A0A087XSW9_POEFO Loading...

Succinyl-CoA:3-ketoacid-coenzyme A transferase

Key enzyme for ketone body catabolism. Transfers the CoA moiety from succinate to acetoacetate. Formation of the enzyme-CoA intermediate proceeds via an unstable anhydride species formed between the carboxylate groups of the enzyme and substrate.

AlphaFold DB , UniProt , Accession A0A087XSW9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 527 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	34.7	Very low	31.7	Very low	244 Å²	244	150.1 Å²	150.1	100%	1.202	83%	0.828	S	S	*	*				0	100.2	0	-68.4	-159.1	-159	0	0	107
2	A	31.4	Very low	31.5	Very low	89 Å²	89	142.7 Å²	142.7	74%	0.736	81%	0.812	S	S	*	*				82.3	95.2	106.6	0	0	0	0	0	111.7
3	T	33.6	Very low	31.3	Very low	124 Å²	124	144 Å²	144	76%	0.761	81%	0.814	S	S	*	*				68.5	129.1	81.9	49.2	0	0	0	0	117.9
4	L	33.4	Very low	31.2	Very low	144 Å²	144	143.6 Å²	143.6	75%	0.754	81%	0.807	S	S	*	*			trans	79.3	141.7	147.5	-91.2	81.9	0	0	0	117.8
5	T	34.3	Very low	31	Very low	122 Å²	122	146.7 Å²	146.7	75%	0.748	81%	0.809	S	S	*	*			cis	-165.9	135.9	42	-2.6	0	0	0	0	107
6	A	34	Very low	30.9	Very low	82 Å²	82	147.9 Å²	147.9	68%	0.678	80%	0.803	S	S	*	*				74.9	119.4	53.9	0	0	0	0	0	116.3
7	F	29	Very low	30.7	Very low	207 Å²	207	148.2 Å²	148.2	91%	0.908	80%	0.804	S	S	*	*			trans	-166	138.8	154.2	-99.2	-82.1	0	0	0	106.2
8	C	26.6	Very low	30.7	Very low	117 Å²	117	150.1 Å²	150.1	79%	0.791	81%	0.813	S	S	*	*			cis	-159.1	145.6	-22.2	-134.2	0	0	0	0	106.2
9	R	30	Very low	30.7	Very low	245 Å²	245	147.7 Å²	147.7	93%	0.925	82%	0.815	S	S	*	*			trans	-102	151.2	167.3	-89.4	-177.9	171.3	178.6	-2.9	108.9
10	A	32.2	Very low	30.6	Very low	88 Å²	88	144.1 Å²	144.1	73%	0.727	81%	0.814	S	S	*	*			trans	166	143.7	145.2	0	0	0	0	0	107.9
11	E	29.3	Very low	30.8	Very low	189 Å²	189	146.5 Å²	146.5	88%	0.883	82%	0.818	S	S	*	*			cis	-171.1	161.4	8.8	-113.7	169.3	-173.3	0	0	107.6
12	G	30.1	Very low	30.6	Very low	61 Å²	61	146.6 Å²	146.6	63%	0.629	81%	0.805	S	S	*	*			trans	-123.7	157	158.4	0	0	0	0	0	109.8
13	L	29.1	Very low	30.9	Very low	160 Å²	160	154.8 Å²	154.8	84%	0.838	82%	0.817	S	S	*	*			trans	159.9	134.4	135.3	-106.6	87.4	0	0	0	112.9
14	L	29.5	Very low	30.9	Very low	138 Å²	138	153.1 Å²	153.1	72%	0.723	82%	0.816	S	S	*	*			trans	41.5	127.1	137.8	-83.7	141.2	0	0	0	121.8
15	F	28.7	Very low	31.1	Very low	191 Å²	191	158.3 Å²	158.3	84%	0.838	83%	0.825	S	S	*	*				-170.1	162.6	113.4	-115.5	-87.1	0	0	0	114.5
16	K	28.7	Very low	31	Very low	165 Å²	165	158.4 Å²	158.4	72%	0.717	83%	0.825	S	S	*	*			trans	-75.7	157.4	-163.1	-70.2	160.6	168.6	172.1	0	117.3
17	N	27.2	Very low	30.9	Very low	153 Å²	153	161.6 Å²	161.6	82%	0.818	83%	0.831	S	S	*	*			trans	37.2	123.4	141	-70.7	-15.4	0	0	0	121.4
18	L	30.6	Very low	31.1	Very low	183 Å²	183	162 Å²	162	96%	0.958	83%	0.833	S	S	*	*			trans	-156.8	148.9	132	-103.5	161.3	0	0	0	110.5
19	A	31.2	Very low	31.6	Very low	104 Å²	104	160.4 Å²	160.4	86%	0.86	83%	0.828	S	S	*	*			trans	-80.8	156.4	-160.6	0	0	0	0	0	115.3
20	G	28.2	Very low	31.9	Very low	76 Å²	76	154.1 Å²	154.1	78%	0.784	82%	0.822	S	S	*	*			trans	-177.5	99.2	167.3	0	0	0	0	0	112.7
21	H	34.4	Very low	32.2	Very low	194 Å²	194	158.7 Å²	158.7	90%	0.898	83%	0.828	S	S	*	*			trans	-57.8	131.6	171	-84.9	-7.5	0	0	0	112.3
22	R	31.1	Very low	32.7	Very low	247 Å²	247	161 Å²	161	93%	0.932	83%	0.829	S	S	*	*			trans	-168.4	121.6	130.3	-104.6	167.9	-168.7	-150.4	3.3	111	A24	R22-A24 PolarHBondContact O-N 3.44Å
23	R	37.9	Very low	33.4	Very low	261 Å²	261	165.9 Å²	165.9	99%	0.985	84%	0.839	S	S	*	*			trans	-61.4	123.3	170	-84.9	174	166.9	171.2	-3.8	109.7
24	A	33.3	Very low	34	Very low	89 Å²	89	165.9 Å²	165.9	74%	0.736	84%	0.839	S	S	*	*			trans	-133.4	114.5	155.3	0	0	0	0	0	108.1	R22 V26	R22-A24 PolarHBondContact O-N 3.44Å; A24-V26 PolarHBondContact O-N 3.34Å
25	R	37.3	Very low	34.8	Very low	252 Å²	252	168.8 Å²	168.8	95%	0.951	85%	0.846	S	S	*	*			trans	-63.1	119.9	169.9	-84.7	176.8	167.8	173.6	-4.5	108.1
26	V	33.3	Very low	35.7	Very low	125 Å²	125	165.9 Å²	165.9	76%	0.758	84%	0.844	S	S	*	*			trans	-117.5	116.8	163.4	-179.9	0	0	0	0	107.2	A24 F28	A24-V26 PolarHBondContact O-N 3.34Å; V26-F28 PolarHBondContact O-N 3.42Å
27	N	31	Very low	36.8	Very low	148 Å²	148	163.5 Å²	163.5	79%	0.791	85%	0.847	S	S	*	*			trans	-56.8	127.3	174.3	-78.8	-27.5	0	0	0	109.7	A29	N27-A29 PolarHBondContact O-N 2.87Å
28	F	32.8	Very low	37.8	Very low	215 Å²	215	158.1 Å²	158.1	94%	0.943	83%	0.827	S	S	*	*			trans	-66.4	87.9	162.1	-89.1	-93.9	0	0	0	108.2	V26 S30	V26-F28 PolarHBondContact O-N 3.42Å; F28-S30 PolarHBondContact O-N 3.15Å
29	A	37	Very low	38.7	Very low	85 Å²	85	154 Å²	154	70%	0.702	81%	0.813	S	S	*	*			trans	-69.4	123.7	162	0	0	0	0	0	107.5	N27 H31	N27-A29 PolarHBondContact O-N 2.87Å; A29-H31 PolarHBondContact O-N 3.45Å; A29-H31 VanDerWaalsContact O-N 3.15Å
30	S	37.6	Very low	39.9	Very low	113 Å²	113	159.3 Å²	159.3	79%	0.79	81%	0.812	S	S	*	*			trans	-46.9	113.3	176.2	40	0	0	0	0	111.8	F28 R32	F28-S30 PolarHBondContact O-N 3.15Å; S30-R32 VanDerWaalsContact C-N 3.34Å; S30-R32 PolarHBondContact O-N 3.49Å
31	H	37.9	Very low	41.7	Very low	184 Å²	184	164.3 Å²	164.3	85%	0.852	81%	0.813	S	S	*	*			trans	-61.3	102.8	158.5	-93.8	-60.4	0	0	0	107.4	A29 L33	A29-H31 PolarHBondContact O-N 3.45Å; A29-H31 VanDerWaalsContact O-N 3.15Å; H31-L33 VanDerWaalsContact C-N 3.3Å; H31-L33 PolarHBondContact O-N 2.89Å
32	R	39.3	Very low	42.8	Very low	238 Å²	238	160 Å²	160	90%	0.898	80%	0.804	S	S	*	*			trans	-53.9	100.9	158.8	-97.6	-178.8	176.2	-161.9	0	106.8	S30 L34	S30-R32 VanDerWaalsContact C-N 3.34Å; S30-R32 PolarHBondContact O-N 3.49Å; R32-L34 PolarHBondContact O-N 2.66Å
33	L	45	Very low	44.1	Very low	162 Å²	162	154.2 Å²	154.2	85%	0.848	80%	0.797	S	S	*	*			trans	-51.2	108.4	156.5	-90.9	135.2	0	0	0	106.7	H31 K35	H31-L33 VanDerWaalsContact C-N 3.3Å; H31-L33 PolarHBondContact O-N 2.89Å; L33-K35 VanDerWaalsContact C-N 3.27Å; L33-K35 PolarHBondContact O-N 2.65Å
34	L	42.8	Very low	44.9	Very low	160 Å²	160	145.6 Å²	145.6	84%	0.838	78%	0.776	S	S	*	*			trans	-53	102.1	156.4	-86.9	141.4	0	0	0	105.7	R32 T36	R32-L34 PolarHBondContact O-N 2.66Å; L34-T36 PolarHBondContact O-N 3.47Å
35	K	45.4	Very low	46.1	Very low	199 Å²	199	146.1 Å²	146.1	87%	0.865	78%	0.775	S	S	*	*			trans	-58.3	93.1	160.1	-90.3	-178.7	173.6	179.8	0	105.2	L33 C37	L33-K35 VanDerWaalsContact C-N 3.27Å; L33-K35 PolarHBondContact O-N 2.65Å; K35-C37 VanDerWaalsContact C-N 3.31Å; K35-C37 PolarHBondContact O-N 3.41Å
36	T	48.7	Very low	47.3	Very low	131 Å²	131	139.5 Å²	139.5	80%	0.804	76%	0.764	S	S	*	*			trans	-51.1	108	153.9	35.1	0	0	0	0	105.1	L34 G38	L34-T36 PolarHBondContact O-N 3.47Å; T36-G38 PolarHBondContact O-N 2.92Å
37	C	49.9	Very low	49.1	Very low	114 Å²	114	139.5 Å²	139.5	77%	0.77	75%	0.751	S	S	*	*			trans	-62.8	84.7	166.9	-169.8	0	0	0	0	105.4	K35 C39	K35-C37 VanDerWaalsContact C-N 3.31Å; K35-C37 PolarHBondContact O-N 3.41Å; C37-C39 VanDerWaalsContact C-N 3.35Å; C37-C39 PolarHBondContact O-N 2.99Å
38	G	49.5	Very low	51.4	Low	40 Å²	40	135.8 Å²	135.8	41%	0.412	74%	0.736	S	S	.	*			trans	-61.4	107	166.7	0	0	0	0	0	104.9	T36 Y40	T36-G38 PolarHBondContact O-N 2.92Å; G38-Y40 WeakPolarHBondContact O-CD2 3.44Å; G38-Y40 PolarHBondContact O-N 2.8Å
39	C	48.6	Very low	54.2	Low	98 Å²	98	126 Å²	126	66%	0.662	70%	0.695	S	S	*	*			trans	-63.3	84.9	166.9	-63.1	0	0	0	0	106.5	C37 F41	C37-C39 VanDerWaalsContact C-N 3.35Å; C37-C39 PolarHBondContact O-N 2.99Å; C39-F41 VanDerWaalsContact C-N 3.33Å; C39-F41 WeakPolarHBondContact O-CD2 3.25Å; C39-F41 PolarHBondContact O-N 2.89Å
40	Y	57.5	Low	57.1	Low	214 Å²	214	127.3 Å²	127.3	84%	0.839	69%	0.687	S	S	*	*			trans	-69.2	98.8	169	-69.9	-81.2	0	0	0	106	G38	G38-Y40 WeakPolarHBondContact O-CD2 3.44Å; G38-Y40 PolarHBondContact O-N 2.8Å
41	F	66.1	Low	59.9	Low	181 Å²	181	126.4 Å²	126.4	79%	0.794	67%	0.668	S	S	*	*			trans	-58.1	149	166.7	-66.6	-80.3	0	0	0	109.1	C39 T43	C39-F41 VanDerWaalsContact C-N 3.33Å; C39-F41 WeakPolarHBondContact O-CD2 3.25Å; C39-F41 PolarHBondContact O-N 2.89Å; F41-T43 PolarHBondContact O-N 3.16Å
42	S	55.9	Low	62.8	Low	103 Å²	103	120.5 Å²	120.5	72%	0.72	64%	0.639	S	S	*	*			trans	-45.3	123.2	-174.6	-176.7	0	0	0	0	112	S44	S42-S44 VanDerWaalsContact C-N 3.32Å; S42-S44 PolarHBondContact OG-N 2.91Å; S42-S44 PolarHBondContact OG-OG 3.47Å
43	T	58.3	Low	65.5	Low	127 Å²	127	115.1 Å²	115.1	78%	0.779	64%	0.638	S	S	*	*			trans	-91.8	6.1	176	58.2	0	0	0	0	112.4	F41	F41-T43 PolarHBondContact O-N 3.16Å
44	S	55.9	Low	68	Low	79 Å²	79	110.4 Å²	110.4	55%	0.552	61%	0.614	S	S	*	*			trans	-75.7	136.1	-177.3	76.6	0	0	0	0	110.9	S42 P46	S42-S44 VanDerWaalsContact C-N 3.32Å; S42-S44 PolarHBondContact OG-N 2.91Å; S42-S44 PolarHBondContact OG-OG 3.47Å; S44-P46 VanDerWaalsContact CB-CD 3.49Å; S44-P46 WeakPolarHBondContact OG-CD 3.16Å
45	S	58.3	Low	70.6	Confident	101 Å²	101	103.9 Å²	103.9	71%	0.706	58%	0.581	S	S	*	*			trans	-96.5	8.5	-179.7	-48.5	0	0	0	0	116.8	R47	S45-R47 WeakPolarHBondContact O-CG 3.39Å; S45-R47 PolarHBondContact O-N 2.83Å
46	P	62.7	Low	73.1	Confident	112 Å²	112	96 Å²	96	73%	0.727	55%	0.55	S	S	*	.			trans	-69.5	106.5	-180	29.3	-29.2	0	0	0	108.4	S44	S44-P46 VanDerWaalsContact CB-CD 3.49Å; S44-P46 WeakPolarHBondContact OG-CD 3.16Å
47	R	71.6	Confident	75.4	Confident	125 Å²	125	93.6 Å²	93.6	47%	0.472	53%	0.529	S	S	.	.			trans	-91.1	143.8	175	-58.9	-170.1	177.5	150.4	-3.4	108.8	S45 S49 K226 A227 V260	S45-R47 WeakPolarHBondContact O-CG 3.39Å; S45-R47 PolarHBondContact O-N 2.83Å; R47-S49 VanDerWaalsContact C-N 3.34Å; R47-K226 PolarHBondContact NH1-O 3.18Å; R47-A227 VanDerWaalsContact CD-CA 3.46Å; R47-A227 VanDerWaalsContact CZ-CB 3.44Å; R47-V260 VanDerWaalsContact NH1-CG2 3.26Å
48	S	78.7	Confident	77.7	Confident	70 Å²	70	88.2 Å²	88.2	49%	0.49	49%	0.493	S	S	.	.	S	Bend	trans	-69	-32.3	-179.7	48.3	0	0	0	0	112.7	Q50	S48-Q50 PolarHBondContact O-N 3Å
49	S	92.1	Very high	80.1	Confident	10 Å²	10	86.3 Å²	86.3	7%	0.07	47%	0.473	C	S	.	.	P	Polyproline II helix	trans	-74.2	124.1	-175.9	-46.6	0	0	0	0	112.1	R47 S272 V275	R47-S49 VanDerWaalsContact C-N 3.34Å; S49-S272 PolarHBondContact OG-O 3.17Å; S49-V275 WeakPolarHBondContact CA-O 3.25Å; S49-V275 WeakPolarHBondContact CB-O 3.49Å; S49-V275 PolarHBondContact OG-O 3.03Å
50	Q	96.5	Very high	82.4	Confident	113 Å²	113	87.6 Å²	87.6	53%	0.528	47%	0.467	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	132.8	176.7	-64.8	179.9	2.1	0	0	110.6	S48 Y52 H276 R277 I278	S48-Q50 PolarHBondContact O-N 3Å; Q50-Y52 HydrophobicContact CB-CD2 4.39Å; Q50-Y52 HydrophobicContact CB-CE2 3.75Å; Q50-Y52 PolarHBondContact OE1-OH 2.67Å; Q50-H276 PolarHBondContact N-O 2.79Å; Q50-R277 CarbonylContact O-C 3.54Å; Q50-R277 VanDerWaalsContact O-CA 3.31Å; Q50-R277 WeakPolarHBondContact O-CA 3.29Å; Q50-I278 PolarHBondContact O-N 3.36Å
51	F	97.5	Very high	84.4	Confident	93 Å²	93	81 Å²	81	41%	0.408	45%	0.447	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	132.6	178.3	-72.6	-99.5	0	0	0	110.6	D225 V257 I278	F51-D225 WeakPolarHBondContact CZ-O 3.26Å; F51-V257 HydrophobicContact CD1-CG2 4.49Å; F51-V257 HydrophobicContact CE1-CG1 3.82Å; F51-V257 HydrophobicContact CE1-CG2 4.13Å; F51-I278 CarbonylContact C-O 3.49Å; F51-I278 WeakPolarHBondContact CA-O 3.48Å; F51-I278 HydrophobicContact CD1-CB 3.91Å; F51-I278 HydrophobicContact CD1-CG2 3.82Å; F51-I278 HydrophobicContact CE1-CB 3.91Å; F51-I278 HydrophobicContact CE1-CD1 3.91Å; F51-I278 HydrophobicContact CE1-CG2 3.63Å; F51-I278 HydrophobicContact CE2-CD1 4.21Å; F51-I278 HydrophobicContact CG-CB 4.45Å; F51-I278 HydrophobicContact CZ-CB 4.42Å; F51-I278 HydrophobicContact CZ-CD1 3.65Å; F51-I278 HydrophobicContact CZ-CG2 4.47Å
52	Y	98.2	Very high	85.9	Confident	60 Å²	60	72.9 Å²	72.9	24%	0.235	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	138.5	-179.5	-73	-105.1	0	0	0	109.8	Q50 E57 A58 R277 I278	Q50-Y52 HydrophobicContact CB-CD2 4.39Å; Q50-Y52 HydrophobicContact CB-CE2 3.75Å; Q50-Y52 PolarHBondContact OE1-OH 2.67Å; Y52-E57 HydrophobicContact CD1-CB 3.97Å; Y52-E57 HydrophobicContact CE1-CB 4.42Å; Y52-A58 HydrophobicContact CD1-CB 4.15Å; Y52-A58 HydrophobicContact CD2-CB 4.37Å; Y52-A58 HydrophobicContact CG-CB 3.99Å; Y52-R277 HydrophobicContact CD2-CB 4.05Å; Y52-R277 HydrophobicContact CD2-CG 4.4Å; Y52-R277 HydrophobicContact CE2-CB 3.85Å; Y52-R277 HydrophobicContact CE2-CG 3.7Å; Y52-I278 PolarHBondContact N-O 2.86Å
53	S	96.4	Very high	87.9	Confident	126 Å²	126	71.4 Å²	71.4	88%	0.881	40%	0.399	S	S	*	.	S	Bend	trans	-86.4	-20.3	175.6	56.1	0	0	0	0	113.5
54	D	97	Very high	89.9	Confident	62 Å²	62	70.9 Å²	70.9	33%	0.332	39%	0.392	S	S	.	.			trans	-122.1	122.3	179	179.7	1	0	0	0	109.9	T56 E57 A58	D54-T56 PolarHBondContact O-N 2.82Å; D54-T56 VanDerWaalsContact OD1-CB 3.3Å; D54-T56 WeakPolarHBondContact OD1-CB 3.27Å; D54-T56 PolarHBondContact OD1-N 3.02Å; D54-T56 PolarHBondContact OD1-OG1 2.82Å; D54-E57 HydrophobicContact CB-CB 4.29Å; D54-E57 HydrophobicContact CB-CG 4.04Å; D54-E57 PolarHBondContact O-N 3Å; D54-A58 PolarHBondContact O-N 2.98Å
55	P	97.4	Very high	91.9	Very high	24 Å²	24	69.3 Å²	69.3	16%	0.156	39%	0.389	C	S	.	.	H	α-helix	trans	-58.2	-27.5	174.6	21.9	-32.1	0	0	0	113.5	A58 V59 N81 L82 S85 V279	P55-A58 PolarHBondContact O-N 2.97Å; P55-V59 WeakPolarHBondContact O-CG2 3.05Å; P55-V59 PolarHBondContact O-N 3.36Å; P55-N81 HydrophobicContact CB-CB 4.49Å; P55-N81 HydrophobicContact CG-CB 4.45Å; P55-L82 HydrophobicContact CB-CD2 4.06Å; P55-S85 WeakPolarHBondContact CB-OG 3.15Å; P55-S85 WeakPolarHBondContact CG-OG 3.49Å; P55-V279 HydrophobicContact CB-CG1 4.05Å; P55-V279 HydrophobicContact CG-CG1 4.48Å
56	T	97.9	Very high	93.8	Very high	34 Å²	34	64.6 Å²	64.6	21%	0.209	36%	0.356	C	S	.	.	H	α-helix	trans	-67.5	-43.7	178.6	-43.2	0	0	0	0	111.2	D54 A58 V59 K60 S85	D54-T56 PolarHBondContact O-N 2.82Å; D54-T56 VanDerWaalsContact OD1-CB 3.3Å; D54-T56 WeakPolarHBondContact OD1-CB 3.27Å; D54-T56 PolarHBondContact OD1-N 3.02Å; D54-T56 PolarHBondContact OD1-OG1 2.82Å; T56-A58 PolarHBondContact O-N 3.14Å; T56-V59 PolarHBondContact O-N 3.36Å; T56-V59 VanDerWaalsContact O-N 3.14Å; T56-K60 WeakPolarHBondContact O-CB 3.24Å; T56-K60 PolarHBondContact O-N 3.44Å; T56-S85 PolarHBondContact N-OG 3.27Å; T56-S85 VanDerWaalsContact N-OG 3.15Å; T56-S85 PolarHBondContact OG1-OG 2.67Å
57	E	98.2	Very high	95.6	Very high	80 Å²	80	61 Å²	61	37%	0.374	33%	0.332	S	S	.	.	H	α-helix	trans	-63.8	-30.5	175.6	-69.7	-63.3	113.8	0	0	112.4	Y52 D54 V59 K60	Y52-E57 HydrophobicContact CD1-CB 3.97Å; Y52-E57 HydrophobicContact CE1-CB 4.42Å; D54-E57 HydrophobicContact CB-CB 4.29Å; D54-E57 HydrophobicContact CB-CG 4.04Å; D54-E57 PolarHBondContact O-N 3Å; E57-V59 VanDerWaalsContact C-N 3.34Å; E57-K60 IonicContact OE1-NZ 3.36Å; E57-K60 WeakPolarHBondContact OE2-CE 3.35Å; E57-K60 IonicContact OE2-NZ 2.82Å; E57-K60 PolarHBondContact OE2-NZ 2.96Å
58	A	98.1	Very high	96.8	Very high	0 Å²	0	55.1 Å²	55.1	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-72.5	-23.3	176.8	0	0	0	0	0	113.5	Y52 D54 P55 T56 I251 R277 V279	Y52-A58 HydrophobicContact CD1-CB 4.15Å; Y52-A58 HydrophobicContact CD2-CB 4.37Å; Y52-A58 HydrophobicContact CG-CB 3.99Å; D54-A58 PolarHBondContact O-N 2.98Å; P55-A58 PolarHBondContact O-N 2.97Å; T56-A58 PolarHBondContact O-N 3.14Å; A58-I251 HydrophobicContact CB-CG2 3.99Å; A58-I251 WeakPolarHBondContact O-CD1 3.48Å; A58-R277 PolarHBondContact O-NH1 3.38Å; A58-V279 HydrophobicContact CB-CG2 3.62Å
59	V	98.6	Very high	97.8	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-114	-3.8	-176.7	-57.4	0	0	0	0	114.5	P55 T56 E57 D61 I62 L82 L86 T89 L218 I251	P55-V59 WeakPolarHBondContact O-CG2 3.05Å; P55-V59 PolarHBondContact O-N 3.36Å; T56-V59 PolarHBondContact O-N 3.36Å; T56-V59 VanDerWaalsContact O-N 3.14Å; E57-V59 VanDerWaalsContact C-N 3.34Å; V59-D61 PolarHBondContact O-N 2.62Å; V59-D61 VanDerWaalsContact O-N 3.14Å; V59-I62 HydrophobicContact CB-CD1 3.92Å; V59-I62 HydrophobicContact CG1-CD1 4.31Å; V59-I62 WeakPolarHBondContact O-CB 3.34Å; V59-I62 VanDerWaalsContact O-CG1 3.29Å; V59-I62 WeakPolarHBondContact O-CG1 3.4Å; V59-I62 PolarHBondContact O-N 3.25Å; V59-L82 HydrophobicContact CG1-CB 4.46Å; V59-L82 HydrophobicContact CG1-CD2 3.85Å; V59-L86 HydrophobicContact CB-CD1 4.45Å; V59-T89 HydrophobicContact CG2-CG2 4.11Å; V59-L218 HydrophobicContact CG1-CD2 4.16Å; V59-I251 HydrophobicContact CG1-CD1 4.07Å
60	K	97.9	Very high	98.1	Very high	125 Å²	125	51.5 Å²	51.5	54%	0.543	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-23.8	-169.5	68.5	179.8	177.2	-179.6	0	115.5	T56 E57	T56-K60 WeakPolarHBondContact O-CB 3.24Å; T56-K60 PolarHBondContact O-N 3.44Å; E57-K60 IonicContact OE1-NZ 3.36Å; E57-K60 WeakPolarHBondContact OE2-CE 3.35Å; E57-K60 IonicContact OE2-NZ 2.82Å; E57-K60 PolarHBondContact OE2-NZ 2.96Å
61	D	98.1	Very high	98.2	Very high	77 Å²	77	46.2 Å²	46.2	41%	0.412	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.7	2.5	-176.9	67.5	-36.7	0	0	0	113.3	V59 P63 R277	V59-D61 PolarHBondContact O-N 2.62Å; V59-D61 VanDerWaalsContact O-N 3.14Å; D61-P63 VanDerWaalsContact O-CD 3.24Å; D61-P63 WeakPolarHBondContact O-CD 3.37Å; D61-R277 IonicContact OD1-CZ 2.88Å; D61-R277 IonicContact OD1-NH1 3.18Å; D61-R277 PolarHBondContact OD1-NH1 3.31Å; D61-R277 IonicContact OD1-NH2 3.96Å; D61-R277 IonicContact OD2-CZ 2.67Å; D61-R277 IonicContact OD2-NH1 2.67Å; D61-R277 PolarHBondContact OD2-NH1 3.15Å; D61-R277 IonicContact OD2-NH2 3.88Å; D61-R277 PolarHBondContact OD2-NH2 3.18Å
62	I	98.7	Very high	98.3	Very high	9 Å²	9	41.9 Å²	41.9	5%	0.046	24%	0.241	C	C	.	.			trans	-66.7	115.2	174.1	-63.3	179.7	0	0	0	108.6	V59 A66 I68 L86 V91 F216 L218 I251	V59-I62 HydrophobicContact CB-CD1 3.92Å; V59-I62 HydrophobicContact CG1-CD1 4.31Å; V59-I62 WeakPolarHBondContact O-CB 3.34Å; V59-I62 VanDerWaalsContact O-CG1 3.29Å; V59-I62 WeakPolarHBondContact O-CG1 3.4Å; V59-I62 PolarHBondContact O-N 3.25Å; I62-A66 HydrophobicContact CG2-CB 3.9Å; I62-I68 HydrophobicContact CD1-CD1 4.46Å; I62-I68 HydrophobicContact CG2-CD1 3.68Å; I62-I68 HydrophobicContact CG2-CG1 4.38Å; I62-L86 HydrophobicContact CB-CD1 4.3Å; I62-L86 HydrophobicContact CD1-CD1 3.85Å; I62-L86 HydrophobicContact CG2-CD1 4.31Å; I62-V91 HydrophobicContact CG2-CG2 4.47Å; I62-F216 HydrophobicContact CB-CD2 4.45Å; I62-F216 HydrophobicContact CB-CE2 4.36Å; I62-F216 HydrophobicContact CD1-CB 4.26Å; I62-F216 HydrophobicContact CD1-CD1 4.11Å; I62-F216 HydrophobicContact CD1-CG 4.05Å; I62-F216 HydrophobicContact CG1-CB 4.48Å; I62-F216 HydrophobicContact CG1-CD1 3.73Å; I62-F216 HydrophobicContact CG1-CD2 3.87Å; I62-F216 HydrophobicContact CG1-CE1 3.79Å; I62-F216 HydrophobicContact CG1-CE2 3.96Å; I62-F216 HydrophobicContact CG1-CG 3.76Å; I62-F216 HydrophobicContact CG1-CZ 3.91Å; I62-F216 HydrophobicContact CG2-CD2 4.26Å; I62-F216 HydrophobicContact CG2-CE2 4.49Å; I62-L218 HydrophobicContact CD1-CD2 4.34Å; I62-I251 HydrophobicContact CD1-CD1 4.37Å
63	P	98.6	Very high	98.3	Very high	72 Å²	72	39 Å²	39	47%	0.468	23%	0.23	S	C	.	.			trans	-79.7	161.4	-176.7	33.3	-34.9	0	0	0	111.8	D61 A66 V91	D61-P63 VanDerWaalsContact O-CD 3.24Å; D61-P63 WeakPolarHBondContact O-CD 3.37Å; P63-A66 HydrophobicContact CG-CB 4.23Å; P63-A66 WeakPolarHBondContact O-CB 3.48Å; P63-A66 PolarHBondContact O-N 2.93Å; P63-V91 VanDerWaalsContact C-CG2 3.49Å; P63-V91 WeakPolarHBondContact O-CG2 3.37Å
64	N	98.7	Very high	98.3	Very high	116 Å²	116	33.2 Å²	33.2	62%	0.62	19%	0.19	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.3	142	167	-70.6	-29.1	0	0	0	110.3	A66 V91 K92	N64-A66 VanDerWaalsContact C-N 3.28Å; N64-A66 PolarHBondContact O-N 2.99Å; N64-V91 WeakPolarHBondContact OD1-CA 3.2Å; N64-V91 WeakPolarHBondContact OD1-CG2 3.33Å; N64-K92 CarbonylContact C-O 3.5Å; N64-K92 WeakPolarHBondContact CA-O 3.16Å; N64-K92 WeakPolarHBondContact CB-O 3.47Å; N64-K92 PolarHBondContact OD1-N 2.82Å; N64-K92 PolarHBondContact OD1-O 3.38Å
65	G	98.6	Very high	98.3	Very high	47 Å²	47	30.9 Å²	30.9	49%	0.485	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	81	-0.1	179.5	0	0	0	0	0	115.5	K92 G93	G65-K92 PolarHBondContact N-O 2.85Å; G65-G93 WeakPolarHBondContact CA-O 3.21Å
66	A	98.8	Very high	98.4	Very high	2 Å²	2	30 Å²	30	2%	0.017	17%	0.172	C	C	.	.			trans	-60.5	146.3	179.8	0	0	0	0	0	112.8	I62 P63 N64 I68 T95	I62-A66 HydrophobicContact CG2-CB 3.9Å; P63-A66 HydrophobicContact CG-CB 4.23Å; P63-A66 WeakPolarHBondContact O-CB 3.48Å; P63-A66 PolarHBondContact O-N 2.93Å; N64-A66 VanDerWaalsContact C-N 3.28Å; N64-A66 PolarHBondContact O-N 2.99Å; A66-I68 HydrophobicContact CB-CG1 4.15Å; A66-T95 PolarHBondContact O-N 3.04Å
67	T	98.9	Very high	98.4	Very high	37 Å²	37	28.7 Å²	28.7	23%	0.227	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	120.6	165.2	-58.8	0	0	0	0	109.3	T95 V97 D215 F216	T67-T95 CarbonylContact C-O 3.53Å; T67-T95 WeakPolarHBondContact CA-O 3.39Å; T67-T95 HydrophobicContact CG2-CG2 4.25Å; T67-V97 HydrophobicContact CG2-CG2 3.99Å; T67-D215 PolarHBondContact N-OD2 2.76Å; T67-D215 PolarHBondContact O-N 2.76Å; T67-F216 PolarHBondContact O-N 2.76Å
68	I	98.9	Very high	98.4	Very high	1 Å²	1	25.6 Å²	25.6	1%	0.005	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	120.9	-174.1	-50.4	178.8	0	0	0	109.3	I62 A66 V70 L86 I94 T95 A96 V97 F216 L218	I62-I68 HydrophobicContact CD1-CD1 4.46Å; I62-I68 HydrophobicContact CG2-CD1 3.68Å; I62-I68 HydrophobicContact CG2-CG1 4.38Å; A66-I68 HydrophobicContact CB-CG1 4.15Å; I68-V70 HydrophobicContact CG2-CG2 3.81Å; I68-L86 HydrophobicContact CD1-CD2 3.85Å; I68-I94 HydrophobicContact CB-CG2 4.25Å; I68-I94 HydrophobicContact CD1-CD1 3.99Å; I68-I94 HydrophobicContact CD1-CG1 3.99Å; I68-I94 HydrophobicContact CD1-CG2 3.76Å; I68-I94 HydrophobicContact CG1-CG2 3.96Å; I68-T95 PolarHBondContact N-O 3Å; I68-A96 WeakPolarHBondContact O-CA 3.48Å; I68-V97 PolarHBondContact O-N 3.2Å; I68-F216 CarbonylContact C-O 3.59Å; I68-F216 WeakPolarHBondContact CA-O 3.36Å; I68-F216 HydrophobicContact CG2-CB 4.45Å; I68-L218 HydrophobicContact CG2-CD1 4.13Å; I68-L218 HydrophobicContact CG2-CG 3.84Å
69	L	98.9	Very high	98.4	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	130.7	169.2	-45	-176.5	0	0	0	108.6	V97 I154 I212 F216 A217 L218 M243 A246 A247	L69-V97 WeakPolarHBondContact CA-O 3.47Å; L69-V97 HydrophobicContact CD2-CB 3.56Å; L69-V97 HydrophobicContact CD2-CG1 4.01Å; L69-V97 HydrophobicContact CD2-CG2 3.75Å; L69-I154 HydrophobicContact CD1-CG2 4.31Å; L69-I212 HydrophobicContact CD2-CG2 4.03Å; L69-F216 PolarHBondContact N-O 2.77Å; L69-A217 HydrophobicContact CB-CB 4.08Å; L69-A217 CarbonylContact O-C 3.58Å; L69-A217 VanDerWaalsContact O-CA 3.3Å; L69-A217 WeakPolarHBondContact O-CA 3.4Å; L69-L218 PolarHBondContact O-N 2.83Å; L69-M243 HydrophobicContact CB-CB 4.07Å; L69-M243 HydrophobicContact CB-CG 3.94Å; L69-M243 HydrophobicContact CB-SD 3.98Å; L69-M243 HydrophobicContact CD1-CB 4.25Å; L69-M243 HydrophobicContact CD1-CG 4.3Å; L69-A246 HydrophobicContact CD1-CB 3.7Å; L69-A246 WeakPolarHBondContact CD1-O 3.49Å; L69-A247 HydrophobicContact CD1-CB 4.38Å
70	V	98.9	Very high	98.4	Very high	4 Å²	4	26.3 Å²	26.3	2%	0.024	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	113.4	-178.1	-173.9	0	0	0	0	109.4	I68 P79 I83 V97 S98 L108 L218 M243	I68-V70 HydrophobicContact CG2-CG2 3.81Å; V70-P79 HydrophobicContact CG1-CG 3.77Å; V70-I83 HydrophobicContact CG1-CD1 4.09Å; V70-I83 HydrophobicContact CG1-CG1 4.42Å; V70-V97 PolarHBondContact N-O 3.34Å; V70-S98 WeakPolarHBondContact O-CB 3.21Å; V70-S98 PolarHBondContact O-OG 3.23Å; V70-L108 HydrophobicContact CB-CD1 4.12Å; V70-L108 HydrophobicContact CB-CD2 4.42Å; V70-L108 HydrophobicContact CG1-CD1 4.22Å; V70-L108 HydrophobicContact CG1-CD2 4.11Å; V70-L108 HydrophobicContact CG1-CG 4.22Å; V70-L108 HydrophobicContact CG2-CD1 4.44Å; V70-L108 HydrophobicContact CG2-CD2 4.15Å; V70-L218 HydrophobicContact CG2-CD1 4.5Å; V70-M243 VanDerWaalsContact O-SD 3.39Å
71	G	98.8	Very high	98.4	Very high	1 Å²	1	21.3 Å²	21.3	1%	0.01	13%	0.134	C	C	.	.			trans	-69.8	168.9	-177.5	0	0	0	0	0	113.9	P79 L218 N240 M243	G71-P79 WeakPolarHBondContact O-CD 3.42Å; G71-L218 PolarHBondContact N-O 3.01Å; G71-N240 WeakPolarHBondContact CA-OD1 3.37Å; G71-M243 PolarHBondContact N-SD 3.2Å
72	G	98.4	Very high	98.5	Very high	2 Å²	2	17.7 Å²	17.7	2%	0.021	11%	0.114	C	C	.	.			trans	116.6	165.9	-178.9	0	0	0	0	0	114.2	C76 G77 N238 N240	G72-C76 WeakPolarHBondContact CA-O 3.18Å; G72-G77 VanDerWaalsContact CA-O 3.27Å; G72-G77 WeakPolarHBondContact CA-O 3.48Å; G72-G77 PolarHBondContact N-O 2.91Å; G72-N238 VanDerWaalsContact C-OD1 3.27Å; G72-N238 WeakPolarHBondContact CA-OD1 3.33Å; G72-N238 PolarHBondContact N-OD1 3.34Å; G72-N240 PolarHBondContact N-ND2 3.22Å
73	F	98.4	Very high	98.5	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	11%	0.113	C	C	.	.	B	Isolated β-bridge	trans	-137.9	114.6	173.4	-178.7	-85.3	0	0	0	109	L75 C76 N99 Q147 N238 N354 I373 A375 K377	F73-L75 PolarHBondContact O-N 3.43Å; F73-C76 PolarHBondContact N-O 3.44Å; F73-C76 WeakPolarHBondContact O-CB 3.24Å; F73-C76 PolarHBondContact O-N 3.11Å; F73-N99 WeakPolarHBondContact CD2-ND2 3.4Å; F73-N99 WeakPolarHBondContact CE2-ND2 3.49Å; F73-Q147 VanDerWaalsContact CE2-NE2 3.34Å; F73-N238 HydrophobicContact CB-CB 3.98Å; F73-N238 PolarHBondContact N-ND2 3.22Å; F73-N354 HydrophobicContact CB-CB 4.4Å; F73-N354 HydrophobicContact CD1-CB 3.66Å; F73-N354 HydrophobicContact CD2-CB 3.76Å; F73-N354 HydrophobicContact CE1-CB 3.75Å; F73-N354 HydrophobicContact CE2-CB 3.88Å; F73-N354 HydrophobicContact CG-CB 3.67Å; F73-N354 HydrophobicContact CZ-CB 3.86Å; F73-I373 HydrophobicContact CD1-CD1 3.89Å; F73-I373 HydrophobicContact CE1-CD1 4.4Å; F73-A375 WeakPolarHBondContact CZ-O 3.33Å; F73-K377 HydrophobicContact CD1-CG 4.49Å; F73-K377 HydrophobicContact CE1-CD 4.13Å; F73-K377 HydrophobicContact CE1-CG 4.16Å
74	G	96.7	Very high	98.5	Very high	4 Å²	4	16.5 Å²	16.5	4%	0.041	10%	0.104	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.3	-119.5	-163	0	0	0	0	0	110.2	I78 N100	G74-I78 WeakPolarHBondContact O-CG2 2.98Å; G74-N100 PolarHBondContact N-OD1 3.14Å; G74-N100 VanDerWaalsContact N-OD1 3.11Å
75	L	97.6	Very high	98.4	Very high	13 Å²	13	11.1 Å²	11.1	7%	0.068	8%	0.075	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.7	-3.2	172.3	-51.9	-175.1	0	0	0	113.8	F73 G77 I78 V103 F106 R287 E289	F73-L75 PolarHBondContact O-N 3.43Å; L75-G77 PolarHBondContact O-N 2.84Å; L75-I78 HydrophobicContact CD2-CD1 4.29Å; L75-V103 HydrophobicContact CD1-CG1 4.35Å; L75-V103 HydrophobicContact CD1-CG2 4.09Å; L75-V103 HydrophobicContact CD2-CG1 4.38Å; L75-V103 HydrophobicContact CD2-CG2 4.23Å; L75-F106 HydrophobicContact CD1-CD1 4.08Å; L75-F106 HydrophobicContact CD2-CB 4.46Å; L75-F106 HydrophobicContact CD2-CD1 4.07Å; L75-F106 HydrophobicContact CG-CD1 4.48Å; L75-R287 WeakPolarHBondContact CB-O 3.35Å; L75-R287 HydrophobicContact CD1-CB 4.13Å; L75-R287 HydrophobicContact CD1-CG 3.93Å; L75-E289 HydrophobicContact CD1-CB 4.08Å; L75-E289 HydrophobicContact CG-CB 4.2Å
76	C	98.5	Very high	98.4	Very high	7 Å²	7	9 Å²	9	5%	0.047	5%	0.053	C	C	.	.	B	Isolated β-bridge	trans	-80.9	119.7	-177.6	-173.9	0	0	0	0	111.1	G72 F73 N238 A370 I373	G72-C76 WeakPolarHBondContact CA-O 3.18Å; F73-C76 PolarHBondContact N-O 3.44Å; F73-C76 WeakPolarHBondContact O-CB 3.24Å; F73-C76 PolarHBondContact O-N 3.11Å; C76-N238 PolarHBondContact O-ND2 2.61Å; C76-A370 PolarHBondContact SG-O 3.05Å; C76-I373 HydrophobicContact CB-CD1 3.39Å; C76-I373 HydrophobicContact CB-CG1 3.75Å
77	G	98.4	Very high	98.4	Very high	6 Å²	6	11.2 Å²	11.2	6%	0.062	6%	0.064	C	C	.	.	T	Hydrogen-bonded Turn	trans	68.9	33.4	-179.5	0	0	0	0	0	113.8	G72 L75 K220 N240	G72-G77 VanDerWaalsContact CA-O 3.27Å; G72-G77 WeakPolarHBondContact CA-O 3.48Å; G72-G77 PolarHBondContact N-O 2.91Å; L75-G77 PolarHBondContact O-N 2.84Å; G77-K220 WeakPolarHBondContact O-CB 3.09Å; G77-N240 PolarHBondContact O-ND2 3.47Å
78	I	98.5	Very high	98.4	Very high	14 Å²	14	17 Å²	17	7%	0.072	9%	0.086	C	C	.	.			trans	-82.7	146.8	172.1	65.3	173.8	0	0	0	110.9	G74 L75 E80 F106 K220	G74-I78 WeakPolarHBondContact O-CG2 2.98Å; L75-I78 HydrophobicContact CD2-CD1 4.29Å; I78-E80 VanDerWaalsContact C-N 3.3Å; I78-E80 HydrophobicContact CG1-CB 4.42Å; I78-E80 PolarHBondContact O-N 2.89Å; I78-F106 HydrophobicContact CD1-CD1 3.64Å; I78-F106 HydrophobicContact CD1-CE1 3.59Å; I78-F106 HydrophobicContact CG1-CE1 4.49Å; I78-K220 WeakPolarHBondContact O-CB 3.46Å
79	P	98.4	Very high	98.3	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	10%	0.102	C	C	.	.			trans	-82	70.3	177.3	33.4	-36.2	0	0	0	111.8	V70 G71 N81 L82 I83 L218 K220 E253	V70-P79 HydrophobicContact CG1-CG 3.77Å; G71-P79 WeakPolarHBondContact O-CD 3.42Å; P79-N81 PolarHBondContact O-N 2.94Å; P79-L82 HydrophobicContact CB-CB 4.26Å; P79-L82 HydrophobicContact CB-CD1 4.17Å; P79-L82 PolarHBondContact O-N 2.9Å; P79-I83 HydrophobicContact CG-CD1 3.97Å; P79-I83 HydrophobicContact CG-CG1 4.16Å; P79-I83 WeakPolarHBondContact O-CB 3.31Å; P79-I83 VanDerWaalsContact O-CG1 3.24Å; P79-I83 WeakPolarHBondContact O-CG1 3.32Å; P79-I83 PolarHBondContact O-N 3.48Å; P79-L218 HydrophobicContact CB-CB 4.35Å; P79-L218 HydrophobicContact CG-CB 3.89Å; P79-K220 HydrophobicContact CB-CB 4.34Å; P79-E253 WeakPolarHBondContact CA-OE1 3.44Å; P79-E253 HydrophobicContact CB-CG 3.91Å
80	E	98.1	Very high	98.3	Very high	16 Å²	16	21 Å²	21	8%	0.075	12%	0.117	C	C	.	.	H	α-helix	trans	-61.9	-34.6	-169.4	61.7	175.7	-115.9	0	0	114.4	I78 N84 F106 E253 Y284 E285 K286	I78-E80 VanDerWaalsContact C-N 3.3Å; I78-E80 HydrophobicContact CG1-CB 4.42Å; I78-E80 PolarHBondContact O-N 2.89Å; E80-N84 WeakPolarHBondContact O-CB 3.29Å; E80-N84 VanDerWaalsContact O-CG 3.27Å; E80-N84 PolarHBondContact O-N 2.87Å; E80-N84 PolarHBondContact O-ND2 2.88Å; E80-F106 HydrophobicContact CB-CZ 4.21Å; E80-F106 WeakPolarHBondContact OE2-CZ 3.34Å; E80-E253 PolarHBondContact N-OE1 3.08Å; E80-Y284 HydrophobicContact CG-CD1 3.93Å; E80-Y284 HydrophobicContact CG-CE1 4.26Å; E80-Y284 WeakPolarHBondContact OE1-CA 3.32Å; E80-E285 PolarHBondContact OE1-N 3.4Å; E80-E285 PolarHBondContact OE2-N 2.95Å; E80-K286 PolarHBondContact OE2-N 3.12Å
81	N	98.4	Very high	98.2	Very high	20 Å²	20	21.1 Å²	21.1	11%	0.107	12%	0.118	C	C	.	.	H	α-helix	trans	-75	-43.3	179.7	-68.7	-90.3	0	0	0	110.8	P55 P79 N84 S85 E253 S283 Y284	P55-N81 HydrophobicContact CB-CB 4.49Å; P55-N81 HydrophobicContact CG-CB 4.45Å; P79-N81 PolarHBondContact O-N 2.94Å; N81-N84 PolarHBondContact O-N 3.37Å; N81-S85 PolarHBondContact O-N 3.28Å; N81-E253 VanDerWaalsContact CA-OE2 3.31Å; N81-E253 WeakPolarHBondContact CA-OE2 3.38Å; N81-E253 WeakPolarHBondContact CB-OE2 3.07Å; N81-E253 PolarHBondContact N-OE2 3.03Å; N81-S283 PolarHBondContact ND2-O 3.33Å; N81-S283 PolarHBondContact OD1-O 2.99Å; N81-Y284 WeakPolarHBondContact ND2-CE1 3.37Å
82	L	98.7	Very high	98.2	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-64.1	-40.1	176	-63.7	174.1	0	0	0	111.8	P55 V59 P79 S85 L86 L218 I251 E253	P55-L82 HydrophobicContact CB-CD2 4.06Å; V59-L82 HydrophobicContact CG1-CB 4.46Å; V59-L82 HydrophobicContact CG1-CD2 3.85Å; P79-L82 HydrophobicContact CB-CB 4.26Å; P79-L82 HydrophobicContact CB-CD1 4.17Å; P79-L82 PolarHBondContact O-N 2.9Å; L82-S85 PolarHBondContact O-N 2.99Å; L82-L86 WeakPolarHBondContact O-CB 3.43Å; L82-L86 PolarHBondContact O-N 2.89Å; L82-L218 HydrophobicContact CB-CD1 4.33Å; L82-L218 HydrophobicContact CB-CD2 4.44Å; L82-L218 HydrophobicContact CD1-CB 4.29Å; L82-L218 HydrophobicContact CD1-CD2 4.32Å; L82-I251 HydrophobicContact CD1-CB 4.32Å; L82-I251 HydrophobicContact CD1-CG2 3.78Å; L82-I251 HydrophobicContact CD2-CG2 3.66Å; L82-I251 HydrophobicContact CG-CG2 4.4Å; L82-E253 HydrophobicContact CD1-CB 4Å; L82-E253 HydrophobicContact CD1-CG 3.96Å; L82-E253 HydrophobicContact CG-CB 4.05Å; L82-E253 HydrophobicContact CG-CG 4.14Å; L82-E253 WeakPolarHBondContact CG-OE2 3.32Å; L82-E253 PolarHBondContact N-OE2 2.98Å
83	I	98.6	Very high	98.2	Very high	3 Å²	3	26.4 Å²	26.4	2%	0.015	15%	0.147	C	C	.	.	H	α-helix	trans	-62.3	-46.4	174.5	-70.1	165.5	0	0	0	110.4	V70 P79 S85 L86 L87 G107 L108 L111	V70-I83 HydrophobicContact CG1-CD1 4.09Å; V70-I83 HydrophobicContact CG1-CG1 4.42Å; P79-I83 HydrophobicContact CG-CD1 3.97Å; P79-I83 HydrophobicContact CG-CG1 4.16Å; P79-I83 WeakPolarHBondContact O-CB 3.31Å; P79-I83 VanDerWaalsContact O-CG1 3.24Å; P79-I83 WeakPolarHBondContact O-CG1 3.32Å; P79-I83 PolarHBondContact O-N 3.48Å; I83-S85 VanDerWaalsContact C-N 3.29Å; I83-S85 PolarHBondContact O-N 2.85Å; I83-L86 PolarHBondContact O-N 2.67Å; I83-L87 WeakPolarHBondContact O-CB 3.24Å; I83-L87 PolarHBondContact O-N 2.87Å; I83-G107 WeakPolarHBondContact CG2-O 3.34Å; I83-L108 HydrophobicContact CD1-CD2 4.42Å; I83-L108 HydrophobicContact CG1-CD2 4.44Å; I83-L111 HydrophobicContact CG2-CD1 4.5Å; I83-L111 HydrophobicContact CG2-CG 4.33Å
84	N	98.3	Very high	98.2	Very high	54 Å²	54	26.5 Å²	26.5	29%	0.289	15%	0.148	S	C	.	.	H	α-helix	trans	-63.7	-34.1	177.1	-79.6	-42	0	0	0	112.6	E80 N81 L87 K88 L110	E80-N84 WeakPolarHBondContact O-CB 3.29Å; E80-N84 VanDerWaalsContact O-CG 3.27Å; E80-N84 PolarHBondContact O-N 2.87Å; E80-N84 PolarHBondContact O-ND2 2.88Å; N81-N84 PolarHBondContact O-N 3.37Å; N84-L87 WeakPolarHBondContact O-CB 3.41Å; N84-K88 WeakPolarHBondContact O-CG 3.31Å; N84-K88 PolarHBondContact O-N 2.7Å; N84-L110 WeakPolarHBondContact OD1-CD1 3.37Å
85	S	98.4	Very high	98.3	Very high	2 Å²	2	27.5 Å²	27.5	1%	0.014	15%	0.153	C	C	.	.	H	α-helix	trans	-70.6	-40.7	173.1	-81.9	0	0	0	0	112.3	P55 T56 N81 L82 I83 L87 K88 T89	P55-S85 WeakPolarHBondContact CB-OG 3.15Å; P55-S85 WeakPolarHBondContact CG-OG 3.49Å; T56-S85 PolarHBondContact N-OG 3.27Å; T56-S85 VanDerWaalsContact N-OG 3.15Å; T56-S85 PolarHBondContact OG1-OG 2.67Å; N81-S85 PolarHBondContact O-N 3.28Å; L82-S85 PolarHBondContact O-N 2.99Å; I83-S85 VanDerWaalsContact C-N 3.29Å; I83-S85 PolarHBondContact O-N 2.85Å; S85-L87 VanDerWaalsContact C-N 3.29Å; S85-L87 PolarHBondContact O-N 2.95Å; S85-K88 WeakPolarHBondContact O-CB 3.32Å; S85-K88 PolarHBondContact O-N 2.89Å; S85-K88 VanDerWaalsContact O-N 3.08Å; S85-T89 WeakPolarHBondContact O-CG2 3.29Å; S85-T89 PolarHBondContact O-N 2.65Å; S85-T89 VanDerWaalsContact O-N 3.16Å
86	L	98.3	Very high	98.4	Very high	2 Å²	2	27 Å²	27	1%	0.01	15%	0.151	C	C	.	.	H	α-helix	trans	-64.6	-33.4	175.1	-165.5	66.8	0	0	0	112.5	V59 I62 I68 L82 I83 K88 T89 V91 I94 L111 Q116 L218	V59-L86 HydrophobicContact CB-CD1 4.45Å; I62-L86 HydrophobicContact CB-CD1 4.3Å; I62-L86 HydrophobicContact CD1-CD1 3.85Å; I62-L86 HydrophobicContact CG2-CD1 4.31Å; I68-L86 HydrophobicContact CD1-CD2 3.85Å; L82-L86 WeakPolarHBondContact O-CB 3.43Å; L82-L86 PolarHBondContact O-N 2.89Å; I83-L86 PolarHBondContact O-N 2.67Å; L86-K88 VanDerWaalsContact C-N 3.3Å; L86-K88 PolarHBondContact O-N 2.97Å; L86-T89 PolarHBondContact O-N 2.91Å; L86-T89 PolarHBondContact O-OG1 2.88Å; L86-V91 HydrophobicContact CD1-CG1 3.46Å; L86-V91 VanDerWaalsContact CD1-CG1 3.46Å; L86-V91 HydrophobicContact CD2-CG1 4.49Å; L86-V91 HydrophobicContact CG-CG1 3.79Å; L86-I94 HydrophobicContact CD2-CD1 3.99Å; L86-L111 HydrophobicContact CD2-CD1 3.88Å; L86-Q116 PolarHBondContact O-NE2 3.47Å; L86-L218 HydrophobicContact CD2-CD1 4.08Å
87	L	98.4	Very high	98.4	Very high	50 Å²	50	26.7 Å²	26.7	26%	0.262	15%	0.149	S	C	.	.	H	α-helix	trans	-58.6	-43.5	170.9	176.4	68.1	0	0	0	110.9	I83 N84 S85 G90 L110 L111 T114 Q116	I83-L87 WeakPolarHBondContact O-CB 3.24Å; I83-L87 PolarHBondContact O-N 2.87Å; N84-L87 WeakPolarHBondContact O-CB 3.41Å; S85-L87 VanDerWaalsContact C-N 3.29Å; S85-L87 PolarHBondContact O-N 2.95Å; L87-G90 PolarHBondContact O-N 2.75Å; L87-L110 HydrophobicContact CD2-CB 4.33Å; L87-L111 HydrophobicContact CB-CD2 3.78Å; L87-L111 HydrophobicContact CD1-CD2 4.05Å; L87-T114 HydrophobicContact CD1-CG2 3.48Å; L87-T114 VanDerWaalsContact CD1-CG2 3.48Å; L87-Q116 PolarHBondContact O-OE1 2.99Å
88	K	98	Very high	98.4	Very high	157 Å²	157	26.6 Å²	26.6	68%	0.683	15%	0.147	S	C	*	.	H	α-helix	trans	-69.5	-32.1	-179.6	-65.9	168	-171.1	173.6	0	113.3	N84 S85 L86 G90	N84-K88 WeakPolarHBondContact O-CG 3.31Å; N84-K88 PolarHBondContact O-N 2.7Å; S85-K88 WeakPolarHBondContact O-CB 3.32Å; S85-K88 PolarHBondContact O-N 2.89Å; S85-K88 VanDerWaalsContact O-N 3.08Å; L86-K88 VanDerWaalsContact C-N 3.3Å; L86-K88 PolarHBondContact O-N 2.97Å; K88-G90 PolarHBondContact O-N 2.9Å
89	T	98.1	Very high	98.4	Very high	55 Å²	55	26 Å²	26	34%	0.337	14%	0.144	S	C	.	.	H	α-helix	trans	-67.5	-23.4	177.3	71.6	0	0	0	0	112.3	V59 S85 L86 V91	V59-T89 HydrophobicContact CG2-CG2 4.11Å; S85-T89 WeakPolarHBondContact O-CG2 3.29Å; S85-T89 PolarHBondContact O-N 2.65Å; S85-T89 VanDerWaalsContact O-N 3.16Å; L86-T89 PolarHBondContact O-N 2.91Å; L86-T89 PolarHBondContact O-OG1 2.88Å; T89-V91 PolarHBondContact O-N 2.92Å; T89-V91 PolarHBondContact OG1-N 2.82Å
90	G	97.6	Very high	98.3	Very high	31 Å²	31	26.5 Å²	26.5	32%	0.32	15%	0.147	S	C	.	.	T	Hydrogen-bonded Turn	trans	71.7	11.4	179.3	0	0	0	0	0	114.5	L87 K88 K92	L87-G90 PolarHBondContact O-N 2.75Å; K88-G90 PolarHBondContact O-N 2.9Å; G90-K92 WeakPolarHBondContact O-CE 3.29Å; G90-K92 WeakPolarHBondContact O-CG 3.48Å; G90-K92 PolarHBondContact O-N 3.27Å
91	V	98.3	Very high	98.2	Very high	7 Å²	7	25.7 Å²	25.7	4%	0.042	14%	0.143	C	C	.	.			trans	-53.8	136.4	179.3	65.7	0	0	0	0	111.4	I62 P63 N64 L86 T89 I94 Q116	I62-V91 HydrophobicContact CG2-CG2 4.47Å; P63-V91 VanDerWaalsContact C-CG2 3.49Å; P63-V91 WeakPolarHBondContact O-CG2 3.37Å; N64-V91 WeakPolarHBondContact OD1-CA 3.2Å; N64-V91 WeakPolarHBondContact OD1-CG2 3.33Å; L86-V91 HydrophobicContact CD1-CG1 3.46Å; L86-V91 VanDerWaalsContact CD1-CG1 3.46Å; L86-V91 HydrophobicContact CD2-CG1 4.49Å; L86-V91 HydrophobicContact CG-CG1 3.79Å; T89-V91 PolarHBondContact O-N 2.92Å; T89-V91 PolarHBondContact OG1-N 2.82Å; V91-I94 HydrophobicContact CG1-CD1 3.65Å; V91-I94 HydrophobicContact CG1-CG1 4.31Å; V91-Q116 WeakPolarHBondContact O-CB 3.47Å; V91-Q116 WeakPolarHBondContact O-CG 3.38Å; V91-Q116 PolarHBondContact O-NE2 3.27Å
92	K	98.4	Very high	98	Very high	87 Å²	87	25.1 Å²	25.1	38%	0.378	14%	0.142	S	C	.	.			trans	-120.5	164.8	-172.8	-60.2	-59.1	178.8	-171.3	0	112.4	N64 G65 G90 I94 T114 Q116	N64-K92 CarbonylContact C-O 3.5Å; N64-K92 WeakPolarHBondContact CA-O 3.16Å; N64-K92 WeakPolarHBondContact CB-O 3.47Å; N64-K92 PolarHBondContact OD1-N 2.82Å; N64-K92 PolarHBondContact OD1-O 3.38Å; G65-K92 PolarHBondContact N-O 2.85Å; G90-K92 WeakPolarHBondContact O-CE 3.29Å; G90-K92 WeakPolarHBondContact O-CG 3.48Å; G90-K92 PolarHBondContact O-N 3.27Å; K92-I94 VanDerWaalsContact C-N 3.29Å; K92-I94 PolarHBondContact O-N 3.27Å; K92-T114 PolarHBondContact NZ-O 3.44Å; K92-Q116 CarbonylContact C-O 3.51Å; K92-Q116 HydrophobicContact CD-CB 4.36Å; K92-Q116 HydrophobicContact CD-CG 3.84Å; K92-Q116 VanDerWaalsContact NZ-CG 3.31Å
93	G	98.6	Very high	97.9	Very high	26 Å²	26	26.2 Å²	26.2	27%	0.268	15%	0.148	S	C	.	.	S	Bend	trans	76.4	16.7	173.4	0	0	0	0	0	113.7	G65 Q116	G65-G93 WeakPolarHBondContact CA-O 3.21Å; G93-Q116 PolarHBondContact N-O 3.5Å
94	I	98.8	Very high	97.6	Very high	2 Å²	2	28.8 Å²	28.8	1%	0.01	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.5	136.9	-174	-65.9	163.7	0	0	0	110.5	I68 L86 V91 K92 A96 Q116 I117 K118 R119	I68-I94 HydrophobicContact CB-CG2 4.25Å; I68-I94 HydrophobicContact CD1-CD1 3.99Å; I68-I94 HydrophobicContact CD1-CG1 3.99Å; I68-I94 HydrophobicContact CD1-CG2 3.76Å; I68-I94 HydrophobicContact CG1-CG2 3.96Å; L86-I94 HydrophobicContact CD2-CD1 3.99Å; V91-I94 HydrophobicContact CG1-CD1 3.65Å; V91-I94 HydrophobicContact CG1-CG1 4.31Å; K92-I94 VanDerWaalsContact C-N 3.29Å; K92-I94 PolarHBondContact O-N 3.27Å; I94-A96 HydrophobicContact CG2-CB 4.1Å; I94-Q116 HydrophobicContact CD1-CB 4.33Å; I94-Q116 PolarHBondContact N-O 3.08Å; I94-I117 HydrophobicContact CB-CG1 4.48Å; I94-K118 PolarHBondContact O-N 3.07Å; I94-R119 PolarHBondContact O-N 3.26Å; I94-R119 VanDerWaalsContact O-N 3.12Å
