Y171 HydrophobicContact CB-CD1 4.33Å; L53-Y171 HydrophobicContact CB-CG 4.24Å; L53-Y171 HydrophobicContact CD2-CD1 3.77Å; L53-Y171 HydrophobicContact CD2-CG 4.48Å; L53-Y173 PolarHBondContact N-O 3.48Å; L53-L174 HydrophobicContact CB-CD1 4.17Å; L53-L174 HydrophobicContact CD2-CD1 4.18Å; L53-L174 HydrophobicContact CG-CD1 4.21Å; L53-L174 CarbonylContact O-C 3.04Å; L53-L174 WeakPolarHBondContact O-CA 3.42Å; L53-I175 PolarHBondContact O-N 3.18Å
54	I	98.7	Very high	90.2	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	126	177.4	-54.4	175	0	0	0	108	I52 M64 A65 L68 V77 A78 V79 I80 I175 A177	I52-I54 HydrophobicContact CG2-CG1 4.27Å; I54-M64 HydrophobicContact CD1-CB 3.94Å; I54-A65 HydrophobicContact CD1-CB 3.78Å; I54-L68 HydrophobicContact CD1-CD1 4.33Å; I54-V77 HydrophobicContact CD1-CG1 3.84Å; I54-V77 HydrophobicContact CG1-CG1 4.41Å; I54-A78 WeakPolarHBondContact CB-O 3.24Å; I54-A78 PolarHBondContact N-O 2.9Å; I54-V79 HydrophobicContact CB-CG2 4.27Å; I54-V79 HydrophobicContact CD1-CG2 4.38Å; I54-V79 CarbonylContact O-C 3.59Å; I54-V79 VanDerWaalsContact O-CA 3.29Å; I54-V79 WeakPolarHBondContact O-CA 3.16Å; I54-I80 PolarHBondContact O-N 2.81Å; I54-I175 CarbonylContact C-O 3.55Å; I54-I175 WeakPolarHBondContact CA-O 3.44Å; I54-I175 HydrophobicContact CD1-CD1 4.46Å; I54-I175 HydrophobicContact CG1-CB 4.14Å; I54-I175 HydrophobicContact CG1-CD1 4.13Å; I54-I175 HydrophobicContact CG2-CB 4.44Å; I54-I175 HydrophobicContact CG2-CG2 4.47Å; I54-A177 HydrophobicContact CG2-CB 4.5Å
55	V	98.2	Very high	92.7	Very high	4 Å²	4	35.8 Å²	35.8	2%	0.024	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	113.6	177	-168.5	0	0	0	0	109.8	I80 I151 L174 I175 L176 A177 L178	V55-I80 HydrophobicContact CG2-CD1 4.45Å; V55-I151 HydrophobicContact CG1-CD1 3.55Å; V55-I151 HydrophobicContact CG1-CG1 3.82Å; V55-I151 HydrophobicContact CG1-CG2 4.05Å; V55-I151 HydrophobicContact CG2-CD1 4.45Å; V55-L174 HydrophobicContact CG2-CD1 3.73Å; V55-I175 PolarHBondContact N-O 3.5Å; V55-L176 HydrophobicContact CB-CD2 4.16Å; V55-L176 HydrophobicContact CG2-CD2 4.18Å; V55-A177 CarbonylContact O-C 3.5Å; V55-A177 VanDerWaalsContact O-C 3.26Å; V55-A177 WeakPolarHBondContact O-CA 3.1Å; V55-A177 PolarHBondContact O-N 2.82Å; V55-L178 HydrophobicContact CB-CD2 4.24Å; V55-L178 HydrophobicContact CG1-CD2 3.49Å; V55-L178 VanDerWaalsContact CG1-CD2 3.49Å; V55-L178 HydrophobicContact CG1-CG 4.39Å
56	G	96.4	Very high	94.8	Very high	6 Å²	6	28.6 Å²	28.6	6%	0.062	15%	0.151	C	C	.	.			trans	107.3	118.9	-174.8	0	0	0	0	0	111.8	G58 G61 I80	G56-G58 VanDerWaalsContact C-N 3.32Å; G56-G61 VanDerWaalsContact O-CA 3.29Å; G56-G61 WeakPolarHBondContact O-CA 3.47Å; G56-I80 WeakPolarHBondContact CA-O 3.27Å; G56-I80 PolarHBondContact N-O 3.33Å
57	G	94.5	Very high	96.4	Very high	3 Å²	3	20.7 Å²	20.7	3%	0.031	11%	0.114	C	C	.	.			trans	-92.2	22.8	173.5	0	0	0	0	0	113.7	C62 E81 H113	G57-C62 PolarHBondContact O-SG 2.78Å; G57-E81 VanDerWaalsContact CA-OE2 3.3Å; G57-E81 WeakPolarHBondContact CA-OE2 3.41Å; G57-E81 PolarHBondContact N-OE2 2.89Å; G57-H113 PolarHBondContact O-ND1 3.19Å
58	G	94.9	Very high	97.2	Very high	28 Å²	28	16 Å²	16	29%	0.289	9%	0.092	S	C	.	.	S	Bend	trans	-70.2	-165.9	169.6	0	0	0	0	0	113	G56 G60 G61 C62	G56-G58 VanDerWaalsContact C-N 3.32Å; G58-G60 VanDerWaalsContact C-N 3.35Å; G58-G60 PolarHBondContact O-N 2.93Å; G58-G61 PolarHBondContact O-N 3.29Å; G58-C62 WeakPolarHBondContact O-CB 3.35Å; G58-C62 PolarHBondContact O-N 3.21Å; G58-C62 PolarHBondContact O-SG 3.45Å
59	A	96.1	Very high	97.5	Very high	22 Å²	22	13.8 Å²	13.8	18%	0.182	8%	0.078	C	C	.	.	H	α-helix	trans	-58.3	-46	-175.8	0	0	0	0	0	112.4	A63 V385 Y463 L468	A59-A63 VanDerWaalsContact O-CB 3.25Å; A59-A63 WeakPolarHBondContact O-CB 3.37Å; A59-A63 PolarHBondContact O-N 3.47Å; A59-A63 VanDerWaalsContact O-N 3.1Å; A59-V385 HydrophobicContact CB-CG1 4.43Å; A59-Y463 HydrophobicContact CB-CE2 4.02Å; A59-Y463 WeakPolarHBondContact CB-OH 3.33Å; A59-L468 HydrophobicContact CB-CD2 4.47Å
60	G	97	Very high	97.5	Very high	7 Å²	7	13.1 Å²	13.1	7%	0.072	8%	0.075	C	C	.	.	H	α-helix	trans	-64.9	-48.7	179.6	0	0	0	0	0	112.5	G58 A63 M64	G58-G60 VanDerWaalsContact C-N 3.35Å; G58-G60 PolarHBondContact O-N 2.93Å; G60-A63 PolarHBondContact O-N 2.95Å; G60-M64 WeakPolarHBondContact O-CB 3.41Å; G60-M64 WeakPolarHBondContact O-CG 3.36Å; G60-M64 PolarHBondContact O-N 2.96Å
61	G	97.6	Very high	97.3	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-69.2	-39.6	-177.5	0	0	0	0	0	113.9	G56 G58 M64 A65	G56-G61 VanDerWaalsContact O-CA 3.29Å; G56-G61 WeakPolarHBondContact O-CA 3.47Å; G58-G61 PolarHBondContact O-N 3.29Å; G61-M64 PolarHBondContact O-N 2.93Å; G61-A65 VanDerWaalsContact O-CB 3.31Å; G61-A65 WeakPolarHBondContact O-CB 3.1Å; G61-A65 PolarHBondContact O-N 3.47Å
62	C	97.4	Very high	97.2	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-61.7	-46.9	173	-76.3	0	0	0	0	112.1	G57 G58 M64 A65 N66 L136 V139 L140 L468	G57-C62 PolarHBondContact O-SG 2.78Å; G58-C62 WeakPolarHBondContact O-CB 3.35Å; G58-C62 PolarHBondContact O-N 3.21Å; G58-C62 PolarHBondContact O-SG 3.45Å; C62-M64 VanDerWaalsContact C-N 3.33Å; C62-M64 PolarHBondContact O-N 3Å; C62-A65 PolarHBondContact O-N 3.24Å; C62-N66 WeakPolarHBondContact O-CB 3.43Å; C62-N66 PolarHBondContact O-N 2.93Å; C62-L136 WeakPolarHBondContact SG-CD1 3.45Å; C62-V139 HydrophobicContact CB-CG1 4.02Å; C62-L140 HydrophobicContact CB-CD2 4.2Å; C62-L468 HydrophobicContact CB-CD2 3.72Å
63	A	98	Very high	97	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-60.2	-44.2	177.7	0	0	0	0	0	111.1	A59 G60 R67 A389 L467	A59-A63 VanDerWaalsContact O-CB 3.25Å; A59-A63 WeakPolarHBondContact O-CB 3.37Å; A59-A63 PolarHBondContact O-N 3.47Å; A59-A63 VanDerWaalsContact O-N 3.1Å; G60-A63 PolarHBondContact O-N 2.95Å; A63-R67 WeakPolarHBondContact O-CB 3.37Å; A63-R67 WeakPolarHBondContact O-CD 3.4Å; A63-R67 WeakPolarHBondContact O-CG 3.39Å; A63-R67 PolarHBondContact O-N 2.87Å; A63-A389 HydrophobicContact CB-CB 4.23Å; A63-L467 HydrophobicContact CB-CD1 3.95Å; A63-L467 HydrophobicContact CB-CG 4.41Å; A63-L467 WeakPolarHBondContact CB-O 3.48Å
64	M	98.3	Very high	96.9	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-65.7	-46	177.4	-73.7	-50.8	-46.5	0	0	112.6	I54 G60 G61 C62 N66 R67 L68 I175 L370 A389 L392 E393	I54-M64 HydrophobicContact CD1-CB 3.94Å; G60-M64 WeakPolarHBondContact O-CB 3.41Å; G60-M64 WeakPolarHBondContact O-CG 3.36Å; G60-M64 PolarHBondContact O-N 2.96Å; G61-M64 PolarHBondContact O-N 2.93Å; C62-M64 VanDerWaalsContact C-N 3.33Å; C62-M64 PolarHBondContact O-N 3Å; M64-N66 VanDerWaalsContact C-N 3.34Å; M64-N66 PolarHBondContact O-N 3.49Å; M64-R67 PolarHBondContact O-N 3.28Å; M64-L68 HydrophobicContact CB-CD1 4.4Å; M64-L68 HydrophobicContact CE-CD1 3.59Å; M64-L68 HydrophobicContact CE-CD2 4.15Å; M64-L68 HydrophobicContact CE-CG 3.78Å; M64-L68 WeakPolarHBondContact O-CB 3.26Å; M64-L68 VanDerWaalsContact O-CG 3.26Å; M64-L68 WeakPolarHBondContact O-CG 3.49Å; M64-L68 PolarHBondContact O-N 2.82Å; M64-I175 HydrophobicContact CB-CD1 4.39Å; M64-I175 HydrophobicContact CE-CD1 4.09Å; M64-I175 HydrophobicContact CG-CG2 4.43Å; M64-L370 HydrophobicContact CG-CD1 3.65Å; M64-L370 HydrophobicContact CG-CD2 3.92Å; M64-L370 HydrophobicContact CG-CG 4.46Å; M64-L370 HydrophobicContact SD-CD1 4.08Å; M64-A389 HydrophobicContact SD-CB 3.81Å; M64-L392 HydrophobicContact CE-CB 4.36Å; M64-L392 HydrophobicContact CE-CD2 3.51Å; M64-L392 HydrophobicContact CE-CG 4.45Å; M64-L392 HydrophobicContact SD-CB 4.07Å; M64-L392 HydrophobicContact SD-CD2 4.07Å; M64-L392 HydrophobicContact SD-CG 4.47Å; M64-E393 HydrophobicContact CE-CB 4.2Å
65	A	98.2	Very high	96.6	Very high	0 Å²	0	33 Å²	33	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-57.5	-48.7	179.3	0	0	0	0	0	111.4	I54 G61 C62 R67 L68 C69 V79 L140	I54-A65 HydrophobicContact CD1-CB 3.78Å; G61-A65 VanDerWaalsContact O-CB 3.31Å; G61-A65 WeakPolarHBondContact O-CB 3.1Å; G61-A65 PolarHBondContact O-N 3.47Å; C62-A65 PolarHBondContact O-N 3.24Å; A65-R67 VanDerWaalsContact C-N 3.35Å; A65-R67 PolarHBondContact O-N 2.94Å; A65-L68 PolarHBondContact O-N 3.29Å; A65-C69 VanDerWaalsContact O-CB 3.3Å; A65-C69 WeakPolarHBondContact O-CB 3.38Å; A65-C69 PolarHBondContact O-N 2.85Å; A65-C69 PolarHBondContact O-SG 2.89Å; A65-V79 HydrophobicContact CB-CG2 3.57Å; A65-L140 HydrophobicContact CB-CD2 3.78Å
66	N	98.1	Very high	96.6	Very high	11 Å²	11	35.6 Å²	35.6	6%	0.059	18%	0.18	C	C	.	.	H	α-helix	trans	-69.7	-29.9	-178.7	-75.6	-19.4	0	0	0	113.4	C62 M64 K70 V139 T141 L468	C62-N66 WeakPolarHBondContact O-CB 3.43Å; C62-N66 PolarHBondContact O-N 2.93Å; M64-N66 VanDerWaalsContact C-N 3.34Å; M64-N66 PolarHBondContact O-N 3.49Å; N66-K70 WeakPolarHBondContact O-CE 3.39Å; N66-V139 PolarHBondContact ND2-O 2.88Å; N66-T141 WeakPolarHBondContact OD1-CB 3.24Å; N66-T141 VanDerWaalsContact OD1-CG2 3.25Å; N66-T141 WeakPolarHBondContact OD1-CG2 3.39Å; N66-T141 PolarHBondContact OD1-N 3.16Å; N66-L468 WeakPolarHBondContact CB-O 3.24Å; N66-L468 PolarHBondContact ND2-O 3.37Å
67	R	97.8	Very high	96.7	Very high	8 Å²	8	35.3 Å²	35.3	3%	0.03	18%	0.177	C	C	.	.	H	α-helix	trans	-68	-54.1	170.8	-77.2	170.7	178.5	-75.7	-1.7	111.3	A63 M64 A65 C69 K70 H71 E393 W472 S473	A63-R67 WeakPolarHBondContact O-CB 3.37Å; A63-R67 WeakPolarHBondContact O-CD 3.4Å; A63-R67 WeakPolarHBondContact O-CG 3.39Å; A63-R67 PolarHBondContact O-N 2.87Å; M64-R67 PolarHBondContact O-N 3.28Å; A65-R67 VanDerWaalsContact C-N 3.35Å; A65-R67 PolarHBondContact O-N 2.94Å; R67-C69 PolarHBondContact O-N 2.94Å; R67-K70 WeakPolarHBondContact O-CB 3.45Å; R67-K70 WeakPolarHBondContact O-CG 3.45Å; R67-K70 PolarHBondContact O-N 3.32Å; R67-H71 PolarHBondContact O-CD2 3.46Å; R67-E393 HydrophobicContact CB-CG 4.23Å; R67-E393 WeakPolarHBondContact CD-OE2 3.4Å; R67-E393 WeakPolarHBondContact CG-OE2 3.25Å; R67-E393 IonicContact CZ-OE2 2.66Å; R67-E393 IonicContact NE-OE2 3.86Å; R67-E393 IonicContact NH1-OE2 3.31Å; R67-E393 PolarHBondContact NH1-OE2 2.96Å; R67-W472 PolarHBondContact NH2-O 3.12Å; R67-S473 PolarHBondContact NH1-OG 3.14Å; R67-S473 PolarHBondContact NH2-OG 2.82Å
68	L	98.2	Very high	96.9	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-68.2	-38.2	-172.7	-66.5	167.4	0	0	0	112.3	I52 I54 M64 A65 K70 H71 F72 V77 I175 L396	I52-L68 HydrophobicContact CD1-CB 4.33Å; I52-L68 HydrophobicContact CD1-CD1 3.92Å; I52-L68 HydrophobicContact CD1-CD2 4.06Å; I52-L68 HydrophobicContact CD1-CG 4.33Å; I52-L68 HydrophobicContact CG2-CD1 4.05Å; I54-L68 HydrophobicContact CD1-CD1 4.33Å; M64-L68 HydrophobicContact CB-CD1 4.4Å; M64-L68 HydrophobicContact CE-CD1 3.59Å; M64-L68 HydrophobicContact CE-CD2 4.15Å; M64-L68 HydrophobicContact CE-CG 3.78Å; M64-L68 WeakPolarHBondContact O-CB 3.26Å; M64-L68 VanDerWaalsContact O-CG 3.26Å; M64-L68 WeakPolarHBondContact O-CG 3.49Å; M64-L68 PolarHBondContact O-N 2.82Å; A65-L68 PolarHBondContact O-N 3.29Å; L68-K70 PolarHBondContact O-N 3.49Å; L68-H71 PolarHBondContact O-N 3.2Å; L68-F72 HydrophobicContact CB-CD2 4.21Å; L68-F72 HydrophobicContact CB-CE2 4.32Å; L68-F72 HydrophobicContact CD2-CE2 4.18Å; L68-F72 WeakPolarHBondContact O-CD2 3.46Å; L68-F72 PolarHBondContact O-N 3.28Å; L68-V77 HydrophobicContact CB-CG2 4.01Å; L68-I175 HydrophobicContact CD1-CD1 3.54Å; L68-L396 HydrophobicContact CD1-CD2 4.1Å; L68-L396 HydrophobicContact CD2-CD2 4.11Å
69	C	97.7	Very high	97	Very high	3 Å²	3	33.8 Å²	33.8	2%	0.02	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-9	176.8	-72	0	0	0	0	114.8	A65 R67 H71 T141 K143	A65-C69 VanDerWaalsContact O-CB 3.3Å; A65-C69 WeakPolarHBondContact O-CB 3.38Å; A65-C69 PolarHBondContact O-N 2.85Å; A65-C69 PolarHBondContact O-SG 2.89Å; R67-C69 PolarHBondContact O-N 2.94Å; C69-H71 VanDerWaalsContact C-N 3.3Å; C69-T141 HydrophobicContact CB-CG2 3.49Å; C69-T141 VanDerWaalsContact CB-CG2 3.49Å; C69-T141 VanDerWaalsContact SG-CG2 3.55Å; C69-K143 HydrophobicContact CB-CB 3.99Å; C69-K143 HydrophobicContact CB-CD 4.46Å; C69-K143 WeakPolarHBondContact O-CD 3.28Å
70	K	96.1	Very high	97.1	Very high	116 Å²	116	32.8 Å²	32.8	50%	0.504	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.8	-26.1	170	-62.2	172.4	-175.5	177.6	0	111.9	N66 R67 L68 G470	N66-K70 WeakPolarHBondContact O-CE 3.39Å; R67-K70 WeakPolarHBondContact O-CB 3.45Å; R67-K70 WeakPolarHBondContact O-CG 3.45Å; R67-K70 PolarHBondContact O-N 3.32Å; L68-K70 PolarHBondContact O-N 3.49Å; K70-G470 PolarHBondContact NZ-O 3.43Å
71	H	95.6	Very high	97	Very high	100 Å²	100	33.3 Å²	33.3	46%	0.463	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.9	-10	-174.7	-52.6	-72.4	0	0	0	113.6	R67 L68 C69 E393	R67-H71 PolarHBondContact O-CD2 3.46Å; L68-H71 PolarHBondContact O-N 3.2Å; C69-H71 VanDerWaalsContact C-N 3.3Å; H71-E393 IonicContact CD2-OE1 3.91Å; H71-E393 IonicContact CE1-OE1 3.1Å; H71-E393 IonicContact NE2-OE1 2.63Å; H71-E393 PolarHBondContact NE2-OE1 3.13Å
72	F	95.4	Very high	96.7	Very high	20 Å²	20	36.7 Å²	36.7	9%	0.088	18%	0.175	C	C	.	.	S	Bend	trans	-128.9	159.3	-171.6	-61.4	-66.3	0	0	0	112.4	K51 I52 L68 E76 V77 I400	K51-F72 HydrophobicContact CD-CD1 3.89Å; K51-F72 HydrophobicContact CD-CE1 3.84Å; I52-F72 HydrophobicContact CD1-CD2 3.88Å; I52-F72 HydrophobicContact CD1-CE2 3.39Å; I52-F72 HydrophobicContact CD1-CZ 3.92Å; L68-F72 HydrophobicContact CB-CD2 4.21Å; L68-F72 HydrophobicContact CB-CE2 4.32Å; L68-F72 HydrophobicContact CD2-CE2 4.18Å; L68-F72 WeakPolarHBondContact O-CD2 3.46Å; L68-F72 PolarHBondContact O-N 3.28Å; F72-E76 HydrophobicContact CB-CB 4.01Å; F72-E76 WeakPolarHBondContact CB-OE2 3.38Å; F72-V77 HydrophobicContact CB-CG2 4.13Å; F72-V77 HydrophobicContact CD2-CG2 3.87Å; F72-V77 HydrophobicContact CG-CG2 4.31Å; F72-I400 HydrophobicContact CE1-CD1 4.23Å; F72-I400 HydrophobicContact CE1-CG2 4.21Å; F72-I400 HydrophobicContact CE2-CD1 4.28Å; F72-I400 HydrophobicContact CZ-CD1 3.51Å; F72-I400 HydrophobicContact CZ-CG2 4.28Å
73	E	94.9	Very high	95.8	Very high	151 Å²	151	39.8 Å²	39.8	71%	0.706	20%	0.197	S	C	*	.			trans	-74	171	177	-62.7	-167.5	160.8	0	0	111.9	N75 E76	E73-N75 PolarHBondContact O-N 2.86Å; E73-E76 HydrophobicContact CB-CG 4.17Å; E73-E76 PolarHBondContact N-OE2 2.69Å; E73-E76 PolarHBondContact O-N 2.93Å
74	K	95.2	Very high	94.8	Very high	144 Å²	144	41.9 Å²	41.9	63%	0.626	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.6	134.9	-179.2	-174.9	174.1	-176.5	-179.2	0	110.3	E76	K74-E76 PolarHBondContact O-N 3.41Å
75	N	94	Very high	92.9	Very high	70 Å²	70	44 Å²	44	37%	0.374	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	66.1	1.6	-179.5	-53.4	-32.8	0	0	0	116.1	H50 E73 V77 K143 K145	H50-N75 PolarHBondContact CE1-O 3.47Å; H50-N75 VanDerWaalsContact CE1-O 3.3Å; H50-N75 PolarHBondContact ND1-O 3.02Å; E73-N75 PolarHBondContact O-N 2.86Å; N75-V77 VanDerWaalsContact C-N 3.27Å; N75-V77 PolarHBondContact O-N 2.92Å; N75-K143 PolarHBondContact N-O 3.37Å; N75-K145 HydrophobicContact CB-CB 4.15Å
76	E	97.3	Very high	91	Very high	58 Å²	58	48.1 Å²	48.1	27%	0.271	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-32.1	171.5	-74.3	-162.5	101	0	0	112.1	K51 I52 F72 E73 K74	K51-E76 HydrophobicContact CB-CB 4.19Å; K51-E76 WeakPolarHBondContact CD-OE1 3.44Å; K51-E76 PolarHBondContact N-O 3.41Å; I52-E76 PolarHBondContact N-O 3.03Å; F72-E76 HydrophobicContact CB-CB 4.01Å; F72-E76 WeakPolarHBondContact CB-OE2 3.38Å; E73-E76 HydrophobicContact CB-CG 4.17Å; E73-E76 PolarHBondContact N-OE2 2.69Å; E73-E76 PolarHBondContact O-N 2.93Å; K74-E76 PolarHBondContact O-N 3.41Å
77	V	98.5	Very high	88.8	Confident	0 Å²	0	52.6 Å²	52.6	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	125.8	170.9	-174.9	0	0	0	0	108.9	I52 I54 L68 F72 N75 A144 K145	I52-V77 HydrophobicContact CB-CG2 4.35Å; I52-V77 HydrophobicContact CD1-CG2 4.37Å; I52-V77 CarbonylContact O-C 3.55Å; I52-V77 WeakPolarHBondContact O-CA 3.46Å; I54-V77 HydrophobicContact CD1-CG1 3.84Å; I54-V77 HydrophobicContact CG1-CG1 4.41Å; L68-V77 HydrophobicContact CB-CG2 4.01Å; F72-V77 HydrophobicContact CB-CG2 4.13Å; F72-V77 HydrophobicContact CD2-CG2 3.87Å; F72-V77 HydrophobicContact CG-CG2 4.31Å; N75-V77 VanDerWaalsContact C-N 3.27Å; N75-V77 PolarHBondContact O-N 2.92Å; V77-A144 WeakPolarHBondContact O-CA 3.45Å; V77-K145 PolarHBondContact O-N 3.46Å
78	A	98.2	Very high	86.3	Confident	0 Å²	0	56.2 Å²	56.2	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	149.9	175.6	0	0	0	0	0	111.9	H50 I52 L53 I54 K145 Y147	H50-A78 HydrophobicContact CB-CB 4.16Å; H50-A78 VanDerWaalsContact CD2-CB 3.47Å; H50-A78 WeakPolarHBondContact CD2-CB 3.39Å; H50-A78 VanDerWaalsContact CG-CB 3.46Å; I52-A78 PolarHBondContact O-N 3.44Å; L53-A78 HydrophobicContact CD1-CB 3.63Å; I54-A78 WeakPolarHBondContact CB-O 3.24Å; I54-A78 PolarHBondContact N-O 2.9Å; A78-K145 CarbonylContact C-O 3.55Å; A78-K145 VanDerWaalsContact CA-O 3.23Å; A78-K145 WeakPolarHBondContact CA-O 3.09Å; A78-K145 HydrophobicContact CB-CB 4.13Å; A78-Y147 HydrophobicContact CB-CD2 4.16Å; A78-Y147 HydrophobicContact CB-CE2 3.79Å
79	V	97.9	Very high	84	Confident	0 Å²	0	60.6 Å²	60.6	0%	0	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	132	175.1	-175.5	0	0	0	0	108.7	I54 A65 L140 K145 L146 Y147	I54-V79 HydrophobicContact CB-CG2 4.27Å; I54-V79 HydrophobicContact CD1-CG2 4.38Å; I54-V79 CarbonylContact O-C 3.59Å; I54-V79 VanDerWaalsContact O-CA 3.29Å; I54-V79 WeakPolarHBondContact O-CA 3.16Å; A65-V79 HydrophobicContact CB-CG2 3.57Å; V79-L140 HydrophobicContact CB-CD1 4.31Å; V79-L140 HydrophobicContact CG1-CD1 4.39Å; V79-L140 HydrophobicContact CG2-CD1 4.31Å; V79-L140 HydrophobicContact CG2-CD2 4.34Å; V79-K145 PolarHBondContact N-O 3.21Å; V79-L146 HydrophobicContact CB-CD1 4.31Å; V79-L146 HydrophobicContact CG1-CD1 4.4Å; V79-Y147 PolarHBondContact O-N 3.05Å
80	I	97.1	Very high	81.8	Confident	1 Å²	1	65.2 Å²	65.2	1%	0.005	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	122.5	170.3	-58.9	166.5	0	0	0	108.4	L53 I54 V55 G56 Y147 D149 I151 V161 L163 I169	L53-I80 HydrophobicContact CD1-CD1 3.82Å; L53-I80 HydrophobicContact CD1-CG1 4Å; L53-I80 HydrophobicContact CD2-CD1 3.98Å; L53-I80 HydrophobicContact CG-CD1 4.17Å; I54-I80 PolarHBondContact O-N 2.81Å; V55-I80 HydrophobicContact CG2-CD1 4.45Å; G56-I80 WeakPolarHBondContact CA-O 3.27Å; G56-I80 PolarHBondContact N-O 3.33Å; I80-Y147 WeakPolarHBondContact CA-O 3.14Å; I80-Y147 HydrophobicContact CG1-CD2 4.21Å; I80-Y147 HydrophobicContact CG1-CG 4.35Å; I80-D149 WeakPolarHBondContact CG2-O 3.45Å; I80-I151 HydrophobicContact CB-CG2 4.49Å; I80-I151 HydrophobicContact CD1-CG2 3.63Å; I80-I151 HydrophobicContact CG2-CG2 3.98Å; I80-V161 HydrophobicContact CD1-CG2 3.77Å; I80-L163 HydrophobicContact CD1-CD2 3.85Å; I80-L163 HydrophobicContact CG1-CD2 4.3Å; I80-L163 HydrophobicContact CG2-CD2 4.07Å; I80-I169 HydrophobicContact CD1-CD1 4.09Å; I80-I169 HydrophobicContact CG1-CD1 4.49Å
81	E	95.3	Very high	79.5	Confident	18 Å²	18	66.8 Å²	66.8	8%	0.084	35%	0.351	C	S	.	.			trans	-143.6	118.5	177.1	177.9	51.5	-120.7	0	0	111.6	G57 S83 L136 L146 Y147 D149	G57-E81 VanDerWaalsContact CA-OE2 3.3Å; G57-E81 WeakPolarHBondContact CA-OE2 3.41Å; G57-E81 PolarHBondContact N-OE2 2.89Å; E81-S83 WeakPolarHBondContact OE1-CA 3.16Å; E81-S83 WeakPolarHBondContact OE1-CB 3.3Å; E81-S83 PolarHBondContact OE1-N 3.1Å; E81-S83 PolarHBondContact OE1-OG 2.86Å; E81-L136 HydrophobicContact CB-CD2 3.67Å; E81-L136 HydrophobicContact CG-CD2 3.6Å; E81-L146 HydrophobicContact CB-CD1 4.34Å; E81-Y147 PolarHBondContact N-O 3.12Å; E81-D149 CarbonylContact C-O 3.57Å
82	P	90.9	Very high	77.3	Confident	70 Å²	70	65.6 Å²	65.6	46%	0.455	35%	0.354	S	S	.	.			trans	-84	-23.4	179.6	31.3	-36.2	0	0	0	115.1	A84 K150	P82-A84 PolarHBondContact O-N 3.37Å; P82-A84 VanDerWaalsContact O-N 3.13Å; P82-K150 HydrophobicContact CB-CB 3.74Å; P82-K150 HydrophobicContact CG-CB 4.11Å
83	S	79.7	Confident	74.9	Confident	66 Å²	66	67.8 Å²	67.8	46%	0.462	37%	0.371	S	S	.	.			trans	-64.5	115.9	-170.8	-54.7	0	0	0	0	110.6	E81 Q111 T112	E81-S83 WeakPolarHBondContact OE1-CA 3.16Å; E81-S83 WeakPolarHBondContact OE1-CB 3.3Å; E81-S83 PolarHBondContact OE1-N 3.1Å; E81-S83 PolarHBondContact OE1-OG 2.86Å; S83-Q111 WeakPolarHBondContact O-CA 3.41Å; S83-Q111 WeakPolarHBondContact O-CB 3.24Å; S83-Q111 WeakPolarHBondContact O-CG 3.41Å; S83-T112 PolarHBondContact O-N 2.89Å
84	A	75.5	Confident	72.6	Confident	44 Å²	44	65.9 Å²	65.9	36%	0.364	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	150.6	176.9	0	0	0	0	0	111.7	P82 I109 I110 Q111	P82-A84 PolarHBondContact O-N 3.37Å; P82-A84 VanDerWaalsContact O-N 3.13Å; A84-I109 HydrophobicContact CB-CG2 3.37Å; A84-I110 WeakPolarHBondContact CA-O 3.28Å; A84-Q111 HydrophobicContact CB-CG 4.42Å
85	V	59.7	Low	70.4	Confident	43 Å²	43	63.6 Å²	63.6	26%	0.261	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	132.5	172.6	177.2	0	0	0	0	107.7	F87 I110 T112	V85-F87 HydrophobicContact CB-CE2 4.08Å; V85-F87 HydrophobicContact CG1-CD2 4.19Å; V85-F87 HydrophobicContact CG1-CE2 3.76Å; V85-F87 HydrophobicContact CG1-CZ 4.17Å; V85-I110 PolarHBondContact N-O 2.96Å; V85-I110 PolarHBondContact O-N 3.36Å; V85-T112 HydrophobicContact CB-CG2 3.99Å; V85-T112 HydrophobicContact CG2-CG2 3.77Å; V85-T112 WeakPolarHBondContact CG2-OG1 3.39Å
86	T	56.9	Low	67.9	Low	87 Å²	87	63.8 Å²	63.8	53%	0.534	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	119.1	175.4	-55.5	0	0	0	0	109.2	V107	T86-V107 HydrophobicContact CG2-CG1 3.43Å; T86-V107 VanDerWaalsContact CG2-CG1 3.43Å
87	F	53.2	Low	65.5	Low	105 Å²	105	72.1 Å²	72.1	46%	0.461	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	134.5	169.6	-74.4	-89.3	0	0	0	109.5	V85 V107 F108 I110	V85-F87 HydrophobicContact CB-CE2 4.08Å; V85-F87 HydrophobicContact CG1-CD2 4.19Å; V85-F87 HydrophobicContact CG1-CE2 3.76Å; V85-F87 HydrophobicContact CG1-CZ 4.17Å; F87-V107 WeakPolarHBondContact O-CA 3.42Å; F87-F108 HydrophobicContact CB-CB 4.48Å; F87-F108 PolarHBondContact N-O 3.27Å; F87-F108 PolarHBondContact O-N 3.05Å; F87-I110 HydrophobicContact CD2-CB 4.48Å; F87-I110 HydrophobicContact CD2-CD1 4.06Å; F87-I110 HydrophobicContact CD2-CG1 4.48Å; F87-I110 HydrophobicContact CE2-CD1 4.49Å
88	T	44.6	Very low	63	Low	84 Å²	84	79.7 Å²	79.7	52%	0.515	47%	0.466	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	118.3	175.8	-33.9	0	0	0	0	108.3	V107	T88-V107 HydrophobicContact CG2-CG2 4.19Å
89	I	50.1	Low	60.5	Low	92 Å²	92	90.8 Å²	90.8	47%	0.472	51%	0.509	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	113.7	172.9	-56.7	179.3	0	0	0	106.9	Y91 I106 F108	I89-Y91 PolarHBondContact O-N 2.97Å; I89-I106 PolarHBondContact N-O 2.94Å; I89-I106 PolarHBondContact O-N 3.39Å; I89-F108 HydrophobicContact CD1-CD2 4.27Å; I89-F108 HydrophobicContact CD1-CE2 4.09Å
90	P	52.2	Low	58	Low	101 Å²	101	96.9 Å²	96.9	66%	0.656	54%	0.54	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-67.3	120.1	171.8	26.5	-30.3	0	0	0	108.6
91	Y	48	Very low	55.6	Low	148 Å²	148	101.8 Å²	101.8	58%	0.58	57%	0.565	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-107.1	126	171.5	-142.3	-92.6	0	0	0	108.1	I89 F104	I89-Y91 PolarHBondContact O-N 2.97Å; Y91-F104 WeakPolarHBondContact CA-O 3.47Å; Y91-F104 WeakPolarHBondContact CB-O 3.41Å; Y91-F104 PolarHBondContact N-O 3.36Å; Y91-F104 PolarHBondContact O-N 3.43Å; Y91-F104 VanDerWaalsContact O-O 3.05Å
92	S	47.9	Very low	53.4	Low	76 Å²	76	105 Å²	105	53%	0.531	58%	0.582	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-110.5	119.8	173	62	0	0	0	0	108.3
93	C	45.9	Very low	51.5	Low	65 Å²	65	108.5 Å²	108.5	44%	0.439	59%	0.59	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-103	114.8	173.2	-164.8	0	0	0	0	107.7
94	S	46.2	Very low	50.1	Low	111 Å²	111	111.4 Å²	111.4	78%	0.776	60%	0.595	S	S	*	*			trans	-96.6	90.4	175.6	18.4	0	0	0	0	108.7	G96	S94-G96 PolarHBondContact O-N 3.18Å
95	S	48.2	Very low	48.9	Very low	97 Å²	97	112.8 Å²	112.8	68%	0.678	60%	0.602	S	S	*	*			trans	-84.3	110.1	169.1	-68.4	0	0	0	0	108.9	Y97	S95-Y97 PolarHBondContact O-N 3.05Å
96	G	43.3	Very low	48.6	Very low	73 Å²	73	114.6 Å²	114.6	75%	0.753	61%	0.61	S	S	*	*	S	Bend	trans	-72.7	88.5	179.4	0	0	0	0	0	111.6	S94	S94-G96 PolarHBondContact O-N 3.18Å
97	Y	46.6	Very low	48.3	Very low	233 Å²	233	114.4 Å²	114.4	91%	0.914	61%	0.608	S	S	*	*	S	Bend	trans	-171.7	106.2	145.8	-105.3	-80.1	0	0	0	105.9	S95	S95-Y97 PolarHBondContact O-N 3.05Å
98	L	45.2	Very low	48.5	Very low	160 Å²	160	114.1 Å²	114.1	84%	0.838	61%	0.607	S	S	*	*	S	Bend	trans	66.1	113.2	-176.4	-145.4	69.6	0	0	0	114.8	I100	L98-I100 PolarHBondContact O-N 2.94Å
99	Y	46.2	Very low	49.4	Very low	232 Å²	232	115.1 Å²	115.1	91%	0.91	61%	0.608	S	S	*	*			trans	-52.2	89.8	-172.6	-72	-94.3	0	0	0	114.8
100	I	45.1	Very low	50.4	Low	129 Å²	129	113.6 Å²	113.6	66%	0.662	60%	0.6	S	S	*	*			trans	-121.7	95.3	158.7	-55.6	179.8	0	0	0	107	L98 I102	L98-I100 PolarHBondContact O-N 2.94Å; I100-I102 HydrophobicContact CG2-CD1 4.22Å; I100-I102 HydrophobicContact CG2-CG1 3.63Å; I100-I102 PolarHBondContact O-N 3.36Å; I100-I102 VanDerWaalsContact O-N 3.16Å
101	I	47.1	Very low	51.8	Low	103 Å²	103	109.2 Å²	109.2	53%	0.528	57%	0.571	S	S	.	*			trans	-75.6	100.1	169.7	-58.9	175.2	0	0	0	106.8	F103	I101-F103 HydrophobicContact CB-CE2 4.46Å; I101-F103 HydrophobicContact CG2-CD2 4Å; I101-F103 HydrophobicContact CG2-CE1 4.4Å; I101-F103 HydrophobicContact CG2-CE2 3.61Å; I101-F103 HydrophobicContact CG2-CZ 3.84Å
102	I	49.8	Very low	53.8	Low	86 Å²	86	102.9 Å²	102.9	44%	0.441	55%	0.548	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	110.8	171	-51.7	179.8	0	0	0	107.5	I100 F104	I100-I102 HydrophobicContact CG2-CD1 4.22Å; I100-I102 HydrophobicContact CG2-CG1 3.63Å; I100-I102 PolarHBondContact O-N 3.36Å; I100-I102 VanDerWaalsContact O-N 3.16Å; I102-F104 HydrophobicContact CB-CD2 4.25Å; I102-F104 HydrophobicContact CB-CE2 3.78Å; I102-F104 HydrophobicContact CB-CZ 4.38Å; I102-F104 HydrophobicContact CG2-CD2 3.78Å; I102-F104 HydrophobicContact CG2-CE1 4.13Å; I102-F104 HydrophobicContact CG2-CE2 3.3Å; I102-F104 HydrophobicContact CG2-CG 4.38Å; I102-F104 HydrophobicContact CG2-CZ 3.51Å; I102-F104 PolarHBondContact O-N 3.34Å
103	F	49.4	Very low	56	Low	143 Å²	143	99.5 Å²	99.5	63%	0.627	52%	0.524	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.8	111.6	169.4	-71.6	-85.1	0	0	0	108.7	I101	I101-F103 HydrophobicContact CB-CE2 4.46Å; I101-F103 HydrophobicContact CG2-CD2 4Å; I101-F103 HydrophobicContact CG2-CE1 4.4Å; I101-F103 HydrophobicContact CG2-CE2 3.61Å; I101-F103 HydrophobicContact CG2-CZ 3.84Å
104	F	51.9	Low	58.3	Low	127 Å²	127	99 Å²	99	56%	0.557	51%	0.513	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99.9	118.1	167.2	-72	-78.5	0	0	0	108.2	Y91 I102	Y91-F104 WeakPolarHBondContact CA-O 3.47Å; Y91-F104 WeakPolarHBondContact CB-O 3.41Å; Y91-F104 PolarHBondContact N-O 3.36Å; Y91-F104 PolarHBondContact O-N 3.43Å; Y91-F104 VanDerWaalsContact O-O 3.05Å; I102-F104 HydrophobicContact CB-CD2 4.25Å; I102-F104 HydrophobicContact CB-CE2 3.78Å; I102-F104 HydrophobicContact CB-CZ 4.38Å; I102-F104 HydrophobicContact CG2-CD2 3.78Å; I102-F104 HydrophobicContact CG2-CE1 4.13Å; I102-F104 HydrophobicContact CG2-CE2 3.3Å; I102-F104 HydrophobicContact CG2-CG 4.38Å; I102-F104 HydrophobicContact CG2-CZ 3.51Å; I102-F104 PolarHBondContact O-N 3.34Å
105	S	48.5	Very low	60.7	Low	74 Å²	74	94.1 Å²	94.1	52%	0.517	48%	0.477	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	118.6	172.2	-66.9	0	0	0	0	108.7
106	I	54.6	Low	62.9	Low	81 Å²	81	93.3 Å²	93.3	42%	0.415	46%	0.463	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	121.5	169	-54.8	176.9	0	0	0	107.4	I89 F108	I89-I106 PolarHBondContact N-O 2.94Å; I89-I106 PolarHBondContact O-N 3.39Å; I106-F108 HydrophobicContact CB-CE2 3.96Å; I106-F108 HydrophobicContact CB-CZ 4.45Å; I106-F108 HydrophobicContact CG2-CD2 3.92Å; I106-F108 HydrophobicContact CG2-CE1 4.14Å; I106-F108 HydrophobicContact CG2-CE2 3.29Å; I106-F108 HydrophobicContact CG2-CZ 3.42Å; I106-F108 VanDerWaalsContact CG2-CZ 3.42Å
107	V	49.4	Very low	65.4	Low	83 Å²	83	92.1 Å²	92.1	50%	0.503	44%	0.442	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	117.7	178.6	-178.3	0	0	0	0	108.7	T86 F87 T88	T86-V107 HydrophobicContact CG2-CG1 3.43Å; T86-V107 VanDerWaalsContact CG2-CG1 3.43Å; F87-V107 WeakPolarHBondContact O-CA 3.42Å; T88-V107 HydrophobicContact CG2-CG2 4.19Å
108	F	59.2	Low	67.8	Low	99 Å²	99	81 Å²	81	43%	0.434	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	124.7	173.4	-66.8	-81.2	0	0	0	109.8	F87 I89 I106 I110	F87-F108 HydrophobicContact CB-CB 4.48Å; F87-F108 PolarHBondContact N-O 3.27Å; F87-F108 PolarHBondContact O-N 3.05Å; I89-F108 HydrophobicContact CD1-CD2 4.27Å; I89-F108 HydrophobicContact CD1-CE2 4.09Å; I106-F108 HydrophobicContact CB-CE2 3.96Å; I106-F108 HydrophobicContact CB-CZ 4.45Å; I106-F108 HydrophobicContact CG2-CD2 3.92Å; I106-F108 HydrophobicContact CG2-CE1 4.14Å; I106-F108 HydrophobicContact CG2-CE2 3.29Å; I106-F108 HydrophobicContact CG2-CZ 3.42Å; I106-F108 VanDerWaalsContact CG2-CZ 3.42Å; F108-I110 HydrophobicContact CB-CD1 4.44Å; F108-I110 HydrophobicContact CB-CG1 4.37Å
109	I	63	Low	70.4	Confident	105 Å²	105	74 Å²	74	54%	0.538	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	112.5	171.6	-61.8	175.4	0	0	0	107.3	A84	A84-I109 HydrophobicContact CB-CG2 3.37Å
110	I	71.3	Confident	72.8	Confident	59 Å²	59	63.4 Å²	63.4	30%	0.303	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	125.4	-177.4	-59.9	173.8	0	0	0	109	A84 V85 F87 F108 T112 P135	A84-I110 WeakPolarHBondContact CA-O 3.28Å; V85-I110 PolarHBondContact N-O 2.96Å; V85-I110 PolarHBondContact O-N 3.36Å; F87-I110 HydrophobicContact CD2-CB 4.48Å; F87-I110 HydrophobicContact CD2-CD1 4.06Å; F87-I110 HydrophobicContact CD2-CG1 4.48Å; F87-I110 HydrophobicContact CE2-CD1 4.49Å; F108-I110 HydrophobicContact CB-CD1 4.44Å; F108-I110 HydrophobicContact CB-CG1 4.37Å; I110-T112 PolarHBondContact O-N 3.49Å; I110-P135 HydrophobicContact CG2-CB 4.05Å
111	Q	81	Confident	75.3	Confident	9 Å²	9	57.2 Å²	57.2	4%	0.042	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	129.5	171.7	-73.3	65.6	25.1	0	0	109.1	S83 A84 L136 K148	S83-Q111 WeakPolarHBondContact O-CA 3.41Å; S83-Q111 WeakPolarHBondContact O-CB 3.24Å; S83-Q111 WeakPolarHBondContact O-CG 3.41Å; A84-Q111 HydrophobicContact CB-CG 4.42Å; Q111-L136 HydrophobicContact CB-CB 3.8Å; Q111-L136 HydrophobicContact CB-CD2 3.9Å; Q111-L136 WeakPolarHBondContact O-CB 3.46Å; Q111-L136 PolarHBondContact O-N 2.86Å; Q111-K148 VanDerWaalsContact CD-CD 3.46Å; Q111-K148 HydrophobicContact CG-CG 4.12Å; Q111-K148 VanDerWaalsContact NE2-CG 3.33Å
112	T	89.4	Confident	77.8	Confident	15 Å²	15	52.6 Å²	52.6	9%	0.092	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	137.4	-175.1	54.6	0	0	0	0	111	S83 V85 I110 Y114 V133	S83-T112 PolarHBondContact O-N 2.89Å; V85-T112 HydrophobicContact CB-CG2 3.99Å; V85-T112 HydrophobicContact CG2-CG2 3.77Å; V85-T112 WeakPolarHBondContact CG2-OG1 3.39Å; I110-T112 PolarHBondContact O-N 3.49Å; T112-Y114 WeakPolarHBondContact OG1-CE2 3.26Å; T112-V133 HydrophobicContact CG2-CG2 4.1Å
113	H	94.2	Very high	80.1	Confident	6 Å²	6	48.5 Å²	48.5	3%	0.028	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	131.8	170.1	-177.5	89.4	0	0	0	110	G57 V133 Q134 L136 V139 Y463 W464	G57-H113 PolarHBondContact O-ND1 3.19Å; H113-V133 WeakPolarHBondContact O-CA 3.23Å; H113-Q134 PolarHBondContact N-O 2.8Å; H113-Q134 PolarHBondContact O-N 2.99Å; H113-L136 HydrophobicContact CB-CD1 4.11Å; H113-V139 HydrophobicContact CB-CG2 4.08Å; H113-Y463 PolarHBondContact CE1-OH 3.48Å; H113-Y463 AromaticContact NE2-CE1 3.6Å; H113-Y463 AromaticContact NE2-CZ 3.54Å; H113-Y463 PolarHBondContact NE2-OH 2.93Å; H113-W464 AromaticContact CD2-CH2 3.65Å; H113-W464 AromaticContact CD2-CZ3 3.5Å; H113-W464 VanDerWaalsContact CD2-CZ3 3.5Å; H113-W464 WeakPolarHBondContact CD2-CZ3 3.21Å
114	Y	94.9	Very high	82.4	Confident	54 Å²	54	41.8 Å²	41.8	21%	0.212	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	128.1	175.8	-71.5	-83.3	0	0	0	112.7	T112 Q116 W119 S132 V133 T206	T112-Y114 WeakPolarHBondContact OG1-CE2 3.26Å; Y114-Q116 PolarHBondContact O-N 3.39Å; Y114-W119 AromaticContact CD1-CZ2 3.78Å; Y114-W119 HydrophobicContact CD1-CZ2 3.78Å; Y114-W119 HydrophobicContact CD2-CZ2 4.49Å; Y114-W119 AromaticContact CG-CZ2 3.75Å; Y114-W119 HydrophobicContact CG-CZ2 3.75Å; Y114-S132 CarbonylContact C-O 3.39Å; Y114-S132 WeakPolarHBondContact CA-O 3.35Å; Y114-V133 HydrophobicContact CD1-CB 3.7Å; Y114-V133 HydrophobicContact CD1-CG2 3.9Å; Y114-V133 HydrophobicContact CE1-CB 3.51Å; Y114-V133 HydrophobicContact CE1-CG1 4.41Å; Y114-V133 HydrophobicContact CE1-CG2 3.51Å; Y114-V133 HydrophobicContact CE2-CG2 4.32Å; Y114-V133 HydrophobicContact CG-CG2 4.46Å; Y114-T206 HydrophobicContact CD1-CG2 4.05Å; Y114-T206 HydrophobicContact CE1-CG2 3.53Å; Y114-T206 HydrophobicContact CE2-CG2 4.15Å
115	Y	96.3	Very high	84.6	Confident	9 Å²	9	37.4 Å²	37.4	4%	0.035	21%	0.206	C	C	.	.			trans	-76.9	73.2	163	-179.1	-138.2	0	0	0	110.3	P117 L118 S132 P460 Y463 W464	Y115-P117 VanDerWaalsContact C-N 3.3Å; Y115-P117 HydrophobicContact CD2-CB 4.18Å; Y115-P117 VanDerWaalsContact CD2-CD 3.49Å; Y115-P117 HydrophobicContact CD2-CG 3.91Å; Y115-P117 HydrophobicContact CE2-CB 3.55Å; Y115-P117 HydrophobicContact CE2-CG 3.54Å; Y115-L118 HydrophobicContact CD1-CB 3.61Å; Y115-L118 HydrophobicContact CD1-CD1 4.04Å; Y115-L118 HydrophobicContact CD1-CD2 4.48Å; Y115-L118 HydrophobicContact CD1-CG 4.26Å; Y115-L118 HydrophobicContact CE1-CB 3.95Å; Y115-L118 HydrophobicContact CE1-CD1 3.84Å; Y115-L118 HydrophobicContact CE1-CG 4.47Å; Y115-L118 HydrophobicContact CG-CB 4.33Å; Y115-L118 VanDerWaalsContact O-CB 3.23Å; Y115-L118 WeakPolarHBondContact O-CB 3.41Å; Y115-L118 PolarHBondContact O-N 2.96Å; Y115-S132 PolarHBondContact N-O 3.04Å; Y115-P460 HydrophobicContact CD1-CB 4.49Å; Y115-P460 HydrophobicContact CE1-CB 3.99Å; Y115-P460 HydrophobicContact CE1-CG 4.12Å; Y115-Y463 HydrophobicContact CD1-CD1 4.28Å; Y115-Y463 AromaticContact CD2-CD1 3.21Å; Y115-Y463 HydrophobicContact CD2-CD1 3.21Å; Y115-Y463 AromaticContact CD2-CD2 3.47Å; Y115-Y463 HydrophobicContact CD2-CD2 3.47Å; Y115-Y463 VanDerWaalsContact CD2-CD2 3.47Å; Y115-Y463 AromaticContact CD2-CE1 3.3Å; Y115-Y463 HydrophobicContact CD2-CE1 3.3Å; Y115-Y463 AromaticContact CD2-CE2 3.56Å; Y115-Y463 HydrophobicContact CD2-CE2 3.56Å; Y115-Y463 AromaticContact CD2-CG 3.28Å; Y115-Y463 HydrophobicContact CD2-CG 3.28Å; Y115-Y463 AromaticContact CD2-CZ 3.48Å; Y115-Y463 VanDerWaalsContact CD2-CZ 3.48Å; Y115-Y463 AromaticContact CE2-CD1 3.8Å; Y115-Y463 HydrophobicContact CE2-CD1 3.8Å; Y115-Y463 AromaticContact CE2-CD2 3.37Å; Y115-Y463 HydrophobicContact CE2-CD2 3.37Å; Y115-Y463 HydrophobicContact CE2-CE1 4.22Å; Y115-Y463 AromaticContact CE2-CE2 3.84Å; Y115-Y463 HydrophobicContact CE2-CE2 3.84Å; Y115-Y463 AromaticContact CE2-CG 3.34Å; Y115-Y463 HydrophobicContact CE2-CG 3.34Å; Y115-Y463 AromaticContact CG-CD1 3.51Å; Y115-Y463 HydrophobicContact CG-CD1 3.51Å; Y115-Y463 AromaticContact CG-CE1 3.67Å; Y115-Y463 HydrophobicContact CG-CE1 3.67Å; Y115-Y463 AromaticContact CG-CG 3.97Å; Y115-Y463 HydrophobicContact CG-CG 3.97Å; Y115-W464 VanDerWaalsContact CB-CZ2 3.43Å
116	Q	95.4	Very high	86.9	Confident	80 Å²	80	35.5 Å²	35.5	37%	0.374	19%	0.189	S	C	.	.	G	3₁₀ helix	trans	-54.8	-33.3	-176.9	-53.3	-174.8	9.9	0	0	114.9	Y114 L118 W119	Y114-Q116 PolarHBondContact O-N 3.39Å; Q116-L118 PolarHBondContact O-N 2.97Å; Q116-W119 HydrophobicContact CB-CD2 4.1Å; Q116-W119 HydrophobicContact CB-CE3 3.91Å; Q116-W119 HydrophobicContact CB-CH2 4.37Å; Q116-W119 HydrophobicContact CB-CZ3 4.03Å; Q116-W119 HydrophobicContact CG-CD2 4.4Å; Q116-W119 HydrophobicContact CG-CE3 4.13Å; Q116-W119 HydrophobicContact CG-CH2 3.68Å; Q116-W119 HydrophobicContact CG-CZ2 3.95Å; Q116-W119 HydrophobicContact CG-CZ3 3.74Å; Q116-W119 VanDerWaalsContact O-CB 3.25Å; Q116-W119 WeakPolarHBondContact O-CB 3.47Å; Q116-W119 PolarHBondContact O-N 2.95Å
117	P	95.6	Very high	89	Confident	47 Å²	47	33.4 Å²	33.4	31%	0.305	18%	0.177	S	C	.	.	G	3₁₀ helix	trans	-57.8	-18.2	173.5	-26.4	34.2	0	0	0	114.7	Y115 W119 T120 A382 K455	Y115-P117 VanDerWaalsContact C-N 3.3Å; Y115-P117 HydrophobicContact CD2-CB 4.18Å; Y115-P117 VanDerWaalsContact CD2-CD 3.49Å; Y115-P117 HydrophobicContact CD2-CG 3.91Å; Y115-P117 HydrophobicContact CE2-CB 3.55Å; Y115-P117 HydrophobicContact CE2-CG 3.54Å; P117-W119 VanDerWaalsContact C-N 3.32Å; P117-T120 PolarHBondContact O-OG1 3.25Å; P117-A382 HydrophobicContact CG-CB 4.31Å; P117-K455 PolarHBondContact O-NZ 3.5Å
118	L	97.2	Very high	91.3	Very high	1 Å²	1	31.9 Å²	31.9	1%	0.005	17%	0.169	C	C	.	.	G	3₁₀ helix	trans	-72.7	-24.3	173.5	-156.1	71.9	0	0	0	112.5	Y115 Q116 T120 L121 V122 K127 E131 P460	Y115-L118 HydrophobicContact CD1-CB 3.61Å; Y115-L118 HydrophobicContact CD1-CD1 4.04Å; Y115-L118 HydrophobicContact CD1-CD2 4.48Å; Y115-L118 HydrophobicContact CD1-CG 4.26Å; Y115-L118 HydrophobicContact CE1-CB 3.95Å; Y115-L118 HydrophobicContact CE1-CD1 3.84Å; Y115-L118 HydrophobicContact CE1-CG 4.47Å; Y115-L118 HydrophobicContact CG-CB 4.33Å; Y115-L118 VanDerWaalsContact O-CB 3.23Å; Y115-L118 WeakPolarHBondContact O-CB 3.41Å; Y115-L118 PolarHBondContact O-N 2.96Å; Q116-L118 PolarHBondContact O-N 2.97Å; L118-T120 PolarHBondContact O-N 3.04Å; L118-T120 VanDerWaalsContact O-N 3.12Å; L118-L121 HydrophobicContact CD1-CD1 4.11Å; L118-L121 WeakPolarHBondContact O-CA 3.29Å; L118-L121 WeakPolarHBondContact O-CB 3.3Å; L118-L121 PolarHBondContact O-N 2.82Å; L118-V122 HydrophobicContact CD2-CG2 4.49Å; L118-V122 HydrophobicContact CG-CG2 4.39Å; L118-V122 PolarHBondContact O-N 3.14Å; L118-K127 HydrophobicContact CD1-CG 4.2Å; L118-K127 HydrophobicContact CD2-CB 4.32Å; L118-K127 HydrophobicContact CG-CB 4.29Å; L118-K127 HydrophobicContact CG-CG 4.47Å; L118-E131 HydrophobicContact CD2-CB 3.79Å; L118-P460 HydrophobicContact CD1-CB 4.35Å; L118-P460 HydrophobicContact CD1-CG 3.9Å