95	T	98.9	Very high	97.5	Very high	26 Å²	26	30.7 Å²	30.7	16%	0.16	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	102.4	158.8	-61.6	0	0	0	0	108	A66 T67 I68 R119 I121	A66-T95 PolarHBondContact O-N 3.04Å; T67-T95 CarbonylContact C-O 3.53Å; T67-T95 WeakPolarHBondContact CA-O 3.39Å; T67-T95 HydrophobicContact CG2-CG2 4.25Å; I68-T95 PolarHBondContact N-O 3Å; T95-R119 CarbonylContact C-O 3.43Å; T95-R119 WeakPolarHBondContact CA-O 3.23Å; T95-R119 HydrophobicContact CG2-CB 4.13Å; T95-R119 HydrophobicContact CG2-CG 4.02Å; T95-I121 HydrophobicContact CG2-CD1 4.25Å; T95-I121 HydrophobicContact CG2-CG1 4.36Å
96	A	98.8	Very high	97.4	Very high	2 Å²	2	31.2 Å²	31.2	2%	0.017	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	123.5	-179	0	0	0	0	0	109.9	I68 I94 I117 R119 M120 I121	I68-A96 WeakPolarHBondContact O-CA 3.48Å; I94-A96 HydrophobicContact CG2-CB 4.1Å; A96-I117 HydrophobicContact CB-CD1 4.19Å; A96-I117 HydrophobicContact CB-CG1 4.37Å; A96-I117 HydrophobicContact CB-CG2 4.15Å; A96-R119 PolarHBondContact N-O 2.98Å; A96-M120 HydrophobicContact CB-SD 3.66Å; A96-M120 CarbonylContact O-C 3.57Å; A96-M120 WeakPolarHBondContact O-CA 3.49Å; A96-I121 PolarHBondContact O-N 2.93Å
97	V	98.9	Very high	97.4	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	107.7	173	-173.5	0	0	0	0	107.4	T67 I68 L69 V70 I121 L150 I154 I212 M243	T67-V97 HydrophobicContact CG2-CG2 3.99Å; I68-V97 PolarHBondContact O-N 3.2Å; L69-V97 WeakPolarHBondContact CA-O 3.47Å; L69-V97 HydrophobicContact CD2-CB 3.56Å; L69-V97 HydrophobicContact CD2-CG1 4.01Å; L69-V97 HydrophobicContact CD2-CG2 3.75Å; V70-V97 PolarHBondContact N-O 3.34Å; V97-I121 HydrophobicContact CG1-CB 4.3Å; V97-I121 HydrophobicContact CG2-CB 4.24Å; V97-I121 HydrophobicContact CG2-CD1 4.02Å; V97-I121 HydrophobicContact CG2-CG1 4.31Å; V97-L150 HydrophobicContact CG1-CD1 3.79Å; V97-I154 HydrophobicContact CG1-CD1 4.11Å; V97-I154 HydrophobicContact CG1-CG1 4.47Å; V97-I212 HydrophobicContact CG1-CD1 4.41Å; V97-I212 HydrophobicContact CG1-CG2 4.13Å; V97-I212 HydrophobicContact CG2-CG2 4.04Å; V97-M243 WeakPolarHBondContact O-CE 3.34Å
98	S	98.6	Very high	97.3	Very high	5 Å²	5	29.2 Å²	29.2	4%	0.035	17%	0.165	C	C	.	.			trans	-154.3	148.8	-179	-165.7	0	0	0	0	110.4	V70 N100 I121 S122	V70-S98 WeakPolarHBondContact O-CB 3.21Å; V70-S98 PolarHBondContact O-OG 3.23Å; S98-N100 WeakPolarHBondContact CB-O 3.3Å; S98-N100 PolarHBondContact O-N 3.32Å; S98-N100 PolarHBondContact OG-O 3.21Å; S98-I121 PolarHBondContact N-O 3.16Å; S98-S122 WeakPolarHBondContact O-CA 3.49Å; S98-S122 VanDerWaalsContact O-CB 3.23Å; S98-S122 WeakPolarHBondContact O-CB 3.41Å; S98-S122 PolarHBondContact O-OG 3.3Å
99	N	98.3	Very high	97.3	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	13%	0.133	C	C	.	.	S	Bend	trans	-57.6	-41.6	-179.2	-168.7	54.3	0	0	0	112.2	F73 S123 Y124 Q147 F239	F73-N99 WeakPolarHBondContact CD2-ND2 3.4Å; F73-N99 WeakPolarHBondContact CE2-ND2 3.49Å; N99-S123 PolarHBondContact O-N 3.35Å; N99-S123 PolarHBondContact O-OG 3.09Å; N99-S123 PolarHBondContact OD1-OG 2.67Å; N99-Y124 PolarHBondContact O-N 2.67Å; N99-Q147 VanDerWaalsContact OD1-CG 3.26Å; N99-Q147 WeakPolarHBondContact OD1-CG 3.39Å; N99-F239 HydrophobicContact CB-CD2 3.67Å; N99-F239 HydrophobicContact CB-CE2 3.53Å; N99-F239 HydrophobicContact CB-CG 4.37Å; N99-F239 HydrophobicContact CB-CZ 4.1Å; N99-F239 WeakPolarHBondContact OD1-CE2 3.39Å
100	N	96.3	Very high	97.3	Very high	11 Å²	11	20.3 Å²	20.3	6%	0.059	12%	0.123	C	C	.	.			trans	-141.2	167.3	-179.4	-52.4	110.1	0	0	0	109.7	G74 S98 Y124	G74-N100 PolarHBondContact N-OD1 3.14Å; G74-N100 VanDerWaalsContact N-OD1 3.11Å; S98-N100 WeakPolarHBondContact CB-O 3.3Å; S98-N100 PolarHBondContact O-N 3.32Å; S98-N100 PolarHBondContact OG-O 3.21Å; N100-Y124 WeakPolarHBondContact ND2-CB 3.47Å; N100-Y124 PolarHBondContact ND2-O 3.01Å
101	A	95.5	Very high	97.4	Very high	0 Å²	0	19 Å²	19	0%	0	11%	0.108	C	C	.	.			trans	-94.2	12	172.9	0	0	0	0	0	113.9	L108 G109 L112 M120 F131	A101-L108 HydrophobicContact CB-CB 4.21Å; A101-L108 CarbonylContact O-C 3.48Å; A101-L108 WeakPolarHBondContact O-CA 3.21Å; A101-L108 WeakPolarHBondContact O-CB 3.22Å; A101-L108 PolarHBondContact O-N 2.83Å; A101-G109 PolarHBondContact O-N 3.01Å; A101-L112 HydrophobicContact CB-CD1 3.76Å; A101-M120 HydrophobicContact CB-CE 3.93Å; A101-F131 HydrophobicContact CB-CD1 3.38Å; A101-F131 HydrophobicContact CB-CE1 3.7Å; A101-F131 HydrophobicContact CB-CG 4.21Å
102	G	95.2	Very high	97.3	Very high	8 Å²	8	18.6 Å²	18.6	8%	0.082	11%	0.106	C	C	.	.			trans	66.9	-144.7	-166.4	0	0	0	0	0	111.7
103	V	95.9	Very high	97.3	Very high	22 Å²	22	19.4 Å²	19.4	13%	0.133	11%	0.111	C	C	.	.	B	Isolated β-bridge	trans	-115	169.5	178.7	-62.3	0	0	0	0	110.3	L75 N105 F106 G109 N128 E289	L75-V103 HydrophobicContact CD1-CG1 4.35Å; L75-V103 HydrophobicContact CD1-CG2 4.09Å; L75-V103 HydrophobicContact CD2-CG1 4.38Å; L75-V103 HydrophobicContact CD2-CG2 4.23Å; V103-N105 PolarHBondContact O-N 3.38Å; V103-F106 HydrophobicContact CG2-CB 3.67Å; V103-F106 PolarHBondContact N-O 2.87Å; V103-F106 VanDerWaalsContact N-O 3.15Å; V103-F106 PolarHBondContact O-N 3.37Å; V103-F106 VanDerWaalsContact O-N 3.11Å; V103-G109 WeakPolarHBondContact O-CA 3.36Å; V103-N128 VanDerWaalsContact C-ND2 3.34Å; V103-N128 PolarHBondContact O-ND2 3.46Å; V103-E289 HydrophobicContact CG1-CG 4.12Å
104	D	92.4	Very high	97.3	Very high	57 Å²	57	20.9 Å²	20.9	31%	0.305	12%	0.115	S	C	.	.	T	Hydrogen-bonded Turn	trans	-47.9	-43.2	-172	-65.8	-22.8	0	0	0	113.5	G109 Q113 N128 A129 E130	D104-G109 CarbonylContact O-C 3.58Å; D104-Q113 PolarHBondContact O-NE2 3.5Å; D104-N128 WeakPolarHBondContact OD1-CA 3.48Å; D104-N128 PolarHBondContact OD1-OD1 2.69Å; D104-A129 PolarHBondContact OD1-N 3.43Å; D104-E130 PolarHBondContact OD1-N 3.46Å
105	N	95.3	Very high	97.2	Very high	95 Å²	95	26.3 Å²	26.3	51%	0.508	14%	0.139	S	C	.	.	T	Hydrogen-bonded Turn	trans	-111.8	20.6	-174.8	68.8	-9.4	0	0	0	114.2	V103 R287	V103-N105 PolarHBondContact O-N 3.38Å; N105-R287 PolarHBondContact OD1-NH1 3.26Å
106	F	97.1	Very high	97.2	Very high	12 Å²	12	25.2 Å²	25.2	5%	0.053	13%	0.131	C	C	.	.	B	Isolated β-bridge	trans	-155.9	145.7	178.4	-150.5	-116.8	0	0	0	113	L75 I78 E80 V103 E285 R287	L75-F106 HydrophobicContact CD1-CD1 4.08Å; L75-F106 HydrophobicContact CD2-CB 4.46Å; L75-F106 HydrophobicContact CD2-CD1 4.07Å; L75-F106 HydrophobicContact CG-CD1 4.48Å; I78-F106 HydrophobicContact CD1-CD1 3.64Å; I78-F106 HydrophobicContact CD1-CE1 3.59Å; I78-F106 HydrophobicContact CG1-CE1 4.49Å; E80-F106 HydrophobicContact CB-CZ 4.21Å; E80-F106 WeakPolarHBondContact OE2-CZ 3.34Å; V103-F106 HydrophobicContact CG2-CB 3.67Å; V103-F106 PolarHBondContact N-O 2.87Å; V103-F106 VanDerWaalsContact N-O 3.15Å; V103-F106 PolarHBondContact O-N 3.37Å; V103-F106 VanDerWaalsContact O-N 3.11Å; F106-E285 HydrophobicContact CE2-CB 4.39Å; F106-E285 WeakPolarHBondContact CE2-OE2 3.49Å; F106-E285 HydrophobicContact CZ-CB 4Å; F106-R287 HydrophobicContact CD1-CB 3.94Å; F106-R287 HydrophobicContact CE1-CB 3.72Å; F106-R287 HydrophobicContact CZ-CB 4.23Å
107	G	97.4	Very high	97.2	Very high	3 Å²	3	25.4 Å²	25.4	3%	0.031	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	68	-143.6	-172.7	0	0	0	0	0	111.8	I83 G109 L110	I83-G107 WeakPolarHBondContact CG2-O 3.34Å; G107-G109 PolarHBondContact O-N 3.15Å; G107-G109 VanDerWaalsContact O-N 3.17Å; G107-L110 WeakPolarHBondContact O-CB 3.37Å; G107-L110 WeakPolarHBondContact O-CG 3.34Å; G107-L110 PolarHBondContact O-N 2.82Å
108	L	97.9	Very high	97.2	Very high	7 Å²	7	30.7 Å²	30.7	4%	0.037	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-17.2	-176.4	-69	176.2	0	0	0	114.1	V70 I83 A101 L110 L111 L112 I117 M120	V70-L108 HydrophobicContact CB-CD1 4.12Å; V70-L108 HydrophobicContact CB-CD2 4.42Å; V70-L108 HydrophobicContact CG1-CD1 4.22Å; V70-L108 HydrophobicContact CG1-CD2 4.11Å; V70-L108 HydrophobicContact CG1-CG 4.22Å; V70-L108 HydrophobicContact CG2-CD1 4.44Å; V70-L108 HydrophobicContact CG2-CD2 4.15Å; I83-L108 HydrophobicContact CD1-CD2 4.42Å; I83-L108 HydrophobicContact CG1-CD2 4.44Å; A101-L108 HydrophobicContact CB-CB 4.21Å; A101-L108 CarbonylContact O-C 3.48Å; A101-L108 WeakPolarHBondContact O-CA 3.21Å; A101-L108 WeakPolarHBondContact O-CB 3.22Å; A101-L108 PolarHBondContact O-N 2.83Å; L108-L110 PolarHBondContact O-N 3.32Å; L108-L110 VanDerWaalsContact O-N 3.17Å; L108-L111 HydrophobicContact CD2-CD1 3.79Å; L108-L111 PolarHBondContact O-N 2.64Å; L108-L112 PolarHBondContact O-N 3.34Å; L108-L112 VanDerWaalsContact O-N 3.08Å; L108-I117 HydrophobicContact CB-CD1 4.35Å; L108-I117 HydrophobicContact CD2-CD1 4.38Å; L108-M120 HydrophobicContact CD1-CE 4.15Å
109	G	97.4	Very high	97.2	Very high	1 Å²	1	33.5 Å²	33.5	1%	0.01	17%	0.165	C	C	.	.	H	α-helix	trans	-53.7	-33.5	172.4	0	0	0	0	0	112.7	A101 V103 D104 G107 L111 L112 Q113	A101-G109 PolarHBondContact O-N 3.01Å; V103-G109 WeakPolarHBondContact O-CA 3.36Å; D104-G109 CarbonylContact O-C 3.58Å; G107-G109 PolarHBondContact O-N 3.15Å; G107-G109 VanDerWaalsContact O-N 3.17Å; G109-L111 VanDerWaalsContact C-N 3.32Å; G109-L111 PolarHBondContact O-N 3.19Å; G109-L112 WeakPolarHBondContact O-CB 3.13Å; G109-L112 PolarHBondContact O-N 2.88Å; G109-Q113 WeakPolarHBondContact O-CG 3.46Å; G109-Q113 PolarHBondContact O-N 3.31Å
110	L	98.1	Very high	97.2	Very high	25 Å²	25	33.5 Å²	33.5	13%	0.131	17%	0.165	C	C	.	.	H	α-helix	trans	-60.9	-40.2	174.6	-61.1	174.2	0	0	0	112.4	N84 L87 G107 L108 T114	N84-L110 WeakPolarHBondContact OD1-CD1 3.37Å; L87-L110 HydrophobicContact CD2-CB 4.33Å; G107-L110 WeakPolarHBondContact O-CB 3.37Å; G107-L110 WeakPolarHBondContact O-CG 3.34Å; G107-L110 PolarHBondContact O-N 2.82Å; L108-L110 PolarHBondContact O-N 3.32Å; L108-L110 VanDerWaalsContact O-N 3.17Å; L110-T114 PolarHBondContact O-N 2.68Å; L110-T114 PolarHBondContact O-OG1 2.96Å
111	L	98.5	Very high	97.4	Very high	2 Å²	2	33.7 Å²	33.7	1%	0.01	17%	0.166	C	C	.	.	H	α-helix	trans	-77.6	-25.6	178.7	-57.1	-175	0	0	0	112.3	I83 L86 L87 L108 G109 T114 K115 Q116 I117	I83-L111 HydrophobicContact CG2-CD1 4.5Å; I83-L111 HydrophobicContact CG2-CG 4.33Å; L86-L111 HydrophobicContact CD2-CD1 3.88Å; L87-L111 HydrophobicContact CB-CD2 3.78Å; L87-L111 HydrophobicContact CD1-CD2 4.05Å; L108-L111 HydrophobicContact CD2-CD1 3.79Å; L108-L111 PolarHBondContact O-N 2.64Å; G109-L111 VanDerWaalsContact C-N 3.32Å; G109-L111 PolarHBondContact O-N 3.19Å; L111-T114 PolarHBondContact O-OG1 3.16Å; L111-K115 PolarHBondContact O-N 3.48Å; L111-Q116 HydrophobicContact CB-CB 4.22Å; L111-Q116 PolarHBondContact O-N 2.81Å; L111-I117 HydrophobicContact CB-CD1 3.7Å; L111-I117 HydrophobicContact CB-CG1 3.89Å; L111-I117 HydrophobicContact CD1-CD1 4.48Å
112	L	97.9	Very high	97.5	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-67.7	-46.3	169.6	-67.5	175.8	0	0	0	110.5	A101 L108 G109 T114 K115 I117 F131 Q134 L140	A101-L112 HydrophobicContact CB-CD1 3.76Å; L108-L112 PolarHBondContact O-N 3.34Å; L108-L112 VanDerWaalsContact O-N 3.08Å; G109-L112 WeakPolarHBondContact O-CB 3.13Å; G109-L112 PolarHBondContact O-N 2.88Å; L112-T114 VanDerWaalsContact C-N 3.27Å; L112-T114 PolarHBondContact O-N 3.25Å; L112-K115 WeakPolarHBondContact O-CA 3.41Å; L112-K115 PolarHBondContact O-N 2.83Å; L112-I117 HydrophobicContact CD2-CB 4.06Å; L112-I117 HydrophobicContact CD2-CD1 3.98Å; L112-I117 HydrophobicContact CD2-CG2 4.36Å; L112-I117 HydrophobicContact CG-CD1 4.16Å; L112-F131 HydrophobicContact CD1-CB 3.61Å; L112-F131 HydrophobicContact CD1-CD1 4.36Å; L112-F131 HydrophobicContact CD1-CD2 4.33Å; L112-F131 HydrophobicContact CD1-CG 3.86Å; L112-Q134 PolarHBondContact O-NE2 3.25Å; L112-L140 HydrophobicContact CD2-CD1 4.03Å; L112-L140 HydrophobicContact CD2-CD2 3.86Å
113	Q	97.6	Very high	97.6	Very high	104 Å²	104	33.3 Å²	33.3	49%	0.486	16%	0.162	S	C	.	.	H	α-helix	trans	-56.6	-40.2	177.8	-72.5	-176.9	-5.7	0	0	112.6	D104 G109 K115	D104-Q113 PolarHBondContact O-NE2 3.5Å; G109-Q113 WeakPolarHBondContact O-CG 3.46Å; G109-Q113 PolarHBondContact O-N 3.31Å; Q113-K115 VanDerWaalsContact C-N 3.29Å; Q113-K115 PolarHBondContact O-N 2.78Å
114	T	97.9	Very high	97.4	Very high	56 Å²	56	35 Å²	35	34%	0.344	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.4	3.5	177.1	60.8	0	0	0	0	113.6	L87 K92 L110 L111 L112 Q116	L87-T114 HydrophobicContact CD1-CG2 3.48Å; L87-T114 VanDerWaalsContact CD1-CG2 3.48Å; K92-T114 PolarHBondContact NZ-O 3.44Å; L110-T114 PolarHBondContact O-N 2.68Å; L110-T114 PolarHBondContact O-OG1 2.96Å; L111-T114 PolarHBondContact O-OG1 3.16Å; L112-T114 VanDerWaalsContact C-N 3.27Å; L112-T114 PolarHBondContact O-N 3.25Å; T114-Q116 PolarHBondContact O-N 3.18Å; T114-Q116 WeakPolarHBondContact OG1-CG 3.31Å; T114-Q116 PolarHBondContact OG1-OE1 3.31Å
115	K	98.2	Very high	97.2	Very high	117 Å²	117	32.2 Å²	32.2	51%	0.509	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.5	37.6	-179.4	-55.3	-175.4	173	-165.8	0	112.9	L111 L112 Q113 E139	L111-K115 PolarHBondContact O-N 3.48Å; L112-K115 WeakPolarHBondContact O-CA 3.41Å; L112-K115 PolarHBondContact O-N 2.83Å; Q113-K115 VanDerWaalsContact C-N 3.29Å; Q113-K115 PolarHBondContact O-N 2.78Å; K115-E139 VanDerWaalsContact CE-OE2 3.29Å; K115-E139 WeakPolarHBondContact CE-OE2 3.36Å; K115-E139 IonicContact NZ-OE2 3.84Å; K115-E139 PolarHBondContact NZ-OE2 2.98Å
116	Q	98.7	Very high	96.3	Very high	2 Å²	2	28 Å²	28	1%	0.009	13%	0.13	C	C	.	.			trans	-77.2	-29.2	174.4	-75	-176.4	-126.7	0	0	112.1	L86 L87 V91 K92 G93 I94 L111 T114	L86-Q116 PolarHBondContact O-NE2 3.47Å; L87-Q116 PolarHBondContact O-OE1 2.99Å; V91-Q116 WeakPolarHBondContact O-CB 3.47Å; V91-Q116 WeakPolarHBondContact O-CG 3.38Å; V91-Q116 PolarHBondContact O-NE2 3.27Å; K92-Q116 CarbonylContact C-O 3.51Å; K92-Q116 HydrophobicContact CD-CB 4.36Å; K92-Q116 HydrophobicContact CD-CG 3.84Å; K92-Q116 VanDerWaalsContact NZ-CG 3.31Å; G93-Q116 PolarHBondContact N-O 3.5Å; I94-Q116 HydrophobicContact CD1-CB 4.33Å; I94-Q116 PolarHBondContact N-O 3.08Å; L111-Q116 HydrophobicContact CB-CB 4.22Å; L111-Q116 PolarHBondContact O-N 2.81Å; T114-Q116 PolarHBondContact O-N 3.18Å; T114-Q116 WeakPolarHBondContact OG1-CG 3.31Å; T114-Q116 PolarHBondContact OG1-OE1 3.31Å
117	I	98.8	Very high	95.6	Very high	7 Å²	7	32.2 Å²	32.2	4%	0.036	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	128	179.4	-58.9	170	0	0	0	109.7	I94 A96 L108 L111 L112 R119 M120 L140	I94-I117 HydrophobicContact CB-CG1 4.48Å; A96-I117 HydrophobicContact CB-CD1 4.19Å; A96-I117 HydrophobicContact CB-CG1 4.37Å; A96-I117 HydrophobicContact CB-CG2 4.15Å; L108-I117 HydrophobicContact CB-CD1 4.35Å; L108-I117 HydrophobicContact CD2-CD1 4.38Å; L111-I117 HydrophobicContact CB-CD1 3.7Å; L111-I117 HydrophobicContact CB-CG1 3.89Å; L111-I117 HydrophobicContact CD1-CD1 4.48Å; L112-I117 HydrophobicContact CD2-CB 4.06Å; L112-I117 HydrophobicContact CD2-CD1 3.98Å; L112-I117 HydrophobicContact CD2-CG2 4.36Å; L112-I117 HydrophobicContact CG-CD1 4.16Å; I117-R119 VanDerWaalsContact CG2-O 3.31Å; I117-R119 WeakPolarHBondContact CG2-O 3.36Å; I117-M120 HydrophobicContact CD1-SD 3.9Å; I117-M120 HydrophobicContact CG2-CG 4Å; I117-M120 HydrophobicContact CG2-SD 3.76Å; I117-L140 HydrophobicContact CB-CD1 4.47Å; I117-L140 HydrophobicContact CG2-CD1 3.9Å
118	K	98.7	Very high	95.3	Very high	111 Å²	111	32.1 Å²	32.1	48%	0.483	15%	0.149	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	-39.1	171.1	173.1	-171.8	170.1	-169.1	0	111.4	I94 E141	I94-K118 PolarHBondContact O-N 3.07Å; K118-E141 WeakPolarHBondContact CE-OE1 3.34Å; K118-E141 IonicContact NZ-OE1 3.89Å; K118-E141 WeakPolarHBondContact O-CB 3.46Å; K118-E141 PolarHBondContact O-N 3.18Å
119	R	98.8	Very high	95	Very high	63 Å²	63	34.7 Å²	34.7	24%	0.238	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	135	-176.2	176.5	172.3	-88.8	172.8	-7.2	111.4	I94 T95 A96 I117 I121 E141	I94-R119 PolarHBondContact O-N 3.26Å; I94-R119 VanDerWaalsContact O-N 3.12Å; T95-R119 CarbonylContact C-O 3.43Å; T95-R119 WeakPolarHBondContact CA-O 3.23Å; T95-R119 HydrophobicContact CG2-CB 4.13Å; T95-R119 HydrophobicContact CG2-CG 4.02Å; A96-R119 PolarHBondContact N-O 2.98Å; I117-R119 VanDerWaalsContact CG2-O 3.31Å; I117-R119 WeakPolarHBondContact CG2-O 3.36Å; R119-I121 HydrophobicContact CG-CG1 4.45Å; R119-E141 CarbonylContact C-O 3.51Å; R119-E141 VanDerWaalsContact CA-O 3.26Å; R119-E141 WeakPolarHBondContact CA-O 3.43Å; R119-E141 HydrophobicContact CB-CB 3.89Å; R119-E141 HydrophobicContact CG-CB 4.01Å; R119-E141 IonicContact CZ-OE2 3.54Å; R119-E141 IonicContact NE-OE2 3.84Å; R119-E141 PolarHBondContact NE-OE2 3.2Å; R119-E141 IonicContact NH1-OE2 2.73Å; R119-E141 IonicContact NH2-OE2 2.81Å; R119-E141 PolarHBondContact NH2-OE2 3Å; R119-E141 VanDerWaalsContact NH2-OE2 3.07Å
120	M	98.6	Very high	94.9	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	132	167	-68.9	-67.2	-61	0	0	109.6	A96 A101 L108 I117 S122 F131 L140 E141 V142 E143	A96-M120 HydrophobicContact CB-SD 3.66Å; A96-M120 CarbonylContact O-C 3.57Å; A96-M120 WeakPolarHBondContact O-CA 3.49Å; A101-M120 HydrophobicContact CB-CE 3.93Å; L108-M120 HydrophobicContact CD1-CE 4.15Å; I117-M120 HydrophobicContact CD1-SD 3.9Å; I117-M120 HydrophobicContact CG2-CG 4Å; I117-M120 HydrophobicContact CG2-SD 3.76Å; M120-S122 VanDerWaalsContact CE-OG 3.25Å; M120-S122 WeakPolarHBondContact CE-OG 3.28Å; M120-F131 HydrophobicContact CB-CE2 4.05Å; M120-F131 HydrophobicContact CB-CZ 3.78Å; M120-F131 HydrophobicContact CE-CE1 4.24Å; M120-F131 HydrophobicContact CE-CZ 4.26Å; M120-F131 HydrophobicContact CG-CE2 3.86Å; M120-F131 HydrophobicContact CG-CZ 3.79Å; M120-L140 HydrophobicContact CG-CD1 4.23Å; M120-L140 HydrophobicContact CG-CD2 3.99Å; M120-L140 HydrophobicContact CG-CG 4.47Å; M120-E141 PolarHBondContact N-O 3.35Å; M120-V142 CarbonylContact O-C 3.56Å; M120-V142 WeakPolarHBondContact O-CA 3.41Å; M120-E143 PolarHBondContact O-N 3.14Å
121	I	98.7	Very high	94.8	Very high	15 Å²	15	35.3 Å²	35.3	8%	0.077	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	107.3	162.7	-49.3	-175.1	0	0	0	106.3	T95 A96 V97 S98 R119 E143 L150 I212	T95-I121 HydrophobicContact CG2-CD1 4.25Å; T95-I121 HydrophobicContact CG2-CG1 4.36Å; A96-I121 PolarHBondContact O-N 2.93Å; V97-I121 HydrophobicContact CG1-CB 4.3Å; V97-I121 HydrophobicContact CG2-CB 4.24Å; V97-I121 HydrophobicContact CG2-CD1 4.02Å; V97-I121 HydrophobicContact CG2-CG1 4.31Å; S98-I121 PolarHBondContact N-O 3.16Å; R119-I121 HydrophobicContact CG-CG1 4.45Å; I121-E143 HydrophobicContact CG1-CB 4.25Å; I121-E143 HydrophobicContact CG2-CB 4.28Å; I121-E143 HydrophobicContact CG2-CG 4.39Å; I121-L150 HydrophobicContact CG2-CD1 4.1Å; I121-I212 HydrophobicContact CG2-CD1 4.28Å
122	S	97.9	Very high	94.6	Very high	0 Å²	0	37 Å²	37	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	157.5	-167.6	-65.1	0	0	0	0	112.3	S98 M120 E143 L144 T145	S98-S122 WeakPolarHBondContact O-CA 3.49Å; S98-S122 VanDerWaalsContact O-CB 3.23Å; S98-S122 WeakPolarHBondContact O-CB 3.41Å; S98-S122 PolarHBondContact O-OG 3.3Å; M120-S122 VanDerWaalsContact CE-OG 3.25Å; M120-S122 WeakPolarHBondContact CE-OG 3.28Å; S122-E143 PolarHBondContact N-O 2.97Å; S122-E143 VanDerWaalsContact N-O 3.1Å; S122-L144 CarbonylContact O-C 3.59Å; S122-L144 VanDerWaalsContact O-CA 3.29Å; S122-L144 WeakPolarHBondContact O-CA 3.4Å; S122-T145 PolarHBondContact O-N 2.73Å
123	S	97.1	Very high	94.4	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	20%	0.199	C	C	.	.	S	Bend	trans	-91.3	-28.7	175.8	74	0	0	0	0	113	N99 T145 G431 M432 G433	N99-S123 PolarHBondContact O-N 3.35Å; N99-S123 PolarHBondContact O-OG 3.09Å; N99-S123 PolarHBondContact OD1-OG 2.67Å; S123-T145 WeakPolarHBondContact CA-O 3.45Å; S123-T145 WeakPolarHBondContact CB-O 3.2Å; S123-G431 CarbonylContact O-C 3.5Å; S123-M432 PolarHBondContact O-N 3.01Å; S123-G433 PolarHBondContact O-N 2.92Å
124	Y	92.4	Very high	94.3	Very high	57 Å²	57	37 Å²	37	22%	0.224	18%	0.176	C	C	.	.			trans	-152.6	124.1	-170.9	-173.5	-105.9	0	0	0	111.2	N99 N100 K430	N99-Y124 PolarHBondContact O-N 2.67Å; N100-Y124 WeakPolarHBondContact ND2-CB 3.47Å; N100-Y124 PolarHBondContact ND2-O 3.01Å; Y124-K430 CarbonylContact C-O 3.55Å; Y124-K430 WeakPolarHBondContact CA-O 3.28Å; Y124-K430 HydrophobicContact CD2-CB 4.34Å; Y124-K430 WeakPolarHBondContact CD2-O 3.42Å; Y124-K430 HydrophobicContact CE2-CB 3.68Å
125	V	87.8	Confident	94.2	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	16%	0.16	C	C	.	.			trans	-69.3	-44.1	178.1	177.7	0	0	0	0	110.5	F131 E132 L144 K430	V125-F131 HydrophobicContact CB-CD1 4.18Å; V125-F131 HydrophobicContact CB-CE1 4.21Å; V125-F131 HydrophobicContact CG1-CB 4.04Å; V125-F131 HydrophobicContact CG1-CD1 3.67Å; V125-F131 HydrophobicContact CG1-CD2 4.25Å; V125-F131 HydrophobicContact CG1-CE1 4.17Å; V125-F131 HydrophobicContact CG1-CG 3.73Å; V125-F131 HydrophobicContact CG2-CD1 4.5Å; V125-F131 HydrophobicContact CG2-CE1 4.18Å; V125-F131 HydrophobicContact CG2-CE2 4.43Å; V125-F131 HydrophobicContact CG2-CZ 4.13Å; V125-E132 HydrophobicContact CG1-CB 4.13Å; V125-L144 HydrophobicContact CG2-CD2 4.23Å; V125-K430 PolarHBondContact N-O 2.92Å
126	G	76.8	Confident	93.9	Very high	6 Å²	6	31.9 Å²	31.9	6%	0.062	15%	0.152	C	C	.	.			trans	71.8	-146	174.3	0	0	0	0	0	116.7	N128 K430	G126-N128 PolarHBondContact O-N 3.48Å; G126-K430 PolarHBondContact O-NZ 3.07Å
127	E	81.8	Confident	93.7	Very high	101 Å²	101	33.7 Å²	33.7	47%	0.472	17%	0.166	S	C	.	.	S	Bend	trans	-89.1	42.7	-176.3	-53.8	-68.8	-179.5	0	0	111.1	K290	E127-K290 IonicContact OE1-NZ 3.77Å; E127-K290 PolarHBondContact OE1-NZ 2.68Å; E127-K290 VanDerWaalsContact OE1-NZ 3.16Å
128	N	91.1	Very high	93.5	Very high	0 Å²	0	34 Å²	34	0%	0	17%	0.17	C	C	.	.			trans	-120.1	98.7	178	-169.1	-46.7	0	0	0	108.6	V103 D104 G126 E130 F131 E132	V103-N128 VanDerWaalsContact C-ND2 3.34Å; V103-N128 PolarHBondContact O-ND2 3.46Å; D104-N128 WeakPolarHBondContact OD1-CA 3.48Å; D104-N128 PolarHBondContact OD1-OD1 2.69Å; G126-N128 PolarHBondContact O-N 3.48Å; N128-E130 VanDerWaalsContact C-N 3.3Å; N128-E130 PolarHBondContact OD1-N 2.93Å; N128-F131 HydrophobicContact CB-CB 3.8Å; N128-F131 PolarHBondContact O-N 3.04Å; N128-F131 WeakPolarHBondContact OD1-CB 3.45Å; N128-F131 PolarHBondContact OD1-N 2.89Å; N128-E132 PolarHBondContact O-N 2.84Å; N128-E132 VanDerWaalsContact O-N 3.14Å
129	A	93.3	Very high	93.4	Very high	61 Å²	61	32.4 Å²	32.4	50%	0.504	16%	0.164	S	C	.	.	H	α-helix	trans	-68.5	-33.2	-176.1	0	0	0	0	0	111.1	D104 E132 R133	D104-A129 PolarHBondContact OD1-N 3.43Å; A129-E132 PolarHBondContact O-N 2.96Å; A129-R133 WeakPolarHBondContact O-CB 3.33Å; A129-R133 PolarHBondContact O-N 3.18Å
130	E	95.4	Very high	93.4	Very high	40 Å²	40	29.4 Å²	29.4	19%	0.187	15%	0.153	C	C	.	.	H	α-helix	trans	-69.4	-37.7	177.7	-177.7	57.2	-165	0	0	111.7	D104 N128 R133 Q134	D104-E130 PolarHBondContact OD1-N 3.46Å; N128-E130 VanDerWaalsContact C-N 3.3Å; N128-E130 PolarHBondContact OD1-N 2.93Å; E130-R133 PolarHBondContact O-N 2.9Å; E130-R133 IonicContact OE1-CZ 3.09Å; E130-R133 IonicContact OE1-NE 2.95Å; E130-R133 PolarHBondContact OE1-NE 3.23Å; E130-R133 IonicContact OE1-NH2 3.95Å; E130-R133 PolarHBondContact OE1-NH2 3.42Å; E130-R133 IonicContact OE2-CZ 3.57Å; E130-R133 IonicContact OE2-NE 2.83Å; E130-R133 PolarHBondContact OE2-NE 2.84Å; E130-R133 IonicContact OE2-NH2 3.6Å; E130-Q134 HydrophobicContact CG-CG 4.44Å; E130-Q134 WeakPolarHBondContact O-CB 3.13Å; E130-Q134 WeakPolarHBondContact O-CG 3.41Å; E130-Q134 PolarHBondContact O-N 2.79Å; E130-Q134 VanDerWaalsContact OE1-CG 3.3Å; E130-Q134 WeakPolarHBondContact OE1-CG 3.37Å; E130-Q134 PolarHBondContact OE1-NE2 3.1Å
131	F	95.3	Very high	93.3	Very high	0 Å²	0	30 Å²	30	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-60.4	-53.1	172.6	-171.1	-179.8	0	0	0	110.6	A101 L112 M120 V125 N128 R133 Q134 Y135 L140 V142	A101-F131 HydrophobicContact CB-CD1 3.38Å; A101-F131 HydrophobicContact CB-CE1 3.7Å; A101-F131 HydrophobicContact CB-CG 4.21Å; L112-F131 HydrophobicContact CD1-CB 3.61Å; L112-F131 HydrophobicContact CD1-CD1 4.36Å; L112-F131 HydrophobicContact CD1-CD2 4.33Å; L112-F131 HydrophobicContact CD1-CG 3.86Å; M120-F131 HydrophobicContact CB-CE2 4.05Å; M120-F131 HydrophobicContact CB-CZ 3.78Å; M120-F131 HydrophobicContact CE-CE1 4.24Å; M120-F131 HydrophobicContact CE-CZ 4.26Å; M120-F131 HydrophobicContact CG-CE2 3.86Å; M120-F131 HydrophobicContact CG-CZ 3.79Å; V125-F131 HydrophobicContact CB-CD1 4.18Å; V125-F131 HydrophobicContact CB-CE1 4.21Å; V125-F131 HydrophobicContact CG1-CB 4.04Å; V125-F131 HydrophobicContact CG1-CD1 3.67Å; V125-F131 HydrophobicContact CG1-CD2 4.25Å; V125-F131 HydrophobicContact CG1-CE1 4.17Å; V125-F131 HydrophobicContact CG1-CG 3.73Å; V125-F131 HydrophobicContact CG2-CD1 4.5Å; V125-F131 HydrophobicContact CG2-CE1 4.18Å; V125-F131 HydrophobicContact CG2-CE2 4.43Å; V125-F131 HydrophobicContact CG2-CZ 4.13Å; N128-F131 HydrophobicContact CB-CB 3.8Å; N128-F131 PolarHBondContact O-N 3.04Å; N128-F131 WeakPolarHBondContact OD1-CB 3.45Å; N128-F131 PolarHBondContact OD1-N 2.89Å; F131-R133 VanDerWaalsContact C-N 3.31Å; F131-R133 PolarHBondContact O-N 3.44Å; F131-Q134 PolarHBondContact O-N 2.92Å; F131-Y135 WeakPolarHBondContact O-CB 3.39Å; F131-Y135 PolarHBondContact O-N 2.87Å; F131-L140 HydrophobicContact CD2-CD2 3.37Å; F131-L140 HydrophobicContact CE2-CD2 3.43Å; F131-L140 VanDerWaalsContact CE2-CD2 3.43Å; F131-V142 HydrophobicContact CD2-CG2 4.49Å; F131-V142 HydrophobicContact CE2-CG1 4.08Å; F131-V142 HydrophobicContact CE2-CG2 3.6Å; F131-V142 HydrophobicContact CZ-CG1 4.11Å; F131-V142 HydrophobicContact CZ-CG2 4.4Å
132	E	93.7	Very high	93.3	Very high	36 Å²	36	29.3 Å²	29.3	17%	0.168	15%	0.152	C	C	.	.	H	α-helix	trans	-59.3	-42.9	178.1	-175.6	164.8	-160.1	0	0	111.5	V125 N128 A129 Y135 L136 K430	V125-E132 HydrophobicContact CG1-CB 4.13Å; N128-E132 PolarHBondContact O-N 2.84Å; N128-E132 VanDerWaalsContact O-N 3.14Å; A129-E132 PolarHBondContact O-N 2.96Å; E132-Y135 PolarHBondContact O-N 3Å; E132-L136 HydrophobicContact CG-CD1 3.85Å; E132-L136 HydrophobicContact CG-CG 4.46Å; E132-L136 WeakPolarHBondContact O-CB 3.47Å; E132-L136 VanDerWaalsContact O-CG 3.31Å; E132-L136 WeakPolarHBondContact O-CG 3.22Å; E132-L136 PolarHBondContact O-N 2.67Å; E132-K430 IonicContact OE2-NZ 3.85Å; E132-K430 PolarHBondContact OE2-NZ 3.35Å
133	R	94.6	Very high	93.3	Very high	102 Å²	102	30.6 Å²	30.6	39%	0.385	16%	0.159	S	C	.	.	H	α-helix	trans	-61.8	-51.3	178.2	-170.1	-159.4	70.3	70.4	0.9	112.2	A129 E130 F131 Y135 L136 S137 E139	A129-R133 WeakPolarHBondContact O-CB 3.33Å; A129-R133 PolarHBondContact O-N 3.18Å; E130-R133 PolarHBondContact O-N 2.9Å; E130-R133 IonicContact OE1-CZ 3.09Å; E130-R133 IonicContact OE1-NE 2.95Å; E130-R133 PolarHBondContact OE1-NE 3.23Å; E130-R133 IonicContact OE1-NH2 3.95Å; E130-R133 PolarHBondContact OE1-NH2 3.42Å; E130-R133 IonicContact OE2-CZ 3.57Å; E130-R133 IonicContact OE2-NE 2.83Å; E130-R133 PolarHBondContact OE2-NE 2.84Å; E130-R133 IonicContact OE2-NH2 3.6Å; F131-R133 VanDerWaalsContact C-N 3.31Å; F131-R133 PolarHBondContact O-N 3.44Å; R133-Y135 VanDerWaalsContact C-N 3.3Å; R133-Y135 PolarHBondContact O-N 3.07Å; R133-L136 PolarHBondContact O-N 3.07Å; R133-S137 VanDerWaalsContact O-CB 3.3Å; R133-S137 WeakPolarHBondContact O-CB 3.31Å; R133-S137 PolarHBondContact O-N 2.91Å; R133-S137 PolarHBondContact O-OG 2.86Å; R133-S137 VanDerWaalsContact O-OG 3.14Å; R133-E139 IonicContact CZ-OE1 3.72Å; R133-E139 IonicContact NH1-OE1 3.91Å; R133-E139 PolarHBondContact NH1-OE1 3.25Å; R133-E139 IonicContact NH1-OE2 2.64Å; R133-E139 IonicContact NH2-OE1 2.87Å; R133-E139 PolarHBondContact NH2-OE1 3.47Å; R133-E139 IonicContact NH2-OE2 3.65Å; R133-E139 PolarHBondContact NH2-OE2 3.03Å
134	Q	95.9	Very high	93.3	Very high	2 Å²	2	31 Å²	31	1%	0.009	16%	0.161	C	C	.	.	H	α-helix	trans	-64.8	-35.6	-178.7	-73.8	-172.5	22.7	0	0	112.4	L112 E130 F131 S137 G138 E139 L140	L112-Q134 PolarHBondContact O-NE2 3.25Å; E130-Q134 HydrophobicContact CG-CG 4.44Å; E130-Q134 WeakPolarHBondContact O-CB 3.13Å; E130-Q134 WeakPolarHBondContact O-CG 3.41Å; E130-Q134 PolarHBondContact O-N 2.79Å; E130-Q134 VanDerWaalsContact OE1-CG 3.3Å; E130-Q134 WeakPolarHBondContact OE1-CG 3.37Å; E130-Q134 PolarHBondContact OE1-NE2 3.1Å; F131-Q134 PolarHBondContact O-N 2.92Å; Q134-S137 PolarHBondContact O-OG 2.72Å; Q134-G138 PolarHBondContact O-N 3.4Å; Q134-E139 HydrophobicContact CB-CB 4.09Å; Q134-E139 HydrophobicContact CG-CB 4.27Å; Q134-E139 PolarHBondContact O-N 2.68Å; Q134-L140 HydrophobicContact CB-CB 3.75Å; Q134-L140 HydrophobicContact CB-CD2 4.42Å; Q134-L140 PolarHBondContact O-N 2.7Å
135	Y	94.6	Very high	93.6	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-65	-55.2	175.5	173.6	-129.4	0	0	0	110.9	F131 E132 R133 S137 G138 V142 P180 Y183 V429	F131-Y135 WeakPolarHBondContact O-CB 3.39Å; F131-Y135 PolarHBondContact O-N 2.87Å; E132-Y135 PolarHBondContact O-N 3Å; R133-Y135 VanDerWaalsContact C-N 3.3Å; R133-Y135 PolarHBondContact O-N 3.07Å; Y135-S137 VanDerWaalsContact C-N 3.26Å; Y135-S137 PolarHBondContact O-N 2.93Å; Y135-G138 PolarHBondContact O-N 3.38Å; Y135-V142 HydrophobicContact CD2-CB 3.57Å; Y135-V142 HydrophobicContact CD2-CG2 3.29Å; Y135-V142 HydrophobicContact CE2-CB 3.71Å; Y135-V142 HydrophobicContact CE2-CG2 3.99Å; Y135-V142 HydrophobicContact CG-CB 4.13Å; Y135-V142 HydrophobicContact CG-CG2 3.61Å; Y135-P180 PolarHBondContact OH-O 2.92Å; Y135-Y183 HydrophobicContact CD1-CE2 4.28Å; Y135-Y183 HydrophobicContact CD2-CD2 4.26Å; Y135-Y183 HydrophobicContact CD2-CE2 4.2Å; Y135-Y183 AromaticContact CE1-CE2 3.69Å; Y135-Y183 HydrophobicContact CE1-CE2 3.69Å; Y135-Y183 AromaticContact CE2-CD2 3.97Å; Y135-Y183 HydrophobicContact CE2-CD2 3.97Å; Y135-Y183 AromaticContact CE2-CE2 3.63Å; Y135-Y183 HydrophobicContact CE2-CE2 3.63Å; Y135-Y183 AromaticContact CZ-CE2 3.35Å; Y135-Y183 WeakPolarHBondContact O-CD2 3.47Å; Y135-Y183 WeakPolarHBondContact OH-CE2 3.39Å; Y135-V429 HydrophobicContact CD1-CG1 4.43Å; Y135-V429 HydrophobicContact CE1-CB 4.01Å; Y135-V429 HydrophobicContact CE1-CG1 3.65Å; Y135-V429 HydrophobicContact CE1-CG2 4.29Å
136	L	92.1	Very high	94.1	Very high	66 Å²	66	28.5 Å²	28.5	35%	0.346	15%	0.151	S	C	.	.	H	α-helix	trans	-66	-26.1	-178	-65.4	175.9	0	0	0	113.1	E132 R133 G138 Y183 V429	E132-L136 HydrophobicContact CG-CD1 3.85Å; E132-L136 HydrophobicContact CG-CG 4.46Å; E132-L136 WeakPolarHBondContact O-CB 3.47Å; E132-L136 VanDerWaalsContact O-CG 3.31Å; E132-L136 WeakPolarHBondContact O-CG 3.22Å; E132-L136 PolarHBondContact O-N 2.67Å; R133-L136 PolarHBondContact O-N 3.07Å; L136-G138 VanDerWaalsContact C-N 3.34Å; L136-Y183 HydrophobicContact CD2-CE2 4.13Å; L136-V429 HydrophobicContact CD2-CG2 4.32Å
137	S	94	Very high	95.1	Very high	41 Å²	41	28.3 Å²	28.3	29%	0.287	15%	0.148	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.6	-9.5	175	73.4	0	0	0	0	114.2	R133 Q134 Y135 E139	R133-S137 VanDerWaalsContact O-CB 3.3Å; R133-S137 WeakPolarHBondContact O-CB 3.31Å; R133-S137 PolarHBondContact O-N 2.91Å; R133-S137 PolarHBondContact O-OG 2.86Å; R133-S137 VanDerWaalsContact O-OG 3.14Å; Q134-S137 PolarHBondContact O-OG 2.72Å; Y135-S137 VanDerWaalsContact C-N 3.26Å; Y135-S137 PolarHBondContact O-N 2.93Å; S137-E139 WeakPolarHBondContact OG-CG 3.39Å; S137-E139 PolarHBondContact OG-OE1 3.31Å
138	G	95	Very high	95.9	Very high	13 Å²	13	23.5 Å²	23.5	13%	0.134	13%	0.126	C	C	.	.	T	Hydrogen-bonded Turn	trans	81.1	10.3	-176.5	0	0	0	0	0	115	Q134 Y135 L136 K182 Y183	Q134-G138 PolarHBondContact O-N 3.4Å; Y135-G138 PolarHBondContact O-N 3.38Å; L136-G138 VanDerWaalsContact C-N 3.34Å; G138-K182 WeakPolarHBondContact O-CE 3.18Å; G138-Y183 WeakPolarHBondContact CA-O 3.42Å
139	E	96.6	Very high	96.3	Very high	77 Å²	77	23.5 Å²	23.5	36%	0.36	13%	0.126	S	C	.	.	S	Bend	trans	-74.3	-29.3	175.4	-72.8	169.1	-116.7	0	0	112.3	K115 R133 Q134 S137	K115-E139 VanDerWaalsContact CE-OE2 3.29Å; K115-E139 WeakPolarHBondContact CE-OE2 3.36Å; K115-E139 IonicContact NZ-OE2 3.84Å; K115-E139 PolarHBondContact NZ-OE2 2.98Å; R133-E139 IonicContact CZ-OE1 3.72Å; R133-E139 IonicContact NH1-OE1 3.91Å; R133-E139 PolarHBondContact NH1-OE1 3.25Å; R133-E139 IonicContact NH1-OE2 2.64Å; R133-E139 IonicContact NH2-OE1 2.87Å; R133-E139 PolarHBondContact NH2-OE1 3.47Å; R133-E139 IonicContact NH2-OE2 3.65Å; R133-E139 PolarHBondContact NH2-OE2 3.03Å; Q134-E139 HydrophobicContact CB-CB 4.09Å; Q134-E139 HydrophobicContact CG-CB 4.27Å; Q134-E139 PolarHBondContact O-N 2.68Å; S137-E139 WeakPolarHBondContact OG-CG 3.39Å; S137-E139 PolarHBondContact OG-OE1 3.31Å
140	L	97.8	Very high	96.6	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	10%	0.102	C	C	.	.	S	Bend	trans	-122.8	136.8	-174.5	-177.9	72.7	0	0	0	111.7	L112 I117 M120 F131 Q134 V142	L112-L140 HydrophobicContact CD2-CD1 4.03Å; L112-L140 HydrophobicContact CD2-CD2 3.86Å; I117-L140 HydrophobicContact CB-CD1 4.47Å; I117-L140 HydrophobicContact CG2-CD1 3.9Å; M120-L140 HydrophobicContact CG-CD1 4.23Å; M120-L140 HydrophobicContact CG-CD2 3.99Å; M120-L140 HydrophobicContact CG-CG 4.47Å; F131-L140 HydrophobicContact CD2-CD2 3.37Å; F131-L140 HydrophobicContact CE2-CD2 3.43Å; F131-L140 VanDerWaalsContact CE2-CD2 3.43Å; Q134-L140 HydrophobicContact CB-CB 3.75Å; Q134-L140 HydrophobicContact CB-CD2 4.42Å; Q134-L140 PolarHBondContact O-N 2.7Å; L140-V142 HydrophobicContact CD2-CG2 3.84Å; L140-V142 HydrophobicContact CG-CG2 3.97Å
141	E	98.4	Very high	96.7	Very high	14 Å²	14	18.7 Å²	18.7	7%	0.065	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	132.6	168.8	-65.7	169	-155.3	0	0	110.1	K118 R119 M120 I181 K182 I191	K118-E141 WeakPolarHBondContact CE-OE1 3.34Å; K118-E141 IonicContact NZ-OE1 3.89Å; K118-E141 WeakPolarHBondContact O-CB 3.46Å; K118-E141 PolarHBondContact O-N 3.18Å; R119-E141 CarbonylContact C-O 3.51Å; R119-E141 VanDerWaalsContact CA-O 3.26Å; R119-E141 WeakPolarHBondContact CA-O 3.43Å; R119-E141 HydrophobicContact CB-CB 3.89Å; R119-E141 HydrophobicContact CG-CB 4.01Å; R119-E141 IonicContact CZ-OE2 3.54Å; R119-E141 IonicContact NE-OE2 3.84Å; R119-E141 PolarHBondContact NE-OE2 3.2Å; R119-E141 IonicContact NH1-OE2 2.73Å; R119-E141 IonicContact NH2-OE2 2.81Å; R119-E141 PolarHBondContact NH2-OE2 3Å; R119-E141 VanDerWaalsContact NH2-OE2 3.07Å; M120-E141 PolarHBondContact N-O 3.35Å; E141-I181 CarbonylContact C-O 3.5Å; E141-I181 WeakPolarHBondContact CA-O 3.5Å; E141-I181 HydrophobicContact CB-CG2 4.16Å; E141-K182 HydrophobicContact CG-CB 4.12Å; E141-K182 HydrophobicContact CG-CD 3.81Å; E141-K182 HydrophobicContact CG-CG 4.17Å; E141-I191 HydrophobicContact CG-CD1 4.23Å
142	V	97.8	Very high	96.9	Very high	0 Å²	0	20 Å²	20	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	108.8	-178.3	-172	0	0	0	0	110.8	M120 F131 Y135 L140 L144 I181	M120-V142 CarbonylContact O-C 3.56Å; M120-V142 WeakPolarHBondContact O-CA 3.41Å; F131-V142 HydrophobicContact CD2-CG2 4.49Å; F131-V142 HydrophobicContact CE2-CG1 4.08Å; F131-V142 HydrophobicContact CE2-CG2 3.6Å; F131-V142 HydrophobicContact CZ-CG1 4.11Å; F131-V142 HydrophobicContact CZ-CG2 4.4Å; Y135-V142 HydrophobicContact CD2-CB 3.57Å; Y135-V142 HydrophobicContact CD2-CG2 3.29Å; Y135-V142 HydrophobicContact CE2-CB 3.71Å; Y135-V142 HydrophobicContact CE2-CG2 3.99Å; Y135-V142 HydrophobicContact CG-CB 4.13Å; Y135-V142 HydrophobicContact CG-CG2 3.61Å; L140-V142 HydrophobicContact CD2-CG2 3.84Å; L140-V142 HydrophobicContact CG-CG2 3.97Å; V142-L144 HydrophobicContact CG1-CD2 3.94Å; V142-L144 HydrophobicContact CG1-CG 4.12Å; V142-L144 PolarHBondContact O-N 3.17Å; V142-I181 PolarHBondContact N-O 3.14Å; V142-I181 WeakPolarHBondContact O-CA 3.24Å
143	E	97.8	Very high	97.2	Very high	27 Å²	27	19.2 Å²	19.2	13%	0.126	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	99.2	168.1	-175.3	179.3	145.3	0	0	108.9	M120 I121 S122 T145 R153 R196	M120-E143 PolarHBondContact O-N 3.14Å; I121-E143 HydrophobicContact CG1-CB 4.25Å; I121-E143 HydrophobicContact CG2-CB 4.28Å; I121-E143 HydrophobicContact CG2-CG 4.39Å; S122-E143 PolarHBondContact N-O 2.97Å; S122-E143 VanDerWaalsContact N-O 3.1Å; E143-T145 PolarHBondContact O-N 3.03Å; E143-R153 IonicContact OE1-CZ 3.4Å; E143-R153 IonicContact OE1-NH1 2.7Å; E143-R153 PolarHBondContact OE1-NH1 3.23Å; E143-R153 IonicContact OE1-NH2 3.51Å; E143-R196 IonicContact OE1-NH2 3.64Å
144	L	97	Very high	97.4	Very high	9 Å²	9	14.4 Å²	14.4	5%	0.047	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71	116.2	172.8	-68.1	175.7	0	0	0	109.9	S122 V125 V142 I174 W422 M423 V429 M432	S122-L144 CarbonylContact O-C 3.59Å; S122-L144 VanDerWaalsContact O-CA 3.29Å; S122-L144 WeakPolarHBondContact O-CA 3.4Å; V125-L144 HydrophobicContact CG2-CD2 4.23Å; V142-L144 HydrophobicContact CG1-CD2 3.94Å; V142-L144 HydrophobicContact CG1-CG 4.12Å; V142-L144 PolarHBondContact O-N 3.17Å; L144-I174 WeakPolarHBondContact O-CD1 3.44Å; L144-W422 HydrophobicContact CD1-CZ3 3.84Å; L144-M423 HydrophobicContact CD1-CE 4.19Å; L144-V429 HydrophobicContact CD1-CG1 3.68Å; L144-M432 HydrophobicContact CB-CE 4.22Å; L144-M432 HydrophobicContact CB-SD 4.06Å
145	T	98.3	Very high	97.5	Very high	3 Å²	3	19 Å²	19	2%	0.018	9%	0.094	C	C	.	.			trans	-122.3	127.8	-177.1	-57.1	0	0	0	0	109.5	S122 S123 E143 Q147 T149 L150	S122-T145 PolarHBondContact O-N 2.73Å; S123-T145 WeakPolarHBondContact CA-O 3.45Å; S123-T145 WeakPolarHBondContact CB-O 3.2Å; E143-T145 PolarHBondContact O-N 3.03Å; T145-Q147 PolarHBondContact O-N 3.35Å; T145-T149 HydrophobicContact CG2-CG2 3.94Å; T145-L150 HydrophobicContact CG2-CB 3.91Å; T145-L150 HydrophobicContact CG2-CD1 4.45Å
146	P	98.6	Very high	97.7	Very high	0 Å²	0	19 Å²	19	0%	0	9%	0.094	C	C	.	.			trans	-49.5	137.5	175	-27.4	35.4	0	0	0	111.8	G148 T149 L150 T168 I174 M432 M436	P146-G148 VanDerWaalsContact C-N 3.33Å; P146-G148 PolarHBondContact O-N 3.23Å; P146-T149 CarbonylContact O-C 3.59Å; P146-T149 WeakPolarHBondContact O-CA 3.29Å; P146-T149 WeakPolarHBondContact O-CB 3.44Å; P146-T149 PolarHBondContact O-N 3.41Å; P146-L150 PolarHBondContact O-N 3.08Å; P146-T168 HydrophobicContact CB-CG2 3.48Å; P146-T168 VanDerWaalsContact CB-CG2 3.48Å; P146-T168 HydrophobicContact CG-CG2 3.93Å; P146-I174 HydrophobicContact CG-CG1 4.03Å; P146-I174 HydrophobicContact CG-CG2 4.25Å; P146-M432 HydrophobicContact CB-CG 4.34Å; P146-M432 HydrophobicContact CG-CG 4.25Å; P146-M436 HydrophobicContact CB-CB 4.24Å; P146-M436 HydrophobicContact CB-SD 4.49Å; P146-M436 HydrophobicContact CG-CB 4.36Å; P146-M436 HydrophobicContact CG-SD 3.7Å
147	Q	98.8	Very high	98	Very high	2 Å²	2	16.6 Å²	16.6	1%	0.009	9%	0.085	C	C	.	.	H	α-helix	trans	-60.6	-41.5	-167.1	-176.9	173.3	-30.4	0	0	113.1	F73 N99 T145 L150 A151 F239 E353 F395 G433	F73-Q147 VanDerWaalsContact CE2-NE2 3.34Å; N99-Q147 VanDerWaalsContact OD1-CG 3.26Å; N99-Q147 WeakPolarHBondContact OD1-CG 3.39Å; T145-Q147 PolarHBondContact O-N 3.35Å; Q147-L150 WeakPolarHBondContact O-CB 3.49Å; Q147-L150 PolarHBondContact O-N 3.41Å; Q147-A151 PolarHBondContact O-N 2.9Å; Q147-F239 HydrophobicContact CG-CE2 3.94Å; Q147-F239 HydrophobicContact CG-CZ 3.72Å; Q147-E353 PolarHBondContact OE1-OE1 3.07Å; Q147-F395 HydrophobicContact CB-CE1 4.4Å; Q147-F395 HydrophobicContact CB-CE2 4.04Å; Q147-F395 HydrophobicContact CB-CZ 3.7Å; Q147-F395 HydrophobicContact CG-CD2 4.42Å; Q147-F395 HydrophobicContact CG-CE2 3.46Å; Q147-F395 VanDerWaalsContact CG-CE2 3.46Å; Q147-F395 HydrophobicContact CG-CZ 3.58Å; Q147-G433 VanDerWaalsContact CB-C 3.45Å; Q147-G433 WeakPolarHBondContact CB-O 3.42Å; Q147-G433 PolarHBondContact N-O 3.49Å
148	G	98.8	Very high	98.3	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-70.6	-34.5	176.7	0	0	0	0	0	112.7	P146 A151 E152 F395 R399 D437	P146-G148 VanDerWaalsContact C-N 3.33Å; P146-G148 PolarHBondContact O-N 3.23Å; G148-A151 PolarHBondContact O-N 3.16Å; G148-E152 WeakPolarHBondContact O-CB 3.43Å; G148-E152 PolarHBondContact O-N 3.07Å; G148-F395 VanDerWaalsContact CA-CB 3.41Å; G148-F395 VanDerWaalsContact CA-CD1 3.4Å; G148-F395 VanDerWaalsContact CA-CD2 3.48Å; G148-R399 PolarHBondContact O-NH2 2.94Å; G148-D437 WeakPolarHBondContact CA-OD1 3.11Å; G148-D437 WeakPolarHBondContact CA-OD2 3.44Å; G148-D437 PolarHBondContact N-OD2 2.85Å
149	T	98.8	Very high	98.4	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-64.5	-43.1	171.6	-65.8	0	0	0	0	110.6	T145 P146 A151 E152 R153 E209	T145-T149 HydrophobicContact CG2-CG2 3.94Å; P146-T149 CarbonylContact O-C 3.59Å; P146-T149 WeakPolarHBondContact O-CA 3.29Å; P146-T149 WeakPolarHBondContact O-CB 3.44Å; P146-T149 PolarHBondContact O-N 3.41Å; T149-A151 PolarHBondContact O-N 3.23Å; T149-E152 PolarHBondContact O-N 3.15Å; T149-R153 HydrophobicContact CG2-CG 4Å; T149-R153 VanDerWaalsContact O-CB 3.32Å; T149-R153 WeakPolarHBondContact O-CB 3.45Å; T149-R153 WeakPolarHBondContact O-CG 3.5Å; T149-R153 PolarHBondContact O-N 2.88Å; T149-E209 HydrophobicContact CG2-CB 4.09Å; T149-E209 HydrophobicContact CG2-CG 3.53Å
150	L	98.9	Very high	98.5	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-58.8	-47.5	176	-178.8	61.9	0	0	0	111	V97 I121 T145 P146 Q147 R153 I154 I212 F239	V97-L150 HydrophobicContact CG1-CD1 3.79Å; I121-L150 HydrophobicContact CG2-CD1 4.1Å; T145-L150 HydrophobicContact CG2-CB 3.91Å; T145-L150 HydrophobicContact CG2-CD1 4.45Å; P146-L150 PolarHBondContact O-N 3.08Å; Q147-L150 WeakPolarHBondContact O-CB 3.49Å; Q147-L150 PolarHBondContact O-N 3.41Å; L150-R153 PolarHBondContact O-N 3.13Å; L150-I154 HydrophobicContact CD1-CD1 4.1Å; L150-I154 HydrophobicContact CG-CD1 4.09Å; L150-I154 WeakPolarHBondContact O-CD1 3.44Å; L150-I154 VanDerWaalsContact O-CG1 3.24Å; L150-I154 WeakPolarHBondContact O-CG1 3.44Å; L150-I154 PolarHBondContact O-N 3.43Å; L150-I154 VanDerWaalsContact O-N 3.14Å; L150-I212 HydrophobicContact CD1-CD1 3.91Å; L150-F239 HydrophobicContact CB-CE1 4.36Å; L150-F239 HydrophobicContact CD2-CE1 4.07Å; L150-F239 HydrophobicContact CD2-CZ 4.29Å; L150-F239 HydrophobicContact CG-CE1 3.96Å
151	A	98.9	Very high	98.6	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-61.1	-45.9	178	0	0	0	0	0	112	Q147 G148 T149 I154 R155 F239 D392	Q147-A151 PolarHBondContact O-N 2.9Å; G148-A151 PolarHBondContact O-N 3.16Å; T149-A151 PolarHBondContact O-N 3.23Å; A151-I154 PolarHBondContact O-N 3.32Å; A151-R155 WeakPolarHBondContact O-CB 3.24Å; A151-R155 PolarHBondContact O-N 3.34Å; A151-F239 HydrophobicContact CB-CE1 3.74Å; A151-F239 HydrophobicContact CB-CZ 4.08Å; A151-D392 HydrophobicContact CB-CB 4.38Å
152	E	98.9	Very high	98.6	Very high	27 Å²	27	24.7 Å²	24.7	13%	0.126	16%	0.16	C	C	.	.	H	α-helix	trans	-71.3	-37.2	-179.5	-169.1	61.1	-145.8	0	0	112.3	G148 T149 I154 R155 A156 F164	G148-E152 WeakPolarHBondContact O-CB 3.43Å; G148-E152 PolarHBondContact O-N 3.07Å; T149-E152 PolarHBondContact O-N 3.15Å; E152-I154 VanDerWaalsContact C-N 3.29Å; E152-I154 PolarHBondContact O-N 2.94Å; E152-R155 PolarHBondContact O-N 2.88Å; E152-R155 WeakPolarHBondContact OE1-CD 3.36Å; E152-R155 IonicContact OE1-NH1 2.75Å; E152-R155 PolarHBondContact OE1-NH1 3.31Å; E152-A156 WeakPolarHBondContact O-CB 3.17Å; E152-A156 PolarHBondContact O-N 3.35Å; E152-F164 HydrophobicContact CB-CE1 4.12Å; E152-F164 HydrophobicContact CB-CE2 3.83Å; E152-F164 HydrophobicContact CB-CZ 3.51Å; E152-F164 HydrophobicContact CG-CD1 4.14Å; E152-F164 HydrophobicContact CG-CD2 3.82Å; E152-F164 HydrophobicContact CG-CE1 3.8Å; E152-F164 HydrophobicContact CG-CE2 3.43Å; E152-F164 VanDerWaalsContact CG-CE2 3.43Å; E152-F164 HydrophobicContact CG-CG 4.17Å; E152-F164 HydrophobicContact CG-CZ 3.44Å; E152-F164 VanDerWaalsContact CG-CZ 3.44Å
153	R	98.9	Very high	98.6	Very high	21 Å²	21	26.3 Å²	26.3	8%	0.079	17%	0.173	C	C	.	.	H	α-helix	trans	-58.7	-41.7	173.6	-72.9	174.9	72.4	-173.9	0.5	111.4	E143 T149 L150 G157 F164 E209 K210 A211 I212	E143-R153 IonicContact OE1-CZ 3.4Å; E143-R153 IonicContact OE1-NH1 2.7Å; E143-R153 PolarHBondContact OE1-NH1 3.23Å; E143-R153 IonicContact OE1-NH2 3.51Å; T149-R153 HydrophobicContact CG2-CG 4Å; T149-R153 VanDerWaalsContact O-CB 3.32Å; T149-R153 WeakPolarHBondContact O-CB 3.45Å; T149-R153 WeakPolarHBondContact O-CG 3.5Å; T149-R153 PolarHBondContact O-N 2.88Å; L150-R153 PolarHBondContact O-N 3.13Å; R153-G157 PolarHBondContact O-N 3.01Å; R153-G157 VanDerWaalsContact O-N 3.12Å; R153-F164 HydrophobicContact CB-CE1 4.36Å; R153-F164 HydrophobicContact CG-CE1 3.76Å; R153-F164 HydrophobicContact CG-CZ 3.99Å; R153-E209 WeakPolarHBondContact CD-OE2 3.34Å; R153-E209 HydrophobicContact CG-CB 4.13Å; R153-E209 IonicContact CZ-OE2 2.68Å; R153-E209 IonicContact NE-OE2 3.57Å; R153-E209 IonicContact NH1-OE2 2.69Å; R153-K210 VanDerWaalsContact CG-O 3.22Å; R153-K210 WeakPolarHBondContact CG-O 3.46Å; R153-K210 PolarHBondContact NE-O 2.97Å; R153-A211 WeakPolarHBondContact O-CA 3.46Å; R153-I212 HydrophobicContact CB-CB 4.37Å; R153-I212 HydrophobicContact CB-CD1 3.86Å; R153-I212 HydrophobicContact CB-CG1 3.94Å; R153-I212 PolarHBondContact O-N 2.95Å
154	I	98.9	Very high	98.7	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-67.6	-49.2	176.1	-66.5	163.5	0	0	0	110.1	L69 V97 L150 A151 E152 A156 G157 G158 I212 F239 P242 M243 A246	L69-I154 HydrophobicContact CD1-CG2 4.31Å; V97-I154 HydrophobicContact CG1-CD1 4.11Å; V97-I154 HydrophobicContact CG1-CG1 4.47Å; L150-I154 HydrophobicContact CD1-CD1 4.1Å; L150-I154 HydrophobicContact CG-CD1 4.09Å; L150-I154 WeakPolarHBondContact O-CD1 3.44Å; L150-I154 VanDerWaalsContact O-CG1 3.24Å; L150-I154 WeakPolarHBondContact O-CG1 3.44Å; L150-I154 PolarHBondContact O-N 3.43Å; L150-I154 VanDerWaalsContact O-N 3.14Å; A151-I154 PolarHBondContact O-N 3.32Å; E152-I154 VanDerWaalsContact C-N 3.29Å; E152-I154 PolarHBondContact O-N 2.94Å; I154-A156 VanDerWaalsContact C-N 3.31Å; I154-A156 PolarHBondContact O-N 3.24Å; I154-G157 PolarHBondContact O-N 3.49Å; I154-G157 VanDerWaalsContact O-N 3.13Å; I154-G158 PolarHBondContact O-N 3.41Å; I154-G158 VanDerWaalsContact O-N 3.08Å; I154-I212 HydrophobicContact CG1-CB 4.32Å; I154-I212 HydrophobicContact CG1-CG2 4.47Å; I154-F239 HydrophobicContact CD1-CD1 4.14Å; I154-F239 HydrophobicContact CD1-CE1 4.37Å; I154-P242 HydrophobicContact CG2-CB 4.09Å; I154-M243 HydrophobicContact CD1-CE 3.56Å; I154-M243 HydrophobicContact CD1-CG 4Å; I154-M243 HydrophobicContact CG2-CB 4.4Å; I154-M243 HydrophobicContact CG2-CG 3.85Å; I154-A246 HydrophobicContact CG2-CB 3.68Å; I154-A246 VanDerWaalsContact O-CB 3.26Å; I154-A246 WeakPolarHBondContact O-CB 3.48Å
155	R	98.9	Very high	98.8	Very high	100 Å²	100	28.9 Å²	28.9	38%	0.377	18%	0.184	S	C	.	.	H	α-helix	trans	-58.7	-43.1	178.8	-178.4	-93.6	171.5	-179.1	-2.1	111.8	A151 E152 G157 G158 A159 P242 D392	A151-R155 WeakPolarHBondContact O-CB 3.24Å; A151-R155 PolarHBondContact O-N 3.34Å; E152-R155 PolarHBondContact O-N 2.88Å; E152-R155 WeakPolarHBondContact OE1-CD 3.36Å; E152-R155 IonicContact OE1-NH1 2.75Å; E152-R155 PolarHBondContact OE1-NH1 3.31Å; R155-G157 VanDerWaalsContact C-N 3.34Å; R155-G157 PolarHBondContact O-N 3.03Å; R155-G158 PolarHBondContact O-N 3.09Å; R155-A159 VanDerWaalsContact O-CB 3.29Å; R155-A159 WeakPolarHBondContact O-CB 3.4Å; R155-A159 PolarHBondContact O-N 3.21Å; R155-P242 HydrophobicContact CB-CB 4.36Å; R155-D392 HydrophobicContact CB-CB 3.99Å; R155-D392 HydrophobicContact CG-CB 4.23Å
156	A	98.9	Very high	98.8	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-59.7	-43.2	175.7	0	0	0	0	0	111.6	E152 I154 G158 A159 G160 I161 F164 A211	E152-A156 WeakPolarHBondContact O-CB 3.17Å; E152-A156 PolarHBondContact O-N 3.35Å; I154-A156 VanDerWaalsContact C-N 3.31Å; I154-A156 PolarHBondContact O-N 3.24Å; A156-G158 PolarHBondContact O-N 3.42Å; A156-A159 CarbonylContact O-C 3.6Å; A156-A159 PolarHBondContact O-N 3.27Å; A156-A159 VanDerWaalsContact O-N 3.09Å; A156-G160 PolarHBondContact O-N 2.83Å; A156-G160 VanDerWaalsContact O-N 3.11Å; A156-I161 CarbonylContact C-O 3.57Å; A156-I161 HydrophobicContact CB-CB 4Å; A156-I161 HydrophobicContact CB-CG2 4.21Å; A156-I161 WeakPolarHBondContact CB-O 3.41Å; A156-I161 PolarHBondContact O-N 2.83Å; A156-F164 HydrophobicContact CB-CD1 4.1Å; A156-F164 HydrophobicContact CB-CE1 4.43Å; A156-A211 HydrophobicContact CB-CB 4.07Å
157	G	98.9	Very high	98.8	Very high	15 Å²	15	29.4 Å²	29.4	16%	0.155	19%	0.187	C	C	.	.	H	α-helix	trans	-58.7	-46.3	175.6	0	0	0	0	0	113	R153 I154 R155 A159 G160	R153-G157 PolarHBondContact O-N 3.01Å; R153-G157 VanDerWaalsContact O-N 3.12Å; I154-G157 PolarHBondContact O-N 3.49Å; I154-G157 VanDerWaalsContact O-N 3.13Å; R155-G157 VanDerWaalsContact C-N 3.34Å; R155-G157 PolarHBondContact O-N 3.03Å; G157-A159 VanDerWaalsContact C-N 3.25Å; G157-A159 PolarHBondContact O-N 3.44Å; G157-G160 PolarHBondContact O-N 3Å
158	G	98.6	Very high	98.8	Very high	26 Å²	26	29.3 Å²	29.3	27%	0.268	19%	0.187	S	C	.	.	H	α-helix	trans	-71.4	-16.1	175.4	0	0	0	0	0	115.2	I154 R155 A156 K245	I154-G158 PolarHBondContact O-N 3.41Å; I154-G158 VanDerWaalsContact O-N 3.08Å; R155-G158 PolarHBondContact O-N 3.09Å; A156-G158 PolarHBondContact O-N 3.42Å; G158-K245 WeakPolarHBondContact CA-O 3.46Å
159	A	98.8	Very high	98.7	Very high	52 Å²	52	29.5 Å²	29.5	43%	0.43	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.2	-0.5	179.7	0	0	0	0	0	113.7	R155 A156 G157 I161	R155-A159 VanDerWaalsContact O-CB 3.29Å; R155-A159 WeakPolarHBondContact O-CB 3.4Å; R155-A159 PolarHBondContact O-N 3.21Å; A156-A159 CarbonylContact O-C 3.6Å; A156-A159 PolarHBondContact O-N 3.27Å; A156-A159 VanDerWaalsContact O-N 3.09Å; G157-A159 VanDerWaalsContact C-N 3.25Å; G157-A159 PolarHBondContact O-N 3.44Å; A159-I161 VanDerWaalsContact C-N 3.31Å; A159-I161 HydrophobicContact CB-CD1 4.16Å; A159-I161 HydrophobicContact CB-CG1 4.31Å
160	G	98.5	Very high	98.7	Very high	68 Å²	68	32.4 Å²	32.4	70%	0.701	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	71.7	23.4	-176.3	0	0	0	0	0	114	A156 G157	A156-G160 PolarHBondContact O-N 2.83Å; A156-G160 VanDerWaalsContact O-N 3.11Å; G157-G160 PolarHBondContact O-N 3Å
161	I	98.9	Very high	98.6	Very high	61 Å²	61	32.7 Å²	32.7	31%	0.313	20%	0.203	S	C	.	.			trans	-98.9	111.2	176	-63.2	170.2	0	0	0	107.4	A156 A159 A163 A211	A156-I161 CarbonylContact C-O 3.57Å; A156-I161 HydrophobicContact CB-CB 4Å; A156-I161 HydrophobicContact CB-CG2 4.21Å; A156-I161 WeakPolarHBondContact CB-O 3.41Å; A156-I161 PolarHBondContact O-N 2.83Å; A159-I161 VanDerWaalsContact C-N 3.31Å; A159-I161 HydrophobicContact CB-CD1 4.16Å; A159-I161 HydrophobicContact CB-CG1 4.31Å; I161-A163 VanDerWaalsContact CG2-O 3.27Å; I161-A163 WeakPolarHBondContact CG2-O 3.18Å; I161-A163 PolarHBondContact O-N 3.23Å; I161-A211 WeakPolarHBondContact O-CB 3.46Å
162	P	98.6	Very high	98.6	Very high	108 Å²	108	32.8 Å²	32.8	70%	0.701	20%	0.204	S	C	*	.			trans	-73.9	-27.1	-172.3	28.1	-35	0	0	0	113.6	A211	P162-A211 PolarHBondContact O-N 3.42Å
163	A	98.8	Very high	98.4	Very high	34 Å²	34	33.6 Å²	33.6	28%	0.281	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.7	158.3	177.6	0	0	0	0	0	111	I161 M208 E209	I161-A163 VanDerWaalsContact CG2-O 3.27Å; I161-A163 WeakPolarHBondContact CG2-O 3.18Å; I161-A163 PolarHBondContact O-N 3.23Å; A163-M208 HydrophobicContact CB-CG 3.94Å; A163-M208 HydrophobicContact CB-SD 3.95Å; A163-E209 CarbonylContact C-O 3.6Å; A163-E209 WeakPolarHBondContact CA-O 3.48Å; A163-E209 WeakPolarHBondContact CB-O 3.38Å
164	F	98.9	Very high	98.3	Very high	31 Å²	31	33.1 Å²	33.1	14%	0.136	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	167.5	175.5	66.7	-81	0	0	0	110.4	E152 R153 A156 T166 M208 E209	E152-F164 HydrophobicContact CB-CE1 4.12Å; E152-F164 HydrophobicContact CB-CE2 3.83Å; E152-F164 HydrophobicContact CB-CZ 3.51Å; E152-F164 HydrophobicContact CG-CD1 4.14Å; E152-F164 HydrophobicContact CG-CD2 3.82Å; E152-F164 HydrophobicContact CG-CE1 3.8Å; E152-F164 HydrophobicContact CG-CE2 3.43Å; E152-F164 VanDerWaalsContact CG-CE2 3.43Å; E152-F164 HydrophobicContact CG-CG 4.17Å; E152-F164 HydrophobicContact CG-CZ 3.44Å; E152-F164 VanDerWaalsContact CG-CZ 3.44Å; R153-F164 HydrophobicContact CB-CE1 4.36Å; R153-F164 HydrophobicContact CG-CE1 3.76Å; R153-F164 HydrophobicContact CG-CZ 3.99Å; A156-F164 HydrophobicContact CB-CD1 4.1Å; A156-F164 HydrophobicContact CB-CE1 4.43Å; F164-T166 HydrophobicContact CE2-CG2 4.11Å; F164-M208 WeakPolarHBondContact O-CA 3.44Å; F164-E209 HydrophobicContact CE1-CB 3.94Å; F164-E209 HydrophobicContact CE2-CB 4.31Å; F164-E209 HydrophobicContact CZ-CB 3.79Å; F164-E209 PolarHBondContact N-O 3.28Å; F164-E209 PolarHBondContact O-N 3.24Å
165	F	98.8	Very high	98.3	Very high	59 Å²	59	34.1 Å²	34.1	26%	0.259	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	138.1	176.8	-77.8	-86.9	0	0	0	111.4	R199 F201 I207 M208	F165-R199 HydrophobicContact CD1-CB 4.14Å; F165-R199 HydrophobicContact CE1-CB 3.52Å; F165-R199 HydrophobicContact CZ-CB 3.99Å; F165-F201 HydrophobicContact CB-CE2 4.13Å; F165-F201 AromaticContact CD1-CE2 3.97Å; F165-F201 HydrophobicContact CD1-CE2 3.97Å; F165-F201 HydrophobicContact CD2-CE2 4.03Å; F165-F201 HydrophobicContact CD2-CZ 4.06Å; F165-F201 HydrophobicContact CE1-CE2 4.41Å; F165-F201 HydrophobicContact CE2-CE2 4.47Å; F165-F201 HydrophobicContact CE2-CZ 4.32Å; F165-F201 AromaticContact CG-CE2 3.76Å; F165-F201 HydrophobicContact CG-CE2 3.76Å; F165-F201 HydrophobicContact CG-CZ 4.27Å; F165-I207 WeakPolarHBondContact CA-O 3.39Å; F165-M208 HydrophobicContact CD1-CB 4.15Å; F165-M208 HydrophobicContact CE1-CB 3.67Å; F165-M208 HydrophobicContact CE1-CG 4.43Å; F165-M208 HydrophobicContact CE2-CG 4.43Å; F165-M208 HydrophobicContact CZ-CB 3.88Å; F165-M208 HydrophobicContact CZ-CG 4.19Å
166	T	98.8	Very high	98.3	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	143.5	178	-179.9	0	0	0	0	111.1	F164 T168 Y206 I207 E209 R399	F164-T166 HydrophobicContact CE2-CG2 4.11Å; T166-T168 WeakPolarHBondContact OG1-CB 3.49Å; T166-T168 PolarHBondContact OG1-N 2.8Å; T166-T168 PolarHBondContact OG1-OG1 3.44Å; T166-Y206 CarbonylContact O-C 3.59Å; T166-Y206 WeakPolarHBondContact O-CA 3.46Å; T166-I207 HydrophobicContact CG2-CG1 3.96Å; T166-I207 PolarHBondContact N-O 2.85Å; T166-I207 PolarHBondContact O-N 3.07Å; T166-E209 HydrophobicContact CG2-CG 3.97Å; T166-R399 WeakPolarHBondContact OG1-CD 3.46Å; T166-R399 PolarHBondContact OG1-NE 3.24Å; T166-R399 VanDerWaalsContact OG1-NE 3.09Å
167	P	98.2	Very high	98.1	Very high	14 Å²	14	35 Å²	35	9%	0.091	22%	0.222	C	C	.	.	S	Bend	trans	-76.3	-16.7	173.5	31.7	-31	0	0	0	111.7	G169 Y170 R204 Y206 R399 A440	P167-G169 PolarHBondContact O-N 3.44Å; P167-Y170 PolarHBondContact O-N 3.23Å; P167-R204 VanDerWaalsContact CB-NH2 3.26Å; P167-Y206 HydrophobicContact CB-CD1 4.05Å; P167-Y206 HydrophobicContact CB-CE1 4.02Å; P167-Y206 HydrophobicContact CG-CD1 4.22Å; P167-Y206 HydrophobicContact CG-CE1 3.94Å; P167-R399 HydrophobicContact CG-CG 4.16Å; P167-A440 HydrophobicContact CB-CB 4.37Å; P167-A440 HydrophobicContact CG-CB 4.18Å
168	T	98.6	Very high	97.9	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.2	123	178.8	-57.5	0	0	0	0	110.6	P146 T166 I207 M436 D437	P146-T168 HydrophobicContact CB-CG2 3.48Å; P146-T168 VanDerWaalsContact CB-CG2 3.48Å; P146-T168 HydrophobicContact CG-CG2 3.93Å; T166-T168 WeakPolarHBondContact OG1-CB 3.49Å; T166-T168 PolarHBondContact OG1-N 2.8Å; T166-T168 PolarHBondContact OG1-OG1 3.44Å; T168-I207 WeakPolarHBondContact O-CD1 3.33Å; T168-M436 HydrophobicContact CG2-CB 3.78Å; T168-D437 HydrophobicContact CG2-CB 4.28Å; T168-D437 VanDerWaalsContact CG2-CG 3.44Å; T168-D437 WeakPolarHBondContact CG2-OD1 3.32Å; T168-D437 PolarHBondContact OG1-OD1 3.11Å
169	G	97.9	Very high	97.6	Very high	4 Å²	4	35.1 Å²	35.1	4%	0.041	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	88.1	-3.3	175.4	0	0	0	0	0	115.4	P167 G171 T172 Q175	P167-G169 PolarHBondContact O-N 3.44Å; G169-G171 PolarHBondContact O-N 3.45Å; G169-T172 WeakPolarHBondContact O-CB 3.3Å; G169-T172 PolarHBondContact O-N 2.83Å; G169-T172 PolarHBondContact O-OG1 2.91Å; G169-Q175 VanDerWaalsContact O-CB 3.26Å; G169-Q175 WeakPolarHBondContact O-CB 3.13Å
170	Y	98.4	Very high	97.3	Very high	60 Å²	60	33.4 Å²	33.4	24%	0.235	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.3	134.6	172.8	174.1	-103.9	0	0	0	111.9	P167 T172 Q175 V198 H205 I207	P167-Y170 PolarHBondContact O-N 3.23Å; Y170-T172 VanDerWaalsContact C-N 3.29Å; Y170-T172 PolarHBondContact O-N 3.34Å; Y170-Q175 HydrophobicContact CD2-CG 4.42Å; Y170-V198 HydrophobicContact CD2-CG1 4.12Å; Y170-V198 HydrophobicContact CD2-CG2 4.48Å; Y170-V198 HydrophobicContact CE2-CG1 3.8Å; Y170-V198 HydrophobicContact CE2-CG2 4.47Å; Y170-H205 HydrophobicContact CD1-CB 3.83Å; Y170-H205 HydrophobicContact CD2-CB 3.61Å; Y170-H205 HydrophobicContact CE1-CB 3.6Å; Y170-H205 AromaticContact CE1-CG 3.92Å; Y170-H205 HydrophobicContact CE2-CB 3.38Å; Y170-H205 AromaticContact CE2-CD2 3.63Å; Y170-H205 AromaticContact CE2-CG 3.71Å; Y170-H205 HydrophobicContact CG-CB 3.83Å; Y170-H205 AromaticContact CZ-CD2 3.52Å; Y170-H205 AromaticContact CZ-CG 3.4Å; Y170-H205 VanDerWaalsContact CZ-CG 3.4Å; Y170-H205 PolarHBondContact OH-CD2 2.97Å; Y170-I207 HydrophobicContact CD2-CG2 4.31Å
171	G	96.9	Very high	97.2	Very high	7 Å²	7	30.9 Å²	30.9	7%	0.072	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	69.2	24.3	-177.1	0	0	0	0	0	114	G169	G169-G171 PolarHBondContact O-N 3.45Å
172	T	97.9	Very high	97.2	Very high	2 Å²	2	30.8 Å²	30.8	1%	0.012	18%	0.175	C	C	.	.	S	Bend	trans	-128.1	173.4	176.4	79.1	0	0	0	0	110.4	G169 Y170 I174 Q175 E176 M436 L469	G169-T172 WeakPolarHBondContact O-CB 3.3Å; G169-T172 PolarHBondContact O-N 2.83Å; G169-T172 PolarHBondContact O-OG1 2.91Å; Y170-T172 VanDerWaalsContact C-N 3.29Å; Y170-T172 PolarHBondContact O-N 3.34Å; T172-I174 PolarHBondContact O-N 3.01Å; T172-I174 PolarHBondContact OG1-N 3.43Å; T172-Q175 PolarHBondContact O-N 3.16Å; T172-E176 WeakPolarHBondContact O-CG 3.23Å; T172-E176 PolarHBondContact O-N 2.8Å; T172-M436 HydrophobicContact CG2-CE 4.23Å; T172-L469 HydrophobicContact CG2-CB 4.15Å
173	L	96	Very high	97	Very high	44 Å²	44	26.8 Å²	26.8	23%	0.23	15%	0.146	C	C	.	.	H	α-helix	trans	-57.1	-21.5	173.6	-67.5	179.6	0	0	0	114.1	Q175 G177 W422 P468	L173-Q175 VanDerWaalsContact C-N 3.35Å; L173-G177 PolarHBondContact O-N 2.94Å; L173-W422 HydrophobicContact CD1-CH2 4.47Å; L173-W422 HydrophobicContact CD1-CZ2 4.25Å; L173-P468 HydrophobicContact CD1-CB 3.78Å; L173-P468 HydrophobicContact CD1-CG 3.98Å; L173-P468 HydrophobicContact CG-CB 4.38Å
174	I	97.3	Very high	96.8	Very high	10 Å²	10	28.5 Å²	28.5	5%	0.051	15%	0.151	C	C	.	.	H	α-helix	trans	-66.8	-41	173.8	-61.3	-55.8	0	0	0	110.5	L144 P146 T172 R196 I207 M432 M436	L144-I174 WeakPolarHBondContact O-CD1 3.44Å; P146-I174 HydrophobicContact CG-CG1 4.03Å; P146-I174 HydrophobicContact CG-CG2 4.25Å; T172-I174 PolarHBondContact O-N 3.01Å; T172-I174 PolarHBondContact OG1-N 3.43Å; I174-R196 VanDerWaalsContact O-CG 3.22Å; I174-R196 WeakPolarHBondContact O-CG 3.34Å; I174-I207 HydrophobicContact CG2-CD1 4.06Å; I174-M432 HydrophobicContact CD1-CE 3.66Å; I174-M432 HydrophobicContact CG1-CE 3.98Å; I174-M436 HydrophobicContact CG1-CE 3.98Å; I174-M436 HydrophobicContact CG1-SD 3.74Å
175	Q	98.3	Very high	96.5	Very high	21 Å²	21	37 Å²	37	10%	0.098	19%	0.188	C	C	.	.	H	α-helix	trans	-80	-50.3	177.9	177.6	-106.4	-57.2	0	0	112	G169 Y170 T172 L173 G177 E195 R196 V198 I207	G169-Q175 VanDerWaalsContact O-CB 3.26Å; G169-Q175 WeakPolarHBondContact O-CB 3.13Å; Y170-Q175 HydrophobicContact CD2-CG 4.42Å; T172-Q175 PolarHBondContact O-N 3.16Å; L173-Q175 VanDerWaalsContact C-N 3.35Å; Q175-G177 PolarHBondContact O-N 2.96Å; Q175-E195 WeakPolarHBondContact O-CA 3.35Å; Q175-E195 VanDerWaalsContact O-CG 3.31Å; Q175-E195 WeakPolarHBondContact O-CG 3.45Å; Q175-R196 PolarHBondContact O-N 2.8Å; Q175-V198 HydrophobicContact CG-CG2 3.71Å; Q175-I207 HydrophobicContact CB-CG2 3.8Å; Q175-I207 HydrophobicContact CG-CG2 3.45Å; Q175-I207 VanDerWaalsContact CG-CG2 3.45Å
176	E	97.7	Very high	96.1	Very high	111 Å²	111	40.3 Å²	40.3	52%	0.519	21%	0.208	S	C	.	.	H	α-helix	trans	-70.1	-17.9	-172.4	-64.7	173.8	173.2	0	0	112.9	T172	T172-E176 WeakPolarHBondContact O-CG 3.23Å; T172-E176 PolarHBondContact O-N 2.8Å
177	G	95.9	Very high	95.6	Very high	7 Å²	7	42.6 Å²	42.6	7%	0.072	23%	0.232	C	C	.	.			trans	76.1	-171.4	-171.1	0	0	0	0	0	111.9	L173 Q175 S179 S193	L173-G177 PolarHBondContact O-N 2.94Å; Q175-G177 PolarHBondContact O-N 2.96Å; G177-S179 PolarHBondContact O-N 3.45Å; G177-S193 WeakPolarHBondContact CA-O 3.47Å; G177-S193 WeakPolarHBondContact CA-OG 3.46Å
178	G	93.9	Very high	95.4	Very high	40 Å²	40	44.3 Å²	44.3	41%	0.412	24%	0.244	S	C	.	.			trans	80.5	-4.9	179.8	0	0	0	0	0	114.9	S193	G178-S193 PolarHBondContact N-O 3.21Å; G178-S193 PolarHBondContact N-OG 3.17Å
179	S	92.1	Very high	95.2	Very high	5 Å²	5	48.3 Å²	48.3	4%	0.035	26%	0.264	C	S	.	.			trans	-61.7	131.5	174	-174.6	0	0	0	0	109.4	G177 I181 A192 S193	G177-S179 PolarHBondContact O-N 3.45Å; S179-I181 PolarHBondContact O-N 3.16Å; S179-I181 VanDerWaalsContact O-N 3.15Å; S179-A192 CarbonylContact O-C 3.59Å; S179-A192 WeakPolarHBondContact O-CA 3.35Å; S179-S193 VanDerWaalsContact CB-OG 3.25Å; S179-S193 WeakPolarHBondContact CB-OG 3.41Å; S179-S193 PolarHBondContact N-OG 3.17Å; S179-S193 PolarHBondContact O-N 3.15Å
180	P	93.4	Very high	95.2	Very high	15 Å²	15	50.2 Å²	50.2	10%	0.097	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.8	121.3	178.2	-18.6	30.7	0	0	0	110	Y135 Y183 I189	Y135-P180 PolarHBondContact OH-O 2.92Å; P180-Y183 HydrophobicContact CB-CD1 4.22Å; P180-Y183 HydrophobicContact CB-CE1 3.51Å; P180-Y183 HydrophobicContact CB-CE2 4Å; P180-Y183 HydrophobicContact CG-CE1 3.71Å; P180-Y183 WeakPolarHBondContact CG-OH 3.22Å; P180-I189 HydrophobicContact CB-CD1 4.38Å; P180-I189 HydrophobicContact CB-CG1 4.1Å; P180-I189 HydrophobicContact CB-CG2 4.25Å; P180-I189 HydrophobicContact CG-CD1 3.76Å; P180-I189 HydrophobicContact CG-CG1 3.9Å
181	I	97	Very high	95.2	Very high	15 Å²	15	50 Å²	50	8%	0.077	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	-33.9	166.2	-66.1	175.3	0	0	0	109.4	E141 V142 S179 I191	E141-I181 CarbonylContact C-O 3.5Å; E141-I181 WeakPolarHBondContact CA-O 3.5Å; E141-I181 HydrophobicContact CB-CG2 4.16Å; V142-I181 PolarHBondContact N-O 3.14Å; V142-I181 WeakPolarHBondContact O-CA 3.24Å; S179-I181 PolarHBondContact O-N 3.16Å; S179-I181 VanDerWaalsContact O-N 3.15Å; I181-I191 WeakPolarHBondContact CA-O 3.35Å; I181-I191 HydrophobicContact CB-CB 4.17Å; I181-I191 HydrophobicContact CB-CG2 3.94Å; I181-I191 HydrophobicContact CD1-CG2 4.37Å; I181-I191 HydrophobicContact CG2-CB 4.48Å; I181-I191 HydrophobicContact CG2-CG2 4.16Å; I181-I191 PolarHBondContact N-O 2.97Å
182	K	97.2	Very high	95.2	Very high	59 Å²	59	52.1 Å²	52.1	26%	0.257	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	140.2	176.6	-168.6	-178.7	-173.8	168.6	0	110	G138 E141 A190 I191	G138-K182 WeakPolarHBondContact O-CE 3.18Å; E141-K182 HydrophobicContact CG-CB 4.12Å; E141-K182 HydrophobicContact CG-CD 3.81Å; E141-K182 HydrophobicContact CG-CG 4.17Å; K182-A190 HydrophobicContact CB-CB 4.25Å; K182-A190 HydrophobicContact CD-CB 4.45Å; K182-A190 HydrophobicContact CG-CB 4.27Å; K182-A190 WeakPolarHBondContact O-CA 3.42Å; K182-A190 WeakPolarHBondContact O-CB 3.39Å; K182-A190 PolarHBondContact O-N 3.11Å; K182-I191 HydrophobicContact CB-CB 3.88Å; K182-I191 HydrophobicContact CB-CD1 3.91Å; K182-I191 HydrophobicContact CB-CG1 3.88Å; K182-I191 HydrophobicContact CD-CD1 3.91Å; K182-I191 HydrophobicContact CD-CG1 4.37Å; K182-I191 PolarHBondContact N-O 2.97Å; K182-I191 VanDerWaalsContact N-O 3.12Å; K182-I191 PolarHBondContact O-N 3.11Å; K182-I191 VanDerWaalsContact O-N 3.14Å
183	Y	95.3	Very high	95.2	Very high	25 Å²	25	52.9 Å²	52.9	10%	0.098	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	154.6	171	-62.3	-79.7	0	0	0	111.8	Y135 L136 G138 P180 S188 I189	Y135-Y183 HydrophobicContact CD1-CE2 4.28Å; Y135-Y183 HydrophobicContact CD2-CD2 4.26Å; Y135-Y183 HydrophobicContact CD2-CE2 4.2Å; Y135-Y183 AromaticContact CE1-CE2 3.69Å; Y135-Y183 HydrophobicContact CE1-CE2 3.69Å; Y135-Y183 AromaticContact CE2-CD2 3.97Å; Y135-Y183 HydrophobicContact CE2-CD2 3.97Å; Y135-Y183 AromaticContact CE2-CE2 3.63Å; Y135-Y183 HydrophobicContact CE2-CE2 3.63Å; Y135-Y183 AromaticContact CZ-CE2 3.35Å; Y135-Y183 WeakPolarHBondContact O-CD2 3.47Å; Y135-Y183 WeakPolarHBondContact OH-CE2 3.39Å; L136-Y183 HydrophobicContact CD2-CE2 4.13Å; G138-Y183 WeakPolarHBondContact CA-O 3.42Å; P180-Y183 HydrophobicContact CB-CD1 4.22Å; P180-Y183 HydrophobicContact CB-CE1 3.51Å; P180-Y183 HydrophobicContact CB-CE2 4Å; P180-Y183 HydrophobicContact CG-CE1 3.71Å; P180-Y183 WeakPolarHBondContact CG-OH 3.22Å; Y183-S188 CarbonylContact C-O 3.51Å; Y183-S188 VanDerWaalsContact CA-O 3.32Å; Y183-S188 WeakPolarHBondContact CA-O 3.27Å; Y183-I189 HydrophobicContact CE1-CG1 4.46Å
184	N	95.1	Very high	95.2	Very high	70 Å²	70	57.3 Å²	57.3	37%	0.374	32%	0.324	S	S	.	.			trans	-82.2	166.8	161.1	-71.8	-48.8	0	0	0	109.8	D186 G187 S188 A190	N184-D186 WeakPolarHBondContact CB-OD1 3.39Å; N184-D186 PolarHBondContact O-N 3.2Å; N184-G187 PolarHBondContact O-N 3.45Å; N184-S188 WeakPolarHBondContact CB-OG 3.47Å; N184-S188 PolarHBondContact N-O 2.8Å; N184-S188 PolarHBondContact ND2-OG 3.21Å; N184-A190 VanDerWaalsContact OD1-CB 3.31Å; N184-A190 WeakPolarHBondContact OD1-CB 3.47Å
185	K	91.4	Very high	95.3	Very high	210 Å²	210	63.4 Å²	63.4	91%	0.913	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-23.2	177.8	-68.5	-175	178.5	-179.5	0	114	G187	K185-G187 VanDerWaalsContact C-N 3.28Å
186	D	91.3	Very high	95.3	Very high	128 Å²	128	64.5 Å²	64.5	68%	0.684	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.6	0.8	176.7	65.6	1.4	0	0	0	113.1	N184 S188	N184-D186 WeakPolarHBondContact CB-OD1 3.39Å; N184-D186 PolarHBondContact O-N 3.2Å; D186-S188 VanDerWaalsContact C-N 3.34Å; D186-S188 VanDerWaalsContact OD1-CB 3.28Å; D186-S188 WeakPolarHBondContact OD1-CB 3.24Å; D186-S188 PolarHBondContact OD1-N 3.04Å; D186-S188 PolarHBondContact OD1-OG 3.03Å; D186-S188 PolarHBondContact OD2-OG 3.46Å
187	G	88.8	Confident	95.3	Very high	48 Å²	48	63 Å²	63	50%	0.495	35%	0.348	S	S	.	.	S	Bend	trans	84.9	-1.9	-178.5	0	0	0	0	0	114.8	N184 K185	N184-G187 PolarHBondContact O-N 3.45Å; K185-G187 VanDerWaalsContact C-N 3.28Å
188	S	93.2	Very high	95.4	Very high	50 Å²	50	65.2 Å²	65.2	35%	0.35	36%	0.36	S	S	.	.			trans	-71.4	159.1	172.5	66.8	0	0	0	0	111.7	Y183 N184 D186 A190	Y183-S188 CarbonylContact C-O 3.51Å; Y183-S188 VanDerWaalsContact CA-O 3.32Å; Y183-S188 WeakPolarHBondContact CA-O 3.27Å; N184-S188 WeakPolarHBondContact CB-OG 3.47Å; N184-S188 PolarHBondContact N-O 2.8Å; N184-S188 PolarHBondContact ND2-OG 3.21Å; D186-S188 VanDerWaalsContact C-N 3.34Å; D186-S188 VanDerWaalsContact OD1-CB 3.28Å; D186-S188 WeakPolarHBondContact OD1-CB 3.24Å; D186-S188 PolarHBondContact OD1-N 3.04Å; D186-S188 PolarHBondContact OD1-OG 3.03Å; D186-S188 PolarHBondContact OD2-OG 3.46Å; S188-A190 PolarHBondContact O-N 3.34Å
189	I	95.2	Very high	95.6	Very high	83 Å²	83	68.9 Å²	68.9	43%	0.426	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	116.8	-179.6	-56.5	172.8	0	0	0	109	P180 Y183 I191 A192	P180-I189 HydrophobicContact CB-CD1 4.38Å; P180-I189 HydrophobicContact CB-CG1 4.1Å; P180-I189 HydrophobicContact CB-CG2 4.25Å; P180-I189 HydrophobicContact CG-CD1 3.76Å; P180-I189 HydrophobicContact CG-CG1 3.9Å; Y183-I189 HydrophobicContact CE1-CG1 4.46Å; I189-I191 VanDerWaalsContact CG2-O 3.3Å; I189-I191 WeakPolarHBondContact CG2-O 3.5Å; I189-A192 HydrophobicContact CG2-CB 3.97Å
190	A	97.3	Very high	95.9	Very high	44 Å²	44	73.5 Å²	73.5	36%	0.364	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	-39.1	175.9	0	0	0	0	0	112.1	K182 N184 S188	K182-A190 HydrophobicContact CB-CB 4.25Å; K182-A190 HydrophobicContact CD-CB 4.45Å; K182-A190 HydrophobicContact CG-CB 4.27Å; K182-A190 WeakPolarHBondContact O-CA 3.42Å; K182-A190 WeakPolarHBondContact O-CB 3.39Å; K182-A190 PolarHBondContact O-N 3.11Å; N184-A190 VanDerWaalsContact OD1-CB 3.31Å; N184-A190 WeakPolarHBondContact OD1-CB 3.47Å; S188-A190 PolarHBondContact O-N 3.34Å
191	I	97.9	Very high	96.1	Very high	57 Å²	57	76.7 Å²	76.7	29%	0.292	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	122.9	177.2	-54.6	175.3	0	0	0	106.8	E141 I181 K182 I189	E141-I191 HydrophobicContact CG-CD1 4.23Å; I181-I191 WeakPolarHBondContact CA-O 3.35Å; I181-I191 HydrophobicContact CB-CB 4.17Å; I181-I191 HydrophobicContact CB-CG2 3.94Å; I181-I191 HydrophobicContact CD1-CG2 4.37Å; I181-I191 HydrophobicContact CG2-CB 4.48Å; I181-I191 HydrophobicContact CG2-CG2 4.16Å; I181-I191 PolarHBondContact N-O 2.97Å; K182-I191 HydrophobicContact CB-CB 3.88Å; K182-I191 HydrophobicContact CB-CD1 3.91Å; K182-I191 HydrophobicContact CB-CG1 3.88Å; K182-I191 HydrophobicContact CD-CD1 3.91Å; K182-I191 HydrophobicContact CD-CG1 4.37Å; K182-I191 PolarHBondContact N-O 2.97Å; K182-I191 VanDerWaalsContact N-O 3.12Å; K182-I191 PolarHBondContact O-N 3.11Å; K182-I191 VanDerWaalsContact O-N 3.14Å; I189-I191 VanDerWaalsContact CG2-O 3.3Å; I189-I191 WeakPolarHBondContact CG2-O 3.5Å
192	A	97.1	Very high	96.1	Very high	50 Å²	50	83.5 Å²	83.5	41%	0.413	43%	0.432	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	153.5	175.4	0	0	0	0	0	110.6	S179 I189	S179-A192 CarbonylContact O-C 3.59Å; S179-A192 WeakPolarHBondContact O-CA 3.35Å; I189-A192 HydrophobicContact CG2-CB 3.97Å
193	S	97.1	Very high	95.9	Very high	18 Å²	18	87.9 Å²	87.9	13%	0.126	46%	0.458	C	S	.	.	P	Polyproline II helix	trans	-69.2	145.4	170.8	66.4	0	0	0	0	111.2	G177 G178 S179	G177-S193 WeakPolarHBondContact CA-O 3.47Å; G177-S193 WeakPolarHBondContact CA-OG 3.46Å; G178-S193 PolarHBondContact N-O 3.21Å; G178-S193 PolarHBondContact N-OG 3.17Å; S179-S193 VanDerWaalsContact CB-OG 3.25Å; S179-S193 WeakPolarHBondContact CB-OG 3.41Å; S179-S193 PolarHBondContact N-OG 3.17Å; S179-S193 PolarHBondContact O-N 3.15Å
194	E	97.2	Very high	95.8	Very high	137 Å²	137	89.7 Å²	89.7	64%	0.64	47%	0.465	S	S	*	.	P	Polyproline II helix	trans	-74.8	150.9	172.6	-61.5	178.5	173.7	0	0	111.2	R196	E194-R196 PolarHBondContact O-NH1 3.26Å
195	E	98	Very high	96	Very high	138 Å²	138	89.5 Å²	89.5	65%	0.645	46%	0.461	S	S	*	.	P	Polyproline II helix	trans	-61.3	149.6	168.7	-169.5	-179.4	-178.6	0	0	110.8	Q175	Q175-E195 WeakPolarHBondContact O-CA 3.35Å; Q175-E195 VanDerWaalsContact O-CG 3.31Å; Q175-E195 WeakPolarHBondContact O-CG 3.45Å
196	R	98.3	Very high	96.3	Very high	44 Å²	44	81.8 Å²	81.8	17%	0.166	43%	0.427	C	S	.	.	P	Polyproline II helix	trans	-103.2	138.6	175.3	-58.4	-65.7	-172.1	-104.5	5.2	110.3	E143 I174 Q175 E194 V198 I207 E209	E143-R196 IonicContact OE1-NH2 3.64Å; I174-R196 VanDerWaalsContact O-CG 3.22Å; I174-R196 WeakPolarHBondContact O-CG 3.34Å; Q175-R196 PolarHBondContact O-N 2.8Å; E194-R196 PolarHBondContact O-NH1 3.26Å; R196-V198 PolarHBondContact O-N 2.94Å; R196-I207 HydrophobicContact CB-CB 4.09Å; R196-I207 HydrophobicContact CB-CD1 4.43Å; R196-I207 HydrophobicContact CG-CD1 4.38Å; R196-E209 IonicContact NE-OE1 3.46Å; R196-E209 PolarHBondContact NE-OE1 3.38Å; R196-E209 IonicContact NE-OE2 3.46Å
197	E	98.6	Very high	96.7	Very high	79 Å²	79	75.7 Å²	75.7	37%	0.369	39%	0.394	S	S	.	.	P	Polyproline II helix	trans	-58	133	173.3	-179.8	-169.7	152.1	0	0	110	R199 I207 M208	E197-R199 IonicContact OE1-CZ 2.74Å; E197-R199 IonicContact OE1-NE 3.32Å; E197-R199 PolarHBondContact OE1-NE 2.99Å; E197-R199 IonicContact OE1-NH2 3.45Å; E197-R199 PolarHBondContact OE1-NH2 2.94Å; E197-I207 CarbonylContact O-C 3.52Å; E197-I207 VanDerWaalsContact O-CA 3.25Å; E197-I207 WeakPolarHBondContact O-CA 3.32Å; E197-M208 HydrophobicContact CB-CB 3.95Å; E197-M208 HydrophobicContact CB-CE 4.24Å; E197-M208 PolarHBondContact O-N 3.33Å
198	V	98.7	Very high	97.1	Very high	55 Å²	55	75.4 Å²	75.4	33%	0.333	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	136.2	175.6	-178.3	0	0	0	0	109.7	Y170 Q175 R196 H205 Y206 I207	Y170-V198 HydrophobicContact CD2-CG1 4.12Å; Y170-V198 HydrophobicContact CD2-CG2 4.48Å; Y170-V198 HydrophobicContact CE2-CG1 3.8Å; Y170-V198 HydrophobicContact CE2-CG2 4.47Å; Q175-V198 HydrophobicContact CG-CG2 3.71Å; R196-V198 PolarHBondContact O-N 2.94Å; V198-H205 HydrophobicContact CG1-CB 4.36Å; V198-Y206 CarbonylContact C-O 3.45Å; V198-Y206 WeakPolarHBondContact CA-O 2.98Å; V198-I207 HydrophobicContact CG2-CG2 4.32Å
199	R	98.6	Very high	97.4	Very high	117 Å²	117	73.1 Å²	73.1	44%	0.442	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	144.5	170.8	-163.9	175.9	-61	177.9	3.9	110.9	F165 E197 F201 Y206	F165-R199 HydrophobicContact CD1-CB 4.14Å; F165-R199 HydrophobicContact CE1-CB 3.52Å; F165-R199 HydrophobicContact CZ-CB 3.99Å; E197-R199 IonicContact OE1-CZ 2.74Å; E197-R199 IonicContact OE1-NE 3.32Å; E197-R199 PolarHBondContact OE1-NE 2.99Å; E197-R199 IonicContact OE1-NH2 3.45Å; E197-R199 PolarHBondContact OE1-NH2 2.94Å; R199-F201 HydrophobicContact CB-CD2 4.49Å; R199-F201 HydrophobicContact CB-CE2 3.84Å; R199-F201 HydrophobicContact CB-CZ 4.39Å; R199-F201 VanDerWaalsContact CD-CZ 3.46Å; R199-F201 HydrophobicContact CG-CD2 4.47Å; R199-F201 HydrophobicContact CG-CE2 3.87Å; R199-F201 HydrophobicContact CG-CZ 4.03Å; R199-Y206 PolarHBondContact N-O 2.83Å; R199-Y206 PolarHBondContact O-N 3.39Å
200	E	98.2	Very high	97.6	Very high	102 Å²	102	74.9 Å²	74.9	48%	0.477	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	135.8	176.3	-162.5	-178.7	129.6	0	0	110.8	D203 R204 H205	E200-D203 WeakPolarHBondContact OE1-CA 3.39Å; E200-R204 CarbonylContact C-O 3.56Å; E200-R204 WeakPolarHBondContact CA-O 3.41Å; E200-R204 WeakPolarHBondContact CG-O 3.45Å; E200-H205 IonicContact OE2-CE1 3.53Å; E200-H205 IonicContact OE2-NE2 3.88Å
201	F	97.8	Very high	97.6	Very high	82 Å²	82	74.2 Å²	74.2	36%	0.36	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	125.4	171.9	-61	-89.5	0	0	0	108.3	F165 R199 D203 R204 Y206	F165-F201 HydrophobicContact CB-CE2 4.13Å; F165-F201 AromaticContact CD1-CE2 3.97Å; F165-F201 HydrophobicContact CD1-CE2 3.97Å; F165-F201 HydrophobicContact CD2-CE2 4.03Å; F165-F201 HydrophobicContact CD2-CZ 4.06Å; F165-F201 HydrophobicContact CE1-CE2 4.41Å; F165-F201 HydrophobicContact CE2-CE2 4.47Å; F165-F201 HydrophobicContact CE2-CZ 4.32Å; F165-F201 AromaticContact CG-CE2 3.76Å; F165-F201 HydrophobicContact CG-CE2 3.76Å; F165-F201 HydrophobicContact CG-CZ 4.27Å; R199-F201 HydrophobicContact CB-CD2 4.49Å; R199-F201 HydrophobicContact CB-CE2 3.84Å; R199-F201 HydrophobicContact CB-CZ 4.39Å; R199-F201 VanDerWaalsContact CD-CZ 3.46Å; R199-F201 HydrophobicContact CG-CD2 4.47Å; R199-F201 HydrophobicContact CG-CE2 3.87Å; R199-F201 HydrophobicContact CG-CZ 4.03Å; F201-D203 PolarHBondContact O-N 3.31Å; F201-R204 PolarHBondContact N-O 2.94Å; F201-R204 PolarHBondContact O-N 2.97Å; F201-R204 VanDerWaalsContact O-N 3.16Å; F201-Y206 HydrophobicContact CB-CD2 4.14Å; F201-Y206 HydrophobicContact CB-CE2 3.98Å; F201-Y206 AromaticContact CD2-CD2 3.75Å; F201-Y206 HydrophobicContact CD2-CD2 3.75Å; F201-Y206 HydrophobicContact CD2-CE2 4.4Å; F201-Y206 HydrophobicContact CD2-CG 4.17Å; F201-Y206 HydrophobicContact CG-CD2 4.44Å
202	N	95.3	Very high	97.7	Very high	157 Å²	157	72.1 Å²	72.1	84%	0.84	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.6	53.5	178.8	-51.1	-41	0	0	0	112.5	R204	N202-R204 PolarHBondContact O-N 3.46Å; N202-R204 VanDerWaalsContact O-N 3.12Å
203	D	93.3	Very high	97.8	Very high	152 Å²	152	73.9 Å²	73.9	81%	0.813	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.4	18.8	178.2	-49.9	-52.7	0	0	0	115	E200 F201	E200-D203 WeakPolarHBondContact OE1-CA 3.39Å; F201-D203 PolarHBondContact O-N 3.31Å
204	R	94.6	Very high	97.9	Very high	63 Å²	63	73.1 Å²	73.1	24%	0.238	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	140.8	179.4	-173.6	169.8	172.8	-150.5	-6.9	111.4	P167 E200 F201 N202 Y206 A440	P167-R204 VanDerWaalsContact CB-NH2 3.26Å; E200-R204 CarbonylContact C-O 3.56Å; E200-R204 WeakPolarHBondContact CA-O 3.41Å; E200-R204 WeakPolarHBondContact CG-O 3.45Å; F201-R204 PolarHBondContact N-O 2.94Å; F201-R204 PolarHBondContact O-N 2.97Å; F201-R204 VanDerWaalsContact O-N 3.16Å; N202-R204 PolarHBondContact O-N 3.46Å; N202-R204 VanDerWaalsContact O-N 3.12Å; R204-Y206 HydrophobicContact CB-CE2 3.83Å; R204-Y206 HydrophobicContact CG-CE2 3.9Å; R204-Y206 WeakPolarHBondContact O-CD2 3.4Å; R204-Y206 VanDerWaalsContact O-CE2 3.3Å; R204-Y206 WeakPolarHBondContact O-CE2 3.06Å; R204-A440 VanDerWaalsContact NH2-C 3.34Å; R204-A440 PolarHBondContact NH2-O 3.2Å
205	H	97.7	Very high	97.9	Very high	65 Å²	65	68.9 Å²	68.9	30%	0.301	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	139.2	-178.1	-67.4	68	0	0	0	111.5	Y170 V198 E200	Y170-H205 HydrophobicContact CD1-CB 3.83Å; Y170-H205 HydrophobicContact CD2-CB 3.61Å; Y170-H205 HydrophobicContact CE1-CB 3.6Å; Y170-H205 AromaticContact CE1-CG 3.92Å; Y170-H205 HydrophobicContact CE2-CB 3.38Å; Y170-H205 AromaticContact CE2-CD2 3.63Å; Y170-H205 AromaticContact CE2-CG 3.71Å; Y170-H205 HydrophobicContact CG-CB 3.83Å; Y170-H205 AromaticContact CZ-CD2 3.52Å; Y170-H205 AromaticContact CZ-CG 3.4Å; Y170-H205 VanDerWaalsContact CZ-CG 3.4Å; Y170-H205 PolarHBondContact OH-CD2 2.97Å; V198-H205 HydrophobicContact CG1-CB 4.36Å; E200-H205 IonicContact OE2-CE1 3.53Å; E200-H205 IonicContact OE2-NE2 3.88Å
206	Y	98.6	Very high	98	Very high	48 Å²	48	63.1 Å²	63.1	19%	0.188	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	152.7	177.9	-63.4	-105.6	0	0	0	109.4	T166 P167 V198 R199 F201 R204	T166-Y206 CarbonylContact O-C 3.59Å; T166-Y206 WeakPolarHBondContact O-CA 3.46Å; P167-Y206 HydrophobicContact CB-CD1 4.05Å; P167-Y206 HydrophobicContact CB-CE1 4.02Å; P167-Y206 HydrophobicContact CG-CD1 4.22Å; P167-Y206 HydrophobicContact CG-CE1 3.94Å; V198-Y206 CarbonylContact C-O 3.45Å; V198-Y206 WeakPolarHBondContact CA-O 2.98Å; R199-Y206 PolarHBondContact N-O 2.83Å; R199-Y206 PolarHBondContact O-N 3.39Å; F201-Y206 HydrophobicContact CB-CD2 4.14Å; F201-Y206 HydrophobicContact CB-CE2 3.98Å; F201-Y206 AromaticContact CD2-CD2 3.75Å; F201-Y206 HydrophobicContact CD2-CD2 3.75Å; F201-Y206 HydrophobicContact CD2-CE2 4.4Å; F201-Y206 HydrophobicContact CD2-CG 4.17Å; F201-Y206 HydrophobicContact CG-CD2 4.44Å; R204-Y206 HydrophobicContact CB-CE2 3.83Å; R204-Y206 HydrophobicContact CG-CE2 3.9Å; R204-Y206 WeakPolarHBondContact O-CD2 3.4Å; R204-Y206 VanDerWaalsContact O-CE2 3.3Å; R204-Y206 WeakPolarHBondContact O-CE2 3.06Å
207	I	98.7	Very high	98	Very high	0 Å²	0	61 Å²	61	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	143.7	172.9	67.8	174	0	0	0	110.8	F165 T166 T168 Y170 I174 Q175 R196 E197 V198 E209	F165-I207 WeakPolarHBondContact CA-O 3.39Å; T166-I207 HydrophobicContact CG2-CG1 3.96Å; T166-I207 PolarHBondContact N-O 2.85Å; T166-I207 PolarHBondContact O-N 3.07Å; T168-I207 WeakPolarHBondContact O-CD1 3.33Å; Y170-I207 HydrophobicContact CD2-CG2 4.31Å; I174-I207 HydrophobicContact CG2-CD1 4.06Å; Q175-I207 HydrophobicContact CB-CG2 3.8Å; Q175-I207 HydrophobicContact CG-CG2 3.45Å; Q175-I207 VanDerWaalsContact CG-CG2 3.45Å; R196-I207 HydrophobicContact CB-CB 4.09Å; R196-I207 HydrophobicContact CB-CD1 4.43Å; R196-I207 HydrophobicContact CG-CD1 4.38Å; E197-I207 CarbonylContact O-C 3.52Å; E197-I207 VanDerWaalsContact O-CA 3.25Å; E197-I207 WeakPolarHBondContact O-CA 3.32Å; V198-I207 HydrophobicContact CG2-CG2 4.32Å; I207-E209 HydrophobicContact CD1-CG 4.48Å; I207-E209 HydrophobicContact CG1-CG 4.42Å
208	M	98.8	Very high	98	Very high	42 Å²	42	57.2 Å²	57.2	21%	0.207	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	127.6	173.6	-170.2	-172.9	62	0	0	110.4	A163 F164 F165 E197	A163-M208 HydrophobicContact CB-CG 3.94Å; A163-M208 HydrophobicContact CB-SD 3.95Å; F164-M208 WeakPolarHBondContact O-CA 3.44Å; F165-M208 HydrophobicContact CD1-CB 4.15Å; F165-M208 HydrophobicContact CE1-CB 3.67Å; F165-M208 HydrophobicContact CE1-CG 4.43Å; F165-M208 HydrophobicContact CE2-CG 4.43Å; F165-M208 HydrophobicContact CZ-CB 3.88Å; F165-M208 HydrophobicContact CZ-CG 4.19Å; E197-M208 HydrophobicContact CB-CB 3.95Å; E197-M208 HydrophobicContact CB-CE 4.24Å; E197-M208 PolarHBondContact O-N 3.33Å
209	E	98.8	Very high	98	Very high	2 Å²	2	54.6 Å²	54.6	1%	0.009	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	137.6	174.4	-77	-71.3	171.3	0	0	110.6	T149 R153 A163 F164 T166 R196 I207	T149-E209 HydrophobicContact CG2-CB 4.09Å; T149-E209 HydrophobicContact CG2-CG 3.53Å; R153-E209 WeakPolarHBondContact CD-OE2 3.34Å; R153-E209 HydrophobicContact CG-CB 4.13Å; R153-E209 IonicContact CZ-OE2 2.68Å; R153-E209 IonicContact NE-OE2 3.57Å; R153-E209 IonicContact NH1-OE2 2.69Å; A163-E209 CarbonylContact C-O 3.6Å; A163-E209 WeakPolarHBondContact CA-O 3.48Å; A163-E209 WeakPolarHBondContact CB-O 3.38Å; F164-E209 HydrophobicContact CE1-CB 3.94Å; F164-E209 HydrophobicContact CE2-CB 4.31Å; F164-E209 HydrophobicContact CZ-CB 3.79Å; F164-E209 PolarHBondContact N-O 3.28Å; F164-E209 PolarHBondContact O-N 3.24Å; T166-E209 HydrophobicContact CG2-CG 3.97Å; R196-E209 IonicContact NE-OE1 3.46Å; R196-E209 PolarHBondContact NE-OE1 3.38Å; R196-E209 IonicContact NE-OE2 3.46Å; I207-E209 HydrophobicContact CD1-CG 4.48Å; I207-E209 HydrophobicContact CG1-CG 4.42Å