119	W	97.9	Very high	93	Very high	11 Å²	11	28.4 Å²	28.4	4%	0.042	16%	0.155	C	C	.	.	H	α-helix	trans	-62.4	-25.1	-172.5	-65.6	-11.8	0	0	0	113.9	Y114 Q116 P117 L121 V122 G123 S132 N203 Y204 T206 V209	Y114-W119 AromaticContact CD1-CZ2 3.78Å; Y114-W119 HydrophobicContact CD1-CZ2 3.78Å; Y114-W119 HydrophobicContact CD2-CZ2 4.49Å; Y114-W119 AromaticContact CG-CZ2 3.75Å; Y114-W119 HydrophobicContact CG-CZ2 3.75Å; Q116-W119 HydrophobicContact CB-CD2 4.1Å; Q116-W119 HydrophobicContact CB-CE3 3.91Å; Q116-W119 HydrophobicContact CB-CH2 4.37Å; Q116-W119 HydrophobicContact CB-CZ3 4.03Å; Q116-W119 HydrophobicContact CG-CD2 4.4Å; Q116-W119 HydrophobicContact CG-CE3 4.13Å; Q116-W119 HydrophobicContact CG-CH2 3.68Å; Q116-W119 HydrophobicContact CG-CZ2 3.95Å; Q116-W119 HydrophobicContact CG-CZ3 3.74Å; Q116-W119 VanDerWaalsContact O-CB 3.25Å; Q116-W119 WeakPolarHBondContact O-CB 3.47Å; Q116-W119 PolarHBondContact O-N 2.95Å; P117-W119 VanDerWaalsContact C-N 3.32Å; W119-L121 VanDerWaalsContact C-N 3.27Å; W119-L121 PolarHBondContact O-N 2.83Å; W119-V122 PolarHBondContact O-N 3.1Å; W119-G123 PolarHBondContact O-N 3.45Å; W119-S132 PolarHBondContact NE1-OG 3.31Å; W119-S132 VanDerWaalsContact NE1-OG 3.09Å; W119-N203 WeakPolarHBondContact CB-O 3.09Å; W119-Y204 VanDerWaalsContact CZ3-O 3.26Å; W119-Y204 WeakPolarHBondContact CZ3-O 3.28Å; W119-T206 HydrophobicContact CH2-CG2 4.09Å; W119-T206 HydrophobicContact CZ2-CG2 3.63Å; W119-V209 HydrophobicContact CB-CG2 3.76Å; W119-V209 HydrophobicContact CG-CG2 4.17Å; W119-V209 WeakPolarHBondContact O-CG2 3.49Å
120	T	97.3	Very high	94.6	Very high	10 Å²	10	31.3 Å²	31.3	6%	0.061	16%	0.164	C	C	.	.	H	α-helix	trans	-63.5	-31.4	169.8	58.2	0	0	0	0	113.3	P117 L118 A238 K241 L245	P117-T120 PolarHBondContact O-OG1 3.25Å; L118-T120 PolarHBondContact O-N 3.04Å; L118-T120 VanDerWaalsContact O-N 3.12Å; T120-A238 HydrophobicContact CG2-CB 4Å; T120-K241 HydrophobicContact CG2-CB 4.37Å; T120-K241 HydrophobicContact CG2-CD 4.2Å; T120-L245 WeakPolarHBondContact O-CD1 3.36Å
121	L	98.4	Very high	95.8	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-84.3	-33.6	174.7	-56.7	-178.7	0	0	0	111.4	L118 W119 A124 G125 I126 K127 V419 T456	L118-L121 HydrophobicContact CD1-CD1 4.11Å; L118-L121 WeakPolarHBondContact O-CA 3.29Å; L118-L121 WeakPolarHBondContact O-CB 3.3Å; L118-L121 PolarHBondContact O-N 2.82Å; W119-L121 VanDerWaalsContact C-N 3.27Å; W119-L121 PolarHBondContact O-N 2.83Å; L121-A124 CarbonylContact O-C 3.26Å; L121-A124 PolarHBondContact O-N 3.49Å; L121-G125 PolarHBondContact O-N 3.28Å; L121-I126 HydrophobicContact CB-CB 4.14Å; L121-I126 HydrophobicContact CB-CG2 4.45Å; L121-I126 HydrophobicContact CD2-CD1 3.97Å; L121-I126 PolarHBondContact O-N 2.93Å; L121-K127 HydrophobicContact CB-CB 4.17Å; L121-K127 HydrophobicContact CB-CG 4.03Å; L121-K127 HydrophobicContact CD1-CG 4.21Å; L121-K127 PolarHBondContact O-N 3.05Å; L121-V419 HydrophobicContact CD2-CG1 4.4Å; L121-V419 HydrophobicContact CD2-CG2 4.17Å; L121-T456 HydrophobicContact CD1-CG2 4.24Å
122	V	98.5	Very high	96.5	Very high	6 Å²	6	31.9 Å²	31.9	4%	0.036	17%	0.165	C	C	.	.	H	α-helix	trans	-63.3	-49.1	174.3	179.4	0	0	0	0	111.1	L118 W119 A124 G125 K127 L129 V209 E210	L118-V122 HydrophobicContact CD2-CG2 4.49Å; L118-V122 HydrophobicContact CG-CG2 4.39Å; L118-V122 PolarHBondContact O-N 3.14Å; W119-V122 PolarHBondContact O-N 3.1Å; V122-A124 PolarHBondContact O-N 3.2Å; V122-A124 VanDerWaalsContact O-N 3.07Å; V122-G125 PolarHBondContact O-N 3.31Å; V122-K127 VanDerWaalsContact CA-O 3.26Å; V122-K127 WeakPolarHBondContact CA-O 3.35Å; V122-K127 HydrophobicContact CG2-CB 4.34Å; V122-L129 HydrophobicContact CG1-CB 4.01Å; V122-L129 HydrophobicContact CG1-CD1 4.35Å; V122-V209 HydrophobicContact CB-CG2 3.94Å; V122-V209 HydrophobicContact CG1-CG1 4.43Å; V122-V209 HydrophobicContact CG1-CG2 3.9Å; V122-E210 HydrophobicContact CG1-CG 4.22Å
123	G	98	Very high	96.8	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63	-16.7	178.1	0	0	0	0	0	114.2	W119 V209 T212 Y213	W119-G123 PolarHBondContact O-N 3.45Å; G123-V209 WeakPolarHBondContact CA-O 3.3Å; G123-T212 CarbonylContact O-C 3.56Å; G123-T212 WeakPolarHBondContact O-CB 3.47Å; G123-T212 VanDerWaalsContact O-CG2 3.24Å; G123-T212 WeakPolarHBondContact O-CG2 3.32Å; G123-Y213 WeakPolarHBondContact O-CA 3.41Å; G123-Y213 PolarHBondContact O-N 3.48Å; G123-Y213 VanDerWaalsContact O-N 3.09Å
124	A	98	Very high	96.8	Very high	1 Å²	1	35 Å²	35	1%	0.008	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.5	6.7	174	0	0	0	0	0	113.4	L121 V122 I126 Y216 L245 Y422	L121-A124 CarbonylContact O-C 3.26Å; L121-A124 PolarHBondContact O-N 3.49Å; V122-A124 PolarHBondContact O-N 3.2Å; V122-A124 VanDerWaalsContact O-N 3.07Å; A124-I126 HydrophobicContact CB-CD1 4.1Å; A124-I126 HydrophobicContact CB-CG1 4.23Å; A124-I126 PolarHBondContact O-N 3.29Å; A124-Y216 HydrophobicContact CB-CE2 4.34Å; A124-L245 HydrophobicContact CB-CB 3.86Å; A124-L245 HydrophobicContact CB-CD1 3.53Å; A124-L245 HydrophobicContact CB-CD2 4.48Å; A124-L245 HydrophobicContact CB-CG 4.16Å; A124-Y422 WeakPolarHBondContact O-CE1 3.27Å; A124-Y422 PolarHBondContact O-OH 2.85Å
125	G	97.7	Very high	96.7	Very high	36 Å²	36	35.4 Å²	35.4	37%	0.371	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	68.7	13.3	-179.9	0	0	0	0	0	114.9	L121 V122	L121-G125 PolarHBondContact O-N 3.28Å; V122-G125 PolarHBondContact O-N 3.31Å
126	I	98	Very high	96.5	Very high	33 Å²	33	35 Å²	35	17%	0.169	19%	0.189	C	C	.	.	S	Bend	trans	-79.1	-32.1	178.3	-61.9	168.7	0	0	0	110.7	L121 A124 L245 Y422 Y452 T456	L121-I126 HydrophobicContact CB-CB 4.14Å; L121-I126 HydrophobicContact CB-CG2 4.45Å; L121-I126 HydrophobicContact CD2-CD1 3.97Å; L121-I126 PolarHBondContact O-N 2.93Å; A124-I126 HydrophobicContact CB-CD1 4.1Å; A124-I126 HydrophobicContact CB-CG1 4.23Å; A124-I126 PolarHBondContact O-N 3.29Å; I126-L245 HydrophobicContact CD1-CD1 4.36Å; I126-L245 HydrophobicContact CD1-CD2 3.82Å; I126-Y422 HydrophobicContact CD1-CD1 3.79Å; I126-Y422 HydrophobicContact CD1-CE1 3.84Å; I126-Y422 HydrophobicContact CD1-CG 4.47Å; I126-Y422 HydrophobicContact CG1-CD1 3.62Å; I126-Y422 HydrophobicContact CG1-CE1 3.47Å; I126-Y422 VanDerWaalsContact CG1-CE1 3.47Å; I126-Y452 HydrophobicContact CD1-CE2 4.17Å; I126-T456 HydrophobicContact CG2-CG2 3.81Å
127	K	98	Very high	96.4	Very high	37 Å²	37	36.7 Å²	36.7	16%	0.161	20%	0.197	C	C	.	.	S	Bend	trans	-134.8	145.5	-177.9	-71.1	-60.3	-160.6	159	0	110.9	L118 L121 V122 E131	L118-K127 HydrophobicContact CD1-CG 4.2Å; L118-K127 HydrophobicContact CD2-CB 4.32Å; L118-K127 HydrophobicContact CG-CB 4.29Å; L118-K127 HydrophobicContact CG-CG 4.47Å; L121-K127 HydrophobicContact CB-CB 4.17Å; L121-K127 HydrophobicContact CB-CG 4.03Å; L121-K127 HydrophobicContact CD1-CG 4.21Å; L121-K127 PolarHBondContact O-N 3.05Å; V122-K127 VanDerWaalsContact CA-O 3.26Å; V122-K127 WeakPolarHBondContact CA-O 3.35Å; V122-K127 HydrophobicContact CG2-CB 4.34Å; K127-E131 WeakPolarHBondContact CD-OE2 3.3Å; K127-E131 WeakPolarHBondContact CE-OE2 3.36Å; K127-E131 IonicContact NZ-OE1 3.94Å; K127-E131 IonicContact NZ-OE2 3.98Å; K127-E131 PolarHBondContact NZ-OE2 3.07Å
128	P	97.2	Very high	96.2	Very high	51 Å²	51	41 Å²	41	33%	0.331	21%	0.211	S	C	.	.			trans	-79	149.3	173.4	34.1	-35.7	0	0	0	111.2	K130 E131	P128-K130 HydrophobicContact CB-CG 4.09Å; P128-K130 HydrophobicContact CG-CG 4.06Å; P128-K130 PolarHBondContact O-N 2.79Å; P128-E131 WeakPolarHBondContact CD-OE1 3.29Å; P128-E131 HydrophobicContact CG-CB 4.41Å; P128-E131 HydrophobicContact CG-CG 3.89Å; P128-E131 WeakPolarHBondContact CG-OE1 3.29Å; P128-E131 PolarHBondContact O-N 2.9Å; P128-E131 VanDerWaalsContact O-N 3.14Å
129	L	96.3	Very high	96	Very high	26 Å²	26	41 Å²	41	14%	0.136	21%	0.211	C	C	.	.	G	3₁₀ helix	trans	-57.5	-34.3	-179.8	-178.1	61.6	0	0	0	112.8	V122 E131 S132 V209 E210	V122-L129 HydrophobicContact CG1-CB 4.01Å; V122-L129 HydrophobicContact CG1-CD1 4.35Å; L129-E131 PolarHBondContact O-N 3.27Å; L129-E131 VanDerWaalsContact O-N 3.17Å; L129-S132 WeakPolarHBondContact CD1-OG 3.45Å; L129-S132 WeakPolarHBondContact O-CA 3.09Å; L129-S132 VanDerWaalsContact O-CB 3.31Å; L129-S132 WeakPolarHBondContact O-CB 3.34Å; L129-S132 PolarHBondContact O-N 3.32Å; L129-S132 PolarHBondContact O-OG 3.09Å; L129-V209 HydrophobicContact CD1-CG1 3.75Å; L129-V209 HydrophobicContact CD2-CG1 4.22Å; L129-E210 HydrophobicContact CB-CG 4.15Å; L129-E210 WeakPolarHBondContact CB-OE1 3.5Å; L129-E210 HydrophobicContact CD2-CG 4.16Å
130	K	95.7	Very high	95.9	Very high	166 Å²	166	41 Å²	41	72%	0.722	21%	0.212	S	C	*	.	G	3₁₀ helix	trans	-58.3	-26.9	179.2	72.2	-178.5	179.9	178.2	0	114.3	P128 S132	P128-K130 HydrophobicContact CB-CG 4.09Å; P128-K130 HydrophobicContact CG-CG 4.06Å; P128-K130 PolarHBondContact O-N 2.79Å; K130-S132 PolarHBondContact O-N 3.43Å
131	E	96.1	Very high	95.7	Very high	81 Å²	81	42.6 Å²	42.6	38%	0.379	22%	0.222	S	C	.	.	G	3₁₀ helix	trans	-73.2	-14.5	175	-79.4	-179.1	-135.7	0	0	112.6	L118 K127 P128 L129 W464	L118-E131 HydrophobicContact CD2-CB 3.79Å; K127-E131 WeakPolarHBondContact CD-OE2 3.3Å; K127-E131 WeakPolarHBondContact CE-OE2 3.36Å; K127-E131 IonicContact NZ-OE1 3.94Å; K127-E131 IonicContact NZ-OE2 3.98Å; K127-E131 PolarHBondContact NZ-OE2 3.07Å; P128-E131 WeakPolarHBondContact CD-OE1 3.29Å; P128-E131 HydrophobicContact CG-CB 4.41Å; P128-E131 HydrophobicContact CG-CG 3.89Å; P128-E131 WeakPolarHBondContact CG-OE1 3.29Å; P128-E131 PolarHBondContact O-N 2.9Å; P128-E131 VanDerWaalsContact O-N 3.14Å; L129-E131 PolarHBondContact O-N 3.27Å; L129-E131 VanDerWaalsContact O-N 3.17Å; E131-W464 PolarHBondContact O-NE1 2.86Å
132	S	96.1	Very high	95.5	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	26%	0.258	C	S	.	.	G	3₁₀ helix	trans	-90.1	-2.9	179.2	80.2	0	0	0	0	113.7	Y114 Y115 W119 L129 K130 W464	Y114-S132 CarbonylContact C-O 3.39Å; Y114-S132 WeakPolarHBondContact CA-O 3.35Å; Y115-S132 PolarHBondContact N-O 3.04Å; W119-S132 PolarHBondContact NE1-OG 3.31Å; W119-S132 VanDerWaalsContact NE1-OG 3.09Å; L129-S132 WeakPolarHBondContact CD1-OG 3.45Å; L129-S132 WeakPolarHBondContact O-CA 3.09Å; L129-S132 VanDerWaalsContact O-CB 3.31Å; L129-S132 WeakPolarHBondContact O-CB 3.34Å; L129-S132 PolarHBondContact O-N 3.32Å; L129-S132 PolarHBondContact O-OG 3.09Å; K130-S132 PolarHBondContact O-N 3.43Å; S132-W464 WeakPolarHBondContact O-CZ2 3.4Å
133	V	95.2	Very high	95.4	Very high	44 Å²	44	52 Å²	52	27%	0.267	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	138.8	-171.6	65.2	0	0	0	0	112.6	T112 H113 Y114	T112-V133 HydrophobicContact CG2-CG2 4.1Å; H113-V133 WeakPolarHBondContact O-CA 3.23Å; Y114-V133 HydrophobicContact CD1-CB 3.7Å; Y114-V133 HydrophobicContact CD1-CG2 3.9Å; Y114-V133 HydrophobicContact CE1-CB 3.51Å; Y114-V133 HydrophobicContact CE1-CG1 4.41Å; Y114-V133 HydrophobicContact CE1-CG2 3.51Å; Y114-V133 HydrophobicContact CE2-CG2 4.32Å; Y114-V133 HydrophobicContact CG-CG2 4.46Å
134	Q	94	Very high	95.4	Very high	43 Å²	43	52.6 Å²	52.6	20%	0.201	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	149.6	166.7	-64.8	-166.1	34.1	0	0	110.3	H113 L136 V139 W464	H113-Q134 PolarHBondContact N-O 2.8Å; H113-Q134 PolarHBondContact O-N 2.99Å; Q134-L136 PolarHBondContact O-N 2.82Å; Q134-V139 HydrophobicContact CB-CG2 3.82Å; Q134-W464 HydrophobicContact CB-CH2 4.05Å; Q134-W464 HydrophobicContact CB-CZ3 3.84Å; Q134-W464 HydrophobicContact CG-CD2 4.48Å; Q134-W464 HydrophobicContact CG-CE3 4.03Å; Q134-W464 HydrophobicContact CG-CH2 3.81Å; Q134-W464 HydrophobicContact CG-CZ2 4.23Å; Q134-W464 HydrophobicContact CG-CZ3 3.7Å; Q134-W464 VanDerWaalsContact NE2-CD2 3.33Å; Q134-W464 VanDerWaalsContact NE2-CE3 3.31Å
135	P	93.1	Very high	95.3	Very high	61 Å²	61	56.5 Å²	56.5	40%	0.396	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-55	132.6	167.9	-23.6	34.1	0	0	0	110.3	I110 E137 K138 V139	I110-P135 HydrophobicContact CG2-CB 4.05Å; P135-E137 PolarHBondContact O-N 3.11Å; P135-K138 HydrophobicContact CB-CB 4.32Å; P135-K138 WeakPolarHBondContact O-CB 3.37Å; P135-K138 PolarHBondContact O-N 2.81Å; P135-V139 PolarHBondContact O-N 2.83Å
136	L	93.2	Very high	95.2	Very high	0 Å²	0	56.3 Å²	56.3	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-60	-36.3	-176.3	-177.8	63.9	0	0	0	111.7	C62 E81 Q111 H113 Q134 K138 V139 L140 L146	C62-L136 WeakPolarHBondContact SG-CD1 3.45Å; E81-L136 HydrophobicContact CB-CD2 3.67Å; E81-L136 HydrophobicContact CG-CD2 3.6Å; Q111-L136 HydrophobicContact CB-CB 3.8Å; Q111-L136 HydrophobicContact CB-CD2 3.9Å; Q111-L136 WeakPolarHBondContact O-CB 3.46Å; Q111-L136 PolarHBondContact O-N 2.86Å; H113-L136 HydrophobicContact CB-CD1 4.11Å; Q134-L136 PolarHBondContact O-N 2.82Å; L136-K138 PolarHBondContact O-N 2.73Å; L136-V139 WeakPolarHBondContact O-CB 3.37Å; L136-V139 PolarHBondContact O-N 2.85Å; L136-L140 HydrophobicContact CD1-CD1 4.02Å; L136-L140 HydrophobicContact CD1-CG 3.99Å; L136-L140 HydrophobicContact CD2-CD1 4.17Å; L136-L140 HydrophobicContact CG-CD1 3.76Å; L136-L140 HydrophobicContact CG-CG 4.13Å; L136-L140 WeakPolarHBondContact O-CB 3.18Å; L136-L140 PolarHBondContact O-N 2.81Å; L136-L146 HydrophobicContact CD2-CD1 3.75Å; L136-L146 HydrophobicContact CD2-CD2 4.06Å; L136-L146 HydrophobicContact CG-CD2 4.43Å
137	E	91.8	Very high	95.1	Very high	116 Å²	116	56.6 Å²	56.6	54%	0.542	29%	0.287	S	S	.	.	H	α-helix	trans	-63	-26.2	175.1	-66.1	178.1	177.5	0	0	113.5	P135 L140 L146 K148	P135-E137 PolarHBondContact O-N 3.11Å; E137-L140 VanDerWaalsContact O-O 3.1Å; E137-L146 HydrophobicContact CG-CD2 3.97Å; E137-K148 WeakPolarHBondContact OE1-CE 3.26Å; E137-K148 IonicContact OE1-NZ 3.96Å; E137-K148 PolarHBondContact OE1-NZ 3.41Å
138	K	91.4	Very high	94.8	Very high	137 Å²	137	59.6 Å²	59.6	60%	0.596	30%	0.3	S	S	*	.	H	α-helix	trans	-78.9	-29.6	173.5	-175.8	-179.1	176	-177.6	0	111.6	P135 L136 K469	P135-K138 HydrophobicContact CB-CB 4.32Å; P135-K138 WeakPolarHBondContact O-CB 3.37Å; P135-K138 PolarHBondContact O-N 2.81Å; L136-K138 PolarHBondContact O-N 2.73Å; K138-K469 PolarHBondContact O-NZ 2.85Å
139	V	94.4	Very high	94.7	Very high	2 Å²	2	58.5 Å²	58.5	1%	0.012	29%	0.291	C	S	.	.	H	α-helix	trans	-77.1	-51.4	178.9	176.2	0	0	0	0	110.3	C62 N66 H113 Q134 P135 L136 W464 L468 K469	C62-V139 HydrophobicContact CB-CG1 4.02Å; N66-V139 PolarHBondContact ND2-O 2.88Å; H113-V139 HydrophobicContact CB-CG2 4.08Å; Q134-V139 HydrophobicContact CB-CG2 3.82Å; P135-V139 PolarHBondContact O-N 2.83Å; L136-V139 WeakPolarHBondContact O-CB 3.37Å; L136-V139 PolarHBondContact O-N 2.85Å; V139-W464 HydrophobicContact CG2-CE3 4.42Å; V139-W464 HydrophobicContact CG2-CZ3 3.92Å; V139-L468 HydrophobicContact CG1-CB 3.93Å; V139-L468 HydrophobicContact CG1-CD1 3.79Å; V139-L468 HydrophobicContact CG1-CG 4.34Å; V139-K469 PolarHBondContact O-NZ 3.21Å
140	L	94.5	Very high	94.5	Very high	11 Å²	11	62.9 Å²	62.9	6%	0.058	31%	0.309	C	S	.	.	S	Bend	trans	-70.5	149.1	177.7	-67.1	177.9	0	0	0	111.5	C62 A65 V79 L136 E137 L146	C62-L140 HydrophobicContact CB-CD2 4.2Å; A65-L140 HydrophobicContact CB-CD2 3.78Å; V79-L140 HydrophobicContact CB-CD1 4.31Å; V79-L140 HydrophobicContact CG1-CD1 4.39Å; V79-L140 HydrophobicContact CG2-CD1 4.31Å; V79-L140 HydrophobicContact CG2-CD2 4.34Å; L136-L140 HydrophobicContact CD1-CD1 4.02Å; L136-L140 HydrophobicContact CD1-CG 3.99Å; L136-L140 HydrophobicContact CD2-CD1 4.17Å; L136-L140 HydrophobicContact CG-CD1 3.76Å; L136-L140 HydrophobicContact CG-CG 4.13Å; L136-L140 WeakPolarHBondContact O-CB 3.18Å; L136-L140 PolarHBondContact O-N 2.81Å; E137-L140 VanDerWaalsContact O-O 3.1Å; L140-L146 HydrophobicContact CD1-CD1 3.98Å
141	T	93.6	Very high	94.5	Very high	44 Å²	44	55.9 Å²	55.9	27%	0.27	28%	0.279	S	S	.	.			trans	-70.5	143	168.5	179.8	0	0	0	0	110.9	N66 C69 K143 A144	N66-T141 WeakPolarHBondContact OD1-CB 3.24Å; N66-T141 VanDerWaalsContact OD1-CG2 3.25Å; N66-T141 WeakPolarHBondContact OD1-CG2 3.39Å; N66-T141 PolarHBondContact OD1-N 3.16Å; C69-T141 HydrophobicContact CB-CG2 3.49Å; C69-T141 VanDerWaalsContact CB-CG2 3.49Å; C69-T141 VanDerWaalsContact SG-CG2 3.55Å; T141-K143 HydrophobicContact CG2-CB 4.13Å; T141-K143 PolarHBondContact O-N 3.38Å; T141-K143 VanDerWaalsContact O-N 3.1Å; T141-K143 PolarHBondContact OG1-N 3.39Å; T141-A144 HydrophobicContact CG2-CB 4.14Å; T141-A144 PolarHBondContact O-N 3.07Å
142	S	94.2	Very high	94.6	Very high	108 Å²	108	55.1 Å²	55.1	76%	0.755	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.2	-9	175.5	60.6	0	0	0	0	113.9
143	K	96.5	Very high	94.6	Very high	95 Å²	95	58.6 Å²	58.6	41%	0.413	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.5	-26.2	170	-72.4	-169.7	175	-168.7	0	113.2	C69 N75 T141	C69-K143 HydrophobicContact CB-CB 3.99Å; C69-K143 HydrophobicContact CB-CD 4.46Å; C69-K143 WeakPolarHBondContact O-CD 3.28Å; N75-K143 PolarHBondContact N-O 3.37Å; T141-K143 HydrophobicContact CG2-CB 4.13Å; T141-K143 PolarHBondContact O-N 3.38Å; T141-K143 VanDerWaalsContact O-N 3.1Å; T141-K143 PolarHBondContact OG1-N 3.39Å
144	A	97.4	Very high	94.8	Very high	13 Å²	13	56.5 Å²	56.5	11%	0.107	28%	0.284	C	S	.	.	S	Bend	trans	-81.7	137.7	179.5	0	0	0	0	0	110.6	V77 T141	V77-A144 WeakPolarHBondContact O-CA 3.45Å; T141-A144 HydrophobicContact CG2-CB 4.14Å; T141-A144 PolarHBondContact O-N 3.07Å
145	K	96.9	Very high	94.9	Very high	83 Å²	83	55.9 Å²	55.9	36%	0.361	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	120.3	169	176.1	64.6	177.9	-177.3	0	109.1	N75 V77 A78 V79 Y147	N75-K145 HydrophobicContact CB-CB 4.15Å; V77-K145 PolarHBondContact O-N 3.46Å; A78-K145 CarbonylContact C-O 3.55Å; A78-K145 VanDerWaalsContact CA-O 3.23Å; A78-K145 WeakPolarHBondContact CA-O 3.09Å; A78-K145 HydrophobicContact CB-CB 4.13Å; V79-K145 PolarHBondContact N-O 3.21Å; K145-Y147 HydrophobicContact CB-CE2 4.44Å; K145-Y147 HydrophobicContact CG-CD2 4.08Å; K145-Y147 HydrophobicContact CG-CE2 3.49Å; K145-Y147 VanDerWaalsContact CG-CE2 3.49Å
146	L	95.7	Very high	95.2	Very high	31 Å²	31	53.1 Å²	53.1	16%	0.162	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	124.1	173.9	179.3	62.7	0	0	0	110.7	V79 E81 L136 E137 L140 K148	V79-L146 HydrophobicContact CB-CD1 4.31Å; V79-L146 HydrophobicContact CG1-CD1 4.4Å; E81-L146 HydrophobicContact CB-CD1 4.34Å; L136-L146 HydrophobicContact CD2-CD1 3.75Å; L136-L146 HydrophobicContact CD2-CD2 4.06Å; L136-L146 HydrophobicContact CG-CD2 4.43Å; E137-L146 HydrophobicContact CG-CD2 3.97Å; L140-L146 HydrophobicContact CD1-CD1 3.98Å; L146-K148 HydrophobicContact CD2-CG 4.28Å; L146-K148 HydrophobicContact CG-CG 4.2Å
147	Y	95.2	Very high	95.3	Very high	39 Å²	39	60.5 Å²	60.5	15%	0.153	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	118	167.1	-67.8	-85.6	0	0	0	109.2	H50 A78 V79 I80 E81 K145 D149 L163 I169	H50-Y147 AromaticContact CD2-CE2 3.98Å; H50-Y147 AromaticContact NE2-CE2 3.27Å; H50-Y147 VanDerWaalsContact NE2-CE2 3.27Å; H50-Y147 WeakPolarHBondContact NE2-CE2 3.21Å; H50-Y147 AromaticContact NE2-CZ 3.41Å; H50-Y147 PolarHBondContact NE2-OH 2.85Å; A78-Y147 HydrophobicContact CB-CD2 4.16Å; A78-Y147 HydrophobicContact CB-CE2 3.79Å; V79-Y147 PolarHBondContact O-N 3.05Å; I80-Y147 WeakPolarHBondContact CA-O 3.14Å; I80-Y147 HydrophobicContact CG1-CD2 4.21Å; I80-Y147 HydrophobicContact CG1-CG 4.35Å; E81-Y147 PolarHBondContact N-O 3.12Å; K145-Y147 HydrophobicContact CB-CE2 4.44Å; K145-Y147 HydrophobicContact CG-CD2 4.08Å; K145-Y147 HydrophobicContact CG-CE2 3.49Å; K145-Y147 VanDerWaalsContact CG-CE2 3.49Å; Y147-D149 PolarHBondContact O-N 3.44Å; Y147-D149 VanDerWaalsContact O-N 3.13Å; Y147-L163 HydrophobicContact CD1-CD1 4.2Å; Y147-I169 HydrophobicContact CD1-CD1 3.86Å; Y147-I169 HydrophobicContact CD2-CD1 3.99Å; Y147-I169 HydrophobicContact CE1-CD1 3.81Å; Y147-I169 HydrophobicContact CE2-CD1 3.93Å; Y147-I169 HydrophobicContact CG-CD1 3.95Å
148	K	93.2	Very high	95.6	Very high	100 Å²	100	60.6 Å²	60.6	44%	0.435	30%	0.296	S	S	.	.			trans	-89.1	53.1	-175.1	-69.3	-175.4	173.7	-164.5	0	111	Q111 E137 L146	Q111-K148 VanDerWaalsContact CD-CD 3.46Å; Q111-K148 HydrophobicContact CG-CG 4.12Å; Q111-K148 VanDerWaalsContact NE2-CG 3.33Å; E137-K148 WeakPolarHBondContact OE1-CE 3.26Å; E137-K148 IonicContact OE1-NZ 3.96Å; E137-K148 PolarHBondContact OE1-NZ 3.41Å; L146-K148 HydrophobicContact CD2-CG 4.28Å; L146-K148 HydrophobicContact CG-CG 4.2Å
149	D	93.7	Very high	95.9	Very high	28 Å²	28	55.3 Å²	55.3	15%	0.15	28%	0.276	C	S	.	.	S	Bend	trans	-146.7	167	-170.9	-155.7	-18.3	0	0	0	110.3	I80 E81 Y147 L163 S164	I80-D149 WeakPolarHBondContact CG2-O 3.45Å; E81-D149 CarbonylContact C-O 3.57Å; Y147-D149 PolarHBondContact O-N 3.44Å; Y147-D149 VanDerWaalsContact O-N 3.13Å; D149-L163 HydrophobicContact CB-CD1 4.16Å; D149-L163 HydrophobicContact CB-CD2 4.29Å; D149-S164 VanDerWaalsContact OD1-CB 3.29Å; D149-S164 WeakPolarHBondContact OD1-CB 3.33Å; D149-S164 PolarHBondContact OD1-OG 3.47Å
150	K	93.3	Very high	96.1	Very high	118 Å²	118	57.3 Å²	57.3	51%	0.513	28%	0.284	S	S	.	.			trans	-96.6	147.7	169.5	64.9	-175.1	-179.4	-178.9	0	109.8	P82 L163 S164	P82-K150 HydrophobicContact CB-CB 3.74Å; P82-K150 HydrophobicContact CG-CB 4.11Å; K150-L163 CarbonylContact O-C 3.53Å; K150-L163 WeakPolarHBondContact O-CA 3.4Å; K150-S164 PolarHBondContact O-N 2.86Å
151	I	95.9	Very high	96.3	Very high	19 Å²	19	56.8 Å²	56.8	10%	0.097	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	146.1	164	60.5	160.7	0	0	0	110.4	V55 I80 I154 V161 V162 L163 L178 I336	V55-I151 HydrophobicContact CG1-CD1 3.55Å; V55-I151 HydrophobicContact CG1-CG1 3.82Å; V55-I151 HydrophobicContact CG1-CG2 4.05Å; V55-I151 HydrophobicContact CG2-CD1 4.45Å; I80-I151 HydrophobicContact CB-CG2 4.49Å; I80-I151 HydrophobicContact CD1-CG2 3.63Å; I80-I151 HydrophobicContact CG2-CG2 3.98Å; I151-I154 HydrophobicContact CD1-CD1 3.61Å; I151-I154 HydrophobicContact CD1-CG1 3.59Å; I151-V161 HydrophobicContact CG2-CB 4.2Å; I151-V161 HydrophobicContact CG2-CG2 4.09Å; I151-V162 CarbonylContact C-O 3.26Å; I151-V162 WeakPolarHBondContact CA-O 3.43Å; I151-L163 HydrophobicContact CG2-CD2 4.21Å; I151-L178 HydrophobicContact CD1-CD2 4.46Å; I151-I336 HydrophobicContact CD1-CD1 4.44Å; I151-I336 HydrophobicContact CD1-CG1 3.64Å; I151-I336 HydrophobicContact CD1-CG2 4.38Å; I151-I336 HydrophobicContact CG1-CG1 4.09Å
152	T	96.5	Very high	96.5	Very high	66 Å²	66	55.8 Å²	55.8	41%	0.405	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	-20.8	176.1	57.2	0	0	0	0	112.4	V162 L163 I336	T152-V162 PolarHBondContact N-O 2.97Å; T152-V162 PolarHBondContact OG1-O 3.44Å; T152-L163 PolarHBondContact OG1-O 2.69Å; T152-L163 VanDerWaalsContact OG1-O 3.09Å; T152-I336 VanDerWaalsContact C-CD1 3.47Å; T152-I336 VanDerWaalsContact O-CD1 3.29Å; T152-I336 WeakPolarHBondContact O-CD1 3.35Å
153	H	97.5	Very high	96.6	Very high	72 Å²	72	50.9 Å²	50.9	33%	0.333	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	147.4	179	-176.8	70.9	0	0	0	111.2	V161 V162	H153-V161 WeakPolarHBondContact O-CA 3.34Å; H153-V162 HydrophobicContact CB-CB 3.94Å; H153-V162 HydrophobicContact CB-CG2 3.86Å; H153-V162 PolarHBondContact N-O 3.01Å; H153-V162 PolarHBondContact O-N 2.76Å
154	I	98.3	Very high	96.6	Very high	1 Å²	1	49.2 Å²	49.2	1%	0.005	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	122.2	171.7	-53.5	170.1	0	0	0	107.1	I151 P156 V161 L174 L176 I336 T340 L343	I151-I154 HydrophobicContact CD1-CD1 3.61Å; I151-I154 HydrophobicContact CD1-CG1 3.59Å; I154-P156 WeakPolarHBondContact O-CD 3.49Å; I154-V161 HydrophobicContact CG1-CG1 4.23Å; I154-V161 HydrophobicContact CG2-CG1 4.25Å; I154-L174 HydrophobicContact CG2-CD2 3.93Å; I154-L176 HydrophobicContact CD1-CD2 4.03Å; I154-I336 HydrophobicContact CD1-CG1 3.98Å; I154-I336 HydrophobicContact CG1-CG1 4.16Å; I154-T340 HydrophobicContact CB-CG2 4.31Å; I154-L343 HydrophobicContact CB-CD1 4.21Å; I154-L343 HydrophobicContact CD1-CD1 4.05Å; I154-L343 HydrophobicContact CG2-CD1 3.78Å
155	E	97.6	Very high	96.4	Very high	30 Å²	30	53.1 Å²	53.1	14%	0.14	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	96.8	170.7	-178.8	48.5	-104.2	0	0	108.8	K157 E158 S159 Y160 Y171	E155-K157 WeakPolarHBondContact OE1-CB 3.1Å; E155-K157 PolarHBondContact OE1-N 2.87Å; E155-K157 VanDerWaalsContact OE1-N 3.14Å; E155-E158 HydrophobicContact CG-CB 3.77Å; E155-E158 HydrophobicContact CG-CG 3.86Å; E155-S159 PolarHBondContact O-N 3.2Å; E155-S159 VanDerWaalsContact O-N 3.12Å; E155-Y160 HydrophobicContact CB-CD1 3.9Å; E155-Y160 HydrophobicContact CB-CD2 4.31Å; E155-Y160 HydrophobicContact CB-CE1 3.49Å; E155-Y160 VanDerWaalsContact CB-CE1 3.49Å; E155-Y160 HydrophobicContact CB-CE2 3.93Å; E155-Y160 HydrophobicContact CB-CG 4.29Å; E155-Y160 VanDerWaalsContact CB-CZ 3.49Å; E155-Y160 HydrophobicContact CG-CD1 4.18Å; E155-Y160 HydrophobicContact CG-CE1 3.55Å; E155-Y160 PolarHBondContact N-O 3.37Å; E155-Y160 PolarHBondContact O-N 3.1Å; E155-Y171 PolarHBondContact O-OH 2.82Å
156	P	97.8	Very high	96.3	Very high	2 Å²	2	51.4 Å²	51.4	1%	0.013	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.8	-29.3	-174	28.8	-36.2	0	0	0	113.6	I154 L343 Y364 I367	I154-P156 WeakPolarHBondContact O-CD 3.49Å; P156-L343 HydrophobicContact CB-CD2 3.85Å; P156-L343 HydrophobicContact CB-CG 4.38Å; P156-L343 HydrophobicContact CG-CD2 4.21Å; P156-L343 HydrophobicContact CG-CG 4.3Å; P156-Y364 HydrophobicContact CB-CD1 4.08Å; P156-Y364 HydrophobicContact CB-CD2 3.85Å; P156-Y364 HydrophobicContact CB-CE1 3.89Å; P156-Y364 HydrophobicContact CB-CE2 3.67Å; P156-Y364 HydrophobicContact CB-CG 4.08Å; P156-Y364 HydrophobicContact CG-CD2 4.35Å; P156-Y364 HydrophobicContact CG-CE1 4.08Å; P156-Y364 HydrophobicContact CG-CE2 3.66Å; P156-I367 HydrophobicContact CB-CD1 3.45Å; P156-I367 VanDerWaalsContact CB-CD1 3.45Å
157	K	97.1	Very high	96.3	Very high	155 Å²	155	54.2 Å²	54.2	67%	0.674	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.6	-44.5	-177.8	-174	-174.5	172.4	-170.8	0	111.5	E155 S159	E155-K157 WeakPolarHBondContact OE1-CB 3.1Å; E155-K157 PolarHBondContact OE1-N 2.87Å; E155-K157 VanDerWaalsContact OE1-N 3.14Å; K157-S159 VanDerWaalsContact C-N 3.3Å
158	E	97.3	Very high	96.4	Very high	119 Å²	119	55.9 Å²	55.9	56%	0.556	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.5	5.3	-178.9	-51	-57.4	136.9	0	0	112.5	E155 Y160	E155-E158 HydrophobicContact CG-CB 3.77Å; E155-E158 HydrophobicContact CG-CG 3.86Å; E158-Y160 HydrophobicContact CB-CD1 3.76Å; E158-Y160 HydrophobicContact CB-CE1 3.7Å; E158-Y160 HydrophobicContact CG-CE1 4.41Å; E158-Y160 PolarHBondContact O-N 3.06Å
159	S	98.1	Very high	96.6	Very high	26 Å²	26	51.1 Å²	51.1	18%	0.182	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	53.5	51	174.1	-58.6	0	0	0	0	114.9	E155 K157 S170 Y171 N366	E155-S159 PolarHBondContact O-N 3.2Å; E155-S159 VanDerWaalsContact O-N 3.12Å; K157-S159 VanDerWaalsContact C-N 3.3Å; S159-S170 WeakPolarHBondContact O-CA 3.31Å; S159-Y171 VanDerWaalsContact C-CZ 3.42Å; S159-Y171 VanDerWaalsContact CA-CZ 3.43Å; S159-Y171 WeakPolarHBondContact CB-O 3.35Å; S159-Y171 WeakPolarHBondContact O-CD1 3.49Å; S159-Y171 PolarHBondContact O-N 2.7Å; S159-N366 PolarHBondContact OG-ND2 2.79Å
160	Y	98.1	Very high	96.8	Very high	44 Å²	44	51.3 Å²	51.3	17%	0.173	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	159.8	170.9	73.1	-92.4	0	0	0	113.1	E155 E158 V162 K168 I169 Y171	E155-Y160 HydrophobicContact CB-CD1 3.9Å; E155-Y160 HydrophobicContact CB-CD2 4.31Å; E155-Y160 HydrophobicContact CB-CE1 3.49Å; E155-Y160 VanDerWaalsContact CB-CE1 3.49Å; E155-Y160 HydrophobicContact CB-CE2 3.93Å; E155-Y160 HydrophobicContact CB-CG 4.29Å; E155-Y160 VanDerWaalsContact CB-CZ 3.49Å; E155-Y160 HydrophobicContact CG-CD1 4.18Å; E155-Y160 HydrophobicContact CG-CE1 3.55Å; E155-Y160 PolarHBondContact N-O 3.37Å; E155-Y160 PolarHBondContact O-N 3.1Å; E158-Y160 HydrophobicContact CB-CD1 3.76Å; E158-Y160 HydrophobicContact CB-CE1 3.7Å; E158-Y160 HydrophobicContact CG-CE1 4.41Å; E158-Y160 PolarHBondContact O-N 3.06Å; Y160-V162 HydrophobicContact CD2-CG2 4.12Å; Y160-V162 HydrophobicContact CE2-CG2 3.77Å; Y160-K168 HydrophobicContact CD2-CB 4.4Å; Y160-K168 HydrophobicContact CD2-CD 3.94Å; Y160-K168 HydrophobicContact CD2-CG 4.22Å; Y160-K168 HydrophobicContact CE2-CD 3.85Å; Y160-K168 HydrophobicContact CE2-CG 4.38Å; Y160-I169 CarbonylContact C-O 3.51Å; Y160-I169 VanDerWaalsContact CA-O 3.22Å; Y160-I169 WeakPolarHBondContact CA-O 3.19Å; Y160-I169 WeakPolarHBondContact CB-O 3.34Å; Y160-Y171 VanDerWaalsContact C-CE1 3.49Å
161	V	98.3	Very high	97.1	Very high	0 Å²	0	46 Å²	46	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	160	167.2	-55.9	0	0	0	0	110.1	L53 I80 I151 H153 I154 K168 I169 Y171 L174	L53-V161 HydrophobicContact CD2-CB 4.47Å; L53-V161 HydrophobicContact CD2-CG1 4.05Å; L53-V161 HydrophobicContact CD2-CG2 3.56Å; I80-V161 HydrophobicContact CD1-CG2 3.77Å; I151-V161 HydrophobicContact CG2-CB 4.2Å; I151-V161 HydrophobicContact CG2-CG2 4.09Å; H153-V161 WeakPolarHBondContact O-CA 3.34Å; I154-V161 HydrophobicContact CG1-CG1 4.23Å; I154-V161 HydrophobicContact CG2-CG1 4.25Å; V161-K168 WeakPolarHBondContact O-CA 3.09Å; V161-I169 HydrophobicContact CG2-CB 3.96Å; V161-I169 PolarHBondContact N-O 2.95Å; V161-I169 PolarHBondContact O-N 2.68Å; V161-Y171 HydrophobicContact CG1-CD1 4.39Å; V161-Y171 HydrophobicContact CG1-CE1 3.87Å; V161-L174 HydrophobicContact CG1-CD1 4.38Å
162	V	97.8	Very high	97.2	Very high	22 Å²	22	48.9 Å²	48.9	13%	0.133	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	129.5	172.7	-167.4	0	0	0	0	108.8	I151 T152 H153 Y160 D167 K168	I151-V162 CarbonylContact C-O 3.26Å; I151-V162 WeakPolarHBondContact CA-O 3.43Å; T152-V162 PolarHBondContact N-O 2.97Å; T152-V162 PolarHBondContact OG1-O 3.44Å; H153-V162 HydrophobicContact CB-CB 3.94Å; H153-V162 HydrophobicContact CB-CG2 3.86Å; H153-V162 PolarHBondContact N-O 3.01Å; H153-V162 PolarHBondContact O-N 2.76Å; Y160-V162 HydrophobicContact CD2-CG2 4.12Å; Y160-V162 HydrophobicContact CE2-CG2 3.77Å; V162-D167 WeakPolarHBondContact CA-O 3.28Å; V162-K168 HydrophobicContact CG2-CG 4.32Å
163	L	97	Very high	97.3	Very high	6 Å²	6	47.7 Å²	47.7	3%	0.031	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78	174.9	173.6	-67.2	-168.5	0	0	0	111.5	I80 Y147 D149 K150 I151 T152 N165 G166 D167 I169	I80-L163 HydrophobicContact CD1-CD2 3.85Å; I80-L163 HydrophobicContact CG1-CD2 4.3Å; I80-L163 HydrophobicContact CG2-CD2 4.07Å; Y147-L163 HydrophobicContact CD1-CD1 4.2Å; D149-L163 HydrophobicContact CB-CD1 4.16Å; D149-L163 HydrophobicContact CB-CD2 4.29Å; K150-L163 CarbonylContact O-C 3.53Å; K150-L163 WeakPolarHBondContact O-CA 3.4Å; I151-L163 HydrophobicContact CG2-CD2 4.21Å; T152-L163 PolarHBondContact OG1-O 2.69Å; T152-L163 VanDerWaalsContact OG1-O 3.09Å; L163-N165 VanDerWaalsContact C-N 3.29Å; L163-N165 VanDerWaalsContact CB-OD1 3.25Å; L163-N165 WeakPolarHBondContact CB-OD1 3.5Å; L163-N165 PolarHBondContact O-N 2.91Å; L163-G166 PolarHBondContact O-N 3.48Å; L163-D167 HydrophobicContact CB-CB 4.47Å; L163-D167 HydrophobicContact CD1-CB 4.41Å; L163-D167 PolarHBondContact N-O 3.47Å; L163-I169 HydrophobicContact CD1-CD1 3.77Å; L163-I169 HydrophobicContact CD1-CG1 4.45Å; L163-I169 HydrophobicContact CD2-CD1 3.92Å; L163-I169 HydrophobicContact CG-CD1 3.84Å; L163-I169 HydrophobicContact CG-CG1 4.34Å
164	S	95.3	Very high	97.3	Very high	60 Å²	60	44.2 Å²	44.2	42%	0.42	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.9	-22.3	179	79.7	0	0	0	0	114	D149 K150 G166	D149-S164 VanDerWaalsContact OD1-CB 3.29Å; D149-S164 WeakPolarHBondContact OD1-CB 3.33Å; D149-S164 PolarHBondContact OD1-OG 3.47Å; K150-S164 PolarHBondContact O-N 2.86Å; S164-G166 PolarHBondContact O-N 2.8Å
165	N	93.1	Very high	97.4	Very high	94 Å²	94	44.2 Å²	44.2	50%	0.503	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.1	-2.5	171.8	71.3	-6.8	0	0	0	113.8	L163 D167	L163-N165 VanDerWaalsContact C-N 3.29Å; L163-N165 VanDerWaalsContact CB-OD1 3.25Å; L163-N165 WeakPolarHBondContact CB-OD1 3.5Å; L163-N165 PolarHBondContact O-N 2.91Å; N165-D167 PolarHBondContact ND2-OD2 3.24Å; N165-D167 VanDerWaalsContact OD1-CB 3.26Å; N165-D167 WeakPolarHBondContact OD1-CB 3.47Å; N165-D167 PolarHBondContact OD1-N 2.57Å; N165-D167 PolarHBondContact OD1-OD2 3.17Å
166	G	94.8	Very high	97.4	Very high	48 Å²	48	42.8 Å²	42.8	50%	0.495	23%	0.226	S	C	.	.	S	Bend	trans	90.9	-5.8	-178.6	0	0	0	0	0	115	L163 S164	L163-G166 PolarHBondContact O-N 3.48Å; S164-G166 PolarHBondContact O-N 2.8Å
167	D	95.7	Very high	97.4	Very high	89 Å²	89	43.1 Å²	43.1	48%	0.476	23%	0.229	S	C	.	.			trans	-65.2	139.5	177.5	-70.3	-19.5	0	0	0	111	V162 L163 N165	V162-D167 WeakPolarHBondContact CA-O 3.28Å; L163-D167 HydrophobicContact CB-CB 4.47Å; L163-D167 HydrophobicContact CD1-CB 4.41Å; L163-D167 PolarHBondContact N-O 3.47Å; N165-D167 PolarHBondContact ND2-OD2 3.24Å; N165-D167 VanDerWaalsContact OD1-CB 3.26Å; N165-D167 WeakPolarHBondContact OD1-CB 3.47Å; N165-D167 PolarHBondContact OD1-N 2.57Å; N165-D167 PolarHBondContact OD1-OD2 3.17Å
168	K	97.4	Very high	97.4	Very high	75 Å²	75	37.5 Å²	37.5	33%	0.326	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	133.8	172.1	-63.3	-167.2	179.8	-173.1	0	110.2	Q47 P48 Y160 V161 V162	Q47-K168 HydrophobicContact CG-CB 4.27Å; P48-K168 WeakPolarHBondContact CD-O 3.48Å; Y160-K168 HydrophobicContact CD2-CB 4.4Å; Y160-K168 HydrophobicContact CD2-CD 3.94Å; Y160-K168 HydrophobicContact CD2-CG 4.22Å; Y160-K168 HydrophobicContact CE2-CD 3.85Å; Y160-K168 HydrophobicContact CE2-CG 4.38Å; V161-K168 WeakPolarHBondContact O-CA 3.09Å; V162-K168 HydrophobicContact CG2-CG 4.32Å
169	I	98.1	Very high	97.3	Very high	0 Å²	0	33 Å²	33	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	116.9	172.3	-57.1	177.3	0	0	0	108.1	P48 L53 I80 Y147 Y160 V161 L163	P48-I169 HydrophobicContact CG-CB 4.5Å; P48-I169 HydrophobicContact CG-CG1 3.93Å; P48-I169 WeakPolarHBondContact O-CA 3.48Å; L53-I169 HydrophobicContact CD1-CG2 4.21Å; L53-I169 HydrophobicContact CD2-CB 4.41Å; L53-I169 HydrophobicContact CD2-CG2 3.95Å; I80-I169 HydrophobicContact CD1-CD1 4.09Å; I80-I169 HydrophobicContact CG1-CD1 4.49Å; Y147-I169 HydrophobicContact CD1-CD1 3.86Å; Y147-I169 HydrophobicContact CD2-CD1 3.99Å; Y147-I169 HydrophobicContact CE1-CD1 3.81Å; Y147-I169 HydrophobicContact CE2-CD1 3.93Å; Y147-I169 HydrophobicContact CG-CD1 3.95Å; Y160-I169 CarbonylContact C-O 3.51Å; Y160-I169 VanDerWaalsContact CA-O 3.22Å; Y160-I169 WeakPolarHBondContact CA-O 3.19Å; Y160-I169 WeakPolarHBondContact CB-O 3.34Å; V161-I169 HydrophobicContact CG2-CB 3.96Å; V161-I169 PolarHBondContact N-O 2.95Å; V161-I169 PolarHBondContact O-N 2.68Å; L163-I169 HydrophobicContact CD1-CD1 3.77Å; L163-I169 HydrophobicContact CD1-CG1 4.45Å; L163-I169 HydrophobicContact CD2-CD1 3.92Å; L163-I169 HydrophobicContact CG-CD1 3.84Å; L163-I169 HydrophobicContact CG-CG1 4.34Å
170	S	98.3	Very high	97.2	Very high	31 Å²	31	32.9 Å²	32.9	22%	0.217	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85	151.4	174	-65	0	0	0	0	111.2	P48 K49 H50 S159	P48-S170 PolarHBondContact O-N 3.45Å; K49-S170 WeakPolarHBondContact CA-O 3.29Å; H50-S170 PolarHBondContact N-O 3.22Å; S159-S170 WeakPolarHBondContact O-CA 3.31Å
171	Y	98.4	Very high	97.1	Very high	6 Å²	6	33.2 Å²	33.2	2%	0.024	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	153.4	178.2	54.7	-99.2	0	0	0	111.8	H50 L53 E155 S159 Y160 V161 L174	H50-Y171 CarbonylContact O-C 3.58Å; H50-Y171 VanDerWaalsContact O-CA 3.25Å; H50-Y171 WeakPolarHBondContact O-CA 3.48Å; L53-Y171 HydrophobicContact CB-CD1 4.33Å; L53-Y171 HydrophobicContact CB-CG 4.24Å; L53-Y171 HydrophobicContact CD2-CD1 3.77Å; L53-Y171 HydrophobicContact CD2-CG 4.48Å; E155-Y171 PolarHBondContact O-OH 2.82Å; S159-Y171 VanDerWaalsContact C-CZ 3.42Å; S159-Y171 VanDerWaalsContact CA-CZ 3.43Å; S159-Y171 WeakPolarHBondContact CB-O 3.35Å; S159-Y171 WeakPolarHBondContact O-CD1 3.49Å; S159-Y171 PolarHBondContact O-N 2.7Å; Y160-Y171 VanDerWaalsContact C-CE1 3.49Å; V161-Y171 HydrophobicContact CG1-CD1 4.39Å; V161-Y171 HydrophobicContact CG1-CE1 3.87Å; Y171-L174 HydrophobicContact CD1-CD1 4.18Å; Y171-L174 HydrophobicContact CD2-CB 3.78Å; Y171-L174 HydrophobicContact CE1-CB 4.3Å; Y171-L174 HydrophobicContact CE1-CD1 4.07Å; Y171-L174 HydrophobicContact CE1-CD2 4.11Å; Y171-L174 HydrophobicContact CE1-CG 4.4Å; Y171-L174 HydrophobicContact CE2-CB 3.55Å; Y171-L174 HydrophobicContact CE2-CD2 4.33Å; Y171-L174 HydrophobicContact CE2-CG 4.43Å; Y171-L174 HydrophobicContact CG-CB 4.25Å
172	E	98.3	Very high	97	Very high	80 Å²	80	35.5 Å²	35.5	37%	0.374	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	-44	164.1	-61.2	-177.9	-178.1	0	0	110.2	K49 H50 K51 N366	K49-E172 WeakPolarHBondContact CE-OE1 3.07Å; K49-E172 IonicContact NZ-OE1 2.81Å; K49-E172 PolarHBondContact NZ-OE1 3.22Å; H50-E172 PolarHBondContact O-N 3.16Å; K51-E172 WeakPolarHBondContact O-CB 3.18Å; K51-E172 PolarHBondContact O-N 3.32Å; E172-N366 WeakPolarHBondContact O-CB 3.41Å; E172-N366 PolarHBondContact O-ND2 3.06Å
173	Y	98.8	Very high	97	Very high	41 Å²	41	37.9 Å²	37.9	16%	0.161	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	141	174.8	-58.9	-88.4	0	0	0	111.8	K51 I52 L53 N366 F368 L396 V399 I400	K51-Y173 PolarHBondContact O-N 2.89Å; I52-Y173 CarbonylContact C-O 3.56Å; I52-Y173 WeakPolarHBondContact CA-O 3.45Å; L53-Y173 PolarHBondContact N-O 3.48Å; Y173-N366 CarbonylContact C-O 3.52Å; Y173-N366 VanDerWaalsContact CA-O 3.26Å; Y173-N366 WeakPolarHBondContact CA-O 3.49Å; Y173-N366 HydrophobicContact CD1-CB 3.86Å; Y173-N366 HydrophobicContact CE1-CB 4.23Å; Y173-F368 HydrophobicContact CD1-CE2 4.36Å; Y173-L396 HydrophobicContact CD1-CD1 3.52Å; Y173-L396 HydrophobicContact CD2-CD1 4.36Å; Y173-L396 HydrophobicContact CE1-CD1 4.06Å; Y173-L396 HydrophobicContact CG-CD1 3.7Å; Y173-V399 HydrophobicContact CE1-CG1 3.69Å; Y173-I400 HydrophobicContact CD2-CD1 4.15Å; Y173-I400 HydrophobicContact CD2-CG1 4Å; Y173-I400 HydrophobicContact CE1-CG1 4.47Å; Y173-I400 HydrophobicContact CE2-CD1 4.1Å; Y173-I400 HydrophobicContact CE2-CG1 3.46Å; Y173-I400 VanDerWaalsContact CE2-CG1 3.46Å
174	L	98.8	Very high	97	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	133	177.4	-176.7	67.5	0	0	0	110.6	L53 V55 I154 V161 Y171 L176 N366 I367 F368	L53-L174 HydrophobicContact CB-CD1 4.17Å; L53-L174 HydrophobicContact CD2-CD1 4.18Å; L53-L174 HydrophobicContact CG-CD1 4.21Å; L53-L174 CarbonylContact O-C 3.04Å; L53-L174 WeakPolarHBondContact O-CA 3.42Å; V55-L174 HydrophobicContact CG2-CD1 3.73Å; I154-L174 HydrophobicContact CG2-CD2 3.93Å; V161-L174 HydrophobicContact CG1-CD1 4.38Å; Y171-L174 HydrophobicContact CD1-CD1 4.18Å; Y171-L174 HydrophobicContact CD2-CB 3.78Å; Y171-L174 HydrophobicContact CE1-CB 4.3Å; Y171-L174 HydrophobicContact CE1-CD1 4.07Å; Y171-L174 HydrophobicContact CE1-CD2 4.11Å; Y171-L174 HydrophobicContact CE1-CG 4.4Å; Y171-L174 HydrophobicContact CE2-CB 3.55Å; Y171-L174 HydrophobicContact CE2-CD2 4.33Å; Y171-L174 HydrophobicContact CE2-CG 4.43Å; Y171-L174 HydrophobicContact CG-CB 4.25Å; L174-L176 HydrophobicContact CD1-CD2 4.39Å; L174-L176 HydrophobicContact CD2-CD2 3.89Å; L174-L176 HydrophobicContact CD2-CG 4.2Å; L174-L176 HydrophobicContact CG-CD2 4.07Å; L174-L176 HydrophobicContact CG-CG 4.29Å; L174-N366 PolarHBondContact N-O 3.3Å; L174-I367 HydrophobicContact CB-CG1 4.15Å; L174-I367 HydrophobicContact CB-CG2 4.44Å; L174-I367 HydrophobicContact CD2-CD1 4.22Å; L174-I367 HydrophobicContact CD2-CG1 4.44Å; L174-I367 HydrophobicContact CD2-CG2 4.3Å; L174-I367 CarbonylContact O-C 3.5Å; L174-I367 WeakPolarHBondContact O-CA 3.49Å; L174-F368 PolarHBondContact O-N 3.34Å
175	I	98.9	Very high	97.1	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	118.4	170.2	-58.4	174	0	0	0	108.7	I52 L53 I54 V55 M64 L68 F368 L370 L392 L396	I52-I175 HydrophobicContact CG2-CD1 3.82Å; I52-I175 HydrophobicContact CG2-CG1 4.18Å; L53-I175 PolarHBondContact O-N 3.18Å; I54-I175 CarbonylContact C-O 3.55Å; I54-I175 WeakPolarHBondContact CA-O 3.44Å; I54-I175 HydrophobicContact CD1-CD1 4.46Å; I54-I175 HydrophobicContact CG1-CB 4.14Å; I54-I175 HydrophobicContact CG1-CD1 4.13Å; I54-I175 HydrophobicContact CG2-CB 4.44Å; I54-I175 HydrophobicContact CG2-CG2 4.47Å; V55-I175 PolarHBondContact N-O 3.5Å; M64-I175 HydrophobicContact CB-CD1 4.39Å; M64-I175 HydrophobicContact CE-CD1 4.09Å; M64-I175 HydrophobicContact CG-CG2 4.43Å; L68-I175 HydrophobicContact CD1-CD1 3.54Å; I175-F368 CarbonylContact C-O 3.57Å; I175-F368 WeakPolarHBondContact CA-O 3.45Å; I175-F368 HydrophobicContact CG1-CB 4.44Å; I175-L370 HydrophobicContact CG2-CD2 3.5Å; I175-L392 HydrophobicContact CD1-CD2 3.77Å; I175-L392 HydrophobicContact CG1-CD2 4.19Å; I175-L392 HydrophobicContact CG2-CD1 4.32Å; I175-L396 HydrophobicContact CD1-CD2 3.77Å; I175-L396 HydrophobicContact CG1-CD2 4.32Å
176	L	98.8	Very high	97.4	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	117.4	174.7	-61.2	175.3	0	0	0	110	V55 I154 L174 L178 L337 L343 V352 I367 F368 A369 L370 C373	V55-L176 HydrophobicContact CB-CD2 4.16Å; V55-L176 HydrophobicContact CG2-CD2 4.18Å; I154-L176 HydrophobicContact CD1-CD2 4.03Å; L174-L176 HydrophobicContact CD1-CD2 4.39Å; L174-L176 HydrophobicContact CD2-CD2 3.89Å; L174-L176 HydrophobicContact CD2-CG 4.2Å; L174-L176 HydrophobicContact CG-CD2 4.07Å; L174-L176 HydrophobicContact CG-CG 4.29Å; L176-L178 HydrophobicContact CD2-CD1 4.18Å; L176-L337 HydrophobicContact CD1-CD2 4.43Å; L176-L343 HydrophobicContact CD1-CD1 4.11Å; L176-V352 HydrophobicContact CB-CG2 4.28Å; L176-V352 HydrophobicContact CD1-CG1 4Å; L176-V352 HydrophobicContact CD1-CG2 3.73Å; L176-I367 HydrophobicContact CD1-CG2 4.28Å; L176-F368 PolarHBondContact N-O 2.8Å; L176-A369 HydrophobicContact CB-CB 3.98Å; L176-A369 VanDerWaalsContact O-CA 3.27Å; L176-A369 WeakPolarHBondContact O-CA 3.46Å; L176-L370 PolarHBondContact O-N 3.25Å; L176-L370 VanDerWaalsContact O-N 3.1Å; L176-C373 PolarHBondContact O-SG 3.43Å; L176-C373 VanDerWaalsContact O-SG 3.39Å
177	A	98.1	Very high	97.5	Very high	9 Å²	9	38.8 Å²	38.8	7%	0.074	20%	0.196	C	C	.	.			trans	-131.5	41	178.7	0	0	0	0	0	110.8	I54 V55 G179 L370	I54-A177 HydrophobicContact CG2-CB 4.5Å; V55-A177 CarbonylContact O-C 3.5Å; V55-A177 VanDerWaalsContact O-C 3.26Å; V55-A177 WeakPolarHBondContact O-CA 3.1Å; V55-A177 PolarHBondContact O-N 2.82Å; A177-G179 PolarHBondContact O-N 3.01Å; A177-G179 VanDerWaalsContact O-N 3.16Å; A177-L370 HydrophobicContact CB-CD2 3.9Å
178	L	96.8	Very high	97.7	Very high	38 Å²	38	40 Å²	40	20%	0.199	20%	0.201	C	C	.	.			trans	-71.9	-6.5	-167.1	-69	164.5	0	0	0	115.1	V55 I151 L176 P334 I336 L337 C373	V55-L178 HydrophobicContact CB-CD2 4.24Å; V55-L178 HydrophobicContact CG1-CD2 3.49Å; V55-L178 VanDerWaalsContact CG1-CD2 3.49Å; V55-L178 HydrophobicContact CG1-CG 4.39Å; I151-L178 HydrophobicContact CD1-CD2 4.46Å; L176-L178 HydrophobicContact CD2-CD1 4.18Å; L178-P334 HydrophobicContact CB-CB 4.33Å; L178-P334 HydrophobicContact CB-CG 3.85Å; L178-I336 HydrophobicContact CD1-CG2 3.75Å; L178-I336 HydrophobicContact CD2-CG2 4.18Å; L178-L337 HydrophobicContact CD1-CD1 4.2Å; L178-L337 HydrophobicContact CD1-CD2 3.66Å; L178-L337 HydrophobicContact CD1-CG 3.83Å; L178-C373 HydrophobicContact CB-CB 3.95Å; L178-C373 PolarHBondContact N-SG 2.92Å
179	G	95.4	Very high	97.7	Very high	23 Å²	23	38.1 Å²	38.1	24%	0.237	20%	0.203	C	C	.	.			trans	70.4	-143	-178.5	0	0	0	0	0	113	A177 D372 C373	A177-G179 PolarHBondContact O-N 3.01Å; A177-G179 VanDerWaalsContact O-N 3.16Å; G179-D372 CarbonylContact O-C 3.48Å; G179-C373 WeakPolarHBondContact O-CA 3.48Å; G179-C373 WeakPolarHBondContact O-CB 3.39Å; G179-C373 PolarHBondContact O-N 3.48Å
180	I	95.2	Very high	97.8	Very high	25 Å²	25	38.1 Å²	38.1	13%	0.128	20%	0.203	C	C	.	.			trans	-144.4	147.8	-177.9	-166.5	173.4	0	0	0	109.6	P232 K234 M331 C332 Y351 D372 K380	I180-P232 HydrophobicContact CD1-CB 4.18Å; I180-K234 HydrophobicContact CG2-CB 4.37Å; I180-K234 HydrophobicContact CG2-CD 4.42Å; I180-M331 HydrophobicContact CD1-CB 3.44Å; I180-M331 VanDerWaalsContact CD1-CB 3.44Å; I180-M331 HydrophobicContact CD1-CG 4.38Å; I180-M331 HydrophobicContact CD1-SD 4.17Å; I180-M331 HydrophobicContact CG1-CB 3.86Å; I180-M331 HydrophobicContact CG2-SD 4.41Å; I180-C332 WeakPolarHBondContact CG1-O 3.19Å; I180-Y351 WeakPolarHBondContact CD1-OH 3.14Å; I180-Y351 HydrophobicContact CG1-CE1 4.47Å; I180-Y351 WeakPolarHBondContact CG1-OH 3.4Å; I180-D372 HydrophobicContact CB-CB 3.95Å; I180-D372 HydrophobicContact CG2-CB 4.16Å; I180-K380 HydrophobicContact CD1-CD 3.98Å
181	T	95.9	Very high	97.7	Very high	51 Å²	51	40.5 Å²	40.5	31%	0.313	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	133.3	-178.9	-58.5	0	0	0	0	110.7	R183 M331 C332 P334	T181-R183 HydrophobicContact CG2-CG 4.49Å; T181-M331 CarbonylContact O-C 3.58Å; T181-M331 WeakPolarHBondContact O-CA 3.34Å; T181-M331 WeakPolarHBondContact O-CB 3.29Å; T181-C332 PolarHBondContact N-O 3.5Å; T181-C332 PolarHBondContact O-N 2.96Å; T181-P334 WeakPolarHBondContact OG1-CA 3.16Å
182	L	96.5	Very high	97.7	Very high	47 Å²	47	45.3 Å²	45.3	25%	0.246	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	135.5	172.3	-52.1	177.1	0	0	0	109.5	Y184 Y204 P329 M331	L182-Y184 HydrophobicContact CB-CD2 4.38Å; L182-Y184 HydrophobicContact CB-CE2 4.11Å; L182-Y184 HydrophobicContact CD1-CE2 4.16Å; L182-Y204 WeakPolarHBondContact CD1-O 3.35Å; L182-Y204 HydrophobicContact CD2-CD1 4.42Å; L182-P329 HydrophobicContact CB-CB 4.5Å; L182-P329 HydrophobicContact CB-CG 4.17Å; L182-P329 HydrophobicContact CD2-CG 4.01Å; L182-P329 HydrophobicContact CG-CG 4.48Å; L182-M331 HydrophobicContact CD2-CE 3.94Å; L182-M331 HydrophobicContact CD2-CG 4Å; L182-M331 HydrophobicContact CD2-SD 3.93Å
183	R	97.5	Very high	97.7	Very high	72 Å²	72	41.5 Å²	41.5	27%	0.272	22%	0.215	S	C	.	.			trans	-125.3	68	-175	-64.9	-62	-60.7	-95.2	8	111.3	T181 D185 K186 P330 C332	T181-R183 HydrophobicContact CG2-CG 4.49Å; R183-D185 VanDerWaalsContact C-OD1 3.31Å; R183-D185 WeakPolarHBondContact CA-OD1 3.44Å; R183-D185 WeakPolarHBondContact CB-OD1 3.47Å; R183-D185 WeakPolarHBondContact CD-OD1 3.25Å; R183-D185 IonicContact CZ-OD1 3.81Å; R183-D185 IonicContact CZ-OD2 3.94Å; R183-D185 VanDerWaalsContact CZ-OD2 3.31Å; R183-D185 IonicContact NE-OD1 2.93Å; R183-D185 PolarHBondContact NE-OD1 3.22Å; R183-D185 IonicContact NE-OD2 2.82Å; R183-D185 PolarHBondContact NE-OD2 3.22Å; R183-D185 VanDerWaalsContact NE-OD2 3.14Å; R183-D185 IonicContact NH2-OD1 2.78Å; R183-D185 IonicContact NH2-OD2 3Å; R183-D185 PolarHBondContact NH2-OD2 3.23Å; R183-D185 PolarHBondContact O-N 3.36Å; R183-K186 HydrophobicContact CB-CB 4.22Å; R183-K186 HydrophobicContact CB-CG 3.68Å; R183-K186 HydrophobicContact CG-CG 4.44Å; R183-K186 VanDerWaalsContact NH2-CE 3.35Å; R183-K186 WeakPolarHBondContact O-CB 3.4Å; R183-K186 PolarHBondContact O-N 3.05Å; R183-K186 VanDerWaalsContact O-N 3.17Å; R183-P330 WeakPolarHBondContact CA-O 3.34Å; R183-P330 HydrophobicContact CB-CB 4.39Å; R183-P330 WeakPolarHBondContact CB-O 3.46Å; R183-P330 PolarHBondContact N-O 3.28Å; R183-P330 WeakPolarHBondContact O-CD 3.25Å; R183-C332 HydrophobicContact CG-CB 4.29Å; R183-C332 WeakPolarHBondContact CG-SG 3.35Å
184	Y	97.9	Very high	97.7	Very high	17 Å²	17	39.5 Å²	39.5	7%	0.067	21%	0.208	C	C	.	.	G	3₁₀ helix	trans	-60	-34.6	173.4	-67.8	-79.8	0	0	0	111.5	L182 K186 V187 L194 S202 Y204 Y208 I327 P329	L182-Y184 HydrophobicContact CB-CD2 4.38Å; L182-Y184 HydrophobicContact CB-CE2 4.11Å; L182-Y184 HydrophobicContact CD1-CE2 4.16Å; Y184-K186 PolarHBondContact O-N 3.08Å; Y184-K186 VanDerWaalsContact O-N 3.08Å; Y184-V187 PolarHBondContact O-N 3.34Å; Y184-L194 HydrophobicContact CD1-CD1 3.26Å; Y184-L194 HydrophobicContact CE1-CD1 3.42Å; Y184-L194 VanDerWaalsContact CE1-CD1 3.42Å; Y184-L194 HydrophobicContact CG-CD1 4.08Å; Y184-S202 WeakPolarHBondContact OH-CB 3.23Å; Y184-S202 PolarHBondContact OH-OG 2.86Å; Y184-Y204 VanDerWaalsContact OH-CB 3.29Å; Y184-Y204 WeakPolarHBondContact OH-CB 3.32Å; Y184-Y208 HydrophobicContact CE2-CE2 4.41Å; Y184-I327 HydrophobicContact CD1-CG2 4.44Å; Y184-P329 HydrophobicContact CD1-CB 3.6Å; Y184-P329 HydrophobicContact CD1-CG 4.2Å; Y184-P329 HydrophobicContact CD2-CB 4.2Å; Y184-P329 HydrophobicContact CE1-CB 3.59Å; Y184-P329 HydrophobicContact CE1-CG 3.67Å; Y184-P329 HydrophobicContact CE2-CB 4.2Å; Y184-P329 HydrophobicContact CE2-CG 4.08Å; Y184-P329 HydrophobicContact CG-CB 3.91Å
185	D	97.6	Very high	97.6	Very high	76 Å²	76	45.3 Å²	45.3	41%	0.406	23%	0.233	S	C	.	.	G	3₁₀ helix	trans	-56.8	-19.2	174.4	68.7	-62.9	0	0	0	114.6	R183 V187	R183-D185 VanDerWaalsContact C-OD1 3.31Å; R183-D185 WeakPolarHBondContact CA-OD1 3.44Å; R183-D185 WeakPolarHBondContact CB-OD1 3.47Å; R183-D185 WeakPolarHBondContact CD-OD1 3.25Å; R183-D185 IonicContact CZ-OD1 3.81Å; R183-D185 IonicContact CZ-OD2 3.94Å; R183-D185 VanDerWaalsContact CZ-OD2 3.31Å; R183-D185 IonicContact NE-OD1 2.93Å; R183-D185 PolarHBondContact NE-OD1 3.22Å; R183-D185 IonicContact NE-OD2 2.82Å; R183-D185 PolarHBondContact NE-OD2 3.22Å; R183-D185 VanDerWaalsContact NE-OD2 3.14Å; R183-D185 IonicContact NH2-OD1 2.78Å; R183-D185 IonicContact NH2-OD2 3Å; R183-D185 PolarHBondContact NH2-OD2 3.23Å; R183-D185 PolarHBondContact O-N 3.36Å; D185-V187 PolarHBondContact O-N 2.94Å
186	K	97.5	Very high	97.6	Very high	130 Å²	130	50.4 Å²	50.4	57%	0.565	26%	0.26	S	S	*	.	G	3₁₀ helix	trans	-78.3	-7.5	176	-70.5	-74.3	-179.9	-174.7	0	113.7	R183 Y184 P330	R183-K186 HydrophobicContact CB-CB 4.22Å; R183-K186 HydrophobicContact CB-CG 3.68Å; R183-K186 HydrophobicContact CG-CG 4.44Å; R183-K186 VanDerWaalsContact NH2-CE 3.35Å; R183-K186 WeakPolarHBondContact O-CB 3.4Å; R183-K186 PolarHBondContact O-N 3.05Å; R183-K186 VanDerWaalsContact O-N 3.17Å; Y184-K186 PolarHBondContact O-N 3.08Å; Y184-K186 VanDerWaalsContact O-N 3.08Å; K186-P330 HydrophobicContact CB-CB 4.11Å; K186-P330 HydrophobicContact CB-CG 3.96Å
187	V	98.7	Very high	97.5	Very high	5 Å²	5	51 Å²	51	3%	0.03	26%	0.263	C	S	.	.	S	Bend	trans	-112.9	116.8	172.6	179.9	0	0	0	0	107.8	Y184 D185 G189 A190 L297 V300 P330	Y184-V187 PolarHBondContact O-N 3.34Å; D185-V187 PolarHBondContact O-N 2.94Å; V187-G189 PolarHBondContact O-N 3.3Å; V187-A190 HydrophobicContact CB-CB 3.67Å; V187-A190 HydrophobicContact CG1-CB 3.77Å; V187-A190 WeakPolarHBondContact O-CB 3.43Å; V187-A190 PolarHBondContact O-N 2.97Å; V187-A190 VanDerWaalsContact O-N 3.11Å; V187-L297 HydrophobicContact CG1-CD2 3.83Å; V187-L297 HydrophobicContact CG1-CG 3.81Å; V187-L297 HydrophobicContact CG2-CD2 4.45Å; V187-V300 HydrophobicContact CG1-CG2 4.08Å; V187-P330 HydrophobicContact CG2-CG 3.95Å
188	I	98.7	Very high	97.5	Very high	114 Å²	114	54.6 Å²	54.6	59%	0.585	29%	0.286	S	S	*	.	B	Isolated β-bridge	trans	-58.1	130.1	-176.8	-61.2	170.3	0	0	0	108.9	A190 V298 E299 V300	I188-A190 PolarHBondContact O-N 2.93Å; I188-V298 PolarHBondContact N-O 3.31Å; I188-E299 HydrophobicContact CB-CB 4.01Å; I188-E299 HydrophobicContact CB-CG 3.97Å; I188-E299 HydrophobicContact CG2-CG 4.03Å; I188-E299 CarbonylContact O-C 3.45Å; I188-E299 VanDerWaalsContact O-CA 3.31Å; I188-E299 WeakPolarHBondContact O-CA 3.5Å; I188-V300 PolarHBondContact O-N 2.91Å
189	G	98.6	Very high	97.6	Very high	35 Å²	35	56.2 Å²	56.2	36%	0.361	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	74.9	-6.2	179.3	0	0	0	0	0	116.3	V187 E191 E192 A193	V187-G189 PolarHBondContact O-N 3.3Å; G189-E191 PolarHBondContact O-N 2.92Å; G189-E192 PolarHBondContact O-N 2.91Å; G189-A193 WeakPolarHBondContact O-CB 3.46Å; G189-A193 PolarHBondContact O-N 3.18Å
190	A	98.6	Very high	97.7	Very high	0 Å²	0	55.1 Å²	55.1	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-65.1	-43.5	-174.2	0	0	0	0	0	114	V187 I188 A193 L194 I327	V187-A190 HydrophobicContact CB-CB 3.67Å; V187-A190 HydrophobicContact CG1-CB 3.77Å; V187-A190 WeakPolarHBondContact O-CB 3.43Å; V187-A190 PolarHBondContact O-N 2.97Å; V187-A190 VanDerWaalsContact O-N 3.11Å; I188-A190 PolarHBondContact O-N 2.93Å; A190-A193 PolarHBondContact O-N 3.39Å; A190-L194 VanDerWaalsContact O-CB 3.31Å; A190-L194 WeakPolarHBondContact O-CB 3.4Å; A190-L194 WeakPolarHBondContact O-CD1 3.48Å; A190-L194 VanDerWaalsContact O-CG 3.24Å; A190-L194 WeakPolarHBondContact O-CG 3.49Å; A190-L194 PolarHBondContact O-N 2.96Å; A190-I327 HydrophobicContact CB-CD1 3.86Å
191	E	98	Very high	97.9	Very high	82 Å²	82	53.9 Å²	53.9	38%	0.383	27%	0.272	S	S	.	.	H	α-helix	trans	-65.2	-40.6	-179.8	-68.2	-171	151.3	0	0	112.1	G189 L194 K195	G189-E191 PolarHBondContact O-N 2.92Å; E191-L194 PolarHBondContact O-N 3.47Å; E191-K195 VanDerWaalsContact O-CG 3.31Å; E191-K195 WeakPolarHBondContact O-CG 3.36Å; E191-K195 PolarHBondContact O-N 3.42Å; E191-K195 VanDerWaalsContact O-N 3.1Å
192	E	98	Very high	98	Very high	106 Å²	106	51.5 Å²	51.5	50%	0.495	26%	0.257	S	S	.	.	H	α-helix	trans	-66	-45.9	177.9	-175.7	61	-170.1	0	0	110.9	G189 L194 K195 N196	G189-E192 PolarHBondContact O-N 2.91Å; E192-L194 PolarHBondContact O-N 3.25Å; E192-K195 PolarHBondContact O-N 2.65Å; E192-N196 PolarHBondContact O-N 3.34Å; E192-N196 PolarHBondContact OE1-ND2 3.28Å
193	A	98.5	Very high	98.1	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-62.3	-42.6	175.5	0	0	0	0	0	112.2	G189 A190 K195 N196 D197 V200 V300	G189-A193 WeakPolarHBondContact O-CB 3.46Å; G189-A193 PolarHBondContact O-N 3.18Å; A190-A193 PolarHBondContact O-N 3.39Å; A193-K195 VanDerWaalsContact C-N 3.25Å; A193-K195 PolarHBondContact O-N 2.87Å; A193-N196 PolarHBondContact O-N 2.8Å; A193-D197 WeakPolarHBondContact O-CA 3.15Å; A193-D197 WeakPolarHBondContact O-CB 3.35Å; A193-D197 PolarHBondContact O-N 2.72Å; A193-V200 HydrophobicContact CB-CB 4.24Å; A193-V200 HydrophobicContact CB-CG1 4.06Å; A193-V200 HydrophobicContact CB-CG2 4.1Å; A193-V300 HydrophobicContact CB-CG1 3.73Å
194	L	98.4	Very high	98	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-63.5	-29.8	177	-79.6	165.1	0	0	0	113.1	Y184 A190 E191 E192 V200 Y208 K211 I327	Y184-L194 HydrophobicContact CD1-CD1 3.26Å; Y184-L194 HydrophobicContact CE1-CD1 3.42Å; Y184-L194 VanDerWaalsContact CE1-CD1 3.42Å; Y184-L194 HydrophobicContact CG-CD1 4.08Å; A190-L194 VanDerWaalsContact O-CB 3.31Å; A190-L194 WeakPolarHBondContact O-CB 3.4Å; A190-L194 WeakPolarHBondContact O-CD1 3.48Å; A190-L194 VanDerWaalsContact O-CG 3.24Å; A190-L194 WeakPolarHBondContact O-CG 3.49Å; A190-L194 PolarHBondContact O-N 2.96Å; E191-L194 PolarHBondContact O-N 3.47Å; E192-L194 PolarHBondContact O-N 3.25Å; L194-V200 HydrophobicContact CD2-CG1 4Å; L194-V200 HydrophobicContact CG-CG1 4.1Å; L194-Y208 HydrophobicContact CB-CD1 4.16Å; L194-Y208 HydrophobicContact CB-CD2 4.38Å; L194-Y208 HydrophobicContact CB-CE1 3.86Å; L194-Y208 HydrophobicContact CB-CE2 4.11Å; L194-Y208 HydrophobicContact CB-CG 4.42Å; L194-Y208 HydrophobicContact CD1-CD2 4.17Å; L194-Y208 HydrophobicContact CD1-CE2 3.98Å; L194-Y208 HydrophobicContact CD2-CD2 4.17Å; L194-Y208 HydrophobicContact CD2-CG 4.14Å; L194-Y208 HydrophobicContact CG-CD2 4.5Å; L194-Y208 HydrophobicContact CG-CE2 4.48Å; L194-K211 PolarHBondContact O-NZ 3.27Å; L194-I327 HydrophobicContact CD1-CD1 4.39Å; L194-I327 HydrophobicContact CG-CD1 4.25Å
195	K	97.1	Very high	97.9	Very high	122 Å²	122	46.6 Å²	46.6	53%	0.53	24%	0.238	S	C	.	.	H	α-helix	trans	-77	-49.5	174.7	-71.5	168.3	-173.7	170.4	0	111.1	E191 E192 A193	E191-K195 VanDerWaalsContact O-CG 3.31Å; E191-K195 WeakPolarHBondContact O-CG 3.36Å; E191-K195 PolarHBondContact O-N 3.42Å; E191-K195 VanDerWaalsContact O-N 3.1Å; E192-K195 PolarHBondContact O-N 2.65Å; A193-K195 VanDerWaalsContact C-N 3.25Å; A193-K195 PolarHBondContact O-N 2.87Å
196	N	97.4	Very high	97.7	Very high	107 Å²	107	45 Å²	45	57%	0.572	23%	0.232	S	C	*	.	H	α-helix	trans	-105.5	-24.1	-161.2	-63.6	-31.2	0	0	0	114.9	E192 A193	E192-N196 PolarHBondContact O-N 3.34Å; E192-N196 PolarHBondContact OE1-ND2 3.28Å; A193-N196 PolarHBondContact O-N 2.8Å
197	D	98.2	Very high	97.5	Very high	12 Å²	12	44.3 Å²	44.3	6%	0.064	23%	0.234	C	C	.	.			trans	-94.3	119.6	177.8	-166.8	-30.9	0	0	0	110.7	A193 R199 V200 K211	A193-D197 WeakPolarHBondContact O-CA 3.15Å; A193-D197 WeakPolarHBondContact O-CB 3.35Å; A193-D197 PolarHBondContact O-N 2.72Å; D197-R199 PolarHBondContact O-N 2.88Å; D197-R199 VanDerWaalsContact OD1-CB 3.23Å; D197-R199 WeakPolarHBondContact OD1-CB 3.31Å; D197-R199 WeakPolarHBondContact OD1-CG 3.4Å; D197-R199 IonicContact OD1-CZ 3.84Å; D197-R199 PolarHBondContact OD1-N 3.43Å; D197-R199 IonicContact OD1-NE 3.83Å; D197-R199 PolarHBondContact OD1-NE 3.42Å; D197-R199 IonicContact OD1-NH2 2.75Å; D197-R199 IonicContact OD2-CZ 2.76Å; D197-R199 IonicContact OD2-NE 2.79Å; D197-R199 PolarHBondContact OD2-NE 3.06Å; D197-R199 IonicContact OD2-NH2 3.63Å; D197-R199 PolarHBondContact OD2-NH2 3.45Å; D197-V200 HydrophobicContact CB-CB 4.22Å; D197-V200 HydrophobicContact CB-CG2 3.86Å; D197-V200 PolarHBondContact O-N 3.14Å; D197-K211 PolarHBondContact O-NZ 3.22Å
198	P	97.5	Very high	97.4	Very high	84 Å²	84	45.2 Å²	45.2	55%	0.545	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-15.2	177.5	28	-35.1	0	0	0	114
199	R	98.2	Very high	97.3	Very high	72 Å²	72	39.8 Å²	39.8	27%	0.272	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.4	-18.1	178.7	-56.3	169.6	-64.3	171	2.3	112.7	D197 S305 Y322 L325	D197-R199 PolarHBondContact O-N 2.88Å; D197-R199 VanDerWaalsContact OD1-CB 3.23Å; D197-R199 WeakPolarHBondContact OD1-CB 3.31Å; D197-R199 WeakPolarHBondContact OD1-CG 3.4Å; D197-R199 IonicContact OD1-CZ 3.84Å; D197-R199 PolarHBondContact OD1-N 3.43Å; D197-R199 IonicContact OD1-NE 3.83Å; D197-R199 PolarHBondContact OD1-NE 3.42Å; D197-R199 IonicContact OD1-NH2 2.75Å; D197-R199 IonicContact OD2-CZ 2.76Å; D197-R199 IonicContact OD2-NE 2.79Å; D197-R199 PolarHBondContact OD2-NE 3.06Å; D197-R199 IonicContact OD2-NH2 3.63Å; D197-R199 PolarHBondContact OD2-NH2 3.45Å; R199-S305 PolarHBondContact NH1-OG 2.92Å; R199-S305 PolarHBondContact NH2-OG 3.17Å; R199-Y322 HydrophobicContact CB-CE2 4.45Å; R199-L325 PolarHBondContact O-N 3.11Å
200	V	98.7	Very high	97.3	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	120	-178.5	-174.8	0	0	0	0	109.9	A193 L194 D197 K211 Y322 L325 I327	A193-V200 HydrophobicContact CB-CB 4.24Å; A193-V200 HydrophobicContact CB-CG1 4.06Å; A193-V200 HydrophobicContact CB-CG2 4.1Å; L194-V200 HydrophobicContact CD2-CG1 4Å; L194-V200 HydrophobicContact CG-CG1 4.1Å; D197-V200 HydrophobicContact CB-CB 4.22Å; D197-V200 HydrophobicContact CB-CG2 3.86Å; D197-V200 PolarHBondContact O-N 3.14Å; V200-K211 PolarHBondContact O-NZ 3.01Å; V200-Y322 HydrophobicContact CG2-CE2 3.57Å; V200-Y322 WeakPolarHBondContact CG2-OH 3.47Å; V200-L325 CarbonylContact C-O 3.52Å; V200-L325 WeakPolarHBondContact CA-O 3.17Å; V200-L325 HydrophobicContact CG1-CD2 4.22Å; V200-L325 HydrophobicContact CG1-CG 4.48Å; V200-L325 HydrophobicContact CG2-CB 4.26Å; V200-L325 HydrophobicContact CG2-CD2 4.3Å; V200-I327 HydrophobicContact CG1-CD1 3.53Å; V200-I327 HydrophobicContact CG1-CG1 4.04Å
201	C	98.2	Very high	97.2	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	162.7	-168.8	-62.9	0	0	0	0	112.6	T212 A215 F324 L325 H326 I327	C201-T212 WeakPolarHBondContact CB-OG1 3.49Å; C201-A215 VanDerWaalsContact SG-CB 3.54Å; C201-F324 HydrophobicContact CB-CE2 4.4Å; C201-L325 PolarHBondContact N-O 3.38Å; C201-H326 CarbonylContact O-C 3.59Å; C201-H326 WeakPolarHBondContact O-CA 3.36Å; C201-I327 PolarHBondContact O-N 2.68Å
202	S	98.4	Very high	97.2	Very high	0 Å²	0	41 Å²	41	0%	0	21%	0.205	C	C	.	.			trans	-154.6	128	173.2	-168.7	0	0	0	0	111.6	Y184 Y204 Y208 V209 I327	Y184-S202 WeakPolarHBondContact OH-CB 3.23Å; Y184-S202 PolarHBondContact OH-OG 2.86Å; S202-Y204 PolarHBondContact O-N 3.09Å; S202-Y208 CarbonylContact O-C 3.53Å; S202-Y208 WeakPolarHBondContact O-CB 3.37Å; S202-V209 WeakPolarHBondContact O-CA 3.38Å; S202-V209 PolarHBondContact O-N 2.87Å; S202-I327 WeakPolarHBondContact CB-O 3.44Å; S202-I327 PolarHBondContact OG-O 3.21Å
203	N	98.2	Very high	97.2	Very high	9 Å²	9	39.5 Å²	39.5	5%	0.048	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.4	23.6	175.9	-69.1	-13.9	0	0	0	113.6	W119 V209 T212 V242 H326	W119-N203 WeakPolarHBondContact CB-O 3.09Å; N203-V209 HydrophobicContact CB-CG2 4.42Å; N203-T212 VanDerWaalsContact OD1-CB 3.28Å; N203-T212 WeakPolarHBondContact OD1-CB 3.46Å; N203-T212 PolarHBondContact OD1-OG1 3.14Å; N203-V242 VanDerWaalsContact ND2-CG2 3.34Å; N203-V242 WeakPolarHBondContact ND2-CG2 3.47Å; N203-H326 PolarHBondContact N-NE2 2.87Å
204	Y	96.8	Very high	97.2	Very high	9 Å²	9	45.7 Å²	45.7	4%	0.035	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-113.9	-8	-172.1	-70.9	-95.6	0	0	0	113.6	W119 L182 Y184 S202 K234 A238 P239 H326 T328 P329 M331	W119-Y204 VanDerWaalsContact CZ3-O 3.26Å; W119-Y204 WeakPolarHBondContact CZ3-O 3.28Å; L182-Y204 WeakPolarHBondContact CD1-O 3.35Å; L182-Y204 HydrophobicContact CD2-CD1 4.42Å; Y184-Y204 VanDerWaalsContact OH-CB 3.29Å; Y184-Y204 WeakPolarHBondContact OH-CB 3.32Å; S202-Y204 PolarHBondContact O-N 3.09Å; Y204-K234 HydrophobicContact CD1-CD 4.44Å; Y204-K234 HydrophobicContact CD1-CG 4.37Å; Y204-K234 HydrophobicContact CE1-CG 4.01Å; Y204-A238 WeakPolarHBondContact OH-CB 3.42Å; Y204-P239 WeakPolarHBondContact OH-CD 3.29Å; Y204-P239 WeakPolarHBondContact OH-CG 3.47Å; Y204-H326 AromaticContact CE2-CE1 3.97Å; Y204-T328 HydrophobicContact CE1-CG2 4.29Å; Y204-T328 HydrophobicContact CE2-CG2 3.75Å; Y204-T328 WeakPolarHBondContact OH-CG2 3.37Å; Y204-P329 HydrophobicContact CG-CG 4.21Å; Y204-M331 HydrophobicContact CD1-CE 3.57Å; Y204-M331 HydrophobicContact CE1-CE 3.37Å
205	S	94.9	Very high	97.2	Very high	16 Å²	16	46 Å²	46	11%	0.112	23%	0.225	C	C	.	.	S	Bend	trans	-132.6	145.9	174.8	179.6	0	0	0	0	110.2	D207 Y208 V209	S205-D207 PolarHBondContact O-N 2.65Å; S205-D207 PolarHBondContact OG-N 2.94Å; S205-D207 VanDerWaalsContact OG-N 3.15Å; S205-D207 PolarHBondContact OG-OD2 3.33Å; S205-D207 VanDerWaalsContact OG-OD2 3.1Å; S205-Y208 PolarHBondContact O-N 2.84Å; S205-V209 WeakPolarHBondContact O-CB 3.31Å; S205-V209 WeakPolarHBondContact O-CG1 3.48Å; S205-V209 PolarHBondContact O-N 2.88Å
206	T	93.7	Very high	97.2	Very high	43 Å²	43	40.2 Å²	40.2	26%	0.264	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59	-27.9	169.8	45.5	0	0	0	0	112.4	Y114 W119 Y208	Y114-T206 HydrophobicContact CD1-CG2 4.05Å; Y114-T206 HydrophobicContact CE1-CG2 3.53Å; Y114-T206 HydrophobicContact CE2-CG2 4.15Å; W119-T206 HydrophobicContact CH2-CG2 4.09Å; W119-T206 HydrophobicContact CZ2-CG2 3.63Å; T206-Y208 VanDerWaalsContact C-N 3.25Å; T206-Y208 PolarHBondContact O-N 3.44Å
207	D	92.9	Very high	97.1	Very high	114 Å²	114	39.1 Å²	39.1	61%	0.61	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.5	-24.4	-178.6	-49.7	-32.1	0	0	0	112.3	S205	S205-D207 PolarHBondContact O-N 2.65Å; S205-D207 PolarHBondContact OG-N 2.94Å; S205-D207 VanDerWaalsContact OG-N 3.15Å; S205-D207 PolarHBondContact OG-OD2 3.33Å; S205-D207 VanDerWaalsContact OG-OD2 3.1Å
208	Y	96	Very high	97	Very high	25 Å²	25	44.4 Å²	44.4	10%	0.098	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-122.1	-21	-170	-49	-47.3	0	0	0	113.8	Y184 L194 S202 S205 T206 E210 K211	Y184-Y208 HydrophobicContact CE2-CE2 4.41Å; L194-Y208 HydrophobicContact CB-CD1 4.16Å; L194-Y208 HydrophobicContact CB-CD2 4.38Å; L194-Y208 HydrophobicContact CB-CE1 3.86Å; L194-Y208 HydrophobicContact CB-CE2 4.11Å; L194-Y208 HydrophobicContact CB-CG 4.42Å; L194-Y208 HydrophobicContact CD1-CD2 4.17Å; L194-Y208 HydrophobicContact CD1-CE2 3.98Å; L194-Y208 HydrophobicContact CD2-CD2 4.17Å; L194-Y208 HydrophobicContact CD2-CG 4.14Å; L194-Y208 HydrophobicContact CG-CD2 4.5Å; L194-Y208 HydrophobicContact CG-CE2 4.48Å; S202-Y208 CarbonylContact O-C 3.53Å; S202-Y208 WeakPolarHBondContact O-CB 3.37Å; S205-Y208 PolarHBondContact O-N 2.84Å; T206-Y208 VanDerWaalsContact C-N 3.25Å; T206-Y208 PolarHBondContact O-N 3.44Å; Y208-E210 VanDerWaalsContact C-N 3.32Å; Y208-E210 PolarHBondContact O-N 2.94Å; Y208-K211 HydrophobicContact CD1-CD 4.36Å; Y208-K211 VanDerWaalsContact O-CB 3.23Å; Y208-K211 WeakPolarHBondContact O-CB 3.33Å; Y208-K211 PolarHBondContact O-N 3.12Å
209	V	97.7	Very high	97	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-59.1	-39	-171.2	61.7	0	0	0	0	113.3	W119 V122 G123 L129 S202 N203 S205 K211 T212	W119-V209 HydrophobicContact CB-CG2 3.76Å; W119-V209 HydrophobicContact CG-CG2 4.17Å; W119-V209 WeakPolarHBondContact O-CG2 3.49Å; V122-V209 HydrophobicContact CB-CG2 3.94Å; V122-V209 HydrophobicContact CG1-CG1 4.43Å; V122-V209 HydrophobicContact CG1-CG2 3.9Å; G123-V209 WeakPolarHBondContact CA-O 3.3Å; L129-V209 HydrophobicContact CD1-CG1 3.75Å; L129-V209 HydrophobicContact CD2-CG1 4.22Å; S202-V209 WeakPolarHBondContact O-CA 3.38Å; S202-V209 PolarHBondContact O-N 2.87Å; N203-V209 HydrophobicContact CB-CG2 4.42Å; S205-V209 WeakPolarHBondContact O-CB 3.31Å; S205-V209 WeakPolarHBondContact O-CG1 3.48Å; S205-V209 PolarHBondContact O-N 2.88Å; V209-K211 VanDerWaalsContact C-N 3.3Å; V209-K211 PolarHBondContact O-N 2.93Å; V209-T212 PolarHBondContact O-N 2.83Å; V209-T212 PolarHBondContact O-OG1 2.84Å
210	E	97.3	Very high	96.9	Very high	100 Å²	100	44 Å²	44	47%	0.467	22%	0.218	S	C	.	.	H	α-helix	trans	-76.3	-17.5	178.5	-64.1	-170.7	130.8	0	0	112.9	V122 L129 Y208 T212	V122-E210 HydrophobicContact CG1-CG 4.22Å; L129-E210 HydrophobicContact CB-CG 4.15Å; L129-E210 WeakPolarHBondContact CB-OE1 3.5Å; L129-E210 HydrophobicContact CD2-CG 4.16Å; Y208-E210 VanDerWaalsContact C-N 3.32Å; Y208-E210 PolarHBondContact O-N 2.94Å; E210-T212 VanDerWaalsContact C-N 3.26Å; E210-T212 PolarHBondContact O-N 3.03Å
211	K	97.3	Very high	96.8	Very high	42 Å²	42	44.8 Å²	44.8	18%	0.183	23%	0.225	C	C	.	.	H	α-helix	trans	-64.2	-34.6	172.2	-64.6	-177.1	56.1	174.7	0	111.2	L194 D197 V200 Y208 V209 Y213 K214 A215	L194-K211 PolarHBondContact O-NZ 3.27Å; D197-K211 PolarHBondContact O-NZ 3.22Å; V200-K211 PolarHBondContact O-NZ 3.01Å; Y208-K211 HydrophobicContact CD1-CD 4.36Å; Y208-K211 VanDerWaalsContact O-CB 3.23Å; Y208-K211 WeakPolarHBondContact O-CB 3.33Å; Y208-K211 PolarHBondContact O-N 3.12Å; V209-K211 VanDerWaalsContact C-N 3.3Å; V209-K211 PolarHBondContact O-N 2.93Å; K211-Y213 VanDerWaalsContact C-N 3.33Å; K211-Y213 PolarHBondContact O-N 2.99Å; K211-K214 PolarHBondContact O-N 3.17Å; K211-A215 WeakPolarHBondContact O-CB 3.38Å; K211-A215 PolarHBondContact O-N 2.87Å
212	T	98.5	Very high	96.7	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-56.3	-45.9	-176.5	-54.1	0	0	0	0	112.1	G123 C201 N203 V209 E210 A215 Y216 V242 F324	G123-T212 CarbonylContact O-C 3.56Å; G123-T212 WeakPolarHBondContact O-CB 3.47Å; G123-T212 VanDerWaalsContact O-CG2 3.24Å; G123-T212 WeakPolarHBondContact O-CG2 3.32Å; C201-T212 WeakPolarHBondContact CB-OG1 3.49Å; N203-T212 VanDerWaalsContact OD1-CB 3.28Å; N203-T212 WeakPolarHBondContact OD1-CB 3.46Å; N203-T212 PolarHBondContact OD1-OG1 3.14Å; V209-T212 PolarHBondContact O-N 2.83Å; V209-T212 PolarHBondContact O-OG1 2.84Å; E210-T212 VanDerWaalsContact C-N 3.26Å; E210-T212 PolarHBondContact O-N 3.03Å; T212-A215 PolarHBondContact O-N 3.04Å; T212-Y216 HydrophobicContact CG2-CD1 4.24Å; T212-Y216 HydrophobicContact CG2-CE1 3.59Å; T212-Y216 WeakPolarHBondContact O-CD1 3.23Å; T212-Y216 PolarHBondContact O-N 3.27Å; T212-V242 HydrophobicContact CG2-CG2 3.87Å; T212-F324 HydrophobicContact CG2-CZ 4.37Å
213	Y	98.1	Very high	96.7	Very high	75 Å²	75	47.9 Å²	47.9	29%	0.294	25%	0.249	S	C	.	.	H	α-helix	trans	-70.4	-39.4	-178.9	-174.8	-127.3	0	0	0	112	G123 K211 A215 Y216 Q217 Y249	G123-Y213 WeakPolarHBondContact O-CA 3.41Å; G123-Y213 PolarHBondContact O-N 3.48Å; G123-Y213 VanDerWaalsContact O-N 3.09Å; K211-Y213 VanDerWaalsContact C-N 3.33Å; K211-Y213 PolarHBondContact O-N 2.99Å; Y213-A215 VanDerWaalsContact C-N 3.27Å; Y213-A215 PolarHBondContact O-N 3.5Å; Y213-Y216 HydrophobicContact CD2-CD2 4.41Å; Y213-Y216 WeakPolarHBondContact O-CB 3.36Å; Y213-Y216 PolarHBondContact O-N 3.3Å; Y213-Y216 VanDerWaalsContact O-N 3.16Å; Y213-Q217 HydrophobicContact CE1-CG 4.44Å; Y213-Q217 HydrophobicContact CE2-CG 4.4Å; Y213-Q217 WeakPolarHBondContact O-CG 3.45Å; Y213-Q217 PolarHBondContact O-N 3.23Å; Y213-Y249 HydrophobicContact CE2-CD2 4.29Å; Y213-Y249 AromaticContact CE2-CE2 3.79Å; Y213-Y249 HydrophobicContact CE2-CE2 3.79Å
214	K	97.8	Very high	96.7	Very high	130 Å²	130	47.4 Å²	47.4	57%	0.565	25%	0.247	S	C	*	.	H	α-helix	trans	-60	-40.1	172.9	-65.8	177.8	-179.8	175.8	0	111.3	K211 Q217 N218	K211-K214 PolarHBondContact O-N 3.17Å; K214-Q217 WeakPolarHBondContact O-CB 3.25Å; K214-Q217 PolarHBondContact O-N 3.25Å; K214-N218 WeakPolarHBondContact O-CB 3.44Å; K214-N218 VanDerWaalsContact O-CG 3.31Å; K214-N218 PolarHBondContact O-N 2.84Å; K214-N218 PolarHBondContact O-ND2 2.89Å
215	A	97.7	Very high	96.8	Very high	7 Å²	7	47 Å²	47	6%	0.058	25%	0.245	C	C	.	.	H	α-helix	trans	-66.5	-36	176.7	0	0	0	0	0	112.2	C201 K211 T212 Y213 Q217 N218 F219 F324	C201-A215 VanDerWaalsContact SG-CB 3.54Å; K211-A215 WeakPolarHBondContact O-CB 3.38Å; K211-A215 PolarHBondContact O-N 2.87Å; T212-A215 PolarHBondContact O-N 3.04Å; Y213-A215 VanDerWaalsContact C-N 3.27Å; Y213-A215 PolarHBondContact O-N 3.5Å; A215-Q217 VanDerWaalsContact C-N 3.32Å; A215-Q217 PolarHBondContact O-N 2.84Å; A215-N218 PolarHBondContact O-N 2.64Å; A215-F219 WeakPolarHBondContact O-CB 3.48Å; A215-F219 PolarHBondContact O-N 2.81Å; A215-F324 HydrophobicContact CB-CD2 3.76Å; A215-F324 HydrophobicContact CB-CE2 3.65Å
216	Y	96.8	Very high	97	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-61.1	-43.3	170.2	-69.4	13	0	0	0	111.3	A124 T212 Y213 N218 F219 V242 F246 Y249 M250 K255 F324	A124-Y216 HydrophobicContact CB-CE2 4.34Å; T212-Y216 HydrophobicContact CG2-CD1 4.24Å; T212-Y216 HydrophobicContact CG2-CE1 3.59Å; T212-Y216 WeakPolarHBondContact O-CD1 3.23Å; T212-Y216 PolarHBondContact O-N 3.27Å; Y213-Y216 HydrophobicContact CD2-CD2 4.41Å; Y213-Y216 WeakPolarHBondContact O-CB 3.36Å; Y213-Y216 PolarHBondContact O-N 3.3Å; Y213-Y216 VanDerWaalsContact O-N 3.16Å; Y216-N218 VanDerWaalsContact C-N 3.31Å; Y216-N218 PolarHBondContact O-N 3.38Å; Y216-F219 PolarHBondContact O-N 3.36Å; Y216-V242 WeakPolarHBondContact OH-CG2 3.16Å; Y216-V242 PolarHBondContact OH-O 2.91Å; Y216-F246 AromaticContact CD1-CD2 3.49Å; Y216-F246 HydrophobicContact CD1-CD2 3.49Å; Y216-F246 VanDerWaalsContact CD1-CD2 3.49Å; Y216-F246 HydrophobicContact CD1-CE2 4.19Å; Y216-F246 HydrophobicContact CD1-CG 4.49Å; Y216-F246 HydrophobicContact CD2-CD2 4.39Å; Y216-F246 HydrophobicContact CE1-CB 3.86Å; Y216-F246 AromaticContact CE1-CD2 3.55Å; Y216-F246 HydrophobicContact CE1-CD2 3.55Å; Y216-F246 HydrophobicContact CE1-CG 4.17Å; Y216-F246 HydrophobicContact CE2-CB 4.06Å; Y216-F246 HydrophobicContact CE2-CD2 4.46Å; Y216-F246 AromaticContact CG-CD2 3.93Å; Y216-F246 HydrophobicContact CG-CD2 3.93Å; Y216-F246 PolarHBondContact OH-N 3.42Å; Y216-Y249 HydrophobicContact CD2-CD1 4.32Å; Y216-Y249 HydrophobicContact CD2-CD2 4.4Å; Y216-Y249 HydrophobicContact CD2-CG 4.03Å; Y216-Y249 WeakPolarHBondContact O-CE1 3.32Å; Y216-M250 WeakPolarHBondContact O-CE 3.38Å; Y216-K255 PolarHBondContact O-NZ 2.72Å; Y216-F324 HydrophobicContact CD1-CE2 4.04Å; Y216-F324 HydrophobicContact CD1-CZ 4.16Å; Y216-F324 HydrophobicContact CE1-CE1 4.36Å; Y216-F324 HydrophobicContact CE1-CE2 4.06Å; Y216-F324 AromaticContact CE1-CZ 3.7Å; Y216-F324 HydrophobicContact CE1-CZ 3.7Å
217	Q	96.3	Very high	97.3	Very high	84 Å²	84	44.2 Å²	44.2	39%	0.393	23%	0.227	S	C	.	.	H	α-helix	trans	-66.5	-32.2	178.7	-68.8	175.1	-47.2	0	0	112.6	Y213 K214 A215 Y249 K255	Y213-Q217 HydrophobicContact CE1-CG 4.44Å; Y213-Q217 HydrophobicContact CE2-CG 4.4Å; Y213-Q217 WeakPolarHBondContact O-CG 3.45Å; Y213-Q217 PolarHBondContact O-N 3.23Å; K214-Q217 WeakPolarHBondContact O-CB 3.25Å; K214-Q217 PolarHBondContact O-N 3.25Å; A215-Q217 VanDerWaalsContact C-N 3.32Å; A215-Q217 PolarHBondContact O-N 2.84Å; Q217-Y249 WeakPolarHBondContact CG-OH 3.27Å; Q217-K255 PolarHBondContact O-NZ 2.88Å
218	N	96.4	Very high	97.5	Very high	123 Å²	123	39.2 Å²	39.2	66%	0.658	20%	0.2	S	C	*	.	H	α-helix	trans	-93.1	-11.2	-179.3	-66.4	-17.9	0	0	0	113.8	K214 A215 Y216 N220	K214-N218 WeakPolarHBondContact O-CB 3.44Å; K214-N218 VanDerWaalsContact O-CG 3.31Å; K214-N218 PolarHBondContact O-N 2.84Å; K214-N218 PolarHBondContact O-ND2 2.89Å; A215-N218 PolarHBondContact O-N 2.64Å; Y216-N218 VanDerWaalsContact C-N 3.31Å; Y216-N218 PolarHBondContact O-N 3.38Å; N218-N220 PolarHBondContact O-N 2.98Å
219	F	97.6	Very high	97.6	Very high	7 Å²	7	38.4 Å²	38.4	3%	0.031	20%	0.198	C	C	.	.			trans	-59.1	127.1	178.3	-174	-99.5	0	0	0	111.1	A215 Y216 G221 A224 F246 M250 K255 I257 A259 D323 F324	A215-F219 WeakPolarHBondContact O-CB 3.48Å; A215-F219 PolarHBondContact O-N 2.81Å; Y216-F219 PolarHBondContact O-N 3.36Å; F219-G221 VanDerWaalsContact CZ-C 3.4Å; F219-G221 WeakPolarHBondContact CZ-O 3.12Å; F219-A224 HydrophobicContact CE2-CB 4.22Å; F219-A224 HydrophobicContact CZ-CB 4.27Å; F219-F246 HydrophobicContact CB-CE2 4.28Å; F219-F246 HydrophobicContact CD1-CE2 4.26Å; F219-F246 AromaticContact CD1-CZ 3.76Å; F219-F246 HydrophobicContact CD1-CZ 3.76Å; F219-F246 HydrophobicContact CD2-CE2 4.35Å; F219-F246 HydrophobicContact CD2-CZ 4.07Å; F219-F246 AromaticContact CE1-CZ 3.84Å; F219-F246 HydrophobicContact CE1-CZ 3.84Å; F219-F246 HydrophobicContact CE2-CZ 4.11Å; F219-F246 HydrophobicContact CG-CE2 4.03Å; F219-F246 AromaticContact CG-CZ 3.87Å; F219-F246 HydrophobicContact CG-CZ 3.87Å; F219-F246 HydrophobicContact CZ-CZ 4Å; F219-M250 HydrophobicContact CB-CE 3.91Å; F219-M250 HydrophobicContact CD1-CE 3.92Å; F219-M250 HydrophobicContact CD1-SD 3.89Å; F219-M250 HydrophobicContact CG-CE 4.21Å; F219-K255 PolarHBondContact O-NZ 3.39Å; F219-K255 VanDerWaalsContact O-NZ 3.07Å; F219-I257 HydrophobicContact CD1-CG2 4.32Å; F219-I257 HydrophobicContact CE1-CG2 4.14Å; F219-A259 HydrophobicContact CE1-CB 3.64Å; F219-A259 HydrophobicContact CZ-CB 3.96Å; F219-D323 HydrophobicContact CD2-CB 4.44Å; F219-D323 HydrophobicContact CE2-CB 3.79Å; F219-F324 HydrophobicContact CD2-CB 3.67Å; F219-F324 HydrophobicContact CE2-CB 3.84Å
220	N	95.2	Very high	97.5	Very high	141 Å²	141	40.1 Å²	40.1	75%	0.754	21%	0.213	S	C	*	.			trans	-121.9	15.4	-174.8	-156.7	35.7	0	0	0	114.4	N218 I257	N218-N220 PolarHBondContact O-N 2.98Å; N220-I257 WeakPolarHBondContact OD1-CD1 3.46Å
221	G	96	Very high	97.3	Very high	16 Å²	16	38.1 Å²	38.1	17%	0.165	22%	0.219	C	C	.	.	S	Bend	trans	118.3	171.9	177.8	0	0	0	0	0	112.9	F219 I257 D323	F219-G221 VanDerWaalsContact CZ-C 3.4Å; F219-G221 WeakPolarHBondContact CZ-O 3.12Å; G221-I257 VanDerWaalsContact N-CG2 3.27Å; G221-D323 WeakPolarHBondContact O-CB 3.49Å
222	G	97.2	Very high	97.1	Very high	31 Å²	31	37.6 Å²	37.6	32%	0.32	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	93.9	-148.2	179.9	0	0	0	0	0	113.6	N260 D323	G222-N260 PolarHBondContact O-N 3.37Å; G222-D323 VanDerWaalsContact CA-OD2 3.24Å; G222-D323 WeakPolarHBondContact CA-OD2 3.42Å
223	N	98.7	Very high	96.8	Very high	33 Å²	33	38.6 Å²	38.6	18%	0.176	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	119.7	-171.2	-69.9	-30.8	0	0	0	111.6	V225 N260 H262 K321 D323 F324	N223-V225 HydrophobicContact CB-CG2 4.38Å; N223-N260 WeakPolarHBondContact CA-O 3.47Å; N223-N260 WeakPolarHBondContact OD1-CB 3.33Å; N223-N260 PolarHBondContact OD1-ND2 2.83Å; N223-H262 PolarHBondContact OD1-NE2 2.76Å; N223-K321 WeakPolarHBondContact CB-O 3.25Å; N223-K321 PolarHBondContact ND2-O 3.39Å; N223-D323 PolarHBondContact N-OD2 3.38Å; N223-D323 PolarHBondContact O-N 2.83Å; N223-F324 PolarHBondContact O-N 2.87Å; N223-F324 VanDerWaalsContact O-N 3.11Å
224	A	98.7	Very high	96.4	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	111.4	170.3	0	0	0	0	0	109.6	F219 F226 F246 N260 I261 H262 F324	F219-A224 HydrophobicContact CE2-CB 4.22Å; F219-A224 HydrophobicContact CZ-CB 4.27Å; A224-F226 HydrophobicContact CB-CE2 3.93Å; A224-F246 HydrophobicContact CB-CD1 3.99Å; A224-F246 HydrophobicContact CB-CE1 3.22Å; A224-F246 HydrophobicContact CB-CE2 4.43Å; A224-F246 HydrophobicContact CB-CZ 3.48Å; A224-F246 VanDerWaalsContact CB-CZ 3.48Å; A224-N260 PolarHBondContact N-O 2.94Å; A224-I261 HydrophobicContact CB-CG1 4.48Å; A224-I261 WeakPolarHBondContact O-CA 3.39Å; A224-H262 PolarHBondContact O-N 3.24Å; A224-F324 HydrophobicContact CB-CB 4.28Å; A224-F324 HydrophobicContact CB-CD1 4.1Å
225	V	98.9	Very high	96	Very high	0 Å²	0	31 Å²	31	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	128.8	-169.5	-176.3	0	0	0	0	110.2	N223 T227 H262 F264 F309 I320 F324 L325 H326	N223-V225 HydrophobicContact CB-CG2 4.38Å; V225-T227 HydrophobicContact CG1-CG2 4.36Å; V225-H262 WeakPolarHBondContact CA-O 3.31Å; V225-F264 HydrophobicContact CG1-CD2 3.91Å; V225-F264 HydrophobicContact CG1-CE2 4.23Å; V225-F309 HydrophobicContact CG1-CE2 4.15Å; V225-F309 HydrophobicContact CG1-CZ 3.7Å; V225-I320 HydrophobicContact CG2-CD1 4.29Å; V225-I320 HydrophobicContact CG2-CG2 4.17Å; V225-F324 PolarHBondContact N-O 3.46Å; V225-L325 HydrophobicContact CB-CD1 3.81Å; V225-L325 HydrophobicContact CG1-CD1 3.68Å; V225-L325 CarbonylContact O-C 3.59Å; V225-L325 WeakPolarHBondContact O-CA 3.32Å; V225-H326 PolarHBondContact O-N 2.74Å