210	K	98.8	Very high	98	Very high	121 Å²	121	49.6 Å²	49.6	53%	0.526	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	142.1	-177.1	-65.5	176.7	-176.5	168.8	0	110.7	R153	R153-K210 VanDerWaalsContact CG-O 3.22Å; R153-K210 WeakPolarHBondContact CG-O 3.46Å; R153-K210 PolarHBondContact NE-O 2.97Å
211	A	98.8	Very high	98.1	Very high	30 Å²	30	44.9 Å²	44.9	25%	0.248	23%	0.226	C	C	.	.			trans	-57.9	153	175.8	0	0	0	0	0	113.2	R153 A156 I161 P162	R153-A211 WeakPolarHBondContact O-CA 3.46Å; A156-A211 HydrophobicContact CB-CB 4.07Å; I161-A211 WeakPolarHBondContact O-CB 3.46Å; P162-A211 PolarHBondContact O-N 3.42Å
212	I	98.8	Very high	98.1	Very high	12 Å²	12	45.1 Å²	45.1	6%	0.062	23%	0.225	C	C	.	.			trans	-115.4	129.8	172.4	-66.2	167.2	0	0	0	108.2	L69 V97 I121 L150 R153 I154	L69-I212 HydrophobicContact CD2-CG2 4.03Å; V97-I212 HydrophobicContact CG1-CD1 4.41Å; V97-I212 HydrophobicContact CG1-CG2 4.13Å; V97-I212 HydrophobicContact CG2-CG2 4.04Å; I121-I212 HydrophobicContact CG2-CD1 4.28Å; L150-I212 HydrophobicContact CD1-CD1 3.91Å; R153-I212 HydrophobicContact CB-CB 4.37Å; R153-I212 HydrophobicContact CB-CD1 3.86Å; R153-I212 HydrophobicContact CB-CG1 3.94Å; R153-I212 PolarHBondContact O-N 2.95Å; I154-I212 HydrophobicContact CG1-CB 4.32Å; I154-I212 HydrophobicContact CG1-CG2 4.47Å
213	T	98.9	Very high	98.3	Very high	88 Å²	88	39.2 Å²	39.2	54%	0.54	19%	0.192	S	C	.	.			trans	-126.3	143.7	169.2	57	0	0	0	0	110	A246	T213-A246 CarbonylContact C-O 3.38Å; T213-A246 WeakPolarHBondContact CA-O 3.32Å
214	G	98.8	Very high	98.6	Very high	2 Å²	2	32 Å²	32	2%	0.021	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	157.7	172.9	0	0	0	0	0	113.1	F216 A246 A247 K248	G214-F216 VanDerWaalsContact C-N 3.34Å; G214-A246 PolarHBondContact N-O 2.86Å; G214-A247 VanDerWaalsContact O-CA 3.23Å; G214-A247 WeakPolarHBondContact O-CA 3.34Å; G214-K248 PolarHBondContact O-N 3.26Å; G214-K248 VanDerWaalsContact O-N 3.15Å
215	D	98.9	Very high	98.7	Very high	48 Å²	48	29.2 Å²	29.2	26%	0.257	14%	0.143	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	-41.2	160.6	-62.2	-58	0	0	0	109.4	T67 K248 T249	T67-D215 PolarHBondContact N-OD2 2.76Å; T67-D215 PolarHBondContact O-N 2.76Å; D215-K248 WeakPolarHBondContact O-CB 3.32Å; D215-K248 PolarHBondContact O-N 2.84Å; D215-K248 IonicContact OD1-NZ 2.99Å; D215-K248 PolarHBondContact OD1-NZ 2.64Å; D215-T249 PolarHBondContact O-N 2.92Å; D215-T249 VanDerWaalsContact O-N 3.07Å
216	F	98.9	Very high	98.7	Very high	16 Å²	16	31.3 Å²	31.3	7%	0.07	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	153.6	176.5	-66.7	-96.3	0	0	0	111.7	I62 T67 I68 L69 G214 T249 I251	I62-F216 HydrophobicContact CB-CD2 4.45Å; I62-F216 HydrophobicContact CB-CE2 4.36Å; I62-F216 HydrophobicContact CD1-CB 4.26Å; I62-F216 HydrophobicContact CD1-CD1 4.11Å; I62-F216 HydrophobicContact CD1-CG 4.05Å; I62-F216 HydrophobicContact CG1-CB 4.48Å; I62-F216 HydrophobicContact CG1-CD1 3.73Å; I62-F216 HydrophobicContact CG1-CD2 3.87Å; I62-F216 HydrophobicContact CG1-CE1 3.79Å; I62-F216 HydrophobicContact CG1-CE2 3.96Å; I62-F216 HydrophobicContact CG1-CG 3.76Å; I62-F216 HydrophobicContact CG1-CZ 3.91Å; I62-F216 HydrophobicContact CG2-CD2 4.26Å; I62-F216 HydrophobicContact CG2-CE2 4.49Å; T67-F216 PolarHBondContact O-N 2.76Å; I68-F216 CarbonylContact C-O 3.59Å; I68-F216 WeakPolarHBondContact CA-O 3.36Å; I68-F216 HydrophobicContact CG2-CB 4.45Å; L69-F216 PolarHBondContact N-O 2.77Å; G214-F216 VanDerWaalsContact C-N 3.34Å; F216-T249 CarbonylContact C-O 3.52Å; F216-T249 VanDerWaalsContact CA-O 3.23Å; F216-T249 WeakPolarHBondContact CA-O 3.4Å; F216-T249 HydrophobicContact CD1-CG2 3.83Å; F216-T249 HydrophobicContact CE1-CG2 3.82Å; F216-I251 HydrophobicContact CD1-CD1 3.93Å
217	A	98.9	Very high	98.5	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	129	167	0	0	0	0	0	109.9	L69 I219 A247 T249 T250 I251	L69-A217 HydrophobicContact CB-CB 4.08Å; L69-A217 CarbonylContact O-C 3.58Å; L69-A217 VanDerWaalsContact O-CA 3.3Å; L69-A217 WeakPolarHBondContact O-CA 3.4Å; A217-I219 HydrophobicContact CB-CD1 4.16Å; A217-I219 HydrophobicContact CB-CG1 4.22Å; A217-A247 HydrophobicContact CB-CB 3.56Å; A217-T249 PolarHBondContact N-O 3.45Å; A217-T250 HydrophobicContact CB-CG2 4.3Å; A217-I251 PolarHBondContact O-N 3.31Å
218	L	98.9	Very high	98.5	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	118.8	172.9	-52.6	-174.5	0	0	0	108.6	V59 I62 I68 L69 V70 G71 P79 L82 L86 I251	V59-L218 HydrophobicContact CG1-CD2 4.16Å; I62-L218 HydrophobicContact CD1-CD2 4.34Å; I68-L218 HydrophobicContact CG2-CD1 4.13Å; I68-L218 HydrophobicContact CG2-CG 3.84Å; L69-L218 PolarHBondContact O-N 2.83Å; V70-L218 HydrophobicContact CG2-CD1 4.5Å; G71-L218 PolarHBondContact N-O 3.01Å; P79-L218 HydrophobicContact CB-CB 4.35Å; P79-L218 HydrophobicContact CG-CB 3.89Å; L82-L218 HydrophobicContact CB-CD1 4.33Å; L82-L218 HydrophobicContact CB-CD2 4.44Å; L82-L218 HydrophobicContact CD1-CB 4.29Å; L82-L218 HydrophobicContact CD1-CD2 4.32Å; L86-L218 HydrophobicContact CD2-CD1 4.08Å; L218-I251 HydrophobicContact CD2-CB 4.13Å; L218-I251 HydrophobicContact CD2-CD1 3.91Å; L218-I251 HydrophobicContact CD2-CG1 4.49Å
219	I	98.9	Very high	98.5	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	137.8	-166.7	-55.8	-60.7	0	0	0	109.9	A217 F232 N240 M243 C244 T250 I251 V252 E253	A217-I219 HydrophobicContact CB-CD1 4.16Å; A217-I219 HydrophobicContact CB-CG1 4.22Å; I219-F232 HydrophobicContact CG2-CE1 4.14Å; I219-F232 HydrophobicContact CG2-CZ 4.42Å; I219-N240 WeakPolarHBondContact CA-OD1 3.36Å; I219-N240 HydrophobicContact CG2-CB 3.83Å; I219-M243 HydrophobicContact CD1-CB 3.56Å; I219-C244 WeakPolarHBondContact CG2-SG 3.41Å; I219-T250 HydrophobicContact CG1-CG2 3.92Å; I219-I251 PolarHBondContact N-O 2.96Å; I219-V252 HydrophobicContact CB-CB 4.47Å; I219-V252 HydrophobicContact CB-CG1 4.34Å; I219-V252 HydrophobicContact CB-CG2 4.1Å; I219-V252 HydrophobicContact CG2-CG1 4.13Å; I219-V252 HydrophobicContact CG2-CG2 4.32Å; I219-V252 CarbonylContact O-C 3.59Å; I219-V252 WeakPolarHBondContact O-CA 3.36Å; I219-E253 WeakPolarHBondContact O-CG 3.41Å; I219-E253 PolarHBondContact O-N 3.16Å
220	K	98.8	Very high	98.5	Very high	12 Å²	12	28.3 Å²	28.3	5%	0.052	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	123.2	167.4	177.3	60.8	177.6	65.1	0	110.7	G77 I78 P79 F232 N240 E253 E255 Y284	G77-K220 WeakPolarHBondContact O-CB 3.09Å; I78-K220 WeakPolarHBondContact O-CB 3.46Å; P79-K220 HydrophobicContact CB-CB 4.34Å; K220-F232 WeakPolarHBondContact O-CD1 3.21Å; K220-F232 WeakPolarHBondContact O-CE1 3.27Å; K220-N240 PolarHBondContact N-OD1 3.33Å; K220-N240 VanDerWaalsContact O-CG 3.28Å; K220-N240 PolarHBondContact O-OD1 3.27Å; K220-E253 HydrophobicContact CB-CG 4.42Å; K220-E253 HydrophobicContact CD-CG 3.86Å; K220-E253 WeakPolarHBondContact CD-OE1 3.21Å; K220-E255 IonicContact NZ-OE1 2.77Å; K220-E255 PolarHBondContact NZ-OE1 3.49Å; K220-Y284 HydrophobicContact CD-CE1 3.8Å
221	A	98.8	Very high	98.5	Very high	2 Å²	2	23 Å²	23	2%	0.017	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	166.9	169.4	0	0	0	0	0	111.6	I230 F232 V252 E253 V254	A221-I230 HydrophobicContact CB-CB 4.04Å; A221-I230 HydrophobicContact CB-CD1 3.91Å; A221-I230 HydrophobicContact CB-CG1 4.38Å; A221-F232 HydrophobicContact CB-CD1 3.85Å; A221-F232 HydrophobicContact CB-CE1 3.67Å; A221-V252 HydrophobicContact CB-CG1 3.85Å; A221-E253 PolarHBondContact N-O 3.26Å; A221-V254 HydrophobicContact CB-CG1 3.99Å; A221-V254 WeakPolarHBondContact O-CA 3.43Å
222	W	98.8	Very high	98.5	Very high	87 Å²	87	22 Å²	22	33%	0.33	11%	0.108	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	-56.6	-179.8	-179.8	39.9	0	0	0	110.2	V231 R233 E255 E256	W222-V231 WeakPolarHBondContact CB-O 3.36Å; W222-V231 HydrophobicContact CE3-CG2 4.21Å; W222-V231 PolarHBondContact N-O 3.42Å; W222-R233 HydrophobicContact CB-CB 3.72Å; W222-R233 HydrophobicContact CD2-CB 3.96Å; W222-R233 HydrophobicContact CD2-CG 4.39Å; W222-R233 HydrophobicContact CE3-CB 4.23Å; W222-R233 HydrophobicContact CG-CB 3.74Å; W222-R233 HydrophobicContact CG-CG 4.48Å; W222-E255 WeakPolarHBondContact O-CB 3.49Å; W222-E255 PolarHBondContact O-N 2.78Å; W222-E256 PolarHBondContact O-N 2.83Å
223	K	98.8	Very high	98.5	Very high	34 Å²	34	24.7 Å²	24.7	15%	0.148	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	151.8	179.7	-50	-163	-173.6	-158.5	0	111.7	I230 V231 E256 V258 F263	K223-I230 VanDerWaalsContact O-CA 3.29Å; K223-I230 WeakPolarHBondContact O-CA 3.3Å; K223-V231 HydrophobicContact CB-CG2 3.92Å; K223-V231 HydrophobicContact CG-CG2 4.44Å; K223-V231 PolarHBondContact N-O 2.94Å; K223-V231 PolarHBondContact O-N 3.34Å; K223-E256 VanDerWaalsContact CA-O 3.24Å; K223-E256 WeakPolarHBondContact CA-O 3.43Å; K223-E256 HydrophobicContact CD-CB 4.24Å; K223-E256 WeakPolarHBondContact CE-OE2 3.39Å; K223-E256 HydrophobicContact CG-CB 4.11Å; K223-E256 IonicContact NZ-OE1 3.94Å; K223-E256 PolarHBondContact NZ-OE1 2.83Å; K223-E256 IonicContact NZ-OE2 3.6Å; K223-E256 PolarHBondContact NZ-OE2 2.8Å; K223-V258 HydrophobicContact CD-CG1 3.97Å; K223-F263 HydrophobicContact CB-CE1 4.26Å; K223-F263 HydrophobicContact CB-CZ 3.69Å; K223-F263 HydrophobicContact CD-CE1 4.37Å; K223-F263 HydrophobicContact CD-CZ 4.5Å
224	A	98.8	Very high	98.5	Very high	0 Å²	0	23 Å²	23	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	145	164.1	0	0	0	0	0	109.9	N229 I230 V254 E256 V257 V258 I278	A224-N229 CarbonylContact C-O 3.51Å; A224-N229 WeakPolarHBondContact CA-O 3.36Å; A224-I230 HydrophobicContact CB-CG2 3.78Å; A224-V254 HydrophobicContact CB-CB 4.45Å; A224-V254 HydrophobicContact CB-CG1 3.87Å; A224-V254 HydrophobicContact CB-CG2 4.06Å; A224-E256 PolarHBondContact N-O 2.97Å; A224-V257 CarbonylContact O-C 3.46Å; A224-V257 VanDerWaalsContact O-CA 3.27Å; A224-V257 WeakPolarHBondContact O-CA 3.48Å; A224-V258 WeakPolarHBondContact O-CG2 3.46Å; A224-V258 PolarHBondContact O-N 2.72Å; A224-I278 HydrophobicContact CB-CD1 4.13Å; A224-I278 HydrophobicContact CB-CG2 4.13Å
225	D	98.2	Very high	98.5	Very high	4 Å²	4	22.9 Å²	22.9	2%	0.021	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	164.9	162.6	72.1	11.8	0	0	0	110.5	F51 A227 G228 N229 V258 F263	F51-D225 WeakPolarHBondContact CZ-O 3.26Å; D225-A227 PolarHBondContact O-N 2.85Å; D225-A227 VanDerWaalsContact OD1-C 3.29Å; D225-A227 WeakPolarHBondContact OD1-CA 3.4Å; D225-A227 VanDerWaalsContact OD1-CB 3.24Å; D225-A227 WeakPolarHBondContact OD1-CB 3.06Å; D225-A227 PolarHBondContact OD1-N 2.79Å; D225-G228 PolarHBondContact O-N 3.09Å; D225-G228 PolarHBondContact OD1-N 2.72Å; D225-N229 PolarHBondContact N-O 3.46Å; D225-N229 WeakPolarHBondContact OD1-CB 3.5Å; D225-N229 PolarHBondContact OD1-N 3.03Å; D225-N229 PolarHBondContact OD1-ND2 3.02Å; D225-N229 PolarHBondContact OD2-ND2 2.91Å; D225-V258 CarbonylContact C-O 3.46Å; D225-V258 VanDerWaalsContact CA-O 3.29Å; D225-V258 WeakPolarHBondContact CA-O 3.44Å; D225-V258 HydrophobicContact CB-CG2 4.05Å; D225-F263 HydrophobicContact CB-CD2 4.13Å; D225-F263 HydrophobicContact CB-CE2 3.83Å
226	K	96.6	Very high	98.5	Very high	110 Å²	110	20.9 Å²	20.9	48%	0.478	9%	0.092	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-6.3	173.2	-71.8	172.1	-176.7	168.9	0	113.5	R47 V257 V258 D259 V260	R47-K226 PolarHBondContact NH1-O 3.18Å; K226-V257 HydrophobicContact CG-CG1 4.1Å; K226-V258 PolarHBondContact N-O 2.91Å; K226-D259 WeakPolarHBondContact CD-OD1 3.36Å; K226-D259 VanDerWaalsContact CE-OD1 3.25Å; K226-D259 WeakPolarHBondContact CE-OD1 3.29Å; K226-D259 IonicContact NZ-OD1 2.8Å; K226-D259 PolarHBondContact NZ-OD1 2.88Å; K226-V260 HydrophobicContact CB-CG2 3.99Å
227	A	95.6	Very high	98.4	Very high	7 Å²	7	21.7 Å²	21.7	6%	0.058	9%	0.094	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.3	-12.9	172	0	0	0	0	0	113.7	R47 D225 V260 S272	R47-A227 VanDerWaalsContact CD-CA 3.46Å; R47-A227 VanDerWaalsContact CZ-CB 3.44Å; D225-A227 PolarHBondContact O-N 2.85Å; D225-A227 VanDerWaalsContact OD1-C 3.29Å; D225-A227 WeakPolarHBondContact OD1-CA 3.4Å; D225-A227 VanDerWaalsContact OD1-CB 3.24Å; D225-A227 WeakPolarHBondContact OD1-CB 3.06Å; D225-A227 PolarHBondContact OD1-N 2.79Å; A227-V260 HydrophobicContact CB-CG1 4.33Å; A227-V260 HydrophobicContact CB-CG2 3.95Å; A227-S272 WeakPolarHBondContact O-CB 3.41Å; A227-S272 PolarHBondContact O-OG 3.5Å
228	G	97.4	Very high	98.4	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	9%	0.094	C	C	.	.	S	Bend	trans	94.8	3.6	-178.8	0	0	0	0	0	114.1	D225 S272 I278	D225-G228 PolarHBondContact O-N 3.09Å; D225-G228 PolarHBondContact OD1-N 2.72Å; G228-S272 WeakPolarHBondContact O-CA 3.4Å; G228-I278 VanDerWaalsContact CA-CD1 3.49Å
229	N	98.4	Very high	98.4	Very high	22 Å²	22	21.7 Å²	21.7	12%	0.118	9%	0.094	C	C	.	.			trans	-71.7	141.1	173.3	-57.4	-55.5	0	0	0	108.9	A224 D225 I268 S272	A224-N229 CarbonylContact C-O 3.51Å; A224-N229 WeakPolarHBondContact CA-O 3.36Å; D225-N229 PolarHBondContact N-O 3.46Å; D225-N229 WeakPolarHBondContact OD1-CB 3.5Å; D225-N229 PolarHBondContact OD1-N 3.03Å; D225-N229 PolarHBondContact OD1-ND2 3.02Å; D225-N229 PolarHBondContact OD2-ND2 2.91Å; N229-I268 HydrophobicContact CB-CD1 3.91Å; N229-I268 HydrophobicContact CB-CG1 4.14Å; N229-I268 HydrophobicContact CB-CG2 3.87Å; N229-S272 PolarHBondContact OD1-N 2.98Å
230	I	98.8	Very high	98.4	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	151.8	-178.4	64.9	173.4	0	0	0	112.4	A221 K223 A224 F232 V252 H269 I270 V275	A221-I230 HydrophobicContact CB-CB 4.04Å; A221-I230 HydrophobicContact CB-CD1 3.91Å; A221-I230 HydrophobicContact CB-CG1 4.38Å; K223-I230 VanDerWaalsContact O-CA 3.29Å; K223-I230 WeakPolarHBondContact O-CA 3.3Å; A224-I230 HydrophobicContact CB-CG2 3.78Å; I230-F232 HydrophobicContact CD1-CE1 4.31Å; I230-F232 HydrophobicContact CD1-CZ 3.87Å; I230-V252 HydrophobicContact CD1-CG1 3.98Å; I230-V252 HydrophobicContact CD1-CG2 4.21Å; I230-V252 HydrophobicContact CG2-CG1 4.32Å; I230-H269 PolarHBondContact O-N 3.45Å; I230-I270 HydrophobicContact CD1-CB 3.88Å; I230-I270 HydrophobicContact CD1-CG1 4.09Å; I230-I270 HydrophobicContact CD1-CG2 4.2Å; I230-I270 HydrophobicContact CG1-CB 3.53Å; I230-I270 HydrophobicContact CG1-CG1 4.12Å; I230-I270 HydrophobicContact CG1-CG2 4.12Å; I230-I270 PolarHBondContact N-O 3.15Å; I230-I270 PolarHBondContact O-N 2.86Å; I230-V275 HydrophobicContact CD1-CG2 4.2Å; I230-V275 HydrophobicContact CG1-CG2 4.4Å; I230-V275 HydrophobicContact CG2-CG2 4.37Å
231	V	98.9	Very high	98.4	Very high	10 Å²	10	22.5 Å²	22.5	6%	0.061	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	143.4	172	-64.4	0	0	0	0	111	W222 K223 F263 H269	W222-V231 WeakPolarHBondContact CB-O 3.36Å; W222-V231 HydrophobicContact CE3-CG2 4.21Å; W222-V231 PolarHBondContact N-O 3.42Å; K223-V231 HydrophobicContact CB-CG2 3.92Å; K223-V231 HydrophobicContact CG-CG2 4.44Å; K223-V231 PolarHBondContact N-O 2.94Å; K223-V231 PolarHBondContact O-N 3.34Å; V231-F263 HydrophobicContact CG1-CD1 4.29Å; V231-F263 HydrophobicContact CG1-CD2 4.33Å; V231-F263 HydrophobicContact CG1-CE1 4.43Å; V231-F263 HydrophobicContact CG1-CE2 4.44Å; V231-F263 HydrophobicContact CG1-CG 4.26Å; V231-F263 HydrophobicContact CG2-CD1 4.35Å; V231-F263 HydrophobicContact CG2-CE1 3.74Å; V231-F263 HydrophobicContact CG2-CE2 4.39Å; V231-F263 HydrophobicContact CG2-CZ 3.77Å; V231-H269 VanDerWaalsContact CA-ND1 3.34Å; V231-H269 WeakPolarHBondContact CA-ND1 3.23Å; V231-H269 WeakPolarHBondContact CB-ND1 3.09Å
232	F	98.9	Very high	98.4	Very high	9 Å²	9	22.4 Å²	22.4	4%	0.039	10%	0.097	C	C	.	.			trans	-99.7	157.8	174.4	-56.3	-77	0	0	0	111.1	I219 K220 A221 I230 R237 N240 Q241 H269 I270	I219-F232 HydrophobicContact CG2-CE1 4.14Å; I219-F232 HydrophobicContact CG2-CZ 4.42Å; K220-F232 WeakPolarHBondContact O-CD1 3.21Å; K220-F232 WeakPolarHBondContact O-CE1 3.27Å; A221-F232 HydrophobicContact CB-CD1 3.85Å; A221-F232 HydrophobicContact CB-CE1 3.67Å; I230-F232 HydrophobicContact CD1-CE1 4.31Å; I230-F232 HydrophobicContact CD1-CZ 3.87Å; F232-R237 HydrophobicContact CB-CB 3.59Å; F232-R237 HydrophobicContact CB-CG 3.83Å; F232-R237 HydrophobicContact CD2-CB 4.33Å; F232-R237 HydrophobicContact CD2-CG 3.65Å; F232-R237 HydrophobicContact CE2-CG 4.39Å; F232-R237 HydrophobicContact CG-CB 4Å; F232-R237 HydrophobicContact CG-CG 3.84Å; F232-N240 HydrophobicContact CD1-CB 4.09Å; F232-N240 HydrophobicContact CE1-CB 3.43Å; F232-N240 VanDerWaalsContact CE1-CB 3.43Å; F232-N240 HydrophobicContact CZ-CB 3.9Å; F232-Q241 HydrophobicContact CD2-CB 4.4Å; F232-Q241 HydrophobicContact CE2-CB 3.74Å; F232-Q241 HydrophobicContact CE2-CG 4.48Å; F232-Q241 HydrophobicContact CZ-CB 4.25Å; F232-H269 HydrophobicContact CD2-CB 3.72Å; F232-H269 HydrophobicContact CE2-CB 4.06Å; F232-H269 PolarHBondContact N-ND1 3.38Å; F232-I270 HydrophobicContact CE2-CG1 3.68Å; F232-I270 HydrophobicContact CZ-CG1 4.02Å
233	R	98.7	Very high	98.4	Very high	67 Å²	67	18.2 Å²	18.2	25%	0.253	8%	0.082	S	C	.	.			trans	-114.1	124.5	178.7	-178.6	172.3	-178.4	-83.2	-5.2	110.1	W222 A236 D369 D371	W222-R233 HydrophobicContact CB-CB 3.72Å; W222-R233 HydrophobicContact CD2-CB 3.96Å; W222-R233 HydrophobicContact CD2-CG 4.39Å; W222-R233 HydrophobicContact CE3-CB 4.23Å; W222-R233 HydrophobicContact CG-CB 3.74Å; W222-R233 HydrophobicContact CG-CG 4.48Å; R233-A236 WeakPolarHBondContact O-CB 3.46Å; R233-A236 PolarHBondContact O-N 3.07Å; R233-D369 IonicContact CZ-OD1 3.87Å; R233-D369 IonicContact CZ-OD2 3.89Å; R233-D369 VanDerWaalsContact NH1-CG 3.28Å; R233-D369 IonicContact NH1-OD1 2.69Å; R233-D369 PolarHBondContact NH1-OD1 3.02Å; R233-D369 IonicContact NH1-OD2 2.69Å; R233-D369 PolarHBondContact NH1-OD2 3.36Å; R233-D369 IonicContact NH2-OD1 3.01Å; R233-D369 IonicContact NH2-OD2 2.76Å; R233-D369 PolarHBondContact NH2-OD2 3.48Å; R233-D371 HydrophobicContact CG-CB 4.48Å; R233-D371 IonicContact CZ-OD2 3.47Å; R233-D371 IonicContact NH1-OD2 2.67Å; R233-D371 PolarHBondContact NH1-OD2 2.55Å
234	K	98.8	Very high	98.4	Very high	52 Å²	52	16.7 Å²	16.7	23%	0.226	8%	0.075	C	C	.	.	G	3₁₀ helix	trans	50.9	-137.2	173.6	-57	-172.7	178.9	-175.4	0	112.6	A236 D369 D371 L372 Y388	K234-A236 VanDerWaalsContact C-N 3.25Å; K234-A236 PolarHBondContact O-N 3.41Å; K234-D369 WeakPolarHBondContact CE-OD2 3.47Å; K234-D369 IonicContact NZ-OD2 2.66Å; K234-D369 PolarHBondContact NZ-OD2 3.23Å; K234-D371 HydrophobicContact CB-CB 4.3Å; K234-D371 VanDerWaalsContact CB-O 3.23Å; K234-D371 WeakPolarHBondContact CB-O 3.23Å; K234-L372 HydrophobicContact CB-CD1 4.47Å; K234-L372 HydrophobicContact CD-CB 3.81Å; K234-L372 HydrophobicContact CD-CD1 4.4Å; K234-L372 HydrophobicContact CD-CD2 4.13Å; K234-L372 HydrophobicContact CD-CG 4.33Å; K234-Y388 HydrophobicContact CB-CD1 4.27Å; K234-Y388 HydrophobicContact CB-CE1 3.79Å; K234-Y388 HydrophobicContact CB-CE2 4.2Å; K234-Y388 HydrophobicContact CG-CE1 4.31Å; K234-Y388 HydrophobicContact CG-CE2 3.96Å
235	T	98.8	Very high	98.4	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	9%	0.088	C	C	.	.	G	3₁₀ helix	trans	-78.4	-3	-177.6	62.4	0	0	0	0	114.3	R237 N238 N354 L356 D371 L372 I373 Y388	T235-R237 PolarHBondContact O-N 3.27Å; T235-N238 PolarHBondContact O-ND2 3.22Å; T235-N354 WeakPolarHBondContact CB-ND2 3.08Å; T235-L356 HydrophobicContact CG2-CB 3.82Å; T235-L356 HydrophobicContact CG2-CD2 4.33Å; T235-D371 WeakPolarHBondContact CA-O 3.41Å; T235-D371 PolarHBondContact N-O 3.1Å; T235-D371 PolarHBondContact OG1-O 3.23Å; T235-L372 HydrophobicContact CG2-CD1 3.91Å; T235-L372 WeakPolarHBondContact OG1-CA 3.38Å; T235-I373 PolarHBondContact OG1-N 2.95Å; T235-I373 VanDerWaalsContact OG1-N 3.07Å; T235-Y388 HydrophobicContact CG2-CD1 3.98Å; T235-Y388 HydrophobicContact CG2-CE1 3.92Å
236	A	98.8	Very high	98.5	Very high	7 Å²	7	19.7 Å²	19.7	6%	0.058	9%	0.089	C	C	.	.	G	3₁₀ helix	trans	-69.4	-8.7	170.9	0	0	0	0	0	112.9	R233 K234 N238 N240 D371	R233-A236 WeakPolarHBondContact O-CB 3.46Å; R233-A236 PolarHBondContact O-N 3.07Å; K234-A236 VanDerWaalsContact C-N 3.25Å; K234-A236 PolarHBondContact O-N 3.41Å; A236-N238 PolarHBondContact O-ND2 3.45Å; A236-N240 PolarHBondContact O-ND2 3.06Å; A236-D371 HydrophobicContact CB-CB 4.09Å; A236-D371 PolarHBondContact N-O 2.87Å
237	R	98.8	Very high	98.6	Very high	33 Å²	33	15.2 Å²	15.2	13%	0.125	7%	0.072	C	C	.	.	G	3₁₀ helix	trans	-64.9	-51.6	175.7	-176.9	179.8	-58.2	-178.8	14.1	113.1	F232 T235 F239 N240 Q241 H269 Y388	F232-R237 HydrophobicContact CB-CB 3.59Å; F232-R237 HydrophobicContact CB-CG 3.83Å; F232-R237 HydrophobicContact CD2-CB 4.33Å; F232-R237 HydrophobicContact CD2-CG 3.65Å; F232-R237 HydrophobicContact CE2-CG 4.39Å; F232-R237 HydrophobicContact CG-CB 4Å; F232-R237 HydrophobicContact CG-CG 3.84Å; T235-R237 PolarHBondContact O-N 3.27Å; R237-F239 PolarHBondContact O-N 3.16Å; R237-N240 WeakPolarHBondContact O-CB 3.18Å; R237-N240 PolarHBondContact O-N 2.58Å; R237-N240 VanDerWaalsContact O-N 3.11Å; R237-Q241 HydrophobicContact CG-CB 4.12Å; R237-Q241 PolarHBondContact O-N 3.07Å; R237-H269 VanDerWaalsContact CZ-CD2 3.43Å; R237-H269 PolarHBondContact NH1-CD2 3.12Å; R237-H269 PolarHBondContact NH2-CD2 3.02Å; R237-H269 PolarHBondContact NH2-CE1 2.82Å; R237-H269 PolarHBondContact NH2-NE2 3.18Å; R237-Y388 PolarHBondContact NH1-O 3.07Å; R237-Y388 VanDerWaalsContact NH1-O 3.13Å
238	N	98.8	Very high	98.7	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	10%	0.1	C	C	.	.	T	Hydrogen-bonded Turn	trans	20.5	-119.7	173.7	57.7	55	0	0	0	116.1	G72 F73 C76 T235 A236 N240 P242 S391	G72-N238 VanDerWaalsContact C-OD1 3.27Å; G72-N238 WeakPolarHBondContact CA-OD1 3.33Å; G72-N238 PolarHBondContact N-OD1 3.34Å; F73-N238 HydrophobicContact CB-CB 3.98Å; F73-N238 PolarHBondContact N-ND2 3.22Å; C76-N238 PolarHBondContact O-ND2 2.61Å; T235-N238 PolarHBondContact O-ND2 3.22Å; A236-N238 PolarHBondContact O-ND2 3.45Å; N238-N240 VanDerWaalsContact C-N 3.34Å; N238-N240 PolarHBondContact OD1-ND2 3.01Å; N238-P242 WeakPolarHBondContact O-CD 3.36Å; N238-S391 WeakPolarHBondContact CA-OG 3.33Å; N238-S391 PolarHBondContact O-N 3.45Å; N238-S391 PolarHBondContact O-OG 3.18Å
239	F	98.9	Very high	98.8	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	11%	0.108	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.5	-16.6	-179.8	-82.5	-89.7	0	0	0	113.6	N99 Q147 L150 A151 I154 R237 Q241 P242 M243 S391	N99-F239 HydrophobicContact CB-CD2 3.67Å; N99-F239 HydrophobicContact CB-CE2 3.53Å; N99-F239 HydrophobicContact CB-CG 4.37Å; N99-F239 HydrophobicContact CB-CZ 4.1Å; N99-F239 WeakPolarHBondContact OD1-CE2 3.39Å; Q147-F239 HydrophobicContact CG-CE2 3.94Å; Q147-F239 HydrophobicContact CG-CZ 3.72Å; L150-F239 HydrophobicContact CB-CE1 4.36Å; L150-F239 HydrophobicContact CD2-CE1 4.07Å; L150-F239 HydrophobicContact CD2-CZ 4.29Å; L150-F239 HydrophobicContact CG-CE1 3.96Å; A151-F239 HydrophobicContact CB-CE1 3.74Å; A151-F239 HydrophobicContact CB-CZ 4.08Å; I154-F239 HydrophobicContact CD1-CD1 4.14Å; I154-F239 HydrophobicContact CD1-CE1 4.37Å; R237-F239 PolarHBondContact O-N 3.16Å; F239-Q241 VanDerWaalsContact C-N 3.27Å; F239-Q241 PolarHBondContact O-N 3.45Å; F239-P242 VanDerWaalsContact O-CD 3.26Å; F239-P242 WeakPolarHBondContact O-CD 3.46Å; F239-P242 WeakPolarHBondContact O-CG 3.47Å; F239-M243 HydrophobicContact CB-CE 4.02Å; F239-M243 HydrophobicContact CB-SD 4.08Å; F239-M243 HydrophobicContact CD1-CE 3.94Å; F239-M243 HydrophobicContact CG-CE 4.29Å; F239-M243 VanDerWaalsContact O-CB 3.27Å; F239-M243 WeakPolarHBondContact O-CB 3.49Å; F239-M243 WeakPolarHBondContact O-CG 3.49Å; F239-M243 PolarHBondContact O-N 3.01Å; F239-S391 WeakPolarHBondContact CD2-OG 3.3Å; F239-S391 VanDerWaalsContact CE2-OG 3.3Å; F239-S391 WeakPolarHBondContact CE2-OG 3.33Å; F239-S391 PolarHBondContact N-OG 3.32Å
240	N	98.9	Very high	98.8	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-55.1	-45.4	178.3	-73.5	-69.3	0	0	0	111.3	G71 G72 G77 I219 K220 F232 A236 R237 N238 M243 C244	G71-N240 WeakPolarHBondContact CA-OD1 3.37Å; G72-N240 PolarHBondContact N-ND2 3.22Å; G77-N240 PolarHBondContact O-ND2 3.47Å; I219-N240 WeakPolarHBondContact CA-OD1 3.36Å; I219-N240 HydrophobicContact CG2-CB 3.83Å; K220-N240 PolarHBondContact N-OD1 3.33Å; K220-N240 VanDerWaalsContact O-CG 3.28Å; K220-N240 PolarHBondContact O-OD1 3.27Å; F232-N240 HydrophobicContact CD1-CB 4.09Å; F232-N240 HydrophobicContact CE1-CB 3.43Å; F232-N240 VanDerWaalsContact CE1-CB 3.43Å; F232-N240 HydrophobicContact CZ-CB 3.9Å; A236-N240 PolarHBondContact O-ND2 3.06Å; R237-N240 WeakPolarHBondContact O-CB 3.18Å; R237-N240 PolarHBondContact O-N 2.58Å; R237-N240 VanDerWaalsContact O-N 3.11Å; N238-N240 VanDerWaalsContact C-N 3.34Å; N238-N240 PolarHBondContact OD1-ND2 3.01Å; N240-M243 PolarHBondContact O-N 2.99Å; N240-C244 PolarHBondContact O-N 3.35Å; N240-C244 PolarHBondContact O-SG 3.15Å
241	Q	98.9	Very high	98.8	Very high	28 Å²	28	22.3 Å²	22.3	13%	0.131	10%	0.103	C	C	.	.	H	α-helix	trans	-61.5	-54.5	-178.6	169.9	158.6	-33.4	0	0	114.4	F232 R237 F239 M243 I270 S390	F232-Q241 HydrophobicContact CD2-CB 4.4Å; F232-Q241 HydrophobicContact CE2-CB 3.74Å; F232-Q241 HydrophobicContact CE2-CG 4.48Å; F232-Q241 HydrophobicContact CZ-CB 4.25Å; R237-Q241 HydrophobicContact CG-CB 4.12Å; R237-Q241 PolarHBondContact O-N 3.07Å; F239-Q241 VanDerWaalsContact C-N 3.27Å; F239-Q241 PolarHBondContact O-N 3.45Å; Q241-M243 VanDerWaalsContact C-N 3.34Å; Q241-M243 PolarHBondContact O-N 3.15Å; Q241-I270 HydrophobicContact CB-CD1 4.47Å; Q241-I270 HydrophobicContact CG-CD1 3.91Å; Q241-S390 PolarHBondContact NE2-OG 3.37Å
242	P	98.8	Very high	98.8	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-66.1	-36	177.7	23	-32.6	0	0	0	112.2	I154 R155 N238 F239 C244 K245 D392	I154-P242 HydrophobicContact CG2-CB 4.09Å; R155-P242 HydrophobicContact CB-CB 4.36Å; N238-P242 WeakPolarHBondContact O-CD 3.36Å; F239-P242 VanDerWaalsContact O-CD 3.26Å; F239-P242 WeakPolarHBondContact O-CD 3.46Å; F239-P242 WeakPolarHBondContact O-CG 3.47Å; P242-C244 VanDerWaalsContact C-N 3.34Å; P242-C244 PolarHBondContact O-N 2.82Å; P242-K245 PolarHBondContact O-N 2.92Å; P242-D392 HydrophobicContact CB-CB 4.28Å; P242-D392 WeakPolarHBondContact CD-OD1 3.32Å; P242-D392 HydrophobicContact CG-CB 4.46Å
243	M	98.9	Very high	98.8	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-68	-30	-179.5	-71.2	178.9	173.8	0	0	113.6	L69 V70 G71 V97 I154 I219 F239 N240 Q241 K245 A246	L69-M243 HydrophobicContact CB-CB 4.07Å; L69-M243 HydrophobicContact CB-CG 3.94Å; L69-M243 HydrophobicContact CB-SD 3.98Å; L69-M243 HydrophobicContact CD1-CB 4.25Å; L69-M243 HydrophobicContact CD1-CG 4.3Å; V70-M243 VanDerWaalsContact O-SD 3.39Å; G71-M243 PolarHBondContact N-SD 3.2Å; V97-M243 WeakPolarHBondContact O-CE 3.34Å; I154-M243 HydrophobicContact CD1-CE 3.56Å; I154-M243 HydrophobicContact CD1-CG 4Å; I154-M243 HydrophobicContact CG2-CB 4.4Å; I154-M243 HydrophobicContact CG2-CG 3.85Å; I219-M243 HydrophobicContact CD1-CB 3.56Å; F239-M243 HydrophobicContact CB-CE 4.02Å; F239-M243 HydrophobicContact CB-SD 4.08Å; F239-M243 HydrophobicContact CD1-CE 3.94Å; F239-M243 HydrophobicContact CG-CE 4.29Å; F239-M243 VanDerWaalsContact O-CB 3.27Å; F239-M243 WeakPolarHBondContact O-CB 3.49Å; F239-M243 WeakPolarHBondContact O-CG 3.49Å; F239-M243 PolarHBondContact O-N 3.01Å; N240-M243 PolarHBondContact O-N 2.99Å; Q241-M243 VanDerWaalsContact C-N 3.34Å; Q241-M243 PolarHBondContact O-N 3.15Å; M243-K245 PolarHBondContact O-N 2.88Å; M243-K245 VanDerWaalsContact O-N 3.07Å; M243-A246 PolarHBondContact O-N 2.86Å
244	C	98.4	Very high	98.8	Very high	1 Å²	1	18.2 Å²	18.2	1%	0.007	9%	0.086	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53	-30.1	173.4	-81.1	0	0	0	0	113.5	I219 N240 P242 T250 I270	I219-C244 WeakPolarHBondContact CG2-SG 3.41Å; N240-C244 PolarHBondContact O-N 3.35Å; N240-C244 PolarHBondContact O-SG 3.15Å; P242-C244 VanDerWaalsContact C-N 3.34Å; P242-C244 PolarHBondContact O-N 2.82Å; C244-T250 HydrophobicContact CB-CG2 4.29Å; C244-T250 PolarHBondContact O-OG1 2.75Å; C244-I270 HydrophobicContact CB-CD1 4.04Å; C244-I270 HydrophobicContact CB-CG1 4.24Å; C244-I270 HydrophobicContact CB-CG2 4.22Å
245	K	98.7	Very high	98.8	Very high	65 Å²	65	17.9 Å²	17.9	28%	0.283	9%	0.085	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.7	-12.6	-169.6	-55.1	175.1	-171.8	175.5	0	112.8	G158 P242 M243 I270 F274	G158-K245 WeakPolarHBondContact CA-O 3.46Å; P242-K245 PolarHBondContact O-N 2.92Å; M243-K245 PolarHBondContact O-N 2.88Å; M243-K245 VanDerWaalsContact O-N 3.07Å; K245-I270 HydrophobicContact CD-CD1 4.46Å; K245-I270 HydrophobicContact CG-CD1 4.33Å; K245-F274 HydrophobicContact CB-CD1 4.02Å; K245-F274 HydrophobicContact CB-CE1 4.14Å; K245-F274 HydrophobicContact CG-CD1 3.95Å; K245-F274 HydrophobicContact CG-CD2 4.28Å; K245-F274 HydrophobicContact CG-CE1 4.12Å; K245-F274 HydrophobicContact CG-CE2 4.44Å; K245-F274 HydrophobicContact CG-CG 4.03Å; K245-F274 HydrophobicContact CG-CZ 4.37Å
246	A	98.8	Very high	98.8	Very high	3 Å²	3	21.6 Å²	21.6	3%	0.025	10%	0.103	C	C	.	.	S	Bend	trans	-113	22.1	-162.8	0	0	0	0	0	113.8	L69 I154 T213 G214 M243	L69-A246 HydrophobicContact CD1-CB 3.7Å; L69-A246 WeakPolarHBondContact CD1-O 3.49Å; I154-A246 HydrophobicContact CG2-CB 3.68Å; I154-A246 VanDerWaalsContact O-CB 3.26Å; I154-A246 WeakPolarHBondContact O-CB 3.48Å; T213-A246 CarbonylContact C-O 3.38Å; T213-A246 WeakPolarHBondContact CA-O 3.32Å; G214-A246 PolarHBondContact N-O 2.86Å; M243-A246 PolarHBondContact O-N 2.86Å
247	A	98.8	Very high	98.7	Very high	16 Å²	16	23.1 Å²	23.1	13%	0.132	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	154.6	177.8	0	0	0	0	0	112.9	L69 G214 A217 T249	L69-A247 HydrophobicContact CD1-CB 4.38Å; G214-A247 VanDerWaalsContact O-CA 3.23Å; G214-A247 WeakPolarHBondContact O-CA 3.34Å; A217-A247 HydrophobicContact CB-CB 3.56Å; A247-T249 VanDerWaalsContact C-N 3.31Å
248	K	98.6	Very high	98.7	Very high	147 Å²	147	22.1 Å²	22.1	64%	0.639	11%	0.109	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-65.1	-37	174.8	-59.8	172.7	-174.6	154.7	0	111.8	G214 D215	G214-K248 PolarHBondContact O-N 3.26Å; G214-K248 VanDerWaalsContact O-N 3.15Å; D215-K248 WeakPolarHBondContact O-CB 3.32Å; D215-K248 PolarHBondContact O-N 2.84Å; D215-K248 IonicContact OD1-NZ 2.99Å; D215-K248 PolarHBondContact OD1-NZ 2.64Å
249	T	98.8	Very high	98.7	Very high	29 Å²	29	26.6 Å²	26.6	18%	0.178	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	115.9	174.7	-59.7	0	0	0	0	110.7	D215 F216 A217 A247 I251 H276 R277	D215-T249 PolarHBondContact O-N 2.92Å; D215-T249 VanDerWaalsContact O-N 3.07Å; F216-T249 CarbonylContact C-O 3.52Å; F216-T249 VanDerWaalsContact CA-O 3.23Å; F216-T249 WeakPolarHBondContact CA-O 3.4Å; F216-T249 HydrophobicContact CD1-CG2 3.83Å; F216-T249 HydrophobicContact CE1-CG2 3.82Å; A217-T249 PolarHBondContact N-O 3.45Å; A247-T249 VanDerWaalsContact C-N 3.31Å; T249-I251 HydrophobicContact CG2-CG1 4.14Å; T249-H276 HydrophobicContact CG2-CB 4.27Å; T249-R277 HydrophobicContact CG2-CG 4.5Å
250	T	98.9	Very high	98.6	Very high	1 Å²	1	30.2 Å²	30.2	1%	0.006	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	121.2	177.1	-56.9	0	0	0	0	110.1	A217 I219 C244 V252 F274 H276 R277	A217-T250 HydrophobicContact CB-CG2 4.3Å; I219-T250 HydrophobicContact CG1-CG2 3.92Å; C244-T250 HydrophobicContact CB-CG2 4.29Å; C244-T250 PolarHBondContact O-OG1 2.75Å; T250-V252 HydrophobicContact CG2-CG2 3.91Å; T250-F274 WeakPolarHBondContact CB-O 3.27Å; T250-F274 PolarHBondContact OG1-O 3.48Å; T250-H276 PolarHBondContact N-ND1 3.48Å; T250-H276 WeakPolarHBondContact O-CB 3.45Å; T250-H276 PolarHBondContact O-N 3.11Å; T250-H276 VanDerWaalsContact O-N 3.09Å; T250-R277 PolarHBondContact O-N 2.84Å
251	I	98.9	Very high	98.3	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	117.5	-179.9	-50.6	169.2	0	0	0	107.5	A58 V59 I62 L82 F216 A217 L218 I219 T249 R277	A58-I251 HydrophobicContact CB-CG2 3.99Å; A58-I251 WeakPolarHBondContact O-CD1 3.48Å; V59-I251 HydrophobicContact CG1-CD1 4.07Å; I62-I251 HydrophobicContact CD1-CD1 4.37Å; L82-I251 HydrophobicContact CD1-CB 4.32Å; L82-I251 HydrophobicContact CD1-CG2 3.78Å; L82-I251 HydrophobicContact CD2-CG2 3.66Å; L82-I251 HydrophobicContact CG-CG2 4.4Å; F216-I251 HydrophobicContact CD1-CD1 3.93Å; A217-I251 PolarHBondContact O-N 3.31Å; L218-I251 HydrophobicContact CD2-CB 4.13Å; L218-I251 HydrophobicContact CD2-CD1 3.91Å; L218-I251 HydrophobicContact CD2-CG1 4.49Å; I219-I251 PolarHBondContact N-O 2.96Å; T249-I251 HydrophobicContact CG2-CG1 4.14Å; I251-R277 WeakPolarHBondContact CA-O 3.26Å; I251-R277 HydrophobicContact CB-CB 4.39Å; I251-R277 HydrophobicContact CG1-CB 4.19Å; I251-R277 HydrophobicContact CG1-CG 4.38Å; I251-R277 HydrophobicContact CG2-CB 4.13Å
252	V	98.9	Very high	98.3	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	125.7	-175.8	-171.2	0	0	0	0	109.3	I219 A221 I230 T250 V254 V275 R277 I278 V279	I219-V252 HydrophobicContact CB-CB 4.47Å; I219-V252 HydrophobicContact CB-CG1 4.34Å; I219-V252 HydrophobicContact CB-CG2 4.1Å; I219-V252 HydrophobicContact CG2-CG1 4.13Å; I219-V252 HydrophobicContact CG2-CG2 4.32Å; I219-V252 CarbonylContact O-C 3.59Å; I219-V252 WeakPolarHBondContact O-CA 3.36Å; A221-V252 HydrophobicContact CB-CG1 3.85Å; I230-V252 HydrophobicContact CD1-CG1 3.98Å; I230-V252 HydrophobicContact CD1-CG2 4.21Å; I230-V252 HydrophobicContact CG2-CG1 4.32Å; T250-V252 HydrophobicContact CG2-CG2 3.91Å; V252-V254 HydrophobicContact CG1-CG1 3.96Å; V252-V275 HydrophobicContact CB-CG1 4.31Å; V252-V275 HydrophobicContact CG2-CB 4.48Å; V252-V275 HydrophobicContact CG2-CG1 3.72Å; V252-V275 HydrophobicContact CG2-CG2 4.14Å; V252-R277 PolarHBondContact N-O 3.09Å; V252-I278 CarbonylContact O-C 3.5Å; V252-I278 VanDerWaalsContact O-CA 3.32Å; V252-I278 WeakPolarHBondContact O-CA 3.33Å; V252-V279 PolarHBondContact O-N 2.77Å
253	E	98.8	Very high	98.2	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	138.2	163.6	60.8	170.8	-126.4	0	0	111.2	P79 E80 N81 L82 I219 K220 A221 V279 Y284	P79-E253 WeakPolarHBondContact CA-OE1 3.44Å; P79-E253 HydrophobicContact CB-CG 3.91Å; E80-E253 PolarHBondContact N-OE1 3.08Å; N81-E253 VanDerWaalsContact CA-OE2 3.31Å; N81-E253 WeakPolarHBondContact CA-OE2 3.38Å; N81-E253 WeakPolarHBondContact CB-OE2 3.07Å; N81-E253 PolarHBondContact N-OE2 3.03Å; L82-E253 HydrophobicContact CD1-CB 4Å; L82-E253 HydrophobicContact CD1-CG 3.96Å; L82-E253 HydrophobicContact CG-CB 4.05Å; L82-E253 HydrophobicContact CG-CG 4.14Å; L82-E253 WeakPolarHBondContact CG-OE2 3.32Å; L82-E253 PolarHBondContact N-OE2 2.98Å; I219-E253 WeakPolarHBondContact O-CG 3.41Å; I219-E253 PolarHBondContact O-N 3.16Å; K220-E253 HydrophobicContact CB-CG 4.42Å; K220-E253 HydrophobicContact CD-CG 3.86Å; K220-E253 WeakPolarHBondContact CD-OE1 3.21Å; A221-E253 PolarHBondContact N-O 3.26Å; E253-V279 CarbonylContact C-O 3.54Å; E253-V279 VanDerWaalsContact CA-O 3.24Å; E253-V279 WeakPolarHBondContact CA-O 3.2Å; E253-Y284 WeakPolarHBondContact OE1-CE1 3.26Å
254	V	98.8	Very high	98.2	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	152.3	-179.8	-61.4	0	0	0	0	112.1	A221 A224 V252 V257 I278 V279 Q280 G281 Y284	A221-V254 HydrophobicContact CB-CG1 3.99Å; A221-V254 WeakPolarHBondContact O-CA 3.43Å; A224-V254 HydrophobicContact CB-CB 4.45Å; A224-V254 HydrophobicContact CB-CG1 3.87Å; A224-V254 HydrophobicContact CB-CG2 4.06Å; V252-V254 HydrophobicContact CG1-CG1 3.96Å; V254-V257 HydrophobicContact CG2-CG2 3.81Å; V254-I278 HydrophobicContact CG2-CG2 4.09Å; V254-V279 PolarHBondContact N-O 3.48Å; V254-Q280 WeakPolarHBondContact O-CA 3.37Å; V254-G281 PolarHBondContact O-N 2.93Å; V254-Y284 VanDerWaalsContact C-OH 3.31Å; V254-Y284 PolarHBondContact O-OH 3.46Å
255	E	98.7	Very high	98.2	Very high	45 Å²	45	43.3 Å²	43.3	21%	0.21	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	-32.8	174	-72	165.6	-129.7	0	0	111.6	K220 W222 Q280 Y284 K286	K220-E255 IonicContact NZ-OE1 2.77Å; K220-E255 PolarHBondContact NZ-OE1 3.49Å; W222-E255 WeakPolarHBondContact O-CB 3.49Å; W222-E255 PolarHBondContact O-N 2.78Å; E255-Q280 PolarHBondContact O-NE2 3.4Å; E255-Y284 HydrophobicContact CB-CE2 4.23Å; E255-Y284 HydrophobicContact CG-CD2 3.68Å; E255-Y284 HydrophobicContact CG-CE2 3.63Å; E255-Y284 HydrophobicContact CG-CG 4.19Å; E255-K286 VanDerWaalsContact CD-CE 3.4Å; E255-K286 WeakPolarHBondContact OE1-CE 3.5Å; E255-K286 IonicContact OE1-NZ 3.96Å; E255-K286 PolarHBondContact OE1-NZ 3.35Å; E255-K286 WeakPolarHBondContact OE2-CE 3.2Å; E255-K286 IonicContact OE2-NZ 2.8Å; E255-K286 PolarHBondContact OE2-NZ 3.17Å
256	E	98.4	Very high	98.2	Very high	79 Å²	79	48 Å²	48	37%	0.369	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	137.4	-174.6	-167	-175.7	157.6	0	0	111.4	W222 K223 A224 V258	W222-E256 PolarHBondContact O-N 2.83Å; K223-E256 VanDerWaalsContact CA-O 3.24Å; K223-E256 WeakPolarHBondContact CA-O 3.43Å; K223-E256 HydrophobicContact CD-CB 4.24Å; K223-E256 WeakPolarHBondContact CE-OE2 3.39Å; K223-E256 HydrophobicContact CG-CB 4.11Å; K223-E256 IonicContact NZ-OE1 3.94Å; K223-E256 PolarHBondContact NZ-OE1 2.83Å; K223-E256 IonicContact NZ-OE2 3.6Å; K223-E256 PolarHBondContact NZ-OE2 2.8Å; A224-E256 PolarHBondContact N-O 2.97Å; E256-V258 HydrophobicContact CG-CG1 3.97Å; E256-V258 WeakPolarHBondContact OE1-CG1 3.45Å
257	V	98.5	Very high	98.2	Very high	38 Å²	38	52.9 Å²	52.9	23%	0.23	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	125	167.8	179.7	0	0	0	0	109.1	F51 A224 K226 V254 Q280	F51-V257 HydrophobicContact CD1-CG2 4.49Å; F51-V257 HydrophobicContact CE1-CG1 3.82Å; F51-V257 HydrophobicContact CE1-CG2 4.13Å; A224-V257 CarbonylContact O-C 3.46Å; A224-V257 VanDerWaalsContact O-CA 3.27Å; A224-V257 WeakPolarHBondContact O-CA 3.48Å; K226-V257 HydrophobicContact CG-CG1 4.1Å; V254-V257 HydrophobicContact CG2-CG2 3.81Å; V257-Q280 HydrophobicContact CG2-CB 4.12Å
258	V	98.5	Very high	98.2	Very high	13 Å²	13	54 Å²	54	8%	0.079	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	168.8	-176.2	-57.8	0	0	0	0	112.3	K223 A224 D225 K226 E256 T262 F263	K223-V258 HydrophobicContact CD-CG1 3.97Å; A224-V258 WeakPolarHBondContact O-CG2 3.46Å; A224-V258 PolarHBondContact O-N 2.72Å; D225-V258 CarbonylContact C-O 3.46Å; D225-V258 VanDerWaalsContact CA-O 3.29Å; D225-V258 WeakPolarHBondContact CA-O 3.44Å; D225-V258 HydrophobicContact CB-CG2 4.05Å; K226-V258 PolarHBondContact N-O 2.91Å; E256-V258 HydrophobicContact CG-CG1 3.97Å; E256-V258 WeakPolarHBondContact OE1-CG1 3.45Å; V258-T262 HydrophobicContact CB-CG2 4.06Å; V258-T262 HydrophobicContact CG1-CG2 4.46Å; V258-T262 HydrophobicContact CG2-CG2 3.88Å; V258-F263 HydrophobicContact CG2-CE1 3.99Å; V258-F263 HydrophobicContact CG2-CE2 3.84Å; V258-F263 HydrophobicContact CG2-CZ 3.4Å; V258-F263 VanDerWaalsContact CG2-CZ 3.4Å
259	D	97.8	Very high	98.2	Very high	94 Å²	94	49.4 Å²	49.4	50%	0.503	29%	0.292	S	S	.	.			trans	-72.6	152.8	177	-73.5	-38.8	0	0	0	112.5	K226 G261 T262	K226-D259 WeakPolarHBondContact CD-OD1 3.36Å; K226-D259 VanDerWaalsContact CE-OD1 3.25Å; K226-D259 WeakPolarHBondContact CE-OD1 3.29Å; K226-D259 IonicContact NZ-OD1 2.8Å; K226-D259 PolarHBondContact NZ-OD1 2.88Å; D259-G261 PolarHBondContact O-N 3.21Å; D259-T262 PolarHBondContact N-OG1 3.49Å; D259-T262 VanDerWaalsContact O-CB 3.25Å; D259-T262 WeakPolarHBondContact O-CB 3.27Å; D259-T262 PolarHBondContact O-N 3.26Å; D259-T262 VanDerWaalsContact O-N 3.16Å; D259-T262 PolarHBondContact O-OG1 2.67Å
260	V	96.5	Very high	98.2	Very high	75 Å²	75	48 Å²	48	46%	0.455	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.3	135.4	174.4	-175.1	0	0	0	0	109.4	R47 K226 A227	R47-V260 VanDerWaalsContact NH1-CG2 3.26Å; K226-V260 HydrophobicContact CB-CG2 3.99Å; A227-V260 HydrophobicContact CB-CG1 4.33Å; A227-V260 HydrophobicContact CB-CG2 3.95Å