226	F	98.9	Very high	95.5	Very high	0 Å²	0	32 Å²	32	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	138.7	179.5	-61	-92.4	0	0	0	109.3	A224 V242 M243 F246 I261 H262 Y263 F264 F324 H326	A224-F226 HydrophobicContact CB-CE2 3.93Å; F226-V242 HydrophobicContact CD1-CG1 3.92Å; F226-V242 HydrophobicContact CE1-CG1 4.32Å; F226-V242 HydrophobicContact CE1-CG2 4.14Å; F226-M243 HydrophobicContact CB-CB 4.08Å; F226-M243 HydrophobicContact CB-CG 4.45Å; F226-M243 HydrophobicContact CD1-CB 3.74Å; F226-M243 HydrophobicContact CD2-CB 3.86Å; F226-M243 HydrophobicContact CD2-CG 3.72Å; F226-M243 VanDerWaalsContact CE1-CA 3.47Å; F226-M243 HydrophobicContact CE1-CB 4.12Å; F226-M243 HydrophobicContact CE2-CB 4.26Å; F226-M243 HydrophobicContact CE2-CG 4.09Å; F226-M243 HydrophobicContact CG-CB 3.6Å; F226-M243 HydrophobicContact CG-CG 3.97Å; F226-M243 HydrophobicContact CZ-CB 4.39Å; F226-F246 HydrophobicContact CE1-CB 4.06Å; F226-F246 HydrophobicContact CE2-CB 4.38Å; F226-F246 AromaticContact CE2-CD1 3.95Å; F226-F246 HydrophobicContact CE2-CD1 3.95Å; F226-F246 HydrophobicContact CE2-CG 4.28Å; F226-F246 HydrophobicContact CZ-CB 3.45Å; F226-F246 VanDerWaalsContact CZ-CB 3.45Å; F226-F246 AromaticContact CZ-CD1 3.7Å; F226-F246 HydrophobicContact CZ-CD1 3.7Å; F226-F246 HydrophobicContact CZ-CD2 4.3Å; F226-F246 AromaticContact CZ-CG 3.56Å; F226-F246 HydrophobicContact CZ-CG 3.56Å; F226-I261 HydrophobicContact CD2-CG2 4.07Å; F226-I261 HydrophobicContact CE2-CG2 3.93Å; F226-H262 PolarHBondContact N-O 2.99Å; F226-Y263 HydrophobicContact CB-CD2 3.89Å; F226-F264 PolarHBondContact O-N 2.99Å; F226-F324 HydrophobicContact CD1-CE1 4.18Å; F226-F324 HydrophobicContact CE1-CD1 4.27Å; F226-F324 AromaticContact CE1-CE1 3.4Å; F226-F324 HydrophobicContact CE1-CE1 3.4Å; F226-F324 HydrophobicContact CE1-CZ 4.2Å; F226-F324 HydrophobicContact CE2-CD1 4.33Å; F226-F324 HydrophobicContact CE2-CE1 4.23Å; F226-F324 AromaticContact CZ-CD1 3.85Å; F226-F324 HydrophobicContact CZ-CD1 3.85Å; F226-F324 AromaticContact CZ-CE1 3.4Å; F226-F324 HydrophobicContact CZ-CE1 3.4Å; F226-F324 VanDerWaalsContact CZ-CE1 3.4Å; F226-F324 HydrophobicContact CZ-CZ 4.44Å; F226-H326 HydrophobicContact CD1-CB 3.71Å; F226-H326 HydrophobicContact CE1-CB 4.09Å
227	T	98.8	Very high	95.4	Very high	1 Å²	1	32 Å²	32	1%	0.006	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	145.8	-171.4	71.3	0	0	0	0	113.6	V225 P239 F264 L297 F309 L325 H326 T328	V225-T227 HydrophobicContact CG1-CG2 4.36Å; T227-P239 WeakPolarHBondContact O-CB 3.36Å; T227-F264 CarbonylContact C-O 3.46Å; T227-F264 VanDerWaalsContact CA-O 3.29Å; T227-F264 WeakPolarHBondContact CA-O 3.43Å; T227-L297 HydrophobicContact CG2-CB 4.28Å; T227-L297 HydrophobicContact CG2-CD2 4.11Å; T227-F309 HydrophobicContact CG2-CE1 3.66Å; T227-F309 HydrophobicContact CG2-CZ 3.77Å; T227-L325 HydrophobicContact CG2-CD1 4.09Å; T227-H326 PolarHBondContact N-O 3.48Å; T227-H326 PolarHBondContact OG1-O 3.16Å; T227-T328 WeakPolarHBondContact O-CB 3.47Å; T227-T328 PolarHBondContact O-OG1 2.53Å; T227-T328 PolarHBondContact OG1-N 3.32Å; T227-T328 VanDerWaalsContact OG1-N 3.09Å
228	L	98.3	Very high	95.3	Very high	8 Å²	8	28.5 Å²	28.5	4%	0.042	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	112.7	166.8	165.5	51.8	0	0	0	108.4	I233 P239 Y263 F264 T265 A266	L228-I233 HydrophobicContact CD1-CD1 3.28Å; L228-I233 HydrophobicContact CD1-CG2 4.41Å; L228-P239 HydrophobicContact CB-CB 4.24Å; L228-P239 HydrophobicContact CB-CG 4.22Å; L228-P239 HydrophobicContact CD1-CG 4.19Å; L228-Y263 WeakPolarHBondContact CB-OH 3.5Å; L228-Y263 VanDerWaalsContact CD2-OH 3.31Å; L228-Y263 WeakPolarHBondContact CD2-OH 3.26Å; L228-F264 PolarHBondContact N-O 3.35Å; L228-T265 VanDerWaalsContact CD2-OG1 3.24Å; L228-T265 WeakPolarHBondContact CD2-OG1 3.5Å; L228-T265 WeakPolarHBondContact CG-OG1 3.45Å; L228-T265 WeakPolarHBondContact O-CA 3.37Å; L228-A266 PolarHBondContact O-N 3.06Å
229	P	97.9	Very high	95.4	Very high	8 Å²	8	22.6 Å²	22.6	5%	0.052	16%	0.158	C	C	.	.			trans	-75.7	167.9	-175.8	33.3	-39.4	0	0	0	112.4	N296 T328 P330	P229-N296 VanDerWaalsContact CA-OD1 3.27Å; P229-N296 WeakPolarHBondContact CA-OD1 3.33Å; P229-T328 WeakPolarHBondContact CD-O 3.46Å; P229-T328 HydrophobicContact CG-CG2 3.99Å; P229-P330 HydrophobicContact CB-CB 4.46Å; P229-P330 HydrophobicContact CB-CG 4.07Å
230	A	95.7	Very high	95.4	Very high	37 Å²	37	22.3 Å²	22.3	31%	0.306	16%	0.156	S	C	.	.	S	Bend	trans	-69.7	154	169.9	0	0	0	0	0	112.1	A266 N296 M312	A230-A266 HydrophobicContact CB-CB 3.73Å; A230-A266 VanDerWaalsContact N-CB 3.26Å; A230-N296 PolarHBondContact N-OD1 3.18Å; A230-M312 HydrophobicContact CB-CE 3.66Å; A230-M312 HydrophobicContact CB-SD 4.28Å
231	G	92.9	Very high	95.6	Very high	57 Å²	57	16 Å²	16	59%	0.588	12%	0.122	S	C	*	.	S	Bend	trans	89.4	-162.8	171.4	0	0	0	0	0	114.8
232	P	92.1	Very high	95.7	Very high	31 Å²	31	15.2 Å²	15.2	20%	0.201	11%	0.114	C	C	.	.			trans	-60.9	139.7	-178.7	-22	33.4	0	0	0	112.1	I180 M331 C349 Y351	I180-P232 HydrophobicContact CD1-CB 4.18Å; P232-M331 WeakPolarHBondContact O-CB 3.27Å; P232-C349 HydrophobicContact CG-CB 4.23Å; P232-Y351 HydrophobicContact CB-CE2 3.84Å; P232-Y351 WeakPolarHBondContact CB-OH 3.19Å; P232-Y351 HydrophobicContact CG-CE2 3.68Å
233	I	92.9	Very high	95.8	Very high	21 Å²	21	13.7 Å²	13.7	11%	0.108	10%	0.099	C	C	.	.			trans	-143.7	139.2	178.4	-176.2	165.5	0	0	0	112.1	L228 C235 A236 P239 T328 M331	L228-I233 HydrophobicContact CD1-CD1 3.28Å; L228-I233 HydrophobicContact CD1-CG2 4.41Å; I233-C235 PolarHBondContact O-N 2.75Å; I233-A236 HydrophobicContact CG2-CB 3.92Å; I233-P239 HydrophobicContact CD1-CG 4.03Å; I233-T328 HydrophobicContact CD1-CG2 3.56Å; I233-M331 HydrophobicContact CB-SD 4.47Å; I233-M331 HydrophobicContact CD1-CE 4.27Å; I233-M331 HydrophobicContact CG1-CE 3.73Å; I233-M331 HydrophobicContact CG1-SD 4.07Å
234	K	90.2	Very high	95.8	Very high	24 Å²	24	12.1 Å²	12.1	10%	0.104	9%	0.091	C	C	.	.	B	Isolated β-bridge	trans	-71.4	114.2	164.2	70.5	-175.6	174.4	-177	0	109.9	I180 Y204 M331	I180-K234 HydrophobicContact CG2-CB 4.37Å; I180-K234 HydrophobicContact CG2-CD 4.42Å; Y204-K234 HydrophobicContact CD1-CD 4.44Å; Y204-K234 HydrophobicContact CD1-CG 4.37Å; Y204-K234 HydrophobicContact CE1-CG 4.01Å; K234-M331 HydrophobicContact CB-SD 4.28Å; K234-M331 HydrophobicContact CG-CE 3.99Å; K234-M331 HydrophobicContact CG-SD 3.84Å; K234-M331 PolarHBondContact N-SD 3.48Å; K234-M331 VanDerWaalsContact N-SD 3.35Å
235	C	89.8	Confident	95.7	Very high	22 Å²	22	12.1 Å²	12.1	15%	0.149	9%	0.091	C	C	.	.			trans	50.7	90.5	-179.5	-170.5	0	0	0	0	114.5	I233 G237 A238 K380 T381 C416	I233-C235 PolarHBondContact O-N 2.75Å; C235-G237 PolarHBondContact O-N 3.35Å; C235-A238 HydrophobicContact CB-CB 4.33Å; C235-A238 WeakPolarHBondContact O-CB 3.4Å; C235-A238 PolarHBondContact O-N 3.49Å; C235-K380 PolarHBondContact N-O 3.21Å; C235-T381 HydrophobicContact CB-CG2 4.22Å; C235-C416 PolarHBondContact SG-SG 3.4Å
236	A	87.2	Confident	95.7	Very high	27 Å²	27	12.1 Å²	12.1	22%	0.223	9%	0.091	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-16.5	179.1	0	0	0	0	0	115.2	I233 P239	I233-A236 HydrophobicContact CG2-CB 3.92Å; A236-P239 WeakPolarHBondContact O-CD 3.06Å
237	G	93.4	Very high	95.7	Very high	0 Å²	0	12.5 Å²	12.5	0%	0	9%	0.092	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.2	-13.3	172.9	0	0	0	0	0	114.5	C235 Q240 K241	C235-G237 PolarHBondContact O-N 3.35Å; G237-Q240 PolarHBondContact O-N 2.65Å; G237-K241 WeakPolarHBondContact O-CE 3.24Å; G237-K241 WeakPolarHBondContact O-CG 3.37Å; G237-K241 PolarHBondContact O-N 2.99Å
238	A	95.9	Very high	95.6	Very high	11 Å²	11	12.7 Å²	12.7	9%	0.091	9%	0.093	C	C	.	.	H	α-helix	trans	-61.8	-40.5	-179.1	0	0	0	0	0	114.1	T120 Y204 C235 Q240 K241 V242	T120-A238 HydrophobicContact CG2-CB 4Å; Y204-A238 WeakPolarHBondContact OH-CB 3.42Å; C235-A238 HydrophobicContact CB-CB 4.33Å; C235-A238 WeakPolarHBondContact O-CB 3.4Å; C235-A238 PolarHBondContact O-N 3.49Å; A238-Q240 VanDerWaalsContact C-N 3.26Å; A238-Q240 PolarHBondContact O-N 3.47Å; A238-K241 WeakPolarHBondContact O-CB 3.31Å; A238-K241 PolarHBondContact O-N 3Å; A238-V242 PolarHBondContact O-N 3.14Å
239	P	97.5	Very high	95.5	Very high	0 Å²	0	13.9 Å²	13.9	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-62.8	-32.5	174.3	-23.4	35.4	0	0	0	113.4	Y204 T227 L228 I233 A236 V242 M243 Y263 T328	Y204-P239 WeakPolarHBondContact OH-CD 3.29Å; Y204-P239 WeakPolarHBondContact OH-CG 3.47Å; T227-P239 WeakPolarHBondContact O-CB 3.36Å; L228-P239 HydrophobicContact CB-CB 4.24Å; L228-P239 HydrophobicContact CB-CG 4.22Å; L228-P239 HydrophobicContact CD1-CG 4.19Å; I233-P239 HydrophobicContact CD1-CG 4.03Å; A236-P239 WeakPolarHBondContact O-CD 3.06Å; P239-V242 WeakPolarHBondContact O-CG1 3.37Å; P239-M243 PolarHBondContact O-N 3.41Å; P239-Y263 HydrophobicContact CB-CE2 4Å; P239-T328 HydrophobicContact CG-CG2 3.93Å; P239-T328 WeakPolarHBondContact CG-OG1 3.4Å
240	Q	97.8	Very high	95.4	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-73.1	-37.7	175.2	-63.7	-177.7	58.5	0	0	112	G237 A238 V242 M243 Y244 Y263 L270	G237-Q240 PolarHBondContact O-N 2.65Å; A238-Q240 VanDerWaalsContact C-N 3.26Å; A238-Q240 PolarHBondContact O-N 3.47Å; Q240-V242 VanDerWaalsContact C-N 3.32Å; Q240-V242 PolarHBondContact O-N 3.02Å; Q240-M243 WeakPolarHBondContact O-CB 3.5Å; Q240-M243 PolarHBondContact O-N 3.4Å; Q240-M243 VanDerWaalsContact O-N 3.12Å; Q240-Y244 HydrophobicContact CB-CD2 4.09Å; Q240-Y244 HydrophobicContact CB-CE2 3.62Å; Q240-Y244 WeakPolarHBondContact O-CD2 3.46Å; Q240-Y244 PolarHBondContact O-N 2.77Å; Q240-Y244 PolarHBondContact OE1-OH 3.33Å; Q240-Y244 VanDerWaalsContact OE1-OH 3.1Å; Q240-Y263 HydrophobicContact CG-CE1 4.15Å; Q240-Y263 HydrophobicContact CG-CE2 3.94Å; Q240-Y263 WeakPolarHBondContact CG-OH 3.4Å; Q240-L270 PolarHBondContact NE2-O 3.4Å
241	K	98.5	Very high	95.3	Very high	8 Å²	8	19 Å²	19	4%	0.035	11%	0.113	C	C	.	.	H	α-helix	trans	-56.2	-47.8	179	-71.1	171.6	-135.8	-169.9	0	111.3	T120 G237 A238 M243 Y244 L245 P417 I418 V419	T120-K241 HydrophobicContact CG2-CB 4.37Å; T120-K241 HydrophobicContact CG2-CD 4.2Å; G237-K241 WeakPolarHBondContact O-CE 3.24Å; G237-K241 WeakPolarHBondContact O-CG 3.37Å; G237-K241 PolarHBondContact O-N 2.99Å; A238-K241 WeakPolarHBondContact O-CB 3.31Å; A238-K241 PolarHBondContact O-N 3Å; K241-M243 VanDerWaalsContact C-N 3.32Å; K241-M243 PolarHBondContact O-N 3.16Å; K241-Y244 PolarHBondContact O-N 2.72Å; K241-L245 VanDerWaalsContact O-CB 3.3Å; K241-L245 WeakPolarHBondContact O-CB 3.46Å; K241-L245 WeakPolarHBondContact O-CD1 3.44Å; K241-L245 WeakPolarHBondContact O-CG 3.44Å; K241-L245 PolarHBondContact O-N 3.49Å; K241-P417 WeakPolarHBondContact CE-O 3.45Å; K241-P417 PolarHBondContact NZ-O 3.23Å; K241-I418 HydrophobicContact CG-CB 4.46Å; K241-I418 HydrophobicContact CG-CG2 4Å; K241-V419 HydrophobicContact CB-CG2 3.92Å; K241-V419 HydrophobicContact CD-CG2 4.11Å; K241-V419 HydrophobicContact CG-CG2 3.81Å
242	V	98.5	Very high	95.4	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-65.6	-35.9	179	62.3	0	0	0	0	111.7	N203 T212 Y216 F226 A238 P239 Q240 F246	N203-V242 VanDerWaalsContact ND2-CG2 3.34Å; N203-V242 WeakPolarHBondContact ND2-CG2 3.47Å; T212-V242 HydrophobicContact CG2-CG2 3.87Å; Y216-V242 WeakPolarHBondContact OH-CG2 3.16Å; Y216-V242 PolarHBondContact OH-O 2.91Å; F226-V242 HydrophobicContact CD1-CG1 3.92Å; F226-V242 HydrophobicContact CE1-CG1 4.32Å; F226-V242 HydrophobicContact CE1-CG2 4.14Å; A238-V242 PolarHBondContact O-N 3.14Å; P239-V242 WeakPolarHBondContact O-CG1 3.37Å; Q240-V242 VanDerWaalsContact C-N 3.32Å; Q240-V242 PolarHBondContact O-N 3.02Å; V242-F246 WeakPolarHBondContact O-CB 3.5Å; V242-F246 PolarHBondContact O-N 3.11Å
243	M	98.6	Very high	95.3	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-64.4	-50.6	173.5	176.9	-161.9	69.4	0	0	112.5	F226 P239 Q240 K241 L245 F246 E247 I261 Y263 I289	F226-M243 HydrophobicContact CB-CB 4.08Å; F226-M243 HydrophobicContact CB-CG 4.45Å; F226-M243 HydrophobicContact CD1-CB 3.74Å; F226-M243 HydrophobicContact CD2-CB 3.86Å; F226-M243 HydrophobicContact CD2-CG 3.72Å; F226-M243 VanDerWaalsContact CE1-CA 3.47Å; F226-M243 HydrophobicContact CE1-CB 4.12Å; F226-M243 HydrophobicContact CE2-CB 4.26Å; F226-M243 HydrophobicContact CE2-CG 4.09Å; F226-M243 HydrophobicContact CG-CB 3.6Å; F226-M243 HydrophobicContact CG-CG 3.97Å; F226-M243 HydrophobicContact CZ-CB 4.39Å; P239-M243 PolarHBondContact O-N 3.41Å; Q240-M243 WeakPolarHBondContact O-CB 3.5Å; Q240-M243 PolarHBondContact O-N 3.4Å; Q240-M243 VanDerWaalsContact O-N 3.12Å; K241-M243 VanDerWaalsContact C-N 3.32Å; K241-M243 PolarHBondContact O-N 3.16Å; M243-L245 VanDerWaalsContact C-N 3.31Å; M243-L245 PolarHBondContact O-N 2.97Å; M243-F246 WeakPolarHBondContact O-CB 3.18Å; M243-F246 PolarHBondContact O-N 3.08Å; M243-E247 PolarHBondContact O-N 3.2Å; M243-I261 HydrophobicContact CG-CG2 3.83Å; M243-I261 HydrophobicContact SD-CG2 4.44Å; M243-Y263 WeakPolarHBondContact SD-CB 3.4Å; M243-Y263 HydrophobicContact SD-CD2 3.63Å; M243-Y263 HydrophobicContact SD-CG 3.74Å; M243-I289 HydrophobicContact CE-CD1 3.89Å; M243-I289 HydrophobicContact CE-CG2 4.13Å; M243-I289 HydrophobicContact CG-CD1 4.44Å; M243-I289 HydrophobicContact CG-CG2 4.49Å; M243-I289 HydrophobicContact SD-CD1 4.18Å; M243-I289 HydrophobicContact SD-CG2 3.45Å; M243-I289 WeakPolarHBondContact SD-CG2 3.28Å
244	Y	98.7	Very high	95	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-65.3	-35.6	-179.6	-64.1	-54.6	0	0	0	112.4	Q240 K241 E247 D248 L280 I283 C284 I289 I418 T420	Q240-Y244 HydrophobicContact CB-CD2 4.09Å; Q240-Y244 HydrophobicContact CB-CE2 3.62Å; Q240-Y244 WeakPolarHBondContact O-CD2 3.46Å; Q240-Y244 PolarHBondContact O-N 2.77Å; Q240-Y244 PolarHBondContact OE1-OH 3.33Å; Q240-Y244 VanDerWaalsContact OE1-OH 3.1Å; K241-Y244 PolarHBondContact O-N 2.72Å; Y244-E247 PolarHBondContact O-N 2.85Å; Y244-D248 WeakPolarHBondContact O-CB 3.09Å; Y244-D248 PolarHBondContact O-N 2.95Å; Y244-L280 HydrophobicContact CE2-CD2 3.82Å; Y244-L280 WeakPolarHBondContact OH-CD2 3.06Å; Y244-I283 HydrophobicContact CD1-CG2 4.21Å; Y244-I283 HydrophobicContact CE1-CG2 3.71Å; Y244-C284 PolarHBondContact OH-SG 3.04Å; Y244-C284 VanDerWaalsContact OH-SG 3.36Å; Y244-I289 HydrophobicContact CD1-CD1 4.01Å; Y244-I289 HydrophobicContact CE1-CD1 4.07Å; Y244-I418 HydrophobicContact CD2-CG2 4.09Å; Y244-I418 HydrophobicContact CE2-CG2 3.97Å; Y244-T420 HydrophobicContact CD2-CG2 3.8Å; Y244-T420 HydrophobicContact CE2-CG2 4Å; Y244-T420 HydrophobicContact CG-CG2 4.23Å
245	L	98.6	Very high	94.8	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-69.6	-37.1	175.3	-70.3	170.8	0	0	0	111.5	T120 A124 I126 K241 M243 Y249 V419 Y422	T120-L245 WeakPolarHBondContact O-CD1 3.36Å; A124-L245 HydrophobicContact CB-CB 3.86Å; A124-L245 HydrophobicContact CB-CD1 3.53Å; A124-L245 HydrophobicContact CB-CD2 4.48Å; A124-L245 HydrophobicContact CB-CG 4.16Å; I126-L245 HydrophobicContact CD1-CD1 4.36Å; I126-L245 HydrophobicContact CD1-CD2 3.82Å; K241-L245 VanDerWaalsContact O-CB 3.3Å; K241-L245 WeakPolarHBondContact O-CB 3.46Å; K241-L245 WeakPolarHBondContact O-CD1 3.44Å; K241-L245 WeakPolarHBondContact O-CG 3.44Å; K241-L245 PolarHBondContact O-N 3.49Å; M243-L245 VanDerWaalsContact C-N 3.31Å; M243-L245 PolarHBondContact O-N 2.97Å; L245-Y249 WeakPolarHBondContact O-CB 3.29Å; L245-Y249 PolarHBondContact O-N 3.15Å; L245-V419 HydrophobicContact CD1-CG2 3.76Å; L245-V419 HydrophobicContact CD2-CB 4.48Å; L245-V419 HydrophobicContact CD2-CG2 4.32Å; L245-V419 HydrophobicContact CG-CG2 4.15Å; L245-Y422 HydrophobicContact CD2-CD2 4.26Å; L245-Y422 HydrophobicContact CD2-CE2 4.23Å; L245-Y422 VanDerWaalsContact O-CE2 3.27Å; L245-Y422 WeakPolarHBondContact O-CE2 3.47Å
246	F	98.3	Very high	94.6	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-61.7	-48.4	170.9	175.7	-98	0	0	0	111.8	Y216 F219 A224 F226 V242 M243 D248 Y249 M250 A259 I261 F324	Y216-F246 AromaticContact CD1-CD2 3.49Å; Y216-F246 HydrophobicContact CD1-CD2 3.49Å; Y216-F246 VanDerWaalsContact CD1-CD2 3.49Å; Y216-F246 HydrophobicContact CD1-CE2 4.19Å; Y216-F246 HydrophobicContact CD1-CG 4.49Å; Y216-F246 HydrophobicContact CD2-CD2 4.39Å; Y216-F246 HydrophobicContact CE1-CB 3.86Å; Y216-F246 AromaticContact CE1-CD2 3.55Å; Y216-F246 HydrophobicContact CE1-CD2 3.55Å; Y216-F246 HydrophobicContact CE1-CG 4.17Å; Y216-F246 HydrophobicContact CE2-CB 4.06Å; Y216-F246 HydrophobicContact CE2-CD2 4.46Å; Y216-F246 AromaticContact CG-CD2 3.93Å; Y216-F246 HydrophobicContact CG-CD2 3.93Å; Y216-F246 PolarHBondContact OH-N 3.42Å; F219-F246 HydrophobicContact CB-CE2 4.28Å; F219-F246 HydrophobicContact CD1-CE2 4.26Å; F219-F246 AromaticContact CD1-CZ 3.76Å; F219-F246 HydrophobicContact CD1-CZ 3.76Å; F219-F246 HydrophobicContact CD2-CE2 4.35Å; F219-F246 HydrophobicContact CD2-CZ 4.07Å; F219-F246 AromaticContact CE1-CZ 3.84Å; F219-F246 HydrophobicContact CE1-CZ 3.84Å; F219-F246 HydrophobicContact CE2-CZ 4.11Å; F219-F246 HydrophobicContact CG-CE2 4.03Å; F219-F246 AromaticContact CG-CZ 3.87Å; F219-F246 HydrophobicContact CG-CZ 3.87Å; F219-F246 HydrophobicContact CZ-CZ 4Å; A224-F246 HydrophobicContact CB-CD1 3.99Å; A224-F246 HydrophobicContact CB-CE1 3.22Å; A224-F246 HydrophobicContact CB-CE2 4.43Å; A224-F246 HydrophobicContact CB-CZ 3.48Å; A224-F246 VanDerWaalsContact CB-CZ 3.48Å; F226-F246 HydrophobicContact CE1-CB 4.06Å; F226-F246 HydrophobicContact CE2-CB 4.38Å; F226-F246 AromaticContact CE2-CD1 3.95Å; F226-F246 HydrophobicContact CE2-CD1 3.95Å; F226-F246 HydrophobicContact CE2-CG 4.28Å; F226-F246 HydrophobicContact CZ-CB 3.45Å; F226-F246 VanDerWaalsContact CZ-CB 3.45Å; F226-F246 AromaticContact CZ-CD1 3.7Å; F226-F246 HydrophobicContact CZ-CD1 3.7Å; F226-F246 HydrophobicContact CZ-CD2 4.3Å; F226-F246 AromaticContact CZ-CG 3.56Å; F226-F246 HydrophobicContact CZ-CG 3.56Å; V242-F246 WeakPolarHBondContact O-CB 3.5Å; V242-F246 PolarHBondContact O-N 3.11Å; M243-F246 WeakPolarHBondContact O-CB 3.18Å; M243-F246 PolarHBondContact O-N 3.08Å; F246-D248 PolarHBondContact O-N 3.37Å; F246-Y249 WeakPolarHBondContact O-CB 3.35Å; F246-Y249 PolarHBondContact O-N 3.28Å; F246-M250 HydrophobicContact CD1-CG 4.36Å; F246-M250 HydrophobicContact CD2-CE 3.84Å; F246-M250 HydrophobicContact CE1-CG 3.94Å; F246-M250 HydrophobicContact CE2-CE 3.29Å; F246-M250 HydrophobicContact CE2-CG 4.25Å; F246-M250 HydrophobicContact CE2-SD 4.44Å; F246-M250 HydrophobicContact CZ-CE 3.73Å; F246-M250 HydrophobicContact CZ-CG 3.9Å; F246-M250 HydrophobicContact CZ-SD 4.34Å; F246-M250 WeakPolarHBondContact O-CG 3.14Å; F246-M250 PolarHBondContact O-N 3.1Å; F246-A259 HydrophobicContact CE1-CB 3.81Å; F246-A259 HydrophobicContact CZ-CB 4.22Å; F246-I261 HydrophobicContact CD1-CD1 3.98Å; F246-I261 HydrophobicContact CD1-CG1 4.29Å; F246-I261 HydrophobicContact CE1-CD1 4.19Å; F246-I261 HydrophobicContact CE1-CG1 4.14Å; F246-F324 HydrophobicContact CE2-CD1 4.46Å; F246-F324 HydrophobicContact CE2-CG 4.44Å
247	E	97.4	Very high	94.5	Very high	7 Å²	7	36.4 Å²	36.4	3%	0.033	18%	0.181	C	C	.	.	H	α-helix	trans	-57.1	-48.7	179.1	-177	-89.4	158.5	0	0	111.9	M243 Y244 Y249 M250 K251 I261 R287 I289 R424	M243-E247 PolarHBondContact O-N 3.2Å; Y244-E247 PolarHBondContact O-N 2.85Å; E247-Y249 VanDerWaalsContact C-N 3.35Å; E247-M250 PolarHBondContact O-N 3.47Å; E247-K251 PolarHBondContact O-N 3.47Å; E247-K251 VanDerWaalsContact OE1-CD 3.26Å; E247-K251 WeakPolarHBondContact OE1-CD 3.24Å; E247-K251 WeakPolarHBondContact OE1-CE 3.3Å; E247-K251 IonicContact OE1-NZ 2.63Å; E247-K251 PolarHBondContact OE1-NZ 2.98Å; E247-I261 HydrophobicContact CB-CD1 3.54Å; E247-I261 HydrophobicContact CG-CD1 3.68Å; E247-R287 HydrophobicContact CG-CB 4.46Å; E247-R287 WeakPolarHBondContact OE2-CD 3.21Å; E247-R287 IonicContact OE2-CZ 3.81Å; E247-R287 IonicContact OE2-NE 3.86Å; E247-R287 IonicContact OE2-NH1 2.7Å; E247-R287 PolarHBondContact OE2-NH1 3.38Å; E247-I289 HydrophobicContact CG-CD1 4.31Å; E247-R424 IonicContact OE2-NH2 3.93Å
248	D	97.2	Very high	94.3	Very high	5 Å²	5	43.7 Å²	43.7	3%	0.027	22%	0.219	C	C	.	.	H	α-helix	trans	-70.5	-32.3	179.2	-163.6	49.8	0	0	0	112	Y244 F246 K251 R252 G421 Y422 R424	Y244-D248 WeakPolarHBondContact O-CB 3.09Å; Y244-D248 PolarHBondContact O-N 2.95Å; F246-D248 PolarHBondContact O-N 3.37Å; D248-K251 PolarHBondContact O-N 3.22Å; D248-R252 WeakPolarHBondContact O-CB 3.48Å; D248-R252 WeakPolarHBondContact O-CD 3.33Å; D248-R252 VanDerWaalsContact O-CG 3.25Å; D248-R252 WeakPolarHBondContact O-CG 3.31Å; D248-R252 PolarHBondContact O-N 2.95Å; D248-R252 VanDerWaalsContact O-N 3.08Å; D248-R252 IonicContact OD1-NE 3.52Å; D248-R252 IonicContact OD2-CZ 3.66Å; D248-R252 IonicContact OD2-NE 2.83Å; D248-R252 PolarHBondContact OD2-NE 3.03Å; D248-R252 IonicContact OD2-NH2 3.6Å; D248-G421 WeakPolarHBondContact OD2-CA 3.14Å; D248-Y422 HydrophobicContact CB-CD2 4.07Å; D248-Y422 HydrophobicContact CB-CE2 4.49Å; D248-Y422 WeakPolarHBondContact OD2-CD2 3.28Å; D248-Y422 PolarHBondContact OD2-N 2.88Å; D248-R424 VanDerWaalsContact CG-NH1 3.33Å; D248-R424 VanDerWaalsContact CG-NH2 3.31Å; D248-R424 IonicContact OD1-CZ 3.21Å; D248-R424 IonicContact OD1-NH1 2.82Å; D248-R424 PolarHBondContact OD1-NH1 2.65Å; D248-R424 IonicContact OD1-NH2 2.71Å; D248-R424 PolarHBondContact OD1-NH2 3.18Å; D248-R424 IonicContact OD2-CZ 3.98Å; D248-R424 IonicContact OD2-NH1 3.33Å; D248-R424 PolarHBondContact OD2-NH1 3.07Å; D248-R424 IonicContact OD2-NH2 3.99Å
249	Y	97	Very high	94.3	Very high	34 Å²	34	44.2 Å²	44.2	13%	0.133	22%	0.223	C	C	.	.	H	α-helix	trans	-60.8	-47.4	172.7	177.8	-89.5	0	0	0	110.5	Y213 Y216 Q217 L245 F246 E247 K251 R252 S253 Y422	Y213-Y249 HydrophobicContact CE2-CD2 4.29Å; Y213-Y249 AromaticContact CE2-CE2 3.79Å; Y213-Y249 HydrophobicContact CE2-CE2 3.79Å; Y216-Y249 HydrophobicContact CD2-CD1 4.32Å; Y216-Y249 HydrophobicContact CD2-CD2 4.4Å; Y216-Y249 HydrophobicContact CD2-CG 4.03Å; Y216-Y249 WeakPolarHBondContact O-CE1 3.32Å; Q217-Y249 WeakPolarHBondContact CG-OH 3.27Å; L245-Y249 WeakPolarHBondContact O-CB 3.29Å; L245-Y249 PolarHBondContact O-N 3.15Å; F246-Y249 WeakPolarHBondContact O-CB 3.35Å; F246-Y249 PolarHBondContact O-N 3.28Å; E247-Y249 VanDerWaalsContact C-N 3.35Å; Y249-K251 VanDerWaalsContact C-N 3.32Å; Y249-K251 PolarHBondContact O-N 3.32Å; Y249-R252 CarbonylContact O-C 3.59Å; Y249-R252 PolarHBondContact O-N 3.23Å; Y249-R252 VanDerWaalsContact O-N 3.09Å; Y249-S253 VanDerWaalsContact O-CB 3.28Å; Y249-S253 WeakPolarHBondContact O-CB 3.4Å; Y249-S253 PolarHBondContact O-N 3.19Å; Y249-Y422 WeakPolarHBondContact CD2-OH 3.44Å
250	M	95.7	Very high	94.3	Very high	19 Å²	19	47.5 Å²	47.5	9%	0.094	24%	0.241	C	C	.	.	H	α-helix	trans	-59.6	-43.9	-179.6	-70.4	-55.7	141.1	0	0	111.6	Y216 F219 F246 E247 R252 S253 A259	Y216-M250 WeakPolarHBondContact O-CE 3.38Å; F219-M250 HydrophobicContact CB-CE 3.91Å; F219-M250 HydrophobicContact CD1-CE 3.92Å; F219-M250 HydrophobicContact CD1-SD 3.89Å; F219-M250 HydrophobicContact CG-CE 4.21Å; F246-M250 HydrophobicContact CD1-CG 4.36Å; F246-M250 HydrophobicContact CD2-CE 3.84Å; F246-M250 HydrophobicContact CE1-CG 3.94Å; F246-M250 HydrophobicContact CE2-CE 3.29Å; F246-M250 HydrophobicContact CE2-CG 4.25Å; F246-M250 HydrophobicContact CE2-SD 4.44Å; F246-M250 HydrophobicContact CZ-CE 3.73Å; F246-M250 HydrophobicContact CZ-CG 3.9Å; F246-M250 HydrophobicContact CZ-SD 4.34Å; F246-M250 WeakPolarHBondContact O-CG 3.14Å; F246-M250 PolarHBondContact O-N 3.1Å; E247-M250 PolarHBondContact O-N 3.47Å; M250-R252 VanDerWaalsContact C-N 3.3Å; M250-R252 PolarHBondContact O-N 3.46Å; M250-S253 PolarHBondContact O-N 2.85Å; M250-S253 PolarHBondContact O-OG 2.86Å; M250-A259 HydrophobicContact CG-CB 4.41Å
251	K	93.8	Very high	94.3	Very high	133 Å²	133	47.9 Å²	47.9	58%	0.578	24%	0.243	S	C	*	.	H	α-helix	trans	-60.6	-36.7	175	-75.7	-177.6	171	167.4	0	113.5	E247 D248 Y249	E247-K251 PolarHBondContact O-N 3.47Å; E247-K251 VanDerWaalsContact OE1-CD 3.26Å; E247-K251 WeakPolarHBondContact OE1-CD 3.24Å; E247-K251 WeakPolarHBondContact OE1-CE 3.3Å; E247-K251 IonicContact OE1-NZ 2.63Å; E247-K251 PolarHBondContact OE1-NZ 2.98Å; D248-K251 PolarHBondContact O-N 3.22Å; Y249-K251 VanDerWaalsContact C-N 3.32Å; Y249-K251 PolarHBondContact O-N 3.32Å
252	R	93.5	Very high	94.4	Very high	127 Å²	127	48.5 Å²	48.5	48%	0.479	25%	0.246	S	C	.	.	H	α-helix	trans	-86.5	-23.1	-177.5	-69.6	170.8	178.4	-83.3	-1.8	114	D248 Y249 M250 G254 N423	D248-R252 WeakPolarHBondContact O-CB 3.48Å; D248-R252 WeakPolarHBondContact O-CD 3.33Å; D248-R252 VanDerWaalsContact O-CG 3.25Å; D248-R252 WeakPolarHBondContact O-CG 3.31Å; D248-R252 PolarHBondContact O-N 2.95Å; D248-R252 VanDerWaalsContact O-N 3.08Å; D248-R252 IonicContact OD1-NE 3.52Å; D248-R252 IonicContact OD2-CZ 3.66Å; D248-R252 IonicContact OD2-NE 2.83Å; D248-R252 PolarHBondContact OD2-NE 3.03Å; D248-R252 IonicContact OD2-NH2 3.6Å; Y249-R252 CarbonylContact O-C 3.59Å; Y249-R252 PolarHBondContact O-N 3.23Å; Y249-R252 VanDerWaalsContact O-N 3.09Å; M250-R252 VanDerWaalsContact C-N 3.3Å; M250-R252 PolarHBondContact O-N 3.46Å; R252-G254 PolarHBondContact O-N 2.88Å; R252-G254 VanDerWaalsContact O-N 3.14Å; R252-N423 PolarHBondContact NH2-ND2 2.81Å; R252-N423 PolarHBondContact NH2-OD1 2.73Å
253	S	90.5	Very high	94.4	Very high	39 Å²	39	48.5 Å²	48.5	27%	0.273	25%	0.246	S	C	.	.	S	Bend	trans	-65.9	-16.5	-172.4	69.7	0	0	0	0	114.2	Y249 M250 K255	Y249-S253 VanDerWaalsContact O-CB 3.28Å; Y249-S253 WeakPolarHBondContact O-CB 3.4Å; Y249-S253 PolarHBondContact O-N 3.19Å; M250-S253 PolarHBondContact O-N 2.85Å; M250-S253 PolarHBondContact O-OG 2.86Å; S253-K255 PolarHBondContact O-N 2.85Å; S253-K255 VanDerWaalsContact O-N 3.09Å; S253-K255 WeakPolarHBondContact OG-CB 3.19Å; S253-K255 WeakPolarHBondContact OG-CG 3.41Å; S253-K255 PolarHBondContact OG-N 2.99Å
254	G	87.3	Confident	94.4	Very high	61 Å²	61	48.5 Å²	48.5	63%	0.629	25%	0.246	S	C	*	.			trans	69.1	-0.6	-175.3	0	0	0	0	0	114.3	R252 K256	R252-G254 PolarHBondContact O-N 2.88Å; R252-G254 VanDerWaalsContact O-N 3.14Å; G254-K256 PolarHBondContact O-N 2.79Å; G254-K256 VanDerWaalsContact O-N 3.1Å
255	K	85.8	Confident	94.4	Very high	71 Å²	71	48.5 Å²	48.5	31%	0.309	25%	0.246	S	C	.	.			trans	-63.7	-17.4	-174.7	-69	178	164.3	-167	0	114.5	Y216 Q217 F219 S253 I257	Y216-K255 PolarHBondContact O-NZ 2.72Å; Q217-K255 PolarHBondContact O-NZ 2.88Å; F219-K255 PolarHBondContact O-NZ 3.39Å; F219-K255 VanDerWaalsContact O-NZ 3.07Å; S253-K255 PolarHBondContact O-N 2.85Å; S253-K255 VanDerWaalsContact O-N 3.09Å; S253-K255 WeakPolarHBondContact OG-CB 3.19Å; S253-K255 WeakPolarHBondContact OG-CG 3.41Å; S253-K255 PolarHBondContact OG-N 2.99Å; K255-I257 HydrophobicContact CB-CB 4.32Å; K255-I257 HydrophobicContact CB-CD1 3.77Å; K255-I257 HydrophobicContact CB-CG1 3.78Å; K255-I257 HydrophobicContact CD-CD1 3.95Å; K255-I257 HydrophobicContact CG-CD1 4.38Å; K255-I257 WeakPolarHBondContact O-CG1 3.46Å; K255-I257 PolarHBondContact O-N 3.09Å
256	K	84.7	Confident	94.3	Very high	208 Å²	208	49.1 Å²	49.1	90%	0.904	25%	0.251	S	S	*	.			trans	53.6	33.6	-173.3	-59.5	-178.6	179.8	178.5	0	113.4	G254	G254-K256 PolarHBondContact O-N 2.79Å; G254-K256 VanDerWaalsContact O-N 3.1Å
257	I	86.5	Confident	94.2	Very high	41 Å²	41	51.8 Å²	51.8	21%	0.21	27%	0.267	C	S	.	.	P	Polyproline II helix	trans	-97.7	131	-179.5	-64.9	179.3	0	0	0	109.1	F219 N220 G221 K255	F219-I257 HydrophobicContact CD1-CG2 4.32Å; F219-I257 HydrophobicContact CE1-CG2 4.14Å; N220-I257 WeakPolarHBondContact OD1-CD1 3.46Å; G221-I257 VanDerWaalsContact N-CG2 3.27Å; K255-I257 HydrophobicContact CB-CB 4.32Å; K255-I257 HydrophobicContact CB-CD1 3.77Å; K255-I257 HydrophobicContact CB-CG1 3.78Å; K255-I257 HydrophobicContact CD-CD1 3.95Å; K255-I257 HydrophobicContact CG-CD1 4.38Å; K255-I257 WeakPolarHBondContact O-CG1 3.46Å; K255-I257 PolarHBondContact O-N 3.09Å
258	L	88	Confident	94.2	Very high	154 Å²	154	57.1 Å²	57.1	81%	0.806	30%	0.296	S	S	*	.	P	Polyproline II helix	trans	-82.2	120.6	172.8	-170.3	69.9	0	0	0	109.5
259	A	95.9	Very high	94.1	Very high	22 Å²	22	60 Å²	60	18%	0.182	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	125	170	0	0	0	0	0	109.4	F219 F246 M250 I261	F219-A259 HydrophobicContact CE1-CB 3.64Å; F219-A259 HydrophobicContact CZ-CB 3.96Å; F246-A259 HydrophobicContact CE1-CB 3.81Å; F246-A259 HydrophobicContact CZ-CB 4.22Å; M250-A259 HydrophobicContact CG-CB 4.41Å; A259-I261 HydrophobicContact CB-CG1 4.04Å; A259-I261 PolarHBondContact O-N 2.92Å
260	N	98	Very high	94.1	Very high	68 Å²	68	58.8 Å²	58.8	36%	0.364	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	99.4	168.7	-172.7	20.7	0	0	0	108.3	G222 N223 A224 H262 N290	G222-N260 PolarHBondContact O-N 3.37Å; N223-N260 WeakPolarHBondContact CA-O 3.47Å; N223-N260 WeakPolarHBondContact OD1-CB 3.33Å; N223-N260 PolarHBondContact OD1-ND2 2.83Å; A224-N260 PolarHBondContact N-O 2.94Å; N260-H262 VanDerWaalsContact CG-NE2 3.26Å; N260-H262 PolarHBondContact ND2-NE2 2.82Å; N260-H262 PolarHBondContact O-CD2 3.29Å; N260-H262 VanDerWaalsContact O-CD2 3.29Å; N260-H262 PolarHBondContact OD1-NE2 2.88Å; N260-N290 PolarHBondContact OD1-ND2 3.05Å
261	I	98.7	Very high	94	Very high	9 Å²	9	58.3 Å²	58.3	5%	0.046	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	125.8	-170.5	-57.1	179.8	0	0	0	109.7	A224 F226 M243 F246 E247 A259 I289 N290	A224-I261 HydrophobicContact CB-CG1 4.48Å; A224-I261 WeakPolarHBondContact O-CA 3.39Å; F226-I261 HydrophobicContact CD2-CG2 4.07Å; F226-I261 HydrophobicContact CE2-CG2 3.93Å; M243-I261 HydrophobicContact CG-CG2 3.83Å; M243-I261 HydrophobicContact SD-CG2 4.44Å; F246-I261 HydrophobicContact CD1-CD1 3.98Å; F246-I261 HydrophobicContact CD1-CG1 4.29Å; F246-I261 HydrophobicContact CE1-CD1 4.19Å; F246-I261 HydrophobicContact CE1-CG1 4.14Å; E247-I261 HydrophobicContact CB-CD1 3.54Å; E247-I261 HydrophobicContact CG-CD1 3.68Å; A259-I261 HydrophobicContact CB-CG1 4.04Å; A259-I261 PolarHBondContact O-N 2.92Å; I261-I289 HydrophobicContact CB-CG1 4.42Å; I261-I289 HydrophobicContact CG2-CG1 4.24Å; I261-I289 HydrophobicContact CG2-CG2 4.06Å; I261-N290 WeakPolarHBondContact O-CB 3.24Å; I261-N290 PolarHBondContact O-N 2.79Å; I261-N290 PolarHBondContact O-ND2 3.26Å
262	H	98.8	Very high	93.9	Very high	20 Å²	20	54.6 Å²	54.6	9%	0.093	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	127.8	176.4	-62.5	-91.4	0	0	0	110.8	N223 A224 V225 F226 N260 F264 N290 I320	N223-H262 PolarHBondContact OD1-NE2 2.76Å; A224-H262 PolarHBondContact O-N 3.24Å; V225-H262 WeakPolarHBondContact CA-O 3.31Å; F226-H262 PolarHBondContact N-O 2.99Å; N260-H262 VanDerWaalsContact CG-NE2 3.26Å; N260-H262 PolarHBondContact ND2-NE2 2.82Å; N260-H262 PolarHBondContact O-CD2 3.29Å; N260-H262 VanDerWaalsContact O-CD2 3.29Å; N260-H262 PolarHBondContact OD1-NE2 2.88Å; H262-F264 HydrophobicContact CB-CD2 4.02Å; H262-F264 HydrophobicContact CB-CE2 3.63Å; H262-N290 WeakPolarHBondContact CA-O 3.29Å; H262-I320 HydrophobicContact CB-CD1 4.39Å
263	Y	98.8	Very high	94	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	108.8	170.4	-172.6	-108.6	0	0	0	109.4	F226 L228 P239 Q240 M243 T265 L270 N290 N292	F226-Y263 HydrophobicContact CB-CD2 3.89Å; L228-Y263 WeakPolarHBondContact CB-OH 3.5Å; L228-Y263 VanDerWaalsContact CD2-OH 3.31Å; L228-Y263 WeakPolarHBondContact CD2-OH 3.26Å; P239-Y263 HydrophobicContact CB-CE2 4Å; Q240-Y263 HydrophobicContact CG-CE1 4.15Å; Q240-Y263 HydrophobicContact CG-CE2 3.94Å; Q240-Y263 WeakPolarHBondContact CG-OH 3.4Å; M243-Y263 WeakPolarHBondContact SD-CB 3.4Å; M243-Y263 HydrophobicContact SD-CD2 3.63Å; M243-Y263 HydrophobicContact SD-CG 3.74Å; Y263-T265 HydrophobicContact CD1-CG2 4.19Å; Y263-T265 HydrophobicContact CE1-CG2 3.86Å; Y263-L270 HydrophobicContact CD1-CD2 3.69Å; Y263-L270 HydrophobicContact CE1-CD2 3.76Å; Y263-N290 PolarHBondContact N-O 2.75Å; Y263-N292 PolarHBondContact O-N 3.3Å
264	F	98.7	Very high	94.2	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	124.2	174.1	-74.6	-94.2	0	0	0	109.4	V225 F226 T227 L228 H262 N292 Y295 F309 K318 I320	V225-F264 HydrophobicContact CG1-CD2 3.91Å; V225-F264 HydrophobicContact CG1-CE2 4.23Å; F226-F264 PolarHBondContact O-N 2.99Å; T227-F264 CarbonylContact C-O 3.46Å; T227-F264 VanDerWaalsContact CA-O 3.29Å; T227-F264 WeakPolarHBondContact CA-O 3.43Å; L228-F264 PolarHBondContact N-O 3.35Å; H262-F264 HydrophobicContact CB-CD2 4.02Å; H262-F264 HydrophobicContact CB-CE2 3.63Å; F264-N292 WeakPolarHBondContact CA-O 3.12Å; F264-N292 HydrophobicContact CD1-CB 3.42Å; F264-N292 VanDerWaalsContact CD1-CB 3.42Å; F264-N292 HydrophobicContact CD2-CB 4.42Å; F264-N292 HydrophobicContact CE1-CB 3.51Å; F264-N292 HydrophobicContact CG-CB 3.92Å; F264-N292 HydrophobicContact CZ-CB 4.08Å; F264-Y295 HydrophobicContact CD1-CD2 4.47Å; F264-Y295 HydrophobicContact CD1-CG 4.13Å; F264-Y295 HydrophobicContact CE1-CG 4.38Å; F264-F309 HydrophobicContact CB-CD1 3.62Å; F264-F309 HydrophobicContact CB-CE1 3.24Å; F264-F309 HydrophobicContact CB-CG 4.5Å; F264-F309 HydrophobicContact CB-CZ 3.86Å; F264-F309 HydrophobicContact CD1-CB 4.23Å; F264-F309 AromaticContact CD1-CD1 3.59Å; F264-F309 HydrophobicContact CD1-CD1 3.59Å; F264-F309 AromaticContact CD1-CD2 3.99Å; F264-F309 HydrophobicContact CD1-CD2 3.99Å; F264-F309 AromaticContact CD1-CE1 3.89Å; F264-F309 HydrophobicContact CD1-CE1 3.89Å; F264-F309 HydrophobicContact CD1-CE2 4.25Å; F264-F309 AromaticContact CD1-CG 3.65Å; F264-F309 HydrophobicContact CD1-CG 3.65Å; F264-F309 HydrophobicContact CD1-CZ 4.21Å; F264-F309 HydrophobicContact CD2-CD1 4.43Å; F264-F309 HydrophobicContact CD2-CD2 4.41Å; F264-F309 AromaticContact CD2-CE1 3.91Å; F264-F309 HydrophobicContact CD2-CE1 3.91Å; F264-F309 AromaticContact CD2-CE2 3.89Å; F264-F309 HydrophobicContact CD2-CE2 3.89Å; F264-F309 AromaticContact CD2-CZ 3.61Å; F264-F309 HydrophobicContact CD2-CZ 3.61Å; F264-F309 HydrophobicContact CE1-CB 4.37Å; F264-F309 HydrophobicContact CE1-CD1 4.35Å; F264-F309 AromaticContact CE1-CD2 3.95Å; F264-F309 HydrophobicContact CE1-CD2 3.95Å; F264-F309 HydrophobicContact CE1-CE2 4.34Å; F264-F309 AromaticContact CE1-CG 3.95Å; F264-F309 HydrophobicContact CE1-CG 3.95Å; F264-F309 HydrophobicContact CE2-CD2 4.35Å; F264-F309 AromaticContact CE2-CE2 3.96Å; F264-F309 HydrophobicContact CE2-CE2 3.96Å; F264-F309 HydrophobicContact CE2-CZ 4.16Å; F264-F309 AromaticContact CG-CD1 3.63Å; F264-F309 HydrophobicContact CG-CD1 3.63Å; F264-F309 HydrophobicContact CG-CD2 4.23Å; F264-F309 AromaticContact CG-CE1 3.42Å; F264-F309 HydrophobicContact CG-CE1 3.42Å; F264-F309 VanDerWaalsContact CG-CE1 3.42Å; F264-F309 HydrophobicContact CG-CE2 4.03Å; F264-F309 HydrophobicContact CG-CG 4.04Å; F264-F309 AromaticContact CG-CZ 3.63Å; F264-F309 HydrophobicContact CG-CZ 3.63Å; F264-F309 HydrophobicContact CZ-CD2 4.13Å; F264-F309 HydrophobicContact CZ-CE2 4.19Å; F264-K318 HydrophobicContact CE1-CD 4.09Å; F264-K318 HydrophobicContact CZ-CD 4.42Å; F264-I320 HydrophobicContact CE2-CD1 4.15Å; F264-I320 HydrophobicContact CE2-CG2 4.25Å; F264-I320 HydrophobicContact CZ-CD1 4.36Å; F264-I320 HydrophobicContact CZ-CG2 4.43Å
265	T	98.4	Very high	94.6	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	137.5	176.1	179.9	0	0	0	0	110.7	L228 Y263 T267 N292 L293 S294 Y295	L228-T265 VanDerWaalsContact CD2-OG1 3.24Å; L228-T265 WeakPolarHBondContact CD2-OG1 3.5Å; L228-T265 WeakPolarHBondContact CG-OG1 3.45Å; L228-T265 WeakPolarHBondContact O-CA 3.37Å; Y263-T265 HydrophobicContact CD1-CG2 4.19Å; Y263-T265 HydrophobicContact CE1-CG2 3.86Å; T265-T267 PolarHBondContact O-N 3.39Å; T265-T267 PolarHBondContact OG1-N 3.09Å; T265-T267 PolarHBondContact OG1-OG1 3.21Å; T265-N292 PolarHBondContact N-O 3.32Å; T265-L293 HydrophobicContact CG2-CD2 3.44Å; T265-L293 VanDerWaalsContact CG2-CD2 3.44Å; T265-L293 CarbonylContact O-C 3.44Å; T265-S294 PolarHBondContact O-N 3.07Å; T265-Y295 CarbonylContact C-O 3.59Å; T265-Y295 PolarHBondContact O-N 3.26Å
266	A	97.8	Very high	95.2	Very high	13 Å²	13	47.3 Å²	47.3	11%	0.107	25%	0.247	C	C	.	.	S	Bend	trans	-69.9	-10.3	174.1	0	0	0	0	0	112.9	L228 A230 Y295 N296 M312	L228-A266 PolarHBondContact O-N 3.06Å; A230-A266 HydrophobicContact CB-CB 3.73Å; A230-A266 VanDerWaalsContact N-CB 3.26Å; A266-Y295 PolarHBondContact N-O 2.94Å; A266-Y295 VanDerWaalsContact N-O 3.13Å; A266-N296 HydrophobicContact CB-CB 4.02Å; A266-M312 HydrophobicContact CB-CG 4.23Å; A266-M312 HydrophobicContact CB-SD 4.01Å; A266-M312 WeakPolarHBondContact O-CG 3.46Å
267	T	96.5	Very high	95.8	Very high	57 Å²	57	37.9 Å²	37.9	35%	0.35	21%	0.207	S	C	.	.	S	Bend	trans	-86.5	153.9	176.7	59.8	0	0	0	0	111.8	T265 K269 S294	T265-T267 PolarHBondContact O-N 3.39Å; T265-T267 PolarHBondContact OG1-N 3.09Å; T265-T267 PolarHBondContact OG1-OG1 3.21Å; T267-K269 WeakPolarHBondContact CB-O 3.46Å; T267-K269 PolarHBondContact O-N 2.96Å; T267-K269 PolarHBondContact OG1-O 3.13Å; T267-S294 PolarHBondContact O-N 3.32Å
268	N	95.9	Very high	96.3	Very high	119 Å²	119	42.4 Å²	42.4	64%	0.636	23%	0.227	S	C	*	.	S	Bend	trans	-82.3	3.4	175.6	67.5	-11	0	0	0	114	L293	N268-L293 WeakPolarHBondContact O-CD1 3.38Å
269	K	95.9	Very high	96.7	Very high	66 Å²	66	36.4 Å²	36.4	29%	0.287	20%	0.196	S	C	.	.	S	Bend	trans	-152.7	159	176.1	61.1	-176.9	-173.1	176.8	0	111.1	T267 F271 S272 D274	T267-K269 WeakPolarHBondContact CB-O 3.46Å; T267-K269 PolarHBondContact O-N 2.96Å; T267-K269 PolarHBondContact OG1-O 3.13Å; K269-F271 VanDerWaalsContact C-N 3.35Å; K269-F271 VanDerWaalsContact CD-O 3.24Å; K269-F271 WeakPolarHBondContact CD-O 3.49Å; K269-F271 WeakPolarHBondContact CE-O 3.27Å; K269-F271 VanDerWaalsContact CG-O 3.3Å; K269-F271 WeakPolarHBondContact CG-O 3.37Å; K269-F271 PolarHBondContact O-N 3.33Å; K269-S272 VanDerWaalsContact CE-O 3.27Å; K269-S272 WeakPolarHBondContact CE-O 3.25Å; K269-S272 PolarHBondContact NZ-O 2.79Å; K269-D274 IonicContact NZ-OD1 2.62Å; K269-D274 PolarHBondContact NZ-OD1 2.88Å
270	L	96	Very high	96.8	Very high	7 Å²	7	35.4 Å²	35.4	4%	0.037	19%	0.187	C	C	.	.	S	Bend	trans	-72.9	-25.8	-176.1	-68.3	179.9	0	0	0	113.3	Q240 Y263 S277 L280 C284 C291 L293	Q240-L270 PolarHBondContact NE2-O 3.4Å; Y263-L270 HydrophobicContact CD1-CD2 3.69Å; Y263-L270 HydrophobicContact CE1-CD2 3.76Å; L270-S277 PolarHBondContact N-OG 2.9Å; L270-L280 HydrophobicContact CB-CB 4.49Å; L270-L280 HydrophobicContact CD1-CB 4.38Å; L270-C284 HydrophobicContact CD1-CB 4.49Å; L270-C291 HydrophobicContact CD2-CB 4.16Å; L270-L293 HydrophobicContact CD2-CD2 4.03Å; L270-L293 HydrophobicContact CG-CD2 4.48Å