261	G	94.3	Very high	98.1	Very high	66 Å²	66	50.9 Å²	50.9	68%	0.68	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	88.9	0.2	-175.2	0	0	0	0	0	114	D259 F263	D259-G261 PolarHBondContact O-N 3.21Å; G261-F263 VanDerWaalsContact C-N 3.32Å
262	T	97.8	Very high	98.1	Very high	81 Å²	81	52.3 Å²	52.3	50%	0.497	31%	0.312	S	S	.	.	S	Bend	trans	-65.4	-36.5	171	-58.5	0	0	0	0	111.9	V258 D259	V258-T262 HydrophobicContact CB-CG2 4.06Å; V258-T262 HydrophobicContact CG1-CG2 4.46Å; V258-T262 HydrophobicContact CG2-CG2 3.88Å; D259-T262 PolarHBondContact N-OG1 3.49Å; D259-T262 VanDerWaalsContact O-CB 3.25Å; D259-T262 WeakPolarHBondContact O-CB 3.27Å; D259-T262 PolarHBondContact O-N 3.26Å; D259-T262 VanDerWaalsContact O-N 3.16Å; D259-T262 PolarHBondContact O-OG1 2.67Å
263	F	97.7	Very high	98	Very high	36 Å²	36	58.1 Å²	58.1	16%	0.158	34%	0.342	C	S	.	.	S	Bend	trans	-93.6	141	175.9	-48.1	-48.9	0	0	0	110	K223 D225 V231 V258 G261 I268	K223-F263 HydrophobicContact CB-CE1 4.26Å; K223-F263 HydrophobicContact CB-CZ 3.69Å; K223-F263 HydrophobicContact CD-CE1 4.37Å; K223-F263 HydrophobicContact CD-CZ 4.5Å; D225-F263 HydrophobicContact CB-CD2 4.13Å; D225-F263 HydrophobicContact CB-CE2 3.83Å; V231-F263 HydrophobicContact CG1-CD1 4.29Å; V231-F263 HydrophobicContact CG1-CD2 4.33Å; V231-F263 HydrophobicContact CG1-CE1 4.43Å; V231-F263 HydrophobicContact CG1-CE2 4.44Å; V231-F263 HydrophobicContact CG1-CG 4.26Å; V231-F263 HydrophobicContact CG2-CD1 4.35Å; V231-F263 HydrophobicContact CG2-CE1 3.74Å; V231-F263 HydrophobicContact CG2-CE2 4.39Å; V231-F263 HydrophobicContact CG2-CZ 3.77Å; V258-F263 HydrophobicContact CG2-CE1 3.99Å; V258-F263 HydrophobicContact CG2-CE2 3.84Å; V258-F263 HydrophobicContact CG2-CZ 3.4Å; V258-F263 VanDerWaalsContact CG2-CZ 3.4Å; G261-F263 VanDerWaalsContact C-N 3.32Å; F263-I268 HydrophobicContact CB-CG1 4.19Å
264	A	98.4	Very high	98	Very high	46 Å²	46	61.3 Å²	61.3	38%	0.38	36%	0.356	S	S	.	.			trans	-61.1	144	159.9	0	0	0	0	0	108.7	E266 D267	A264-E266 PolarHBondContact O-N 2.74Å; A264-D267 HydrophobicContact CB-CB 4.37Å; A264-D267 PolarHBondContact O-N 2.81Å; A264-D267 VanDerWaalsContact O-N 3.11Å
265	A	98.1	Very high	97.9	Very high	75 Å²	75	61.3 Å²	61.3	62%	0.62	36%	0.356	S	S	*	.	G	3₁₀ helix	trans	-63.7	-31.3	-174.6	0	0	0	0	0	111.7	D267	A265-D267 VanDerWaalsContact C-N 3.31Å
266	E	98.4	Very high	97.9	Very high	163 Å²	163	62.2 Å²	62.2	76%	0.762	36%	0.36	S	S	*	.	G	3₁₀ helix	trans	-71.7	-23.2	179.2	-59.2	77.2	-171.3	0	0	112.8	A264	A264-E266 PolarHBondContact O-N 2.74Å
267	D	98.1	Very high	97.9	Very high	106 Å²	106	59.9 Å²	59.9	57%	0.567	35%	0.348	S	S	*	.	G	3₁₀ helix	trans	-93.6	-2.6	-176.9	-66.6	-26.3	0	0	0	113	A264 A265 H269	A264-D267 HydrophobicContact CB-CB 4.37Å; A264-D267 PolarHBondContact O-N 2.81Å; A264-D267 VanDerWaalsContact O-N 3.11Å; A265-D267 VanDerWaalsContact C-N 3.31Å; D267-H269 PolarHBondContact O-N 3.39Å
268	I	98.7	Very high	98	Very high	40 Å²	40	58.1 Å²	58.1	21%	0.205	34%	0.337	C	S	.	.			trans	-69.6	118.1	176.8	-68	167.9	0	0	0	109.2	N229 F263 I270	N229-I268 HydrophobicContact CB-CD1 3.91Å; N229-I268 HydrophobicContact CB-CG1 4.14Å; N229-I268 HydrophobicContact CB-CG2 3.87Å; F263-I268 HydrophobicContact CB-CG1 4.19Å; I268-I270 VanDerWaalsContact CG2-C 3.5Å; I268-I270 WeakPolarHBondContact CG2-O 3.3Å
269	H	98.8	Very high	98	Very high	51 Å²	51	57.5 Å²	57.5	24%	0.236	33%	0.333	C	S	.	.	S	Bend	trans	-77.7	-39.7	179.1	-61.1	119.8	0	0	0	112.6	I230 V231 F232 R237 D267	I230-H269 PolarHBondContact O-N 3.45Å; V231-H269 VanDerWaalsContact CA-ND1 3.34Å; V231-H269 WeakPolarHBondContact CA-ND1 3.23Å; V231-H269 WeakPolarHBondContact CB-ND1 3.09Å; F232-H269 HydrophobicContact CD2-CB 3.72Å; F232-H269 HydrophobicContact CE2-CB 4.06Å; F232-H269 PolarHBondContact N-ND1 3.38Å; R237-H269 VanDerWaalsContact CZ-CD2 3.43Å; R237-H269 PolarHBondContact NH1-CD2 3.12Å; R237-H269 PolarHBondContact NH2-CD2 3.02Å; R237-H269 PolarHBondContact NH2-CE1 2.82Å; R237-H269 PolarHBondContact NH2-NE2 3.18Å; D267-H269 PolarHBondContact O-N 3.39Å
270	I	98.7	Very high	98	Very high	0 Å²	0	58 Å²	58	0%	0	33%	0.332	C	S	.	.	B	Isolated β-bridge	trans	-131.9	115.7	175.6	-60.1	-70.5	0	0	0	108.7	I230 F232 Q241 C244 K245 I268 F274 V275	I230-I270 HydrophobicContact CD1-CB 3.88Å; I230-I270 HydrophobicContact CD1-CG1 4.09Å; I230-I270 HydrophobicContact CD1-CG2 4.2Å; I230-I270 HydrophobicContact CG1-CB 3.53Å; I230-I270 HydrophobicContact CG1-CG1 4.12Å; I230-I270 HydrophobicContact CG1-CG2 4.12Å; I230-I270 PolarHBondContact N-O 3.15Å; I230-I270 PolarHBondContact O-N 2.86Å; F232-I270 HydrophobicContact CE2-CG1 3.68Å; F232-I270 HydrophobicContact CZ-CG1 4.02Å; Q241-I270 HydrophobicContact CB-CD1 4.47Å; Q241-I270 HydrophobicContact CG-CD1 3.91Å; C244-I270 HydrophobicContact CB-CD1 4.04Å; C244-I270 HydrophobicContact CB-CG1 4.24Å; C244-I270 HydrophobicContact CB-CG2 4.22Å; K245-I270 HydrophobicContact CD-CD1 4.46Å; K245-I270 HydrophobicContact CG-CD1 4.33Å; I268-I270 VanDerWaalsContact CG2-C 3.5Å; I268-I270 WeakPolarHBondContact CG2-O 3.3Å; I270-F274 HydrophobicContact CG2-CB 3.83Å; I270-F274 HydrophobicContact CG2-CD2 4.19Å; I270-F274 HydrophobicContact CG2-CG 4.46Å; I270-V275 HydrophobicContact CG2-CG2 3.94Å
271	P	98.3	Very high	97.9	Very high	61 Å²	61	54.8 Å²	54.8	40%	0.396	32%	0.315	S	S	.	.			trans	-63.3	149	171.7	-22.2	33.5	0	0	0	111.9	I273 F274	P271-I273 HydrophobicContact CB-CG2 4.29Å; P271-I273 PolarHBondContact O-N 3.32Å; P271-F274 PolarHBondContact O-N 3.42Å; P271-F274 VanDerWaalsContact O-N 3.16Å
272	S	97.4	Very high	97.7	Very high	30 Å²	30	56.4 Å²	56.4	21%	0.21	32%	0.322	C	S	.	.	G	3₁₀ helix	trans	-57.6	-20.1	-175	60.4	0	0	0	0	115.7	S49 A227 G228 N229 F274 V275	S49-S272 PolarHBondContact OG-O 3.17Å; A227-S272 WeakPolarHBondContact O-CB 3.41Å; A227-S272 PolarHBondContact O-OG 3.5Å; G228-S272 WeakPolarHBondContact O-CA 3.4Å; N229-S272 PolarHBondContact OD1-N 2.98Å; S272-F274 PolarHBondContact O-N 2.9Å; S272-V275 PolarHBondContact O-N 3.33Å
273	I	96.9	Very high	97.5	Very high	122 Å²	122	56.4 Å²	56.4	63%	0.626	33%	0.325	S	S	*	.	G	3₁₀ helix	trans	-58.8	-29.2	176.9	-164.8	169.7	0	0	0	113.2	P271	P271-I273 HydrophobicContact CB-CG2 4.29Å; P271-I273 PolarHBondContact O-N 3.32Å
274	F	98.4	Very high	97.5	Very high	67 Å²	67	57 Å²	57	29%	0.294	33%	0.327	S	S	.	.	G	3₁₀ helix	trans	-88	-6.4	178.4	-62.1	-70.1	0	0	0	113.1	K245 T250 I270 P271 S272 H276	K245-F274 HydrophobicContact CB-CD1 4.02Å; K245-F274 HydrophobicContact CB-CE1 4.14Å; K245-F274 HydrophobicContact CG-CD1 3.95Å; K245-F274 HydrophobicContact CG-CD2 4.28Å; K245-F274 HydrophobicContact CG-CE1 4.12Å; K245-F274 HydrophobicContact CG-CE2 4.44Å; K245-F274 HydrophobicContact CG-CG 4.03Å; K245-F274 HydrophobicContact CG-CZ 4.37Å; T250-F274 WeakPolarHBondContact CB-O 3.27Å; T250-F274 PolarHBondContact OG1-O 3.48Å; I270-F274 HydrophobicContact CG2-CB 3.83Å; I270-F274 HydrophobicContact CG2-CD2 4.19Å; I270-F274 HydrophobicContact CG2-CG 4.46Å; P271-F274 PolarHBondContact O-N 3.42Å; P271-F274 VanDerWaalsContact O-N 3.16Å; S272-F274 PolarHBondContact O-N 2.9Å; F274-H276 PolarHBondContact O-ND1 3.33Å
275	V	98.4	Very high	97.4	Very high	0 Å²	0	59.8 Å²	59.8	0%	0	33%	0.332	C	S	.	.			trans	-109.4	112.8	-171.8	-178.4	0	0	0	0	109.6	S49 I230 V252 I270 S272 I278	S49-V275 WeakPolarHBondContact CA-O 3.25Å; S49-V275 WeakPolarHBondContact CB-O 3.49Å; S49-V275 PolarHBondContact OG-O 3.03Å; I230-V275 HydrophobicContact CD1-CG2 4.2Å; I230-V275 HydrophobicContact CG1-CG2 4.4Å; I230-V275 HydrophobicContact CG2-CG2 4.37Å; V252-V275 HydrophobicContact CB-CG1 4.31Å; V252-V275 HydrophobicContact CG2-CB 4.48Å; V252-V275 HydrophobicContact CG2-CG1 3.72Å; V252-V275 HydrophobicContact CG2-CG2 4.14Å; I270-V275 HydrophobicContact CG2-CG2 3.94Å; S272-V275 PolarHBondContact O-N 3.33Å; V275-I278 HydrophobicContact CG1-CD1 3.66Å; V275-I278 HydrophobicContact CG1-CG1 3.39Å
276	H	98.6	Very high	97.2	Very high	64 Å²	64	59 Å²	59	30%	0.296	32%	0.315	S	S	.	.			trans	-96.6	-40.9	-173.9	-56.6	85.5	0	0	0	111.6	Q50 T249 T250 F274	Q50-H276 PolarHBondContact N-O 2.79Å; T249-H276 HydrophobicContact CG2-CB 4.27Å; T250-H276 PolarHBondContact N-ND1 3.48Å; T250-H276 WeakPolarHBondContact O-CB 3.45Å; T250-H276 PolarHBondContact O-N 3.11Å; T250-H276 VanDerWaalsContact O-N 3.09Å; F274-H276 PolarHBondContact O-ND1 3.33Å
277	R	98.6	Very high	97.2	Very high	30 Å²	30	54.5 Å²	54.5	11%	0.113	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	137.2	179.8	-52.3	-173.5	-167.6	162.6	-1.1	110.4	Q50 Y52 A58 D61 T249 T250 I251 V252	Q50-R277 CarbonylContact O-C 3.54Å; Q50-R277 VanDerWaalsContact O-CA 3.31Å; Q50-R277 WeakPolarHBondContact O-CA 3.29Å; Y52-R277 HydrophobicContact CD2-CB 4.05Å; Y52-R277 HydrophobicContact CD2-CG 4.4Å; Y52-R277 HydrophobicContact CE2-CB 3.85Å; Y52-R277 HydrophobicContact CE2-CG 3.7Å; A58-R277 PolarHBondContact O-NH1 3.38Å; D61-R277 IonicContact OD1-CZ 2.88Å; D61-R277 IonicContact OD1-NH1 3.18Å; D61-R277 PolarHBondContact OD1-NH1 3.31Å; D61-R277 IonicContact OD1-NH2 3.96Å; D61-R277 IonicContact OD2-CZ 2.67Å; D61-R277 IonicContact OD2-NH1 2.67Å; D61-R277 PolarHBondContact OD2-NH1 3.15Å; D61-R277 IonicContact OD2-NH2 3.88Å; D61-R277 PolarHBondContact OD2-NH2 3.18Å; T249-R277 HydrophobicContact CG2-CG 4.5Å; T250-R277 PolarHBondContact O-N 2.84Å; I251-R277 WeakPolarHBondContact CA-O 3.26Å; I251-R277 HydrophobicContact CB-CB 4.39Å; I251-R277 HydrophobicContact CG1-CB 4.19Å; I251-R277 HydrophobicContact CG1-CG 4.38Å; I251-R277 HydrophobicContact CG2-CB 4.13Å; V252-R277 PolarHBondContact N-O 3.09Å
278	I	98.8	Very high	97.1	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	133.7	177.5	-63.6	167.7	0	0	0	109.4	Q50 F51 Y52 A224 G228 V252 V254 V275	Q50-I278 PolarHBondContact O-N 3.36Å; F51-I278 CarbonylContact C-O 3.49Å; F51-I278 WeakPolarHBondContact CA-O 3.48Å; F51-I278 HydrophobicContact CD1-CB 3.91Å; F51-I278 HydrophobicContact CD1-CG2 3.82Å; F51-I278 HydrophobicContact CE1-CB 3.91Å; F51-I278 HydrophobicContact CE1-CD1 3.91Å; F51-I278 HydrophobicContact CE1-CG2 3.63Å; F51-I278 HydrophobicContact CE2-CD1 4.21Å; F51-I278 HydrophobicContact CG-CB 4.45Å; F51-I278 HydrophobicContact CZ-CB 4.42Å; F51-I278 HydrophobicContact CZ-CD1 3.65Å; F51-I278 HydrophobicContact CZ-CG2 4.47Å; Y52-I278 PolarHBondContact N-O 2.86Å; A224-I278 HydrophobicContact CB-CD1 4.13Å; A224-I278 HydrophobicContact CB-CG2 4.13Å; G228-I278 VanDerWaalsContact CA-CD1 3.49Å; V252-I278 CarbonylContact O-C 3.5Å; V252-I278 VanDerWaalsContact O-CA 3.32Å; V252-I278 WeakPolarHBondContact O-CA 3.33Å; V254-I278 HydrophobicContact CG2-CG2 4.09Å; V275-I278 HydrophobicContact CG1-CD1 3.66Å; V275-I278 HydrophobicContact CG1-CG1 3.39Å
279	V	98.5	Very high	96.9	Very high	1 Å²	1	52.3 Å²	52.3	1%	0.006	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	134.2	171.3	171.5	0	0	0	0	108.3	P55 A58 V252 E253 V254	P55-V279 HydrophobicContact CB-CG1 4.05Å; P55-V279 HydrophobicContact CG-CG1 4.48Å; A58-V279 HydrophobicContact CB-CG2 3.62Å; V252-V279 PolarHBondContact O-N 2.77Å; E253-V279 CarbonylContact C-O 3.54Å; E253-V279 VanDerWaalsContact CA-O 3.24Å; E253-V279 WeakPolarHBondContact CA-O 3.2Å; V254-V279 PolarHBondContact N-O 3.48Å
280	Q	98.3	Very high	96.8	Very high	103 Å²	103	53.3 Å²	53.3	48%	0.481	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	118.4	164.2	-171.9	174.2	-25	0	0	108.3	V254 E255 V257	V254-Q280 WeakPolarHBondContact O-CA 3.37Å; E255-Q280 PolarHBondContact O-NE2 3.4Å; V257-Q280 HydrophobicContact CG2-CB 4.12Å
281	G	94.9	Very high	96.7	Very high	9 Å²	9	59.3 Å²	59.3	9%	0.093	30%	0.304	C	S	.	.			trans	-64.4	140.6	-179.2	0	0	0	0	0	111.6	V254 Y284	V254-G281 PolarHBondContact O-N 2.93Å; G281-Y284 WeakPolarHBondContact CA-OH 3.22Å; G281-Y284 PolarHBondContact N-OH 3.05Å
282	A	90.6	Very high	96.5	Very high	100 Å²	100	57.9 Å²	57.9	83%	0.826	29%	0.294	S	S	*	.	S	Bend	trans	-71.2	-36.4	-177.7	0	0	0	0	0	112.3
283	S	93.3	Very high	96.3	Very high	80 Å²	80	58.3 Å²	58.3	56%	0.559	30%	0.295	S	S	*	.			trans	-152	154.5	177.8	58.3	0	0	0	0	110	N81	N81-S283 PolarHBondContact ND2-O 3.33Å; N81-S283 PolarHBondContact OD1-O 2.99Å
284	Y	96.5	Very high	95.9	Very high	48 Å²	48	60.5 Å²	60.5	19%	0.188	30%	0.295	C	S	.	.			trans	-130.6	119.4	175.3	-70.7	-81.1	0	0	0	110.4	E80 N81 K220 E253 V254 E255 G281	E80-Y284 HydrophobicContact CG-CD1 3.93Å; E80-Y284 HydrophobicContact CG-CE1 4.26Å; E80-Y284 WeakPolarHBondContact OE1-CA 3.32Å; N81-Y284 WeakPolarHBondContact ND2-CE1 3.37Å; K220-Y284 HydrophobicContact CD-CE1 3.8Å; E253-Y284 WeakPolarHBondContact OE1-CE1 3.26Å; V254-Y284 VanDerWaalsContact C-OH 3.31Å; V254-Y284 PolarHBondContact O-OH 3.46Å; E255-Y284 HydrophobicContact CB-CE2 4.23Å; E255-Y284 HydrophobicContact CG-CD2 3.68Å; E255-Y284 HydrophobicContact CG-CE2 3.63Å; E255-Y284 HydrophobicContact CG-CG 4.19Å; G281-Y284 WeakPolarHBondContact CA-OH 3.22Å; G281-Y284 PolarHBondContact N-OH 3.05Å
285	E	97.2	Very high	94.9	Very high	105 Å²	105	63.9 Å²	63.9	49%	0.491	31%	0.31	S	S	.	.			trans	-71.7	-36.4	174.2	-168	-175.5	145.5	0	0	110.8	E80 F106 R287	E80-E285 PolarHBondContact OE1-N 3.4Å; E80-E285 PolarHBondContact OE2-N 2.95Å; F106-E285 HydrophobicContact CE2-CB 4.39Å; F106-E285 WeakPolarHBondContact CE2-OE2 3.49Å; F106-E285 HydrophobicContact CZ-CB 4Å; E285-R287 VanDerWaalsContact C-N 3.29Å; E285-R287 HydrophobicContact CG-CB 4.48Å; E285-R287 PolarHBondContact O-N 2.77Å; E285-R287 IonicContact OE1-CZ 3.37Å; E285-R287 IonicContact OE1-NE 2.78Å; E285-R287 PolarHBondContact OE1-NE 3.13Å; E285-R287 IonicContact OE1-NH2 3.25Å; E285-R287 PolarHBondContact OE1-NH2 3.08Å; E285-R287 IonicContact OE2-CZ 3.72Å; E285-R287 IonicContact OE2-NE 3.72Å; E285-R287 IonicContact OE2-NH2 2.62Å; E285-R287 PolarHBondContact OE2-NH2 3.26Å
286	K	94.5	Very high	93.3	Very high	59 Å²	59	66.5 Å²	66.5	26%	0.257	34%	0.337	S	S	.	.			trans	50.5	48.8	-175.7	-65.3	-158.2	175.6	-166.9	0	112.2	E80 E255 I288 A370 D371	E80-K286 PolarHBondContact OE2-N 3.12Å; E255-K286 VanDerWaalsContact CD-CE 3.4Å; E255-K286 WeakPolarHBondContact OE1-CE 3.5Å; E255-K286 IonicContact OE1-NZ 3.96Å; E255-K286 PolarHBondContact OE1-NZ 3.35Å; E255-K286 WeakPolarHBondContact OE2-CE 3.2Å; E255-K286 IonicContact OE2-NZ 2.8Å; E255-K286 PolarHBondContact OE2-NZ 3.17Å; K286-I288 PolarHBondContact O-N 3.37Å; K286-A370 HydrophobicContact CB-CB 3.81Å; K286-A370 WeakPolarHBondContact O-CB 3.35Å; K286-D371 IonicContact NZ-OD1 2.74Å; K286-D371 IonicContact NZ-OD2 3.75Å; K286-D371 PolarHBondContact NZ-OD2 3.05Å
287	R	97.4	Very high	91.2	Very high	68 Å²	68	72.9 Å²	72.9	26%	0.257	37%	0.367	S	S	.	.			trans	-59.8	130.4	-177.1	-172.3	176.2	-65.1	173.5	10.2	111.4	L75 N105 F106 E285	L75-R287 WeakPolarHBondContact CB-O 3.35Å; L75-R287 HydrophobicContact CD1-CB 4.13Å; L75-R287 HydrophobicContact CD1-CG 3.93Å; N105-R287 PolarHBondContact OD1-NH1 3.26Å; F106-R287 HydrophobicContact CD1-CB 3.94Å; F106-R287 HydrophobicContact CE1-CB 3.72Å; F106-R287 HydrophobicContact CZ-CB 4.23Å; E285-R287 VanDerWaalsContact C-N 3.29Å; E285-R287 HydrophobicContact CG-CB 4.48Å; E285-R287 PolarHBondContact O-N 2.77Å; E285-R287 IonicContact OE1-CZ 3.37Å; E285-R287 IonicContact OE1-NE 2.78Å; E285-R287 PolarHBondContact OE1-NE 3.13Å; E285-R287 IonicContact OE1-NH2 3.25Å; E285-R287 PolarHBondContact OE1-NH2 3.08Å; E285-R287 IonicContact OE2-CZ 3.72Å; E285-R287 IonicContact OE2-NE 3.72Å; E285-R287 IonicContact OE2-NH2 2.62Å; E285-R287 PolarHBondContact OE2-NH2 3.26Å
288	I	97.4	Very high	88.8	Confident	50 Å²	50	80.6 Å²	80.6	26%	0.256	40%	0.404	S	S	.	.			trans	-94.6	121.1	175.3	-61.3	167.3	0	0	0	108.8	K286 R291 V368 A370 T379	K286-I288 PolarHBondContact O-N 3.37Å; I288-R291 HydrophobicContact CG2-CB 3.99Å; I288-V368 HydrophobicContact CD1-CG1 3.47Å; I288-V368 VanDerWaalsContact CD1-CG1 3.47Å; I288-A370 HydrophobicContact CD1-CB 4.25Å; I288-A370 HydrophobicContact CG1-CB 3.67Å; I288-T379 HydrophobicContact CD1-CG2 4.02Å; I288-T379 HydrophobicContact CG1-CG2 4.35Å; I288-T379 HydrophobicContact CG2-CG2 3.55Å
289	E	94.5	Very high	86.6	Confident	51 Å²	51	86.1 Å²	86.1	24%	0.238	43%	0.43	C	S	.	.	S	Bend	trans	-66.9	-51.1	-179.3	-169.2	-175.3	132.4	0	0	112.1	L75 V103 K377	L75-E289 HydrophobicContact CD1-CB 4.08Å; L75-E289 HydrophobicContact CG-CB 4.2Å; V103-E289 HydrophobicContact CG1-CG 4.12Å; E289-K377 HydrophobicContact CB-CB 4.22Å; E289-K377 HydrophobicContact CG-CB 4.46Å
290	K	95.3	Very high	84.3	Confident	72 Å²	72	95.3 Å²	95.3	31%	0.313	47%	0.47	S	S	.	.	B	Isolated β-bridge	trans	-127.2	83	178.9	-58.1	-176.5	-176.9	178.7	0	110.6	E127 T292 K377 E378 T379	E127-K290 IonicContact OE1-NZ 3.77Å; E127-K290 PolarHBondContact OE1-NZ 2.68Å; E127-K290 VanDerWaalsContact OE1-NZ 3.16Å; K290-T292 PolarHBondContact O-N 3.08Å; K290-T292 VanDerWaalsContact O-N 3.07Å; K290-T292 PolarHBondContact O-OG1 3.38Å; K290-T292 VanDerWaalsContact O-OG1 3.1Å; K290-K377 WeakPolarHBondContact CB-O 3.46Å; K290-K377 PolarHBondContact N-O 2.91Å; K290-E378 HydrophobicContact CB-CG 4.19Å; K290-E378 WeakPolarHBondContact O-CA 3.16Å; K290-T379 PolarHBondContact O-N 2.74Å
291	R	96.1	Very high	82.4	Confident	126 Å²	126	96.4 Å²	96.4	48%	0.475	49%	0.486	S	S	.	.			trans	-63.7	113.5	176.6	-171.2	-174.6	-168.6	-88.5	-2.2	109.8	I288 E365	I288-R291 HydrophobicContact CG2-CB 3.99Å; R291-E365 IonicContact CZ-OE1 3.3Å; R291-E365 IonicContact CZ-OE2 3.57Å; R291-E365 IonicContact NH1-OE1 3.75Å; R291-E365 PolarHBondContact NH1-OE1 2.89Å; R291-E365 IonicContact NH1-OE2 3.47Å; R291-E365 PolarHBondContact NH1-OE2 3.38Å; R291-E365 IonicContact NH2-OE1 3.48Å; R291-E365 IonicContact NH2-OE2 3.2Å; R291-E365 PolarHBondContact NH2-OE2 3.46Å
292	T	94.1	Very high	80.7	Confident	30 Å²	30	104.5 Å²	104.5	18%	0.184	52%	0.519	C	S	.	.			trans	-128.5	123.4	-175.9	-53.4	0	0	0	0	109.2	K290 Y362 P363 T379	K290-T292 PolarHBondContact O-N 3.08Å; K290-T292 VanDerWaalsContact O-N 3.07Å; K290-T292 PolarHBondContact O-OG1 3.38Å; K290-T292 VanDerWaalsContact O-OG1 3.1Å; T292-Y362 HydrophobicContact CG2-CD1 3.66Å; T292-Y362 HydrophobicContact CG2-CD2 3.77Å; T292-Y362 HydrophobicContact CG2-CE1 3.7Å; T292-Y362 HydrophobicContact CG2-CE2 3.82Å; T292-Y362 HydrophobicContact CG2-CG 3.69Å; T292-P363 WeakPolarHBondContact O-CD 3.17Å; T292-P363 WeakPolarHBondContact O-CG 3.2Å; T292-T379 PolarHBondContact N-OG1 3.23Å; T292-T379 PolarHBondContact O-OG1 3.33Å
293	V	94.8	Very high	79.4	Confident	40 Å²	40	105.8 Å²	105.8	24%	0.242	52%	0.518	C	S	.	.			trans	-123.4	149.2	-179.4	-68	0	0	0	0	109.8	K295 P363 E365 V368	V293-K295 PolarHBondContact O-N 3.02Å; V293-P363 CarbonylContact C-O 3.59Å; V293-P363 VanDerWaalsContact CA-O 3.29Å; V293-P363 WeakPolarHBondContact CA-O 3.5Å; V293-E365 WeakPolarHBondContact CG2-OE1 3.46Å; V293-V368 HydrophobicContact CG1-CG2 3.57Å
294	R	88.2	Confident	78.4	Confident	168 Å²	168	107.9 Å²	107.9	63%	0.634	52%	0.518	S	S	*	.	P	Polyproline II helix	trans	-63.9	123.1	173.2	-174.1	177.1	-179.3	-171.7	1.8	109	P363	R294-P363 PolarHBondContact N-O 3.49Å
295	K	76.7	Confident	77.7	Confident	138 Å²	138	112.5 Å²	112.5	60%	0.6	54%	0.539	S	S	*	.	P	Polyproline II helix	trans	-68.4	133.1	173.2	-67.8	176.2	161.2	-140.3	0	109.9	V293 E299	V293-K295 PolarHBondContact O-N 3.02Å; K295-E299 WeakPolarHBondContact CD-OE2 3.35Å; K295-E299 IonicContact NZ-OE1 2.9Å; K295-E299 PolarHBondContact NZ-OE1 3.36Å; K295-E299 IonicContact NZ-OE2 3.21Å; K295-E299 PolarHBondContact NZ-OE2 2.8Å
296	G	65.9	Low	76.7	Confident	55 Å²	55	114 Å²	114	57%	0.567	55%	0.55	S	S	*	.	P	Polyproline II helix	trans	-64.2	156.9	172.7	0	0	0	0	0	111.7	E298	G296-E298 PolarHBondContact O-N 3.14Å
297	Q	53.2	Low	75.9	Confident	198 Å²	198	113.7 Å²	113.7	93%	0.925	56%	0.555	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.1	-7.5	-179.3	-75.9	177	-20.8	0	0	114.5
298	E	48.4	Very low	75.2	Confident	191 Å²	191	113.3 Å²	113.3	89%	0.893	56%	0.558	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.2	-3.7	-172.8	-65.3	-175.1	165.8	0	0	115.2	G296 K300	G296-E298 PolarHBondContact O-N 3.14Å; E298-K300 PolarHBondContact O-N 2.95Å
299	E	52.6	Low	74.6	Confident	117 Å²	117	114.7 Å²	114.7	55%	0.547	57%	0.566	S	S	.	*	S	Bend	trans	-72.2	112.7	173.5	-81.6	-168.3	-179.5	0	0	110.7	K295	K295-E299 WeakPolarHBondContact CD-OE2 3.35Å; K295-E299 IonicContact NZ-OE1 2.9Å; K295-E299 PolarHBondContact NZ-OE1 3.36Å; K295-E299 IonicContact NZ-OE2 3.21Å; K295-E299 PolarHBondContact NZ-OE2 2.8Å
300	K	51.3	Low	74.3	Confident	193 Å²	193	114.2 Å²	114.2	84%	0.839	57%	0.566	S	S	*	*	P	Polyproline II helix	trans	-51.9	127.2	170.5	-72.7	-178	178.7	177.8	0	109.6	E298 K302	E298-K300 PolarHBondContact O-N 2.95Å; K300-K302 PolarHBondContact O-N 3.36Å; K300-K302 VanDerWaalsContact O-N 3.17Å
301	P	57.5	Low	74.1	Confident	127 Å²	127	116.4 Å²	116.4	83%	0.825	57%	0.572	S	S	*	*	P	Polyproline II helix	trans	-60.7	123.1	-179	21.4	-30	0	0	0	109.7
302	K	59.7	Low	73.9	Confident	179 Å²	179	112.6 Å²	112.6	78%	0.778	56%	0.56	S	S	*	*	P	Polyproline II helix	trans	-65.2	148.3	171.5	-70.3	-177.8	-179.6	178.2	0	109.2	K300 K304	K300-K302 PolarHBondContact O-N 3.36Å; K300-K302 VanDerWaalsContact O-N 3.17Å; K302-K304 PolarHBondContact O-N 3Å
303	P	63.6	Low	74	Confident	126 Å²	126	113.3 Å²	113.3	82%	0.818	56%	0.559	S	S	*	*	P	Polyproline II helix	trans	-55	125.4	171.7	-18.8	29.5	0	0	0	109.6
304	K	72.4	Confident	74.2	Confident	125 Å²	125	111.4 Å²	111.4	54%	0.543	55%	0.547	S	S	.	.	P	Polyproline II helix	trans	-69.1	130.5	178.8	-69.8	-178.8	179.3	175.3	0	109	K302 D308 I309 E312	K302-K304 PolarHBondContact O-N 3Å; K304-D308 HydrophobicContact CB-CB 4.32Å; K304-I309 HydrophobicContact CB-CG1 4.17Å; K304-E312 WeakPolarHBondContact CE-OE2 3.48Å; K304-E312 IonicContact NZ-OE1 3.8Å; K304-E312 PolarHBondContact NZ-OE1 3.35Å; K304-E312 IonicContact NZ-OE2 3.68Å; K304-E312 PolarHBondContact NZ-OE2 3.19Å
305	K	80.1	Confident	74.6	Confident	145 Å²	145	104.1 Å²	104.1	63%	0.63	52%	0.521	S	S	*	.	P	Polyproline II helix	trans	-75.6	159	170	-61.6	175.9	179.3	178.5	0	109.2	S307 D308 I309	K305-S307 PolarHBondContact O-N 3.46Å; K305-S307 VanDerWaalsContact O-N 3.15Å; K305-D308 WeakPolarHBondContact CB-OD2 3.44Å; K305-D308 PolarHBondContact N-OD2 3.42Å; K305-D308 WeakPolarHBondContact O-CA 3.18Å; K305-D308 VanDerWaalsContact O-CB 3.32Å; K305-D308 WeakPolarHBondContact O-CB 3.33Å; K305-D308 PolarHBondContact O-N 3.14Å; K305-I309 PolarHBondContact O-N 2.87Å; K305-I309 VanDerWaalsContact O-N 3.17Å
306	D	76.8	Confident	75.6	Confident	135 Å²	135	101.4 Å²	101.4	72%	0.722	51%	0.507	S	S	*	.	H	α-helix	trans	-54.9	-36.2	176.3	-63.5	-20.4	0	0	0	112.6	D308 I309 V310	D306-D308 VanDerWaalsContact C-N 3.27Å; D306-D308 PolarHBondContact O-N 2.84Å; D306-I309 PolarHBondContact O-N 3.47Å; D306-V310 WeakPolarHBondContact O-CG2 3.24Å; D306-V310 PolarHBondContact O-N 3.24Å
307	S	78.6	Confident	77.1	Confident	53 Å²	53	99.1 Å²	99.1	37%	0.371	48%	0.481	S	S	.	.	H	α-helix	trans	-62.8	-32.3	173.8	58.5	0	0	0	0	113.4	K305 R311	K305-S307 PolarHBondContact O-N 3.46Å; K305-S307 VanDerWaalsContact O-N 3.15Å; S307-R311 VanDerWaalsContact O-CG 3.3Å; S307-R311 WeakPolarHBondContact O-CG 3.5Å; S307-R311 PolarHBondContact O-N 2.93Å; S307-R311 VanDerWaalsContact O-N 3.13Å
308	D	81.6	Confident	79.2	Confident	61 Å²	61	89.7 Å²	89.7	33%	0.326	44%	0.437	S	S	.	.	H	α-helix	trans	-75.2	-37.9	-179.4	-54.9	-29.3	0	0	0	109.9	K304 K305 D306 R311 E312	K304-D308 HydrophobicContact CB-CB 4.32Å; K305-D308 WeakPolarHBondContact CB-OD2 3.44Å; K305-D308 PolarHBondContact N-OD2 3.42Å; K305-D308 WeakPolarHBondContact O-CA 3.18Å; K305-D308 VanDerWaalsContact O-CB 3.32Å; K305-D308 WeakPolarHBondContact O-CB 3.33Å; K305-D308 PolarHBondContact O-N 3.14Å; D306-D308 VanDerWaalsContact C-N 3.27Å; D306-D308 PolarHBondContact O-N 2.84Å; D308-R311 PolarHBondContact O-N 2.8Å; D308-E312 VanDerWaalsContact O-CB 3.29Å; D308-E312 WeakPolarHBondContact O-CB 3.23Å; D308-E312 PolarHBondContact O-N 3.09Å
309	I	85.4	Confident	81.6	Confident	79 Å²	79	80.8 Å²	80.8	41%	0.405	40%	0.396	S	S	.	.	H	α-helix	trans	-62.8	-46.6	174.6	-62	170.9	0	0	0	110.6	K304 K305 D306 R311 E312 R313	K304-I309 HydrophobicContact CB-CG1 4.17Å; K305-I309 PolarHBondContact O-N 2.87Å; K305-I309 VanDerWaalsContact O-N 3.17Å; D306-I309 PolarHBondContact O-N 3.47Å; I309-R311 VanDerWaalsContact C-N 3.34Å; I309-R311 PolarHBondContact O-N 3.44Å; I309-E312 PolarHBondContact O-N 3.4Å; I309-R313 PolarHBondContact O-N 3.06Å; I309-R313 VanDerWaalsContact O-N 3.08Å
310	V	87.7	Confident	83.7	Confident	40 Å²	40	77.5 Å²	77.5	24%	0.242	38%	0.382	C	S	.	.	H	α-helix	trans	-57.5	-46.7	176.5	160.8	0	0	0	0	111.2	D306 I314 E451 E481	D306-V310 WeakPolarHBondContact O-CG2 3.24Å; D306-V310 PolarHBondContact O-N 3.24Å; V310-I314 PolarHBondContact O-N 3.04Å; V310-E451 HydrophobicContact CG1-CG 4.24Å; V310-E481 HydrophobicContact CG1-CB 3.74Å; V310-E481 HydrophobicContact CG1-CG 3.74Å; V310-E481 HydrophobicContact CG2-CG 4.5Å
311	R	91.1	Very high	85.9	Confident	118 Å²	118	68.7 Å²	68.7	45%	0.445	34%	0.344	S	S	.	.	H	α-helix	trans	-67.9	-42.9	179.1	-74	174.6	-179.2	178.5	-2.2	112.5	S307 D308 I309 R313 I314 I315 I334 E451	S307-R311 VanDerWaalsContact O-CG 3.3Å; S307-R311 WeakPolarHBondContact O-CG 3.5Å; S307-R311 PolarHBondContact O-N 2.93Å; S307-R311 VanDerWaalsContact O-N 3.13Å; D308-R311 PolarHBondContact O-N 2.8Å; I309-R311 VanDerWaalsContact C-N 3.34Å; I309-R311 PolarHBondContact O-N 3.44Å; R311-R313 VanDerWaalsContact C-N 3.25Å; R311-R313 PolarHBondContact O-N 2.72Å; R311-I314 WeakPolarHBondContact O-CB 3.47Å; R311-I314 PolarHBondContact O-N 3.08Å; R311-I314 VanDerWaalsContact O-N 3.11Å; R311-I315 VanDerWaalsContact O-CG1 3.23Å; R311-I315 WeakPolarHBondContact O-CG1 3.41Å; R311-I315 PolarHBondContact O-N 3.34Å; R311-I334 HydrophobicContact CG-CD1 4.32Å; R311-E451 IonicContact NE-OE1 2.89Å; R311-E451 IonicContact NH2-OE1 2.7Å
312	E	93.1	Very high	87.9	Confident	46 Å²	46	63.2 Å²	63.2	22%	0.215	31%	0.307	C	S	.	.	H	α-helix	trans	-59	-38.7	178.6	-176.2	174.9	-175.9	0	0	112	K304 D308 I309 I314 I315 R316	K304-E312 WeakPolarHBondContact CE-OE2 3.48Å; K304-E312 IonicContact NZ-OE1 3.8Å; K304-E312 PolarHBondContact NZ-OE1 3.35Å; K304-E312 IonicContact NZ-OE2 3.68Å; K304-E312 PolarHBondContact NZ-OE2 3.19Å; D308-E312 VanDerWaalsContact O-CB 3.29Å; D308-E312 WeakPolarHBondContact O-CB 3.23Å; D308-E312 PolarHBondContact O-N 3.09Å; I309-E312 PolarHBondContact O-N 3.4Å; E312-I314 VanDerWaalsContact C-N 3.34Å; E312-I314 PolarHBondContact O-N 3.33Å; E312-I315 WeakPolarHBondContact O-CB 3.46Å; E312-I315 PolarHBondContact O-N 2.64Å; E312-R316 HydrophobicContact CG-CG 4.27Å; E312-R316 WeakPolarHBondContact O-CB 3.15Å; E312-R316 WeakPolarHBondContact O-CG 3.07Å; E312-R316 PolarHBondContact O-N 3.38Å; E312-R316 IonicContact OE1-NH1 2.87Å
313	R	95.6	Very high	89.7	Confident	45 Å²	45	61 Å²	61	17%	0.17	30%	0.299	C	S	.	.	H	α-helix	trans	-58.1	-45.5	174.1	-175.4	-171	-63.5	175.1	1.3	112.5	I309 R311 R317 E481 W499 M524 Q526	I309-R313 PolarHBondContact O-N 3.06Å; I309-R313 VanDerWaalsContact O-N 3.08Å; R311-R313 VanDerWaalsContact C-N 3.25Å; R311-R313 PolarHBondContact O-N 2.72Å; R313-R317 WeakPolarHBondContact O-CB 3.23Å; R313-R317 PolarHBondContact O-N 3.45Å; R313-R317 VanDerWaalsContact O-N 3.08Å; R313-E481 WeakPolarHBondContact CD-O 3.31Å; R313-E481 PolarHBondContact NH1-O 3.28Å; R313-W499 HydrophobicContact CG-CD2 4.41Å; R313-W499 HydrophobicContact CG-CE3 3.74Å; R313-W499 HydrophobicContact CG-CH2 4.31Å; R313-W499 HydrophobicContact CG-CZ3 3.67Å; R313-W499 VanDerWaalsContact CZ-NE1 3.3Å; R313-W499 VanDerWaalsContact NE-CD2 3.28Å; R313-W499 VanDerWaalsContact NE-CE2 3.32Å; R313-M524 HydrophobicContact CG-SD 4.14Å; R313-Q526 PolarHBondContact O-NE2 3.38Å; R313-Q526 VanDerWaalsContact O-NE2 3.12Å; R313-Q526 PolarHBondContact O-OE1 3.37Å
314	I	97.9	Very high	91.3	Very high	0 Å²	0	60.1 Å²	60.1	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-64	-46.9	176.9	-56.9	169.8	0	0	0	109.5	V310 R311 E312 R316 R317 A318 I334 T449 E451 I479 E481	V310-I314 PolarHBondContact O-N 3.04Å; R311-I314 WeakPolarHBondContact O-CB 3.47Å; R311-I314 PolarHBondContact O-N 3.08Å; R311-I314 VanDerWaalsContact O-N 3.11Å; E312-I314 VanDerWaalsContact C-N 3.34Å; E312-I314 PolarHBondContact O-N 3.33Å; I314-R316 PolarHBondContact O-N 2.87Å; I314-R317 PolarHBondContact O-N 3.38Å; I314-A318 WeakPolarHBondContact O-CB 3.32Å; I314-A318 PolarHBondContact O-N 3.33Å; I314-I334 HydrophobicContact CB-CD1 4.43Å; I314-I334 HydrophobicContact CB-CG2 4.27Å; I314-I334 HydrophobicContact CD1-CD1 4.09Å; I314-I334 HydrophobicContact CG2-CD1 4.32Å; I314-I334 HydrophobicContact CG2-CG2 3.7Å; I314-T449 HydrophobicContact CG2-CG2 4.23Å; I314-E451 HydrophobicContact CD1-CG 4.44Å; I314-I479 HydrophobicContact CG2-CG2 4.1Å; I314-E481 HydrophobicContact CD1-CB 4.13Å; I314-E481 HydrophobicContact CG1-CB 3.95Å
315	I	97.3	Very high	92.5	Very high	15 Å²	15	56 Å²	56	8%	0.077	28%	0.281	C	S	.	.	H	α-helix	trans	-56.9	-50.5	-179.5	-69.2	164.4	0	0	0	111	R311 E312 A318 A319 I334 L337 A338 F341	R311-I315 VanDerWaalsContact O-CG1 3.23Å; R311-I315 WeakPolarHBondContact O-CG1 3.41Å; R311-I315 PolarHBondContact O-N 3.34Å; E312-I315 WeakPolarHBondContact O-CB 3.46Å; E312-I315 PolarHBondContact O-N 2.64Å; I315-A318 PolarHBondContact O-N 3.1Å; I315-A319 PolarHBondContact O-N 2.86Å; I315-I334 HydrophobicContact CG1-CB 4.28Å; I315-I334 HydrophobicContact CG1-CG1 4.28Å; I315-I334 HydrophobicContact CG1-CG2 3.77Å; I315-L337 HydrophobicContact CD1-CB 3.82Å; I315-L337 HydrophobicContact CD1-CD1 3.73Å; I315-L337 HydrophobicContact CD1-CG 4.45Å; I315-L337 HydrophobicContact CG1-CB 4.1Å; I315-L337 HydrophobicContact CG2-CB 4.16Å; I315-A338 HydrophobicContact CG2-CB 4.4Å; I315-F341 HydrophobicContact CG2-CD2 3.64Å; I315-F341 HydrophobicContact CG2-CE2 3.48Å; I315-F341 VanDerWaalsContact CG2-CE2 3.48Å
316	R	97.1	Very high	93.3	Very high	81 Å²	81	49.9 Å²	49.9	31%	0.306	26%	0.255	S	S	.	.	H	α-helix	trans	-66.3	-37.8	-179	-71.8	179.3	83.5	128.1	1.1	112.4	E312 I314 F341 Q526 I527	E312-R316 HydrophobicContact CG-CG 4.27Å; E312-R316 WeakPolarHBondContact O-CB 3.15Å; E312-R316 WeakPolarHBondContact O-CG 3.07Å; E312-R316 PolarHBondContact O-N 3.38Å; E312-R316 IonicContact OE1-NH1 2.87Å; I314-R316 PolarHBondContact O-N 2.87Å; R316-F341 HydrophobicContact CG-CD1 4.41Å; R316-F341 HydrophobicContact CG-CE1 4.19Å; R316-F341 HydrophobicContact CG-CZ 4.33Å; R316-Q526 VanDerWaalsContact CB-OE1 3.24Å; R316-I527 HydrophobicContact CB-CG2 4.03Å; R316-I527 HydrophobicContact CG-CG2 4.25Å; R316-I527 PolarHBondContact NE-O 3.4Å; R316-I527 PolarHBondContact NH2-O 3.03Å
317	R	98	Very high	94.4	Very high	7 Å²	7	47.7 Å²	47.7	3%	0.026	24%	0.237	C	C	.	.	H	α-helix	trans	-68.4	-42	173.8	178.5	56.2	-169.4	72.1	-0.6	111.4	R313 I314 A319 L320 E321 I479 V484 E497 M524 Q525	R313-R317 WeakPolarHBondContact O-CB 3.23Å; R313-R317 PolarHBondContact O-N 3.45Å; R313-R317 VanDerWaalsContact O-N 3.08Å; I314-R317 PolarHBondContact O-N 3.38Å; R317-A319 VanDerWaalsContact C-N 3.26Å; R317-A319 PolarHBondContact O-N 2.8Å; R317-L320 WeakPolarHBondContact O-CB 3.1Å; R317-L320 PolarHBondContact O-N 3.45Å; R317-L320 VanDerWaalsContact O-N 3.15Å; R317-E321 IonicContact CZ-OE1 3.27Å; R317-E321 IonicContact NH1-OE1 3.66Å; R317-E321 PolarHBondContact NH1-OE1 3.17Å; R317-E321 IonicContact NH2-OE1 3.83Å; R317-E321 PolarHBondContact NH2-OE1 3.37Å; R317-I479 HydrophobicContact CB-CG2 4Å; R317-I479 HydrophobicContact CG-CG2 3.69Å; R317-V484 HydrophobicContact CG-CG2 3.95Å; R317-E497 WeakPolarHBondContact CD-OE2 3.18Å; R317-E497 IonicContact CZ-OE1 3.82Å; R317-E497 IonicContact CZ-OE2 3.7Å; R317-E497 VanDerWaalsContact NE-CD 3.34Å; R317-E497 IonicContact NE-OE1 2.68Å; R317-E497 PolarHBondContact NE-OE1 3.13Å; R317-E497 IonicContact NE-OE2 3.17Å; R317-E497 PolarHBondContact NE-OE2 2.77Å; R317-E497 IonicContact NH2-OE1 2.75Å; R317-E497 PolarHBondContact NH2-OE1 2.81Å; R317-E497 IonicContact NH2-OE2 3.07Å; R317-M524 HydrophobicContact CB-SD 4.49Å; R317-M524 HydrophobicContact CG-CG 4.17Å; R317-Q525 WeakPolarHBondContact CD-O 3.26Å
318	A	98.1	Very high	95.3	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-63	-33.2	179.8	0	0	0	0	0	112.3	I314 I315 L320 E321 A338 M407 T449 I479	I314-A318 WeakPolarHBondContact O-CB 3.32Å; I314-A318 PolarHBondContact O-N 3.33Å; I315-A318 PolarHBondContact O-N 3.1Å; A318-L320 PolarHBondContact O-N 3.06Å; A318-E321 WeakPolarHBondContact O-CB 3.36Å; A318-E321 WeakPolarHBondContact O-CG 3.25Å; A318-E321 PolarHBondContact O-N 3.34Å; A318-A338 HydrophobicContact CB-CB 3.99Å; A318-M407 HydrophobicContact CB-CE 4Å; A318-M407 HydrophobicContact CB-SD 3.75Å; A318-M407 WeakPolarHBondContact O-CE 3.29Å; A318-T449 HydrophobicContact CB-CG2 3.71Å; A318-I479 HydrophobicContact CB-CD1 4.22Å
319	A	97.4	Very high	96.1	Very high	4 Å²	4	42.4 Å²	42.4	3%	0.033	21%	0.205	C	C	.	.	G	3₁₀ helix	trans	-61.5	-22.1	175.5	0	0	0	0	0	114	I315 R317 E321 F322 A338 F341 I527	I315-A319 PolarHBondContact O-N 2.86Å; R317-A319 VanDerWaalsContact C-N 3.26Å; R317-A319 PolarHBondContact O-N 2.8Å; A319-E321 PolarHBondContact O-N 3.02Å; A319-F322 HydrophobicContact CB-CD2 4.37Å; A319-F322 VanDerWaalsContact O-CD2 3.27Å; A319-F322 WeakPolarHBondContact O-CD2 3.39Å; A319-F322 PolarHBondContact O-N 2.79Å; A319-A338 HydrophobicContact CB-CB 4.45Å; A319-F341 HydrophobicContact CB-CB 3.62Å; A319-I527 HydrophobicContact CB-CG2 4.37Å
320	L	97.6	Very high	96.7	Very high	48 Å²	48	39.1 Å²	39.1	25%	0.251	19%	0.188	S	C	.	.	G	3₁₀ helix	trans	-74.9	-7.1	174.5	-62.3	175.4	0	0	0	113.4	R317 A318 Q525 I527	R317-L320 WeakPolarHBondContact O-CB 3.1Å; R317-L320 PolarHBondContact O-N 3.45Å; R317-L320 VanDerWaalsContact O-N 3.15Å; A318-L320 PolarHBondContact O-N 3.06Å; L320-Q525 HydrophobicContact CD1-CB 3.38Å; L320-I527 HydrophobicContact CD2-CB 3.92Å; L320-I527 HydrophobicContact CD2-CD1 4.33Å; L320-I527 HydrophobicContact CD2-CG1 4.31Å; L320-I527 HydrophobicContact CG-CB 4.38Å
321	E	98.1	Very high	96.9	Very high	8 Å²	8	37.8 Å²	37.8	4%	0.037	18%	0.183	C	C	.	.	G	3₁₀ helix	trans	-80.6	-5.8	171.6	-58.1	-62.3	135.9	0	0	112.7	R317 A318 A319 L405 M407 K445 V447 R477 I479	R317-E321 IonicContact CZ-OE1 3.27Å; R317-E321 IonicContact NH1-OE1 3.66Å; R317-E321 PolarHBondContact NH1-OE1 3.17Å; R317-E321 IonicContact NH2-OE1 3.83Å; R317-E321 PolarHBondContact NH2-OE1 3.37Å; A318-E321 WeakPolarHBondContact O-CB 3.36Å; A318-E321 WeakPolarHBondContact O-CG 3.25Å; A318-E321 PolarHBondContact O-N 3.34Å; A319-E321 PolarHBondContact O-N 3.02Å; E321-L405 HydrophobicContact CB-CD2 4.17Å; E321-M407 HydrophobicContact CB-CE 4.12Å; E321-M407 HydrophobicContact CG-CE 4.38Å; E321-K445 WeakPolarHBondContact OE2-CE 3.31Å; E321-K445 IonicContact OE2-NZ 2.73Å; E321-K445 PolarHBondContact OE2-NZ 3.15Å; E321-V447 HydrophobicContact CG-CG1 4.37Å; E321-V447 HydrophobicContact CG-CG2 4.38Å; E321-R477 VanDerWaalsContact CD-NH1 3.3Å; E321-R477 WeakPolarHBondContact OE1-CD 3.38Å; E321-R477 IonicContact OE1-CZ 2.77Å; E321-R477 IonicContact OE1-NE 2.73Å; E321-R477 IonicContact OE1-NH1 3.79Å; E321-R477 PolarHBondContact OE1-NH1 2.82Å; E321-R477 IonicContact OE2-CZ 3.18Å; E321-R477 IonicContact OE2-NH1 3.38Å; E321-R477 PolarHBondContact OE2-NH1 3.05Å; E321-I479 HydrophobicContact CG-CD1 3.79Å
322	F	98.1	Very high	96.8	Very high	13 Å²	13	37.5 Å²	37.5	6%	0.057	19%	0.189	C	C	.	.			trans	-82.6	133.3	177.1	-64.5	-57	0	0	0	112.1	A319 M326 A328 L330 A338 I342 I346 V348 L405	A319-F322 HydrophobicContact CB-CD2 4.37Å; A319-F322 VanDerWaalsContact O-CD2 3.27Å; A319-F322 WeakPolarHBondContact O-CD2 3.39Å; A319-F322 PolarHBondContact O-N 2.79Å; F322-M326 WeakPolarHBondContact CA-SD 3.32Å; F322-M326 HydrophobicContact CB-SD 4.09Å; F322-M326 HydrophobicContact CD1-SD 3.71Å; F322-M326 HydrophobicContact CG-SD 4.4Å; F322-A328 HydrophobicContact CE1-CB 4.21Å; F322-L330 HydrophobicContact CE1-CD1 4.31Å; F322-L330 HydrophobicContact CE1-CD2 3.95Å; F322-L330 HydrophobicContact CZ-CD1 3.89Å; F322-L330 HydrophobicContact CZ-CD2 3.89Å; F322-A338 HydrophobicContact CE2-CB 4.07Å; F322-A338 HydrophobicContact CZ-CB 4.48Å; F322-I342 HydrophobicContact CB-CG1 4.41Å; F322-I342 HydrophobicContact CD2-CD1 4.2Å; F322-I342 HydrophobicContact CD2-CG1 3.45Å; F322-I342 VanDerWaalsContact CD2-CG1 3.45Å; F322-I342 HydrophobicContact CE2-CD1 4.21Å; F322-I342 HydrophobicContact CE2-CG1 3.78Å; F322-I342 HydrophobicContact CG-CD1 4.45Å; F322-I342 HydrophobicContact CG-CG1 3.91Å; F322-I342 HydrophobicContact CZ-CD1 4.44Å; F322-I342 HydrophobicContact CZ-CG1 4.47Å; F322-I346 HydrophobicContact CB-CD1 4.07Å; F322-V348 HydrophobicContact CB-CG2 3.93Å; F322-V348 HydrophobicContact CD1-CG1 4.01Å; F322-V348 HydrophobicContact CD1-CG2 4.17Å; F322-V348 HydrophobicContact CE1-CG1 4.34Å; F322-V348 HydrophobicContact CG-CG2 4.21Å; F322-L405 HydrophobicContact CD1-CD2 4.2Å; F322-L405 HydrophobicContact CE1-CD2 4.14Å
323	E	97.4	Very high	96.7	Very high	131 Å²	131	37.3 Å²	37.3	61%	0.612	20%	0.199	S	C	*	.			trans	-123.4	150.9	178.7	-64.5	178.2	-160.9	0	0	109.6	M326	E323-M326 HydrophobicContact CB-SD 4.35Å; E323-M326 PolarHBondContact N-SD 3.12Å; E323-M326 WeakPolarHBondContact O-CB 3.42Å; E323-M326 WeakPolarHBondContact O-CG 3.3Å; E323-M326 PolarHBondContact O-N 3.38Å
324	D	98	Very high	96.6	Very high	108 Å²	108	36.5 Å²	36.5	58%	0.578	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.8	136.4	-179.6	-172.4	44	0	0	0	112	M326 I346 T347	D324-M326 VanDerWaalsContact C-N 3.27Å; D324-M326 PolarHBondContact O-N 2.86Å; D324-I346 HydrophobicContact CB-CB 3.93Å; D324-I346 HydrophobicContact CB-CG2 3.97Å; D324-I346 WeakPolarHBondContact OD1-CA 3.35Å; D324-T347 PolarHBondContact OD1-N 2.8Å
325	G	97.3	Very high	96.4	Very high	39 Å²	39	36.5 Å²	36.5	40%	0.402	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	77.1	1.7	-179.6	0	0	0	0	0	115.4	T347	G325-T347 WeakPolarHBondContact CA-O 3.42Å; G325-T347 PolarHBondContact N-O 2.86Å
326	M	97.8	Very high	96.2	Very high	16 Å²	16	37 Å²	37	8%	0.079	20%	0.201	C	C	.	.			trans	-75.9	153.5	-174	81.5	-175.9	-56.5	0	0	113.5	F322 E323 D324 A328 V348 H349 N404 L405	F322-M326 WeakPolarHBondContact CA-SD 3.32Å; F322-M326 HydrophobicContact CB-SD 4.09Å; F322-M326 HydrophobicContact CD1-SD 3.71Å; F322-M326 HydrophobicContact CG-SD 4.4Å; E323-M326 HydrophobicContact CB-SD 4.35Å; E323-M326 PolarHBondContact N-SD 3.12Å; E323-M326 WeakPolarHBondContact O-CB 3.42Å; E323-M326 WeakPolarHBondContact O-CG 3.3Å; E323-M326 PolarHBondContact O-N 3.38Å; D324-M326 VanDerWaalsContact C-N 3.27Å; D324-M326 PolarHBondContact O-N 2.86Å; M326-A328 HydrophobicContact CE-CB 4.45Å; M326-V348 HydrophobicContact CG-CB 4.31Å; M326-V348 HydrophobicContact CG-CG1 3.69Å; M326-V348 HydrophobicContact CG-CG2 4.1Å; M326-V348 HydrophobicContact SD-CG1 4.21Å; M326-V348 HydrophobicContact SD-CG2 4.3Å; M326-H349 PolarHBondContact O-N 3.44Å; M326-N404 HydrophobicContact CB-CB 4.4Å; M326-N404 HydrophobicContact CE-CB 4.47Å; M326-L405 HydrophobicContact CE-CB 3.25Å; M326-L405 HydrophobicContact CE-CD2 3.6Å; M326-L405 HydrophobicContact CE-CG 4.04Å
327	Y	98.5	Very high	95.9	Very high	89 Å²	89	36.5 Å²	36.5	35%	0.349	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	122.7	167.3	-66.8	-91.8	0	0	0	110	H349 L357 N404 L405	Y327-H349 WeakPolarHBondContact CA-O 3.44Å; Y327-H349 HydrophobicContact CD1-CB 3.56Å; Y327-H349 HydrophobicContact CE1-CB 3.59Å; Y327-H349 AromaticContact CE1-CG 3.9Å; Y327-H349 HydrophobicContact CG-CB 4.24Å; Y327-H349 AromaticContact CZ-CD2 3.99Å; Y327-L357 HydrophobicContact CD1-CD1 3.67Å; Y327-L357 HydrophobicContact CD1-CD2 4.43Å; Y327-L357 HydrophobicContact CE1-CD1 3.9Å; Y327-L357 HydrophobicContact CE1-CD2 3.97Å; Y327-L357 HydrophobicContact CE1-CG 4.41Å; Y327-N404 PolarHBondContact N-OD1 3.29Å; Y327-N404 WeakPolarHBondContact O-CB 3.26Å; Y327-N404 PolarHBondContact O-N 3.48Å; Y327-L405 PolarHBondContact O-N 3.14Å
328	A	98.4	Very high	95.7	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	140.8	-177.8	0	0	0	0	0	112.5	F322 M326 L330 V348 H349 L350 Q351 L405	F322-A328 HydrophobicContact CE1-CB 4.21Å; M326-A328 HydrophobicContact CE-CB 4.45Å; A328-L330 HydrophobicContact CB-CD2 4.43Å; A328-V348 HydrophobicContact CB-CG1 4.09Å; A328-H349 PolarHBondContact N-O 3.01Å; A328-L350 HydrophobicContact CB-CD2 4.13Å; A328-L350 WeakPolarHBondContact O-CA 3.37Å; A328-Q351 PolarHBondContact O-N 2.69Å; A328-L405 CarbonylContact C-O 3.52Å; A328-L405 VanDerWaalsContact CA-O 3.23Å; A328-L405 WeakPolarHBondContact CA-O 3.48Å; A328-L405 HydrophobicContact CB-CB 4.2Å; A328-L405 HydrophobicContact CB-CD2 4.48Å
329	N	98.5	Very high	95.5	Very high	3 Å²	3	37.3 Å²	37.3	2%	0.016	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	130.3	164.8	178.7	-73.4	0	0	0	109.2	Q351 I403 L405 T406 M407 L438	N329-Q351 PolarHBondContact ND2-O 2.77Å; N329-Q351 PolarHBondContact ND2-OE1 2.74Å; N329-I403 HydrophobicContact CB-CG2 4.15Å; N329-L405 PolarHBondContact N-O 2.96Å; N329-T406 WeakPolarHBondContact O-CA 3.29Å; N329-M407 PolarHBondContact O-N 3.41Å; N329-L438 HydrophobicContact CB-CD2 3.77Å; N329-L438 WeakPolarHBondContact OD1-CD1 3.2Å; N329-L438 VanDerWaalsContact OD1-CD2 3.32Å; N329-L438 WeakPolarHBondContact OD1-CD2 3.37Å
330	L	96.9	Very high	95.2	Very high	11 Å²	11	42.3 Å²	42.3	6%	0.058	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	122.6	-173.3	-58	-179.6	0	0	0	110.4	F322 A328 P335 M336 L350 M407	F322-L330 HydrophobicContact CE1-CD1 4.31Å; F322-L330 HydrophobicContact CE1-CD2 3.95Å; F322-L330 HydrophobicContact CZ-CD1 3.89Å; F322-L330 HydrophobicContact CZ-CD2 3.89Å; A328-L330 HydrophobicContact CB-CD2 4.43Å; L330-P335 HydrophobicContact CB-CB 4.2Å; L330-P335 HydrophobicContact CD2-CB 4.42Å; L330-M336 HydrophobicContact CB-CG 4.25Å; L330-M336 HydrophobicContact CB-SD 3.57Å; L330-M336 VanDerWaalsContact CB-SD 3.57Å; L330-M336 HydrophobicContact CD1-SD 4.35Å; L330-L350 HydrophobicContact CD1-CD1 4.27Å; L330-L350 HydrophobicContact CD1-CD2 3.56Å; L330-L350 HydrophobicContact CG-CD2 4.06Å; L330-M407 HydrophobicContact CD2-CB 3.81Å
331	G	93.2	Very high	95	Very high	12 Å²	12	43.4 Å²	43.4	12%	0.124	24%	0.239	C	C	.	.			trans	-67.2	155.5	172.1	0	0	0	0	0	112.8	P335 M336 M407	G331-P335 VanDerWaalsContact O-CB 3.31Å; G331-P335 WeakPolarHBondContact O-CB 3.44Å; G331-P335 WeakPolarHBondContact O-CD 3.29Å; G331-M336 WeakPolarHBondContact O-CG 3.31Å; G331-M336 PolarHBondContact O-N 3.2Å; G331-M336 VanDerWaalsContact O-N 3.09Å; G331-M407 PolarHBondContact N-O 2.79Å
332	I	89.2	Confident	94.7	Very high	111 Å²	111	45 Å²	45	57%	0.569	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54	150.2	176.6	63.2	170	0	0	0	112.6
333	G	89.8	Confident	94.3	Very high	43 Å²	43	49.1 Å²	49.1	44%	0.443	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	84.5	-126.5	178.1	0	0	0	0	0	112.8	M336 L337	G333-M336 PolarHBondContact O-N 3.4Å; G333-L337 WeakPolarHBondContact O-CG 3.3Å; G333-L337 PolarHBondContact O-N 3.47Å
334	I	93.7	Very high	93.8	Very high	27 Å²	27	49.6 Å²	49.6	14%	0.138	28%	0.28	C	S	.	.	H	α-helix	trans	-55.2	-47.1	-173.1	-68.4	172.1	0	0	0	113	R311 I314 I315 L337 A338 T449	R311-I334 HydrophobicContact CG-CD1 4.32Å; I314-I334 HydrophobicContact CB-CD1 4.43Å; I314-I334 HydrophobicContact CB-CG2 4.27Å; I314-I334 HydrophobicContact CD1-CD1 4.09Å; I314-I334 HydrophobicContact CG2-CD1 4.32Å; I314-I334 HydrophobicContact CG2-CG2 3.7Å; I315-I334 HydrophobicContact CG1-CB 4.28Å; I315-I334 HydrophobicContact CG1-CG1 4.28Å; I315-I334 HydrophobicContact CG1-CG2 3.77Å; I334-L337 PolarHBondContact O-N 2.76Å; I334-A338 PolarHBondContact O-N 2.69Å; I334-T449 HydrophobicContact CG2-CG2 4.12Å; I334-T449 WeakPolarHBondContact CG2-OG1 3.3Å
335	P	95.1	Very high	93.6	Very high	1 Å²	1	50.6 Å²	50.6	1%	0.006	29%	0.285	C	S	.	.	H	α-helix	trans	-60.3	-48.7	179.8	-21	30.4	0	0	0	112.8	L330 G331 L337 A338 M407 T449	L330-P335 HydrophobicContact CB-CB 4.2Å; L330-P335 HydrophobicContact CD2-CB 4.42Å; G331-P335 VanDerWaalsContact O-CB 3.31Å; G331-P335 WeakPolarHBondContact O-CB 3.44Å; G331-P335 WeakPolarHBondContact O-CD 3.29Å; P335-L337 VanDerWaalsContact C-N 3.3Å; P335-L337 PolarHBondContact O-N 2.89Å; P335-A338 WeakPolarHBondContact O-CB 3.06Å; P335-A338 PolarHBondContact O-N 3.03Å; P335-A338 VanDerWaalsContact O-N 3.14Å; P335-M407 HydrophobicContact CB-CB 3.93Å; P335-M407 HydrophobicContact CB-CG 3.72Å; P335-M407 VanDerWaalsContact CB-O 3.22Å; P335-M407 WeakPolarHBondContact CB-O 3.2Å; P335-M407 HydrophobicContact CB-SD 3.8Å; P335-M407 HydrophobicContact CG-CG 4.04Å; P335-M407 WeakPolarHBondContact CG-O 3.48Å; P335-M407 HydrophobicContact CG-SD 4.43Å; P335-T449 WeakPolarHBondContact CD-OG1 3.46Å; P335-T449 WeakPolarHBondContact CG-OG1 3.41Å
336	M	91.8	Very high	93.5	Very high	26 Å²	26	50.5 Å²	50.5	13%	0.128	28%	0.275	C	S	.	.	H	α-helix	trans	-57.8	-41.7	174.8	-82.1	-55	-51.6	0	0	112.2	L330 G331 G333 A338 S339 L359	L330-M336 HydrophobicContact CB-CG 4.25Å; L330-M336 HydrophobicContact CB-SD 3.57Å; L330-M336 VanDerWaalsContact CB-SD 3.57Å; L330-M336 HydrophobicContact CD1-SD 4.35Å; G331-M336 WeakPolarHBondContact O-CG 3.31Å; G331-M336 PolarHBondContact O-N 3.2Å; G331-M336 VanDerWaalsContact O-N 3.09Å; G333-M336 PolarHBondContact O-N 3.4Å; M336-A338 VanDerWaalsContact C-N 3.28Å; M336-A338 PolarHBondContact O-N 2.76Å; M336-S339 WeakPolarHBondContact O-CB 3.45Å; M336-S339 PolarHBondContact O-N 3.39Å; M336-S339 PolarHBondContact O-OG 2.68Å; M336-L359 HydrophobicContact CE-CD2 3.69Å; M336-L359 HydrophobicContact SD-CD2 4.34Å
337	L	91.4	Very high	93.4	Very high	69 Å²	69	53.5 Å²	53.5	36%	0.361	30%	0.295	S	S	.	.	H	α-helix	trans	-67.3	-27	179.1	-69.4	172.7	0	0	0	113.2	I315 G333 I334 P335 S339 N340	I315-L337 HydrophobicContact CD1-CB 3.82Å; I315-L337 HydrophobicContact CD1-CD1 3.73Å; I315-L337 HydrophobicContact CD1-CG 4.45Å; I315-L337 HydrophobicContact CG1-CB 4.1Å; I315-L337 HydrophobicContact CG2-CB 4.16Å; G333-L337 WeakPolarHBondContact O-CG 3.3Å; G333-L337 PolarHBondContact O-N 3.47Å; I334-L337 PolarHBondContact O-N 2.76Å; P335-L337 VanDerWaalsContact C-N 3.3Å; P335-L337 PolarHBondContact O-N 2.89Å; L337-S339 PolarHBondContact O-N 2.91Å; L337-N340 WeakPolarHBondContact O-CB 3.27Å; L337-N340 PolarHBondContact O-N 3.47Å; L337-N340 PolarHBondContact O-ND2 3.06Å
338	A	94.4	Very high	93.3	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-62.4	-30	175.5	0	0	0	0	0	111.9	I315 A318 A319 F322 I334 P335 M336 N340 F341 M407	I315-A338 HydrophobicContact CG2-CB 4.4Å; A318-A338 HydrophobicContact CB-CB 3.99Å; A319-A338 HydrophobicContact CB-CB 4.45Å; F322-A338 HydrophobicContact CE2-CB 4.07Å; F322-A338 HydrophobicContact CZ-CB 4.48Å; I334-A338 PolarHBondContact O-N 2.69Å; P335-A338 WeakPolarHBondContact O-CB 3.06Å; P335-A338 PolarHBondContact O-N 3.03Å; P335-A338 VanDerWaalsContact O-N 3.14Å; M336-A338 VanDerWaalsContact C-N 3.28Å; M336-A338 PolarHBondContact O-N 2.76Å; A338-N340 PolarHBondContact O-N 3.07Å; A338-F341 PolarHBondContact O-N 3.47Å; A338-M407 HydrophobicContact CB-SD 4.49Å
339	S	93.5	Very high	93.3	Very high	24 Å²	24	53 Å²	53	17%	0.168	30%	0.296	C	S	.	.	G	3₁₀ helix	trans	-61	-25.2	177.1	71.1	0	0	0	0	113.8	M336 L337 F341 I342	M336-S339 WeakPolarHBondContact O-CB 3.45Å; M336-S339 PolarHBondContact O-N 3.39Å; M336-S339 PolarHBondContact O-OG 2.68Å; L337-S339 PolarHBondContact O-N 2.91Å; S339-F341 PolarHBondContact O-N 3.33Å; S339-F341 VanDerWaalsContact O-N 3.16Å; S339-I342 WeakPolarHBondContact O-CB 3.39Å; S339-I342 WeakPolarHBondContact O-CD1 3.4Å; S339-I342 WeakPolarHBondContact O-CG1 3.44Å; S339-I342 PolarHBondContact O-N 3.3Å
340	N	90.6	Very high	93.3	Very high	110 Å²	110	53.7 Å²	53.7	59%	0.588	30%	0.3	S	S	*	.	G	3₁₀ helix	trans	-67.4	-14.1	176.2	-64.6	-45.7	0	0	0	113.3	L337 A338	L337-N340 WeakPolarHBondContact O-CB 3.27Å; L337-N340 PolarHBondContact O-N 3.47Å; L337-N340 PolarHBondContact O-ND2 3.06Å; A338-N340 PolarHBondContact O-N 3.07Å
341	F	92.6	Very high	93.4	Very high	70 Å²	70	53.4 Å²	53.4	31%	0.307	30%	0.298	S	S	.	.	G	3₁₀ helix	trans	-109.3	11.7	179.6	-62.2	-90.2	0	0	0	112.1	I315 R316 A319 A338 S339 K343 I527	I315-F341 HydrophobicContact CG2-CD2 3.64Å; I315-F341 HydrophobicContact CG2-CE2 3.48Å; I315-F341 VanDerWaalsContact CG2-CE2 3.48Å; R316-F341 HydrophobicContact CG-CD1 4.41Å; R316-F341 HydrophobicContact CG-CE1 4.19Å; R316-F341 HydrophobicContact CG-CZ 4.33Å; A319-F341 HydrophobicContact CB-CB 3.62Å; A338-F341 PolarHBondContact O-N 3.47Å; S339-F341 PolarHBondContact O-N 3.33Å; S339-F341 VanDerWaalsContact O-N 3.16Å; F341-K343 PolarHBondContact O-N 3.36Å; F341-I527 HydrophobicContact CB-CG2 4.04Å; F341-I527 HydrophobicContact CD1-CG2 4.19Å; F341-I527 HydrophobicContact CG-CG2 4.39Å; F341-I527 WeakPolarHBondContact O-CD1 3.45Å
342	I	91.9	Very high	93.6	Very high	41 Å²	41	53.1 Å²	53.1	21%	0.21	29%	0.294	C	S	.	.			trans	-57	128.7	168.3	-69.1	163.4	0	0	0	107.9	F322 S339 I346 V348	F322-I342 HydrophobicContact CB-CG1 4.41Å; F322-I342 HydrophobicContact CD2-CD1 4.2Å; F322-I342 HydrophobicContact CD2-CG1 3.45Å; F322-I342 VanDerWaalsContact CD2-CG1 3.45Å; F322-I342 HydrophobicContact CE2-CD1 4.21Å; F322-I342 HydrophobicContact CE2-CG1 3.78Å; F322-I342 HydrophobicContact CG-CD1 4.45Å; F322-I342 HydrophobicContact CG-CG1 3.91Å; F322-I342 HydrophobicContact CZ-CD1 4.44Å; F322-I342 HydrophobicContact CZ-CG1 4.47Å; S339-I342 WeakPolarHBondContact O-CB 3.39Å; S339-I342 WeakPolarHBondContact O-CD1 3.4Å; S339-I342 WeakPolarHBondContact O-CG1 3.44Å; S339-I342 PolarHBondContact O-N 3.3Å; I342-I346 HydrophobicContact CG2-CD1 4.09Å; I342-I346 HydrophobicContact CG2-CG1 3.7Å; I342-V348 HydrophobicContact CD1-CB 3.92Å; I342-V348 HydrophobicContact CD1-CG1 4.34Å; I342-V348 HydrophobicContact CD1-CG2 4.03Å; I342-V348 HydrophobicContact CG1-CG2 4.26Å; I342-V348 HydrophobicContact CG2-CG2 3.96Å
343	K	89.3	Confident	94	Very high	100 Å²	100	48.9 Å²	48.9	44%	0.435	27%	0.272	S	S	.	.			trans	-65.2	141.8	-177.2	-60.6	178.5	179.3	172.7	0	109.9	F341 D345 I346 I527	F341-K343 PolarHBondContact O-N 3.36Å; K343-D345 WeakPolarHBondContact CB-OD1 3.33Å; K343-D345 PolarHBondContact O-N 2.92Å; K343-I346 HydrophobicContact CB-CG1 4.28Å; K343-I346 WeakPolarHBondContact O-CG1 3.47Å; K343-I346 PolarHBondContact O-N 2.86Å; K343-I346 VanDerWaalsContact O-N 3.15Å; K343-I527 HydrophobicContact CD-CD1 4.35Å; K343-I527 HydrophobicContact CG-CD1 3.59Å
344	P	88.6	Confident	94.4	Very high	142 Å²	142	46.8 Å²	46.8	92%	0.922	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-17.8	-178.2	-24.3	34.2	0	0	0	115.1
345	D	92.8	Very high	94.6	Very high	128 Å²	128	45.5 Å²	45.5	68%	0.684	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.2	-1.4	-178.8	63.8	-30.2	0	0	0	113.9	K343	K343-D345 WeakPolarHBondContact CB-OD1 3.33Å; K343-D345 PolarHBondContact O-N 2.92Å
346	I	95.1	Very high	94.8	Very high	37 Å²	37	45.5 Å²	45.5	19%	0.19	24%	0.244	C	C	.	.	S	Bend	trans	-120.6	150.3	174.5	71.4	172.2	0	0	0	111.3	F322 D324 I342 K343 V348	F322-I346 HydrophobicContact CB-CD1 4.07Å; D324-I346 HydrophobicContact CB-CB 3.93Å; D324-I346 HydrophobicContact CB-CG2 3.97Å; D324-I346 WeakPolarHBondContact OD1-CA 3.35Å; I342-I346 HydrophobicContact CG2-CD1 4.09Å; I342-I346 HydrophobicContact CG2-CG1 3.7Å; K343-I346 HydrophobicContact CB-CG1 4.28Å; K343-I346 WeakPolarHBondContact O-CG1 3.47Å; K343-I346 PolarHBondContact O-N 2.86Å; K343-I346 VanDerWaalsContact O-N 3.15Å; I346-V348 HydrophobicContact CD1-CG2 4.34Å
347	T	96	Very high	95.1	Very high	80 Å²	80	46 Å²	46	49%	0.491	25%	0.247	S	C	.	.			trans	-110.7	125.9	176.5	-58.8	0	0	0	0	110.1	D324 G325	D324-T347 PolarHBondContact OD1-N 2.8Å; G325-T347 WeakPolarHBondContact CA-O 3.42Å; G325-T347 PolarHBondContact N-O 2.86Å
348	V	97.5	Very high	95.4	Very high	13 Å²	13	43.1 Å²	43.1	8%	0.079	23%	0.234	C	C	.	.			trans	-121.8	127.2	175	179.5	0	0	0	0	109	F322 M326 A328 I342 I346 L350	F322-V348 HydrophobicContact CB-CG2 3.93Å; F322-V348 HydrophobicContact CD1-CG1 4.01Å; F322-V348 HydrophobicContact CD1-CG2 4.17Å; F322-V348 HydrophobicContact CE1-CG1 4.34Å; F322-V348 HydrophobicContact CG-CG2 4.21Å; M326-V348 HydrophobicContact CG-CB 4.31Å; M326-V348 HydrophobicContact CG-CG1 3.69Å; M326-V348 HydrophobicContact CG-CG2 4.1Å; M326-V348 HydrophobicContact SD-CG1 4.21Å; M326-V348 HydrophobicContact SD-CG2 4.3Å; A328-V348 HydrophobicContact CB-CG1 4.09Å; I342-V348 HydrophobicContact CD1-CB 3.92Å; I342-V348 HydrophobicContact CD1-CG1 4.34Å; I342-V348 HydrophobicContact CD1-CG2 4.03Å; I342-V348 HydrophobicContact CG1-CG2 4.26Å; I342-V348 HydrophobicContact CG2-CG2 3.96Å; I346-V348 HydrophobicContact CD1-CG2 4.34Å; V348-L350 HydrophobicContact CG1-CD2 3.76Å; V348-L350 HydrophobicContact CG1-CG 4.46Å; V348-L350 PolarHBondContact O-N 3.47Å
349	H	98	Very high	95.5	Very high	66 Å²	66	43.5 Å²	43.5	31%	0.306	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	102.5	177.8	-60.3	-76.3	0	0	0	110.2	M326 Y327 A328 L357	M326-H349 PolarHBondContact O-N 3.44Å; Y327-H349 WeakPolarHBondContact CA-O 3.44Å; Y327-H349 HydrophobicContact CD1-CB 3.56Å; Y327-H349 HydrophobicContact CE1-CB 3.59Å; Y327-H349 AromaticContact CE1-CG 3.9Å; Y327-H349 HydrophobicContact CG-CB 4.24Å; Y327-H349 AromaticContact CZ-CD2 3.99Å; A328-H349 PolarHBondContact N-O 3.01Å; H349-L357 HydrophobicContact CB-CD1 4.21Å
350	L	98.3	Very high	95.6	Very high	16 Å²	16	43 Å²	43	8%	0.084	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	121.3	-179	-63.3	-176.1	0	0	0	111.3	A328 L330 V348 G358 L359	A328-L350 HydrophobicContact CB-CD2 4.13Å; A328-L350 WeakPolarHBondContact O-CA 3.37Å; L330-L350 HydrophobicContact CD1-CD1 4.27Å; L330-L350 HydrophobicContact CD1-CD2 3.56Å; L330-L350 HydrophobicContact CG-CD2 4.06Å; V348-L350 HydrophobicContact CG1-CD2 3.76Å; V348-L350 HydrophobicContact CG1-CG 4.46Å; V348-L350 PolarHBondContact O-N 3.47Å; L350-G358 PolarHBondContact O-N 2.9Å; L350-L359 HydrophobicContact CB-CB 3.76Å; L350-L359 PolarHBondContact O-N 3.09Å
351	Q	98.6	Very high	95.7	Very high	6 Å²	6	41 Å²	41	3%	0.028	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	139	174.6	-169.2	-86.9	0.1	0	0	110	A328 N329 L356 L357 F389 S394 I403	A328-Q351 PolarHBondContact O-N 2.69Å; N329-Q351 PolarHBondContact ND2-O 2.77Å; N329-Q351 PolarHBondContact ND2-OE1 2.74Å; Q351-L356 CarbonylContact C-O 3.53Å; Q351-L356 WeakPolarHBondContact CA-O 3.39Å; Q351-L357 HydrophobicContact CB-CD1 4.08Å; Q351-L357 HydrophobicContact CG-CD1 4.48Å; Q351-F389 HydrophobicContact CG-CZ 4.34Å; Q351-S394 PolarHBondContact NE2-OG 3.47Å; Q351-S394 VanDerWaalsContact NE2-OG 3.09Å; Q351-I403 HydrophobicContact CB-CD1 3.93Å; Q351-I403 HydrophobicContact CG-CD1 3.96Å
352	S	98	Very high	95.8	Very high	5 Å²	5	40.7 Å²	40.7	4%	0.035	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	126.6	173	-169.1	0	0	0	0	109.6	N354 G355 L356 N374 A375	S352-N354 WeakPolarHBondContact CB-OD1 3.44Å; S352-N354 PolarHBondContact O-N 3.3Å; S352-N354 PolarHBondContact OG-OD1 2.99Å; S352-G355 PolarHBondContact O-N 3.2Å; S352-L356 PolarHBondContact N-O 2.94Å; S352-L356 PolarHBondContact O-N 2.87Å; S352-N374 WeakPolarHBondContact OG-CA 3.49Å; S352-A375 PolarHBondContact OG-N 2.83Å
353	E	97.1	Very high	96	Very high	22 Å²	22	38.7 Å²	38.7	10%	0.103	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-17.2	-168.6	71.7	-159.5	-137.2	0	0	114.8	Q147 G355 A375 S394 F395 I398	Q147-E353 PolarHBondContact OE1-OE1 3.07Å; E353-G355 VanDerWaalsContact C-N 3.28Å; E353-G355 PolarHBondContact O-N 3.29Å; E353-A375 HydrophobicContact CG-CB 3.76Å; E353-S394 VanDerWaalsContact C-OG 3.25Å; E353-S394 WeakPolarHBondContact CA-OG 3.28Å; E353-S394 WeakPolarHBondContact O-CB 3.43Å; E353-S394 PolarHBondContact O-OG 2.57Å; E353-F395 HydrophobicContact CB-CE1 4.48Å; E353-F395 HydrophobicContact CB-CE2 4.28Å; E353-F395 HydrophobicContact CB-CZ 3.82Å; E353-F395 HydrophobicContact CG-CZ 4.29Å; E353-I398 HydrophobicContact CB-CD1 4.16Å
354	N	97.8	Very high	96.4	Very high	0 Å²	0	37 Å²	37	0%	0	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.9	1.3	175.9	65.9	-51.5	0	0	0	114.4	F73 T235 S352 I373	F73-N354 HydrophobicContact CB-CB 4.4Å; F73-N354 HydrophobicContact CD1-CB 3.66Å; F73-N354 HydrophobicContact CD2-CB 3.76Å; F73-N354 HydrophobicContact CE1-CB 3.75Å; F73-N354 HydrophobicContact CE2-CB 3.88Å; F73-N354 HydrophobicContact CG-CB 3.67Å; F73-N354 HydrophobicContact CZ-CB 3.86Å; T235-N354 WeakPolarHBondContact CB-ND2 3.08Å; S352-N354 WeakPolarHBondContact CB-OD1 3.44Å; S352-N354 PolarHBondContact O-N 3.3Å; S352-N354 PolarHBondContact OG-OD1 2.99Å; N354-I373 PolarHBondContact ND2-O 2.79Å
355	G	98.4	Very high	96.7	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	118.7	39.4	169.8	0	0	0	0	0	115.7	S352 E353 Y388 F389	S352-G355 PolarHBondContact O-N 3.2Å; E353-G355 VanDerWaalsContact C-N 3.28Å; E353-G355 PolarHBondContact O-N 3.29Å; G355-Y388 WeakPolarHBondContact O-CA 3Å; G355-F389 VanDerWaalsContact CA-CE2 3.41Å; G355-F389 VanDerWaalsContact CA-O 3.24Å; G355-F389 WeakPolarHBondContact CA-O 3.4Å; G355-F389 PolarHBondContact O-N 3.29Å; G355-F389 VanDerWaalsContact O-N 3.09Å
356	L	98.6	Very high	96.8	Very high	0 Å²	0	37 Å²	37	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	136.2	-179.7	166.3	63.3	0	0	0	111.4	T235 Q351 S352 L359 L372 V380 V382 A386 A387 Y388 F389	T235-L356 HydrophobicContact CG2-CB 3.82Å; T235-L356 HydrophobicContact CG2-CD2 4.33Å; Q351-L356 CarbonylContact C-O 3.53Å; Q351-L356 WeakPolarHBondContact CA-O 3.39Å; S352-L356 PolarHBondContact N-O 2.94Å; S352-L356 PolarHBondContact O-N 2.87Å; L356-L359 HydrophobicContact CD2-CB 4.25Å; L356-L359 HydrophobicContact CD2-CD1 3.56Å; L356-L372 HydrophobicContact CD2-CD1 4.15Å; L356-V380 HydrophobicContact CD2-CG2 4.46Å; L356-V382 HydrophobicContact CD1-CB 4.46Å; L356-V382 HydrophobicContact CD1-CG1 3.45Å; L356-V382 VanDerWaalsContact CD1-CG1 3.45Å; L356-V382 HydrophobicContact CD2-CG1 3.9Å; L356-V382 HydrophobicContact CG-CG1 4.33Å; L356-A386 HydrophobicContact CD1-CB 4.29Å; L356-A387 WeakPolarHBondContact CA-O 3.32Å; L356-Y388 HydrophobicContact CB-CD1 4.35Å; L356-Y388 HydrophobicContact CB-CE1 4.5Å; L356-Y388 HydrophobicContact CD1-CD1 4.03Å; L356-Y388 HydrophobicContact CD1-CE1 3.71Å; L356-F389 VanDerWaalsContact N-CZ 3.3Å; L356-F389 WeakPolarHBondContact O-CZ 3.44Å
357	L	98.6	Very high	96.9	Very high	38 Å²	38	40.1 Å²	40.1	20%	0.199	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	132.4	167.3	175.2	65	0	0	0	108.9	Y327 H349 Q351 A386 A387 F389	Y327-L357 HydrophobicContact CD1-CD1 3.67Å; Y327-L357 HydrophobicContact CD1-CD2 4.43Å; Y327-L357 HydrophobicContact CE1-CD1 3.9Å; Y327-L357 HydrophobicContact CE1-CD2 3.97Å; Y327-L357 HydrophobicContact CE1-CG 4.41Å; H349-L357 HydrophobicContact CB-CD1 4.21Å; Q351-L357 HydrophobicContact CB-CD1 4.08Å; Q351-L357 HydrophobicContact CG-CD1 4.48Å; L357-A386 CarbonylContact O-C 3.56Å; L357-A386 WeakPolarHBondContact O-CA 3.36Å; L357-A386 WeakPolarHBondContact O-CB 3.5Å; L357-A387 PolarHBondContact N-O 3.45Å; L357-A387 PolarHBondContact O-N 3.48Å; L357-F389 HydrophobicContact CB-CE1 3.6Å; L357-F389 HydrophobicContact CB-CZ 4.08Å
358	G	97.7	Very high	97	Very high	8 Å²	8	38 Å²	38	8%	0.082	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	91.4	41.2	-172.6	0	0	0	0	0	112.7	L350 G360 V382 L383	L350-G358 PolarHBondContact O-N 2.9Å; G358-G360 PolarHBondContact O-N 3.5Å; G358-V382 WeakPolarHBondContact O-CA 3.29Å; G358-L383 PolarHBondContact O-N 2.75Å
359	L	96.9	Very high	97.1	Very high	8 Å²	8	38.5 Å²	38.5	4%	0.042	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.2	129.6	175	-178.4	73	0	0	0	110.9	M336 L350 L356 N374 V380	M336-L359 HydrophobicContact CE-CD2 3.69Å; M336-L359 HydrophobicContact SD-CD2 4.34Å; L350-L359 HydrophobicContact CB-CB 3.76Å; L350-L359 PolarHBondContact O-N 3.09Å; L356-L359 HydrophobicContact CD2-CB 4.25Å; L356-L359 HydrophobicContact CD2-CD1 3.56Å; L359-N374 HydrophobicContact CD1-CB 4.3Å; L359-N374 HydrophobicContact CD2-CB 4.47Å; L359-V380 HydrophobicContact CD1-CB 3.65Å; L359-V380 HydrophobicContact CD1-CG1 3.92Å; L359-V380 HydrophobicContact CD1-CG2 3.44Å; L359-V380 VanDerWaalsContact CD1-CG2 3.44Å
360	G	94.9	Very high	97.1	Very high	12 Å²	12	36 Å²	36	12%	0.124	20%	0.195	C	C	.	.			trans	-99.4	-175.7	175.4	0	0	0	0	0	113.1	G358 T381	G358-G360 PolarHBondContact O-N 3.5Å; G360-T381 WeakPolarHBondContact CA-O 3.33Å; G360-T381 PolarHBondContact N-O 2.81Å
361	P	93.6	Very high	97.1	Very high	68 Å²	68	35.6 Å²	35.6	44%	0.442	19%	0.193	S	C	.	.	P	Polyproline II helix	trans	-65	173.1	176.2	29.6	-36.7	0	0	0	112.3	T381	P361-T381 VanDerWaalsContact CD-OG1 3.28Å; P361-T381 WeakPolarHBondContact CD-OG1 3.18Å; P361-T381 WeakPolarHBondContact O-CB 2.97Å; P361-T381 PolarHBondContact O-N 2.85Å; P361-T381 PolarHBondContact O-OG1 2.95Å
362	Y	94.8	Very high	97.1	Very high	64 Å²	64	35.7 Å²	35.7	25%	0.251	19%	0.193	S	C	.	.	P	Polyproline II helix	trans	-57.6	144.6	167.8	-60.8	-46.4	0	0	0	111.4	T292 E378 T379 V380	T292-Y362 HydrophobicContact CG2-CD1 3.66Å; T292-Y362 HydrophobicContact CG2-CD2 3.77Å; T292-Y362 HydrophobicContact CG2-CE1 3.7Å; T292-Y362 HydrophobicContact CG2-CE2 3.82Å; T292-Y362 HydrophobicContact CG2-CG 3.69Å; Y362-E378 HydrophobicContact CE1-CB 4.17Å; Y362-E378 WeakPolarHBondContact CE1-OE2 3.44Å; Y362-E378 PolarHBondContact OH-OE2 2.87Å; Y362-T379 WeakPolarHBondContact CD1-O 3.5Å; Y362-V380 HydrophobicContact CD1-CG1 4.17Å; Y362-V380 HydrophobicContact CE1-CG1 4.35Å
363	P	96.4	Very high	97.1	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	19%	0.194	C	C	.	.	P	Polyproline II helix	trans	-70.8	155.7	-176.5	30.6	-37.3	0	0	0	112.1	T292 V293 R294 E367 V368 T379 T381	T292-P363 WeakPolarHBondContact O-CD 3.17Å; T292-P363 WeakPolarHBondContact O-CG 3.2Å; V293-P363 CarbonylContact C-O 3.59Å; V293-P363 VanDerWaalsContact CA-O 3.29Å; V293-P363 WeakPolarHBondContact CA-O 3.5Å; R294-P363 PolarHBondContact N-O 3.49Å; P363-E367 HydrophobicContact CB-CB 3.59Å; P363-V368 HydrophobicContact CB-CG2 4.38Å; P363-V368 HydrophobicContact CG-CG2 3.93Å; P363-T379 WeakPolarHBondContact CD-O 3.44Å; P363-T381 VanDerWaalsContact CA-CG2 3.5Å; P363-T381 HydrophobicContact CB-CG2 3.72Å
364	T	96	Very high	97.1	Very high	65 Å²	65	35 Å²	35	40%	0.399	19%	0.19	S	C	.	.	P	Polyproline II helix	trans	-69.1	167	156.1	63.9	0	0	0	0	110.4	N366 E367 V368	T364-N366 PolarHBondContact O-N 3.3Å; T364-N366 VanDerWaalsContact O-N 3.14Å; T364-E367 VanDerWaalsContact CB-OE2 3.29Å; T364-E367 WeakPolarHBondContact CB-OE2 3.18Å; T364-E367 VanDerWaalsContact CG2-OE2 3.31Å; T364-E367 WeakPolarHBondContact CG2-OE2 3.25Å; T364-E367 PolarHBondContact N-OE2 3.21Å; T364-E367 PolarHBondContact O-N 3Å; T364-E367 VanDerWaalsContact OG1-CD 3.29Å; T364-E367 WeakPolarHBondContact OG1-CG 3.48Å; T364-E367 PolarHBondContact OG1-OE2 2.82Å; T364-V368 PolarHBondContact O-N 2.91Å
365	E	95.4	Very high	97	Very high	107 Å²	107	35.8 Å²	35.8	50%	0.5	20%	0.196	S	C	.	.	G	3₁₀ helix	trans	-50.6	-39.2	178.8	-74.4	-69.5	147.1	0	0	113.5	R291 V293 E367	R291-E365 IonicContact CZ-OE1 3.3Å; R291-E365 IonicContact CZ-OE2 3.57Å; R291-E365 IonicContact NH1-OE1 3.75Å; R291-E365 PolarHBondContact NH1-OE1 2.89Å; R291-E365 IonicContact NH1-OE2 3.47Å; R291-E365 PolarHBondContact NH1-OE2 3.38Å; R291-E365 IonicContact NH2-OE1 3.48Å; R291-E365 IonicContact NH2-OE2 3.2Å; R291-E365 PolarHBondContact NH2-OE2 3.46Å; V293-E365 WeakPolarHBondContact CG2-OE1 3.46Å; E365-E367 VanDerWaalsContact C-N 3.34Å
366	N	96.1	Very high	96.8	Very high	163 Å²	163	36.2 Å²	36.2	87%	0.872	20%	0.201	S	C	*	.	G	3₁₀ helix	trans	-81.4	-11.9	-178.7	-64	-22.1	0	0	0	113.9	T364	T364-N366 PolarHBondContact O-N 3.3Å; T364-N366 VanDerWaalsContact O-N 3.14Å
367	E	97.1	Very high	96.6	Very high	101 Å²	101	37.1 Å²	37.1	47%	0.472	21%	0.205	S	C	.	.	G	3₁₀ helix	trans	-99.1	-4.4	-179.5	-68.6	170.1	125.3	0	0	112.5	P363 T364 E365 D369 T381	P363-E367 HydrophobicContact CB-CB 3.59Å; T364-E367 VanDerWaalsContact CB-OE2 3.29Å; T364-E367 WeakPolarHBondContact CB-OE2 3.18Å; T364-E367 VanDerWaalsContact CG2-OE2 3.31Å; T364-E367 WeakPolarHBondContact CG2-OE2 3.25Å; T364-E367 PolarHBondContact N-OE2 3.21Å; T364-E367 PolarHBondContact O-N 3Å; T364-E367 VanDerWaalsContact OG1-CD 3.29Å; T364-E367 WeakPolarHBondContact OG1-CG 3.48Å; T364-E367 PolarHBondContact OG1-OE2 2.82Å; E365-E367 VanDerWaalsContact C-N 3.34Å; E367-D369 PolarHBondContact O-N 2.78Å; E367-T381 HydrophobicContact CB-CG2 4.42Å
368	V	98.3	Very high	96.5	Very high	36 Å²	36	37.6 Å²	37.6	22%	0.218	21%	0.206	C	C	.	.			trans	-59.9	124.9	179.3	173.4	0	0	0	0	110.3	I288 V293 P363 T364 T379	I288-V368 HydrophobicContact CD1-CG1 3.47Å; I288-V368 VanDerWaalsContact CD1-CG1 3.47Å; V293-V368 HydrophobicContact CG1-CG2 3.57Å; P363-V368 HydrophobicContact CB-CG2 4.38Å; P363-V368 HydrophobicContact CG-CG2 3.93Å; T364-V368 PolarHBondContact O-N 2.91Å; V368-T379 HydrophobicContact CG1-CG2 4.19Å
369	D	98.4	Very high	96.5	Very high	23 Å²	23	37.2 Å²	37.2	12%	0.123	20%	0.202	C	C	.	.			trans	-142.5	121.8	-178.2	-170.4	-23.1	0	0	0	110.3	R233 K234 E367 D371 L372	R233-D369 IonicContact CZ-OD1 3.87Å; R233-D369 IonicContact CZ-OD2 3.89Å; R233-D369 VanDerWaalsContact NH1-CG 3.28Å; R233-D369 IonicContact NH1-OD1 2.69Å; R233-D369 PolarHBondContact NH1-OD1 3.02Å; R233-D369 IonicContact NH1-OD2 2.69Å; R233-D369 PolarHBondContact NH1-OD2 3.36Å; R233-D369 IonicContact NH2-OD1 3.01Å; R233-D369 IonicContact NH2-OD2 2.76Å; R233-D369 PolarHBondContact NH2-OD2 3.48Å; K234-D369 WeakPolarHBondContact CE-OD2 3.47Å; K234-D369 IonicContact NZ-OD2 2.66Å; K234-D369 PolarHBondContact NZ-OD2 3.23Å; E367-D369 PolarHBondContact O-N 2.78Å; D369-D371 PolarHBondContact O-N 3.3Å; D369-D371 PolarHBondContact OD1-N 2.86Å; D369-L372 HydrophobicContact CB-CB 4.17Å; D369-L372 PolarHBondContact O-N 3.29Å
370	A	98.4	Very high	96.5	Very high	14 Å²	14	37 Å²	37	12%	0.116	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-21.1	-179.3	0	0	0	0	0	113.8	C76 K286 I288 L372	C76-A370 PolarHBondContact SG-O 3.05Å; K286-A370 HydrophobicContact CB-CB 3.81Å; K286-A370 WeakPolarHBondContact O-CB 3.35Å; I288-A370 HydrophobicContact CD1-CB 4.25Å; I288-A370 HydrophobicContact CG1-CB 3.67Å; A370-L372 PolarHBondContact O-N 3.39Å
371	D	98.7	Very high	96.7	Very high	8 Å²	8	37.3 Å²	37.3	4%	0.043	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.8	-0.7	175.5	-60.2	-30.1	0	0	0	112.1	R233 K234 T235 A236 K286 D369	R233-D371 HydrophobicContact CG-CB 4.48Å; R233-D371 IonicContact CZ-OD2 3.47Å; R233-D371 IonicContact NH1-OD2 2.67Å; R233-D371 PolarHBondContact NH1-OD2 2.55Å; K234-D371 HydrophobicContact CB-CB 4.3Å; K234-D371 VanDerWaalsContact CB-O 3.23Å; K234-D371 WeakPolarHBondContact CB-O 3.23Å; T235-D371 WeakPolarHBondContact CA-O 3.41Å; T235-D371 PolarHBondContact N-O 3.1Å; T235-D371 PolarHBondContact OG1-O 3.23Å; A236-D371 HydrophobicContact CB-CB 4.09Å; A236-D371 PolarHBondContact N-O 2.87Å; K286-D371 IonicContact NZ-OD1 2.74Å; K286-D371 IonicContact NZ-OD2 3.75Å; K286-D371 PolarHBondContact NZ-OD2 3.05Å; D369-D371 PolarHBondContact O-N 3.3Å; D369-D371 PolarHBondContact OD1-N 2.86Å
372	L	98.6	Very high	96.9	Very high	7 Å²	7	36.5 Å²	36.5	4%	0.037	19%	0.194	C	C	.	.			trans	-126.8	93	-177.3	-169.7	53.4	0	0	0	112.5	K234 T235 L356 D369 A370 V380 V382 Y388	K234-L372 HydrophobicContact CB-CD1 4.47Å; K234-L372 HydrophobicContact CD-CB 3.81Å; K234-L372 HydrophobicContact CD-CD1 4.4Å; K234-L372 HydrophobicContact CD-CD2 4.13Å; K234-L372 HydrophobicContact CD-CG 4.33Å; T235-L372 HydrophobicContact CG2-CD1 3.91Å; T235-L372 WeakPolarHBondContact OG1-CA 3.38Å; L356-L372 HydrophobicContact CD2-CD1 4.15Å; D369-L372 HydrophobicContact CB-CB 4.17Å; D369-L372 PolarHBondContact O-N 3.29Å; A370-L372 PolarHBondContact O-N 3.39Å; L372-V380 HydrophobicContact CD1-CG2 4.26Å; L372-V380 WeakPolarHBondContact CD2-O 3.22Å; L372-V380 HydrophobicContact CG-CG2 4.05Å; L372-V380 VanDerWaalsContact CG-O 3.28Å; L372-V380 WeakPolarHBondContact CG-O 3.35Å; L372-V380 PolarHBondContact O-N 3.48Å; L372-V382 HydrophobicContact CD1-CG1 3.97Å; L372-V382 HydrophobicContact CD2-CG1 4.16Å; L372-Y388 HydrophobicContact CD1-CE1 3.67Å; L372-Y388 WeakPolarHBondContact CD1-OH 3.31Å
373	I	98.2	Very high	97	Very high	9 Å²	9	37.6 Å²	37.6	5%	0.046	20%	0.204	C	C	.	.	B	Isolated β-bridge	trans	-129.4	160.3	179.1	59.9	161.3	0	0	0	112	F73 C76 T235 N354 K377 E378 T379	F73-I373 HydrophobicContact CD1-CD1 3.89Å; F73-I373 HydrophobicContact CE1-CD1 4.4Å; C76-I373 HydrophobicContact CB-CD1 3.39Å; C76-I373 HydrophobicContact CB-CG1 3.75Å; T235-I373 PolarHBondContact OG1-N 2.95Å; T235-I373 VanDerWaalsContact OG1-N 3.07Å; N354-I373 PolarHBondContact ND2-O 2.79Å; I373-K377 HydrophobicContact CD1-CB 4.38Å; I373-K377 HydrophobicContact CD1-CG 4.27Å; I373-E378 CarbonylContact C-O 3.55Å; I373-E378 WeakPolarHBondContact CA-O 3.32Å; I373-E378 WeakPolarHBondContact CB-O 3.22Å; I373-T379 HydrophobicContact CG2-CG2 4.36Å
374	N	96.8	Very high	97	Very high	4 Å²	4	44 Å²	44	2%	0.021	25%	0.245	C	C	.	.			trans	-88	179.2	168.2	68.3	14.8	0	0	0	112.2	S352 L359 G376 K377 E378 V380	S352-N374 WeakPolarHBondContact OG-CA 3.49Å; L359-N374 HydrophobicContact CD1-CB 4.3Å; L359-N374 HydrophobicContact CD2-CB 4.47Å; N374-G376 PolarHBondContact O-N 2.77Å; N374-G376 VanDerWaalsContact O-N 3.16Å; N374-G376 VanDerWaalsContact OD1-CA 3.22Å; N374-G376 WeakPolarHBondContact OD1-CA 3.43Å; N374-G376 PolarHBondContact OD1-N 3.12Å; N374-K377 PolarHBondContact O-N 3.47Å; N374-K377 PolarHBondContact OD1-N 3.11Å; N374-K377 VanDerWaalsContact OD1-N 3.16Å; N374-E378 PolarHBondContact N-O 3.31Å; N374-E378 PolarHBondContact ND2-OE2 2.83Å; N374-E378 PolarHBondContact OD1-N 3Å; N374-V380 HydrophobicContact CB-CG1 3.8Å; N374-V380 HydrophobicContact CB-CG2 4.47Å
375	A	94.7	Very high	97	Very high	16 Å²	16	45 Å²	45	13%	0.132	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-26.8	175.4	0	0	0	0	0	113.8	F73 S352 E353 K377	F73-A375 WeakPolarHBondContact CZ-O 3.33Å; S352-A375 PolarHBondContact OG-N 2.83Å; E353-A375 HydrophobicContact CG-CB 3.76Å; A375-K377 VanDerWaalsContact C-N 3.27Å; A375-K377 WeakPolarHBondContact O-CD 3.4Å; A375-K377 PolarHBondContact O-N 3.04Å; A375-K377 PolarHBondContact O-NZ 3.07Å
376	G	94	Very high	97.1	Very high	9 Å²	9	41.4 Å²	41.4	9%	0.093	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.1	0.5	175.1	0	0	0	0	0	115.2	N374 E378	N374-G376 PolarHBondContact O-N 2.77Å; N374-G376 VanDerWaalsContact O-N 3.16Å; N374-G376 VanDerWaalsContact OD1-CA 3.22Å; N374-G376 WeakPolarHBondContact OD1-CA 3.43Å; N374-G376 PolarHBondContact OD1-N 3.12Å; G376-E378 PolarHBondContact O-N 2.96Å
377	K	95.7	Very high	97.3	Very high	20 Å²	20	35.8 Å²	35.8	9%	0.087	23%	0.234	C	C	.	.	S	Bend	trans	66.3	20.6	-176.2	-59.8	87.6	-171.9	153.1	0	113.8	F73 E289 K290 I373 N374 A375	F73-K377 HydrophobicContact CD1-CG 4.49Å; F73-K377 HydrophobicContact CE1-CD 4.13Å; F73-K377 HydrophobicContact CE1-CG 4.16Å; E289-K377 HydrophobicContact CB-CB 4.22Å; E289-K377 HydrophobicContact CG-CB 4.46Å; K290-K377 WeakPolarHBondContact CB-O 3.46Å; K290-K377 PolarHBondContact N-O 2.91Å; I373-K377 HydrophobicContact CD1-CB 4.38Å; I373-K377 HydrophobicContact CD1-CG 4.27Å; N374-K377 PolarHBondContact O-N 3.47Å; N374-K377 PolarHBondContact OD1-N 3.11Å; N374-K377 VanDerWaalsContact OD1-N 3.16Å; A375-K377 VanDerWaalsContact C-N 3.27Å; A375-K377 WeakPolarHBondContact O-CD 3.4Å; A375-K377 PolarHBondContact O-N 3.04Å; A375-K377 PolarHBondContact O-NZ 3.07Å
378	E	96	Very high	97.3	Very high	48 Å²	48	33.7 Å²	33.7	22%	0.224	22%	0.222	C	C	.	.	B	Isolated β-bridge	trans	-90.1	143.3	174.4	-56.5	170.7	148.2	0	0	110.3	K290 Y362 I373 N374 G376	K290-E378 HydrophobicContact CB-CG 4.19Å; K290-E378 WeakPolarHBondContact O-CA 3.16Å; Y362-E378 HydrophobicContact CE1-CB 4.17Å; Y362-E378 WeakPolarHBondContact CE1-OE2 3.44Å; Y362-E378 PolarHBondContact OH-OE2 2.87Å; I373-E378 CarbonylContact C-O 3.55Å; I373-E378 WeakPolarHBondContact CA-O 3.32Å; I373-E378 WeakPolarHBondContact CB-O 3.22Å; N374-E378 PolarHBondContact N-O 3.31Å; N374-E378 PolarHBondContact ND2-OE2 2.83Å; N374-E378 PolarHBondContact OD1-N 3Å; G376-E378 PolarHBondContact O-N 2.96Å
379	T	97.7	Very high	97.4	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	22%	0.215	C	C	.	.	B	Isolated β-bridge	trans	-67.5	136.1	173.6	43.2	0	0	0	0	111.6	I288 K290 T292 Y362 P363 V368 I373	I288-T379 HydrophobicContact CD1-CG2 4.02Å; I288-T379 HydrophobicContact CG1-CG2 4.35Å; I288-T379 HydrophobicContact CG2-CG2 3.55Å; K290-T379 PolarHBondContact O-N 2.74Å; T292-T379 PolarHBondContact N-OG1 3.23Å; T292-T379 PolarHBondContact O-OG1 3.33Å; Y362-T379 WeakPolarHBondContact CD1-O 3.5Å; P363-T379 WeakPolarHBondContact CD-O 3.44Å; V368-T379 HydrophobicContact CG1-CG2 4.19Å; I373-T379 HydrophobicContact CG2-CG2 4.36Å
380	V	97.3	Very high	97.4	Very high	2 Å²	2	32 Å²	32	1%	0.012	21%	0.211	C	C	.	.			trans	-138.8	170.4	-173.8	-64.8	0	0	0	0	111.5	L356 L359 Y362 L372 N374	L356-V380 HydrophobicContact CD2-CG2 4.46Å; L359-V380 HydrophobicContact CD1-CB 3.65Å; L359-V380 HydrophobicContact CD1-CG1 3.92Å; L359-V380 HydrophobicContact CD1-CG2 3.44Å; L359-V380 VanDerWaalsContact CD1-CG2 3.44Å; Y362-V380 HydrophobicContact CD1-CG1 4.17Å; Y362-V380 HydrophobicContact CE1-CG1 4.35Å; L372-V380 HydrophobicContact CD1-CG2 4.26Å; L372-V380 WeakPolarHBondContact CD2-O 3.22Å; L372-V380 HydrophobicContact CG-CG2 4.05Å; L372-V380 VanDerWaalsContact CG-O 3.28Å; L372-V380 WeakPolarHBondContact CG-O 3.35Å; L372-V380 PolarHBondContact O-N 3.48Å; N374-V380 HydrophobicContact CB-CG1 3.8Å; N374-V380 HydrophobicContact CB-CG2 4.47Å
381	T	97.8	Very high	97.4	Very high	20 Å²	20	31.3 Å²	31.3	12%	0.123	21%	0.205	C	C	.	.			trans	-109.7	-177.3	167.9	62.4	0	0	0	0	110.3	G360 P361 P363 E367	G360-T381 WeakPolarHBondContact CA-O 3.33Å; G360-T381 PolarHBondContact N-O 2.81Å; P361-T381 VanDerWaalsContact CD-OG1 3.28Å; P361-T381 WeakPolarHBondContact CD-OG1 3.18Å; P361-T381 WeakPolarHBondContact O-CB 2.97Å; P361-T381 PolarHBondContact O-N 2.85Å; P361-T381 PolarHBondContact O-OG1 2.95Å; P363-T381 VanDerWaalsContact CA-CG2 3.5Å; P363-T381 HydrophobicContact CB-CG2 3.72Å; E367-T381 HydrophobicContact CB-CG2 4.42Å
382	V	98.2	Very high	97.4	Very high	51 Å²	51	31.7 Å²	31.7	31%	0.309	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	150.3	173	-62.2	0	0	0	0	110.1	L356 G358 L372 A386 Y388	L356-V382 HydrophobicContact CD1-CB 4.46Å; L356-V382 HydrophobicContact CD1-CG1 3.45Å; L356-V382 VanDerWaalsContact CD1-CG1 3.45Å; L356-V382 HydrophobicContact CD2-CG1 3.9Å; L356-V382 HydrophobicContact CG-CG1 4.33Å; G358-V382 WeakPolarHBondContact O-CA 3.29Å; L372-V382 HydrophobicContact CD1-CG1 3.97Å; L372-V382 HydrophobicContact CD2-CG1 4.16Å; V382-A386 HydrophobicContact CB-CB 3.64Å; V382-A386 HydrophobicContact CG1-CB 4.2Å; V382-A386 HydrophobicContact CG2-CB 4.16Å; V382-Y388 HydrophobicContact CG1-CE1 4.26Å; V382-Y388 VanDerWaalsContact CG1-OH 3.31Å; V382-Y388 WeakPolarHBondContact CG1-OH 3.45Å
383	L	96.3	Very high	97.4	Very high	86 Å²	86	36 Å²	36	45%	0.45	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	159.3	172.8	-61.5	179.1	0	0	0	110.9	G358 G385 A386	G358-L383 PolarHBondContact O-N 2.75Å; L383-G385 PolarHBondContact O-N 3.01Å; L383-A386 WeakPolarHBondContact O-CB 3.37Å; L383-A386 PolarHBondContact O-N 2.99Å; L383-A386 VanDerWaalsContact O-N 3.16Å
384	P	96.7	Very high	97.4	Very high	134 Å²	134	35.6 Å²	35.6	87%	0.87	23%	0.225	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-53.1	137	171.2	-26.4	35.6	0	0	0	112
385	G	96.6	Very high	97.5	Very high	86 Å²	86	35.5 Å²	35.5	89%	0.887	22%	0.224	S	C	*	.	E	Extended strand (participates in β ladder)	trans	86	4	-175.4	0	0	0	0	0	115	L383	L383-G385 PolarHBondContact O-N 3.01Å
386	A	98.3	Very high	97.7	Very high	33 Å²	33	36.7 Å²	36.7	27%	0.273	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.6	153.5	176.1	0	0	0	0	0	113.7	L356 L357 V382 L383	L356-A386 HydrophobicContact CD1-CB 4.29Å; L357-A386 CarbonylContact O-C 3.56Å; L357-A386 WeakPolarHBondContact O-CA 3.36Å; L357-A386 WeakPolarHBondContact O-CB 3.5Å; V382-A386 HydrophobicContact CB-CB 3.64Å; V382-A386 HydrophobicContact CG1-CB 4.2Å; V382-A386 HydrophobicContact CG2-CB 4.16Å; L383-A386 WeakPolarHBondContact O-CB 3.37Å; L383-A386 PolarHBondContact O-N 2.99Å; L383-A386 VanDerWaalsContact O-N 3.16Å
387	A	98.6	Very high	97.9	Very high	45 Å²	45	37.9 Å²	37.9	37%	0.372	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	145.8	179.3	0	0	0	0	0	111.8	L356 L357	L356-A387 WeakPolarHBondContact CA-O 3.32Å; L357-A387 PolarHBondContact N-O 3.45Å; L357-A387 PolarHBondContact O-N 3.48Å
388	Y	98.8	Very high	98.1	Very high	57 Å²	57	37 Å²	37	22%	0.224	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	141.1	173.9	-59.6	-73.1	0	0	0	111.3	K234 T235 R237 G355 L356 L372 V382	K234-Y388 HydrophobicContact CB-CD1 4.27Å; K234-Y388 HydrophobicContact CB-CE1 3.79Å; K234-Y388 HydrophobicContact CB-CE2 4.2Å; K234-Y388 HydrophobicContact CG-CE1 4.31Å; K234-Y388 HydrophobicContact CG-CE2 3.96Å; T235-Y388 HydrophobicContact CG2-CD1 3.98Å; T235-Y388 HydrophobicContact CG2-CE1 3.92Å; R237-Y388 PolarHBondContact NH1-O 3.07Å; R237-Y388 VanDerWaalsContact NH1-O 3.13Å; G355-Y388 WeakPolarHBondContact O-CA 3Å; L356-Y388 HydrophobicContact CB-CD1 4.35Å; L356-Y388 HydrophobicContact CB-CE1 4.5Å; L356-Y388 HydrophobicContact CD1-CD1 4.03Å; L356-Y388 HydrophobicContact CD1-CE1 3.71Å; L372-Y388 HydrophobicContact CD1-CE1 3.67Å; L372-Y388 WeakPolarHBondContact CD1-OH 3.31Å; V382-Y388 HydrophobicContact CG1-CE1 4.26Å; V382-Y388 VanDerWaalsContact CG1-OH 3.31Å; V382-Y388 WeakPolarHBondContact CG1-OH 3.45Å
389	F	98.8	Very high	98.2	Very high	19 Å²	19	36.4 Å²	36.4	8%	0.083	23%	0.23	C	C	.	.			trans	-148.7	169.8	-176.6	41.7	-92.9	0	0	0	110.9	Q351 G355 L356 L357 E393 M397	Q351-F389 HydrophobicContact CG-CZ 4.34Å; G355-F389 VanDerWaalsContact CA-CE2 3.41Å; G355-F389 VanDerWaalsContact CA-O 3.24Å; G355-F389 WeakPolarHBondContact CA-O 3.4Å; G355-F389 PolarHBondContact O-N 3.29Å; G355-F389 VanDerWaalsContact O-N 3.09Å; L356-F389 VanDerWaalsContact N-CZ 3.3Å; L356-F389 WeakPolarHBondContact O-CZ 3.44Å; L357-F389 HydrophobicContact CB-CE1 3.6Å; L357-F389 HydrophobicContact CB-CZ 4.08Å; F389-E393 HydrophobicContact CB-CB 4.09Å; F389-E393 HydrophobicContact CB-CG 3.97Å; F389-E393 HydrophobicContact CG-CG 4.46Å; F389-M397 HydrophobicContact CD1-CE 3.84Å; F389-M397 HydrophobicContact CD2-CE 3.41Å; F389-M397 VanDerWaalsContact CD2-CE 3.41Å; F389-M397 HydrophobicContact CE1-CE 3.63Å; F389-M397 HydrophobicContact CE2-CE 3.18Å; F389-M397 HydrophobicContact CG-CE 3.75Å; F389-M397 HydrophobicContact CZ-CE 3.3Å
390	S	98.8	Very high	98.2	Very high	3 Å²	3	38.9 Å²	38.9	2%	0.021	26%	0.256	C	S	.	.			trans	-82.5	167.1	179.2	55.3	0	0	0	0	111.9	Q241 D392 E393 S394	Q241-S390 PolarHBondContact NE2-OG 3.37Å; S390-D392 VanDerWaalsContact C-N 3.33Å; S390-D392 WeakPolarHBondContact CB-OD1 3.02Å; S390-D392 PolarHBondContact O-N 3.26Å; S390-D392 PolarHBondContact OG-OD1 2.9Å; S390-E393 PolarHBondContact O-N 3.07Å; S390-S394 WeakPolarHBondContact O-CB 3.42Å; S390-S394 PolarHBondContact O-N 2.93Å
391	S	98.9	Very high	98.2	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-62.5	-38.2	-179	-63.6	0	0	0	0	112.7	N238 F239 S394 F395	N238-S391 WeakPolarHBondContact CA-OG 3.33Å; N238-S391 PolarHBondContact O-N 3.45Å; N238-S391 PolarHBondContact O-OG 3.18Å; F239-S391 WeakPolarHBondContact CD2-OG 3.3Å; F239-S391 VanDerWaalsContact CE2-OG 3.3Å; F239-S391 WeakPolarHBondContact CE2-OG 3.33Å; F239-S391 PolarHBondContact N-OG 3.32Å; S391-S394 WeakPolarHBondContact O-CB 3.23Å; S391-S394 PolarHBondContact O-N 3.38Å; S391-F395 VanDerWaalsContact O-CD2 3.27Å; S391-F395 WeakPolarHBondContact O-CD2 3.34Å; S391-F395 PolarHBondContact O-N 3.38Å
392	D	98.8	Very high	98.2	Very high	17 Å²	17	44.8 Å²	44.8	9%	0.091	29%	0.286	C	S	.	.	H	α-helix	trans	-61.1	-45.7	176.5	53	-45.9	0	0	0	111.7	A151 R155 P242 S390 F395 A396	A151-D392 HydrophobicContact CB-CB 4.38Å; R155-D392 HydrophobicContact CB-CB 3.99Å; R155-D392 HydrophobicContact CG-CB 4.23Å; P242-D392 HydrophobicContact CB-CB 4.28Å; P242-D392 WeakPolarHBondContact CD-OD1 3.32Å; P242-D392 HydrophobicContact CG-CB 4.46Å; S390-D392 VanDerWaalsContact C-N 3.33Å; S390-D392 WeakPolarHBondContact CB-OD1 3.02Å; S390-D392 PolarHBondContact O-N 3.26Å; S390-D392 PolarHBondContact OG-OD1 2.9Å; D392-F395 PolarHBondContact O-N 2.73Å; D392-A396 WeakPolarHBondContact O-CB 3.38Å; D392-A396 PolarHBondContact O-N 2.77Å