271	F	95.5	Very high	96.8	Very high	9 Å²	9	34.3 Å²	34.3	4%	0.039	18%	0.183	C	C	.	.			trans	-148.9	151.9	177.7	-155.2	-102.7	0	0	0	111.8	K269 V273 Y276 S277 L280 C416 I418 A428 F430	K269-F271 VanDerWaalsContact C-N 3.35Å; K269-F271 VanDerWaalsContact CD-O 3.24Å; K269-F271 WeakPolarHBondContact CD-O 3.49Å; K269-F271 WeakPolarHBondContact CE-O 3.27Å; K269-F271 VanDerWaalsContact CG-O 3.3Å; K269-F271 WeakPolarHBondContact CG-O 3.37Å; K269-F271 PolarHBondContact O-N 3.33Å; F271-V273 VanDerWaalsContact C-N 3.33Å; F271-V273 HydrophobicContact CD1-CB 4.04Å; F271-V273 HydrophobicContact CD1-CG2 4.37Å; F271-V273 HydrophobicContact CE1-CB 4.28Å; F271-V273 HydrophobicContact CE1-CG2 4.17Å; F271-V273 PolarHBondContact O-N 2.89Å; F271-Y276 HydrophobicContact CD1-CD2 4.13Å; F271-Y276 HydrophobicContact CD1-CG 4.45Å; F271-Y276 AromaticContact CE1-CD2 3.94Å; F271-Y276 HydrophobicContact CE1-CD2 3.94Å; F271-S277 PolarHBondContact N-OG 3.27Å; F271-S277 WeakPolarHBondContact O-CB 3.42Å; F271-L280 HydrophobicContact CB-CD1 3.88Å; F271-L280 HydrophobicContact CD2-CD1 4.15Å; F271-L280 HydrophobicContact CG-CD1 4.15Å; F271-C416 HydrophobicContact CE2-CB 4.4Å; F271-C416 HydrophobicContact CZ-CB 4.12Å; F271-I418 HydrophobicContact CD2-CD1 4.19Å; F271-I418 HydrophobicContact CE2-CD1 3.92Å; F271-A428 HydrophobicContact CE1-CB 3.79Å; F271-A428 HydrophobicContact CZ-CB 3.78Å; F271-F430 HydrophobicContact CE1-CD1 4.23Å; F271-F430 AromaticContact CE1-CE1 3.67Å; F271-F430 HydrophobicContact CE1-CE1 3.67Å; F271-F430 HydrophobicContact CE1-CZ 4.27Å; F271-F430 AromaticContact CZ-CE1 3.76Å; F271-F430 HydrophobicContact CZ-CE1 3.76Å; F271-F430 HydrophobicContact CZ-CZ 4.26Å
272	S	91.5	Very high	96.8	Very high	56 Å²	56	40.2 Å²	40.2	39%	0.392	21%	0.211	S	C	.	.	S	Bend	trans	-67.5	-31.6	-174.8	53.1	0	0	0	0	113.6	K269	K269-S272 VanDerWaalsContact CE-O 3.27Å; K269-S272 WeakPolarHBondContact CE-O 3.25Å; K269-S272 PolarHBondContact NZ-O 2.79Å
273	V	94.2	Very high	96.8	Very high	2 Å²	2	39.8 Å²	39.8	1%	0.012	21%	0.209	C	C	.	.	S	Bend	trans	-93.9	124	177.7	178.2	0	0	0	0	109.2	F271 K275 Y276 S277 F430 A434 P436	F271-V273 VanDerWaalsContact C-N 3.33Å; F271-V273 HydrophobicContact CD1-CB 4.04Å; F271-V273 HydrophobicContact CD1-CG2 4.37Å; F271-V273 HydrophobicContact CE1-CB 4.28Å; F271-V273 HydrophobicContact CE1-CG2 4.17Å; F271-V273 PolarHBondContact O-N 2.89Å; V273-K275 HydrophobicContact CG1-CB 4.39Å; V273-K275 PolarHBondContact O-N 3.25Å; V273-Y276 HydrophobicContact CB-CD2 3.67Å; V273-Y276 HydrophobicContact CB-CE2 4.26Å; V273-Y276 HydrophobicContact CG1-CD2 3.63Å; V273-Y276 HydrophobicContact CG1-CE2 3.9Å; V273-Y276 HydrophobicContact CG1-CG 4.49Å; V273-Y276 HydrophobicContact CG2-CD2 4.19Å; V273-Y276 HydrophobicContact CG2-CE2 4.46Å; V273-Y276 PolarHBondContact O-N 3.37Å; V273-S277 WeakPolarHBondContact O-CB 3.47Å; V273-S277 PolarHBondContact O-N 2.65Å; V273-F430 HydrophobicContact CG2-CB 3.74Å; V273-F430 HydrophobicContact CG2-CD1 3.72Å; V273-F430 HydrophobicContact CG2-CD2 3.91Å; V273-F430 HydrophobicContact CG2-CE1 4.29Å; V273-F430 HydrophobicContact CG2-CE2 4.44Å; V273-F430 HydrophobicContact CG2-CG 3.51Å; V273-A434 WeakPolarHBondContact CG1-O 3.41Å; V273-A434 HydrophobicContact CG2-CB 4.1Å; V273-P436 HydrophobicContact CG1-CG 4.37Å
274	D	95.3	Very high	96.8	Very high	95 Å²	95	39.9 Å²	39.9	51%	0.508	21%	0.21	S	C	.	.	H	α-helix	trans	-61	-45.5	-169.7	-60.7	-27.2	0	0	0	112.7	K269 Y276 S277 E278	K269-D274 IonicContact NZ-OD1 2.62Å; K269-D274 PolarHBondContact NZ-OD1 2.88Å; D274-Y276 PolarHBondContact O-N 3.49Å; D274-S277 CarbonylContact O-C 3.49Å; D274-S277 WeakPolarHBondContact O-CA 3.43Å; D274-S277 WeakPolarHBondContact O-CB 3.48Å; D274-S277 PolarHBondContact O-N 3.16Å; D274-E278 WeakPolarHBondContact O-CG 3.31Å; D274-E278 PolarHBondContact O-N 3.49Å
275	K	96.4	Very high	96.7	Very high	48 Å²	48	47.3 Å²	47.3	21%	0.209	24%	0.242	C	C	.	.	H	α-helix	trans	-45.5	-58.9	173.3	178.5	-172.9	177	-173.9	0	111.4	V273 S277 E278 N279 P436 E438 D443	V273-K275 HydrophobicContact CG1-CB 4.39Å; V273-K275 PolarHBondContact O-N 3.25Å; K275-S277 VanDerWaalsContact C-N 3.32Å; K275-S277 PolarHBondContact O-N 2.84Å; K275-E278 PolarHBondContact O-N 3.09Å; K275-N279 PolarHBondContact O-N 3.19Å; K275-N279 VanDerWaalsContact O-N 3.14Å; K275-N279 PolarHBondContact O-OD1 3.15Å; K275-P436 HydrophobicContact CB-CG 4.42Å; K275-P436 HydrophobicContact CD-CG 3.88Å; K275-E438 IonicContact NZ-OE1 3.72Å; K275-E438 PolarHBondContact NZ-OE1 2.81Å; K275-E438 IonicContact NZ-OE2 3.66Å; K275-E438 PolarHBondContact NZ-OE2 3.44Å; K275-E438 VanDerWaalsContact NZ-OE2 3.1Å; K275-D443 WeakPolarHBondContact CE-OD1 3.38Å; K275-D443 IonicContact NZ-OD1 3Å; K275-D443 PolarHBondContact NZ-OD1 3.26Å
276	Y	97.2	Very high	96.7	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-70.1	-30.9	-177.5	-54.1	-54.6	0	0	0	112	F271 V273 D274 N279 L280 A428 E429 F430 E438	F271-Y276 HydrophobicContact CD1-CD2 4.13Å; F271-Y276 HydrophobicContact CD1-CG 4.45Å; F271-Y276 AromaticContact CE1-CD2 3.94Å; F271-Y276 HydrophobicContact CE1-CD2 3.94Å; V273-Y276 HydrophobicContact CB-CD2 3.67Å; V273-Y276 HydrophobicContact CB-CE2 4.26Å; V273-Y276 HydrophobicContact CG1-CD2 3.63Å; V273-Y276 HydrophobicContact CG1-CE2 3.9Å; V273-Y276 HydrophobicContact CG1-CG 4.49Å; V273-Y276 HydrophobicContact CG2-CD2 4.19Å; V273-Y276 HydrophobicContact CG2-CE2 4.46Å; V273-Y276 PolarHBondContact O-N 3.37Å; D274-Y276 PolarHBondContact O-N 3.49Å; Y276-N279 PolarHBondContact O-N 3.47Å; Y276-L280 WeakPolarHBondContact O-CB 3.29Å; Y276-L280 WeakPolarHBondContact O-CD1 3.5Å; Y276-L280 WeakPolarHBondContact O-CG 3.3Å; Y276-L280 PolarHBondContact O-N 3.29Å; Y276-A428 HydrophobicContact CD1-CB 4.06Å; Y276-A428 HydrophobicContact CD2-CB 3.39Å; Y276-A428 HydrophobicContact CE1-CB 4.24Å; Y276-A428 HydrophobicContact CE2-CB 3.65Å; Y276-A428 HydrophobicContact CG-CB 3.65Å; Y276-A428 VanDerWaalsContact CZ-CA 3.48Å; Y276-E429 PolarHBondContact OH-N 2.92Å; Y276-E429 PolarHBondContact OH-O 3.35Å; Y276-F430 HydrophobicContact CE2-CD1 4.3Å; Y276-E438 VanDerWaalsContact OH-CG 3.25Å; Y276-E438 WeakPolarHBondContact OH-CG 3.06Å; Y276-E438 PolarHBondContact OH-OE1 2.76Å
277	S	97.2	Very high	96.6	Very high	10 Å²	10	55.7 Å²	55.7	7%	0.07	28%	0.275	C	S	.	.	H	α-helix	trans	-64.2	-41.7	175.2	-168.6	0	0	0	0	111.7	L270 F271 V273 D274 K275 L280 T281	L270-S277 PolarHBondContact N-OG 2.9Å; F271-S277 PolarHBondContact N-OG 3.27Å; F271-S277 WeakPolarHBondContact O-CB 3.42Å; V273-S277 WeakPolarHBondContact O-CB 3.47Å; V273-S277 PolarHBondContact O-N 2.65Å; D274-S277 CarbonylContact O-C 3.49Å; D274-S277 WeakPolarHBondContact O-CA 3.43Å; D274-S277 WeakPolarHBondContact O-CB 3.48Å; D274-S277 PolarHBondContact O-N 3.16Å; K275-S277 VanDerWaalsContact C-N 3.32Å; K275-S277 PolarHBondContact O-N 2.84Å; S277-L280 PolarHBondContact O-N 3.01Å; S277-T281 VanDerWaalsContact O-CB 3.29Å; S277-T281 WeakPolarHBondContact O-CB 3.29Å; S277-T281 PolarHBondContact O-N 3.14Å; S277-T281 PolarHBondContact O-OG1 3.42Å
278	E	97.5	Very high	96.6	Very high	136 Å²	136	59.5 Å²	59.5	64%	0.636	29%	0.293	S	S	*	.	H	α-helix	trans	-62.1	-50.3	174.9	-71.4	168.3	-168.7	0	0	110.8	D274 K275 L280 T281 E282	D274-E278 WeakPolarHBondContact O-CG 3.31Å; D274-E278 PolarHBondContact O-N 3.49Å; K275-E278 PolarHBondContact O-N 3.09Å; E278-L280 VanDerWaalsContact C-N 3.35Å; E278-L280 PolarHBondContact O-N 2.92Å; E278-T281 WeakPolarHBondContact O-CB 3.4Å; E278-T281 PolarHBondContact O-N 2.97Å; E278-E282 PolarHBondContact O-N 2.84Å
279	N	97.4	Very high	96.8	Very high	28 Å²	28	54.3 Å²	54.3	15%	0.15	27%	0.266	C	S	.	.	H	α-helix	trans	-57.1	-46.6	176.7	-67.2	118.5	0	0	0	112	K275 Y276 T281 E282 I283 G445	K275-N279 PolarHBondContact O-N 3.19Å; K275-N279 VanDerWaalsContact O-N 3.14Å; K275-N279 PolarHBondContact O-OD1 3.15Å; Y276-N279 PolarHBondContact O-N 3.47Å; N279-T281 VanDerWaalsContact C-N 3.34Å; N279-T281 PolarHBondContact O-N 3.05Å; N279-E282 PolarHBondContact O-N 3.15Å; N279-I283 VanDerWaalsContact O-CG1 3.27Å; N279-I283 WeakPolarHBondContact O-CG1 3.29Å; N279-I283 PolarHBondContact O-N 3.41Å; N279-G445 WeakPolarHBondContact CB-O 3.39Å; N279-G445 VanDerWaalsContact CG-O 3.3Å
280	L	98.1	Very high	96.9	Very high	0 Å²	0	54.3 Å²	54.3	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-67.2	-35.5	179.6	-69.6	164.3	0	0	0	112	Y244 L270 F271 Y276 S277 E278 I283 C284 I418 I426	Y244-L280 HydrophobicContact CE2-CD2 3.82Å; Y244-L280 WeakPolarHBondContact OH-CD2 3.06Å; L270-L280 HydrophobicContact CB-CB 4.49Å; L270-L280 HydrophobicContact CD1-CB 4.38Å; F271-L280 HydrophobicContact CB-CD1 3.88Å; F271-L280 HydrophobicContact CD2-CD1 4.15Å; F271-L280 HydrophobicContact CG-CD1 4.15Å; Y276-L280 WeakPolarHBondContact O-CB 3.29Å; Y276-L280 WeakPolarHBondContact O-CD1 3.5Å; Y276-L280 WeakPolarHBondContact O-CG 3.3Å; Y276-L280 PolarHBondContact O-N 3.29Å; S277-L280 PolarHBondContact O-N 3.01Å; E278-L280 VanDerWaalsContact C-N 3.35Å; E278-L280 PolarHBondContact O-N 2.92Å; L280-I283 HydrophobicContact CD2-CD1 4.43Å; L280-I283 PolarHBondContact O-N 3.08Å; L280-C284 PolarHBondContact O-N 2.99Å; L280-C284 PolarHBondContact O-SG 2.87Å; L280-I418 HydrophobicContact CD1-CD1 3.9Å; L280-I418 HydrophobicContact CD2-CD1 4.39Å; L280-I418 HydrophobicContact CD2-CG2 4.29Å; L280-I426 HydrophobicContact CD1-CD1 4.23Å; L280-I426 HydrophobicContact CD2-CD1 3.73Å; L280-I426 HydrophobicContact CD2-CG1 4.45Å; L280-I426 HydrophobicContact CG-CD1 3.88Å
281	T	98.1	Very high	97	Very high	45 Å²	45	56.1 Å²	56.1	28%	0.276	28%	0.282	S	S	.	.	H	α-helix	trans	-64.6	-42.7	175.4	-60.4	0	0	0	0	111.2	S277 E278 N279 C284 K285	S277-T281 VanDerWaalsContact O-CB 3.29Å; S277-T281 WeakPolarHBondContact O-CB 3.29Å; S277-T281 PolarHBondContact O-N 3.14Å; S277-T281 PolarHBondContact O-OG1 3.42Å; E278-T281 WeakPolarHBondContact O-CB 3.4Å; E278-T281 PolarHBondContact O-N 2.97Å; N279-T281 VanDerWaalsContact C-N 3.34Å; N279-T281 PolarHBondContact O-N 3.05Å; T281-C284 PolarHBondContact O-N 2.84Å; T281-K285 HydrophobicContact CG2-CD 4.32Å; T281-K285 WeakPolarHBondContact O-CG 3.47Å; T281-K285 PolarHBondContact O-N 3.27Å
282	E	97.9	Very high	97.1	Very high	133 Å²	133	56.8 Å²	56.8	62%	0.621	29%	0.286	S	S	*	.	H	α-helix	trans	-61.6	-43.5	174.8	-168.5	-172.4	167.4	0	0	111.5	E278 N279 C284 K285 K286	E278-E282 PolarHBondContact O-N 2.84Å; N279-E282 PolarHBondContact O-N 3.15Å; E282-C284 PolarHBondContact O-N 2.77Å; E282-K285 PolarHBondContact O-N 3Å; E282-K286 WeakPolarHBondContact O-CB 3.21Å; E282-K286 PolarHBondContact O-N 3.2Å
283	I	98	Very high	97.4	Very high	11 Å²	11	57.2 Å²	57.2	6%	0.056	28%	0.283	C	S	.	.	H	α-helix	trans	-58.9	-48.4	175.6	-69	167.4	0	0	0	110.8	Y244 N279 L280 K286 R287 T420 E447	Y244-I283 HydrophobicContact CD1-CG2 4.21Å; Y244-I283 HydrophobicContact CE1-CG2 3.71Å; N279-I283 VanDerWaalsContact O-CG1 3.27Å; N279-I283 WeakPolarHBondContact O-CG1 3.29Å; N279-I283 PolarHBondContact O-N 3.41Å; L280-I283 HydrophobicContact CD2-CD1 4.43Å; L280-I283 PolarHBondContact O-N 3.08Å; I283-K286 PolarHBondContact O-N 3.49Å; I283-R287 WeakPolarHBondContact O-CB 3.47Å; I283-R287 WeakPolarHBondContact O-CD 3.23Å; I283-R287 VanDerWaalsContact O-CG 3.24Å; I283-R287 WeakPolarHBondContact O-CG 3.41Å; I283-R287 PolarHBondContact O-N 3.47Å; I283-T420 HydrophobicContact CD1-CG2 4.22Å; I283-E447 HydrophobicContact CD1-CG 3.43Å; I283-E447 VanDerWaalsContact CD1-CG 3.43Å; I283-E447 HydrophobicContact CG1-CG 3.99Å
284	C	98.5	Very high	97.6	Very high	2 Å²	2	58 Å²	58	1%	0.014	29%	0.288	C	S	.	.	H	α-helix	trans	-61.6	-44.9	178.3	-74.1	0	0	0	0	112.2	Y244 L270 L280 T281 E282 R287 N288 I289 C291	Y244-C284 PolarHBondContact OH-SG 3.04Å; Y244-C284 VanDerWaalsContact OH-SG 3.36Å; L270-C284 HydrophobicContact CD1-CB 4.49Å; L280-C284 PolarHBondContact O-N 2.99Å; L280-C284 PolarHBondContact O-SG 2.87Å; T281-C284 PolarHBondContact O-N 2.84Å; E282-C284 PolarHBondContact O-N 2.77Å; C284-R287 CarbonylContact O-C 3.5Å; C284-R287 PolarHBondContact O-N 3.06Å; C284-N288 PolarHBondContact O-N 3.1Å; C284-N288 VanDerWaalsContact O-N 3.11Å; C284-I289 HydrophobicContact CB-CB 4Å; C284-I289 HydrophobicContact CB-CG2 4.38Å; C284-I289 PolarHBondContact O-N 3.48Å; C284-C291 VanDerWaalsContact CB-SG 3.52Å
285	K	98	Very high	97.8	Very high	156 Å²	156	55.1 Å²	55.1	68%	0.678	27%	0.271	S	S	*	.	H	α-helix	trans	-58.9	-50.7	176.7	-75.4	176.1	178.8	179.1	0	111.6	T281 E282 R287 N288	T281-K285 HydrophobicContact CG2-CD 4.32Å; T281-K285 WeakPolarHBondContact O-CG 3.47Å; T281-K285 PolarHBondContact O-N 3.27Å; E282-K285 PolarHBondContact O-N 3Å; K285-R287 PolarHBondContact O-N 2.8Å; K285-R287 VanDerWaalsContact O-N 3.11Å; K285-N288 PolarHBondContact O-N 3.45Å; K285-N288 VanDerWaalsContact O-N 3.17Å
286	K	97.7	Very high	97.9	Very high	170 Å²	170	54.2 Å²	54.2	74%	0.739	27%	0.268	S	S	*	.	H	α-helix	trans	-59.4	-25.3	179.2	-178.4	175	179.4	176.8	0	113.1	E282 I283	E282-K286 WeakPolarHBondContact O-CB 3.21Å; E282-K286 PolarHBondContact O-N 3.2Å; I283-K286 PolarHBondContact O-N 3.49Å
287	R	96.2	Very high	98	Very high	20 Å²	20	54.5 Å²	54.5	8%	0.075	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.7	8.6	-175.7	-64.1	172.6	-176.5	-155.9	20.5	113.6	E247 I283 C284 K285 I289 T420 E447	E247-R287 HydrophobicContact CG-CB 4.46Å; E247-R287 WeakPolarHBondContact OE2-CD 3.21Å; E247-R287 IonicContact OE2-CZ 3.81Å; E247-R287 IonicContact OE2-NE 3.86Å; E247-R287 IonicContact OE2-NH1 2.7Å; E247-R287 PolarHBondContact OE2-NH1 3.38Å; I283-R287 WeakPolarHBondContact O-CB 3.47Å; I283-R287 WeakPolarHBondContact O-CD 3.23Å; I283-R287 VanDerWaalsContact O-CG 3.24Å; I283-R287 WeakPolarHBondContact O-CG 3.41Å; I283-R287 PolarHBondContact O-N 3.47Å; C284-R287 CarbonylContact O-C 3.5Å; C284-R287 PolarHBondContact O-N 3.06Å; K285-R287 PolarHBondContact O-N 2.8Å; K285-R287 VanDerWaalsContact O-N 3.11Å; R287-I289 VanDerWaalsContact C-N 3.26Å; R287-I289 HydrophobicContact CB-CD1 4.13Å; R287-I289 HydrophobicContact CB-CG1 4.06Å; R287-I289 PolarHBondContact O-N 2.65Å; R287-T420 PolarHBondContact NH1-O 3.5Å; R287-T420 PolarHBondContact NH2-O 2.98Å; R287-E447 IonicContact CZ-OE1 2.77Å; R287-E447 IonicContact CZ-OE2 3.65Å; R287-E447 IonicContact NH2-OE1 3.33Å; R287-E447 PolarHBondContact NH2-OE1 3.48Å; R287-E447 IonicContact NH2-OE2 2.72Å; R287-E447 PolarHBondContact NH2-OE2 3.05Å
288	N	96.9	Very high	98	Very high	136 Å²	136	55.8 Å²	55.8	73%	0.727	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.1	41.9	-179	-56.9	-34.5	0	0	0	112.7	C284 K285	C284-N288 PolarHBondContact O-N 3.1Å; C284-N288 VanDerWaalsContact O-N 3.11Å; K285-N288 PolarHBondContact O-N 3.45Å; K285-N288 VanDerWaalsContact O-N 3.17Å
289	I	98.5	Very high	98.1	Very high	11 Å²	11	52 Å²	52	6%	0.056	26%	0.259	C	S	.	.			trans	-91.2	122.9	174.5	-63.2	178.2	0	0	0	108.6	M243 Y244 E247 I261 C284 R287 C291	M243-I289 HydrophobicContact CE-CD1 3.89Å; M243-I289 HydrophobicContact CE-CG2 4.13Å; M243-I289 HydrophobicContact CG-CD1 4.44Å; M243-I289 HydrophobicContact CG-CG2 4.49Å; M243-I289 HydrophobicContact SD-CD1 4.18Å; M243-I289 HydrophobicContact SD-CG2 3.45Å; M243-I289 WeakPolarHBondContact SD-CG2 3.28Å; Y244-I289 HydrophobicContact CD1-CD1 4.01Å; Y244-I289 HydrophobicContact CE1-CD1 4.07Å; E247-I289 HydrophobicContact CG-CD1 4.31Å; I261-I289 HydrophobicContact CB-CG1 4.42Å; I261-I289 HydrophobicContact CG2-CG1 4.24Å; I261-I289 HydrophobicContact CG2-CG2 4.06Å; C284-I289 HydrophobicContact CB-CB 4Å; C284-I289 HydrophobicContact CB-CG2 4.38Å; C284-I289 PolarHBondContact O-N 3.48Å; R287-I289 VanDerWaalsContact C-N 3.26Å; R287-I289 HydrophobicContact CB-CD1 4.13Å; R287-I289 HydrophobicContact CB-CG1 4.06Å; R287-I289 PolarHBondContact O-N 2.65Å; I289-C291 PolarHBondContact O-N 2.84Å
290	N	98.5	Very high	98.2	Very high	65 Å²	65	50.8 Å²	50.8	35%	0.348	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	98.3	179.5	-56.7	-69.1	0	0	0	110.6	N260 I261 H262 Y263 N292	N260-N290 PolarHBondContact OD1-ND2 3.05Å; I261-N290 WeakPolarHBondContact O-CB 3.24Å; I261-N290 PolarHBondContact O-N 2.79Å; I261-N290 PolarHBondContact O-ND2 3.26Å; H262-N290 WeakPolarHBondContact CA-O 3.29Å; Y263-N290 PolarHBondContact N-O 2.75Å; N290-N292 PolarHBondContact O-N 2.95Å; N290-N292 PolarHBondContact O-ND2 2.84Å
291	C	98.3	Very high	98.2	Very high	46 Å²	46	53.2 Å²	53.2	31%	0.311	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	104.5	176.3	-63.4	0	0	0	0	110.8	L270 C284 I289	L270-C291 HydrophobicContact CD2-CB 4.16Å; C284-C291 VanDerWaalsContact CB-SG 3.52Å; I289-C291 PolarHBondContact O-N 2.84Å
292	N	98.5	Very high	98.2	Very high	23 Å²	23	52.8 Å²	52.8	12%	0.123	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	98.2	176.5	-63.4	-99.1	0	0	0	108.7	Y263 F264 T265 N290 Y295 K318	Y263-N292 PolarHBondContact O-N 3.3Å; F264-N292 WeakPolarHBondContact CA-O 3.12Å; F264-N292 HydrophobicContact CD1-CB 3.42Å; F264-N292 VanDerWaalsContact CD1-CB 3.42Å; F264-N292 HydrophobicContact CD2-CB 4.42Å; F264-N292 HydrophobicContact CE1-CB 3.51Å; F264-N292 HydrophobicContact CG-CB 3.92Å; F264-N292 HydrophobicContact CZ-CB 4.08Å; T265-N292 PolarHBondContact N-O 3.32Å; N290-N292 PolarHBondContact O-N 2.95Å; N290-N292 PolarHBondContact O-ND2 2.84Å; N292-Y295 HydrophobicContact CB-CD2 4.19Å; N292-K318 PolarHBondContact OD1-NZ 2.75Å
293	L	98	Very high	98.1	Very high	65 Å²	65	55.2 Å²	55.2	34%	0.34	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.2	155.9	-177.5	-53.2	-179.7	0	0	0	111.3	T265 N268 L270 Y295	T265-L293 HydrophobicContact CG2-CD2 3.44Å; T265-L293 VanDerWaalsContact CG2-CD2 3.44Å; T265-L293 CarbonylContact O-C 3.44Å; N268-L293 WeakPolarHBondContact O-CD1 3.38Å; L270-L293 HydrophobicContact CD2-CD2 4.03Å; L270-L293 HydrophobicContact CG-CD2 4.48Å; L293-Y295 VanDerWaalsContact C-N 3.28Å; L293-Y295 WeakPolarHBondContact O-CD2 3.33Å; L293-Y295 PolarHBondContact O-N 2.85Å
294	S	98.2	Very high	98.1	Very high	17 Å²	17	56.7 Å²	56.7	12%	0.119	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	59	32.2	179.1	-57	0	0	0	0	114.7	T265 T267 H311 M312	T265-S294 PolarHBondContact O-N 3.07Å; T267-S294 PolarHBondContact O-N 3.32Å; S294-H311 CarbonylContact O-C 3.57Å; S294-H311 VanDerWaalsContact O-CA 3.29Å; S294-H311 WeakPolarHBondContact O-CA 3.38Å; S294-H311 PolarHBondContact O-CD2 2.78Å; S294-H311 VanDerWaalsContact O-CD2 3.27Å; S294-M312 WeakPolarHBondContact O-CG 3.45Å; S294-M312 PolarHBondContact O-N 3.36Å
295	Y	98.7	Very high	98.1	Very high	36 Å²	36	57.8 Å²	57.8	14%	0.141	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	128	175	-79.3	-81.9	0	0	0	111.6	F264 T265 A266 N292 L293 F309 Q310 H311 K318	F264-Y295 HydrophobicContact CD1-CD2 4.47Å; F264-Y295 HydrophobicContact CD1-CG 4.13Å; F264-Y295 HydrophobicContact CE1-CG 4.38Å; T265-Y295 CarbonylContact C-O 3.59Å; T265-Y295 PolarHBondContact O-N 3.26Å; A266-Y295 PolarHBondContact N-O 2.94Å; A266-Y295 VanDerWaalsContact N-O 3.13Å; N292-Y295 HydrophobicContact CB-CD2 4.19Å; L293-Y295 VanDerWaalsContact C-N 3.28Å; L293-Y295 WeakPolarHBondContact O-CD2 3.33Å; L293-Y295 PolarHBondContact O-N 2.85Å; Y295-F309 HydrophobicContact CD1-CB 4.01Å; Y295-F309 HydrophobicContact CG-CB 4.48Å; Y295-Q310 WeakPolarHBondContact CA-O 3.15Å; Y295-H311 HydrophobicContact CD1-CB 3.99Å; Y295-H311 HydrophobicContact CE1-CB 3.65Å; Y295-H311 AromaticContact CE2-CD2 3.83Å; Y295-H311 AromaticContact CZ-CD2 3.77Å; Y295-K318 HydrophobicContact CD1-CB 4.36Å; Y295-K318 HydrophobicContact CE1-CB 3.88Å; Y295-K318 HydrophobicContact CE1-CD 4.17Å
296	N	98.6	Very high	98.1	Very high	28 Å²	28	52.4 Å²	52.4	15%	0.15	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	133.6	178.5	-177	65.6	0	0	0	111	P229 A230 A266 V298 F309 Q310 M312	P229-N296 VanDerWaalsContact CA-OD1 3.27Å; P229-N296 WeakPolarHBondContact CA-OD1 3.33Å; A230-N296 PolarHBondContact N-OD1 3.18Å; A266-N296 HydrophobicContact CB-CB 4.02Å; N296-V298 PolarHBondContact O-N 3.11Å; N296-F309 CarbonylContact O-C 3.59Å; N296-F309 VanDerWaalsContact O-CA 3.25Å; N296-F309 WeakPolarHBondContact O-CA 3.31Å; N296-Q310 PolarHBondContact N-O 3.08Å; N296-Q310 PolarHBondContact O-N 3.02Å; N296-M312 HydrophobicContact CB-SD 3.51Å; N296-M312 VanDerWaalsContact CB-SD 3.51Å
297	L	98.8	Very high	98.2	Very high	7 Å²	7	44.3 Å²	44.3	4%	0.037	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.2	126.4	173.7	-178.1	71.9	0	0	0	109.3	V187 T227 V300 A307 F309 I327	V187-L297 HydrophobicContact CG1-CD2 3.83Å; V187-L297 HydrophobicContact CG1-CG 3.81Å; V187-L297 HydrophobicContact CG2-CD2 4.45Å; T227-L297 HydrophobicContact CG2-CB 4.28Å; T227-L297 HydrophobicContact CG2-CD2 4.11Å; L297-V300 HydrophobicContact CD1-CG2 4.16Å; L297-V300 HydrophobicContact CD2-CG2 4Å; L297-V300 HydrophobicContact CG-CG2 4.43Å; L297-A307 HydrophobicContact CD1-CB 3.9Å; L297-F309 HydrophobicContact CB-CD1 4.05Å; L297-F309 HydrophobicContact CB-CE1 3.76Å; L297-F309 HydrophobicContact CD1-CD1 4.26Å; L297-F309 HydrophobicContact CD1-CE1 3.77Å; L297-F309 HydrophobicContact CD1-CE2 4.15Å; L297-F309 HydrophobicContact CD1-CZ 3.7Å; L297-F309 HydrophobicContact CG-CE1 4.36Å; L297-I327 HydrophobicContact CD2-CG1 4.16Å; L297-I327 HydrophobicContact CD2-CG2 4.21Å
298	V	98.6	Very high	98.3	Very high	37 Å²	37	43.4 Å²	43.4	22%	0.224	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	-25.7	-179.4	-65.6	0	0	0	0	113.1	I188 N296 V308 Q310 L317	I188-V298 PolarHBondContact N-O 3.31Å; N296-V298 PolarHBondContact O-N 3.11Å; V298-V308 HydrophobicContact CG2-CB 4.23Å; V298-V308 HydrophobicContact CG2-CG1 4.15Å; V298-V308 WeakPolarHBondContact CG2-O 3.47Å; V298-V308 PolarHBondContact N-O 2.7Å; V298-Q310 HydrophobicContact CG1-CB 3.8Å; V298-Q310 HydrophobicContact CG2-CB 4.33Å; V298-L317 HydrophobicContact CG2-CD2 4.45Å
299	E	98.8	Very high	98.4	Very high	55 Å²	55	36.9 Å²	36.9	26%	0.257	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.4	147.7	-177.7	177.5	-174.8	171	0	0	111.3	I188 V308	I188-E299 HydrophobicContact CB-CB 4.01Å; I188-E299 HydrophobicContact CB-CG 3.97Å; I188-E299 HydrophobicContact CG2-CG 4.03Å; I188-E299 CarbonylContact O-C 3.45Å; I188-E299 VanDerWaalsContact O-CA 3.31Å; I188-E299 WeakPolarHBondContact O-CA 3.5Å; E299-V308 HydrophobicContact CB-CB 3.94Å; E299-V308 HydrophobicContact CB-CG2 3.92Å; E299-V308 HydrophobicContact CG-CG2 4.12Å; E299-V308 PolarHBondContact N-O 3.25Å; E299-V308 PolarHBondContact O-N 3Å
300	V	98.9	Very high	98.4	Very high	4 Å²	4	39.5 Å²	39.5	2%	0.024	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	113.2	171.2	179.7	0	0	0	0	108.2	V187 I188 A193 L297 Y322 L325 I327	V187-V300 HydrophobicContact CG1-CG2 4.08Å; I188-V300 PolarHBondContact O-N 2.91Å; A193-V300 HydrophobicContact CB-CG1 3.73Å; L297-V300 HydrophobicContact CD1-CG2 4.16Å; L297-V300 HydrophobicContact CD2-CG2 4Å; L297-V300 HydrophobicContact CG-CG2 4.43Å; V300-Y322 HydrophobicContact CG1-CE1 4.09Å; V300-L325 HydrophobicContact CB-CD2 4.4Å; V300-L325 HydrophobicContact CG1-CD2 3.74Å; V300-L325 HydrophobicContact CG2-CD2 3.7Å; V300-I327 HydrophobicContact CG2-CD1 3.88Å
301	D	98.3	Very high	98.4	Very high	51 Å²	51	37.8 Å²	37.8	27%	0.273	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	104.6	170.5	-175.3	-19.3	0	0	0	108.5	Q303 A304 S305 E306	D301-Q303 PolarHBondContact OD1-N 3.33Å; D301-A304 HydrophobicContact CB-CB 4.18Å; D301-A304 VanDerWaalsContact CG-CB 3.5Å; D301-A304 PolarHBondContact OD1-N 3.05Å; D301-A304 WeakPolarHBondContact OD2-CB 3.35Å; D301-S305 CarbonylContact O-C 3.57Å; D301-S305 WeakPolarHBondContact O-CA 3.33Å; D301-S305 PolarHBondContact O-N 3.13Å; D301-E306 PolarHBondContact N-O 3.41Å; D301-E306 PolarHBondContact O-N 2.71Å
302	S	97.3	Very high	98.4	Very high	35 Å²	35	38.6 Å²	38.6	25%	0.245	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.9	-27.7	179.2	58.3	0	0	0	0	113.5	S305 Y322	S302-S305 PolarHBondContact O-N 3.49Å; S302-Y322 WeakPolarHBondContact CA-OH 3.42Å
303	Q	97	Very high	98.3	Very high	184 Å²	184	44.6 Å²	44.6	86%	0.86	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73	-45.5	179	-66	-170.2	-26.2	0	0	110.7	D301 S305	D301-Q303 PolarHBondContact OD1-N 3.33Å; Q303-S305 PolarHBondContact O-N 2.95Å
304	A	97.8	Very high	98.3	Very high	42 Å²	42	45.9 Å²	45.9	35%	0.347	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.8	-11.4	174.7	0	0	0	0	0	113.2	D301 E306	D301-A304 HydrophobicContact CB-CB 4.18Å; D301-A304 VanDerWaalsContact CG-CB 3.5Å; D301-A304 PolarHBondContact OD1-N 3.05Å; D301-A304 WeakPolarHBondContact OD2-CB 3.35Å; A304-E306 VanDerWaalsContact C-N 3.29Å; A304-E306 HydrophobicContact CB-CB 4.31Å; A304-E306 HydrophobicContact CB-CG 4.02Å
305	S	98.4	Very high	98.3	Very high	26 Å²	26	50.6 Å²	50.6	18%	0.182	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	56.6	41.4	-169.7	-50.3	0	0	0	0	112.2	R199 D301 S302 Q303 K321 Y322	R199-S305 PolarHBondContact NH1-OG 2.92Å; R199-S305 PolarHBondContact NH2-OG 3.17Å; D301-S305 CarbonylContact O-C 3.57Å; D301-S305 WeakPolarHBondContact O-CA 3.33Å; D301-S305 PolarHBondContact O-N 3.13Å; S302-S305 PolarHBondContact O-N 3.49Å; Q303-S305 PolarHBondContact O-N 2.95Å; S305-K321 CarbonylContact O-C 3.41Å; S305-K321 WeakPolarHBondContact O-CA 3.37Å; S305-Y322 WeakPolarHBondContact O-CD1 3.36Å; S305-Y322 PolarHBondContact O-N 3.48Å
306	E	98.7	Very high	98.2	Very high	43 Å²	43	54.4 Å²	54.4	20%	0.201	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	139.9	-176.8	-69.3	-167.3	161.3	0	0	112.7	D301 A304 R319 I320 K321 Y322	D301-E306 PolarHBondContact N-O 3.41Å; D301-E306 PolarHBondContact O-N 2.71Å; A304-E306 VanDerWaalsContact C-N 3.29Å; A304-E306 HydrophobicContact CB-CB 4.31Å; A304-E306 HydrophobicContact CB-CG 4.02Å; E306-R319 IonicContact OE2-NH1 2.66Å; E306-I320 WeakPolarHBondContact CA-O 3.49Å; E306-K321 HydrophobicContact CG-CG 3.93Å; E306-Y322 VanDerWaalsContact C-CE1 3.48Å; E306-Y322 WeakPolarHBondContact O-CE1 3.46Å
307	A	98.8	Very high	98.2	Very high	0 Å²	0	57.5 Å²	57.5	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	132	167.7	0	0	0	0	0	108.9	L297 F309 I320 Y322 L325	L297-A307 HydrophobicContact CD1-CB 3.9Å; A307-F309 HydrophobicContact CB-CD2 4.44Å; A307-F309 HydrophobicContact CB-CE2 3.58Å; A307-F309 HydrophobicContact CB-CZ 4.07Å; A307-I320 HydrophobicContact CB-CG2 4.16Å; A307-I320 PolarHBondContact N-O 3.49Å; A307-I320 PolarHBondContact O-N 3.36Å; A307-Y322 HydrophobicContact CB-CD1 4.08Å; A307-L325 HydrophobicContact CB-CD1 4.36Å; A307-L325 HydrophobicContact CB-CD2 4.27Å
308	V	98.8	Very high	98.2	Very high	0 Å²	0	60.4 Å²	60.4	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	126.4	179.9	-165.3	0	0	0	0	109.4	V298 E299 L317 R319	V298-V308 HydrophobicContact CG2-CB 4.23Å; V298-V308 HydrophobicContact CG2-CG1 4.15Å; V298-V308 WeakPolarHBondContact CG2-O 3.47Å; V298-V308 PolarHBondContact N-O 2.7Å; E299-V308 HydrophobicContact CB-CB 3.94Å; E299-V308 HydrophobicContact CB-CG2 3.92Å; E299-V308 HydrophobicContact CG-CG2 4.12Å; E299-V308 PolarHBondContact N-O 3.25Å; E299-V308 PolarHBondContact O-N 3Å; V308-L317 HydrophobicContact CG1-CB 4.4Å; V308-L317 HydrophobicContact CG1-CD2 4.36Å; V308-R319 HydrophobicContact CG1-CG 4.22Å; V308-R319 HydrophobicContact CG2-CG 4.27Å
309	F	98.8	Very high	98.2	Very high	0 Å²	0	64.8 Å²	64.8	0%	0	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	141	179.3	-63.8	-91	0	0	0	110.1	V225 T227 F264 Y295 N296 L297 A307 L317 K318 I320	V225-F309 HydrophobicContact CG1-CE2 4.15Å; V225-F309 HydrophobicContact CG1-CZ 3.7Å; T227-F309 HydrophobicContact CG2-CE1 3.66Å; T227-F309 HydrophobicContact CG2-CZ 3.77Å; F264-F309 HydrophobicContact CB-CD1 3.62Å; F264-F309 HydrophobicContact CB-CE1 3.24Å; F264-F309 HydrophobicContact CB-CG 4.5Å; F264-F309 HydrophobicContact CB-CZ 3.86Å; F264-F309 HydrophobicContact CD1-CB 4.23Å; F264-F309 AromaticContact CD1-CD1 3.59Å; F264-F309 HydrophobicContact CD1-CD1 3.59Å; F264-F309 AromaticContact CD1-CD2 3.99Å; F264-F309 HydrophobicContact CD1-CD2 3.99Å; F264-F309 AromaticContact CD1-CE1 3.89Å; F264-F309 HydrophobicContact CD1-CE1 3.89Å; F264-F309 HydrophobicContact CD1-CE2 4.25Å; F264-F309 AromaticContact CD1-CG 3.65Å; F264-F309 HydrophobicContact CD1-CG 3.65Å; F264-F309 HydrophobicContact CD1-CZ 4.21Å; F264-F309 HydrophobicContact CD2-CD1 4.43Å; F264-F309 HydrophobicContact CD2-CD2 4.41Å; F264-F309 AromaticContact CD2-CE1 3.91Å; F264-F309 HydrophobicContact CD2-CE1 3.91Å; F264-F309 AromaticContact CD2-CE2 3.89Å; F264-F309 HydrophobicContact CD2-CE2 3.89Å; F264-F309 AromaticContact CD2-CZ 3.61Å; F264-F309 HydrophobicContact CD2-CZ 3.61Å; F264-F309 HydrophobicContact CE1-CB 4.37Å; F264-F309 HydrophobicContact CE1-CD1 4.35Å; F264-F309 AromaticContact CE1-CD2 3.95Å; F264-F309 HydrophobicContact CE1-CD2 3.95Å; F264-F309 HydrophobicContact CE1-CE2 4.34Å; F264-F309 AromaticContact CE1-CG 3.95Å; F264-F309 HydrophobicContact CE1-CG 3.95Å; F264-F309 HydrophobicContact CE2-CD2 4.35Å; F264-F309 AromaticContact CE2-CE2 3.96Å; F264-F309 HydrophobicContact CE2-CE2 3.96Å; F264-F309 HydrophobicContact CE2-CZ 4.16Å; F264-F309 AromaticContact CG-CD1 3.63Å; F264-F309 HydrophobicContact CG-CD1 3.63Å; F264-F309 HydrophobicContact CG-CD2 4.23Å; F264-F309 AromaticContact CG-CE1 3.42Å; F264-F309 HydrophobicContact CG-CE1 3.42Å; F264-F309 VanDerWaalsContact CG-CE1 3.42Å; F264-F309 HydrophobicContact CG-CE2 4.03Å; F264-F309 HydrophobicContact CG-CG 4.04Å; F264-F309 AromaticContact CG-CZ 3.63Å; F264-F309 HydrophobicContact CG-CZ 3.63Å; F264-F309 HydrophobicContact CZ-CD2 4.13Å; F264-F309 HydrophobicContact CZ-CE2 4.19Å; Y295-F309 HydrophobicContact CD1-CB 4.01Å; Y295-F309 HydrophobicContact CG-CB 4.48Å; N296-F309 CarbonylContact O-C 3.59Å; N296-F309 VanDerWaalsContact O-CA 3.25Å; N296-F309 WeakPolarHBondContact O-CA 3.31Å; L297-F309 HydrophobicContact CB-CD1 4.05Å; L297-F309 HydrophobicContact CB-CE1 3.76Å; L297-F309 HydrophobicContact CD1-CD1 4.26Å; L297-F309 HydrophobicContact CD1-CE1 3.77Å; L297-F309 HydrophobicContact CD1-CE2 4.15Å; L297-F309 HydrophobicContact CD1-CZ 3.7Å; L297-F309 HydrophobicContact CG-CE1 4.36Å; A307-F309 HydrophobicContact CB-CD2 4.44Å; A307-F309 HydrophobicContact CB-CE2 3.58Å; A307-F309 HydrophobicContact CB-CZ 4.07Å; F309-L317 CarbonylContact O-C 3.6Å; F309-L317 VanDerWaalsContact O-CA 3.31Å; F309-L317 WeakPolarHBondContact O-CA 3.39Å; F309-K318 PolarHBondContact N-O 3.15Å; F309-K318 PolarHBondContact O-N 3.41Å; F309-I320 HydrophobicContact CD2-CG2 4.17Å; F309-I320 HydrophobicContact CE2-CG2 3.63Å
310	Q	98.7	Very high	98.2	Very high	66 Å²	66	63 Å²	63	31%	0.308	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	129.2	171.4	-176.6	173.7	74.5	0	0	109.8	Y295 N296 V298 K315 E316 L317	Y295-Q310 WeakPolarHBondContact CA-O 3.15Å; N296-Q310 PolarHBondContact N-O 3.08Å; N296-Q310 PolarHBondContact O-N 3.02Å; V298-Q310 HydrophobicContact CG1-CB 3.8Å; V298-Q310 HydrophobicContact CG2-CB 4.33Å; Q310-K315 HydrophobicContact CG-CB 4.49Å; Q310-K315 HydrophobicContact CG-CD 4.49Å; Q310-E316 CarbonylContact C-O 3.59Å; Q310-E316 WeakPolarHBondContact CA-O 3.33Å; Q310-L317 HydrophobicContact CB-CD2 3.82Å; Q310-L317 HydrophobicContact CG-CD2 4.07Å
311	H	98.6	Very high	98.2	Very high	29 Å²	29	69.2 Å²	69.2	13%	0.134	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	134.7	172.1	-172.5	-92.6	0	0	0	110.4	S294 Y295 E313 T314 K315 E316	S294-H311 CarbonylContact O-C 3.57Å; S294-H311 VanDerWaalsContact O-CA 3.29Å; S294-H311 WeakPolarHBondContact O-CA 3.38Å; S294-H311 PolarHBondContact O-CD2 2.78Å; S294-H311 VanDerWaalsContact O-CD2 3.27Å; Y295-H311 HydrophobicContact CD1-CB 3.99Å; Y295-H311 HydrophobicContact CE1-CB 3.65Å; Y295-H311 AromaticContact CE2-CD2 3.83Å; Y295-H311 AromaticContact CZ-CD2 3.77Å; H311-E313 VanDerWaalsContact C-N 3.32Å; H311-E313 PolarHBondContact ND1-N 3.39Å; H311-E313 PolarHBondContact O-N 3.37Å; H311-T314 VanDerWaalsContact CB-OG1 3.3Å; H311-T314 WeakPolarHBondContact CB-OG1 3.31Å; H311-T314 VanDerWaalsContact CG-OG1 3.3Å; H311-T314 PolarHBondContact ND1-N 3.35Å; H311-T314 VanDerWaalsContact ND1-N 3.15Å; H311-T314 PolarHBondContact ND1-OG1 2.95Å; H311-K315 VanDerWaalsContact O-CA 3.27Å; H311-K315 WeakPolarHBondContact O-CA 3.47Å; H311-K315 PolarHBondContact O-N 2.97Å; H311-K315 VanDerWaalsContact O-N 3.1Å; H311-E316 HydrophobicContact CB-CB 4.33Å; H311-E316 PolarHBondContact N-O 3.1Å
312	M	97.7	Very high	98.2	Very high	62 Å²	62	66.8 Å²	66.8	31%	0.305	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-33.2	-168.8	-69.4	-58.1	-67.7	0	0	113.3	A230 A266 S294 N296 K315	A230-M312 HydrophobicContact CB-CE 3.66Å; A230-M312 HydrophobicContact CB-SD 4.28Å; A266-M312 HydrophobicContact CB-CG 4.23Å; A266-M312 HydrophobicContact CB-SD 4.01Å; A266-M312 WeakPolarHBondContact O-CG 3.46Å; S294-M312 WeakPolarHBondContact O-CG 3.45Å; S294-M312 PolarHBondContact O-N 3.36Å; N296-M312 HydrophobicContact CB-SD 3.51Å; N296-M312 VanDerWaalsContact CB-SD 3.51Å; M312-K315 PolarHBondContact O-NZ 2.98Å
313	E	97.1	Very high	98.3	Very high	150 Å²	150	68.4 Å²	68.4	70%	0.701	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.8	-67.6	-178.2	-60.1	175.5	177.6	0	0	111.3	H311 K315	H311-E313 VanDerWaalsContact C-N 3.32Å; H311-E313 PolarHBondContact ND1-N 3.39Å; H311-E313 PolarHBondContact O-N 3.37Å; E313-K315 PolarHBondContact O-N 2.82Å; E313-K315 VanDerWaalsContact O-N 3.15Å
314	T	97.7	Very high	98.3	Very high	91 Å²	91	59.7 Å²	59.7	56%	0.558	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.9	-16.2	-178.9	66.6	0	0	0	0	115.6	H311 E316	H311-T314 VanDerWaalsContact CB-OG1 3.3Å; H311-T314 WeakPolarHBondContact CB-OG1 3.31Å; H311-T314 VanDerWaalsContact CG-OG1 3.3Å; H311-T314 PolarHBondContact ND1-N 3.35Å; H311-T314 VanDerWaalsContact ND1-N 3.15Å; H311-T314 PolarHBondContact ND1-OG1 2.95Å; T314-E316 PolarHBondContact O-N 3.31Å; T314-E316 VanDerWaalsContact O-N 3.09Å; T314-E316 WeakPolarHBondContact OG1-CB 3.46Å; T314-E316 PolarHBondContact OG1-N 3.1Å
315	K	97.8	Very high	98.4	Very high	117 Å²	117	57.7 Å²	57.7	51%	0.509	27%	0.274	S	S	.	.			trans	61.2	8.7	-174.5	-50.3	-53.1	-177	-171.5	0	115.5	Q310 H311 M312 E313	Q310-K315 HydrophobicContact CG-CB 4.49Å; Q310-K315 HydrophobicContact CG-CD 4.49Å; H311-K315 VanDerWaalsContact O-CA 3.27Å; H311-K315 WeakPolarHBondContact O-CA 3.47Å; H311-K315 PolarHBondContact O-N 2.97Å; H311-K315 VanDerWaalsContact O-N 3.1Å; M312-K315 PolarHBondContact O-NZ 2.98Å; E313-K315 PolarHBondContact O-N 2.82Å; E313-K315 VanDerWaalsContact O-N 3.15Å
316	E	98	Very high	98.4	Very high	116 Å²	116	56.5 Å²	56.5	54%	0.542	27%	0.265	S	S	.	.			trans	-58	136.9	175	-173.7	-170.8	164.5	0	0	111	Q310 H311 T314	Q310-E316 CarbonylContact C-O 3.59Å; Q310-E316 WeakPolarHBondContact CA-O 3.33Å; H311-E316 HydrophobicContact CB-CB 4.33Å; H311-E316 PolarHBondContact N-O 3.1Å; T314-E316 PolarHBondContact O-N 3.31Å; T314-E316 VanDerWaalsContact O-N 3.09Å; T314-E316 WeakPolarHBondContact OG1-CB 3.46Å; T314-E316 PolarHBondContact OG1-N 3.1Å
317	L	98.5	Very high	98.4	Very high	92 Å²	92	54.4 Å²	54.4	48%	0.482	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	130.3	174.7	-62.1	-178.1	0	0	0	110.7	V298 V308 F309 Q310	V298-L317 HydrophobicContact CG2-CD2 4.45Å; V308-L317 HydrophobicContact CG1-CB 4.4Å; V308-L317 HydrophobicContact CG1-CD2 4.36Å; F309-L317 CarbonylContact O-C 3.6Å; F309-L317 VanDerWaalsContact O-CA 3.31Å; F309-L317 WeakPolarHBondContact O-CA 3.39Å; Q310-L317 HydrophobicContact CB-CD2 3.82Å; Q310-L317 HydrophobicContact CG-CD2 4.07Å
318	K	98.5	Very high	98.4	Very high	68 Å²	68	54.5 Å²	54.5	30%	0.296	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	126.3	173.5	-178.5	169.6	178.4	178.3	0	109.3	F264 N292 Y295 F309	F264-K318 HydrophobicContact CE1-CD 4.09Å; F264-K318 HydrophobicContact CZ-CD 4.42Å; N292-K318 PolarHBondContact OD1-NZ 2.75Å; Y295-K318 HydrophobicContact CD1-CB 4.36Å; Y295-K318 HydrophobicContact CE1-CB 3.88Å; Y295-K318 HydrophobicContact CE1-CD 4.17Å; F309-K318 PolarHBondContact N-O 3.15Å; F309-K318 PolarHBondContact O-N 3.41Å
319	R	98.5	Very high	98.3	Very high	129 Å²	129	54.5 Å²	54.5	49%	0.487	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	139.5	175.6	-64.2	179.3	176.7	-90.2	-7.8	109.7	E306 V308	E306-R319 IonicContact OE2-NH1 2.66Å; V308-R319 HydrophobicContact CG1-CG 4.22Å; V308-R319 HydrophobicContact CG2-CG 4.27Å
320	I	98.6	Very high	98.3	Very high	19 Å²	19	55.5 Å²	55.5	10%	0.097	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	130.4	173.4	-167.8	171.4	0	0	0	109.7	V225 H262 F264 E306 A307 F309	V225-I320 HydrophobicContact CG2-CD1 4.29Å; V225-I320 HydrophobicContact CG2-CG2 4.17Å; H262-I320 HydrophobicContact CB-CD1 4.39Å; F264-I320 HydrophobicContact CE2-CD1 4.15Å; F264-I320 HydrophobicContact CE2-CG2 4.25Å; F264-I320 HydrophobicContact CZ-CD1 4.36Å; F264-I320 HydrophobicContact CZ-CG2 4.43Å; E306-I320 WeakPolarHBondContact CA-O 3.49Å; A307-I320 HydrophobicContact CB-CG2 4.16Å; A307-I320 PolarHBondContact N-O 3.49Å; A307-I320 PolarHBondContact O-N 3.36Å; F309-I320 HydrophobicContact CD2-CG2 4.17Å; F309-I320 HydrophobicContact CE2-CG2 3.63Å
321	K	98.6	Very high	98.2	Very high	133 Å²	133	52.8 Å²	52.8	58%	0.578	25%	0.25	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-67.7	136.9	168.1	-71.4	-171.2	175.6	-171.5	0	109.8	N223 S305 E306	N223-K321 WeakPolarHBondContact CB-O 3.25Å; N223-K321 PolarHBondContact ND2-O 3.39Å; S305-K321 CarbonylContact O-C 3.41Å; S305-K321 WeakPolarHBondContact O-CA 3.37Å; E306-K321 HydrophobicContact CG-CG 3.93Å
322	Y	98.7	Very high	98.1	Very high	1 Å²	1	53 Å²	53	0%	0.004	26%	0.255	C	S	.	.			trans	-118.4	143.1	176.4	65.8	-98.4	0	0	0	111.7	R199 V200 V300 S302 S305 E306 A307 L325	R199-Y322 HydrophobicContact CB-CE2 4.45Å; V200-Y322 HydrophobicContact CG2-CE2 3.57Å; V200-Y322 WeakPolarHBondContact CG2-OH 3.47Å; V300-Y322 HydrophobicContact CG1-CE1 4.09Å; S302-Y322 WeakPolarHBondContact CA-OH 3.42Å; S305-Y322 WeakPolarHBondContact O-CD1 3.36Å; S305-Y322 PolarHBondContact O-N 3.48Å; E306-Y322 VanDerWaalsContact C-CE1 3.48Å; E306-Y322 WeakPolarHBondContact O-CE1 3.46Å; A307-Y322 HydrophobicContact CB-CD1 4.08Å; Y322-L325 HydrophobicContact CD1-CB 4.28Å; Y322-L325 HydrophobicContact CD1-CD2 4.11Å; Y322-L325 HydrophobicContact CD2-CB 3.76Å; Y322-L325 HydrophobicContact CE1-CD2 3.99Å; Y322-L325 HydrophobicContact CE2-CB 4.17Å; Y322-L325 HydrophobicContact CG-CB 3.83Å
323	D	98.4	Very high	97.9	Very high	68 Å²	68	50.6 Å²	50.6	36%	0.364	24%	0.244	S	C	.	.	S	Bend	trans	-106.8	-16.3	168	-58.6	-81	0	0	0	110.5	F219 G221 G222 N223	F219-D323 HydrophobicContact CD2-CB 4.44Å; F219-D323 HydrophobicContact CE2-CB 3.79Å; G221-D323 WeakPolarHBondContact O-CB 3.49Å; G222-D323 VanDerWaalsContact CA-OD2 3.24Å; G222-D323 WeakPolarHBondContact CA-OD2 3.42Å; N223-D323 PolarHBondContact N-OD2 3.38Å; N223-D323 PolarHBondContact O-N 2.83Å
324	F	98.6	Very high	97.8	Very high	1 Å²	1	44 Å²	44	0%	0.004	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	134.9	166.3	170.8	-93	0	0	0	109.2	C201 T212 A215 Y216 F219 N223 A224 V225 F226 F246 H326	C201-F324 HydrophobicContact CB-CE2 4.4Å; T212-F324 HydrophobicContact CG2-CZ 4.37Å; A215-F324 HydrophobicContact CB-CD2 3.76Å; A215-F324 HydrophobicContact CB-CE2 3.65Å; Y216-F324 HydrophobicContact CD1-CE2 4.04Å; Y216-F324 HydrophobicContact CD1-CZ 4.16Å; Y216-F324 HydrophobicContact CE1-CE1 4.36Å; Y216-F324 HydrophobicContact CE1-CE2 4.06Å; Y216-F324 AromaticContact CE1-CZ 3.7Å; Y216-F324 HydrophobicContact CE1-CZ 3.7Å; F219-F324 HydrophobicContact CD2-CB 3.67Å; F219-F324 HydrophobicContact CE2-CB 3.84Å; N223-F324 PolarHBondContact O-N 2.87Å; N223-F324 VanDerWaalsContact O-N 3.11Å; A224-F324 HydrophobicContact CB-CB 4.28Å; A224-F324 HydrophobicContact CB-CD1 4.1Å; V225-F324 PolarHBondContact N-O 3.46Å; F226-F324 HydrophobicContact CD1-CE1 4.18Å; F226-F324 HydrophobicContact CE1-CD1 4.27Å; F226-F324 AromaticContact CE1-CE1 3.4Å; F226-F324 HydrophobicContact CE1-CE1 3.4Å; F226-F324 HydrophobicContact CE1-CZ 4.2Å; F226-F324 HydrophobicContact CE2-CD1 4.33Å; F226-F324 HydrophobicContact CE2-CE1 4.23Å; F226-F324 AromaticContact CZ-CD1 3.85Å; F226-F324 HydrophobicContact CZ-CD1 3.85Å; F226-F324 AromaticContact CZ-CE1 3.4Å; F226-F324 HydrophobicContact CZ-CE1 3.4Å; F226-F324 VanDerWaalsContact CZ-CE1 3.4Å; F226-F324 HydrophobicContact CZ-CZ 4.44Å; F246-F324 HydrophobicContact CE2-CD1 4.46Å; F246-F324 HydrophobicContact CE2-CG 4.44Å; F324-H326 HydrophobicContact CE1-CB 3.81Å; F324-H326 HydrophobicContact CZ-CB 3.92Å
325	L	98.9	Very high	97.7	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	119.2	176.9	174.7	64.3	0	0	0	110.5	R199 V200 C201 V225 T227 V300 A307 Y322 I327	R199-L325 PolarHBondContact O-N 3.11Å; V200-L325 CarbonylContact C-O 3.52Å; V200-L325 WeakPolarHBondContact CA-O 3.17Å; V200-L325 HydrophobicContact CG1-CD2 4.22Å; V200-L325 HydrophobicContact CG1-CG 4.48Å; V200-L325 HydrophobicContact CG2-CB 4.26Å; V200-L325 HydrophobicContact CG2-CD2 4.3Å; C201-L325 PolarHBondContact N-O 3.38Å; V225-L325 HydrophobicContact CB-CD1 3.81Å; V225-L325 HydrophobicContact CG1-CD1 3.68Å; V225-L325 CarbonylContact O-C 3.59Å; V225-L325 WeakPolarHBondContact O-CA 3.32Å; T227-L325 HydrophobicContact CG2-CD1 4.09Å; V300-L325 HydrophobicContact CB-CD2 4.4Å; V300-L325 HydrophobicContact CG1-CD2 3.74Å; V300-L325 HydrophobicContact CG2-CD2 3.7Å; A307-L325 HydrophobicContact CB-CD1 4.36Å; A307-L325 HydrophobicContact CB-CD2 4.27Å; Y322-L325 HydrophobicContact CD1-CB 4.28Å; Y322-L325 HydrophobicContact CD1-CD2 4.11Å; Y322-L325 HydrophobicContact CD2-CB 3.76Å; Y322-L325 HydrophobicContact CE1-CD2 3.99Å; Y322-L325 HydrophobicContact CE2-CB 4.17Å; Y322-L325 HydrophobicContact CG-CB 3.83Å; L325-I327 HydrophobicContact CD2-CD1 4.22Å; L325-I327 HydrophobicContact CD2-CG1 4.04Å; L325-I327 HydrophobicContact CG-CG1 3.97Å
326	H	98.8	Very high	97.6	Very high	1 Å²	1	40.9 Å²	40.9	1%	0.005	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	113.7	169.1	-177.7	-77	0	0	0	110.9	C201 N203 Y204 V225 F226 T227 F324	C201-H326 CarbonylContact O-C 3.59Å; C201-H326 WeakPolarHBondContact O-CA 3.36Å; N203-H326 PolarHBondContact N-NE2 2.87Å; Y204-H326 AromaticContact CE2-CE1 3.97Å; V225-H326 PolarHBondContact O-N 2.74Å; F226-H326 HydrophobicContact CD1-CB 3.71Å; F226-H326 HydrophobicContact CE1-CB 4.09Å; T227-H326 PolarHBondContact N-O 3.48Å; T227-H326 PolarHBondContact OG1-O 3.16Å; F324-H326 HydrophobicContact CE1-CB 3.81Å; F324-H326 HydrophobicContact CZ-CB 3.92Å
327	I	98.7	Very high	97.6	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	17%	0.169	C	C	.	.			trans	-89.6	120.4	178.6	-57.5	179.1	0	0	0	110	Y184 A190 L194 V200 C201 S202 L297 V300 L325	Y184-I327 HydrophobicContact CD1-CG2 4.44Å; A190-I327 HydrophobicContact CB-CD1 3.86Å; L194-I327 HydrophobicContact CD1-CD1 4.39Å; L194-I327 HydrophobicContact CG-CD1 4.25Å; V200-I327 HydrophobicContact CG1-CD1 3.53Å; V200-I327 HydrophobicContact CG1-CG1 4.04Å; C201-I327 PolarHBondContact O-N 2.68Å; S202-I327 WeakPolarHBondContact CB-O 3.44Å; S202-I327 PolarHBondContact OG-O 3.21Å; L297-I327 HydrophobicContact CD2-CG1 4.16Å; L297-I327 HydrophobicContact CD2-CG2 4.21Å; V300-I327 HydrophobicContact CG2-CD1 3.88Å; L325-I327 HydrophobicContact CD2-CD1 4.22Å; L325-I327 HydrophobicContact CD2-CG1 4.04Å; L325-I327 HydrophobicContact CG-CG1 3.97Å
328	T	98.5	Very high	97.3	Very high	2 Å²	2	34.1 Å²	34.1	1%	0.012	17%	0.166	C	C	.	.			trans	-90.4	114.6	156.7	-58.8	0	0	0	0	108.2	Y204 T227 P229 I233 P239 M331	Y204-T328 HydrophobicContact CE1-CG2 4.29Å; Y204-T328 HydrophobicContact CE2-CG2 3.75Å; Y204-T328 WeakPolarHBondContact OH-CG2 3.37Å; T227-T328 WeakPolarHBondContact O-CB 3.47Å; T227-T328 PolarHBondContact O-OG1 2.53Å; T227-T328 PolarHBondContact OG1-N 3.32Å; T227-T328 VanDerWaalsContact OG1-N 3.09Å; P229-T328 WeakPolarHBondContact CD-O 3.46Å; P229-T328 HydrophobicContact CG-CG2 3.99Å; I233-T328 HydrophobicContact CD1-CG2 3.56Å; P239-T328 HydrophobicContact CG-CG2 3.93Å; P239-T328 WeakPolarHBondContact CG-OG1 3.4Å; T328-M331 HydrophobicContact CG2-CE 4.22Å
329	P	97.7	Very high	97.1	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	18%	0.179	C	C	.	.			trans	-68	144.4	-178.3	27.6	-34.3	0	0	0	110.9	L182 Y184 Y204 M331	L182-P329 HydrophobicContact CB-CB 4.5Å; L182-P329 HydrophobicContact CB-CG 4.17Å; L182-P329 HydrophobicContact CD2-CG 4.01Å; L182-P329 HydrophobicContact CG-CG 4.48Å; Y184-P329 HydrophobicContact CD1-CB 3.6Å; Y184-P329 HydrophobicContact CD1-CG 4.2Å; Y184-P329 HydrophobicContact CD2-CB 4.2Å; Y184-P329 HydrophobicContact CE1-CB 3.59Å; Y184-P329 HydrophobicContact CE1-CG 3.67Å; Y184-P329 HydrophobicContact CE2-CB 4.2Å; Y184-P329 HydrophobicContact CE2-CG 4.08Å; Y184-P329 HydrophobicContact CG-CB 3.91Å; Y204-P329 HydrophobicContact CG-CG 4.21Å; P329-M331 HydrophobicContact CG-CE 4.37Å; P329-M331 WeakPolarHBondContact O-CG 3.41Å
330	P	97.9	Very high	97.1	Very high	20 Å²	20	31.3 Å²	31.3	13%	0.13	16%	0.158	C	C	.	.			trans	-49.3	150.3	158.8	-25.9	35.2	0	0	0	110.7	R183 K186 V187 P229	R183-P330 WeakPolarHBondContact CA-O 3.34Å; R183-P330 HydrophobicContact CB-CB 4.39Å; R183-P330 WeakPolarHBondContact CB-O 3.46Å; R183-P330 PolarHBondContact N-O 3.28Å; R183-P330 WeakPolarHBondContact O-CD 3.25Å; K186-P330 HydrophobicContact CB-CB 4.11Å; K186-P330 HydrophobicContact CB-CG 3.96Å; V187-P330 HydrophobicContact CG2-CG 3.95Å; P229-P330 HydrophobicContact CB-CB 4.46Å; P229-P330 HydrophobicContact CB-CG 4.07Å
331	M	96.8	Very high	97	Very high	10 Å²	10	34.6 Å²	34.6	5%	0.049	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	148.3	-179.1	-46.2	-179.5	-171.5	0	0	110.7	I180 T181 L182 Y204 P232 I233 K234 T328 P329	I180-M331 HydrophobicContact CD1-CB 3.44Å; I180-M331 VanDerWaalsContact CD1-CB 3.44Å; I180-M331 HydrophobicContact CD1-CG 4.38Å; I180-M331 HydrophobicContact CD1-SD 4.17Å; I180-M331 HydrophobicContact CG1-CB 3.86Å; I180-M331 HydrophobicContact CG2-SD 4.41Å; T181-M331 CarbonylContact O-C 3.58Å; T181-M331 WeakPolarHBondContact O-CA 3.34Å; T181-M331 WeakPolarHBondContact O-CB 3.29Å; L182-M331 HydrophobicContact CD2-CE 3.94Å; L182-M331 HydrophobicContact CD2-CG 4Å; L182-M331 HydrophobicContact CD2-SD 3.93Å; Y204-M331 HydrophobicContact CD1-CE 3.57Å; Y204-M331 HydrophobicContact CE1-CE 3.37Å; P232-M331 WeakPolarHBondContact O-CB 3.27Å; I233-M331 HydrophobicContact CB-SD 4.47Å; I233-M331 HydrophobicContact CD1-CE 4.27Å; I233-M331 HydrophobicContact CG1-CE 3.73Å; I233-M331 HydrophobicContact CG1-SD 4.07Å; K234-M331 HydrophobicContact CB-SD 4.28Å; K234-M331 HydrophobicContact CG-CE 3.99Å; K234-M331 HydrophobicContact CG-SD 3.84Å; K234-M331 PolarHBondContact N-SD 3.48Å; K234-M331 VanDerWaalsContact N-SD 3.35Å; T328-M331 HydrophobicContact CG2-CE 4.22Å; P329-M331 HydrophobicContact CG-CE 4.37Å; P329-M331 WeakPolarHBondContact O-CG 3.41Å
332	C	95.8	Very high	96.9	Very high	34 Å²	34	34.1 Å²	34.1	23%	0.23	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140	169.1	-179.7	70.6	0	0	0	0	111.7	I180 T181 R183	I180-C332 WeakPolarHBondContact CG1-O 3.19Å; T181-C332 PolarHBondContact N-O 3.5Å; T181-C332 PolarHBondContact O-N 2.96Å; R183-C332 HydrophobicContact CG-CB 4.29Å; R183-C332 WeakPolarHBondContact CG-SG 3.35Å
333	C	94.3	Very high	96.8	Very high	10 Å²	10	34 Å²	34	7%	0.068	18%	0.178	C	C	.	.			trans	-59.1	149.9	171.5	59	0	0	0	0	111.1	T338 C349 Y351	C333-T338 WeakPolarHBondContact SG-CG2 3.06Å; C333-C349 WeakPolarHBondContact CB-O 3.48Å; C333-C349 PolarHBondContact SG-O 3.36Å; C333-Y351 HydrophobicContact CB-CD1 3.83Å; C333-Y351 HydrophobicContact CB-CE1 3.69Å; C333-Y351 HydrophobicContact CB-CG 4.43Å; C333-Y351 PolarHBondContact N-OH 3.16Å
334	P	95.3	Very high	96.8	Very high	11 Å²	11	31.4 Å²	31.4	7%	0.071	16%	0.164	C	C	.	.			trans	-55.7	139.1	171.2	-29.4	37.5	0	0	0	112.8	L178 T181 I336 L337	L178-P334 HydrophobicContact CB-CB 4.33Å; L178-P334 HydrophobicContact CB-CG 3.85Å; T181-P334 WeakPolarHBondContact OG1-CA 3.16Å; P334-I336 HydrophobicContact CB-CG2 4.14Å; P334-I336 PolarHBondContact O-N 2.85Å; P334-I336 VanDerWaalsContact O-N 3.12Å; P334-L337 WeakPolarHBondContact O-CB 3.13Å; P334-L337 PolarHBondContact O-N 3.01Å
335	E	94.9	Very high	96.7	Very high	124 Å²	124	33.3 Å²	33.3	58%	0.579	17%	0.174	S	C	*	.	H	α-helix	trans	-55	-36.7	-175.4	-173	-172.6	-178.2	0	0	112.8	L337 T338 K339	E335-L337 PolarHBondContact O-N 3.41Å; E335-T338 PolarHBondContact O-N 2.58Å; E335-T338 PolarHBondContact O-OG1 2.74Å; E335-K339 VanDerWaalsContact CD-NZ 3.32Å; E335-K339 HydrophobicContact CG-CD 4.3Å; E335-K339 PolarHBondContact O-N 2.66Å; E335-K339 WeakPolarHBondContact OE1-CE 3.04Å; E335-K339 IonicContact OE1-NZ 3.81Å; E335-K339 PolarHBondContact OE1-NZ 3.44Å; E335-K339 IonicContact OE2-NZ 3.45Å
336	I	96	Very high	96.4	Very high	19 Å²	19	37.9 Å²	37.9	10%	0.097	20%	0.204	C	C	.	.	H	α-helix	trans	-58.2	-31.2	177.9	-171.6	57.8	0	0	0	113.3	I151 T152 I154 L178 P334 T340	I151-I336 HydrophobicContact CD1-CD1 4.44Å; I151-I336 HydrophobicContact CD1-CG1 3.64Å; I151-I336 HydrophobicContact CD1-CG2 4.38Å; I151-I336 HydrophobicContact CG1-CG1 4.09Å; T152-I336 VanDerWaalsContact C-CD1 3.47Å; T152-I336 VanDerWaalsContact O-CD1 3.29Å; T152-I336 WeakPolarHBondContact O-CD1 3.35Å; I154-I336 HydrophobicContact CD1-CG1 3.98Å; I154-I336 HydrophobicContact CG1-CG1 4.16Å; L178-I336 HydrophobicContact CD1-CG2 3.75Å; L178-I336 HydrophobicContact CD2-CG2 4.18Å; P334-I336 HydrophobicContact CB-CG2 4.14Å; P334-I336 PolarHBondContact O-N 2.85Å; P334-I336 VanDerWaalsContact O-N 3.12Å; I336-T340 WeakPolarHBondContact O-CB 3.44Å; I336-T340 PolarHBondContact O-N 2.86Å; I336-T340 PolarHBondContact O-OG1 3.13Å
337	L	97.1	Very high	96.2	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-73.6	-42.7	175.6	-65.2	-174.2	0	0	0	111.1	L176 L178 P334 E335 K339 T340 T344 V352 C373	L176-L337 HydrophobicContact CD1-CD2 4.43Å; L178-L337 HydrophobicContact CD1-CD1 4.2Å; L178-L337 HydrophobicContact CD1-CD2 3.66Å; L178-L337 HydrophobicContact CD1-CG 3.83Å; P334-L337 WeakPolarHBondContact O-CB 3.13Å; P334-L337 PolarHBondContact O-N 3.01Å; E335-L337 PolarHBondContact O-N 3.41Å; L337-K339 PolarHBondContact O-N 3.45Å; L337-T340 CarbonylContact O-C 3.47Å; L337-T340 VanDerWaalsContact O-C 3.26Å; L337-T340 WeakPolarHBondContact O-CA 3.47Å; L337-T340 PolarHBondContact O-N 3.39Å; L337-T344 HydrophobicContact CB-CG2 3.74Å; L337-T344 HydrophobicContact CD2-CG2 4.4Å; L337-T344 WeakPolarHBondContact O-CG2 3.21Å; L337-V352 HydrophobicContact CD1-CG2 3.67Å; L337-V352 HydrophobicContact CD2-CG2 3.73Å; L337-V352 HydrophobicContact CG-CG2 4.39Å; L337-C373 HydrophobicContact CD1-CB 4.13Å
338	T	93.3	Very high	95.9	Very high	67 Å²	67	49.2 Å²	49.2	41%	0.411	26%	0.258	S	S	.	.	H	α-helix	trans	-61.5	-30.1	174.6	64	0	0	0	0	112.8	C333 E335 T340 D350	C333-T338 WeakPolarHBondContact SG-CG2 3.06Å; E335-T338 PolarHBondContact O-N 2.58Å; E335-T338 PolarHBondContact O-OG1 2.74Å; T338-T340 VanDerWaalsContact C-N 3.3Å; T338-D350 HydrophobicContact CG2-CB 4.42Å
339	K	94.5	Very high	95.7	Very high	130 Å²	130	52.2 Å²	52.2	57%	0.565	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82	-5.8	173.9	-68.1	179.9	-179.3	170.8	0	113.7	E335 L337 P341	E335-K339 VanDerWaalsContact CD-NZ 3.32Å; E335-K339 HydrophobicContact CG-CD 4.3Å; E335-K339 PolarHBondContact O-N 2.66Å; E335-K339 WeakPolarHBondContact OE1-CE 3.04Å; E335-K339 IonicContact OE1-NZ 3.81Å; E335-K339 PolarHBondContact OE1-NZ 3.44Å; E335-K339 IonicContact OE2-NZ 3.45Å; L337-K339 PolarHBondContact O-N 3.45Å; K339-P341 VanDerWaalsContact C-CD 3.42Å
340	T	96.9	Very high	95.6	Very high	8 Å²	8	54.7 Å²	54.7	5%	0.049	29%	0.292	C	S	.	.			trans	-128.1	62	-179	-42.5	0	0	0	0	110.6	I154 I336 L337 T338 K342 L343	I154-T340 HydrophobicContact CB-CG2 4.31Å; I336-T340 WeakPolarHBondContact O-CB 3.44Å; I336-T340 PolarHBondContact O-N 2.86Å; I336-T340 PolarHBondContact O-OG1 3.13Å; L337-T340 CarbonylContact O-C 3.47Å; L337-T340 VanDerWaalsContact O-C 3.26Å; L337-T340 WeakPolarHBondContact O-CA 3.47Å; L337-T340 PolarHBondContact O-N 3.39Å; T338-T340 VanDerWaalsContact C-N 3.3Å; T340-K342 PolarHBondContact O-N 3.39Å; T340-L343 HydrophobicContact CG2-CB 4.4Å; T340-L343 HydrophobicContact CG2-CD1 3.66Å; T340-L343 HydrophobicContact CG2-CG 3.92Å; T340-L343 PolarHBondContact O-N 3.1Å
341	P	96.3	Very high	95.6	Very high	87 Å²	87	54 Å²	54	57%	0.565	29%	0.287	S	S	*	.	G	3₁₀ helix	trans	-61	-18.2	-172.5	24.5	-35.6	0	0	0	114.4	K339 L343 T344	K339-P341 VanDerWaalsContact C-CD 3.42Å; P341-L343 PolarHBondContact O-N 3.04Å; P341-T344 WeakPolarHBondContact CA-OG1 3.35Å; P341-T344 PolarHBondContact O-N 2.77Å; P341-T344 PolarHBondContact O-OG1 2.65Å
342	K	96.8	Very high	95.7	Very high	123 Å²	123	53.6 Å²	53.6	54%	0.535	29%	0.285	S	S	.	.	G	3₁₀ helix	trans	-62.9	-22.3	173.7	-60.3	177.6	-175.3	170.3	0	113.3	T340 Y364	T340-K342 PolarHBondContact O-N 3.39Å; K342-Y364 HydrophobicContact CB-CE2 4.42Å; K342-Y364 WeakPolarHBondContact O-CE2 3.18Å
343	L	98.1	Very high	95.8	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	28%	0.28	C	S	.	.	G	3₁₀ helix	trans	-96.9	-8.9	-179.2	-72.4	176.8	0	0	0	113.5	I154 P156 L176 T340 P341 V352 D353 H361 Y364 I367	I154-L343 HydrophobicContact CB-CD1 4.21Å; I154-L343 HydrophobicContact CD1-CD1 4.05Å; I154-L343 HydrophobicContact CG2-CD1 3.78Å; P156-L343 HydrophobicContact CB-CD2 3.85Å; P156-L343 HydrophobicContact CB-CG 4.38Å; P156-L343 HydrophobicContact CG-CD2 4.21Å; P156-L343 HydrophobicContact CG-CG 4.3Å; L176-L343 HydrophobicContact CD1-CD1 4.11Å; T340-L343 HydrophobicContact CG2-CB 4.4Å; T340-L343 HydrophobicContact CG2-CD1 3.66Å; T340-L343 HydrophobicContact CG2-CG 3.92Å; T340-L343 PolarHBondContact O-N 3.1Å; P341-L343 PolarHBondContact O-N 3.04Å; L343-V352 VanDerWaalsContact O-CA 3.3Å; L343-V352 WeakPolarHBondContact O-CA 3.47Å; L343-D353 PolarHBondContact O-N 3.46Å; L343-H361 WeakPolarHBondContact CA-NE2 3.34Å; L343-H361 PolarHBondContact O-NE2 2.8Å; L343-Y364 HydrophobicContact CD2-CD2 3.69Å; L343-Y364 HydrophobicContact CD2-CE2 3.92Å; L343-I367 HydrophobicContact CD2-CD1 3.73Å; L343-I367 HydrophobicContact CD2-CG2 4.39Å
344	T	98.2	Very high	96	Very high	13 Å²	13	52.9 Å²	52.9	8%	0.08	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	160.1	-163.8	66.5	0	0	0	0	112.1	L337 P341 D350 Y351	L337-T344 HydrophobicContact CB-CG2 3.74Å; L337-T344 HydrophobicContact CD2-CG2 4.4Å; L337-T344 WeakPolarHBondContact O-CG2 3.21Å; P341-T344 WeakPolarHBondContact CA-OG1 3.35Å; P341-T344 PolarHBondContact O-N 2.77Å; P341-T344 PolarHBondContact O-OG1 2.65Å; T344-D350 WeakPolarHBondContact CB-O 2.99Å; T344-D350 HydrophobicContact CG2-CB 4.43Å; T344-D350 WeakPolarHBondContact CG2-O 3.4Å; T344-Y351 VanDerWaalsContact CA-O 3.28Å; T344-Y351 WeakPolarHBondContact CA-O 3.43Å
345	N	95.5	Very high	96.1	Very high	40 Å²	40	55.2 Å²	55.2	21%	0.214	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	111.6	174.2	-169.8	-26.2	0	0	0	110	K347 S348 D350 Y351 D353	N345-K347 PolarHBondContact O-N 2.76Å; N345-K347 WeakPolarHBondContact OD1-CB 3.49Å; N345-K347 PolarHBondContact OD1-N 3.17Å; N345-S348 CarbonylContact O-C 3.42Å; N345-S348 WeakPolarHBondContact O-CA 3.49Å; N345-S348 PolarHBondContact O-N 3.14Å; N345-D350 PolarHBondContact O-N 2.95Å; N345-D350 VanDerWaalsContact O-N 3.13Å; N345-Y351 PolarHBondContact N-O 3.41Å; N345-D353 HydrophobicContact CB-CB 3.93Å; N345-D353 WeakPolarHBondContact CB-OD1 3.39Å; N345-D353 PolarHBondContact ND2-OD1 2.79Å
346	P	93.7	Very high	96.2	Very high	96 Å²	96	52 Å²	52	62%	0.623	28%	0.278	S	S	*	.	G	3₁₀ helix	trans	-58.2	-30.1	178.6	-26.8	35	0	0	0	113.6	S348 C349 D350	P346-S348 PolarHBondContact O-N 2.66Å; P346-C349 PolarHBondContact O-N 3.12Å; P346-D350 WeakPolarHBondContact CA-OD1 3.36Å
347	K	93.4	Very high	96.3	Very high	200 Å²	200	55.4 Å²	55.4	87%	0.87	29%	0.293	S	S	*	.	G	3₁₀ helix	trans	-69.2	-16.1	176.1	-59.3	-179.1	179.1	177.5	0	112.7	N345	N345-K347 PolarHBondContact O-N 2.76Å; N345-K347 WeakPolarHBondContact OD1-CB 3.49Å; N345-K347 PolarHBondContact OD1-N 3.17Å
348	S	93.5	Very high	96.4	Very high	39 Å²	39	56.5 Å²	56.5	27%	0.273	30%	0.299	S	S	.	.	G	3₁₀ helix	trans	-115.5	41	178.2	-58.1	0	0	0	0	110.9	N345 P346 D350 Y351	N345-S348 CarbonylContact O-C 3.42Å; N345-S348 WeakPolarHBondContact O-CA 3.49Å; N345-S348 PolarHBondContact O-N 3.14Å; P346-S348 PolarHBondContact O-N 2.66Å; S348-D350 PolarHBondContact O-N 3.42Å; S348-D350 VanDerWaalsContact O-N 3.13Å; S348-Y351 WeakPolarHBondContact O-CB 3.3Å; S348-Y351 WeakPolarHBondContact O-CD2 3.44Å; S348-Y351 PolarHBondContact O-N 3.46Å
349	C	93.9	Very high	96.6	Very high	65 Å²	65	53.3 Å²	53.3	44%	0.439	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.4	37	177.1	-51.9	0	0	0	0	113.7	P232 C333 P346 Y351	P232-C349 HydrophobicContact CG-CB 4.23Å; C333-C349 WeakPolarHBondContact CB-O 3.48Å; C333-C349 PolarHBondContact SG-O 3.36Å; P346-C349 PolarHBondContact O-N 3.12Å; C349-Y351 HydrophobicContact CB-CD2 4.19Å; C349-Y351 HydrophobicContact CB-CE2 4.04Å; C349-Y351 PolarHBondContact O-N 3.05Å
350	D	96.1	Very high	96.8	Very high	53 Å²	53	49.3 Å²	49.3	28%	0.283	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.1	29.4	-178.6	-55.3	-57.1	0	0	0	114.7	T338 T344 N345 P346 S348	T338-D350 HydrophobicContact CG2-CB 4.42Å; T344-D350 WeakPolarHBondContact CB-O 2.99Å; T344-D350 HydrophobicContact CG2-CB 4.43Å; T344-D350 WeakPolarHBondContact CG2-O 3.4Å; N345-D350 PolarHBondContact O-N 2.95Å; N345-D350 VanDerWaalsContact O-N 3.13Å; P346-D350 WeakPolarHBondContact CA-OD1 3.36Å; S348-D350 PolarHBondContact O-N 3.42Å; S348-D350 VanDerWaalsContact O-N 3.13Å
351	Y	97.3	Very high	96.9	Very high	6 Å²	6	49.1 Å²	49.1	2%	0.024	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	160.2	164.2	-71.3	-63.4	0	0	0	111.5	I180 P232 C333 T344 N345 S348 C349 D353 D372 C373	I180-Y351 WeakPolarHBondContact CD1-OH 3.14Å; I180-Y351 HydrophobicContact CG1-CE1 4.47Å; I180-Y351 WeakPolarHBondContact CG1-OH 3.4Å; P232-Y351 HydrophobicContact CB-CE2 3.84Å; P232-Y351 WeakPolarHBondContact CB-OH 3.19Å; P232-Y351 HydrophobicContact CG-CE2 3.68Å; C333-Y351 HydrophobicContact CB-CD1 3.83Å; C333-Y351 HydrophobicContact CB-CE1 3.69Å; C333-Y351 HydrophobicContact CB-CG 4.43Å; C333-Y351 PolarHBondContact N-OH 3.16Å; T344-Y351 VanDerWaalsContact CA-O 3.28Å; T344-Y351 WeakPolarHBondContact CA-O 3.43Å; N345-Y351 PolarHBondContact N-O 3.41Å; S348-Y351 WeakPolarHBondContact O-CB 3.3Å; S348-Y351 WeakPolarHBondContact O-CD2 3.44Å; S348-Y351 PolarHBondContact O-N 3.46Å; C349-Y351 HydrophobicContact CB-CD2 4.19Å; C349-Y351 HydrophobicContact CB-CE2 4.04Å; C349-Y351 PolarHBondContact O-N 3.05Å; Y351-D353 PolarHBondContact O-N 3.4Å; Y351-D372 WeakPolarHBondContact CE1-O 3.33Å; Y351-C373 WeakPolarHBondContact CB-O 3.26Å; Y351-C373 WeakPolarHBondContact CD1-O 3.36Å
352	V	98.5	Very high	97	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.3	126.8	-175.3	-173.7	0	0	0	0	110.7	L176 L337 L343 V354 A369 C373 A375	L176-V352 HydrophobicContact CB-CG2 4.28Å; L176-V352 HydrophobicContact CD1-CG1 4Å; L176-V352 HydrophobicContact CD1-CG2 3.73Å; L337-V352 HydrophobicContact CD1-CG2 3.67Å; L337-V352 HydrophobicContact CD2-CG2 3.73Å; L337-V352 HydrophobicContact CG-CG2 4.39Å; L343-V352 VanDerWaalsContact O-CA 3.3Å; L343-V352 WeakPolarHBondContact O-CA 3.47Å; V352-V354 HydrophobicContact CG1-CG1 3.96Å; V352-V354 PolarHBondContact O-N 2.84Å; V352-V354 VanDerWaalsContact O-N 3.11Å; V352-A369 HydrophobicContact CB-CB 3.83Å; V352-A369 HydrophobicContact CG1-CB 3.74Å; V352-A369 HydrophobicContact CG2-CB 4.19Å; V352-C373 PolarHBondContact N-O 3.23Å; V352-A375 WeakPolarHBondContact O-CB 3.46Å; V352-A375 PolarHBondContact O-N 3.39Å
353	D	98.3	Very high	97	Very high	24 Å²	24	49.4 Å²	49.4	13%	0.128	26%	0.258	C	S	.	.			trans	-79.5	93.1	-175.5	-166.3	47.3	0	0	0	111.6	L343 N345 Y351 H361 N362	L343-D353 PolarHBondContact O-N 3.46Å; N345-D353 HydrophobicContact CB-CB 3.93Å; N345-D353 WeakPolarHBondContact CB-OD1 3.39Å; N345-D353 PolarHBondContact ND2-OD1 2.79Å; Y351-D353 PolarHBondContact O-N 3.4Å; D353-H361 WeakPolarHBondContact O-CA 3.31Å; D353-H361 PolarHBondContact O-CD2 3.22Å; D353-N362 PolarHBondContact O-N 2.93Å; D353-N362 PolarHBondContact OD1-ND2 3.5Å; D353-N362 WeakPolarHBondContact OD2-CB 3.44Å; D353-N362 PolarHBondContact OD2-ND2 3.33Å
354	V	98.5	Very high	97	Very high	5 Å²	5	51.7 Å²	51.7	3%	0.03	27%	0.266	C	S	.	.	B	Isolated β-bridge	trans	-116.5	152.2	-178.8	-62.5	0	0	0	0	112.2	V352 V356 R360 A369 A374 L376	V352-V354 HydrophobicContact CG1-CG1 3.96Å; V352-V354 PolarHBondContact O-N 2.84Å; V352-V354 VanDerWaalsContact O-N 3.11Å; V354-V356 PolarHBondContact O-N 3.23Å; V354-R360 CarbonylContact C-O 3.5Å; V354-R360 VanDerWaalsContact CA-O 3.28Å; V354-R360 WeakPolarHBondContact CA-O 3.3Å; V354-R360 WeakPolarHBondContact CB-O 3.43Å; V354-A369 HydrophobicContact CG1-CB 3.69Å; V354-A374 HydrophobicContact CG2-CB 4.01Å; V354-L376 HydrophobicContact CG2-CD2 3.78Å; V354-L376 HydrophobicContact CG2-CG 4.39Å
355	N	98	Very high	96.9	Very high	61 Å²	61	56 Å²	56	33%	0.326	29%	0.289	S	S	.	.			trans	-63.6	125.1	166.4	-178.5	-73.9	0	0	0	109.5	K357 T358 L359 R360 N362	N355-K357 PolarHBondContact O-N 3.16Å; N355-K357 VanDerWaalsContact O-N 3.11Å; N355-K357 WeakPolarHBondContact OD1-CA 3.48Å; N355-K357 WeakPolarHBondContact OD1-CB 3.43Å; N355-K357 PolarHBondContact OD1-N 2.89Å; N355-T358 WeakPolarHBondContact CB-OG1 3.33Å; N355-T358 PolarHBondContact O-N 2.85Å; N355-T358 PolarHBondContact OD1-N 2.95Å; N355-T358 PolarHBondContact OD1-OG1 3.22Å; N355-L359 WeakPolarHBondContact O-CA 3.25Å; N355-L359 PolarHBondContact O-N 3.47Å; N355-R360 PolarHBondContact N-O 3.26Å; N355-N362 WeakPolarHBondContact CA-OD1 3.45Å; N355-N362 PolarHBondContact N-OD1 3.38Å; N355-N362 VanDerWaalsContact N-OD1 3.15Å
356	V	97.1	Very high	97.1	Very high	55 Å²	55	55.5 Å²	55.5	33%	0.333	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-20	-173.1	-59.3	0	0	0	0	114.2	V354 L376 P377 Y432	V354-V356 PolarHBondContact O-N 3.23Å; V356-L376 HydrophobicContact CB-CD2 4.27Å; V356-L376 HydrophobicContact CG1-CD2 4.29Å; V356-P377 HydrophobicContact CG1-CG 4.31Å; V356-Y432 HydrophobicContact CB-CE2 4.27Å; V356-Y432 HydrophobicContact CG2-CE2 4.45Å; V356-Y432 PolarHBondContact O-OH 2.94Å
357	K	97.7	Very high	97.3	Very high	92 Å²	92	50.9 Å²	50.9	40%	0.4	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.1	-46.3	179.3	-68.8	174	160.3	-142.3	0	112.1	N355 T391 E409 Y410	N355-K357 PolarHBondContact O-N 3.16Å; N355-K357 VanDerWaalsContact O-N 3.11Å; N355-K357 WeakPolarHBondContact OD1-CA 3.48Å; N355-K357 WeakPolarHBondContact OD1-CB 3.43Å; N355-K357 PolarHBondContact OD1-N 2.89Å; K357-T391 WeakPolarHBondContact O-CG2 3.49Å; K357-E409 HydrophobicContact CB-CB 4.18Å; K357-E409 HydrophobicContact CB-CG 4.19Å; K357-E409 HydrophobicContact CD-CG 4.39Å; K357-E409 WeakPolarHBondContact CE-OE2 3.11Å; K357-E409 VanDerWaalsContact NZ-CD 3.26Å; K357-E409 IonicContact NZ-OE1 3.23Å; K357-E409 PolarHBondContact NZ-OE1 3.15Å; K357-E409 IonicContact NZ-OE2 3.49Å; K357-E409 PolarHBondContact NZ-OE2 2.96Å; K357-Y410 PolarHBondContact O-N 2.96Å
358	T	98.1	Very high	97.5	Very high	22 Å²	22	41.4 Å²	41.4	14%	0.135	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.4	-18.8	-172	66.3	0	0	0	0	113.9	N355 R360 N395 N406	N355-T358 WeakPolarHBondContact CB-OG1 3.33Å; N355-T358 PolarHBondContact O-N 2.85Å; N355-T358 PolarHBondContact OD1-N 2.95Å; N355-T358 PolarHBondContact OD1-OG1 3.22Å; T358-R360 PolarHBondContact O-N 2.87Å; T358-R360 PolarHBondContact OG1-N 3.44Å; T358-N395 WeakPolarHBondContact CA-ND2 3.5Å; T358-N395 PolarHBondContact O-ND2 3.36Å; T358-N406 HydrophobicContact CG2-CB 4.45Å
359	L	98.5	Very high	97.8	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	20%	0.202	C	C	.	.			trans	67.2	8.8	-175	-52.4	175.5	0	0	0	114.9	N355 F368 A369 L376 Q388 T391 L392 Y410	N355-L359 WeakPolarHBondContact O-CA 3.25Å; N355-L359 PolarHBondContact O-N 3.47Å; L359-F368 VanDerWaalsContact O-CA 3.28Å; L359-F368 WeakPolarHBondContact O-CA 3.34Å; L359-F368 WeakPolarHBondContact O-CB 3.49Å; L359-A369 PolarHBondContact O-N 2.84Å; L359-L376 HydrophobicContact CD2-CD1 3.68Å; L359-L376 HydrophobicContact CD2-CD2 3.75Å; L359-L376 HydrophobicContact CD2-CG 4.33Å; L359-Q388 HydrophobicContact CD1-CB 3.62Å; L359-Q388 HydrophobicContact CD1-CG 4.03Å; L359-Q388 VanDerWaalsContact CD1-O 3.24Å; L359-Q388 WeakPolarHBondContact CD1-O 3.39Å; L359-Q388 HydrophobicContact CD2-CG 4.47Å; L359-T391 HydrophobicContact CD1-CG2 4.48Å; L359-L392 HydrophobicContact CB-CD1 4.17Å; L359-L392 HydrophobicContact CB-CG 4.41Å; L359-L392 HydrophobicContact CD1-CB 3.99Å; L359-L392 HydrophobicContact CD1-CD1 4.39Å; L359-Y410 HydrophobicContact CD2-CD1 4.23Å
360	R	98.6	Very high	98	Very high	46 Å²	46	36.5 Å²	36.5	17%	0.174	18%	0.181	C	C	.	.	B	Isolated β-bridge	trans	-78.4	143.2	172.1	-164.8	178.3	-166.2	-171.4	-3.1	110	V354 N355 T358 D365 F368	V354-R360 CarbonylContact C-O 3.5Å; V354-R360 VanDerWaalsContact CA-O 3.28Å; V354-R360 WeakPolarHBondContact CA-O 3.3Å; V354-R360 WeakPolarHBondContact CB-O 3.43Å; N355-R360 PolarHBondContact N-O 3.26Å; T358-R360 PolarHBondContact O-N 2.87Å; T358-R360 PolarHBondContact OG1-N 3.44Å; R360-D365 IonicContact CZ-OD1 3.91Å; R360-D365 IonicContact CZ-OD2 3.41Å; R360-D365 PolarHBondContact NE-O 2.95Å; R360-D365 IonicContact NE-OD1 2.79Å; R360-D365 IonicContact NH1-OD1 3.93Å; R360-D365 VanDerWaalsContact NH2-CA 3.34Å; R360-D365 PolarHBondContact NH2-O 2.96Å; R360-D365 IonicContact NH2-OD1 3.05Å; R360-D365 PolarHBondContact NH2-OD1 3.06Å; R360-D365 IonicContact NH2-OD2 3.29Å; R360-D365 PolarHBondContact NH2-OD2 2.92Å; R360-F368 VanDerWaalsContact CA-CD1 3.49Å; R360-F368 HydrophobicContact CB-CD1 3.85Å; R360-F368 HydrophobicContact CB-CE1 3.57Å; R360-F368 HydrophobicContact CB-CZ 4.14Å; R360-F368 HydrophobicContact CG-CD1 4.22Å; R360-F368 HydrophobicContact CG-CE1 3.73Å; R360-F368 HydrophobicContact CG-CE2 4.28Å; R360-F368 HydrophobicContact CG-CZ 3.76Å
361	H	98.6	Very high	98	Very high	5 Å²	5	34.5 Å²	34.5	2%	0.023	17%	0.173	C	C	.	.	B	Isolated β-bridge	trans	-61.1	142	173.6	-170.8	-92.8	0	0	0	110.4	L343 D353 H363 Y364 I367	L343-H361 WeakPolarHBondContact CA-NE2 3.34Å; L343-H361 PolarHBondContact O-NE2 2.8Å; D353-H361 WeakPolarHBondContact O-CA 3.31Å; D353-H361 PolarHBondContact O-CD2 3.22Å; H361-H363 VanDerWaalsContact C-N 3.26Å; H361-H363 PolarHBondContact ND1-N 3.18Å; H361-H363 PolarHBondContact O-N 3.1Å; H361-Y364 AromaticContact CE1-CD2 3.33Å; H361-Y364 WeakPolarHBondContact CE1-CD2 3.15Å; H361-Y364 AromaticContact CE1-CE2 3.89Å; H361-Y364 AromaticContact ND1-CD2 3.31Å; H361-Y364 VanDerWaalsContact ND1-CD2 3.31Å; H361-Y364 WeakPolarHBondContact ND1-CD2 3.29Å; H361-Y364 AromaticContact ND1-CG 3.88Å; H361-Y364 PolarHBondContact ND1-N 2.72Å; H361-I367 HydrophobicContact CB-CB 3.91Å; H361-I367 HydrophobicContact CB-CG2 4.15Å; H361-I367 WeakPolarHBondContact CB-O 3.11Å; H361-I367 PolarHBondContact N-O 3.19Å
362	N	98.1	Very high	98	Very high	74 Å²	74	35.7 Å²	35.7	40%	0.396	18%	0.18	S	C	.	.	S	Bend	trans	-71.2	-20.2	-174.5	-69.3	-42.2	0	0	0	113.8	D353 N355	D353-N362 PolarHBondContact O-N 2.93Å; D353-N362 PolarHBondContact OD1-ND2 3.5Å; D353-N362 WeakPolarHBondContact OD2-CB 3.44Å; D353-N362 PolarHBondContact OD2-ND2 3.33Å; N355-N362 WeakPolarHBondContact CA-OD1 3.45Å; N355-N362 PolarHBondContact N-OD1 3.38Å; N355-N362 VanDerWaalsContact N-OD1 3.15Å
363	H	97.1	Very high	97.9	Very high	142 Å²	142	35.7 Å²	35.7	66%	0.657	18%	0.18	S	C	*	.	S	Bend	trans	-119.2	-17	-178.5	-59.1	-68.9	0	0	0	115.1	H361	H361-H363 VanDerWaalsContact C-N 3.26Å; H361-H363 PolarHBondContact ND1-N 3.18Å; H361-H363 PolarHBondContact O-N 3.1Å
364	Y	98.2	Very high	97.9	Very high	47 Å²	47	34.6 Å²	34.6	18%	0.184	17%	0.174	C	C	.	.			trans	-123.9	104.5	-173.3	-66.2	-67.7	0	0	0	108.8	P156 K342 L343 H361 N366 I367	P156-Y364 HydrophobicContact CB-CD1 4.08Å; P156-Y364 HydrophobicContact CB-CD2 3.85Å; P156-Y364 HydrophobicContact CB-CE1 3.89Å; P156-Y364 HydrophobicContact CB-CE2 3.67Å; P156-Y364 HydrophobicContact CB-CG 4.08Å; P156-Y364 HydrophobicContact CG-CD2 4.35Å; P156-Y364 HydrophobicContact CG-CE1 4.08Å; P156-Y364 HydrophobicContact CG-CE2 3.66Å; K342-Y364 HydrophobicContact CB-CE2 4.42Å; K342-Y364 WeakPolarHBondContact O-CE2 3.18Å; L343-Y364 HydrophobicContact CD2-CD2 3.69Å; L343-Y364 HydrophobicContact CD2-CE2 3.92Å; H361-Y364 AromaticContact CE1-CD2 3.33Å; H361-Y364 WeakPolarHBondContact CE1-CD2 3.15Å; H361-Y364 AromaticContact CE1-CE2 3.89Å; H361-Y364 AromaticContact ND1-CD2 3.31Å; H361-Y364 VanDerWaalsContact ND1-CD2 3.31Å; H361-Y364 WeakPolarHBondContact ND1-CD2 3.29Å; H361-Y364 AromaticContact ND1-CG 3.88Å; H361-Y364 PolarHBondContact ND1-N 2.72Å; Y364-N366 PolarHBondContact O-N 3.47Å; Y364-N366 VanDerWaalsContact O-N 3.11Å; Y364-I367 HydrophobicContact CD2-CD1 4.06Å; Y364-I367 HydrophobicContact CG-CD1 3.9Å; Y364-I367 PolarHBondContact O-N 2.83Å
365	D	96.7	Very high	97.8	Very high	103 Å²	103	35 Å²	35	55%	0.551	18%	0.179	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.8	-20.7	-169.7	-95.9	11.5	0	0	0	114.5	R360	R360-D365 IonicContact CZ-OD1 3.91Å; R360-D365 IonicContact CZ-OD2 3.41Å; R360-D365 PolarHBondContact NE-O 2.95Å; R360-D365 IonicContact NE-OD1 2.79Å; R360-D365 IonicContact NH1-OD1 3.93Å; R360-D365 VanDerWaalsContact NH2-CA 3.34Å; R360-D365 PolarHBondContact NH2-O 2.96Å; R360-D365 IonicContact NH2-OD1 3.05Å; R360-D365 PolarHBondContact NH2-OD1 3.06Å; R360-D365 IonicContact NH2-OD2 3.29Å; R360-D365 PolarHBondContact NH2-OD2 2.92Å
366	N	98.3	Very high	97.6	Very high	30 Å²	30	32.8 Å²	32.8	16%	0.16	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.2	7	178.8	67.5	-30	0	0	0	113.7	S159 E172 Y173 L174 Y364	S159-N366 PolarHBondContact OG-ND2 2.79Å; E172-N366 WeakPolarHBondContact O-CB 3.41Å; E172-N366 PolarHBondContact O-ND2 3.06Å; Y173-N366 CarbonylContact C-O 3.52Å; Y173-N366 VanDerWaalsContact CA-O 3.26Å; Y173-N366 WeakPolarHBondContact CA-O 3.49Å; Y173-N366 HydrophobicContact CD1-CB 3.86Å; Y173-N366 HydrophobicContact CE1-CB 4.23Å; L174-N366 PolarHBondContact N-O 3.3Å; Y364-N366 PolarHBondContact O-N 3.47Å; Y364-N366 VanDerWaalsContact O-N 3.11Å
367	I	98.7	Very high	97.4	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	136.3	-178.7	-54.9	-173.9	0	0	0	109.9	P156 L174 L176 L343 H361 Y364	P156-I367 HydrophobicContact CB-CD1 3.45Å; P156-I367 VanDerWaalsContact CB-CD1 3.45Å; L174-I367 HydrophobicContact CB-CG1 4.15Å; L174-I367 HydrophobicContact CB-CG2 4.44Å; L174-I367 HydrophobicContact CD2-CD1 4.22Å; L174-I367 HydrophobicContact CD2-CG1 4.44Å; L174-I367 HydrophobicContact CD2-CG2 4.3Å; L174-I367 CarbonylContact O-C 3.5Å; L174-I367 WeakPolarHBondContact O-CA 3.49Å; L176-I367 HydrophobicContact CD1-CG2 4.28Å; L343-I367 HydrophobicContact CD2-CD1 3.73Å; L343-I367 HydrophobicContact CD2-CG2 4.39Å; H361-I367 HydrophobicContact CB-CB 3.91Å; H361-I367 HydrophobicContact CB-CG2 4.15Å; H361-I367 WeakPolarHBondContact CB-O 3.11Å; H361-I367 PolarHBondContact N-O 3.19Å; Y364-I367 HydrophobicContact CD2-CD1 4.06Å; Y364-I367 HydrophobicContact CG-CD1 3.9Å; Y364-I367 PolarHBondContact O-N 2.83Å
368	F	98.8	Very high	96.8	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	158.6	176.4	-63.4	-104.3	0	0	0	109.6	Y173 L174 I175 L176 L359 R360 L392 L396 V399	Y173-F368 HydrophobicContact CD1-CE2 4.36Å; L174-F368 PolarHBondContact O-N 3.34Å; I175-F368 CarbonylContact C-O 3.57Å; I175-F368 WeakPolarHBondContact CA-O 3.45Å; I175-F368 HydrophobicContact CG1-CB 4.44Å; L176-F368 PolarHBondContact N-O 2.8Å; L359-F368 VanDerWaalsContact O-CA 3.28Å; L359-F368 WeakPolarHBondContact O-CA 3.34Å; L359-F368 WeakPolarHBondContact O-CB 3.49Å; R360-F368 VanDerWaalsContact CA-CD1 3.49Å; R360-F368 HydrophobicContact CB-CD1 3.85Å; R360-F368 HydrophobicContact CB-CE1 3.57Å; R360-F368 HydrophobicContact CB-CZ 4.14Å; R360-F368 HydrophobicContact CG-CD1 4.22Å; R360-F368 HydrophobicContact CG-CE1 3.73Å; R360-F368 HydrophobicContact CG-CE2 4.28Å; R360-F368 HydrophobicContact CG-CZ 3.76Å; F368-L392 HydrophobicContact CB-CD1 3.84Å; F368-L392 HydrophobicContact CB-CD2 4.17Å; F368-L392 HydrophobicContact CB-CG 4.09Å; F368-L392 HydrophobicContact CD1-CD2 4.4Å; F368-L392 HydrophobicContact CD1-CG 4.1Å; F368-L392 HydrophobicContact CG-CD2 4.34Å; F368-L392 HydrophobicContact CG-CG 4.36Å; F368-L396 HydrophobicContact CD2-CD1 4.23Å; F368-L396 HydrophobicContact CE2-CD1 3.7Å; F368-L396 HydrophobicContact CZ-CD1 4.18Å; F368-V399 HydrophobicContact CZ-CG2 4.48Å
369	A	98.7	Very high	96.2	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	148.9	171.6	0	0	0	0	0	112.3	L176 V352 V354 L359 A374	L176-A369 HydrophobicContact CB-CB 3.98Å; L176-A369 VanDerWaalsContact O-CA 3.27Å; L176-A369 WeakPolarHBondContact O-CA 3.46Å; V352-A369 HydrophobicContact CB-CB 3.83Å; V352-A369 HydrophobicContact CG1-CB 3.74Å; V352-A369 HydrophobicContact CG2-CB 4.19Å; V354-A369 HydrophobicContact CG1-CB 3.69Å; L359-A369 PolarHBondContact O-N 2.84Å; A369-A374 HydrophobicContact CB-CB 4.07Å
370	L	98.4	Very high	95.9	Very high	1 Å²	1	32.6 Å²	32.6	1%	0.005	17%	0.174	C	C	.	.			trans	-144.3	166.8	175	78.1	166.3	0	0	0	112.1	M64 I175 L176 A177 Q388 A389 L392	M64-L370 HydrophobicContact CG-CD1 3.65Å; M64-L370 HydrophobicContact CG-CD2 3.92Å; M64-L370 HydrophobicContact CG-CG 4.46Å; M64-L370 HydrophobicContact SD-CD1 4.08Å; I175-L370 HydrophobicContact CG2-CD2 3.5Å; L176-L370 PolarHBondContact O-N 3.25Å; L176-L370 VanDerWaalsContact O-N 3.1Å; A177-L370 HydrophobicContact CB-CD2 3.9Å; L370-Q388 HydrophobicContact CB-CB 4.22Å; L370-A389 HydrophobicContact CD1-CB 4.09Å; L370-L392 HydrophobicContact CB-CD1 4.07Å; L370-L392 HydrophobicContact CD2-CD1 4.08Å; L370-L392 HydrophobicContact CG-CD1 4.46Å
371	G	96.6	Very high	95.6	Very high	11 Å²	11	31 Å²	31	11%	0.113	17%	0.169	C	C	.	.	G	3₁₀ helix	trans	70.5	-150.2	-179.5	0	0	0	0	0	112.4	C373 A374	G371-C373 PolarHBondContact O-N 2.93Å; G371-A374 PolarHBondContact O-N 3.32Å
372	D	96	Very high	95.4	Very high	31 Å²	31	31.9 Å²	31.9	17%	0.166	18%	0.178	C	C	.	.	G	3₁₀ helix	trans	-68.9	-20.4	-164.4	-61.4	1.6	0	0	0	113.6	G179 I180 Y351 K380	G179-D372 CarbonylContact O-C 3.48Å; I180-D372 HydrophobicContact CB-CB 3.95Å; I180-D372 HydrophobicContact CG2-CB 4.16Å; Y351-D372 WeakPolarHBondContact CE1-O 3.33Å; D372-K380 HydrophobicContact CB-CB 4.2Å; D372-K380 HydrophobicContact CB-CD 3.92Å; D372-K380 HydrophobicContact CB-CG 4.23Å; D372-K380 WeakPolarHBondContact O-CE 3.37Å; D372-K380 PolarHBondContact O-NZ 3.47Å; D372-K380 VanDerWaalsContact OD1-CB 3.29Å; D372-K380 WeakPolarHBondContact OD1-CB 3.35Å
373	C	97	Very high	95.2	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	17%	0.169	C	C	.	.	G	3₁₀ helix	trans	-86.6	-11.4	179.8	69.2	0	0	0	0	114.1	L176 L178 G179 L337 Y351 V352 G371	L176-C373 PolarHBondContact O-SG 3.43Å; L176-C373 VanDerWaalsContact O-SG 3.39Å; L178-C373 HydrophobicContact CB-CB 3.95Å; L178-C373 PolarHBondContact N-SG 2.92Å; G179-C373 WeakPolarHBondContact O-CA 3.48Å; G179-C373 WeakPolarHBondContact O-CB 3.39Å; G179-C373 PolarHBondContact O-N 3.48Å; L337-C373 HydrophobicContact CD1-CB 4.13Å; Y351-C373 WeakPolarHBondContact CB-O 3.26Å; Y351-C373 WeakPolarHBondContact CD1-O 3.36Å; V352-C373 PolarHBondContact N-O 3.23Å; G371-C373 PolarHBondContact O-N 2.93Å
374	A	97.7	Very high	95.2	Very high	1 Å²	1	22.9 Å²	22.9	1%	0.008	14%	0.138	C	C	.	.	B	Isolated β-bridge	trans	-81.8	140.3	178.9	0	0	0	0	0	110.8	V354 A369 G371 L376	V354-A374 HydrophobicContact CG2-CB 4.01Å; A369-A374 HydrophobicContact CB-CB 4.07Å; G371-A374 PolarHBondContact O-N 3.32Å; A374-L376 HydrophobicContact CB-CD1 3.97Å; A374-L376 HydrophobicContact CB-CG 3.83Å; A374-L376 PolarHBondContact O-N 3.03Å
375	A	96.5	Very high	95.1	Very high	15 Å²	15	20.9 Å²	20.9	12%	0.124	13%	0.131	C	C	.	.			trans	-75.3	55.1	176.9	0	0	0	0	0	112.2	V352	V352-A375 WeakPolarHBondContact O-CB 3.46Å; V352-A375 PolarHBondContact O-N 3.39Å
376	L	95.2	Very high	95.1	Very high	13 Å²	13	16 Å²	16	7%	0.068	11%	0.105	C	C	.	.			trans	-94	133.2	178.4	-56.6	174.1	0	0	0	109.8	V354 V356 L359 A374 T378 Q388 Y410	V354-L376 HydrophobicContact CG2-CD2 3.78Å; V354-L376 HydrophobicContact CG2-CG 4.39Å; V356-L376 HydrophobicContact CB-CD2 4.27Å; V356-L376 HydrophobicContact CG1-CD2 4.29Å; L359-L376 HydrophobicContact CD2-CD1 3.68Å; L359-L376 HydrophobicContact CD2-CD2 3.75Å; L359-L376 HydrophobicContact CD2-CG 4.33Å; A374-L376 HydrophobicContact CB-CD1 3.97Å; A374-L376 HydrophobicContact CB-CG 3.83Å; A374-L376 PolarHBondContact O-N 3.03Å; L376-T378 PolarHBondContact O-N 3.47Å; L376-Q388 HydrophobicContact CD1-CG 4.24Å; L376-Y410 HydrophobicContact CD1-CD1 4.38Å; L376-Y410 HydrophobicContact CD1-CE1 4.04Å
377	P	91.2	Very high	95.1	Very high	90 Å²	90	15.2 Å²	15.2	58%	0.584	10%	0.102	S	C	*	.	S	Bend	trans	-77.8	53.6	179.3	30.8	-33.8	0	0	0	112	V356 Y432	V356-P377 HydrophobicContact CG1-CG 4.31Å; P377-Y432 HydrophobicContact CG-CD1 3.68Å; P377-Y432 HydrophobicContact CG-CE1 3.73Å
378	T	86.9	Confident	95	Very high	26 Å²	26	15.4 Å²	15.4	16%	0.16	10%	0.103	C	C	.	.	S	Bend	trans	-136	168.7	180	49.1	0	0	0	0	111.2	L376 G412 Y432	L376-T378 PolarHBondContact O-N 3.47Å; T378-G412 VanDerWaalsContact CG2-O 3.23Å; T378-G412 WeakPolarHBondContact CG2-O 3.41Å; T378-Y432 HydrophobicContact CG2-CD1 3.4Å; T378-Y432 HydrophobicContact CG2-CE1 3.31Å; T378-Y432 HydrophobicContact CG2-CG 4.42Å
379	S	84	Confident	95	Very high	23 Å²	23	15.4 Å²	15.4	16%	0.161	10%	0.103	C	C	.	.			trans	-72.2	139	171.1	-52.2	0	0	0	0	111	T381	S379-T381 PolarHBondContact O-N 2.86Å