393	E	98.8	Very high	98.2	Very high	98 Å²	98	42.5 Å²	42.5	46%	0.458	27%	0.272	S	S	.	.	H	α-helix	trans	-65.2	-41.8	175.1	-172.3	61.9	-131.8	0	0	112	F389 S390 F395 A396 M397	F389-E393 HydrophobicContact CB-CB 4.09Å; F389-E393 HydrophobicContact CB-CG 3.97Å; F389-E393 HydrophobicContact CG-CG 4.46Å; S390-E393 PolarHBondContact O-N 3.07Å; E393-F395 VanDerWaalsContact C-N 3.29Å; E393-F395 PolarHBondContact O-N 3.14Å; E393-A396 WeakPolarHBondContact O-CB 3.42Å; E393-A396 PolarHBondContact O-N 2.76Å; E393-M397 HydrophobicContact CG-CE 4.34Å; E393-M397 PolarHBondContact O-N 3.48Å
394	S	98.8	Very high	98.3	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-52.9	-48.2	175.8	-175.5	0	0	0	0	111.8	Q351 E353 S390 S391 M397 I398	Q351-S394 PolarHBondContact NE2-OG 3.47Å; Q351-S394 VanDerWaalsContact NE2-OG 3.09Å; E353-S394 VanDerWaalsContact C-OG 3.25Å; E353-S394 WeakPolarHBondContact CA-OG 3.28Å; E353-S394 WeakPolarHBondContact O-CB 3.43Å; E353-S394 PolarHBondContact O-OG 2.57Å; S390-S394 WeakPolarHBondContact O-CB 3.42Å; S390-S394 PolarHBondContact O-N 2.93Å; S391-S394 WeakPolarHBondContact O-CB 3.23Å; S391-S394 PolarHBondContact O-N 3.38Å; S394-M397 WeakPolarHBondContact O-CB 3.41Å; S394-M397 PolarHBondContact O-N 3.18Å; S394-I398 WeakPolarHBondContact O-CG1 3.18Å; S394-I398 PolarHBondContact O-N 3.2Å; S394-I398 VanDerWaalsContact O-N 3.15Å
395	F	98.8	Very high	98.4	Very high	1 Å²	1	35.9 Å²	35.9	0%	0.004	23%	0.23	C	C	.	.	H	α-helix	trans	-83.7	-18.4	-179.2	-75	-80.2	0	0	0	113.7	Q147 G148 E353 S391 D392 E393 I398 R399 D437	Q147-F395 HydrophobicContact CB-CE1 4.4Å; Q147-F395 HydrophobicContact CB-CE2 4.04Å; Q147-F395 HydrophobicContact CB-CZ 3.7Å; Q147-F395 HydrophobicContact CG-CD2 4.42Å; Q147-F395 HydrophobicContact CG-CE2 3.46Å; Q147-F395 VanDerWaalsContact CG-CE2 3.46Å; Q147-F395 HydrophobicContact CG-CZ 3.58Å; G148-F395 VanDerWaalsContact CA-CB 3.41Å; G148-F395 VanDerWaalsContact CA-CD1 3.4Å; G148-F395 VanDerWaalsContact CA-CD2 3.48Å; E353-F395 HydrophobicContact CB-CE1 4.48Å; E353-F395 HydrophobicContact CB-CE2 4.28Å; E353-F395 HydrophobicContact CB-CZ 3.82Å; E353-F395 HydrophobicContact CG-CZ 4.29Å; S391-F395 VanDerWaalsContact O-CD2 3.27Å; S391-F395 WeakPolarHBondContact O-CD2 3.34Å; S391-F395 PolarHBondContact O-N 3.38Å; D392-F395 PolarHBondContact O-N 2.73Å; E393-F395 VanDerWaalsContact C-N 3.29Å; E393-F395 PolarHBondContact O-N 3.14Å; F395-I398 HydrophobicContact CD1-CB 4.38Å; F395-I398 HydrophobicContact CD1-CD1 3.74Å; F395-I398 HydrophobicContact CE1-CD1 3.8Å; F395-I398 HydrophobicContact CG-CD1 4.35Å; F395-I398 HydrophobicContact CZ-CD1 4.43Å; F395-R399 WeakPolarHBondContact O-CB 3.41Å; F395-R399 PolarHBondContact O-N 2.71Å; F395-D437 HydrophobicContact CD1-CB 3.51Å; F395-D437 HydrophobicContact CE1-CB 3.7Å
396	A	98.8	Very high	98.5	Very high	41 Å²	41	31.9 Å²	31.9	34%	0.339	19%	0.188	S	C	.	.	H	α-helix	trans	-62.3	-45.8	163.7	0	0	0	0	0	110.6	D392 E393 G400	D392-A396 WeakPolarHBondContact O-CB 3.38Å; D392-A396 PolarHBondContact O-N 2.77Å; E393-A396 WeakPolarHBondContact O-CB 3.42Å; E393-A396 PolarHBondContact O-N 2.76Å; A396-G400 WeakPolarHBondContact O-CA 3.32Å; A396-G400 PolarHBondContact O-N 3Å
397	M	98.5	Very high	98.5	Very high	35 Å²	35	30.3 Å²	30.3	17%	0.172	18%	0.175	C	C	.	.	H	α-helix	trans	-59.3	-48.5	174.6	-74.2	-176.6	-75.9	0	0	112.4	F389 E393 S394 G401 H402	F389-M397 HydrophobicContact CD1-CE 3.84Å; F389-M397 HydrophobicContact CD2-CE 3.41Å; F389-M397 VanDerWaalsContact CD2-CE 3.41Å; F389-M397 HydrophobicContact CE1-CE 3.63Å; F389-M397 HydrophobicContact CE2-CE 3.18Å; F389-M397 HydrophobicContact CG-CE 3.75Å; F389-M397 HydrophobicContact CZ-CE 3.3Å; E393-M397 HydrophobicContact CG-CE 4.34Å; E393-M397 PolarHBondContact O-N 3.48Å; S394-M397 WeakPolarHBondContact O-CB 3.41Å; S394-M397 PolarHBondContact O-N 3.18Å; M397-G401 PolarHBondContact O-N 2.73Å; M397-H402 HydrophobicContact CB-CB 4.49Å; M397-H402 WeakPolarHBondContact O-CB 3.43Å; M397-H402 PolarHBondContact O-CD2 3.27Å; M397-H402 PolarHBondContact O-N 2.88Å
398	I	98.5	Very high	98.4	Very high	2 Å²	2	28.7 Å²	28.7	1%	0.01	16%	0.16	C	C	.	.	H	α-helix	trans	-63	-55.1	179.9	-68.2	162.9	0	0	0	110.8	E353 S394 F395 G400 G401 I403 D437 L438	E353-I398 HydrophobicContact CB-CD1 4.16Å; S394-I398 WeakPolarHBondContact O-CG1 3.18Å; S394-I398 PolarHBondContact O-N 3.2Å; S394-I398 VanDerWaalsContact O-N 3.15Å; F395-I398 HydrophobicContact CD1-CB 4.38Å; F395-I398 HydrophobicContact CD1-CD1 3.74Å; F395-I398 HydrophobicContact CE1-CD1 3.8Å; F395-I398 HydrophobicContact CG-CD1 4.35Å; F395-I398 HydrophobicContact CZ-CD1 4.43Å; I398-G400 VanDerWaalsContact C-N 3.29Å; I398-G400 PolarHBondContact O-N 2.76Å; I398-G401 PolarHBondContact O-N 2.87Å; I398-I403 HydrophobicContact CG1-CG1 4.2Å; I398-D437 HydrophobicContact CG2-CB 4.28Å; I398-D437 WeakPolarHBondContact CG2-O 3.47Å; I398-L438 HydrophobicContact CD1-CD2 3.81Å; I398-L438 HydrophobicContact CG1-CD2 4.05Å; I398-L438 HydrophobicContact CG2-CD2 3.82Å; I398-L438 HydrophobicContact CG2-CG 4.33Å
399	R	97.9	Very high	98.3	Very high	35 Å²	35	27.5 Å²	27.5	13%	0.132	17%	0.166	C	C	.	.	H	α-helix	trans	-67.6	-30.8	-175.3	-171.5	-175.7	-59.1	124.4	7.1	112.6	G148 T166 P167 F395 G401 D437	G148-R399 PolarHBondContact O-NH2 2.94Å; T166-R399 WeakPolarHBondContact OG1-CD 3.46Å; T166-R399 PolarHBondContact OG1-NE 3.24Å; T166-R399 VanDerWaalsContact OG1-NE 3.09Å; P167-R399 HydrophobicContact CG-CG 4.16Å; F395-R399 WeakPolarHBondContact O-CB 3.41Å; F395-R399 PolarHBondContact O-N 2.71Å; R399-G401 PolarHBondContact O-N 2.83Å; R399-D437 IonicContact CZ-OD1 3.48Å; R399-D437 IonicContact NE-OD1 2.83Å; R399-D437 IonicContact NH2-OD1 2.81Å; R399-D437 PolarHBondContact NH2-OD1 2.86Å
400	G	97.6	Very high	98.3	Very high	52 Å²	52	27.2 Å²	27.2	54%	0.536	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-10.3	174.5	0	0	0	0	0	113.9	A396 I398	A396-G400 WeakPolarHBondContact O-CA 3.32Å; A396-G400 PolarHBondContact O-N 3Å; I398-G400 VanDerWaalsContact C-N 3.29Å; I398-G400 PolarHBondContact O-N 2.76Å
401	G	97.1	Very high	98.1	Very high	18 Å²	18	29.4 Å²	29.4	19%	0.186	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	74.6	27.1	-177.7	0	0	0	0	0	113.5	M397 I398 R399 I403 S441	M397-G401 PolarHBondContact O-N 2.73Å; I398-G401 PolarHBondContact O-N 2.87Å; R399-G401 PolarHBondContact O-N 2.83Å; G401-I403 PolarHBondContact O-N 2.86Å; G401-S441 WeakPolarHBondContact CA-OG 3.45Å; G401-S441 PolarHBondContact N-OG 3.25Å
402	H	98.1	Very high	98.1	Very high	127 Å²	127	30.4 Å²	30.4	59%	0.588	18%	0.182	S	C	*	.			trans	-78.4	-8.5	175.1	-59.9	-78.3	0	0	0	112.8	M397	M397-H402 HydrophobicContact CB-CB 4.49Å; M397-H402 WeakPolarHBondContact O-CB 3.43Å; M397-H402 PolarHBondContact O-CD2 3.27Å; M397-H402 PolarHBondContact O-N 2.88Å
403	I	98.3	Very high	98.1	Very high	4 Å²	4	29.6 Å²	29.6	2%	0.021	18%	0.177	C	C	.	.			trans	-93.6	127.1	174.2	-52.9	-55.9	0	0	0	108.5	N329 Q351 I398 G401 L405 T444	N329-I403 HydrophobicContact CB-CG2 4.15Å; Q351-I403 HydrophobicContact CB-CD1 3.93Å; Q351-I403 HydrophobicContact CG-CD1 3.96Å; I398-I403 HydrophobicContact CG1-CG1 4.2Å; G401-I403 PolarHBondContact O-N 2.86Å; I403-L405 VanDerWaalsContact CG2-O 3.3Å; I403-L405 WeakPolarHBondContact CG2-O 3.35Å; I403-T444 HydrophobicContact CB-CG2 4.39Å; I403-T444 HydrophobicContact CG2-CG2 4.4Å; I403-T444 VanDerWaalsContact O-CB 3.3Å; I403-T444 WeakPolarHBondContact O-CB 3.43Å; I403-T444 VanDerWaalsContact O-CG2 3.31Å; I403-T444 WeakPolarHBondContact O-CG2 3.26Å; I403-T444 PolarHBondContact O-OG1 2.89Å
404	N	98.6	Very high	98.1	Very high	79 Å²	79	24.9 Å²	24.9	42%	0.422	16%	0.156	S	C	.	.	S	Bend	trans	-75.4	-40.3	-179.4	-55.6	113.5	0	0	0	111.6	M326 Y327 K445	M326-N404 HydrophobicContact CB-CB 4.4Å; M326-N404 HydrophobicContact CE-CB 4.47Å; Y327-N404 PolarHBondContact N-OD1 3.29Å; Y327-N404 WeakPolarHBondContact O-CB 3.26Å; Y327-N404 PolarHBondContact O-N 3.48Å; N404-K445 WeakPolarHBondContact O-CB 3.15Å; N404-K445 PolarHBondContact O-N 3.21Å
405	L	98.6	Very high	98.1	Very high	2 Å²	2	26.4 Å²	26.4	1%	0.01	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	127	-176.1	178.2	68.7	0	0	0	111.8	E321 F322 M326 Y327 A328 N329 I403 M407 K445 V447	E321-L405 HydrophobicContact CB-CD2 4.17Å; F322-L405 HydrophobicContact CD1-CD2 4.2Å; F322-L405 HydrophobicContact CE1-CD2 4.14Å; M326-L405 HydrophobicContact CE-CB 3.25Å; M326-L405 HydrophobicContact CE-CD2 3.6Å; M326-L405 HydrophobicContact CE-CG 4.04Å; Y327-L405 PolarHBondContact O-N 3.14Å; A328-L405 CarbonylContact C-O 3.52Å; A328-L405 VanDerWaalsContact CA-O 3.23Å; A328-L405 WeakPolarHBondContact CA-O 3.48Å; A328-L405 HydrophobicContact CB-CB 4.2Å; A328-L405 HydrophobicContact CB-CD2 4.48Å; N329-L405 PolarHBondContact N-O 2.96Å; I403-L405 VanDerWaalsContact CG2-O 3.3Å; I403-L405 WeakPolarHBondContact CG2-O 3.35Å; L405-M407 HydrophobicContact CD2-CE 4.1Å; L405-K445 WeakPolarHBondContact CA-O 3.47Å; L405-K445 HydrophobicContact CD1-CB 4.36Å; L405-K445 HydrophobicContact CD1-CD 4.35Å; L405-K445 HydrophobicContact CD1-CG 4.25Å; L405-V447 HydrophobicContact CD1-CB 4.14Å; L405-V447 HydrophobicContact CD1-CG2 3.47Å; L405-V447 VanDerWaalsContact CD1-CG2 3.47Å
406	T	98.6	Very high	98.1	Very high	1 Å²	1	29.8 Å²	29.8	1%	0.006	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	125.9	162.8	-75.4	0	0	0	0	108	N329 L408 L438 V439 T444 K445 V446 V447	N329-T406 WeakPolarHBondContact O-CA 3.29Å; T406-L408 HydrophobicContact CG2-CD1 3.45Å; T406-L408 VanDerWaalsContact CG2-CD1 3.45Å; T406-L408 HydrophobicContact CG2-CD2 4.32Å; T406-L408 HydrophobicContact CG2-CG 3.59Å; T406-L438 HydrophobicContact CG2-CB 3.84Å; T406-L438 PolarHBondContact OG1-O 3.17Å; T406-L438 VanDerWaalsContact OG1-O 3.07Å; T406-V439 HydrophobicContact CG2-CG1 4.44Å; T406-T444 WeakPolarHBondContact OG1-CG2 3.43Å; T406-K445 PolarHBondContact N-O 3.28Å; T406-V446 WeakPolarHBondContact O-CA 3.38Å; T406-V447 PolarHBondContact O-N 3.48Å
407	M	98.4	Very high	98	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	121.6	174.4	-168.9	-170.2	-63.1	0	0	111.2	A318 E321 N329 L330 G331 P335 A338 L405 V447 T449	A318-M407 HydrophobicContact CB-CE 4Å; A318-M407 HydrophobicContact CB-SD 3.75Å; A318-M407 WeakPolarHBondContact O-CE 3.29Å; E321-M407 HydrophobicContact CB-CE 4.12Å; E321-M407 HydrophobicContact CG-CE 4.38Å; N329-M407 PolarHBondContact O-N 3.41Å; L330-M407 HydrophobicContact CD2-CB 3.81Å; G331-M407 PolarHBondContact N-O 2.79Å; P335-M407 HydrophobicContact CB-CB 3.93Å; P335-M407 HydrophobicContact CB-CG 3.72Å; P335-M407 VanDerWaalsContact CB-O 3.22Å; P335-M407 WeakPolarHBondContact CB-O 3.2Å; P335-M407 HydrophobicContact CB-SD 3.8Å; P335-M407 HydrophobicContact CG-CG 4.04Å; P335-M407 WeakPolarHBondContact CG-O 3.48Å; P335-M407 HydrophobicContact CG-SD 4.43Å; A338-M407 HydrophobicContact CB-SD 4.49Å; L405-M407 HydrophobicContact CD2-CE 4.1Å; M407-V447 VanDerWaalsContact CA-O 3.25Å; M407-V447 WeakPolarHBondContact CA-O 3.29Å; M407-V447 HydrophobicContact CG-CB 4.2Å; M407-V447 HydrophobicContact CG-CG1 4.29Å; M407-T449 HydrophobicContact CG-CG2 3.73Å; M407-T449 HydrophobicContact SD-CG2 3.54Å; M407-T449 VanDerWaalsContact SD-CG2 3.54Å
408	L	97.3	Very high	98	Very high	11 Å²	11	27.2 Å²	27.2	6%	0.058	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	161.5	-170.9	-59.4	169.9	0	0	0	112.3	T406 L438 V439 V447 V448 T449	T406-L408 HydrophobicContact CG2-CD1 3.45Å; T406-L408 VanDerWaalsContact CG2-CD1 3.45Å; T406-L408 HydrophobicContact CG2-CD2 4.32Å; T406-L408 HydrophobicContact CG2-CG 3.59Å; L408-L438 HydrophobicContact CD1-CB 4.1Å; L408-L438 HydrophobicContact CD1-CD1 4.35Å; L408-L438 HydrophobicContact CD2-CD1 3.99Å; L408-V439 HydrophobicContact CD1-CG1 3.62Å; L408-V447 PolarHBondContact N-O 2.89Å; L408-V448 WeakPolarHBondContact O-CA 3.37Å; L408-T449 PolarHBondContact O-N 3.04Å
409	G	97.1	Very high	98	Very high	33 Å²	33	27.1 Å²	27.1	34%	0.34	16%	0.156	S	C	.	.			trans	-81.3	156.9	167.2	0	0	0	0	0	112.6	N421	G409-N421 PolarHBondContact O-ND2 2.97Å; G409-N421 VanDerWaalsContact O-ND2 3.07Å
410	A	97.2	Very high	98	Very high	13 Å²	13	25.5 Å²	25.5	11%	0.107	15%	0.15	C	C	.	.			trans	-136.3	146.9	175.5	0	0	0	0	0	113.5	V413 L419 V448 M450 K460	A410-V413 HydrophobicContact CB-CG2 3.76Å; A410-L419 HydrophobicContact CB-CD1 3.4Å; A410-L419 VanDerWaalsContact CB-CD1 3.4Å; A410-V448 HydrophobicContact CB-CG1 3.4Å; A410-V448 HydrophobicContact CB-CG2 4.39Å; A410-M450 HydrophobicContact CB-CE 4.42Å; A410-M450 HydrophobicContact CB-SD 4.02Å; A410-K460 PolarHBondContact O-NZ 2.67Å
411	M	96.4	Very high	97.9	Very high	49 Å²	49	24.7 Å²	24.7	24%	0.241	13%	0.134	C	C	.	.	S	Bend	trans	-84.5	-43.6	164.6	-62.3	179.2	-177	0	0	110.3	A420 I424 M428 K460 L467	M411-A420 WeakPolarHBondContact CA-O 3.38Å; M411-A420 WeakPolarHBondContact CB-O 3.04Å; M411-A420 PolarHBondContact N-O 3.26Å; M411-I424 HydrophobicContact CE-CD1 4.37Å; M411-I424 HydrophobicContact CE-CG1 4.31Å; M411-I424 HydrophobicContact SD-CD1 3.97Å; M411-I424 HydrophobicContact SD-CG1 3.72Å; M411-M428 HydrophobicContact CE-SD 4.18Å; M411-K460 WeakPolarHBondContact O-CB 3.3Å; M411-K460 WeakPolarHBondContact O-CE 3.34Å; M411-K460 WeakPolarHBondContact O-CG 3.46Å; M411-L467 HydrophobicContact CB-CD1 3.72Å; M411-L467 HydrophobicContact SD-CD1 4Å
412	Q	98.1	Very high	97.8	Very high	20 Å²	20	24.2 Å²	24.2	9%	0.093	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	151.1	174.5	-63.2	180	-31.1	0	0	111.5	A420 K460 M462 C465 L467	Q412-A420 HydrophobicContact CB-CB 4.31Å; Q412-A420 PolarHBondContact N-O 3.07Å; Q412-A420 PolarHBondContact O-N 3.48Å; Q412-K460 CarbonylContact C-O 3.52Å; Q412-K460 WeakPolarHBondContact CA-O 3.34Å; Q412-M462 HydrophobicContact CG-SD 4.32Å; Q412-M462 PolarHBondContact NE2-SD 3.06Å; Q412-C465 HydrophobicContact CB-CB 4.39Å; Q412-L467 HydrophobicContact CG-CD1 4.09Å; Q412-L467 HydrophobicContact CG-CG 4.47Å; Q412-L467 VanDerWaalsContact OE1-N 3.08Å
413	V	98.7	Very high	97.4	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	135.3	169.2	-174	0	0	0	0	109	A410 D418 L419 V448 M450 K460 I461 M462 V475 I478	A410-V413 HydrophobicContact CB-CG2 3.76Å; V413-D418 CarbonylContact C-O 3.52Å; V413-D418 VanDerWaalsContact CA-O 3.25Å; V413-D418 WeakPolarHBondContact CA-O 3.43Å; V413-L419 HydrophobicContact CG2-CD1 4.27Å; V413-V448 HydrophobicContact CG2-CB 4.32Å; V413-V448 HydrophobicContact CG2-CG1 3.91Å; V413-V448 HydrophobicContact CG2-CG2 4.13Å; V413-M450 HydrophobicContact CG2-SD 3.84Å; V413-K460 PolarHBondContact N-O 3.48Å; V413-I461 WeakPolarHBondContact O-CA 3.25Å; V413-M462 PolarHBondContact O-N 3.42Å; V413-V475 HydrophobicContact CG1-CB 4.19Å; V413-V475 HydrophobicContact CG1-CG1 4.24Å; V413-V475 HydrophobicContact CG1-CG2 4.03Å; V413-I478 HydrophobicContact CB-CD1 3.92Å; V413-I478 HydrophobicContact CG1-CD1 3.53Å; V413-I478 HydrophobicContact CG1-CG1 4.03Å; V413-I478 HydrophobicContact CG2-CD1 4.48Å
414	S	98.7	Very high	97	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	166.8	178.3	84.5	0	0	0	0	113	Y416 G417 D418 M462	S414-Y416 PolarHBondContact O-N 2.81Å; S414-Y416 PolarHBondContact OG-N 2.95Å; S414-G417 PolarHBondContact O-N 3.5Å; S414-G417 PolarHBondContact OG-N 2.92Å; S414-D418 WeakPolarHBondContact CB-OD2 3.49Å; S414-D418 PolarHBondContact N-O 2.9Å; S414-D418 WeakPolarHBondContact OG-CB 3.33Å; S414-D418 PolarHBondContact OG-N 3.46Å; S414-D418 PolarHBondContact OG-OD2 3.11Å; S414-M462 CarbonylContact C-O 3.29Å; S414-M462 VanDerWaalsContact C-O 3.29Å; S414-M462 WeakPolarHBondContact CA-O 3.5Å
415	K	98.5	Very high	96.3	Very high	32 Å²	32	20.4 Å²	20.4	14%	0.139	11%	0.114	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.9	-38.5	176.9	-179.7	-178	176.8	-163.3	0	113.1	M462 E463 G492 L493 A513	K415-M462 PolarHBondContact N-O 3.01Å; K415-E463 VanDerWaalsContact CD-OE1 3.26Å; K415-E463 WeakPolarHBondContact CD-OE1 3.23Å; K415-E463 WeakPolarHBondContact CD-OE2 3.38Å; K415-E463 IonicContact NZ-OE1 3.94Å; K415-G492 CarbonylContact O-C 3.45Å; K415-G492 WeakPolarHBondContact O-CA 3.46Å; K415-L493 HydrophobicContact CG-CG 4.44Å; K415-L493 WeakPolarHBondContact O-CG 3.25Å; K415-L493 PolarHBondContact O-N 2.88Å; K415-A513 HydrophobicContact CB-CB 4.24Å
416	Y	98.4	Very high	95.3	Very high	71 Å²	71	24 Å²	24	28%	0.278	15%	0.151	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.1	13.3	-177.1	-56.8	-71	0	0	0	112.8	S414 Q473 T490	S414-Y416 PolarHBondContact O-N 2.81Å; S414-Y416 PolarHBondContact OG-N 2.95Å; Y416-Q473 WeakPolarHBondContact O-CA 3.31Å; Y416-T490 VanDerWaalsContact CE1-O 3.23Å; Y416-T490 WeakPolarHBondContact CE1-O 3.32Å
417	G	98.3	Very high	94.4	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	18%	0.183	C	C	.	.			trans	89.1	23.8	171.9	0	0	0	0	0	115.7	S414 Q473 C474 V475	S414-G417 PolarHBondContact O-N 3.5Å; S414-G417 PolarHBondContact OG-N 2.92Å; G417-Q473 CarbonylContact O-C 3.54Å; G417-C474 PolarHBondContact O-N 3.28Å; G417-V475 PolarHBondContact O-N 2.9Å
418	D	98.6	Very high	93.6	Very high	23 Å²	23	34.8 Å²	34.8	12%	0.123	20%	0.2	C	C	.	.			trans	-69	139.7	165.3	-47.4	-46.2	0	0	0	109.4	V413 S414 L469 G471 K472 Q473	V413-D418 CarbonylContact C-O 3.52Å; V413-D418 VanDerWaalsContact CA-O 3.25Å; V413-D418 WeakPolarHBondContact CA-O 3.43Å; S414-D418 WeakPolarHBondContact CB-OD2 3.49Å; S414-D418 PolarHBondContact N-O 2.9Å; S414-D418 WeakPolarHBondContact OG-CB 3.33Å; S414-D418 PolarHBondContact OG-N 3.46Å; S414-D418 PolarHBondContact OG-OD2 3.11Å; D418-L469 HydrophobicContact CB-CD1 4.17Å; D418-L469 HydrophobicContact CB-CD2 3.82Å; D418-G471 WeakPolarHBondContact CA-O 3.3Å; D418-K472 WeakPolarHBondContact OD1-CA 3.41Å; D418-K472 WeakPolarHBondContact OD1-CG 3.34Å; D418-Q473 PolarHBondContact OD1-N 3.06Å
419	L	98.5	Very high	93	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	136	-178	175.5	63.6	0	0	0	110.5	A410 V413 V439 V448 L469 T470 G471 V475	A410-L419 HydrophobicContact CB-CD1 3.4Å; A410-L419 VanDerWaalsContact CB-CD1 3.4Å; V413-L419 HydrophobicContact CG2-CD1 4.27Å; L419-V439 HydrophobicContact CD2-CG1 3.76Å; L419-V439 HydrophobicContact CD2-CG2 4.45Å; L419-V448 HydrophobicContact CD1-CG2 3.96Å; L419-L469 CarbonylContact O-C 3.47Å; L419-L469 WeakPolarHBondContact O-CA 3.49Å; L419-T470 HydrophobicContact CD2-CG2 4.22Å; L419-T470 WeakPolarHBondContact O-CB 3.35Å; L419-T470 PolarHBondContact O-N 3.05Å; L419-T470 PolarHBondContact O-OG1 2.99Å; L419-G471 PolarHBondContact N-O 3.18Å; L419-G471 PolarHBondContact O-N 2.93Å; L419-V475 HydrophobicContact CB-CG2 3.94Å; L419-V475 HydrophobicContact CD1-CG2 4.41Å
420	A	97.9	Very high	92.4	Very high	1 Å²	1	35 Å²	35	1%	0.008	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	121.3	167.3	0	0	0	0	0	110.9	M411 Q412 C465 L467 P468 T470	M411-A420 WeakPolarHBondContact CA-O 3.38Å; M411-A420 WeakPolarHBondContact CB-O 3.04Å; M411-A420 PolarHBondContact N-O 3.26Å; Q412-A420 HydrophobicContact CB-CB 4.31Å; Q412-A420 PolarHBondContact N-O 3.07Å; Q412-A420 PolarHBondContact O-N 3.48Å; A420-C465 HydrophobicContact CB-CB 4.32Å; A420-L467 HydrophobicContact CB-CB 3.8Å; A420-P468 WeakPolarHBondContact CB-O 3.47Å; A420-T470 WeakPolarHBondContact CA-OG1 3.22Å
421	N	95.4	Very high	92	Very high	34 Å²	34	34.6 Å²	34.6	18%	0.182	19%	0.188	C	C	.	.			trans	-149.5	2.5	-178.2	74.8	-3	0	0	0	117.1	G409 T470	G409-N421 PolarHBondContact O-ND2 2.97Å; G409-N421 VanDerWaalsContact O-ND2 3.07Å; N421-T470 PolarHBondContact N-OG1 2.69Å; N421-T470 WeakPolarHBondContact OD1-CG2 3.44Å; N421-T470 PolarHBondContact OD1-OG1 2.85Å
422	W	93.4	Very high	91.9	Very high	8 Å²	8	32.7 Å²	32.7	3%	0.03	18%	0.179	C	C	.	.	S	Bend	trans	-114	-19.9	-167.7	69.8	-88.6	0	0	0	116	L144 L173 M432 M436 P468 L469	L144-W422 HydrophobicContact CD1-CZ3 3.84Å; L173-W422 HydrophobicContact CD1-CH2 4.47Å; L173-W422 HydrophobicContact CD1-CZ2 4.25Å; W422-M432 HydrophobicContact CB-CB 3.93Å; W422-M432 HydrophobicContact CD2-CB 4.23Å; W422-M432 HydrophobicContact CD2-CE 3.99Å; W422-M432 HydrophobicContact CE3-CB 4.44Å; W422-M432 HydrophobicContact CE3-CE 3.69Å; W422-M432 HydrophobicContact CG-CB 4Å; W422-M432 HydrophobicContact CH2-CE 3.76Å; W422-M432 HydrophobicContact CZ2-CE 4.05Å; W422-M432 HydrophobicContact CZ3-CE 3.55Å; W422-M436 HydrophobicContact CD2-CE 4.46Å; W422-M436 HydrophobicContact CZ2-CE 4.24Å; W422-P468 HydrophobicContact CZ2-CB 3.81Å; W422-P468 PolarHBondContact NE1-O 2.83Å; W422-L469 PolarHBondContact NE1-O 3.49Å
423	M	90.4	Very high	91.8	Very high	5 Å²	5	32 Å²	32	3%	0.025	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	142.5	-176.4	178	-176	-78.9	0	0	112.4	L144 P425 V429 P468	L144-M423 HydrophobicContact CD1-CE 4.19Å; M423-P425 HydrophobicContact SD-CG 4.45Å; M423-V429 HydrophobicContact CE-CB 4.25Å; M423-V429 HydrophobicContact CE-CG1 3.42Å; M423-V429 VanDerWaalsContact CE-CG1 3.42Å; M423-V429 HydrophobicContact CE-CG2 3.92Å; M423-V429 HydrophobicContact CG-CG2 4.19Å; M423-P468 HydrophobicContact CB-CG 4.46Å; M423-P468 HydrophobicContact CG-CG 4.43Å; M423-P468 HydrophobicContact SD-CG 4.18Å
424	I	89.1	Confident	91.8	Very high	47 Å²	47	32.1 Å²	32.1	24%	0.241	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	107	161	-55.8	176.4	0	0	0	106.9	M411 G426 K427 M428 L467	M411-I424 HydrophobicContact CE-CD1 4.37Å; M411-I424 HydrophobicContact CE-CG1 4.31Å; M411-I424 HydrophobicContact SD-CD1 3.97Å; M411-I424 HydrophobicContact SD-CG1 3.72Å; I424-G426 PolarHBondContact O-N 2.88Å; I424-K427 HydrophobicContact CB-CB 4.33Å; I424-K427 HydrophobicContact CG2-CB 3.95Å; I424-K427 HydrophobicContact CG2-CD 4.49Å; I424-K427 PolarHBondContact O-N 3.15Å; I424-M428 HydrophobicContact CB-CB 4.27Å; I424-M428 PolarHBondContact N-O 3.12Å; I424-M428 PolarHBondContact O-N 2.86Å; I424-L467 HydrophobicContact CG1-CD1 4.38Å; I424-L467 HydrophobicContact CG1-CD2 4.3Å; I424-L467 HydrophobicContact CG2-CD2 4.28Å
425	P	84	Confident	91.7	Very high	79 Å²	79	32.8 Å²	32.8	51%	0.513	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50.2	132.9	-178.4	-29.8	36.2	0	0	0	112.7	M423 K427 P468	M423-P425 HydrophobicContact SD-CG 4.45Å; P425-K427 PolarHBondContact O-N 2.76Å; P425-K427 VanDerWaalsContact O-N 3.16Å; P425-P468 HydrophobicContact CG-CG 3.86Å
426	G	77.9	Confident	91.7	Very high	76 Å²	76	31.3 Å²	31.3	78%	0.784	18%	0.177	S	C	*	.	T	Hydrogen-bonded Turn	trans	71.1	-0.2	179.3	0	0	0	0	0	116	I424	I424-G426 PolarHBondContact O-N 2.88Å
427	K	80.8	Confident	91.7	Very high	158 Å²	158	28 Å²	28	69%	0.687	16%	0.164	S	C	*	.	T	Hydrogen-bonded Turn	trans	-129.1	-44	-178.1	-175	176.2	180	177.5	0	114.2	I424 P425	I424-K427 HydrophobicContact CB-CB 4.33Å; I424-K427 HydrophobicContact CG2-CB 3.95Å; I424-K427 HydrophobicContact CG2-CD 4.49Å; I424-K427 PolarHBondContact O-N 3.15Å; P425-K427 PolarHBondContact O-N 2.76Å; P425-K427 VanDerWaalsContact O-N 3.16Å
428	M	81.1	Confident	91.7	Very high	71 Å²	71	28.1 Å²	28.1	35%	0.35	17%	0.165	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	116	-173.6	-174	-175.2	-57.5	0	0	109.9	M411 I424 K430	M411-M428 HydrophobicContact CE-SD 4.18Å; I424-M428 HydrophobicContact CB-CB 4.27Å; I424-M428 PolarHBondContact N-O 3.12Å; I424-M428 PolarHBondContact O-N 2.86Å; M428-K430 HydrophobicContact CG-CG 4.08Å
429	V	84.1	Confident	91.6	Very high	1 Å²	1	27.2 Å²	27.2	1%	0.006	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	87.8	176	-173.7	0	0	0	0	109.1	Y135 L136 L144 M423	Y135-V429 HydrophobicContact CD1-CG1 4.43Å; Y135-V429 HydrophobicContact CE1-CB 4.01Å; Y135-V429 HydrophobicContact CE1-CG1 3.65Å; Y135-V429 HydrophobicContact CE1-CG2 4.29Å; L136-V429 HydrophobicContact CD2-CG2 4.32Å; L144-V429 HydrophobicContact CD1-CG1 3.68Å; M423-V429 HydrophobicContact CE-CB 4.25Å; M423-V429 HydrophobicContact CE-CG1 3.42Å; M423-V429 VanDerWaalsContact CE-CG1 3.42Å; M423-V429 HydrophobicContact CE-CG2 3.92Å; M423-V429 HydrophobicContact CG-CG2 4.19Å
430	K	84.9	Confident	91.5	Very high	48 Å²	48	28.2 Å²	28.2	21%	0.209	17%	0.169	C	C	.	.			trans	-91	-21.1	176.4	-65.6	-57.7	-169.7	-173.9	0	112.9	Y124 V125 G126 E132 M428	Y124-K430 CarbonylContact C-O 3.55Å; Y124-K430 WeakPolarHBondContact CA-O 3.28Å; Y124-K430 HydrophobicContact CD2-CB 4.34Å; Y124-K430 WeakPolarHBondContact CD2-O 3.42Å; Y124-K430 HydrophobicContact CE2-CB 3.68Å; V125-K430 PolarHBondContact N-O 2.92Å; G126-K430 PolarHBondContact O-NZ 3.07Å; E132-K430 IonicContact OE2-NZ 3.85Å; E132-K430 PolarHBondContact OE2-NZ 3.35Å; M428-K430 HydrophobicContact CG-CG 4.08Å
431	G	89.6	Confident	91.3	Very high	4 Å²	4	28.6 Å²	28.6	4%	0.041	17%	0.171	C	C	.	.			trans	90.5	162.9	-172.1	0	0	0	0	0	111.9	S123	S123-G431 CarbonylContact O-C 3.5Å
432	M	94.6	Very high	90.9	Very high	8 Å²	8	31 Å²	31	4%	0.039	20%	0.195	C	C	.	.			trans	-83.6	-18.6	-173.7	58.9	-73.8	-64.5	0	0	114.4	S123 L144 P146 I174 W422 G434 A435 M436	S123-M432 PolarHBondContact O-N 3.01Å; L144-M432 HydrophobicContact CB-CE 4.22Å; L144-M432 HydrophobicContact CB-SD 4.06Å; P146-M432 HydrophobicContact CB-CG 4.34Å; P146-M432 HydrophobicContact CG-CG 4.25Å; I174-M432 HydrophobicContact CD1-CE 3.66Å; I174-M432 HydrophobicContact CG1-CE 3.98Å; W422-M432 HydrophobicContact CB-CB 3.93Å; W422-M432 HydrophobicContact CD2-CB 4.23Å; W422-M432 HydrophobicContact CD2-CE 3.99Å; W422-M432 HydrophobicContact CE3-CB 4.44Å; W422-M432 HydrophobicContact CE3-CE 3.69Å; W422-M432 HydrophobicContact CG-CB 4Å; W422-M432 HydrophobicContact CH2-CE 3.76Å; W422-M432 HydrophobicContact CZ2-CE 4.05Å; W422-M432 HydrophobicContact CZ3-CE 3.55Å; M432-G434 PolarHBondContact O-N 3.05Å; M432-A435 WeakPolarHBondContact O-CB 3.45Å; M432-A435 PolarHBondContact O-N 3.16Å; M432-M436 HydrophobicContact CB-CE 4.13Å; M432-M436 HydrophobicContact CB-CG 3.89Å; M432-M436 HydrophobicContact CB-SD 4.23Å; M432-M436 HydrophobicContact CE-CE 3.67Å; M432-M436 HydrophobicContact CE-SD 4.12Å; M432-M436 HydrophobicContact CG-CE 4.25Å; M432-M436 HydrophobicContact CG-CG 3.96Å; M432-M436 HydrophobicContact CG-SD 3.9Å
433	G	95.6	Very high	90.8	Very high	7 Å²	7	33.3 Å²	33.3	7%	0.072	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	51.2	-136.4	-173.1	0	0	0	0	0	111.3	S123 Q147 A435	S123-G433 PolarHBondContact O-N 2.92Å; Q147-G433 VanDerWaalsContact CB-C 3.45Å; Q147-G433 WeakPolarHBondContact CB-O 3.42Å; Q147-G433 PolarHBondContact N-O 3.49Å; G433-A435 VanDerWaalsContact C-N 3.33Å
434	G	97.1	Very high	91.2	Very high	1 Å²	1	33.4 Å²	33.4	1%	0.01	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.3	-5.1	174.1	0	0	0	0	0	116	M432 M436 D437 L438	M432-G434 PolarHBondContact O-N 3.05Å; G434-M436 VanDerWaalsContact C-N 3.34Å; G434-M436 PolarHBondContact O-N 2.98Å; G434-D437 PolarHBondContact O-N 3.17Å; G434-D437 VanDerWaalsContact O-N 3.1Å; G434-L438 WeakPolarHBondContact O-CG 3.48Å; G434-L438 PolarHBondContact O-N 2.75Å
435	A	97.4	Very high	91.6	Very high	15 Å²	15	34.4 Å²	34.4	12%	0.124	23%	0.226	C	C	.	.	H	α-helix	trans	-60.1	-39.1	-167.5	0	0	0	0	0	113.7	M432 G433 L438 V439 T470	M432-A435 WeakPolarHBondContact O-CB 3.45Å; M432-A435 PolarHBondContact O-N 3.16Å; G433-A435 VanDerWaalsContact C-N 3.33Å; A435-L438 PolarHBondContact O-N 3.36Å; A435-V439 WeakPolarHBondContact O-CG2 3.34Å; A435-V439 PolarHBondContact O-N 2.77Å; A435-T470 HydrophobicContact CB-CG2 3.77Å
436	M	98.5	Very high	92.3	Very high	1 Å²	1	30.7 Å²	30.7	1%	0.005	20%	0.202	C	C	.	.	H	α-helix	trans	-67.5	-38	178.8	-64.2	-169.8	167.9	0	0	112.1	P146 T168 T172 I174 W422 M432 G434 A440 L469 T470	P146-M436 HydrophobicContact CB-CB 4.24Å; P146-M436 HydrophobicContact CB-SD 4.49Å; P146-M436 HydrophobicContact CG-CB 4.36Å; P146-M436 HydrophobicContact CG-SD 3.7Å; T168-M436 HydrophobicContact CG2-CB 3.78Å; T172-M436 HydrophobicContact CG2-CE 4.23Å; I174-M436 HydrophobicContact CG1-CE 3.98Å; I174-M436 HydrophobicContact CG1-SD 3.74Å; W422-M436 HydrophobicContact CD2-CE 4.46Å; W422-M436 HydrophobicContact CZ2-CE 4.24Å; M432-M436 HydrophobicContact CB-CE 4.13Å; M432-M436 HydrophobicContact CB-CG 3.89Å; M432-M436 HydrophobicContact CB-SD 4.23Å; M432-M436 HydrophobicContact CE-CE 3.67Å; M432-M436 HydrophobicContact CE-SD 4.12Å; M432-M436 HydrophobicContact CG-CE 4.25Å; M432-M436 HydrophobicContact CG-CG 3.96Å; M432-M436 HydrophobicContact CG-SD 3.9Å; G434-M436 VanDerWaalsContact C-N 3.34Å; G434-M436 PolarHBondContact O-N 2.98Å; M436-A440 VanDerWaalsContact O-CB 3.28Å; M436-A440 WeakPolarHBondContact O-CB 3.17Å; M436-A440 PolarHBondContact O-N 2.74Å; M436-L469 WeakPolarHBondContact CE-O 3.48Å; M436-T470 HydrophobicContact CG-CG2 3.95Å; M436-T470 VanDerWaalsContact CG-O 3.3Å; M436-T470 WeakPolarHBondContact CG-O 3.26Å
437	D	98.5	Very high	93.3	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-69	-40.8	177.8	-66.5	-88.7	0	0	0	111	G148 T168 F395 I398 R399 G434 V439 A440	G148-D437 WeakPolarHBondContact CA-OD1 3.11Å; G148-D437 WeakPolarHBondContact CA-OD2 3.44Å; G148-D437 PolarHBondContact N-OD2 2.85Å; T168-D437 HydrophobicContact CG2-CB 4.28Å; T168-D437 VanDerWaalsContact CG2-CG 3.44Å; T168-D437 WeakPolarHBondContact CG2-OD1 3.32Å; T168-D437 PolarHBondContact OG1-OD1 3.11Å; F395-D437 HydrophobicContact CD1-CB 3.51Å; F395-D437 HydrophobicContact CE1-CB 3.7Å; I398-D437 HydrophobicContact CG2-CB 4.28Å; I398-D437 WeakPolarHBondContact CG2-O 3.47Å; R399-D437 IonicContact CZ-OD1 3.48Å; R399-D437 IonicContact NE-OD1 2.83Å; R399-D437 IonicContact NH2-OD1 2.81Å; R399-D437 PolarHBondContact NH2-OD1 2.86Å; G434-D437 PolarHBondContact O-N 3.17Å; G434-D437 VanDerWaalsContact O-N 3.1Å; D437-V439 VanDerWaalsContact C-N 3.25Å; D437-V439 PolarHBondContact O-N 3.04Å; D437-A440 PolarHBondContact O-N 3.39Å
438	L	97.8	Very high	94.2	Very high	3 Å²	3	19.6 Å²	19.6	2%	0.016	13%	0.132	C	C	.	.	H	α-helix	trans	-62.5	-29	-178.1	-74.7	170.3	0	0	0	114.2	N329 I398 T406 L408 G434 A435	N329-L438 HydrophobicContact CB-CD2 3.77Å; N329-L438 WeakPolarHBondContact OD1-CD1 3.2Å; N329-L438 VanDerWaalsContact OD1-CD2 3.32Å; N329-L438 WeakPolarHBondContact OD1-CD2 3.37Å; I398-L438 HydrophobicContact CD1-CD2 3.81Å; I398-L438 HydrophobicContact CG1-CD2 4.05Å; I398-L438 HydrophobicContact CG2-CD2 3.82Å; I398-L438 HydrophobicContact CG2-CG 4.33Å; T406-L438 HydrophobicContact CG2-CB 3.84Å; T406-L438 PolarHBondContact OG1-O 3.17Å; T406-L438 VanDerWaalsContact OG1-O 3.07Å; L408-L438 HydrophobicContact CD1-CB 4.1Å; L408-L438 HydrophobicContact CD1-CD1 4.35Å; L408-L438 HydrophobicContact CD2-CD1 3.99Å; G434-L438 WeakPolarHBondContact O-CG 3.48Å; G434-L438 PolarHBondContact O-N 2.75Å; A435-L438 PolarHBondContact O-N 3.36Å
439	V	97.9	Very high	95	Very high	4 Å²	4	16.3 Å²	16.3	2%	0.024	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.7	-2.6	179.2	-53.7	0	0	0	0	113	T406 L408 L419 A435 D437 V446 T470 C474	T406-V439 HydrophobicContact CG2-CG1 4.44Å; L408-V439 HydrophobicContact CD1-CG1 3.62Å; L419-V439 HydrophobicContact CD2-CG1 3.76Å; L419-V439 HydrophobicContact CD2-CG2 4.45Å; A435-V439 WeakPolarHBondContact O-CG2 3.34Å; A435-V439 PolarHBondContact O-N 2.77Å; D437-V439 VanDerWaalsContact C-N 3.25Å; D437-V439 PolarHBondContact O-N 3.04Å; V439-V446 HydrophobicContact CB-CG1 4.41Å; V439-V446 HydrophobicContact CB-CG2 4.27Å; V439-V446 HydrophobicContact CG1-CG1 3.81Å; V439-V446 HydrophobicContact CG1-CG2 4.33Å; V439-T470 HydrophobicContact CG2-CG2 4.39Å; V439-C474 HydrophobicContact CB-CB 3.89Å; V439-C474 HydrophobicContact CG2-CB 4.16Å; V439-C474 VanDerWaalsContact O-CB 3.23Å; V439-C474 WeakPolarHBondContact O-CB 3.3Å
440	A	96.3	Very high	95.7	Very high	21 Å²	21	16.5 Å²	16.5	17%	0.174	12%	0.117	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74	-36.9	-178.3	0	0	0	0	0	111.4	P167 R204 M436 D437	P167-A440 HydrophobicContact CB-CB 4.37Å; P167-A440 HydrophobicContact CG-CB 4.18Å; R204-A440 VanDerWaalsContact NH2-C 3.34Å; R204-A440 PolarHBondContact NH2-O 3.2Å; M436-A440 VanDerWaalsContact O-CB 3.28Å; M436-A440 WeakPolarHBondContact O-CB 3.17Å; M436-A440 PolarHBondContact O-N 2.74Å; D437-A440 PolarHBondContact O-N 3.39Å
441	S	92.9	Very high	96.2	Very high	10 Å²	10	17.6 Å²	17.6	7%	0.07	12%	0.122	C	C	.	.			trans	-68.9	130.4	-170.2	-170.1	0	0	0	0	113.7	G401 G443	G401-S441 WeakPolarHBondContact CA-OG 3.45Å; G401-S441 PolarHBondContact N-OG 3.25Å; S441-G443 VanDerWaalsContact C-N 3.29Å; S441-G443 PolarHBondContact O-N 3.11Å; S441-G443 PolarHBondContact OG-N 3.29Å
442	A	86.3	Confident	96.6	Very high	83 Å²	83	17.4 Å²	17.4	69%	0.686	12%	0.12	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74	-18.6	175.2	0	0	0	0	0	113.5	T444	A442-T444 VanDerWaalsContact C-N 3.34Å
443	G	92.5	Very high	96.7	Very high	57 Å²	57	17.9 Å²	17.9	59%	0.588	13%	0.125	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.9	0.4	179.8	0	0	0	0	0	114.2	S441	S441-G443 VanDerWaalsContact C-N 3.29Å; S441-G443 PolarHBondContact O-N 3.11Å; S441-G443 PolarHBondContact OG-N 3.29Å
444	T	97.8	Very high	96.5	Very high	8 Å²	8	19.6 Å²	19.6	5%	0.049	14%	0.138	C	C	.	.	S	Bend	trans	-116.9	126.5	-173.5	-60.4	0	0	0	0	109.6	I403 T406 A442 V446	I403-T444 HydrophobicContact CB-CG2 4.39Å; I403-T444 HydrophobicContact CG2-CG2 4.4Å; I403-T444 VanDerWaalsContact O-CB 3.3Å; I403-T444 WeakPolarHBondContact O-CB 3.43Å; I403-T444 VanDerWaalsContact O-CG2 3.31Å; I403-T444 WeakPolarHBondContact O-CG2 3.26Å; I403-T444 PolarHBondContact O-OG1 2.89Å; T406-T444 WeakPolarHBondContact OG1-CG2 3.43Å; A442-T444 VanDerWaalsContact C-N 3.34Å; T444-V446 PolarHBondContact O-N 2.81Å
445	K	98.6	Very high	96	Very high	67 Å²	67	29.3 Å²	29.3	29%	0.291	18%	0.18	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71	127	173.1	-178.5	178.9	170.5	-169.8	0	109.6	E321 N404 L405 T406 V447 D476	E321-K445 WeakPolarHBondContact OE2-CE 3.31Å; E321-K445 IonicContact OE2-NZ 2.73Å; E321-K445 PolarHBondContact OE2-NZ 3.15Å; N404-K445 WeakPolarHBondContact O-CB 3.15Å; N404-K445 PolarHBondContact O-N 3.21Å; L405-K445 WeakPolarHBondContact CA-O 3.47Å; L405-K445 HydrophobicContact CD1-CB 4.36Å; L405-K445 HydrophobicContact CD1-CD 4.35Å; L405-K445 HydrophobicContact CD1-CG 4.25Å; T406-K445 PolarHBondContact N-O 3.28Å; K445-V447 HydrophobicContact CD-CG2 4.48Å; K445-V447 HydrophobicContact CG-CG2 4.26Å; K445-D476 WeakPolarHBondContact CA-OD2 3.5Å; K445-D476 HydrophobicContact CG-CB 4.33Å
446	V	98.8	Very high	95.4	Very high	2 Å²	2	32.6 Å²	32.6	1%	0.012	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	113.5	179.6	-177.9	0	0	0	0	110.4	T406 V439 T444 C474 V475 D476 R477	T406-V446 WeakPolarHBondContact O-CA 3.38Å; V439-V446 HydrophobicContact CB-CG1 4.41Å; V439-V446 HydrophobicContact CB-CG2 4.27Å; V439-V446 HydrophobicContact CG1-CG1 3.81Å; V439-V446 HydrophobicContact CG1-CG2 4.33Å; T444-V446 PolarHBondContact O-N 2.81Å; V446-C474 VanDerWaalsContact CB-O 3.29Å; V446-C474 WeakPolarHBondContact CB-O 3.4Å; V446-C474 WeakPolarHBondContact CG2-O 3.01Å; V446-V475 HydrophobicContact CG1-CG2 4.46Å; V446-D476 PolarHBondContact N-OD2 2.93Å; V446-D476 PolarHBondContact O-N 2.83Å; V446-R477 PolarHBondContact O-N 3.07Å
447	V	98.8	Very high	94.9	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	124.3	176.8	-179.3	0	0	0	0	109.9	E321 L405 T406 M407 L408 K445 R477 I479	E321-V447 HydrophobicContact CG-CG1 4.37Å; E321-V447 HydrophobicContact CG-CG2 4.38Å; L405-V447 HydrophobicContact CD1-CB 4.14Å; L405-V447 HydrophobicContact CD1-CG2 3.47Å; L405-V447 VanDerWaalsContact CD1-CG2 3.47Å; T406-V447 PolarHBondContact O-N 3.48Å; M407-V447 VanDerWaalsContact CA-O 3.25Å; M407-V447 WeakPolarHBondContact CA-O 3.29Å; M407-V447 HydrophobicContact CG-CB 4.2Å; M407-V447 HydrophobicContact CG-CG1 4.29Å; L408-V447 PolarHBondContact N-O 2.89Å; K445-V447 HydrophobicContact CD-CG2 4.48Å; K445-V447 HydrophobicContact CG-CG2 4.26Å; V447-R477 CarbonylContact C-O 3.56Å; V447-R477 WeakPolarHBondContact CA-O 3.39Å; V447-R477 HydrophobicContact CG1-CB 4.49Å; V447-R477 HydrophobicContact CG1-CG 4.42Å; V447-R477 HydrophobicContact CG2-CB 4.22Å; V447-I479 HydrophobicContact CG1-CD1 3.61Å; V447-I479 HydrophobicContact CG1-CG1 3.96Å
448	V	98.8	Very high	94.6	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	126.6	173.4	171.1	0	0	0	0	110	L408 A410 V413 L419 M450 V475 R477 I479	L408-V448 WeakPolarHBondContact O-CA 3.37Å; A410-V448 HydrophobicContact CB-CG1 3.4Å; A410-V448 HydrophobicContact CB-CG2 4.39Å; V413-V448 HydrophobicContact CG2-CB 4.32Å; V413-V448 HydrophobicContact CG2-CG1 3.91Å; V413-V448 HydrophobicContact CG2-CG2 4.13Å; L419-V448 HydrophobicContact CD1-CG2 3.96Å; V448-M450 HydrophobicContact CG1-CB 4.19Å; V448-M450 HydrophobicContact CG1-CG 3.95Å; V448-M450 HydrophobicContact CG1-SD 3.57Å; V448-M450 VanDerWaalsContact CG1-SD 3.57Å; V448-V475 HydrophobicContact CB-CG1 4.23Å; V448-V475 HydrophobicContact CG2-CB 4.34Å; V448-V475 HydrophobicContact CG2-CG1 3.7Å; V448-V475 HydrophobicContact CG2-CG2 3.63Å; V448-R477 PolarHBondContact N-O 3.27Å; V448-I479 PolarHBondContact O-N 2.96Å
449	T	98.5	Very high	94.6	Very high	3 Å²	3	45.7 Å²	45.7	2%	0.018	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	121.4	169.4	61.6	0	0	0	0	110.1	I314 A318 I334 P335 M407 L408 I479	I314-T449 HydrophobicContact CG2-CG2 4.23Å; A318-T449 HydrophobicContact CB-CG2 3.71Å; I334-T449 HydrophobicContact CG2-CG2 4.12Å; I334-T449 WeakPolarHBondContact CG2-OG1 3.3Å; P335-T449 WeakPolarHBondContact CD-OG1 3.46Å; P335-T449 WeakPolarHBondContact CG-OG1 3.41Å; M407-T449 HydrophobicContact CG-CG2 3.73Å; M407-T449 HydrophobicContact SD-CG2 3.54Å; M407-T449 VanDerWaalsContact SD-CG2 3.54Å; L408-T449 PolarHBondContact O-N 3.04Å; T449-I479 WeakPolarHBondContact CA-O 3.17Å; T449-I479 HydrophobicContact CG2-CB 4.44Å
450	M	97.6	Very high	94.6	Very high	5 Å²	5	47 Å²	47	3%	0.025	29%	0.293	C	S	.	.			trans	-157.8	152.2	-174.2	64.2	-171.5	-69.4	0	0	112.3	A410 V413 V448 K460 I478 I479 T480	A410-M450 HydrophobicContact CB-CE 4.42Å; A410-M450 HydrophobicContact CB-SD 4.02Å; V413-M450 HydrophobicContact CG2-SD 3.84Å; V448-M450 HydrophobicContact CG1-CB 4.19Å; V448-M450 HydrophobicContact CG1-CG 3.95Å; V448-M450 HydrophobicContact CG1-SD 3.57Å; V448-M450 VanDerWaalsContact CG1-SD 3.57Å; M450-K460 HydrophobicContact CE-CB 3.32Å; M450-K460 HydrophobicContact CE-CD 3.95Å; M450-K460 HydrophobicContact CE-CG 4.23Å; M450-I478 HydrophobicContact CG-CG2 4.25Å; M450-I478 HydrophobicContact SD-CG2 3.97Å; M450-I479 PolarHBondContact N-O 3.15Å; M450-T480 HydrophobicContact CG-CG2 4.12Å; M450-T480 WeakPolarHBondContact O-CA 3.37Å; M450-T480 VanDerWaalsContact O-CB 3.25Å; M450-T480 WeakPolarHBondContact O-CB 3.25Å
451	E	96.9	Very high	94.7	Very high	70 Å²	70	46 Å²	46	33%	0.327	29%	0.285	S	S	.	.			trans	-61.4	139.7	160.9	-68.2	172.9	-153.7	0	0	109.4	V310 R311 I314 S453 K460 E481	V310-E451 HydrophobicContact CG1-CG 4.24Å; R311-E451 IonicContact NE-OE1 2.89Å; R311-E451 IonicContact NH2-OE1 2.7Å; I314-E451 HydrophobicContact CD1-CG 4.44Å; E451-S453 PolarHBondContact O-N 3.32Å; E451-K460 WeakPolarHBondContact O-CD 3.4Å; E451-K460 PolarHBondContact O-NZ 3.22Å; E451-E481 WeakPolarHBondContact CA-OE2 3.4Å
452	H	97.8	Very high	94.9	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	29%	0.291	C	S	.	.	S	Bend	trans	-65.8	-38.4	-169.6	-163.7	99.1	0	0	0	113.1	T480 E481 K482 F485 C510 T511	H452-T480 HydrophobicContact CB-CG2 4.09Å; H452-T480 WeakPolarHBondContact CB-OG1 3.47Å; H452-T480 PolarHBondContact ND1-OG1 3.28Å; H452-E481 VanDerWaalsContact CB-OE1 3.31Å; H452-E481 WeakPolarHBondContact CB-OE1 3.25Å; H452-E481 WeakPolarHBondContact CB-OE2 3.3Å; H452-E481 PolarHBondContact N-OE1 2.96Å; H452-E481 PolarHBondContact N-OE2 2.87Å; H452-K482 HydrophobicContact CB-CD 4.08Å; H452-K482 HydrophobicContact CB-CG 4.27Å; H452-F485 AromaticContact CE1-CE2 3.82Å; H452-C510 PolarHBondContact CD2-SG 3.32Å; H452-C510 PolarHBondContact NE2-SG 2.93Å; H452-T511 PolarHBondContact NE2-OG1 2.92Å; H452-T511 VanDerWaalsContact NE2-OG1 3.07Å
453	S	95.4	Very high	95.5	Very high	19 Å²	19	47 Å²	47	13%	0.133	28%	0.275	C	S	.	.	B	Isolated β-bridge	trans	-128.1	153.4	-179.2	-52	0	0	0	0	110.4	E451 K460	E451-S453 PolarHBondContact O-N 3.32Å; S453-K460 VanDerWaalsContact C-CD 3.49Å