380	K	91.9	Very high	94.9	Very high	26 Å²	26	16 Å²	16	11%	0.113	11%	0.107	C	C	.	.	B	Isolated β-bridge	trans	-75.2	92.3	179.2	-67.2	-178.9	-167	-63.9	0	110	I180 C235 D372	I180-K380 HydrophobicContact CD1-CD 3.98Å; C235-K380 PolarHBondContact N-O 3.21Å; D372-K380 HydrophobicContact CB-CB 4.2Å; D372-K380 HydrophobicContact CB-CD 3.92Å; D372-K380 HydrophobicContact CB-CG 4.23Å; D372-K380 WeakPolarHBondContact O-CE 3.37Å; D372-K380 PolarHBondContact O-NZ 3.47Å; D372-K380 VanDerWaalsContact OD1-CB 3.29Å; D372-K380 WeakPolarHBondContact OD1-CB 3.35Å
381	T	93.1	Very high	94.9	Very high	12 Å²	12	16.3 Å²	16.3	7%	0.074	11%	0.109	C	C	.	.			trans	-138.8	153.7	-172.3	70	0	0	0	0	113.2	C235 S379 A383 A384 V385 T414	C235-T381 HydrophobicContact CB-CG2 4.22Å; S379-T381 PolarHBondContact O-N 2.86Å; T381-A383 PolarHBondContact O-N 3.34Å; T381-A384 WeakPolarHBondContact O-CB 3.44Å; T381-A384 PolarHBondContact O-N 2.85Å; T381-A384 WeakPolarHBondContact OG1-CB 3.33Å; T381-A384 PolarHBondContact OG1-N 3Å; T381-A384 VanDerWaalsContact OG1-N 3.16Å; T381-V385 PolarHBondContact O-N 2.63Å; T381-V385 VanDerWaalsContact O-N 3.09Å; T381-T414 HydrophobicContact CG2-CG2 4.07Å
382	A	93.9	Very high	95	Very high	25 Å²	25	15.8 Å²	15.8	21%	0.207	10%	0.104	C	C	.	.	H	α-helix	trans	-63.9	-27.8	173.9	0	0	0	0	0	113.4	P117 V385 S386 Y463 L467	P117-A382 HydrophobicContact CG-CB 4.31Å; A382-V385 PolarHBondContact O-N 3.46Å; A382-S386 PolarHBondContact O-N 3.02Å; A382-S386 VanDerWaalsContact O-N 3.07Å; A382-Y463 HydrophobicContact CB-CD2 4.27Å; A382-Y463 HydrophobicContact CB-CE2 4.11Å; A382-L467 HydrophobicContact CB-CD2 4.39Å
383	A	94.9	Very high	95.1	Very high	26 Å²	26	15.6 Å²	15.6	22%	0.215	10%	0.102	C	C	.	.	H	α-helix	trans	-65.2	-44.5	174.3	0	0	0	0	0	111.1	T381 V385 S386 Y413 A415	T381-A383 PolarHBondContact O-N 3.34Å; A383-V385 VanDerWaalsContact C-N 3.35Å; A383-V385 PolarHBondContact O-N 2.92Å; A383-S386 PolarHBondContact O-N 2.78Å; A383-S386 PolarHBondContact O-OG 3.13Å; A383-Y413 HydrophobicContact CB-CE1 4.24Å; A383-A415 HydrophobicContact CB-CB 3.49Å; A383-A415 VanDerWaalsContact CB-CB 3.49Å
384	A	96.1	Very high	95.2	Very high	1 Å²	1	21.4 Å²	21.4	1%	0.008	13%	0.127	C	C	.	.	H	α-helix	trans	-59.8	-45.8	173.1	0	0	0	0	0	111.4	T381 S386 S387 Q388 Y410 Y413	T381-A384 WeakPolarHBondContact O-CB 3.44Å; T381-A384 PolarHBondContact O-N 2.85Å; T381-A384 WeakPolarHBondContact OG1-CB 3.33Å; T381-A384 PolarHBondContact OG1-N 3Å; T381-A384 VanDerWaalsContact OG1-N 3.16Å; A384-S386 PolarHBondContact O-N 2.8Å; A384-S387 PolarHBondContact O-N 3Å; A384-S387 VanDerWaalsContact O-N 3.16Å; A384-Q388 WeakPolarHBondContact O-CB 3.25Å; A384-Q388 WeakPolarHBondContact O-CG 3.24Å; A384-Q388 PolarHBondContact O-N 2.87Å; A384-Y410 WeakPolarHBondContact CB-OH 3.05Å; A384-Y413 WeakPolarHBondContact CA-O 3.4Å
385	V	97.1	Very high	95.2	Very high	4 Å²	4	21.3 Å²	21.3	2%	0.024	13%	0.127	C	C	.	.	H	α-helix	trans	-55.1	-37.8	176	170.7	0	0	0	0	112.3	A59 T381 A382 A383 S387 Q388 A389	A59-V385 HydrophobicContact CB-CG1 4.43Å; T381-V385 PolarHBondContact O-N 2.63Å; T381-V385 VanDerWaalsContact O-N 3.09Å; A382-V385 PolarHBondContact O-N 3.46Å; A383-V385 VanDerWaalsContact C-N 3.35Å; A383-V385 PolarHBondContact O-N 2.92Å; V385-S387 PolarHBondContact O-N 2.95Å; V385-Q388 PolarHBondContact O-N 2.88Å; V385-A389 VanDerWaalsContact O-CB 3.25Å; V385-A389 WeakPolarHBondContact O-CB 3.41Å; V385-A389 PolarHBondContact O-N 2.82Å
386	S	96.7	Very high	95.3	Very high	2 Å²	2	20.6 Å²	20.6	1%	0.014	12%	0.121	C	C	.	.	H	α-helix	trans	-63.4	-41.3	179.5	71.8	0	0	0	0	113.5	A382 A383 A384 A390 S473 G474	A382-S386 PolarHBondContact O-N 3.02Å; A382-S386 VanDerWaalsContact O-N 3.07Å; A383-S386 PolarHBondContact O-N 2.78Å; A383-S386 PolarHBondContact O-OG 3.13Å; A384-S386 PolarHBondContact O-N 2.8Å; S386-A390 PolarHBondContact O-N 2.78Å; S386-S473 CarbonylContact O-C 3.36Å; S386-G474 VanDerWaalsContact OG-CA 3.29Å; S386-G474 WeakPolarHBondContact OG-CA 3.4Å; S386-G474 PolarHBondContact OG-N 3.05Å
387	S	96.7	Very high	95.4	Very high	13 Å²	13	20.8 Å²	20.8	9%	0.091	12%	0.123	C	C	.	.	H	α-helix	trans	-74.8	-39.4	175.1	-63.2	0	0	0	0	111.7	A384 V385 A390 T391 Y413	A384-S387 PolarHBondContact O-N 3Å; A384-S387 VanDerWaalsContact O-N 3.16Å; V385-S387 PolarHBondContact O-N 2.95Å; S387-A390 PolarHBondContact O-N 2.87Å; S387-T391 PolarHBondContact O-N 2.85Å; S387-T391 VanDerWaalsContact O-N 3.11Å; S387-T391 PolarHBondContact O-OG1 2.8Å; S387-Y413 VanDerWaalsContact OG-CD1 3.29Å; S387-Y413 WeakPolarHBondContact OG-CD1 3.29Å
388	Q	98.2	Very high	95.8	Very high	4 Å²	4	18.4 Å²	18.4	2%	0.019	11%	0.105	C	C	.	.	H	α-helix	trans	-61.1	-47.5	177.3	-71.2	165.4	13.5	0	0	111.7	L359 L370 L376 A384 V385 A390 T391 L392 Y410	L359-Q388 HydrophobicContact CD1-CB 3.62Å; L359-Q388 HydrophobicContact CD1-CG 4.03Å; L359-Q388 VanDerWaalsContact CD1-O 3.24Å; L359-Q388 WeakPolarHBondContact CD1-O 3.39Å; L359-Q388 HydrophobicContact CD2-CG 4.47Å; L370-Q388 HydrophobicContact CB-CB 4.22Å; L376-Q388 HydrophobicContact CD1-CG 4.24Å; A384-Q388 WeakPolarHBondContact O-CB 3.25Å; A384-Q388 WeakPolarHBondContact O-CG 3.24Å; A384-Q388 PolarHBondContact O-N 2.87Å; V385-Q388 PolarHBondContact O-N 2.88Å; Q388-A390 VanDerWaalsContact C-N 3.29Å; Q388-A390 PolarHBondContact O-N 3.32Å; Q388-T391 PolarHBondContact O-N 3.3Å; Q388-L392 WeakPolarHBondContact O-CB 3.44Å; Q388-L392 PolarHBondContact O-N 3.43Å; Q388-Y410 HydrophobicContact CG-CD1 3.85Å; Q388-Y410 HydrophobicContact CG-CD2 4.17Å; Q388-Y410 HydrophobicContact CG-CE1 3.72Å; Q388-Y410 HydrophobicContact CG-CE2 4.02Å; Q388-Y410 HydrophobicContact CG-CG 4.1Å
389	A	98.2	Very high	96.3	Very high	0 Å²	0	18 Å²	18	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-61.4	-38.6	-179.4	0	0	0	0	0	112	A63 M64 L370 V385 E393	A63-A389 HydrophobicContact CB-CB 4.23Å; M64-A389 HydrophobicContact SD-CB 3.81Å; L370-A389 HydrophobicContact CD1-CB 4.09Å; V385-A389 VanDerWaalsContact O-CB 3.25Å; V385-A389 WeakPolarHBondContact O-CB 3.41Å; V385-A389 PolarHBondContact O-N 2.82Å; A389-E393 VanDerWaalsContact O-CB 3.25Å; A389-E393 WeakPolarHBondContact O-CB 3.37Å; A389-E393 PolarHBondContact O-N 2.91Å
390	A	97.1	Very high	96.9	Very high	12 Å²	12	18.7 Å²	18.7	10%	0.099	10%	0.104	C	C	.	.	H	α-helix	trans	-66.2	-40.9	176.3	0	0	0	0	0	112.5	S386 S387 Q388 K394	S386-A390 PolarHBondContact O-N 2.78Å; S387-A390 PolarHBondContact O-N 2.87Å; Q388-A390 VanDerWaalsContact C-N 3.29Å; Q388-A390 PolarHBondContact O-N 3.32Å; A390-K394 WeakPolarHBondContact O-CG 3.43Å; A390-K394 PolarHBondContact O-N 3.3Å
391	T	98.1	Very high	97.1	Very high	8 Å²	8	26 Å²	26	5%	0.049	14%	0.136	C	C	.	.	H	α-helix	trans	-67.1	-48.5	175.6	-71.6	0	0	0	0	111.7	K357 L359 S387 Q388 E393 K394 N395 S408 Y410	K357-T391 WeakPolarHBondContact O-CG2 3.49Å; L359-T391 HydrophobicContact CD1-CG2 4.48Å; S387-T391 PolarHBondContact O-N 2.85Å; S387-T391 VanDerWaalsContact O-N 3.11Å; S387-T391 PolarHBondContact O-OG1 2.8Å; Q388-T391 PolarHBondContact O-N 3.3Å; T391-E393 PolarHBondContact O-N 3.05Å; T391-K394 PolarHBondContact O-N 3.38Å; T391-N395 WeakPolarHBondContact CG2-ND2 3.4Å; T391-N395 PolarHBondContact O-N 2.85Å; T391-N395 PolarHBondContact O-ND2 2.93Å; T391-S408 WeakPolarHBondContact CG2-O 3.46Å; T391-S408 PolarHBondContact OG1-OG 3.11Å; T391-Y410 PolarHBondContact OG1-N 3.12Å
392	L	98.6	Very high	97.3	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-62.1	-44.6	-178.5	-161.5	160.6	0	0	0	111	M64 I175 L359 F368 L370 Q388 K394 N395 L396	M64-L392 HydrophobicContact CE-CB 4.36Å; M64-L392 HydrophobicContact CE-CD2 3.51Å; M64-L392 HydrophobicContact CE-CG 4.45Å; M64-L392 HydrophobicContact SD-CB 4.07Å; M64-L392 HydrophobicContact SD-CD2 4.07Å; M64-L392 HydrophobicContact SD-CG 4.47Å; I175-L392 HydrophobicContact CD1-CD2 3.77Å; I175-L392 HydrophobicContact CG1-CD2 4.19Å; I175-L392 HydrophobicContact CG2-CD1 4.32Å; L359-L392 HydrophobicContact CB-CD1 4.17Å; L359-L392 HydrophobicContact CB-CG 4.41Å; L359-L392 HydrophobicContact CD1-CB 3.99Å; L359-L392 HydrophobicContact CD1-CD1 4.39Å; F368-L392 HydrophobicContact CB-CD1 3.84Å; F368-L392 HydrophobicContact CB-CD2 4.17Å; F368-L392 HydrophobicContact CB-CG 4.09Å; F368-L392 HydrophobicContact CD1-CD2 4.4Å; F368-L392 HydrophobicContact CD1-CG 4.1Å; F368-L392 HydrophobicContact CG-CD2 4.34Å; F368-L392 HydrophobicContact CG-CG 4.36Å; L370-L392 HydrophobicContact CB-CD1 4.07Å; L370-L392 HydrophobicContact CD2-CD1 4.08Å; L370-L392 HydrophobicContact CG-CD1 4.46Å; Q388-L392 WeakPolarHBondContact O-CB 3.44Å; Q388-L392 PolarHBondContact O-N 3.43Å; L392-K394 PolarHBondContact O-N 3.42Å; L392-N395 PolarHBondContact O-N 2.85Å; L392-L396 HydrophobicContact CD2-CB 4.23Å; L392-L396 HydrophobicContact CD2-CD2 4.21Å; L392-L396 VanDerWaalsContact O-CB 3.25Å; L392-L396 WeakPolarHBondContact O-CB 3.29Å; L392-L396 PolarHBondContact O-N 3.39Å
393	E	98.4	Very high	97.4	Very high	27 Å²	27	29.1 Å²	29.1	13%	0.126	17%	0.173	C	C	.	.	H	α-helix	trans	-53.2	-52.7	176.1	177.1	-175.8	-168.8	0	0	111.4	M64 R67 H71 A389 T391 N395 C397	M64-E393 HydrophobicContact CE-CB 4.2Å; R67-E393 HydrophobicContact CB-CG 4.23Å; R67-E393 WeakPolarHBondContact CD-OE2 3.4Å; R67-E393 WeakPolarHBondContact CG-OE2 3.25Å; R67-E393 IonicContact CZ-OE2 2.66Å; R67-E393 IonicContact NE-OE2 3.86Å; R67-E393 IonicContact NH1-OE2 3.31Å; R67-E393 PolarHBondContact NH1-OE2 2.96Å; H71-E393 IonicContact CD2-OE1 3.91Å; H71-E393 IonicContact CE1-OE1 3.1Å; H71-E393 IonicContact NE2-OE1 2.63Å; H71-E393 PolarHBondContact NE2-OE1 3.13Å; A389-E393 VanDerWaalsContact O-CB 3.25Å; A389-E393 WeakPolarHBondContact O-CB 3.37Å; A389-E393 PolarHBondContact O-N 2.91Å; T391-E393 PolarHBondContact O-N 3.05Å; E393-N395 PolarHBondContact O-N 3.23Å; E393-C397 VanDerWaalsContact O-CB 3.29Å; E393-C397 WeakPolarHBondContact O-CB 3.44Å; E393-C397 PolarHBondContact O-N 3.21Å; E393-C397 PolarHBondContact O-SG 3.13Å; E393-C397 VanDerWaalsContact O-SG 3.33Å
394	K	98.1	Very high	97.5	Very high	121 Å²	121	34.8 Å²	34.8	53%	0.526	20%	0.195	S	C	.	.	H	α-helix	trans	-62.4	-46.6	-178.2	-70.7	177.1	178.7	-176.2	0	111.9	A390 T391 L392 D398 V407	A390-K394 WeakPolarHBondContact O-CG 3.43Å; A390-K394 PolarHBondContact O-N 3.3Å; T391-K394 PolarHBondContact O-N 3.38Å; L392-K394 PolarHBondContact O-N 3.42Å; K394-D398 WeakPolarHBondContact O-CB 3.48Å; K394-D398 PolarHBondContact O-N 3.25Å; K394-V407 HydrophobicContact CB-CG2 4.03Å
395	N	98.6	Very high	97.5	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-67.2	-42.8	-178.2	-70	-15.3	0	0	0	111.8	T358 T391 L392 E393 D398 V399 G405 V407 S408	T358-N395 WeakPolarHBondContact CA-ND2 3.5Å; T358-N395 PolarHBondContact O-ND2 3.36Å; T391-N395 WeakPolarHBondContact CG2-ND2 3.4Å; T391-N395 PolarHBondContact O-N 2.85Å; T391-N395 PolarHBondContact O-ND2 2.93Å; L392-N395 PolarHBondContact O-N 2.85Å; E393-N395 PolarHBondContact O-N 3.23Å; N395-D398 WeakPolarHBondContact O-CB 3.38Å; N395-D398 PolarHBondContact O-N 3.04Å; N395-V399 WeakPolarHBondContact O-CG2 3.4Å; N395-V399 PolarHBondContact O-N 2.84Å; N395-G405 WeakPolarHBondContact CB-O 3.49Å; N395-G405 PolarHBondContact OD1-O 3.05Å; N395-V407 WeakPolarHBondContact OD1-CG2 3.23Å; N395-V407 PolarHBondContact OD1-N 2.93Å; N395-S408 PolarHBondContact ND2-O 3.42Å; N395-S408 PolarHBondContact OD1-N 3.11Å; N395-S408 PolarHBondContact OD1-O 2.97Å
396	L	98.5	Very high	97.4	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-66.7	-43.5	178	178.9	57.4	0	0	0	111.6	I52 L68 Y173 I175 F368 L392 D398 V399 I400	I52-L396 HydrophobicContact CD1-CD2 3.93Å; I52-L396 HydrophobicContact CG2-CD2 4.33Å; L68-L396 HydrophobicContact CD1-CD2 4.1Å; L68-L396 HydrophobicContact CD2-CD2 4.11Å; Y173-L396 HydrophobicContact CD1-CD1 3.52Å; Y173-L396 HydrophobicContact CD2-CD1 4.36Å; Y173-L396 HydrophobicContact CE1-CD1 4.06Å; Y173-L396 HydrophobicContact CG-CD1 3.7Å; I175-L396 HydrophobicContact CD1-CD2 3.77Å; I175-L396 HydrophobicContact CG1-CD2 4.32Å; F368-L396 HydrophobicContact CD2-CD1 4.23Å; F368-L396 HydrophobicContact CE2-CD1 3.7Å; F368-L396 HydrophobicContact CZ-CD1 4.18Å; L392-L396 HydrophobicContact CD2-CB 4.23Å; L392-L396 HydrophobicContact CD2-CD2 4.21Å; L392-L396 VanDerWaalsContact O-CB 3.25Å; L392-L396 WeakPolarHBondContact O-CB 3.29Å; L392-L396 PolarHBondContact O-N 3.39Å; L396-D398 VanDerWaalsContact C-N 3.26Å; L396-D398 PolarHBondContact O-N 3.35Å; L396-V399 PolarHBondContact O-N 2.87Å; L396-I400 HydrophobicContact CD1-CD1 3.95Å; L396-I400 HydrophobicContact CD1-CG1 4.2Å; L396-I400 HydrophobicContact CG-CD1 3.88Å; L396-I400 WeakPolarHBondContact O-CB 3.47Å; L396-I400 VanDerWaalsContact O-CG1 3.27Å; L396-I400 WeakPolarHBondContact O-CG1 3.44Å; L396-I400 PolarHBondContact O-N 3.18Å
397	C	97.9	Very high	97.4	Very high	16 Å²	16	42.8 Å²	42.8	11%	0.108	24%	0.24	C	C	.	.	H	α-helix	trans	-62.5	-33.7	175.2	-74.7	0	0	0	0	112.5	E393 K401	E393-C397 VanDerWaalsContact O-CB 3.29Å; E393-C397 WeakPolarHBondContact O-CB 3.44Å; E393-C397 PolarHBondContact O-N 3.21Å; E393-C397 PolarHBondContact O-SG 3.13Å; E393-C397 VanDerWaalsContact O-SG 3.33Å; C397-K401 VanDerWaalsContact O-CG 3.32Å; C397-K401 WeakPolarHBondContact O-CG 3.35Å; C397-K401 PolarHBondContact O-N 3.37Å
398	D	98.1	Very high	97.4	Very high	40 Å²	40	43.2 Å²	43.2	21%	0.214	24%	0.243	C	C	.	.	H	α-helix	trans	-66	-49.4	173.5	-176.5	66.4	0	0	0	111.5	K394 N395 L396 I400 K401 G402 G403 Q404 G405 V407	K394-D398 WeakPolarHBondContact O-CB 3.48Å; K394-D398 PolarHBondContact O-N 3.25Å; N395-D398 WeakPolarHBondContact O-CB 3.38Å; N395-D398 PolarHBondContact O-N 3.04Å; L396-D398 VanDerWaalsContact C-N 3.26Å; L396-D398 PolarHBondContact O-N 3.35Å; D398-I400 VanDerWaalsContact C-N 3.3Å; D398-I400 PolarHBondContact O-N 2.99Å; D398-K401 CarbonylContact O-C 3.54Å; D398-K401 WeakPolarHBondContact O-CA 3.38Å; D398-K401 PolarHBondContact O-N 3.45Å; D398-G402 PolarHBondContact O-N 3.47Å; D398-G403 WeakPolarHBondContact O-CA 3.37Å; D398-G403 PolarHBondContact O-N 2.99Å; D398-G403 WeakPolarHBondContact OD2-CA 3.36Å; D398-Q404 PolarHBondContact OD2-N 3.32Å; D398-Q404 VanDerWaalsContact OD2-N 3.11Å; D398-G405 PolarHBondContact OD2-N 3.35Å; D398-V407 HydrophobicContact CB-CG1 4.14Å; D398-V407 HydrophobicContact CB-CG2 3.86Å
399	V	97.9	Very high	97.4	Very high	17 Å²	17	47.9 Å²	47.9	10%	0.103	27%	0.265	C	S	.	.	H	α-helix	trans	-57.6	-42.9	176.3	173.9	0	0	0	0	111.7	Y173 F368 N395 L396 K401 G402 G405	Y173-V399 HydrophobicContact CE1-CG1 3.69Å; F368-V399 HydrophobicContact CZ-CG2 4.48Å; N395-V399 WeakPolarHBondContact O-CG2 3.4Å; N395-V399 PolarHBondContact O-N 2.84Å; L396-V399 PolarHBondContact O-N 2.87Å; V399-K401 PolarHBondContact O-N 3.31Å; V399-G402 PolarHBondContact O-N 2.8Å; V399-G405 VanDerWaalsContact CG2-CA 3.43Å
400	I	97.1	Very high	97.4	Very high	39 Å²	39	48 Å²	48	20%	0.2	27%	0.266	C	S	.	.	H	α-helix	trans	-62.2	-25.8	178.4	-71.8	169.7	0	0	0	112	I52 F72 Y173 L396 D398 G402	I52-I400 HydrophobicContact CD1-CD1 3.91Å; I52-I400 HydrophobicContact CG1-CD1 4.4Å; F72-I400 HydrophobicContact CE1-CD1 4.23Å; F72-I400 HydrophobicContact CE1-CG2 4.21Å; F72-I400 HydrophobicContact CE2-CD1 4.28Å; F72-I400 HydrophobicContact CZ-CD1 3.51Å; F72-I400 HydrophobicContact CZ-CG2 4.28Å; Y173-I400 HydrophobicContact CD2-CD1 4.15Å; Y173-I400 HydrophobicContact CD2-CG1 4Å; Y173-I400 HydrophobicContact CE1-CG1 4.47Å; Y173-I400 HydrophobicContact CE2-CD1 4.1Å; Y173-I400 HydrophobicContact CE2-CG1 3.46Å; Y173-I400 VanDerWaalsContact CE2-CG1 3.46Å; L396-I400 HydrophobicContact CD1-CD1 3.95Å; L396-I400 HydrophobicContact CD1-CG1 4.2Å; L396-I400 HydrophobicContact CG-CD1 3.88Å; L396-I400 WeakPolarHBondContact O-CB 3.47Å; L396-I400 VanDerWaalsContact O-CG1 3.27Å; L396-I400 WeakPolarHBondContact O-CG1 3.44Å; L396-I400 PolarHBondContact O-N 3.18Å; D398-I400 VanDerWaalsContact C-N 3.3Å; D398-I400 PolarHBondContact O-N 2.99Å; I400-G402 VanDerWaalsContact C-N 3.34Å
401	K	96.6	Very high	97.3	Very high	179 Å²	179	50.1 Å²	50.1	78%	0.778	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.5	6	175.9	-67.4	171.8	-176.7	179.2	0	113.3	C397 D398 V399	C397-K401 VanDerWaalsContact O-CG 3.32Å; C397-K401 WeakPolarHBondContact O-CG 3.35Å; C397-K401 PolarHBondContact O-N 3.37Å; D398-K401 CarbonylContact O-C 3.54Å; D398-K401 WeakPolarHBondContact O-CA 3.38Å; D398-K401 PolarHBondContact O-N 3.45Å; V399-K401 PolarHBondContact O-N 3.31Å
402	G	96.1	Very high	97.2	Very high	72 Å²	72	49.7 Å²	49.7	74%	0.742	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	87.5	9.6	-177.6	0	0	0	0	0	114.6	D398 V399 I400	D398-G402 PolarHBondContact O-N 3.47Å; V399-G402 PolarHBondContact O-N 2.8Å; I400-G402 VanDerWaalsContact C-N 3.34Å
403	G	97.1	Very high	97	Very high	30 Å²	30	50.2 Å²	50.2	31%	0.309	28%	0.275	S	S	.	.			trans	-77.6	178.3	173.5	0	0	0	0	0	113.5	D398	D398-G403 WeakPolarHBondContact O-CA 3.37Å; D398-G403 PolarHBondContact O-N 2.99Å; D398-G403 WeakPolarHBondContact OD2-CA 3.36Å
404	Q	95.6	Very high	96.9	Very high	145 Å²	145	48.9 Å²	48.9	68%	0.678	27%	0.269	S	S	*	.			trans	-84.9	-16.2	-176.6	-68.5	-174.8	-5.7	0	0	113.8	D398 N406	D398-Q404 PolarHBondContact OD2-N 3.32Å; D398-Q404 VanDerWaalsContact OD2-N 3.11Å; Q404-N406 PolarHBondContact OE1-ND2 2.9Å; Q404-N406 VanDerWaalsContact OE1-ND2 3.08Å
405	G	96.1	Very high	96.8	Very high	1 Å²	1	43.6 Å²	43.6	1%	0.01	25%	0.248	C	C	.	.	S	Bend	trans	77.8	30.5	-178.6	0	0	0	0	0	114.8	N395 D398 V399	N395-G405 WeakPolarHBondContact CB-O 3.49Å; N395-G405 PolarHBondContact OD1-O 3.05Å; D398-G405 PolarHBondContact OD2-N 3.35Å; V399-G405 VanDerWaalsContact CG2-CA 3.43Å
406	N	95.8	Very high	96.6	Very high	87 Å²	87	43.7 Å²	43.7	47%	0.465	25%	0.248	S	C	.	.			trans	-125.9	19.8	-179.2	59.6	3.5	0	0	0	113.2	T358 Q404 S408	T358-N406 HydrophobicContact CG2-CB 4.45Å; Q404-N406 PolarHBondContact OE1-ND2 2.9Å; Q404-N406 VanDerWaalsContact OE1-ND2 3.08Å; N406-S408 PolarHBondContact O-N 3.34Å
407	V	97.2	Very high	96.5	Very high	87 Å²	87	44.5 Å²	44.5	53%	0.527	25%	0.253	S	S	.	.	S	Bend	trans	-72.2	-14.4	-179.5	-64	0	0	0	0	113.9	K394 N395 D398	K394-V407 HydrophobicContact CB-CG2 4.03Å; N395-V407 WeakPolarHBondContact OD1-CG2 3.23Å; N395-V407 PolarHBondContact OD1-N 2.93Å; D398-V407 HydrophobicContact CB-CG1 4.14Å; D398-V407 HydrophobicContact CB-CG2 3.86Å
408	S	97	Very high	96.5	Very high	22 Å²	22	43.8 Å²	43.8	15%	0.154	25%	0.249	C	C	.	.			trans	-140.5	141.6	176.4	-168	0	0	0	0	110.7	T391 N395 N406	T391-S408 WeakPolarHBondContact CG2-O 3.46Å; T391-S408 PolarHBondContact OG1-OG 3.11Å; N395-S408 PolarHBondContact ND2-O 3.42Å; N395-S408 PolarHBondContact OD1-N 3.11Å; N395-S408 PolarHBondContact OD1-O 2.97Å; N406-S408 PolarHBondContact O-N 3.34Å
409	E	97.3	Very high	96.5	Very high	103 Å²	103	41.9 Å²	41.9	48%	0.481	24%	0.238	S	C	.	.			trans	-118.1	132.9	175.2	-61.2	-167.6	159.7	0	0	110.4	K357	K357-E409 HydrophobicContact CB-CB 4.18Å; K357-E409 HydrophobicContact CB-CG 4.19Å; K357-E409 HydrophobicContact CD-CG 4.39Å; K357-E409 WeakPolarHBondContact CE-OE2 3.11Å; K357-E409 VanDerWaalsContact NZ-CD 3.26Å; K357-E409 IonicContact NZ-OE1 3.23Å; K357-E409 PolarHBondContact NZ-OE1 3.15Å; K357-E409 IonicContact NZ-OE2 3.49Å; K357-E409 PolarHBondContact NZ-OE2 2.96Å
410	Y	97.3	Very high	96.5	Very high	2 Å²	2	41.1 Å²	41.1	1%	0.008	23%	0.234	C	C	.	.			trans	-80.7	122.2	165.1	174.3	-127.6	0	0	0	108.8	K357 L359 L376 A384 Q388 T391 G412 Y413 Y432	K357-Y410 PolarHBondContact O-N 2.96Å; L359-Y410 HydrophobicContact CD2-CD1 4.23Å; L376-Y410 HydrophobicContact CD1-CD1 4.38Å; L376-Y410 HydrophobicContact CD1-CE1 4.04Å; A384-Y410 WeakPolarHBondContact CB-OH 3.05Å; Q388-Y410 HydrophobicContact CG-CD1 3.85Å; Q388-Y410 HydrophobicContact CG-CD2 4.17Å; Q388-Y410 HydrophobicContact CG-CE1 3.72Å; Q388-Y410 HydrophobicContact CG-CE2 4.02Å; Q388-Y410 HydrophobicContact CG-CG 4.1Å; T391-Y410 PolarHBondContact OG1-N 3.12Å; Y410-G412 VanDerWaalsContact C-N 3.3Å; Y410-G412 VanDerWaalsContact CZ-CA 3.42Å; Y410-G412 PolarHBondContact O-N 2.8Å; Y410-G412 PolarHBondContact OH-O 3.11Å; Y410-Y413 WeakPolarHBondContact CE2-O 3.49Å; Y410-Y413 PolarHBondContact OH-O 2.71Å; Y410-Y432 HydrophobicContact CD1-CE2 4.35Å; Y410-Y432 AromaticContact CD1-CZ 3.88Å; Y410-Y432 WeakPolarHBondContact CD1-OH 3.38Å; Y410-Y432 HydrophobicContact CE1-CE1 4.37Å; Y410-Y432 AromaticContact CE1-CZ 3.79Å; Y410-Y432 WeakPolarHBondContact CE1-OH 3.27Å; Y410-Y432 WeakPolarHBondContact O-CE2 3.33Å
411	D	95.2	Very high	96.5	Very high	56 Å²	56	39.2 Å²	39.2	30%	0.299	22%	0.224	S	C	.	.			trans	-89.2	6.5	-175.1	57.7	6.1	0	0	0	113.4	Y413 Y432	D411-Y413 VanDerWaalsContact C-N 3.33Å; D411-Y413 WeakPolarHBondContact OD1-CB 3.39Å; D411-Y413 PolarHBondContact OD1-N 3.08Å; D411-Y432 VanDerWaalsContact C-CD2 3.41Å; D411-Y432 WeakPolarHBondContact O-CD2 3.37Å
412	G	95.9	Very high	96.6	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	20%	0.195	C	C	.	.			trans	84	7.4	-176.8	0	0	0	0	0	113.8	T378 Y410 T414 Y432	T378-G412 VanDerWaalsContact CG2-O 3.23Å; T378-G412 WeakPolarHBondContact CG2-O 3.41Å; Y410-G412 VanDerWaalsContact C-N 3.3Å; Y410-G412 VanDerWaalsContact CZ-CA 3.42Å; Y410-G412 PolarHBondContact O-N 2.8Å; Y410-G412 PolarHBondContact OH-O 3.11Å; G412-T414 PolarHBondContact O-N 2.99Å; G412-T414 VanDerWaalsContact O-N 3.14Å; G412-T414 PolarHBondContact O-OG1 2.97Å; G412-Y432 VanDerWaalsContact CA-CD2 3.45Å; G412-Y432 VanDerWaalsContact CA-CZ 3.5Å
413	Y	96.3	Very high	96.7	Very high	10 Å²	10	32.4 Å²	32.4	4%	0.039	18%	0.176	C	C	.	.			trans	-49.7	122.6	179	172.7	-96.8	0	0	0	112.4	A383 A384 S387 Y410 D411 A415 E429 F430 L437 P475 R479	A383-Y413 HydrophobicContact CB-CE1 4.24Å; A384-Y413 WeakPolarHBondContact CA-O 3.4Å; S387-Y413 VanDerWaalsContact OG-CD1 3.29Å; S387-Y413 WeakPolarHBondContact OG-CD1 3.29Å; Y410-Y413 WeakPolarHBondContact CE2-O 3.49Å; Y410-Y413 PolarHBondContact OH-O 2.71Å; D411-Y413 VanDerWaalsContact C-N 3.33Å; D411-Y413 WeakPolarHBondContact OD1-CB 3.39Å; D411-Y413 PolarHBondContact OD1-N 3.08Å; Y413-A415 HydrophobicContact CE1-CB 4.49Å; Y413-A415 WeakPolarHBondContact OH-CB 3.25Å; Y413-E429 HydrophobicContact CE2-CB 4.16Å; Y413-E429 HydrophobicContact CE2-CG 3.97Å; Y413-E429 WeakPolarHBondContact CE2-OE2 3.41Å; Y413-E429 VanDerWaalsContact CZ-OE2 3.25Å; Y413-E429 PolarHBondContact OH-OE2 3.42Å; Y413-F430 WeakPolarHBondContact CA-O 3.12Å; Y413-L437 HydrophobicContact CD2-CD2 4.08Å; Y413-P475 HydrophobicContact CE1-CG 3.67Å; Y413-P475 HydrophobicContact CE2-CG 3.93Å; Y413-P475 WeakPolarHBondContact OH-CG 3.27Å; Y413-R479 VanDerWaalsContact CD2-NH1 3.29Å
414	T	95.2	Very high	96.7	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	146.6	177.3	-77.9	0	0	0	0	109.1	T381 G412 E429 F430	T381-T414 HydrophobicContact CG2-CG2 4.07Å; G412-T414 PolarHBondContact O-N 2.99Å; G412-T414 VanDerWaalsContact O-N 3.14Å; G412-T414 PolarHBondContact O-OG1 2.97Å; T414-E429 WeakPolarHBondContact O-CA 3.38Å; T414-F430 HydrophobicContact CG2-CE1 4Å; T414-F430 HydrophobicContact CG2-CE2 3.86Å; T414-F430 HydrophobicContact CG2-CZ 3.48Å; T414-F430 VanDerWaalsContact CG2-CZ 3.48Å; T414-F430 PolarHBondContact N-O 2.54Å; T414-F430 PolarHBondContact O-N 3.04Å
415	A	95.5	Very high	96.8	Very high	10 Å²	10	26.2 Å²	26.2	8%	0.083	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	140.4	173.9	0	0	0	0	0	112.3	A383 Y413 A428 E429	A383-A415 HydrophobicContact CB-CB 3.49Å; A383-A415 VanDerWaalsContact CB-CB 3.49Å; Y413-A415 HydrophobicContact CE1-CB 4.49Å; Y413-A415 WeakPolarHBondContact OH-CB 3.25Å; A415-A428 CarbonylContact C-O 3.45Å; A415-A428 VanDerWaalsContact CA-O 3.28Å; A415-A428 WeakPolarHBondContact CA-O 3.5Å; A415-E429 HydrophobicContact CB-CG 3.62Å
416	C	95	Very high	96.9	Very high	2 Å²	2	26.2 Å²	26.2	1%	0.014	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	95.6	171.1	-169.4	0	0	0	0	109.5	C235 F271 I418 A428	C235-C416 PolarHBondContact SG-SG 3.4Å; F271-C416 HydrophobicContact CE2-CB 4.4Å; F271-C416 HydrophobicContact CZ-CB 4.12Å; C416-I418 HydrophobicContact CB-CG1 4.36Å; C416-I418 PolarHBondContact O-N 3.3Å; C416-I418 WeakPolarHBondContact SG-CG1 3.28Å; C416-A428 HydrophobicContact CB-CB 4.3Å; C416-A428 PolarHBondContact N-O 3.41Å; C416-A428 PolarHBondContact O-N 2.89Å
417	P	96.6	Very high	97	Very high	17 Å²	17	22.5 Å²	22.5	11%	0.11	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	109	165.1	27.4	-35	0	0	0	109.1	K241 I427 K455 L459	K241-P417 WeakPolarHBondContact CE-O 3.45Å; K241-P417 PolarHBondContact NZ-O 3.23Å; P417-I427 HydrophobicContact CB-CG1 4.29Å; P417-K455 HydrophobicContact CB-CB 4.04Å; P417-K455 HydrophobicContact CB-CD 3.98Å; P417-K455 HydrophobicContact CB-CG 4.23Å; P417-K455 HydrophobicContact CG-CD 3.7Å; P417-K455 HydrophobicContact CG-CG 4.48Å; P417-L459 HydrophobicContact CB-CD1 4.15Å; P417-L459 HydrophobicContact CG-CD1 3.65Å
418	I	97.7	Very high	96.9	Very high	1 Å²	1	18.3 Å²	18.3	1%	0.005	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	101.3	-179.3	-58	170.2	0	0	0	107	K241 Y244 F271 L280 C416 T420 G425 I426	K241-I418 HydrophobicContact CG-CB 4.46Å; K241-I418 HydrophobicContact CG-CG2 4Å; Y244-I418 HydrophobicContact CD2-CG2 4.09Å; Y244-I418 HydrophobicContact CE2-CG2 3.97Å; F271-I418 HydrophobicContact CD2-CD1 4.19Å; F271-I418 HydrophobicContact CE2-CD1 3.92Å; L280-I418 HydrophobicContact CD1-CD1 3.9Å; L280-I418 HydrophobicContact CD2-CD1 4.39Å; L280-I418 HydrophobicContact CD2-CG2 4.29Å; C416-I418 HydrophobicContact CB-CG1 4.36Å; C416-I418 PolarHBondContact O-N 3.3Å; C416-I418 WeakPolarHBondContact SG-CG1 3.28Å; I418-T420 HydrophobicContact CG2-CG2 4.14Å; I418-T420 PolarHBondContact O-N 2.63Å; I418-G425 CarbonylContact O-C 3.45Å; I418-G425 WeakPolarHBondContact O-CA 3.41Å; I418-I426 HydrophobicContact CB-CG1 3.83Å; I418-I426 HydrophobicContact CD1-CD1 4.23Å; I418-I426 HydrophobicContact CD1-CG1 4.36Å; I418-I426 HydrophobicContact CG1-CG1 4.48Å; I418-I426 PolarHBondContact N-O 2.73Å; I418-I426 PolarHBondContact O-N 2.88Å
419	V	98.1	Very high	96.9	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	126.7	166.8	-73.9	0	0	0	0	108.5	L121 K241 L245 Y452 K455	L121-V419 HydrophobicContact CD2-CG1 4.4Å; L121-V419 HydrophobicContact CD2-CG2 4.17Å; K241-V419 HydrophobicContact CB-CG2 3.92Å; K241-V419 HydrophobicContact CD-CG2 4.11Å; K241-V419 HydrophobicContact CG-CG2 3.81Å; L245-V419 HydrophobicContact CD1-CG2 3.76Å; L245-V419 HydrophobicContact CD2-CB 4.48Å; L245-V419 HydrophobicContact CD2-CG2 4.32Å; L245-V419 HydrophobicContact CG-CG2 4.15Å; V419-Y452 HydrophobicContact CG1-CD2 3.91Å; V419-K455 HydrophobicContact CG1-CB 4.03Å; V419-K455 HydrophobicContact CG1-CG 3.78Å
420	T	98	Very high	96.8	Very high	0 Å²	0	13 Å²	13	0%	0	6%	0.064	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	10.5	-178.3	51.9	0	0	0	0	110.7	Y244 I283 R287 I418 R424 G425 E447	Y244-T420 HydrophobicContact CD2-CG2 3.8Å; Y244-T420 HydrophobicContact CE2-CG2 4Å; Y244-T420 HydrophobicContact CG-CG2 4.23Å; I283-T420 HydrophobicContact CD1-CG2 4.22Å; R287-T420 PolarHBondContact NH1-O 3.5Å; R287-T420 PolarHBondContact NH2-O 2.98Å; I418-T420 HydrophobicContact CG2-CG2 4.14Å; I418-T420 PolarHBondContact O-N 2.63Å; T420-R424 PolarHBondContact N-O 2.76Å; T420-R424 PolarHBondContact OG1-O 3.25Å; T420-G425 VanDerWaalsContact OG1-CA 3.28Å; T420-G425 WeakPolarHBondContact OG1-CA 3.36Å; T420-G425 PolarHBondContact OG1-N 3.01Å; T420-E447 WeakPolarHBondContact CB-OE1 3.46Å; T420-E447 PolarHBondContact OG1-OE1 3.45Å
421	G	97.9	Very high	96.7	Very high	0 Å²	0	13.6 Å²	13.6	0%	0	7%	0.067	C	C	.	.	E	Extended strand (participates in β ladder)	trans	168.1	179.9	176.9	0	0	0	0	0	111	D248 N423 R424 Y452	D248-G421 WeakPolarHBondContact OD2-CA 3.14Å; G421-N423 PolarHBondContact O-N 2.85Å; G421-N423 VanDerWaalsContact O-N 3.16Å; G421-R424 PolarHBondContact N-O 3.06Å; G421-Y452 VanDerWaalsContact O-CD2 3.24Å; G421-Y452 WeakPolarHBondContact O-CD2 3.42Å
422	Y	97.4	Very high	96.6	Very high	45 Å²	45	13.8 Å²	13.8	18%	0.176	6%	0.064	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.4	4.3	-179.5	-69.9	-102.8	0	0	0	113.7	A124 I126 L245 D248 Y249 Y452	A124-Y422 WeakPolarHBondContact O-CE1 3.27Å; A124-Y422 PolarHBondContact O-OH 2.85Å; I126-Y422 HydrophobicContact CD1-CD1 3.79Å; I126-Y422 HydrophobicContact CD1-CE1 3.84Å; I126-Y422 HydrophobicContact CD1-CG 4.47Å; I126-Y422 HydrophobicContact CG1-CD1 3.62Å; I126-Y422 HydrophobicContact CG1-CE1 3.47Å; I126-Y422 VanDerWaalsContact CG1-CE1 3.47Å; L245-Y422 HydrophobicContact CD2-CD2 4.26Å; L245-Y422 HydrophobicContact CD2-CE2 4.23Å; L245-Y422 VanDerWaalsContact O-CE2 3.27Å; L245-Y422 WeakPolarHBondContact O-CE2 3.47Å; D248-Y422 HydrophobicContact CB-CD2 4.07Å; D248-Y422 HydrophobicContact CB-CE2 4.49Å; D248-Y422 WeakPolarHBondContact OD2-CD2 3.28Å; D248-Y422 PolarHBondContact OD2-N 2.88Å; Y249-Y422 WeakPolarHBondContact CD2-OH 3.44Å; Y422-Y452 VanDerWaalsContact C-CE2 3.47Å; Y422-Y452 WeakPolarHBondContact O-CE1 3.35Å; Y422-Y452 WeakPolarHBondContact O-CE2 3.3Å; Y422-Y452 PolarHBondContact O-OH 3.09Å
423	N	97.5	Very high	96.5	Very high	62 Å²	62	22.7 Å²	22.7	33%	0.332	10%	0.098	S	C	.	.	T	Hydrogen-bonded Turn	trans	-153.8	15.8	179.6	70.2	-19.2	0	0	0	112.9	R252 G421 Y449	R252-N423 PolarHBondContact NH2-ND2 2.81Å; R252-N423 PolarHBondContact NH2-OD1 2.73Å; G421-N423 PolarHBondContact O-N 2.85Å; G421-N423 VanDerWaalsContact O-N 3.16Å; N423-Y449 HydrophobicContact CB-CD2 4.08Å; N423-Y449 HydrophobicContact CB-CE2 4.46Å; N423-Y449 VanDerWaalsContact O-CA 3.26Å; N423-Y449 WeakPolarHBondContact O-CA 3.43Å; N423-Y449 WeakPolarHBondContact O-CD2 3.33Å
424	R	97.9	Very high	96.3	Very high	46 Å²	46	24.1 Å²	24.1	17%	0.174	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156	150.6	-175.7	56.9	-168.6	-176.2	-82.5	-1.7	111.4	E247 D248 T420 G421 E447 R448	E247-R424 IonicContact OE2-NH2 3.93Å; D248-R424 VanDerWaalsContact CG-NH1 3.33Å; D248-R424 VanDerWaalsContact CG-NH2 3.31Å; D248-R424 IonicContact OD1-CZ 3.21Å; D248-R424 IonicContact OD1-NH1 2.82Å; D248-R424 PolarHBondContact OD1-NH1 2.65Å; D248-R424 IonicContact OD1-NH2 2.71Å; D248-R424 PolarHBondContact OD1-NH2 3.18Å; D248-R424 IonicContact OD2-CZ 3.98Å; D248-R424 IonicContact OD2-NH1 3.33Å; D248-R424 PolarHBondContact OD2-NH1 3.07Å; D248-R424 IonicContact OD2-NH2 3.99Å; T420-R424 PolarHBondContact N-O 2.76Å; T420-R424 PolarHBondContact OG1-O 3.25Å; G421-R424 PolarHBondContact N-O 3.06Å; R424-E447 HydrophobicContact CB-CB 4.5Å; R424-E447 WeakPolarHBondContact CD-OE1 3.41Å; R424-E447 IonicContact NE-OE1 2.72Å; R424-R448 WeakPolarHBondContact CA-O 3.47Å
425	G	98.1	Very high	96.2	Very high	0 Å²	0	29 Å²	29	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-164.2	178.6	176.8	0	0	0	0	0	110.2	I418 T420 E447 R448 F451	I418-G425 CarbonylContact O-C 3.45Å; I418-G425 WeakPolarHBondContact O-CA 3.41Å; T420-G425 VanDerWaalsContact OG1-CA 3.28Å; T420-G425 WeakPolarHBondContact OG1-CA 3.36Å; T420-G425 PolarHBondContact OG1-N 3.01Å; G425-E447 WeakPolarHBondContact O-CA 3.39Å; G425-R448 PolarHBondContact N-O 3.48Å; G425-R448 VanDerWaalsContact N-O 3.14Å; G425-R448 PolarHBondContact O-N 3.27Å; G425-F451 WeakPolarHBondContact O-CB 3.31Å; G425-F451 VanDerWaalsContact O-CD2 3.29Å; G425-F451 WeakPolarHBondContact O-CD2 3.45Å
426	I	98	Very high	96.1	Very high	1 Å²	1	29.1 Å²	29.1	1%	0.005	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	160.8	167.4	69.1	163.8	0	0	0	108.6	L280 I418 Q444 G445 E447	L280-I426 HydrophobicContact CD1-CD1 4.23Å; L280-I426 HydrophobicContact CD2-CD1 3.73Å; L280-I426 HydrophobicContact CD2-CG1 4.45Å; L280-I426 HydrophobicContact CG-CD1 3.88Å; I418-I426 HydrophobicContact CB-CG1 3.83Å; I418-I426 HydrophobicContact CD1-CD1 4.23Å; I418-I426 HydrophobicContact CD1-CG1 4.36Å; I418-I426 HydrophobicContact CG1-CG1 4.48Å; I418-I426 PolarHBondContact N-O 2.73Å; I418-I426 PolarHBondContact O-N 2.88Å; I426-Q444 VanDerWaalsContact CB-O 3.3Å; I426-Q444 WeakPolarHBondContact CB-O 3.33Å; I426-G445 VanDerWaalsContact CG2-O 3.3Å; I426-G445 WeakPolarHBondContact CG2-O 3.47Å; I426-E447 HydrophobicContact CG2-CG 4.25Å
427	I	97.2	Very high	96.1	Very high	8 Å²	8	30.3 Å²	30.3	4%	0.041	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	104.4	171	-63.6	-177.3	0	0	0	108.4	P417 E429 Q444 F451 M454	P417-I427 HydrophobicContact CB-CG1 4.29Å; I427-E429 HydrophobicContact CG2-CG 3.86Å; I427-E429 PolarHBondContact O-N 3.46Å; I427-Q444 HydrophobicContact CB-CB 4.29Å; I427-Q444 PolarHBondContact N-O 3.42Å; I427-Q444 WeakPolarHBondContact O-CB 3.32Å; I427-Q444 PolarHBondContact O-NE2 2.84Å; I427-F451 HydrophobicContact CB-CD1 4.21Å; I427-F451 HydrophobicContact CB-CE1 4.49Å; I427-F451 HydrophobicContact CD1-CB 4.29Å; I427-F451 HydrophobicContact CD1-CD1 3.42Å; I427-F451 VanDerWaalsContact CD1-CD1 3.42Å; I427-F451 HydrophobicContact CD1-CE1 4.09Å; I427-F451 HydrophobicContact CD1-CG 4.16Å; I427-F451 HydrophobicContact CG1-CB 3.91Å; I427-F451 HydrophobicContact CG1-CD1 3.54Å; I427-F451 HydrophobicContact CG1-CE1 4.25Å; I427-F451 HydrophobicContact CG1-CG 3.84Å; I427-M454 HydrophobicContact CD1-CB 4.33Å; I427-M454 HydrophobicContact CD1-CE 3.67Å; I427-M454 HydrophobicContact CD1-SD 3.68Å
428	A	96.7	Very high	96	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	108.7	175	0	0	0	0	0	110.1	F271 Y276 A415 C416	F271-A428 HydrophobicContact CE1-CB 3.79Å; F271-A428 HydrophobicContact CZ-CB 3.78Å; Y276-A428 HydrophobicContact CD1-CB 4.06Å; Y276-A428 HydrophobicContact CD2-CB 3.39Å; Y276-A428 HydrophobicContact CE1-CB 4.24Å; Y276-A428 HydrophobicContact CE2-CB 3.65Å; Y276-A428 HydrophobicContact CG-CB 3.65Å; Y276-A428 VanDerWaalsContact CZ-CA 3.48Å; A415-A428 CarbonylContact C-O 3.45Å; A415-A428 VanDerWaalsContact CA-O 3.28Å; A415-A428 WeakPolarHBondContact CA-O 3.5Å; C416-A428 HydrophobicContact CB-CB 4.3Å; C416-A428 PolarHBondContact N-O 3.41Å; C416-A428 PolarHBondContact O-N 2.89Å
429	E	96.5	Very high	95.9	Very high	6 Å²	6	30.8 Å²	30.8	3%	0.028	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	135	174.8	-77.4	176.2	-84.4	0	0	110.9	Y276 Y413 T414 A415 I427 P436 L437 T439 Q444	Y276-E429 PolarHBondContact OH-N 2.92Å; Y276-E429 PolarHBondContact OH-O 3.35Å; Y413-E429 HydrophobicContact CE2-CB 4.16Å; Y413-E429 HydrophobicContact CE2-CG 3.97Å; Y413-E429 WeakPolarHBondContact CE2-OE2 3.41Å; Y413-E429 VanDerWaalsContact CZ-OE2 3.25Å; Y413-E429 PolarHBondContact OH-OE2 3.42Å; T414-E429 WeakPolarHBondContact O-CA 3.38Å; A415-E429 HydrophobicContact CB-CG 3.62Å; I427-E429 HydrophobicContact CG2-CG 3.86Å; I427-E429 PolarHBondContact O-N 3.46Å; E429-P436 CarbonylContact O-C 3.47Å; E429-P436 VanDerWaalsContact O-CA 3.29Å; E429-P436 WeakPolarHBondContact O-CA 3.36Å; E429-L437 WeakPolarHBondContact CB-O 3.38Å; E429-L437 PolarHBondContact O-N 2.78Å; E429-T439 WeakPolarHBondContact OE1-CB 3.27Å; E429-T439 PolarHBondContact OE1-N 3.23Å; E429-T439 PolarHBondContact OE1-OG1 3.45Å; E429-T439 WeakPolarHBondContact OE2-CB 3.47Å; E429-T439 PolarHBondContact OE2-OG1 3.02Å; E429-Q444 PolarHBondContact OE1-NE2 3.39Å; E429-Q444 PolarHBondContact OE1-OE1 3.29Å
430	F	95.5	Very high	95.6	Very high	8 Å²	8	32.3 Å²	32.3	4%	0.035	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.6	168.7	-174.3	54.2	-85.1	0	0	0	113.6	F271 V273 Y276 Y413 T414 K435	F271-F430 HydrophobicContact CE1-CD1 4.23Å; F271-F430 AromaticContact CE1-CE1 3.67Å; F271-F430 HydrophobicContact CE1-CE1 3.67Å; F271-F430 HydrophobicContact CE1-CZ 4.27Å; F271-F430 AromaticContact CZ-CE1 3.76Å; F271-F430 HydrophobicContact CZ-CE1 3.76Å; F271-F430 HydrophobicContact CZ-CZ 4.26Å; V273-F430 HydrophobicContact CG2-CB 3.74Å; V273-F430 HydrophobicContact CG2-CD1 3.72Å; V273-F430 HydrophobicContact CG2-CD2 3.91Å; V273-F430 HydrophobicContact CG2-CE1 4.29Å; V273-F430 HydrophobicContact CG2-CE2 4.44Å; V273-F430 HydrophobicContact CG2-CG 3.51Å; Y276-F430 HydrophobicContact CE2-CD1 4.3Å; Y413-F430 WeakPolarHBondContact CA-O 3.12Å; T414-F430 HydrophobicContact CG2-CE1 4Å; T414-F430 HydrophobicContact CG2-CE2 3.86Å; T414-F430 HydrophobicContact CG2-CZ 3.48Å; T414-F430 VanDerWaalsContact CG2-CZ 3.48Å; T414-F430 PolarHBondContact N-O 2.54Å; T414-F430 PolarHBondContact O-N 3.04Å; F430-K435 CarbonylContact C-O 3.52Å; F430-K435 WeakPolarHBondContact CA-O 3.45Å; F430-K435 WeakPolarHBondContact CB-O 3.28Å
431	D	94.9	Very high	95.3	Very high	13 Å²	13	36.1 Å²	36.1	7%	0.07	17%	0.173	C	C	.	.			trans	-108.6	-172.9	180	73.5	2.8	0	0	0	113.3	R433 A434 K435 L437	D431-R433 PolarHBondContact O-N 3.3Å; D431-R433 VanDerWaalsContact O-N 3.15Å; D431-R433 WeakPolarHBondContact OD1-CA 3.38Å; D431-R433 WeakPolarHBondContact OD1-CB 3.46Å; D431-R433 PolarHBondContact OD1-N 2.96Å; D431-R433 IonicContact OD1-NE 3.14Å; D431-R433 IonicContact OD2-CZ 2.76Å; D431-R433 IonicContact OD2-NE 3.83Å; D431-R433 PolarHBondContact OD2-NE 3.04Å; D431-R433 IonicContact OD2-NH2 3.71Å; D431-R433 PolarHBondContact OD2-NH2 3.19Å; D431-A434 PolarHBondContact O-N 3.08Å; D431-A434 VanDerWaalsContact O-N 3.08Å; D431-A434 PolarHBondContact OD1-N 3.09Å; D431-K435 PolarHBondContact N-O 3.33Å; D431-K435 VanDerWaalsContact N-O 3.11Å; D431-K435 PolarHBondContact OD1-N 3.2Å; D431-K435 VanDerWaalsContact OD1-N 3.08Å; D431-L437 HydrophobicContact CB-CD2 4.26Å
432	Y	93.6	Very high	95	Very high	60 Å²	60	39.2 Å²	39.2	24%	0.235	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.9	-24.5	176.1	-78.9	-51	0	0	0	115	V356 P377 T378 Y410 D411 G412 A434	V356-Y432 HydrophobicContact CB-CE2 4.27Å; V356-Y432 HydrophobicContact CG2-CE2 4.45Å; V356-Y432 PolarHBondContact O-OH 2.94Å; P377-Y432 HydrophobicContact CG-CD1 3.68Å; P377-Y432 HydrophobicContact CG-CE1 3.73Å; T378-Y432 HydrophobicContact CG2-CD1 3.4Å; T378-Y432 HydrophobicContact CG2-CE1 3.31Å; T378-Y432 HydrophobicContact CG2-CG 4.42Å; Y410-Y432 HydrophobicContact CD1-CE2 4.35Å; Y410-Y432 AromaticContact CD1-CZ 3.88Å; Y410-Y432 WeakPolarHBondContact CD1-OH 3.38Å; Y410-Y432 HydrophobicContact CE1-CE1 4.37Å; Y410-Y432 AromaticContact CE1-CZ 3.79Å; Y410-Y432 WeakPolarHBondContact CE1-OH 3.27Å; Y410-Y432 WeakPolarHBondContact O-CE2 3.33Å; D411-Y432 VanDerWaalsContact C-CD2 3.41Å; D411-Y432 WeakPolarHBondContact O-CD2 3.37Å; G412-Y432 VanDerWaalsContact CA-CD2 3.45Å; G412-Y432 VanDerWaalsContact CA-CZ 3.5Å; Y432-A434 VanDerWaalsContact C-N 3.25Å; Y432-A434 PolarHBondContact O-N 3.35Å
433	R	92.6	Very high	94.9	Very high	188 Å²	188	39.4 Å²	39.4	71%	0.709	19%	0.193	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.1	9.2	-178.2	-58.6	171.4	-65.8	177.3	0.8	111.8	D431 K435	D431-R433 PolarHBondContact O-N 3.3Å; D431-R433 VanDerWaalsContact O-N 3.15Å; D431-R433 WeakPolarHBondContact OD1-CA 3.38Å; D431-R433 WeakPolarHBondContact OD1-CB 3.46Å; D431-R433 PolarHBondContact OD1-N 2.96Å; D431-R433 IonicContact OD1-NE 3.14Å; D431-R433 IonicContact OD2-CZ 2.76Å; D431-R433 IonicContact OD2-NE 3.83Å; D431-R433 PolarHBondContact OD2-NE 3.04Å; D431-R433 IonicContact OD2-NH2 3.71Å; D431-R433 PolarHBondContact OD2-NH2 3.19Å; R433-K435 HydrophobicContact CB-CG 4.01Å; R433-K435 PolarHBondContact O-N 2.99Å
434	A	91.4	Very high	94.8	Very high	39 Å²	39	36.4 Å²	36.4	32%	0.322	18%	0.177	S	C	.	.	S	Bend	trans	54.5	30.9	-171.1	0	0	0	0	0	112.4	V273 D431 Y432	V273-A434 WeakPolarHBondContact CG1-O 3.41Å; V273-A434 HydrophobicContact CG2-CB 4.1Å; D431-A434 PolarHBondContact O-N 3.08Å; D431-A434 VanDerWaalsContact O-N 3.08Å; D431-A434 PolarHBondContact OD1-N 3.09Å; Y432-A434 VanDerWaalsContact C-N 3.25Å; Y432-A434 PolarHBondContact O-N 3.35Å
435	K	93.5	Very high	94.8	Very high	104 Å²	104	34.3 Å²	34.3	45%	0.452	17%	0.169	S	C	.	.			trans	-94.8	140.4	174.5	-65.7	-61	-175.2	178.1	0	110.3	F430 D431 R433 L437	F430-K435 CarbonylContact C-O 3.52Å; F430-K435 WeakPolarHBondContact CA-O 3.45Å; F430-K435 WeakPolarHBondContact CB-O 3.28Å; D431-K435 PolarHBondContact N-O 3.33Å; D431-K435 VanDerWaalsContact N-O 3.11Å; D431-K435 PolarHBondContact OD1-N 3.2Å; D431-K435 VanDerWaalsContact OD1-N 3.08Å; R433-K435 HydrophobicContact CB-CG 4.01Å; R433-K435 PolarHBondContact O-N 2.99Å; K435-L437 PolarHBondContact O-N 2.88Å
436	P	94.5	Very high	94.7	Very high	11 Å²	11	39.9 Å²	39.9	7%	0.071	19%	0.193	C	C	.	.	B	Isolated β-bridge	trans	-54.7	134.4	177	-26.8	35.3	0	0	0	112.5	V273 K275 E429 E438	V273-P436 HydrophobicContact CG1-CG 4.37Å; K275-P436 HydrophobicContact CB-CG 4.42Å; K275-P436 HydrophobicContact CD-CG 3.88Å; E429-P436 CarbonylContact O-C 3.47Å; E429-P436 VanDerWaalsContact O-CA 3.29Å; E429-P436 WeakPolarHBondContact O-CA 3.36Å; P436-E438 HydrophobicContact CB-CG 4.32Å
437	L	94.7	Very high	94.7	Very high	28 Å²	28	42.7 Å²	42.7	15%	0.147	21%	0.207	C	C	.	.			trans	-133.7	52.2	178.1	-161.2	66.2	0	0	0	110.5	Y413 E429 D431 K435 R479	Y413-L437 HydrophobicContact CD2-CD2 4.08Å; E429-L437 WeakPolarHBondContact CB-O 3.38Å; E429-L437 PolarHBondContact O-N 2.78Å; D431-L437 HydrophobicContact CB-CD2 4.26Å; K435-L437 PolarHBondContact O-N 2.88Å; L437-R479 VanDerWaalsContact CG-CZ 3.48Å; L437-R479 PolarHBondContact O-NH1 3.22Å; L437-R479 VanDerWaalsContact O-NH1 3.14Å
438	E	95.2	Very high	94.7	Very high	15 Å²	15	47 Å²	47	7%	0.07	22%	0.222	C	C	.	.			trans	-64.9	133.6	-169.4	-65.2	-179.1	145.6	0	0	113	K275 Y276 P436 Q444 R479 H483	K275-E438 IonicContact NZ-OE1 3.72Å; K275-E438 PolarHBondContact NZ-OE1 2.81Å; K275-E438 IonicContact NZ-OE2 3.66Å; K275-E438 PolarHBondContact NZ-OE2 3.44Å; K275-E438 VanDerWaalsContact NZ-OE2 3.1Å; Y276-E438 VanDerWaalsContact OH-CG 3.25Å; Y276-E438 WeakPolarHBondContact OH-CG 3.06Å; Y276-E438 PolarHBondContact OH-OE1 2.76Å; P436-E438 HydrophobicContact CB-CG 4.32Å; E438-Q444 HydrophobicContact CB-CG 4.01Å; E438-Q444 HydrophobicContact CG-CB 4.27Å; E438-Q444 HydrophobicContact CG-CG 3.98Å; E438-Q444 WeakPolarHBondContact OE1-CB 3.42Å; E438-Q444 PolarHBondContact OE1-N 2.92Å; E438-R479 WeakPolarHBondContact O-CD 3.29Å; E438-R479 WeakPolarHBondContact O-CG 3.45Å; E438-H483 PolarHBondContact O-NE2 3.04Å
439	T	94	Very high	94.8	Very high	13 Å²	13	53.3 Å²	53.3	8%	0.08	25%	0.247	C	C	.	.	S	Bend	trans	-75.6	-39.6	-179.2	-69.7	0	0	0	0	112.4	E429 P475 I478 R479	E429-T439 WeakPolarHBondContact OE1-CB 3.27Å; E429-T439 PolarHBondContact OE1-N 3.23Å; E429-T439 PolarHBondContact OE1-OG1 3.45Å; E429-T439 WeakPolarHBondContact OE2-CB 3.47Å; E429-T439 PolarHBondContact OE2-OG1 3.02Å; T439-P475 HydrophobicContact CG2-CB 3.91Å; T439-P475 VanDerWaalsContact OG1-CB 3.32Å; T439-P475 WeakPolarHBondContact OG1-CB 3.36Å; T439-P475 WeakPolarHBondContact OG1-CG 3.01Å; T439-I478 HydrophobicContact CG2-CB 4.44Å; T439-I478 HydrophobicContact CG2-CG2 3.78Å; T439-R479 HydrophobicContact CG2-CB 4.32Å
440	L	93.2	Very high	94.8	Very high	31 Å²	31	56.7 Å²	56.7	16%	0.162	27%	0.265	C	S	.	.	S	Bend	trans	-91.3	149.1	-178.5	-55.7	-174.4	0	0	0	111.6	I442 F451 M454 L482	L440-I442 HydrophobicContact CB-CG1 3.84Å; L440-I442 HydrophobicContact CD1-CD1 4.18Å; L440-I442 HydrophobicContact CD1-CG1 4.38Å; L440-I442 PolarHBondContact O-N 3.32Å; L440-F451 HydrophobicContact CD1-CE1 3.96Å; L440-M454 HydrophobicContact CD1-SD 4.1Å; L440-L482 HydrophobicContact CD2-CD1 3.61Å
441	P	90.9	Very high	94.9	Very high	81 Å²	81	56.4 Å²	56.4	53%	0.526	26%	0.263	S	S	.	.	S	Bend	trans	-82.6	40.9	178	36.1	-35.3	0	0	0	111.3	L482	P441-L482 HydrophobicContact CG-CB 4.47Å
442	I	92.3	Very high	95	Very high	64 Å²	64	56.5 Å²	56.5	33%	0.328	26%	0.263	S	S	.	.	S	Bend	trans	-136.7	150.6	176.4	61.4	174	0	0	0	108.3	L440 Q444 F451	L440-I442 HydrophobicContact CB-CG1 3.84Å; L440-I442 HydrophobicContact CD1-CD1 4.18Å; L440-I442 HydrophobicContact CD1-CG1 4.38Å; L440-I442 PolarHBondContact O-N 3.32Å; I442-Q444 VanDerWaalsContact O-CG 3.3Å; I442-Q444 WeakPolarHBondContact O-CG 3.41Å; I442-Q444 PolarHBondContact O-N 2.84Å; I442-F451 HydrophobicContact CD1-CE1 4.22Å; I442-F451 HydrophobicContact CD1-CZ 3.81Å; I442-F451 HydrophobicContact CG1-CZ 4.18Å
443	D	94	Very high	95.2	Very high	49 Å²	49	57.3 Å²	57.3	26%	0.262	27%	0.268	S	S	.	.			trans	-61.3	109.3	175.3	-177.2	7	0	0	0	110.8	K275 G445 K446	K275-D443 WeakPolarHBondContact CE-OD1 3.38Å; K275-D443 IonicContact NZ-OD1 3Å; K275-D443 PolarHBondContact NZ-OD1 3.26Å; D443-G445 VanDerWaalsContact C-N 3.33Å; D443-G445 PolarHBondContact OD1-N 3.24Å; D443-K446 HydrophobicContact CB-CD 4.37Å; D443-K446 VanDerWaalsContact OD2-CE 3.25Å; D443-K446 WeakPolarHBondContact OD2-CE 3.38Å; D443-K446 WeakPolarHBondContact OD2-CG 3.26Å
444	Q	97	Very high	95.4	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.1	-5.8	-177.1	-48.4	-172.5	155.8	0	0	113.5	I426 I427 E429 E438 I442 K446 F451	I426-Q444 VanDerWaalsContact CB-O 3.3Å; I426-Q444 WeakPolarHBondContact CB-O 3.33Å; I427-Q444 HydrophobicContact CB-CB 4.29Å; I427-Q444 PolarHBondContact N-O 3.42Å; I427-Q444 WeakPolarHBondContact O-CB 3.32Å; I427-Q444 PolarHBondContact O-NE2 2.84Å; E429-Q444 PolarHBondContact OE1-NE2 3.39Å; E429-Q444 PolarHBondContact OE1-OE1 3.29Å; E438-Q444 HydrophobicContact CB-CG 4.01Å; E438-Q444 HydrophobicContact CG-CB 4.27Å; E438-Q444 HydrophobicContact CG-CG 3.98Å; E438-Q444 WeakPolarHBondContact OE1-CB 3.42Å; E438-Q444 PolarHBondContact OE1-N 2.92Å; I442-Q444 VanDerWaalsContact O-CG 3.3Å; I442-Q444 WeakPolarHBondContact O-CG 3.41Å; I442-Q444 PolarHBondContact O-N 2.84Å; Q444-K446 VanDerWaalsContact C-N 3.31Å; Q444-F451 HydrophobicContact CB-CE1 4.3Å; Q444-F451 HydrophobicContact CB-CE2 4.26Å; Q444-F451 HydrophobicContact CB-CZ 3.79Å; Q444-F451 HydrophobicContact CG-CE1 4.19Å; Q444-F451 HydrophobicContact CG-CZ 3.9Å
445	G	96.3	Very high	95.7	Very high	1 Å²	1	48.8 Å²	48.8	1%	0.01	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77	-16.2	170.7	0	0	0	0	0	113.4	N279 I426 D443	N279-G445 WeakPolarHBondContact CB-O 3.39Å; N279-G445 VanDerWaalsContact CG-O 3.3Å; I426-G445 VanDerWaalsContact CG2-O 3.3Å; I426-G445 WeakPolarHBondContact CG2-O 3.47Å; D443-G445 VanDerWaalsContact C-N 3.33Å; D443-G445 PolarHBondContact OD1-N 3.24Å
446	K	96.8	Very high	95.8	Very high	117 Å²	117	43.9 Å²	43.9	51%	0.509	21%	0.208	S	C	.	.	S	Bend	trans	-84.5	137.8	177	-72.7	-179.8	-178.4	-177.4	0	111.7	D443 Q444 R448 F451	D443-K446 HydrophobicContact CB-CD 4.37Å; D443-K446 VanDerWaalsContact OD2-CE 3.25Å; D443-K446 WeakPolarHBondContact OD2-CE 3.38Å; D443-K446 WeakPolarHBondContact OD2-CG 3.26Å; Q444-K446 VanDerWaalsContact C-N 3.31Å; K446-R448 PolarHBondContact O-N 3.2Å; K446-F451 WeakPolarHBondContact O-CE2 3.47Å
447	E	97.3	Very high	96	Very high	61 Å²	61	48.4 Å²	48.4	29%	0.285	23%	0.225	S	C	.	.			trans	-61.2	122	176.4	-63	-157.7	78.7	0	0	111.4	I283 R287 T420 R424 G425 I426	I283-E447 HydrophobicContact CD1-CG 3.43Å; I283-E447 VanDerWaalsContact CD1-CG 3.43Å; I283-E447 HydrophobicContact CG1-CG 3.99Å; R287-E447 IonicContact CZ-OE1 2.77Å; R287-E447 IonicContact CZ-OE2 3.65Å; R287-E447 IonicContact NH2-OE1 3.33Å; R287-E447 PolarHBondContact NH2-OE1 3.48Å; R287-E447 IonicContact NH2-OE2 2.72Å; R287-E447 PolarHBondContact NH2-OE2 3.05Å; T420-E447 WeakPolarHBondContact CB-OE1 3.46Å; T420-E447 PolarHBondContact OG1-OE1 3.45Å; R424-E447 HydrophobicContact CB-CB 4.5Å; R424-E447 WeakPolarHBondContact CD-OE1 3.41Å; R424-E447 IonicContact NE-OE1 2.72Å; G425-E447 WeakPolarHBondContact O-CA 3.39Å; I426-E447 HydrophobicContact CG2-CG 4.25Å
448	R	98	Very high	96.1	Very high	98 Å²	98	50.9 Å²	50.9	37%	0.37	24%	0.237	S	C	.	.	B	Isolated β-bridge	trans	-140.2	151	176.7	-58.9	179.7	-174.4	-87.4	2	112.1	R424 G425 K446 I450 F451	R424-R448 WeakPolarHBondContact CA-O 3.47Å; G425-R448 PolarHBondContact N-O 3.48Å; G425-R448 VanDerWaalsContact N-O 3.14Å; G425-R448 PolarHBondContact O-N 3.27Å; K446-R448 PolarHBondContact O-N 3.2Å; R448-I450 VanDerWaalsContact C-N 3.32Å; R448-I450 HydrophobicContact CB-CG2 3.89Å; R448-I450 PolarHBondContact O-N 3.47Å; R448-F451 HydrophobicContact CB-CD2 3.67Å; R448-F451 HydrophobicContact CB-CE2 3.89Å; R448-F451 HydrophobicContact CB-CG 4.36Å; R448-F451 HydrophobicContact CG-CD2 4.1Å; R448-F451 HydrophobicContact CG-CE2 3.83Å; R448-F451 PolarHBondContact O-N 3.25Å
449	Y	97.8	Very high	96.2	Very high	133 Å²	133	52.2 Å²	52.2	52%	0.522	25%	0.245	S	C	.	.	H	α-helix	trans	-60.9	-40.2	172.5	176.3	-97.2	0	0	0	112.4	N423 F451 Y452 F453	N423-Y449 HydrophobicContact CB-CD2 4.08Å; N423-Y449 HydrophobicContact CB-CE2 4.46Å; N423-Y449 VanDerWaalsContact O-CA 3.26Å; N423-Y449 WeakPolarHBondContact O-CA 3.43Å; N423-Y449 WeakPolarHBondContact O-CD2 3.33Å; Y449-F451 PolarHBondContact O-N 3.13Å; Y449-F451 VanDerWaalsContact O-N 3.15Å; Y449-Y452 HydrophobicContact CD2-CD1 4.44Å; Y449-Y452 HydrophobicContact CE2-CD1 4.13Å; Y449-Y452 WeakPolarHBondContact O-CB 3.47Å; Y449-Y452 PolarHBondContact O-N 2.76Å; Y449-Y452 VanDerWaalsContact O-N 3.07Å; Y449-F453 HydrophobicContact CD1-CB 4.4Å; Y449-F453 HydrophobicContact CE1-CB 3.99Å; Y449-F453 HydrophobicContact CE1-CD2 4.23Å; Y449-F453 HydrophobicContact CE1-CG 4.4Å; Y449-F453 PolarHBondContact O-N 3.48Å
450	I	96.9	Very high	96.4	Very high	77 Å²	77	52.2 Å²	52.2	40%	0.395	25%	0.245	S	C	.	.	H	α-helix	trans	-56.9	-34.4	-178.9	-166.5	169.3	0	0	0	112.5	R448 F453 M454	R448-I450 VanDerWaalsContact C-N 3.32Å; R448-I450 HydrophobicContact CB-CG2 3.89Å; R448-I450 PolarHBondContact O-N 3.47Å; I450-F453 PolarHBondContact O-N 3.25Å; I450-M454 HydrophobicContact CG1-CG 4.47Å; I450-M454 HydrophobicContact CG1-SD 4.47Å; I450-M454 WeakPolarHBondContact O-CB 3.46Å; I450-M454 VanDerWaalsContact O-CG 3.26Å; I450-M454 WeakPolarHBondContact O-CG 3.29Å; I450-M454 PolarHBondContact O-N 2.93Å
451	F	97.4	Very high	96.5	Very high	1 Å²	1	53.6 Å²	53.6	0%	0.004	26%	0.256	C	S	.	.	H	α-helix	trans	-73	-36.6	179.1	-60.9	-36.8	0	0	0	112.8	G425 I427 L440 I442 Q444 K446 R448 Y449 M454 K455	G425-F451 WeakPolarHBondContact O-CB 3.31Å; G425-F451 VanDerWaalsContact O-CD2 3.29Å; G425-F451 WeakPolarHBondContact O-CD2 3.45Å; I427-F451 HydrophobicContact CB-CD1 4.21Å; I427-F451 HydrophobicContact CB-CE1 4.49Å; I427-F451 HydrophobicContact CD1-CB 4.29Å; I427-F451 HydrophobicContact CD1-CD1 3.42Å; I427-F451 VanDerWaalsContact CD1-CD1 3.42Å; I427-F451 HydrophobicContact CD1-CE1 4.09Å; I427-F451 HydrophobicContact CD1-CG 4.16Å; I427-F451 HydrophobicContact CG1-CB 3.91Å; I427-F451 HydrophobicContact CG1-CD1 3.54Å; I427-F451 HydrophobicContact CG1-CE1 4.25Å; I427-F451 HydrophobicContact CG1-CG 3.84Å; L440-F451 HydrophobicContact CD1-CE1 3.96Å; I442-F451 HydrophobicContact CD1-CE1 4.22Å; I442-F451 HydrophobicContact CD1-CZ 3.81Å; I442-F451 HydrophobicContact CG1-CZ 4.18Å; Q444-F451 HydrophobicContact CB-CE1 4.3Å; Q444-F451 HydrophobicContact CB-CE2 4.26Å; Q444-F451 HydrophobicContact CB-CZ 3.79Å; Q444-F451 HydrophobicContact CG-CE1 4.19Å; Q444-F451 HydrophobicContact CG-CZ 3.9Å; K446-F451 WeakPolarHBondContact O-CE2 3.47Å; R448-F451 HydrophobicContact CB-CD2 3.67Å; R448-F451 HydrophobicContact CB-CE2 3.89Å; R448-F451 HydrophobicContact CB-CG 4.36Å; R448-F451 HydrophobicContact CG-CD2 4.1Å; R448-F451 HydrophobicContact CG-CE2 3.83Å; R448-F451 PolarHBondContact O-N 3.25Å; Y449-F451 PolarHBondContact O-N 3.13Å; Y449-F451 VanDerWaalsContact O-N 3.15Å; F451-M454 HydrophobicContact CD1-SD 4.32Å; F451-K455 WeakPolarHBondContact O-CB 3.47Å; F451-K455 PolarHBondContact O-N 3.49Å; F451-K455 VanDerWaalsContact O-N 3.1Å
452	Y	98	Very high	96.8	Very high	15 Å²	15	52.1 Å²	52.1	6%	0.059	24%	0.243	C	C	.	.	H	α-helix	trans	-62.5	-46.9	167.8	168.6	-91	0	0	0	111.2	I126 V419 G421 Y422 Y449 M454 K455 T456 Y457	I126-Y452 HydrophobicContact CD1-CE2 4.17Å; V419-Y452 HydrophobicContact CG1-CD2 3.91Å; G421-Y452 VanDerWaalsContact O-CD2 3.24Å; G421-Y452 WeakPolarHBondContact O-CD2 3.42Å; Y422-Y452 VanDerWaalsContact C-CE2 3.47Å; Y422-Y452 WeakPolarHBondContact O-CE1 3.35Å; Y422-Y452 WeakPolarHBondContact O-CE2 3.3Å; Y422-Y452 PolarHBondContact O-OH 3.09Å; Y449-Y452 HydrophobicContact CD2-CD1 4.44Å; Y449-Y452 HydrophobicContact CE2-CD1 4.13Å; Y449-Y452 WeakPolarHBondContact O-CB 3.47Å; Y449-Y452 PolarHBondContact O-N 2.76Å; Y449-Y452 VanDerWaalsContact O-N 3.07Å; Y452-M454 PolarHBondContact O-N 2.88Å; Y452-K455 PolarHBondContact O-N 2.94Å; Y452-T456 VanDerWaalsContact O-CB 3.28Å; Y452-T456 WeakPolarHBondContact O-CB 3.37Å; Y452-T456 PolarHBondContact O-N 3.25Å; Y452-T456 PolarHBondContact O-OG1 2.82Å; Y452-Y457 HydrophobicContact CE1-CE2 4.22Å
453	F	98	Very high	97.1	Very high	78 Å²	78	49.7 Å²	49.7	34%	0.342	23%	0.23	S	C	.	.	H	α-helix	trans	-60.2	-47.3	179.7	179.8	-92	0	0	0	111.5	Y449 I450 K455 T456 Y457 I458	Y449-F453 HydrophobicContact CD1-CB 4.4Å; Y449-F453 HydrophobicContact CE1-CB 3.99Å; Y449-F453 HydrophobicContact CE1-CD2 4.23Å; Y449-F453 HydrophobicContact CE1-CG 4.4Å; Y449-F453 PolarHBondContact O-N 3.48Å; I450-F453 PolarHBondContact O-N 3.25Å; F453-K455 PolarHBondContact O-N 2.72Å; F453-T456 PolarHBondContact O-N 2.95Å; F453-Y457 AromaticContact CD2-CD2 3.53Å; F453-Y457 HydrophobicContact CD2-CD2 3.53Å; F453-Y457 HydrophobicContact CD2-CE2 4.16Å; F453-Y457 HydrophobicContact CD2-CG 4.37Å; F453-Y457 AromaticContact CE2-CD2 3.82Å; F453-Y457 HydrophobicContact CE2-CD2 3.82Å; F453-Y457 HydrophobicContact CE2-CG 4.26Å; F453-Y457 HydrophobicContact CG-CD2 4.16Å; F453-Y457 PolarHBondContact O-N 2.91Å; F453-I458 HydrophobicContact CD1-CG1 4.15Å; F453-I458 HydrophobicContact CE1-CD1 3.9Å; F453-I458 HydrophobicContact CE1-CG1 3.86Å
454	M	96.6	Very high	97.3	Very high	44 Å²	44	48.2 Å²	48.2	22%	0.217	22%	0.221	C	C	.	.	I	π-helix	trans	-56.8	-50.7	175.8	-76.8	176.7	70.6	0	0	111.6	I427 L440 I450 F451 Y452 T456 I458 L459	I427-M454 HydrophobicContact CD1-CB 4.33Å; I427-M454 HydrophobicContact CD1-CE 3.67Å; I427-M454 HydrophobicContact CD1-SD 3.68Å; L440-M454 HydrophobicContact CD1-SD 4.1Å; I450-M454 HydrophobicContact CG1-CG 4.47Å; I450-M454 HydrophobicContact CG1-SD 4.47Å; I450-M454 WeakPolarHBondContact O-CB 3.46Å; I450-M454 VanDerWaalsContact O-CG 3.26Å; I450-M454 WeakPolarHBondContact O-CG 3.29Å; I450-M454 PolarHBondContact O-N 2.93Å; F451-M454 HydrophobicContact CD1-SD 4.32Å; Y452-M454 PolarHBondContact O-N 2.88Å; M454-T456 VanDerWaalsContact C-N 3.31Å; M454-T456 PolarHBondContact O-N 3.27Å; M454-I458 WeakPolarHBondContact O-CB 3.26Å; M454-I458 PolarHBondContact O-N 2.92Å; M454-L459 WeakPolarHBondContact O-CG 3.35Å; M454-L459 PolarHBondContact O-N 3Å
455	K	96.8	Very high	97.2	Very high	4 Å²	4	53 Å²	53	2%	0.017	25%	0.247	C	C	.	.	I	π-helix	trans	-61.3	-39.5	179.7	175.9	51.8	-176.5	150.7	0	112.8	P117 P417 V419 F451 Y452 F453 L459	P117-K455 PolarHBondContact O-NZ 3.5Å; P417-K455 HydrophobicContact CB-CB 4.04Å; P417-K455 HydrophobicContact CB-CD 3.98Å; P417-K455 HydrophobicContact CB-CG 4.23Å; P417-K455 HydrophobicContact CG-CD 3.7Å; P417-K455 HydrophobicContact CG-CG 4.48Å; V419-K455 HydrophobicContact CG1-CB 4.03Å; V419-K455 HydrophobicContact CG1-CG 3.78Å; F451-K455 WeakPolarHBondContact O-CB 3.47Å; F451-K455 PolarHBondContact O-N 3.49Å; F451-K455 VanDerWaalsContact O-N 3.1Å; Y452-K455 PolarHBondContact O-N 2.94Å; F453-K455 PolarHBondContact O-N 2.72Å; K455-L459 HydrophobicContact CD-CD1 4.1Å
456	T	97.4	Very high	97.3	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	25%	0.251	C	S	.	.	I	π-helix	trans	-86.1	-34.5	-169.7	-54.4	0	0	0	0	112.7	L121 I126 Y452 F453 M454 P460	L121-T456 HydrophobicContact CD1-CG2 4.24Å; I126-T456 HydrophobicContact CG2-CG2 3.81Å; Y452-T456 VanDerWaalsContact O-CB 3.28Å; Y452-T456 WeakPolarHBondContact O-CB 3.37Å; Y452-T456 PolarHBondContact O-N 3.25Å; Y452-T456 PolarHBondContact O-OG1 2.82Å; F453-T456 PolarHBondContact O-N 2.95Å; M454-T456 VanDerWaalsContact C-N 3.31Å; M454-T456 PolarHBondContact O-N 3.27Å; T456-P460 WeakPolarHBondContact O-CG 3.25Å
457	Y	97.3	Very high	97.3	Very high	106 Å²	106	48.1 Å²	48.1	42%	0.416	23%	0.228	S	C	.	.	I	π-helix	trans	-122.4	-28.8	-169.4	-58.1	-71.7	0	0	0	114.4	Y452 F453 P461	Y452-Y457 HydrophobicContact CE1-CE2 4.22Å; F453-Y457 AromaticContact CD2-CD2 3.53Å; F453-Y457 HydrophobicContact CD2-CD2 3.53Å; F453-Y457 HydrophobicContact CD2-CE2 4.16Å; F453-Y457 HydrophobicContact CD2-CG 4.37Å; F453-Y457 AromaticContact CE2-CD2 3.82Å; F453-Y457 HydrophobicContact CE2-CD2 3.82Å; F453-Y457 HydrophobicContact CE2-CG 4.26Å; F453-Y457 HydrophobicContact CG-CD2 4.16Å; F453-Y457 PolarHBondContact O-N 2.91Å; Y457-P461 WeakPolarHBondContact O-CD 3.36Å; Y457-P461 VanDerWaalsContact O-CG 3.31Å; Y457-P461 WeakPolarHBondContact O-CG 3.29Å
458	I	97.2	Very high	97.3	Very high	80 Å²	80	45.2 Å²	45.2	41%	0.41	21%	0.214	S	C	.	.	I	π-helix	trans	-93.8	-45.1	-177.9	-57.5	-60.1	0	0	0	112	F453 M454 P461 L462	F453-I458 HydrophobicContact CD1-CG1 4.15Å; F453-I458 HydrophobicContact CE1-CD1 3.9Å; F453-I458 HydrophobicContact CE1-CG1 3.86Å; M454-I458 WeakPolarHBondContact O-CB 3.26Å; M454-I458 PolarHBondContact O-N 2.92Å; I458-P461 VanDerWaalsContact O-CD 3.28Å; I458-P461 WeakPolarHBondContact O-CD 3.48Å; I458-P461 WeakPolarHBondContact O-CG 3.25Å; I458-L462 VanDerWaalsContact O-CB 3.29Å; I458-L462 WeakPolarHBondContact O-CB 3.47Å; I458-L462 PolarHBondContact O-N 2.96Å; I458-L462 VanDerWaalsContact O-N 3.16Å
459	L	96.9	Very high	97.2	Very high	44 Å²	44	44.1 Å²	44.1	23%	0.23	21%	0.212	C	C	.	.	H	α-helix	trans	-67	-34.4	-176.9	-66.4	-174.5	0	0	0	114.7	P417 M454 K455 L462 Y463	P417-L459 HydrophobicContact CB-CD1 4.15Å; P417-L459 HydrophobicContact CG-CD1 3.65Å; M454-L459 WeakPolarHBondContact O-CG 3.35Å; M454-L459 PolarHBondContact O-N 3Å; K455-L459 HydrophobicContact CD-CD1 4.1Å; L459-L462 HydrophobicContact CD2-CD2 4.01Å; L459-L462 PolarHBondContact O-N 3.24Å; L459-Y463 VanDerWaalsContact O-CB 3.31Å; L459-Y463 WeakPolarHBondContact O-CB 3.22Å; L459-Y463 PolarHBondContact O-N 2.98Å
460	P	97.6	Very high	97.1	Very high	12 Å²	12	38 Å²	38	8%	0.078	19%	0.189	C	C	.	.	H	α-helix	trans	-61.3	-52.8	176.1	-22.7	33.1	0	0	0	114.5	Y115 L118 T456 L462 Y463 W464	Y115-P460 HydrophobicContact CD1-CB 4.49Å; Y115-P460 HydrophobicContact CE1-CB 3.99Å; Y115-P460 HydrophobicContact CE1-CG 4.12Å; L118-P460 HydrophobicContact CD1-CB 4.35Å; L118-P460 HydrophobicContact CD1-CG 3.9Å; T456-P460 WeakPolarHBondContact O-CG 3.25Å; P460-L462 VanDerWaalsContact C-N 3.34Å; P460-L462 PolarHBondContact O-N 2.81Å; P460-Y463 WeakPolarHBondContact O-CB 3.36Å; P460-Y463 PolarHBondContact O-N 2.89Å; P460-Y463 VanDerWaalsContact O-N 3.17Å; P460-W464 VanDerWaalsContact O-CD1 3.23Å; P460-W464 PolarHBondContact O-N 2.89Å
461	P	97.1	Very high	97	Very high	60 Å²	60	39.9 Å²	39.9	39%	0.39	20%	0.199	S	C	.	.	H	α-helix	trans	-65.5	-37.1	175.3	24.7	-32.6	0	0	0	111.8	Y457 I458 Y463 W464 D465	Y457-P461 WeakPolarHBondContact O-CD 3.36Å; Y457-P461 VanDerWaalsContact O-CG 3.31Å; Y457-P461 WeakPolarHBondContact O-CG 3.29Å; I458-P461 VanDerWaalsContact O-CD 3.28Å; I458-P461 WeakPolarHBondContact O-CD 3.48Å; I458-P461 WeakPolarHBondContact O-CG 3.25Å; P461-Y463 PolarHBondContact O-N 2.88Å; P461-W464 PolarHBondContact O-N 2.9Å; P461-D465 WeakPolarHBondContact O-CB 3.33Å; P461-D465 PolarHBondContact O-N 3.26Å
462	L	97.3	Very high	97	Very high	50 Å²	50	42.6 Å²	42.6	26%	0.262	21%	0.209	S	C	.	.	I	π-helix	trans	-59.6	-33.1	174	-171.6	65.4	0	0	0	112.3	I458 L459 P460 G466 L467 W472	I458-L462 VanDerWaalsContact O-CB 3.29Å; I458-L462 WeakPolarHBondContact O-CB 3.47Å; I458-L462 PolarHBondContact O-N 2.96Å; I458-L462 VanDerWaalsContact O-N 3.16Å; L459-L462 HydrophobicContact CD2-CD2 4.01Å; L459-L462 PolarHBondContact O-N 3.24Å; P460-L462 VanDerWaalsContact C-N 3.34Å; P460-L462 PolarHBondContact O-N 2.81Å; L462-G466 CarbonylContact O-C 3.6Å; L462-G466 WeakPolarHBondContact O-CA 3.43Å; L462-G466 PolarHBondContact O-N 3.32Å; L462-G466 VanDerWaalsContact O-N 3.14Å; L462-L467 PolarHBondContact O-N 2.97Å; L462-W472 HydrophobicContact CD1-CB 4.29Å; L462-W472 HydrophobicContact CD1-CD2 3.78Å; L462-W472 HydrophobicContact CD1-CE3 3.89Å; L462-W472 HydrophobicContact CD1-CG 3.96Å; L462-W472 HydrophobicContact CD1-CZ3 4.48Å; L462-W472 HydrophobicContact CD2-CD2 4.19Å; L462-W472 HydrophobicContact CD2-CZ2 4.06Å; L462-W472 HydrophobicContact CG-CD2 4.17Å; L462-W472 HydrophobicContact CG-CG 4.16Å
463	Y	97.8	Very high	96.8	Very high	13 Å²	13	44.4 Å²	44.4	5%	0.051	22%	0.224	C	C	.	.	I	π-helix	trans	-70.7	-55.1	174.7	179.4	-93.1	0	0	0	111.7	A59 H113 Y115 A382 L459 P460 P461 L467 L468	A59-Y463 HydrophobicContact CB-CE2 4.02Å; A59-Y463 WeakPolarHBondContact CB-OH 3.33Å; H113-Y463 PolarHBondContact CE1-OH 3.48Å; H113-Y463 AromaticContact NE2-CE1 3.6Å; H113-Y463 AromaticContact NE2-CZ 3.54Å; H113-Y463 PolarHBondContact NE2-OH 2.93Å; Y115-Y463 HydrophobicContact CD1-CD1 4.28Å; Y115-Y463 AromaticContact CD2-CD1 3.21Å; Y115-Y463 HydrophobicContact CD2-CD1 3.21Å; Y115-Y463 AromaticContact CD2-CD2 3.47Å; Y115-Y463 HydrophobicContact CD2-CD2 3.47Å; Y115-Y463 VanDerWaalsContact CD2-CD2 3.47Å; Y115-Y463 AromaticContact CD2-CE1 3.3Å; Y115-Y463 HydrophobicContact CD2-CE1 3.3Å; Y115-Y463 AromaticContact CD2-CE2 3.56Å; Y115-Y463 HydrophobicContact CD2-CE2 3.56Å; Y115-Y463 AromaticContact CD2-CG 3.28Å; Y115-Y463 HydrophobicContact CD2-CG 3.28Å; Y115-Y463 AromaticContact CD2-CZ 3.48Å; Y115-Y463 VanDerWaalsContact CD2-CZ 3.48Å; Y115-Y463 AromaticContact CE2-CD1 3.8Å; Y115-Y463 HydrophobicContact CE2-CD1 3.8Å; Y115-Y463 AromaticContact CE2-CD2 3.37Å; Y115-Y463 HydrophobicContact CE2-CD2 3.37Å; Y115-Y463 HydrophobicContact CE2-CE1 4.22Å; Y115-Y463 AromaticContact CE2-CE2 3.84Å; Y115-Y463 HydrophobicContact CE2-CE2 3.84Å; Y115-Y463 AromaticContact CE2-CG 3.34Å; Y115-Y463 HydrophobicContact CE2-CG 3.34Å; Y115-Y463 AromaticContact CG-CD1 3.51Å; Y115-Y463 HydrophobicContact CG-CD1 3.51Å; Y115-Y463 AromaticContact CG-CE1 3.67Å; Y115-Y463 HydrophobicContact CG-CE1 3.67Å; Y115-Y463 AromaticContact CG-CG 3.97Å; Y115-Y463 HydrophobicContact CG-CG 3.97Å; A382-Y463 HydrophobicContact CB-CD2 4.27Å; A382-Y463 HydrophobicContact CB-CE2 4.11Å; L459-Y463 VanDerWaalsContact O-CB 3.31Å; L459-Y463 WeakPolarHBondContact O-CB 3.22Å; L459-Y463 PolarHBondContact O-N 2.98Å; P460-Y463 WeakPolarHBondContact O-CB 3.36Å; P460-Y463 PolarHBondContact O-N 2.89Å; P460-Y463 VanDerWaalsContact O-N 3.17Å; P461-Y463 PolarHBondContact O-N 2.88Å; Y463-L467 HydrophobicContact CD2-CD2 3.83Å; Y463-L467 HydrophobicContact CE2-CD2 3.95Å; Y463-L467 WeakPolarHBondContact O-CB 3.34Å; Y463-L467 PolarHBondContact O-N 3.11Å; Y463-L468 HydrophobicContact CD1-CD1 3.87Å; Y463-L468 HydrophobicContact CD1-CG 4.17Å; Y463-L468 HydrophobicContact CE1-CD1 3.35Å; Y463-L468 HydrophobicContact CE1-CD2 4.2Å; Y463-L468 HydrophobicContact CE1-CG 3.8Å; Y463-L468 HydrophobicContact CE2-CD2 4.47Å; Y463-L468 WeakPolarHBondContact O-CG 3.39Å; Y463-L468 PolarHBondContact O-N 3.43Å
464	W	97.3	Very high	96.6	Very high	19 Å²	19	41 Å²	41	7%	0.072	21%	0.211	C	C	.	.	I	π-helix	trans	-67.9	-49.5	-174.8	-71.7	119.3	0	0	0	112.9	H113 Y115 E131 S132 Q134 V139 P460 P461 L468	H113-W464 AromaticContact CD2-CH2 3.65Å; H113-W464 AromaticContact CD2-CZ3 3.5Å; H113-W464 VanDerWaalsContact CD2-CZ3 3.5Å; H113-W464 WeakPolarHBondContact CD2-CZ3 3.21Å; Y115-W464 VanDerWaalsContact CB-CZ2 3.43Å; E131-W464 PolarHBondContact O-NE1 2.86Å; S132-W464 WeakPolarHBondContact O-CZ2 3.4Å; Q134-W464 HydrophobicContact CB-CH2 4.05Å; Q134-W464 HydrophobicContact CB-CZ3 3.84Å; Q134-W464 HydrophobicContact CG-CD2 4.48Å; Q134-W464 HydrophobicContact CG-CE3 4.03Å; Q134-W464 HydrophobicContact CG-CH2 3.81Å; Q134-W464 HydrophobicContact CG-CZ2 4.23Å; Q134-W464 HydrophobicContact CG-CZ3 3.7Å; Q134-W464 VanDerWaalsContact NE2-CD2 3.33Å; Q134-W464 VanDerWaalsContact NE2-CE3 3.31Å; V139-W464 HydrophobicContact CG2-CE3 4.42Å; V139-W464 HydrophobicContact CG2-CZ3 3.92Å; P460-W464 VanDerWaalsContact O-CD1 3.23Å; P460-W464 PolarHBondContact O-N 2.89Å; P461-W464 PolarHBondContact O-N 2.9Å; W464-L468 HydrophobicContact CD2-CD1 4.32Å; W464-L468 HydrophobicContact CE3-CD1 3.4Å; W464-L468 HydrophobicContact CZ3-CD1 3.59Å
465	D	96.4	Very high	96.6	Very high	101 Å²	101	39.3 Å²	39.3	54%	0.54	20%	0.203	S	C	.	.	I	π-helix	trans	-98.1	-19.8	-170.4	-54.4	-48.7	0	0	0	112.2	P461 K469	P461-D465 WeakPolarHBondContact O-CB 3.33Å; P461-D465 PolarHBondContact O-N 3.26Å; D465-K469 WeakPolarHBondContact O-CB 3.48Å
466	G	97.2	Very high	96.4	Very high	9 Å²	9	44.3 Å²	44.3	9%	0.093	23%	0.225	C	C	.	.	I	π-helix	trans	-96.3	-71.5	175.6	0	0	0	0	0	112.7	L462 G470 I471 W472	L462-G466 CarbonylContact O-C 3.6Å; L462-G466 WeakPolarHBondContact O-CA 3.43Å; L462-G466 PolarHBondContact O-N 3.32Å; L462-G466 VanDerWaalsContact O-N 3.14Å; G466-G470 PolarHBondContact O-N 3.28Å; G466-I471 PolarHBondContact O-N 3.18Å; G466-W472 VanDerWaalsContact C-CB 3.47Å; G466-W472 PolarHBondContact O-N 3Å
467	L	97.5	Very high	96	Very high	5 Å²	5	48.9 Å²	48.9	3%	0.026	26%	0.257	C	S	.	.	I	π-helix	trans	-65.7	-55.7	-170.8	174.4	57.4	0	0	0	111.4	A63 A382 L462 Y463 K469 G470	A63-L467 HydrophobicContact CB-CD1 3.95Å; A63-L467 HydrophobicContact CB-CG 4.41Å; A63-L467 WeakPolarHBondContact CB-O 3.48Å; A382-L467 HydrophobicContact CB-CD2 4.39Å; L462-L467 PolarHBondContact O-N 2.97Å; Y463-L467 HydrophobicContact CD2-CD2 3.83Å; Y463-L467 HydrophobicContact CE2-CD2 3.95Å; Y463-L467 WeakPolarHBondContact O-CB 3.34Å; Y463-L467 PolarHBondContact O-N 3.11Å; L467-K469 VanDerWaalsContact C-N 3.3Å; L467-K469 PolarHBondContact O-N 3.47Å; L467-G470 PolarHBondContact O-N 3.31Å
468	L	97	Very high	95.7	Very high	1 Å²	1	47.4 Å²	47.4	1%	0.005	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-33.4	-174.9	-65.6	-179.2	0	0	0	111.8	A59 C62 N66 V139 Y463 W464 G470	A59-L468 HydrophobicContact CB-CD2 4.47Å; C62-L468 HydrophobicContact CB-CD2 3.72Å; N66-L468 WeakPolarHBondContact CB-O 3.24Å; N66-L468 PolarHBondContact ND2-O 3.37Å; V139-L468 HydrophobicContact CG1-CB 3.93Å; V139-L468 HydrophobicContact CG1-CD1 3.79Å; V139-L468 HydrophobicContact CG1-CG 4.34Å; Y463-L468 HydrophobicContact CD1-CD1 3.87Å; Y463-L468 HydrophobicContact CD1-CG 4.17Å; Y463-L468 HydrophobicContact CE1-CD1 3.35Å; Y463-L468 HydrophobicContact CE1-CD2 4.2Å; Y463-L468 HydrophobicContact CE1-CG 3.8Å; Y463-L468 HydrophobicContact CE2-CD2 4.47Å; Y463-L468 WeakPolarHBondContact O-CG 3.39Å; Y463-L468 PolarHBondContact O-N 3.43Å; W464-L468 HydrophobicContact CD2-CD1 4.32Å; W464-L468 HydrophobicContact CE3-CD1 3.4Å; W464-L468 HydrophobicContact CZ3-CD1 3.59Å; L468-G470 PolarHBondContact O-N 2.94Å
469	K	96.1	Very high	95.6	Very high	75 Å²	75	44.2 Å²	44.2	33%	0.326	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.9	3.2	173.4	-60.8	-60.6	178.6	-173.7	0	114	K138 V139 D465 L467 I471	K138-K469 PolarHBondContact O-NZ 2.85Å; V139-K469 PolarHBondContact O-NZ 3.21Å; D465-K469 WeakPolarHBondContact O-CB 3.48Å; L467-K469 VanDerWaalsContact C-N 3.3Å; L467-K469 PolarHBondContact O-N 3.47Å; K469-I471 HydrophobicContact CB-CD1 4.12Å; K469-I471 HydrophobicContact CB-CG1 4.32Å; K469-I471 PolarHBondContact O-N 3.1Å
470	G	95	Very high	95.2	Very high	3 Å²	3	45.1 Å²	45.1	3%	0.031	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	70.2	31.1	175	0	0	0	0	0	113.6	K70 G466 L467 L468	K70-G470 PolarHBondContact NZ-O 3.43Å; G466-G470 PolarHBondContact O-N 3.28Å; L467-G470 PolarHBondContact O-N 3.31Å; L468-G470 PolarHBondContact O-N 2.94Å
471	I	95.6	Very high	94.9	Very high	118 Å²	118	50.3 Å²	50.3	61%	0.605	27%	0.27	S	S	*	.			trans	-106.2	-42.2	-179.3	-59.3	171.8	0	0	0	110	G466 K469	G466-I471 PolarHBondContact O-N 3.18Å; K469-I471 HydrophobicContact CB-CD1 4.12Å; K469-I471 HydrophobicContact CB-CG1 4.32Å; K469-I471 PolarHBondContact O-N 3.1Å
472	W	96.4	Very high	94.6	Very high	57 Å²	57	50.9 Å²	50.9	22%	0.216	27%	0.269	C	S	.	.			trans	-84.7	120.4	-176.6	176.4	-111.4	0	0	0	112.6	R67 L462 G466 G474 P475 I478	R67-W472 PolarHBondContact NH2-O 3.12Å; L462-W472 HydrophobicContact CD1-CB 4.29Å; L462-W472 HydrophobicContact CD1-CD2 3.78Å; L462-W472 HydrophobicContact CD1-CE3 3.89Å; L462-W472 HydrophobicContact CD1-CG 3.96Å; L462-W472 HydrophobicContact CD1-CZ3 4.48Å; L462-W472 HydrophobicContact CD2-CD2 4.19Å; L462-W472 HydrophobicContact CD2-CZ2 4.06Å; L462-W472 HydrophobicContact CG-CD2 4.17Å; L462-W472 HydrophobicContact CG-CG 4.16Å; G466-W472 VanDerWaalsContact C-CB 3.47Å; G466-W472 PolarHBondContact O-N 3Å; W472-G474 WeakPolarHBondContact CH2-O 3.41Å; W472-P475 HydrophobicContact CH2-CB 4.01Å; W472-P475 HydrophobicContact CZ2-CB 3.92Å; W472-I478 HydrophobicContact CH2-CD1 3.69Å; W472-I478 HydrophobicContact CZ3-CD1 3.74Å
473	S	95.1	Very high	94.1	Very high	53 Å²	53	50 Å²	50	37%	0.371	26%	0.264	S	S	.	.			trans	-112.3	24.5	-172.2	-60.3	0	0	0	0	113.4	R67 S386	R67-S473 PolarHBondContact NH1-OG 3.14Å; R67-S473 PolarHBondContact NH2-OG 2.82Å; S386-S473 CarbonylContact O-C 3.36Å
474	G	94.1	Very high	93.3	Very high	7 Å²	7	55.8 Å²	55.8	7%	0.072	30%	0.295	C	S	.	.			trans	83.4	169.8	-173.8	0	0	0	0	0	113.2	S386 W472 K476	S386-G474 VanDerWaalsContact OG-CA 3.29Å; S386-G474 WeakPolarHBondContact OG-CA 3.4Å; S386-G474 PolarHBondContact OG-N 3.05Å; W472-G474 WeakPolarHBondContact CH2-O 3.41Å; G474-K476 VanDerWaalsContact C-N 3.33Å; G474-K476 PolarHBondContact O-N 3.03Å
475	P	94.6	Very high	91.7	Very high	9 Å²	9	62.1 Å²	62.1	6%	0.058	33%	0.325	C	S	.	.	S	Bend	trans	-89.1	7.8	-167.3	32.4	-31.2	0	0	0	114.6	Y413 T439 W472 S477 I478 R479	Y413-P475 HydrophobicContact CE1-CG 3.67Å; Y413-P475 HydrophobicContact CE2-CG 3.93Å; Y413-P475 WeakPolarHBondContact OH-CG 3.27Å; T439-P475 HydrophobicContact CG2-CB 3.91Å; T439-P475 VanDerWaalsContact OG1-CB 3.32Å; T439-P475 WeakPolarHBondContact OG1-CB 3.36Å; T439-P475 WeakPolarHBondContact OG1-CG 3.01Å; W472-P475 HydrophobicContact CH2-CB 4.01Å; W472-P475 HydrophobicContact CZ2-CB 3.92Å; P475-S477 VanDerWaalsContact C-N 3.27Å; P475-S477 PolarHBondContact O-N 3.18Å; P475-S477 VanDerWaalsContact O-N 3.16Å; P475-I478 PolarHBondContact O-N 3.46Å; P475-R479 WeakPolarHBondContact O-CB 3.39Å; P475-R479 PolarHBondContact O-N 3.42Å
476	K	92.8	Very high	89.8	Confident	108 Å²	108	66.4 Å²	66.4	47%	0.47	33%	0.334	S	S	.	.	H	α-helix	trans	-50	-45.6	-175.9	-176.1	171.7	-179.3	168.8	0	112.7	G474 R479 N480	G474-K476 VanDerWaalsContact C-N 3.33Å; G474-K476 PolarHBondContact O-N 3.03Å; K476-R479 PolarHBondContact O-N 2.98Å; K476-N480 WeakPolarHBondContact O-CB 3.47Å; K476-N480 PolarHBondContact O-N 3.42Å; K476-N480 PolarHBondContact O-OD1 3.04Å
477	S	89.6	Confident	87.8	Confident	97 Å²	97	71.1 Å²	71.1	68%	0.678	36%	0.362	S	S	*	.	H	α-helix	trans	-65.9	-41.9	178.8	-51.2	0	0	0	0	112.7	P475 N480 L481	P475-S477 VanDerWaalsContact C-N 3.27Å; P475-S477 PolarHBondContact O-N 3.18Å; P475-S477 VanDerWaalsContact O-N 3.16Å; S477-N480 PolarHBondContact O-N 2.95Å; S477-L481 WeakPolarHBondContact O-CB 3.41Å; S477-L481 PolarHBondContact O-N 3.4Å; S477-L481 VanDerWaalsContact O-N 3.08Å
478	I	92.1	Very high	85.8	Confident	75 Å²	75	72.2 Å²	72.2	39%	0.385	37%	0.371	S	S	.	.	H	α-helix	trans	-67	-44.1	177.5	-73.9	161.4	0	0	0	110.4	T439 W472 P475 N480 L481 L482	T439-I478 HydrophobicContact CG2-CB 4.44Å; T439-I478 HydrophobicContact CG2-CG2 3.78Å; W472-I478 HydrophobicContact CH2-CD1 3.69Å; W472-I478 HydrophobicContact CZ3-CD1 3.74Å; P475-I478 PolarHBondContact O-N 3.46Å; I478-N480 PolarHBondContact O-N 3.11Å; I478-L481 PolarHBondContact O-N 3.42Å; I478-L482 HydrophobicContact CG2-CD1 3.62Å; I478-L482 HydrophobicContact CG2-CG 4.12Å; I478-L482 WeakPolarHBondContact O-CB 3.47Å; I478-L482 VanDerWaalsContact O-CG 3.29Å; I478-L482 WeakPolarHBondContact O-CG 3.46Å; I478-L482 PolarHBondContact O-N 3.13Å
479	R	93.7	Very high	83.6	Confident	12 Å²	12	77.4 Å²	77.4	5%	0.045	39%	0.391	C	S	.	.	H	α-helix	trans	-56.6	-50.6	175.3	-177.1	171.4	61.2	-134.9	1.3	110.9	Y413 L437 E438 T439 P475 K476 L481 L482 H483	Y413-R479 VanDerWaalsContact CD2-NH1 3.29Å; L437-R479 VanDerWaalsContact CG-CZ 3.48Å; L437-R479 PolarHBondContact O-NH1 3.22Å; L437-R479 VanDerWaalsContact O-NH1 3.14Å; E438-R479 WeakPolarHBondContact O-CD 3.29Å; E438-R479 WeakPolarHBondContact O-CG 3.45Å; T439-R479 HydrophobicContact CG2-CB 4.32Å; P475-R479 WeakPolarHBondContact O-CB 3.39Å; P475-R479 PolarHBondContact O-N 3.42Å; K476-R479 PolarHBondContact O-N 2.98Å; R479-L481 VanDerWaalsContact C-N 3.29Å; R479-L481 PolarHBondContact O-N 3.39Å; R479-L482 PolarHBondContact O-N 3.47Å; R479-H483 WeakPolarHBondContact O-CB 3.48Å; R479-H483 PolarHBondContact O-CD2 2.96Å; R479-H483 PolarHBondContact O-N 3.29Å
480	N	89.9	Confident	81.2	Confident	64 Å²	64	78.1 Å²	78.1	34%	0.342	41%	0.406	S	S	.	.	H	α-helix	trans	-59.3	-41.2	179.1	-70.9	-2.8	0	0	0	112.3	K476 S477 I478 L484 H485	K476-N480 WeakPolarHBondContact O-CB 3.47Å; K476-N480 PolarHBondContact O-N 3.42Å; K476-N480 PolarHBondContact O-OD1 3.04Å; S477-N480 PolarHBondContact O-N 2.95Å; I478-N480 PolarHBondContact O-N 3.11Å; N480-L484 PolarHBondContact O-N 3.5Å; N480-H485 PolarHBondContact O-N 3.44Å
481	L	90.7	Very high	78.5	Confident	121 Å²	121	81.9 Å²	81.9	63%	0.634	43%	0.425	S	S	*	.	H	α-helix	trans	-63.7	-49.1	177	179.4	63.9	0	0	0	111.8	S477 I478 R479 H483 L484	S477-L481 WeakPolarHBondContact O-CB 3.41Å; S477-L481 PolarHBondContact O-N 3.4Å; S477-L481 VanDerWaalsContact O-N 3.08Å; I478-L481 PolarHBondContact O-N 3.42Å; R479-L481 VanDerWaalsContact C-N 3.29Å; R479-L481 PolarHBondContact O-N 3.39Å; L481-H483 PolarHBondContact O-N 2.63Å; L481-L484 PolarHBondContact O-N 3.07Å
482	L	90.3	Very high	76.1	Confident	71 Å²	71	80.8 Å²	80.8	37%	0.372	43%	0.426	S	S	.	.	H	α-helix	trans	-71.6	-28.7	-175.2	-67.3	177.9	0	0	0	113.6	L440 P441 I478 R479 L484	L440-L482 HydrophobicContact CD2-CD1 3.61Å; P441-L482 HydrophobicContact CG-CB 4.47Å; I478-L482 HydrophobicContact CG2-CD1 3.62Å; I478-L482 HydrophobicContact CG2-CG 4.12Å; I478-L482 WeakPolarHBondContact O-CB 3.47Å; I478-L482 VanDerWaalsContact O-CG 3.29Å; I478-L482 WeakPolarHBondContact O-CG 3.46Å; I478-L482 PolarHBondContact O-N 3.13Å; R479-L482 PolarHBondContact O-N 3.47Å; L482-L484 VanDerWaalsContact C-N 3.3Å
483	H	87.7	Confident	73.4	Confident	31 Å²	31	86.8 Å²	86.8	14%	0.144	46%	0.456	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89	8.4	174.5	-71.5	-85.5	0	0	0	113.1	E438 R479 L481 H485 R486	E438-H483 PolarHBondContact O-NE2 3.04Å; R479-H483 WeakPolarHBondContact O-CB 3.48Å; R479-H483 PolarHBondContact O-CD2 2.96Å; R479-H483 PolarHBondContact O-N 3.29Å; L481-H483 PolarHBondContact O-N 2.63Å; H483-H485 PolarHBondContact O-N 3.06Å; H483-R486 WeakPolarHBondContact CB-O 3.33Å; H483-R486 VanDerWaalsContact O-CB 3.31Å; H483-R486 WeakPolarHBondContact O-CB 3.48Å; H483-R486 PolarHBondContact O-N 2.95Å
484	L	81.1	Confident	70.5	Confident	135 Å²	135	95.7 Å²	95.7	71%	0.707	49%	0.488	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.1	38.7	-177.2	-56.5	173.8	0	0	0	112.7	N480 L481 L482 R486	N480-L484 PolarHBondContact O-N 3.5Å; L481-L484 PolarHBondContact O-N 3.07Å; L482-L484 VanDerWaalsContact C-N 3.3Å; L484-R486 PolarHBondContact O-N 3.11Å
485	H	63.1	Low	69.3	Low	152 Å²	152	100.1 Å²	100.1	70%	0.704	51%	0.509	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.8	8.7	-173.1	-56.8	84	0	0	0	115.6	N480 H483	N480-H485 PolarHBondContact O-N 3.44Å; H483-H485 PolarHBondContact O-N 3.06Å
486	R	56.9	Low	68	Low	191 Å²	191	104.9 Å²	104.9	72%	0.721	53%	0.532	S	S	*	.	S	Bend	trans	-72.8	140.9	166.7	-63.3	-176.9	177.3	172.8	-0.7	108.6	H483 L484 S488	H483-R486 WeakPolarHBondContact CB-O 3.33Å; H483-R486 VanDerWaalsContact O-CB 3.31Å; H483-R486 WeakPolarHBondContact O-CB 3.48Å; H483-R486 PolarHBondContact O-N 2.95Å; L484-R486 PolarHBondContact O-N 3.11Å; R486-S488 PolarHBondContact O-N 3.48Å
487	P	55.1	Low	66.6	Low	108 Å²	108	104.7 Å²	104.7	70%	0.701	54%	0.536	S	S	*	.			trans	-55.4	132.6	172.4	-19.3	29.5	0	0	0	109.3	Y489	P487-Y489 PolarHBondContact O-N 3.02Å
488	S	54.6	Low	65.3	Low	28 Å²	28	105.2 Å²	105.2	20%	0.196	53%	0.528	C	S	.	.	S	Bend	trans	-61.6	-10.4	178.7	60.7	0	0	0	0	113.2	R486	R486-S488 PolarHBondContact O-N 3.48Å
489	Y	51.5	Low	63.6	Low	110 Å²	110	107.1 Å²	107.1	43%	0.431	54%	0.536	S	S	.	.			trans	-151	109.3	173	-147.4	-100.9	0	0	0	109.3	P487 P492	P487-Y489 PolarHBondContact O-N 3.02Å; Y489-P492 HydrophobicContact CE1-CG 4.24Å
490	S	44.5	Very low	61.6	Low	91 Å²	91	113.4 Å²	113.4	64%	0.636	57%	0.569	S	S	*	*			trans	-75	124.8	156.1	49.1	0	0	0	0	106.8	P492	S490-P492 WeakPolarHBondContact O-CD 3.45Å
491	D	40.3	Very low	59.6	Low	81 Å²	81	116.9 Å²	116.9	43%	0.433	59%	0.585	S	S	.	*			trans	-49.7	123.9	172.7	-158.6	-12	0	0	0	108.9	Q493 K494	D491-Q493 PolarHBondContact O-N 3.35Å; D491-K494 PolarHBondContact O-N 3.16Å
492	P	45.2	Very low	57.2	Low	96 Å²	96	116.6 Å²	116.6	62%	0.623	58%	0.582	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61	-5.1	179.1	8	-14.8	0	0	0	113.9	Y489 S490	Y489-P492 HydrophobicContact CE1-CG 4.24Å; S490-P492 WeakPolarHBondContact O-CD 3.45Å
493	Q	39.5	Very low	54.4	Low	183 Å²	183	120.4 Å²	120.4	86%	0.855	60%	0.599	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91	2.3	171.5	-68.9	-170.2	-17.9	0	0	114.9	D491	D491-Q493 PolarHBondContact O-N 3.35Å
494	K	33.8	Very low	51.4	Low	239 Å²	239	128.5 Å²	128.5	100%	1.039	64%	0.641	S	S	*	*			trans	-102.2	0	161.6	-78.7	-169.9	177.6	-173	0	109.6	D491	D491-K494 PolarHBondContact O-N 3.16Å

Retrieved 494 of 494 residues in 323.9 ms (Link to these results)

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