454	A	92.1	Very high	95.7	Very high	42 Å²	42	51.9 Å²	51.9	35%	0.347	28%	0.279	S	S	.	.			trans	-77.8	168.4	171.6	0	0	0	0	0	110.6	G456 G457 K458 K460	A454-G456 PolarHBondContact O-N 3.45Å; A454-G457 PolarHBondContact O-N 2.81Å; A454-K458 HydrophobicContact CB-CB 4.24Å; A454-K458 PolarHBondContact N-O 2.97Å; A454-K460 HydrophobicContact CB-CD 4.13Å; A454-K460 HydrophobicContact CB-CG 4.01Å
455	K	86.2	Confident	95.7	Very high	205 Å²	205	52.5 Å²	52.5	89%	0.891	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.1	134.4	172.7	-67.8	-174.8	178.4	-177.6	0	110.5
456	G	85.5	Confident	95.6	Very high	85 Å²	85	54.7 Å²	54.7	88%	0.876	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.3	15.9	-175.6	0	0	0	0	0	114.5	A454 K458	A454-G456 PolarHBondContact O-N 3.45Å; G456-K458 VanDerWaalsContact C-N 3.33Å; G456-K458 PolarHBondContact O-N 3.1Å
457	G	87.3	Confident	95.5	Very high	49 Å²	49	56.1 Å²	56.1	51%	0.505	31%	0.31	S	S	.	.	S	Bend	trans	80.2	6.1	171.1	0	0	0	0	0	115.4	A454 H459	A454-G457 PolarHBondContact O-N 2.81Å; G457-H459 PolarHBondContact O-N 3.47Å
458	K	93.4	Very high	95.3	Very high	156 Å²	156	57 Å²	57	68%	0.678	32%	0.316	S	S	*	.			trans	-64.5	136.4	178.1	-64.2	-176	179.3	-174.3	0	110.8	A454 G456	A454-K458 HydrophobicContact CB-CB 4.24Å; A454-K458 PolarHBondContact N-O 2.97Å; G456-K458 VanDerWaalsContact C-N 3.33Å; G456-K458 PolarHBondContact O-N 3.1Å
459	H	96.6	Very high	95.3	Very high	74 Å²	74	58.7 Å²	58.7	34%	0.343	33%	0.325	S	S	.	.	B	Isolated β-bridge	trans	-64.6	140.9	179	-54.7	-49.1	0	0	0	111.8	G457 M462 C510	G457-H459 PolarHBondContact O-N 3.47Å; H459-M462 HydrophobicContact CB-CG 4.19Å; H459-C510 VanDerWaalsContact ND1-C 3.28Å; H459-C510 PolarHBondContact ND1-O 3.07Å
460	K	98.1	Very high	95.3	Very high	30 Å²	30	58.6 Å²	58.6	13%	0.13	32%	0.324	C	S	.	.	S	Bend	trans	-112.8	-26.5	170.5	-62.2	174.8	66.2	-158.1	0	112.3	A410 M411 Q412 V413 M450 E451 S453 A454	A410-K460 PolarHBondContact O-NZ 2.67Å; M411-K460 WeakPolarHBondContact O-CB 3.3Å; M411-K460 WeakPolarHBondContact O-CE 3.34Å; M411-K460 WeakPolarHBondContact O-CG 3.46Å; Q412-K460 CarbonylContact C-O 3.52Å; Q412-K460 WeakPolarHBondContact CA-O 3.34Å; V413-K460 PolarHBondContact N-O 3.48Å; M450-K460 HydrophobicContact CE-CB 3.32Å; M450-K460 HydrophobicContact CE-CD 3.95Å; M450-K460 HydrophobicContact CE-CG 4.23Å; E451-K460 WeakPolarHBondContact O-CD 3.4Å; E451-K460 PolarHBondContact O-NZ 3.22Å; S453-K460 VanDerWaalsContact C-CD 3.49Å; A454-K460 HydrophobicContact CB-CD 4.13Å; A454-K460 HydrophobicContact CB-CG 4.01Å
461	I	98.6	Very high	95.3	Very high	1 Å²	1	58.8 Å²	58.8	1%	0.005	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	117.3	167	-55.4	170.9	0	0	0	106.6	V413 I478 T480 F485 L493 T511 G512	V413-I461 WeakPolarHBondContact O-CA 3.25Å; I461-I478 HydrophobicContact CD1-CD1 4.44Å; I461-I478 HydrophobicContact CD1-CG2 4.04Å; I461-I478 HydrophobicContact CG1-CD1 4.4Å; I461-I478 HydrophobicContact CG1-CG2 4.47Å; I461-I478 HydrophobicContact CG2-CD1 4.34Å; I461-T480 HydrophobicContact CD1-CG2 4.14Å; I461-F485 HydrophobicContact CD1-CD2 4.1Å; I461-F485 HydrophobicContact CD1-CE2 3.77Å; I461-L493 HydrophobicContact CG2-CD1 3.5Å; I461-T511 HydrophobicContact CB-CG2 4.02Å; I461-T511 HydrophobicContact CG2-CG2 3.75Å; I461-G512 WeakPolarHBondContact O-CA 3.43Å; I461-G512 PolarHBondContact O-N 3.36Å
462	M	97.6	Very high	95.3	Very high	42 Å²	42	60.1 Å²	60.1	21%	0.207	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	160.3	-165	-57.6	-173.8	65.3	0	0	112	Q412 V413 S414 K415 H459 K464 V466 G512	Q412-M462 HydrophobicContact CG-SD 4.32Å; Q412-M462 PolarHBondContact NE2-SD 3.06Å; V413-M462 PolarHBondContact O-N 3.42Å; S414-M462 CarbonylContact C-O 3.29Å; S414-M462 VanDerWaalsContact C-O 3.29Å; S414-M462 WeakPolarHBondContact CA-O 3.5Å; K415-M462 PolarHBondContact N-O 3.01Å; H459-M462 HydrophobicContact CB-CG 4.19Å; M462-K464 VanDerWaalsContact C-N 3.27Å; M462-K464 WeakPolarHBondContact CB-O 3.38Å; M462-K464 PolarHBondContact O-N 2.88Å; M462-V466 HydrophobicContact CE-CG1 4.39Å; M462-G512 CarbonylContact C-O 3.58Å; M462-G512 WeakPolarHBondContact CA-O 3.26Å
463	E	97.8	Very high	95.3	Very high	73 Å²	73	64.3 Å²	64.3	34%	0.341	35%	0.352	S	S	.	.	S	Bend	trans	-58.2	-43	174.6	-168.9	65	-157.8	0	0	111.6	K415 G512	K415-E463 VanDerWaalsContact CD-OE1 3.26Å; K415-E463 WeakPolarHBondContact CD-OE1 3.23Å; K415-E463 WeakPolarHBondContact CD-OE2 3.38Å; K415-E463 IonicContact NZ-OE1 3.94Å; E463-G512 PolarHBondContact N-O 3.31Å
464	K	97.9	Very high	95.4	Very high	158 Å²	158	64 Å²	64	69%	0.687	35%	0.35	S	S	*	.	S	Bend	trans	-139.8	144.2	172.9	-64.9	-175.1	-179.3	-178.2	0	109.5	M462	M462-K464 VanDerWaalsContact C-N 3.27Å; M462-K464 WeakPolarHBondContact CB-O 3.38Å; M462-K464 PolarHBondContact O-N 2.88Å
465	C	97.8	Very high	95.7	Very high	22 Å²	22	62 Å²	62	15%	0.149	33%	0.333	C	S	.	.			trans	-66.8	144.7	170.5	-66	0	0	0	0	109.8	Q412 A420 L469	Q412-C465 HydrophobicContact CB-CB 4.39Å; A420-C465 HydrophobicContact CB-CB 4.32Å; C465-L469 HydrophobicContact CB-CD2 3.58Å
466	V	95.9	Very high	96.3	Very high	112 Å²	112	54.5 Å²	54.5	68%	0.679	30%	0.303	S	S	*	.			trans	-105.8	-16.4	172.4	-59	0	0	0	0	111.8	M462	M462-V466 HydrophobicContact CE-CG1 4.39Å
467	L	96.1	Very high	96.9	Very high	33 Å²	33	52.5 Å²	52.5	17%	0.173	27%	0.269	C	S	.	.	S	Bend	trans	-83.4	153.6	171.6	-63.6	178.9	0	0	0	110.8	M411 Q412 A420 I424 L469	M411-L467 HydrophobicContact CB-CD1 3.72Å; M411-L467 HydrophobicContact SD-CD1 4Å; Q412-L467 HydrophobicContact CG-CD1 4.09Å; Q412-L467 HydrophobicContact CG-CG 4.47Å; Q412-L467 VanDerWaalsContact OE1-N 3.08Å; A420-L467 HydrophobicContact CB-CB 3.8Å; I424-L467 HydrophobicContact CG1-CD1 4.38Å; I424-L467 HydrophobicContact CG1-CD2 4.3Å; I424-L467 HydrophobicContact CG2-CD2 4.28Å; L467-L469 PolarHBondContact O-N 2.89Å
468	P	96.5	Very high	97.5	Very high	18 Å²	18	50.2 Å²	50.2	12%	0.117	25%	0.245	C	C	.	.	P	Polyproline II helix	trans	-52.1	131.2	175.2	-28.5	36.3	0	0	0	112.7	L173 A420 W422 M423 P425	L173-P468 HydrophobicContact CD1-CB 3.78Å; L173-P468 HydrophobicContact CD1-CG 3.98Å; L173-P468 HydrophobicContact CG-CB 4.38Å; A420-P468 WeakPolarHBondContact CB-O 3.47Å; W422-P468 HydrophobicContact CZ2-CB 3.81Å; W422-P468 PolarHBondContact NE1-O 2.83Å; M423-P468 HydrophobicContact CB-CG 4.46Å; M423-P468 HydrophobicContact CG-CG 4.43Å; M423-P468 HydrophobicContact SD-CG 4.18Å; P425-P468 HydrophobicContact CG-CG 3.86Å
469	L	98.1	Very high	97.8	Very high	36 Å²	36	42.8 Å²	42.8	19%	0.188	21%	0.212	C	C	.	.	P	Polyproline II helix	trans	-70.4	148.9	-176.8	-62.4	-173	0	0	0	112	T172 D418 L419 W422 M436 C465 L467	T172-L469 HydrophobicContact CG2-CB 4.15Å; D418-L469 HydrophobicContact CB-CD1 4.17Å; D418-L469 HydrophobicContact CB-CD2 3.82Å; L419-L469 CarbonylContact O-C 3.47Å; L419-L469 WeakPolarHBondContact O-CA 3.49Å; W422-L469 PolarHBondContact NE1-O 3.49Å; M436-L469 WeakPolarHBondContact CE-O 3.48Å; C465-L469 HydrophobicContact CB-CD2 3.58Å; L467-L469 PolarHBondContact O-N 2.89Å
470	T	98.1	Very high	97.8	Very high	1 Å²	1	39.2 Å²	39.2	1%	0.006	20%	0.196	C	C	.	.	S	Bend	trans	-97.2	-41.1	169.2	-43.1	0	0	0	0	109.4	L419 A420 N421 A435 M436 V439	L419-T470 HydrophobicContact CD2-CG2 4.22Å; L419-T470 WeakPolarHBondContact O-CB 3.35Å; L419-T470 PolarHBondContact O-N 3.05Å; L419-T470 PolarHBondContact O-OG1 2.99Å; A420-T470 WeakPolarHBondContact CA-OG1 3.22Å; N421-T470 PolarHBondContact N-OG1 2.69Å; N421-T470 WeakPolarHBondContact OD1-CG2 3.44Å; N421-T470 PolarHBondContact OD1-OG1 2.85Å; A435-T470 HydrophobicContact CB-CG2 3.77Å; M436-T470 HydrophobicContact CG-CG2 3.95Å; M436-T470 VanDerWaalsContact CG-O 3.3Å; M436-T470 WeakPolarHBondContact CG-O 3.26Å; V439-T470 HydrophobicContact CG2-CG2 4.39Å
471	G	97.8	Very high	97.8	Very high	9 Å²	9	38.8 Å²	38.8	9%	0.093	19%	0.194	C	C	.	.	B	Isolated β-bridge	trans	-159.2	143.3	175.1	0	0	0	0	0	110.1	D418 L419 C474	D418-G471 WeakPolarHBondContact CA-O 3.3Å; L419-G471 PolarHBondContact N-O 3.18Å; L419-G471 PolarHBondContact O-N 2.93Å; G471-C474 PolarHBondContact O-SG 3.21Å
472	K	97.3	Very high	97.8	Very high	98 Å²	98	41.5 Å²	41.5	43%	0.426	21%	0.206	S	C	.	.	S	Bend	trans	-87.9	133.6	176.1	-176.5	177.9	179.1	-178.8	0	109.6	D418 C474	D418-K472 WeakPolarHBondContact OD1-CA 3.41Å; D418-K472 WeakPolarHBondContact OD1-CG 3.34Å; K472-C474 PolarHBondContact O-N 2.92Å; K472-C474 VanDerWaalsContact O-N 3.1Å
473	Q	97.1	Very high	97.8	Very high	88 Å²	88	39.5 Å²	39.5	41%	0.411	20%	0.196	S	C	.	.	S	Bend	trans	46.2	42.9	176	-64.4	178.1	3.7	0	0	113.9	Y416 G417 D418 K489	Y416-Q473 WeakPolarHBondContact O-CA 3.31Å; G417-Q473 CarbonylContact O-C 3.54Å; D418-Q473 PolarHBondContact OD1-N 3.06Å; Q473-K489 HydrophobicContact CB-CB 4.34Å; Q473-K489 HydrophobicContact CB-CD 4.1Å; Q473-K489 HydrophobicContact CB-CG 4.42Å; Q473-K489 WeakPolarHBondContact O-CD 3.25Å; Q473-K489 WeakPolarHBondContact O-CE 3.38Å; Q473-K489 PolarHBondContact O-NZ 2.9Å; Q473-K489 VanDerWaalsContact O-NZ 3.11Å
474	C	97.8	Very high	97.9	Very high	13 Å²	13	36 Å²	36	9%	0.088	18%	0.18	C	C	.	.			trans	-104.4	-26.1	-172.1	61.6	0	0	0	0	113.5	G417 V439 V446 G471 K472 K489	G417-C474 PolarHBondContact O-N 3.28Å; V439-C474 HydrophobicContact CB-CB 3.89Å; V439-C474 HydrophobicContact CG2-CB 4.16Å; V439-C474 VanDerWaalsContact O-CB 3.23Å; V439-C474 WeakPolarHBondContact O-CB 3.3Å; V446-C474 VanDerWaalsContact CB-O 3.29Å; V446-C474 WeakPolarHBondContact CB-O 3.4Å; V446-C474 WeakPolarHBondContact CG2-O 3.01Å; G471-C474 PolarHBondContact O-SG 3.21Å; K472-C474 PolarHBondContact O-N 2.92Å; K472-C474 VanDerWaalsContact O-N 3.1Å; C474-K489 PolarHBondContact O-NZ 3.41Å
475	V	98.6	Very high	97.9	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	15%	0.147	C	C	.	.			trans	-78.9	133	-177.3	-177.8	0	0	0	0	111.5	V413 G417 L419 V446 V448 R477 I478 V487 K489	V413-V475 HydrophobicContact CG1-CB 4.19Å; V413-V475 HydrophobicContact CG1-CG1 4.24Å; V413-V475 HydrophobicContact CG1-CG2 4.03Å; G417-V475 PolarHBondContact O-N 2.9Å; L419-V475 HydrophobicContact CB-CG2 3.94Å; L419-V475 HydrophobicContact CD1-CG2 4.41Å; V446-V475 HydrophobicContact CG1-CG2 4.46Å; V448-V475 HydrophobicContact CB-CG1 4.23Å; V448-V475 HydrophobicContact CG2-CB 4.34Å; V448-V475 HydrophobicContact CG2-CG1 3.7Å; V448-V475 HydrophobicContact CG2-CG2 3.63Å; V475-R477 WeakPolarHBondContact CG1-O 3.36Å; V475-I478 HydrophobicContact CG1-CG1 3.98Å; V475-V487 HydrophobicContact CG1-CG2 4.29Å; V475-V487 WeakPolarHBondContact O-CB 3.31Å; V475-V487 WeakPolarHBondContact O-CG1 3.46Å; V475-K489 PolarHBondContact O-NZ 3.12Å
476	D	98.8	Very high	98	Very high	47 Å²	47	30.1 Å²	30.1	25%	0.251	15%	0.154	S	C	.	.			trans	-105	-27.7	177.8	-54.4	-50.2	0	0	0	112.6	K445 V446 V487 K489	K445-D476 WeakPolarHBondContact CA-OD2 3.5Å; K445-D476 HydrophobicContact CG-CB 4.33Å; V446-D476 PolarHBondContact N-OD2 2.93Å; V446-D476 PolarHBondContact O-N 2.83Å; D476-V487 PolarHBondContact O-N 2.82Å; D476-K489 WeakPolarHBondContact OD1-CE 3.44Å; D476-K489 IonicContact OD1-NZ 3.5Å; D476-K489 PolarHBondContact OD1-NZ 3.16Å
477	R	98.8	Very high	98.1	Very high	43 Å²	43	25.3 Å²	25.3	16%	0.162	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	143	177.5	174.9	170.7	-70.8	175.6	-1	112.1	E321 V446 V447 V448 V475 I479 V484 F485 D486	E321-R477 VanDerWaalsContact CD-NH1 3.3Å; E321-R477 WeakPolarHBondContact OE1-CD 3.38Å; E321-R477 IonicContact OE1-CZ 2.77Å; E321-R477 IonicContact OE1-NE 2.73Å; E321-R477 IonicContact OE1-NH1 3.79Å; E321-R477 PolarHBondContact OE1-NH1 2.82Å; E321-R477 IonicContact OE2-CZ 3.18Å; E321-R477 IonicContact OE2-NH1 3.38Å; E321-R477 PolarHBondContact OE2-NH1 3.05Å; V446-R477 PolarHBondContact O-N 3.07Å; V447-R477 CarbonylContact C-O 3.56Å; V447-R477 WeakPolarHBondContact CA-O 3.39Å; V447-R477 HydrophobicContact CG1-CB 4.49Å; V447-R477 HydrophobicContact CG1-CG 4.42Å; V447-R477 HydrophobicContact CG2-CB 4.22Å; V448-R477 PolarHBondContact N-O 3.27Å; V475-R477 WeakPolarHBondContact CG1-O 3.36Å; R477-I479 HydrophobicContact CG-CG1 4.09Å; R477-V484 HydrophobicContact CG-CG1 3.87Å; R477-F485 CarbonylContact C-O 3.56Å; R477-F485 VanDerWaalsContact CA-O 3.26Å; R477-F485 WeakPolarHBondContact CA-O 3.45Å; R477-F485 WeakPolarHBondContact CG-O 3.19Å; R477-D486 IonicContact CZ-OD1 2.64Å; R477-D486 IonicContact NE-OD1 3.65Å; R477-D486 PolarHBondContact NE-OD1 3.39Å; R477-D486 IonicContact NH2-OD1 3.16Å; R477-D486 PolarHBondContact NH2-OD1 2.93Å; R477-D486 IonicContact NH2-OD2 2.92Å; R477-D486 PolarHBondContact NH2-OD2 2.96Å
478	I	98.9	Very high	98.2	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	124.4	174.4	-52.2	167.8	0	0	0	108.3	V413 M450 I461 V475 T480 V484 F485 V487 L493	V413-I478 HydrophobicContact CB-CD1 3.92Å; V413-I478 HydrophobicContact CG1-CD1 3.53Å; V413-I478 HydrophobicContact CG1-CG1 4.03Å; V413-I478 HydrophobicContact CG2-CD1 4.48Å; M450-I478 HydrophobicContact CG-CG2 4.25Å; M450-I478 HydrophobicContact SD-CG2 3.97Å; I461-I478 HydrophobicContact CD1-CD1 4.44Å; I461-I478 HydrophobicContact CD1-CG2 4.04Å; I461-I478 HydrophobicContact CG1-CD1 4.4Å; I461-I478 HydrophobicContact CG1-CG2 4.47Å; I461-I478 HydrophobicContact CG2-CD1 4.34Å; V475-I478 HydrophobicContact CG1-CG1 3.98Å; I478-T480 HydrophobicContact CG2-CG2 3.91Å; I478-V484 VanDerWaalsContact O-CA 3.32Å; I478-V484 WeakPolarHBondContact O-CA 3.42Å; I478-F485 HydrophobicContact CB-CB 4.37Å; I478-F485 HydrophobicContact CB-CD2 4.47Å; I478-F485 PolarHBondContact N-O 3.35Å; I478-F485 PolarHBondContact O-N 3.14Å; I478-V487 HydrophobicContact CD1-CG2 3.93Å; I478-V487 HydrophobicContact CG1-CG2 3.87Å; I478-L493 HydrophobicContact CD1-CD2 3.85Å
479	I	98.8	Very high	98.2	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	119.2	175.4	-56.5	177.6	0	0	0	108.1	I314 R317 A318 E321 V447 V448 T449 M450 R477 V484	I314-I479 HydrophobicContact CG2-CG2 4.1Å; R317-I479 HydrophobicContact CB-CG2 4Å; R317-I479 HydrophobicContact CG-CG2 3.69Å; A318-I479 HydrophobicContact CB-CD1 4.22Å; E321-I479 HydrophobicContact CG-CD1 3.79Å; V447-I479 HydrophobicContact CG1-CD1 3.61Å; V447-I479 HydrophobicContact CG1-CG1 3.96Å; V448-I479 PolarHBondContact O-N 2.96Å; T449-I479 WeakPolarHBondContact CA-O 3.17Å; T449-I479 HydrophobicContact CG2-CB 4.44Å; M450-I479 PolarHBondContact N-O 3.15Å; R477-I479 HydrophobicContact CG-CG1 4.09Å; I479-V484 HydrophobicContact CG1-CG1 4.17Å; I479-V484 HydrophobicContact CG2-CG2 4.42Å
480	T	98.6	Very high	98	Very high	0 Å²	0	32 Å²	32	0%	0	16%	0.162	C	C	.	.			trans	-121.7	178.1	172.8	90.6	0	0	0	0	111.2	M450 H452 I461 I478 K482 A483 M524	M450-T480 HydrophobicContact CG-CG2 4.12Å; M450-T480 WeakPolarHBondContact O-CA 3.37Å; M450-T480 VanDerWaalsContact O-CB 3.25Å; M450-T480 WeakPolarHBondContact O-CB 3.25Å; H452-T480 HydrophobicContact CB-CG2 4.09Å; H452-T480 WeakPolarHBondContact CB-OG1 3.47Å; H452-T480 PolarHBondContact ND1-OG1 3.28Å; I461-T480 HydrophobicContact CD1-CG2 4.14Å; I478-T480 HydrophobicContact CG2-CG2 3.91Å; T480-K482 PolarHBondContact O-N 3.34Å; T480-K482 PolarHBondContact OG1-N 2.79Å; T480-A483 PolarHBondContact N-O 2.9Å; T480-A483 PolarHBondContact OG1-N 3.37Å; T480-A483 PolarHBondContact OG1-O 3.49Å; T480-M524 WeakPolarHBondContact O-CE 3.43Å
481	E	97.5	Very high	98	Very high	21 Å²	21	38.8 Å²	38.8	10%	0.098	19%	0.191	C	C	.	.	S	Bend	trans	-70.1	-11.1	173.8	80.3	-70.5	175.9	0	0	113.1	V310 R313 I314 E451 H452	V310-E481 HydrophobicContact CG1-CB 3.74Å; V310-E481 HydrophobicContact CG1-CG 3.74Å; V310-E481 HydrophobicContact CG2-CG 4.5Å; R313-E481 WeakPolarHBondContact CD-O 3.31Å; R313-E481 PolarHBondContact NH1-O 3.28Å; I314-E481 HydrophobicContact CD1-CB 4.13Å; I314-E481 HydrophobicContact CG1-CB 3.95Å; E451-E481 WeakPolarHBondContact CA-OE2 3.4Å; H452-E481 VanDerWaalsContact CB-OE1 3.31Å; H452-E481 WeakPolarHBondContact CB-OE1 3.25Å; H452-E481 WeakPolarHBondContact CB-OE2 3.3Å; H452-E481 PolarHBondContact N-OE1 2.96Å; H452-E481 PolarHBondContact N-OE2 2.87Å
482	K	98.1	Very high	98	Very high	58 Å²	58	38.3 Å²	38.3	25%	0.252	19%	0.187	S	C	.	.	S	Bend	trans	-113.9	-36.2	-174.6	-60.9	-174.4	-176.8	-177.8	0	113.1	H452 T480 W499 L502 I507	H452-K482 HydrophobicContact CB-CD 4.08Å; H452-K482 HydrophobicContact CB-CG 4.27Å; T480-K482 PolarHBondContact O-N 3.34Å; T480-K482 PolarHBondContact OG1-N 2.79Å; K482-W499 PolarHBondContact O-N 2.66Å; K482-L502 HydrophobicContact CB-CD1 3.76Å; K482-L502 HydrophobicContact CD-CD1 4.25Å; K482-L502 HydrophobicContact CG-CD1 3.88Å; K482-I507 HydrophobicContact CB-CD1 3.72Å
483	A	98.5	Very high	98.1	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	158.2	-171.2	0	0	0	0	0	112.2	T480 F485 L495 E497 I507	T480-A483 PolarHBondContact N-O 2.9Å; T480-A483 PolarHBondContact OG1-N 3.37Å; T480-A483 PolarHBondContact OG1-O 3.49Å; A483-F485 HydrophobicContact CB-CD2 4.2Å; A483-F485 HydrophobicContact CB-CE2 3.58Å; A483-F485 HydrophobicContact CB-CZ 3.98Å; A483-L495 HydrophobicContact CB-CD1 3.49Å; A483-L495 VanDerWaalsContact CB-CD1 3.49Å; A483-E497 CarbonylContact C-O 3.55Å; A483-E497 VanDerWaalsContact CA-O 3.29Å; A483-E497 WeakPolarHBondContact CA-O 3.37Å; A483-I507 HydrophobicContact CB-CD1 4.03Å; A483-I507 HydrophobicContact CB-CG1 4.38Å; A483-I507 HydrophobicContact CB-CG2 4.15Å
484	V	98.9	Very high	98.2	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	128.2	163.4	-173.5	0	0	0	0	108.6	R317 R477 I478 I479 I496 E497 M524	R317-V484 HydrophobicContact CG-CG2 3.95Å; R477-V484 HydrophobicContact CG-CG1 3.87Å; I478-V484 VanDerWaalsContact O-CA 3.32Å; I478-V484 WeakPolarHBondContact O-CA 3.42Å; I479-V484 HydrophobicContact CG1-CG1 4.17Å; I479-V484 HydrophobicContact CG2-CG2 4.42Å; V484-I496 HydrophobicContact CB-CD1 4.37Å; V484-I496 HydrophobicContact CB-CG1 4.02Å; V484-I496 HydrophobicContact CG1-CD1 3.79Å; V484-I496 HydrophobicContact CG1-CG1 3.89Å; V484-I496 VanDerWaalsContact O-CG1 3.26Å; V484-I496 WeakPolarHBondContact O-CG1 3.41Å; V484-I496 PolarHBondContact O-N 3.14Å; V484-E497 HydrophobicContact CB-CB 3.88Å; V484-E497 HydrophobicContact CB-CG 4.32Å; V484-E497 HydrophobicContact CG2-CB 3.92Å; V484-E497 HydrophobicContact CG2-CG 4.44Å; V484-E497 PolarHBondContact N-O 3.26Å; V484-E497 PolarHBondContact O-N 3.43Å; V484-M524 HydrophobicContact CG2-CE 4.2Å; V484-M524 HydrophobicContact CG2-CG 4.43Å
485	F	98.9	Very high	98.2	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	133.9	174.7	-60	-91.7	0	0	0	110.4	H452 I461 R477 I478 A483 L493 T494 L495 I507 F515	H452-F485 AromaticContact CE1-CE2 3.82Å; I461-F485 HydrophobicContact CD1-CD2 4.1Å; I461-F485 HydrophobicContact CD1-CE2 3.77Å; R477-F485 CarbonylContact C-O 3.56Å; R477-F485 VanDerWaalsContact CA-O 3.26Å; R477-F485 WeakPolarHBondContact CA-O 3.45Å; R477-F485 WeakPolarHBondContact CG-O 3.19Å; I478-F485 HydrophobicContact CB-CB 4.37Å; I478-F485 HydrophobicContact CB-CD2 4.47Å; I478-F485 PolarHBondContact N-O 3.35Å; I478-F485 PolarHBondContact O-N 3.14Å; A483-F485 HydrophobicContact CB-CD2 4.2Å; A483-F485 HydrophobicContact CB-CE2 3.58Å; A483-F485 HydrophobicContact CB-CZ 3.98Å; F485-L493 HydrophobicContact CB-CD2 4.36Å; F485-L493 HydrophobicContact CD1-CB 4.2Å; F485-T494 CarbonylContact C-O 3.53Å; F485-T494 VanDerWaalsContact CA-O 3.23Å; F485-T494 WeakPolarHBondContact CA-O 3.27Å; F485-L495 HydrophobicContact CD1-CB 4.04Å; F485-L495 HydrophobicContact CD1-CD1 4.22Å; F485-L495 HydrophobicContact CE1-CB 3.89Å; F485-L495 HydrophobicContact CE1-CD1 3.86Å; F485-L495 HydrophobicContact CE1-CG 4.44Å; F485-L495 HydrophobicContact CZ-CD1 4.06Å; F485-I507 HydrophobicContact CE1-CG2 4.24Å; F485-I507 HydrophobicContact CE2-CG2 4.35Å; F485-I507 HydrophobicContact CZ-CG2 3.48Å; F485-I507 VanDerWaalsContact CZ-CG2 3.48Å; F485-F515 HydrophobicContact CD1-CB 4.38Å; F485-F515 HydrophobicContact CD1-CG 4.48Å; F485-F515 HydrophobicContact CE1-CB 4.08Å; F485-F515 AromaticContact CE1-CD1 3.87Å; F485-F515 HydrophobicContact CE1-CD1 3.87Å; F485-F515 HydrophobicContact CE1-CD2 4.04Å; F485-F515 HydrophobicContact CE1-CE1 4.26Å; F485-F515 HydrophobicContact CE1-CE2 4.44Å; F485-F515 AromaticContact CE1-CG 3.74Å; F485-F515 HydrophobicContact CE1-CG 3.74Å; F485-F515 HydrophobicContact CZ-CD1 4.4Å; F485-F515 HydrophobicContact CZ-CE1 4.48Å
486	D	98.8	Very high	98.2	Very high	55 Å²	55	31.7 Å²	31.7	29%	0.294	16%	0.159	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	146.1	157.4	-73.7	-17	0	0	0	109.1	R477 L493 T494 I496	R477-D486 IonicContact CZ-OD1 2.64Å; R477-D486 IonicContact NE-OD1 3.65Å; R477-D486 PolarHBondContact NE-OD1 3.39Å; R477-D486 IonicContact NH2-OD1 3.16Å; R477-D486 PolarHBondContact NH2-OD1 2.93Å; R477-D486 IonicContact NH2-OD2 2.92Å; R477-D486 PolarHBondContact NH2-OD2 2.96Å; D486-L493 WeakPolarHBondContact O-CA 3.22Å; D486-T494 PolarHBondContact N-O 3.46Å; D486-T494 PolarHBondContact O-N 2.69Å; D486-I496 HydrophobicContact CB-CG2 4.31Å; D486-I496 WeakPolarHBondContact OD1-CD1 3.35Å
487	V	98.7	Very high	98.2	Very high	11 Å²	11	30 Å²	30	7%	0.067	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	110.5	-174.7	-175.8	0	0	0	0	108.9	V475 D476 I478 L493	V475-V487 HydrophobicContact CG1-CG2 4.29Å; V475-V487 WeakPolarHBondContact O-CB 3.31Å; V475-V487 WeakPolarHBondContact O-CG1 3.46Å; D476-V487 PolarHBondContact O-N 2.82Å; I478-V487 HydrophobicContact CD1-CG2 3.93Å; I478-V487 HydrophobicContact CG1-CG2 3.87Å; V487-L493 HydrophobicContact CB-CD2 4.35Å; V487-L493 HydrophobicContact CG1-CD2 4.26Å; V487-L493 HydrophobicContact CG2-CD2 3.57Å
488	D	98.2	Very high	98.2	Very high	63 Å²	63	28.8 Å²	28.8	34%	0.337	15%	0.146	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	134.9	170.7	-176.9	-71.9	0	0	0	109.6	T490 K491 G492	D488-T490 PolarHBondContact O-N 2.79Å; D488-T490 VanDerWaalsContact O-N 3.08Å; D488-T490 WeakPolarHBondContact OD1-CA 3.43Å; D488-T490 WeakPolarHBondContact OD1-CB 3.18Å; D488-T490 PolarHBondContact OD1-N 2.91Å; D488-T490 PolarHBondContact OD1-OG1 3.47Å; D488-K491 HydrophobicContact CB-CB 3.97Å; D488-K491 HydrophobicContact CB-CG 4.49Å; D488-K491 PolarHBondContact OD1-N 2.62Å; D488-G492 PolarHBondContact N-O 3.37Å; D488-G492 VanDerWaalsContact O-CA 3.27Å; D488-G492 WeakPolarHBondContact O-CA 3.28Å; D488-G492 PolarHBondContact O-N 3.38Å
489	K	95.2	Very high	98.1	Very high	57 Å²	57	31.8 Å²	31.8	25%	0.248	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-16	-174.9	-44.4	-48.4	-176.2	-179.5	0	113.2	Q473 C474 V475 D476	Q473-K489 HydrophobicContact CB-CB 4.34Å; Q473-K489 HydrophobicContact CB-CD 4.1Å; Q473-K489 HydrophobicContact CB-CG 4.42Å; Q473-K489 WeakPolarHBondContact O-CD 3.25Å; Q473-K489 WeakPolarHBondContact O-CE 3.38Å; Q473-K489 PolarHBondContact O-NZ 2.9Å; Q473-K489 VanDerWaalsContact O-NZ 3.11Å; C474-K489 PolarHBondContact O-NZ 3.41Å; V475-K489 PolarHBondContact O-NZ 3.12Å; D476-K489 WeakPolarHBondContact OD1-CE 3.44Å; D476-K489 IonicContact OD1-NZ 3.5Å; D476-K489 PolarHBondContact OD1-NZ 3.16Å
490	T	95.6	Very high	98	Very high	109 Å²	109	39.5 Å²	39.5	67%	0.669	19%	0.193	S	C	*	.	T	Hydrogen-bonded Turn	trans	-115.2	-42.3	-176.8	66.9	0	0	0	0	113.3	Y416 D488	Y416-T490 VanDerWaalsContact CE1-O 3.23Å; Y416-T490 WeakPolarHBondContact CE1-O 3.32Å; D488-T490 PolarHBondContact O-N 2.79Å; D488-T490 VanDerWaalsContact O-N 3.08Å; D488-T490 WeakPolarHBondContact OD1-CA 3.43Å; D488-T490 WeakPolarHBondContact OD1-CB 3.18Å; D488-T490 PolarHBondContact OD1-N 2.91Å; D488-T490 PolarHBondContact OD1-OG1 3.47Å
491	K	97.1	Very high	97.7	Very high	142 Å²	142	43.1 Å²	43.1	62%	0.617	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.4	-29	-179.3	-57.2	174.8	-177	171	0	111.8	D488	D488-K491 HydrophobicContact CB-CB 3.97Å; D488-K491 HydrophobicContact CB-CG 4.49Å; D488-K491 PolarHBondContact OD1-N 2.62Å
492	G	98.2	Very high	97.7	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	92.9	-143.7	-178.2	0	0	0	0	0	112.5	K415 D488	K415-G492 CarbonylContact O-C 3.45Å; K415-G492 WeakPolarHBondContact O-CA 3.46Å; D488-G492 PolarHBondContact N-O 3.37Å; D488-G492 VanDerWaalsContact O-CA 3.27Å; D488-G492 WeakPolarHBondContact O-CA 3.28Å; D488-G492 PolarHBondContact O-N 3.38Å
493	L	98.8	Very high	97.7	Very high	2 Å²	2	45.6 Å²	45.6	1%	0.01	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	136.7	-171.4	-59.4	174.5	0	0	0	112.5	K415 I461 I478 F485 D486 V487 A513 F515 E516	K415-L493 HydrophobicContact CG-CG 4.44Å; K415-L493 WeakPolarHBondContact O-CG 3.25Å; K415-L493 PolarHBondContact O-N 2.88Å; I461-L493 HydrophobicContact CG2-CD1 3.5Å; I478-L493 HydrophobicContact CD1-CD2 3.85Å; F485-L493 HydrophobicContact CB-CD2 4.36Å; F485-L493 HydrophobicContact CD1-CB 4.2Å; D486-L493 WeakPolarHBondContact O-CA 3.22Å; V487-L493 HydrophobicContact CB-CD2 4.35Å; V487-L493 HydrophobicContact CG1-CD2 4.26Å; V487-L493 HydrophobicContact CG2-CD2 3.57Å; L493-A513 HydrophobicContact CD1-CB 3.93Å; L493-F515 HydrophobicContact CB-CB 3.57Å; L493-F515 CarbonylContact O-C 3.49Å; L493-F515 VanDerWaalsContact O-CA 3.3Å; L493-F515 WeakPolarHBondContact O-CA 3.46Å; L493-F515 WeakPolarHBondContact O-CB 3.35Å; L493-E516 PolarHBondContact O-N 2.85Å
494	T	98.8	Very high	97.7	Very high	33 Å²	33	47.5 Å²	47.5	20%	0.202	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	119.2	167.4	-55.5	0	0	0	0	109.9	F485 D486 I496 E516	F485-T494 CarbonylContact C-O 3.53Å; F485-T494 VanDerWaalsContact CA-O 3.23Å; F485-T494 WeakPolarHBondContact CA-O 3.27Å; D486-T494 PolarHBondContact N-O 3.46Å; D486-T494 PolarHBondContact O-N 2.69Å; T494-I496 HydrophobicContact CG2-CG2 4.16Å; T494-I496 PolarHBondContact O-N 3.14Å; T494-E516 CarbonylContact C-O 3.53Å; T494-E516 WeakPolarHBondContact CA-O 3.31Å
495	L	98.8	Very high	97.6	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	114.1	173.4	178.9	65.8	0	0	0	109.4	A483 F485 E497 P504 I507 F515 E516 V517 S518 L521	A483-L495 HydrophobicContact CB-CD1 3.49Å; A483-L495 VanDerWaalsContact CB-CD1 3.49Å; F485-L495 HydrophobicContact CD1-CB 4.04Å; F485-L495 HydrophobicContact CD1-CD1 4.22Å; F485-L495 HydrophobicContact CE1-CB 3.89Å; F485-L495 HydrophobicContact CE1-CD1 3.86Å; F485-L495 HydrophobicContact CE1-CG 4.44Å; F485-L495 HydrophobicContact CZ-CD1 4.06Å; L495-E497 WeakPolarHBondContact CD1-O 3.3Å; L495-P504 HydrophobicContact CD2-CB 4.29Å; L495-P504 HydrophobicContact CD2-CG 4.48Å; L495-I507 HydrophobicContact CD1-CG2 4.39Å; L495-I507 HydrophobicContact CD2-CG1 4.44Å; L495-F515 HydrophobicContact CB-CD2 3.81Å; L495-F515 HydrophobicContact CB-CE2 3.99Å; L495-F515 HydrophobicContact CD2-CE2 3.87Å; L495-E516 PolarHBondContact N-O 3.41Å; L495-V517 HydrophobicContact CD2-CG2 4.46Å; L495-S518 WeakPolarHBondContact O-CB 3.27Å; L495-S518 PolarHBondContact O-N 3.27Å; L495-L521 HydrophobicContact CD2-CD1 4.2Å; L495-L521 HydrophobicContact CG-CD1 3.83Å
496	I	98.7	Very high	97.5	Very high	25 Å²	25	56.3 Å²	56.3	13%	0.128	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	-27.3	-176.8	58.6	155.9	0	0	0	113.3	V484 D486 T494 R522	V484-I496 HydrophobicContact CB-CD1 4.37Å; V484-I496 HydrophobicContact CB-CG1 4.02Å; V484-I496 HydrophobicContact CG1-CD1 3.79Å; V484-I496 HydrophobicContact CG1-CG1 3.89Å; V484-I496 VanDerWaalsContact O-CG1 3.26Å; V484-I496 WeakPolarHBondContact O-CG1 3.41Å; V484-I496 PolarHBondContact O-N 3.14Å; D486-I496 HydrophobicContact CB-CG2 4.31Å; D486-I496 WeakPolarHBondContact OD1-CD1 3.35Å; T494-I496 HydrophobicContact CG2-CG2 4.16Å; T494-I496 PolarHBondContact O-N 3.14Å; I496-R522 PolarHBondContact O-N 3.43Å; I496-R522 VanDerWaalsContact O-N 3.15Å
497	E	98.6	Very high	97.5	Very high	12 Å²	12	53.7 Å²	53.7	6%	0.056	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	147.5	175.9	-59	176.3	-151.4	0	0	111.8	R317 A483 V484 L495 R522 M524 Q525	R317-E497 WeakPolarHBondContact CD-OE2 3.18Å; R317-E497 IonicContact CZ-OE1 3.82Å; R317-E497 IonicContact CZ-OE2 3.7Å; R317-E497 VanDerWaalsContact NE-CD 3.34Å; R317-E497 IonicContact NE-OE1 2.68Å; R317-E497 PolarHBondContact NE-OE1 3.13Å; R317-E497 IonicContact NE-OE2 3.17Å; R317-E497 PolarHBondContact NE-OE2 2.77Å; R317-E497 IonicContact NH2-OE1 2.75Å; R317-E497 PolarHBondContact NH2-OE1 2.81Å; R317-E497 IonicContact NH2-OE2 3.07Å; A483-E497 CarbonylContact C-O 3.55Å; A483-E497 VanDerWaalsContact CA-O 3.29Å; A483-E497 WeakPolarHBondContact CA-O 3.37Å; V484-E497 HydrophobicContact CB-CB 3.88Å; V484-E497 HydrophobicContact CB-CG 4.32Å; V484-E497 HydrophobicContact CG2-CB 3.92Å; V484-E497 HydrophobicContact CG2-CG 4.44Å; V484-E497 PolarHBondContact N-O 3.26Å; V484-E497 PolarHBondContact O-N 3.43Å; L495-E497 WeakPolarHBondContact CD1-O 3.3Å; E497-R522 VanDerWaalsContact CA-O 3.25Å; E497-R522 WeakPolarHBondContact CA-O 3.47Å; E497-M524 HydrophobicContact CB-CB 4.32Å; E497-M524 WeakPolarHBondContact OE2-CA 3.49Å; E497-Q525 PolarHBondContact OE2-N 3.21Å
498	I	98.4	Very high	97.4	Very high	16 Å²	16	58.6 Å²	58.6	8%	0.082	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	139	179.3	-167.9	166.6	0	0	0	111.5	L502 N503 I507 L521 R522 P523 M524	I498-L502 VanDerWaalsContact CD1-C 3.5Å; I498-L502 HydrophobicContact CD1-CB 3.85Å; I498-L502 WeakPolarHBondContact CD1-O 3.45Å; I498-L502 HydrophobicContact CG1-CB 3.86Å; I498-N503 VanDerWaalsContact CD1-O 3.3Å; I498-N503 WeakPolarHBondContact CD1-O 3.49Å; I498-I507 HydrophobicContact CD1-CD1 4.14Å; I498-I507 HydrophobicContact CD1-CG1 3.51Å; I498-I507 HydrophobicContact CG1-CD1 4.2Å; I498-I507 HydrophobicContact CG1-CG1 4.01Å; I498-L521 HydrophobicContact CB-CD1 4.47Å; I498-L521 HydrophobicContact CG2-CD1 4.37Å; I498-L521 HydrophobicContact CG2-CD2 4.27Å; I498-L521 HydrophobicContact CG2-CG 4.38Å; I498-R522 PolarHBondContact N-O 3.36Å; I498-P523 CarbonylContact O-C 3.52Å; I498-P523 WeakPolarHBondContact O-CA 3.48Å; I498-M524 WeakPolarHBondContact O-CB 3.23Å; I498-M524 PolarHBondContact O-N 2.91Å
499	W	97.9	Very high	97.4	Very high	64 Å²	64	59.5 Å²	59.5	24%	0.242	33%	0.325	C	S	.	.			trans	-65.3	144	178	178.6	-98.9	0	0	0	111.9	R313 K482 G501 L502 M524 Q526	R313-W499 HydrophobicContact CG-CD2 4.41Å; R313-W499 HydrophobicContact CG-CE3 3.74Å; R313-W499 HydrophobicContact CG-CH2 4.31Å; R313-W499 HydrophobicContact CG-CZ3 3.67Å; R313-W499 VanDerWaalsContact CZ-NE1 3.3Å; R313-W499 VanDerWaalsContact NE-CD2 3.28Å; R313-W499 VanDerWaalsContact NE-CE2 3.32Å; K482-W499 PolarHBondContact O-N 2.66Å; W499-G501 PolarHBondContact O-N 2.93Å; W499-L502 HydrophobicContact CB-CD1 4.24Å; W499-L502 WeakPolarHBondContact O-CB 3.17Å; W499-L502 PolarHBondContact O-N 2.77Å; W499-L502 VanDerWaalsContact O-N 3.11Å; W499-M524 HydrophobicContact CB-CE 4.28Å; W499-M524 HydrophobicContact CE3-CB 4.3Å; W499-M524 HydrophobicContact CE3-SD 4Å; W499-Q526 HydrophobicContact CZ3-CG 4Å
500	E	94.9	Very high	97.4	Very high	161 Å²	161	57.6 Å²	57.6	75%	0.752	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.9	132.9	179.9	-173.6	179.1	-169.7	0	0	112.3	L502	E500-L502 VanDerWaalsContact C-N 3.34Å
501	G	94.1	Very high	97.5	Very high	77 Å²	77	52.9 Å²	52.9	79%	0.794	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	86.4	-2.8	-178	0	0	0	0	0	115	W499	W499-G501 PolarHBondContact O-N 2.93Å
502	L	97.4	Very high	97.6	Very high	58 Å²	58	47.4 Å²	47.4	30%	0.304	27%	0.274	S	S	.	.			trans	-104.8	154.4	169.8	-58.7	178.6	0	0	0	111	K482 I498 W499 E500 D506 I507	K482-L502 HydrophobicContact CB-CD1 3.76Å; K482-L502 HydrophobicContact CD-CD1 4.25Å; K482-L502 HydrophobicContact CG-CD1 3.88Å; I498-L502 VanDerWaalsContact CD1-C 3.5Å; I498-L502 HydrophobicContact CD1-CB 3.85Å; I498-L502 WeakPolarHBondContact CD1-O 3.45Å; I498-L502 HydrophobicContact CG1-CB 3.86Å; W499-L502 HydrophobicContact CB-CD1 4.24Å; W499-L502 WeakPolarHBondContact O-CB 3.17Å; W499-L502 PolarHBondContact O-N 2.77Å; W499-L502 VanDerWaalsContact O-N 3.11Å; E500-L502 VanDerWaalsContact C-N 3.34Å; L502-D506 WeakPolarHBondContact CA-OD2 3.31Å; L502-D506 HydrophobicContact CD2-CB 4.26Å; L502-I507 HydrophobicContact CD1-CD1 4.04Å
503	N	97.2	Very high	97.5	Very high	72 Å²	72	47.8 Å²	47.8	39%	0.385	28%	0.277	S	S	.	.			trans	-121.5	167	172.3	70.3	64.6	0	0	0	111.3	I498 E505 D506 I507	I498-N503 VanDerWaalsContact CD1-O 3.3Å; I498-N503 WeakPolarHBondContact CD1-O 3.49Å; N503-E505 PolarHBondContact O-N 2.91Å; N503-E505 WeakPolarHBondContact OD1-CA 3.4Å; N503-E505 VanDerWaalsContact OD1-CB 3.31Å; N503-E505 WeakPolarHBondContact OD1-CB 3.49Å; N503-E505 PolarHBondContact OD1-N 3.2Å; N503-D506 VanDerWaalsContact CG-OD2 3.25Å; N503-D506 PolarHBondContact N-OD2 2.87Å; N503-D506 PolarHBondContact ND2-OD2 2.9Å; N503-D506 WeakPolarHBondContact O-CB 3.15Å; N503-D506 PolarHBondContact O-N 2.97Å; N503-D506 PolarHBondContact OD1-N 2.78Å; N503-I507 PolarHBondContact O-N 3.08Å
504	P	97.7	Very high	97.5	Very high	41 Å²	41	53 Å²	53	27%	0.266	31%	0.305	S	S	.	.	H	α-helix	trans	-56.5	-30.8	-178.4	-29.1	37.1	0	0	0	115.6	L495 I507 K508 V517 L521	L495-P504 HydrophobicContact CD2-CB 4.29Å; L495-P504 HydrophobicContact CD2-CG 4.48Å; P504-I507 PolarHBondContact O-N 3.44Å; P504-K508 WeakPolarHBondContact O-CB 3.46Å; P504-K508 PolarHBondContact O-N 2.85Å; P504-V517 HydrophobicContact CB-CG2 4Å; P504-V517 HydrophobicContact CG-CG1 4.33Å; P504-V517 HydrophobicContact CG-CG2 4.47Å; P504-L521 HydrophobicContact CG-CD2 3.88Å
505	E	97.6	Very high	97.5	Very high	121 Å²	121	53 Å²	53	57%	0.565	30%	0.303	S	S	*	.	H	α-helix	trans	-70.5	-34.2	177.2	-63.7	-60.7	153.6	0	0	111.8	N503 I507 K508 A509	N503-E505 PolarHBondContact O-N 2.91Å; N503-E505 WeakPolarHBondContact OD1-CA 3.4Å; N503-E505 VanDerWaalsContact OD1-CB 3.31Å; N503-E505 WeakPolarHBondContact OD1-CB 3.49Å; N503-E505 PolarHBondContact OD1-N 3.2Å; E505-I507 VanDerWaalsContact C-N 3.29Å; E505-I507 PolarHBondContact O-N 3.47Å; E505-K508 WeakPolarHBondContact O-CB 3.22Å; E505-K508 PolarHBondContact O-N 2.91Å; E505-K508 WeakPolarHBondContact OE2-CD 3.4Å; E505-K508 IonicContact OE2-NZ 3.96Å; E505-A509 PolarHBondContact O-N 3.39Å
506	D	97.3	Very high	97.4	Very high	64 Å²	64	58.7 Å²	58.7	34%	0.342	33%	0.329	S	S	.	.	H	α-helix	trans	-61.8	-41.4	173.4	-57.1	-41.3	0	0	0	111	L502 N503 A509 C510	L502-D506 WeakPolarHBondContact CA-OD2 3.31Å; L502-D506 HydrophobicContact CD2-CB 4.26Å; N503-D506 VanDerWaalsContact CG-OD2 3.25Å; N503-D506 PolarHBondContact N-OD2 2.87Å; N503-D506 PolarHBondContact ND2-OD2 2.9Å; N503-D506 WeakPolarHBondContact O-CB 3.15Å; N503-D506 PolarHBondContact O-N 2.97Å; N503-D506 PolarHBondContact OD1-N 2.78Å; D506-A509 PolarHBondContact O-N 3.26Å; D506-C510 PolarHBondContact O-N 3.2Å; D506-C510 PolarHBondContact O-SG 2.89Å; D506-C510 VanDerWaalsContact O-SG 3.37Å
507	I	98.1	Very high	97.4	Very high	0 Å²	0	60.9 Å²	60.9	0%	0	34%	0.344	C	S	.	.	H	α-helix	trans	-67.1	-41.5	177.7	-57.8	-54.1	0	0	0	110.6	K482 A483 F485 L495 I498 L502 N503 P504 E505 A509 C510 T511 F515	K482-I507 HydrophobicContact CB-CD1 3.72Å; A483-I507 HydrophobicContact CB-CD1 4.03Å; A483-I507 HydrophobicContact CB-CG1 4.38Å; A483-I507 HydrophobicContact CB-CG2 4.15Å; F485-I507 HydrophobicContact CE1-CG2 4.24Å; F485-I507 HydrophobicContact CE2-CG2 4.35Å; F485-I507 HydrophobicContact CZ-CG2 3.48Å; F485-I507 VanDerWaalsContact CZ-CG2 3.48Å; L495-I507 HydrophobicContact CD1-CG2 4.39Å; L495-I507 HydrophobicContact CD2-CG1 4.44Å; I498-I507 HydrophobicContact CD1-CD1 4.14Å; I498-I507 HydrophobicContact CD1-CG1 3.51Å; I498-I507 HydrophobicContact CG1-CD1 4.2Å; I498-I507 HydrophobicContact CG1-CG1 4.01Å; L502-I507 HydrophobicContact CD1-CD1 4.04Å; N503-I507 PolarHBondContact O-N 3.08Å; P504-I507 PolarHBondContact O-N 3.44Å; E505-I507 VanDerWaalsContact C-N 3.29Å; E505-I507 PolarHBondContact O-N 3.47Å; I507-A509 VanDerWaalsContact C-N 3.31Å; I507-A509 PolarHBondContact O-N 3.04Å; I507-C510 PolarHBondContact O-N 3.49Å; I507-T511 VanDerWaalsContact O-CB 3.27Å; I507-T511 WeakPolarHBondContact O-CB 3.43Å; I507-T511 PolarHBondContact O-N 3.18Å; I507-T511 PolarHBondContact O-OG1 2.83Å; I507-F515 HydrophobicContact CB-CZ 4.03Å; I507-F515 HydrophobicContact CG2-CE1 3.96Å; I507-F515 HydrophobicContact CG2-CZ 3.72Å
508	K	97.5	Very high	97.4	Very high	114 Å²	114	61.8 Å²	61.8	50%	0.496	35%	0.351	S	S	.	.	H	α-helix	trans	-60.9	-40.3	175.8	-167.6	179.5	-179.8	-177.9	0	111.8	P504 E505 C510 T511 F515	P504-K508 WeakPolarHBondContact O-CB 3.46Å; P504-K508 PolarHBondContact O-N 2.85Å; E505-K508 WeakPolarHBondContact O-CB 3.22Å; E505-K508 PolarHBondContact O-N 2.91Å; E505-K508 WeakPolarHBondContact OE2-CD 3.4Å; E505-K508 IonicContact OE2-NZ 3.96Å; K508-C510 VanDerWaalsContact C-N 3.26Å; K508-C510 PolarHBondContact O-N 2.85Å; K508-T511 PolarHBondContact O-N 2.68Å; K508-F515 HydrophobicContact CB-CE1 4.18Å; K508-F515 HydrophobicContact CB-CZ 3.97Å
509	A	96.5	Very high	97.3	Very high	81 Å²	81	66.6 Å²	66.6	67%	0.669	39%	0.386	S	S	*	.	H	α-helix	trans	-64.4	-27.6	177.6	0	0	0	0	0	113.5	E505 D506 I507	E505-A509 PolarHBondContact O-N 3.39Å; D506-A509 PolarHBondContact O-N 3.26Å; I507-A509 VanDerWaalsContact C-N 3.31Å; I507-A509 PolarHBondContact O-N 3.04Å
510	C	96.4	Very high	97.3	Very high	18 Å²	18	68.8 Å²	68.8	12%	0.122	40%	0.402	C	S	.	.	H	α-helix	trans	-106.4	3.7	179.4	65.7	0	0	0	0	115.5	H452 H459 D506 I507 K508	H452-C510 PolarHBondContact CD2-SG 3.32Å; H452-C510 PolarHBondContact NE2-SG 2.93Å; H459-C510 VanDerWaalsContact ND1-C 3.28Å; H459-C510 PolarHBondContact ND1-O 3.07Å; D506-C510 PolarHBondContact O-N 3.2Å; D506-C510 PolarHBondContact O-SG 2.89Å; D506-C510 VanDerWaalsContact O-SG 3.37Å; I507-C510 PolarHBondContact O-N 3.49Å; K508-C510 VanDerWaalsContact C-N 3.26Å; K508-C510 PolarHBondContact O-N 2.85Å
511	T	98.2	Very high	97.4	Very high	9 Å²	9	63.7 Å²	63.7	6%	0.055	38%	0.38	C	S	.	.			trans	-109.4	124.9	177.8	-55.8	0	0	0	0	110.3	H452 I461 I507 K508 A513 F515	H452-T511 PolarHBondContact NE2-OG1 2.92Å; H452-T511 VanDerWaalsContact NE2-OG1 3.07Å; I461-T511 HydrophobicContact CB-CG2 4.02Å; I461-T511 HydrophobicContact CG2-CG2 3.75Å; I507-T511 VanDerWaalsContact O-CB 3.27Å; I507-T511 WeakPolarHBondContact O-CB 3.43Å; I507-T511 PolarHBondContact O-N 3.18Å; I507-T511 PolarHBondContact O-OG1 2.83Å; K508-T511 PolarHBondContact O-N 2.68Å; T511-A513 HydrophobicContact CG2-CB 4.25Å; T511-A513 PolarHBondContact O-N 3.18Å; T511-F515 HydrophobicContact CG2-CD1 4Å; T511-F515 HydrophobicContact CG2-CE1 4.18Å
512	G	97.6	Very high	97.6	Very high	28 Å²	28	66.8 Å²	66.8	29%	0.289	37%	0.368	S	S	.	.	B	Isolated β-bridge	trans	-85.3	23.4	-179.4	0	0	0	0	0	114.5	I461 M462 E463	I461-G512 WeakPolarHBondContact O-CA 3.43Å; I461-G512 PolarHBondContact O-N 3.36Å; M462-G512 CarbonylContact C-O 3.58Å; M462-G512 WeakPolarHBondContact CA-O 3.26Å; E463-G512 PolarHBondContact N-O 3.31Å
513	A	97.6	Very high	97.6	Very high	8 Å²	8	68.9 Å²	68.9	7%	0.066	39%	0.385	C	S	.	.	S	Bend	trans	-143.9	149.6	-176.9	0	0	0	0	0	109.8	K415 L493 T511	K415-A513 HydrophobicContact CB-CB 4.24Å; L493-A513 HydrophobicContact CD1-CB 3.93Å; T511-A513 HydrophobicContact CG2-CB 4.25Å; T511-A513 PolarHBondContact O-N 3.18Å
514	N	97.4	Very high	97.6	Very high	110 Å²	110	66.1 Å²	66.1	59%	0.588	37%	0.37	S	S	*	.			trans	-73.5	141.8	169.8	-70	-35.8	0	0	0	110.4
515	F	98.6	Very high	97.6	Very high	35 Å²	35	68.2 Å²	68.2	15%	0.154	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140	153.4	175.1	59.1	-97.7	0	0	0	110.7	F485 L493 L495 I507 K508 T511 V517	F485-F515 HydrophobicContact CD1-CB 4.38Å; F485-F515 HydrophobicContact CD1-CG 4.48Å; F485-F515 HydrophobicContact CE1-CB 4.08Å; F485-F515 AromaticContact CE1-CD1 3.87Å; F485-F515 HydrophobicContact CE1-CD1 3.87Å; F485-F515 HydrophobicContact CE1-CD2 4.04Å; F485-F515 HydrophobicContact CE1-CE1 4.26Å; F485-F515 HydrophobicContact CE1-CE2 4.44Å; F485-F515 AromaticContact CE1-CG 3.74Å; F485-F515 HydrophobicContact CE1-CG 3.74Å; F485-F515 HydrophobicContact CZ-CD1 4.4Å; F485-F515 HydrophobicContact CZ-CE1 4.48Å; L493-F515 HydrophobicContact CB-CB 3.57Å; L493-F515 CarbonylContact O-C 3.49Å; L493-F515 VanDerWaalsContact O-CA 3.3Å; L493-F515 WeakPolarHBondContact O-CA 3.46Å; L493-F515 WeakPolarHBondContact O-CB 3.35Å; L495-F515 HydrophobicContact CB-CD2 3.81Å; L495-F515 HydrophobicContact CB-CE2 3.99Å; L495-F515 HydrophobicContact CD2-CE2 3.87Å; I507-F515 HydrophobicContact CB-CZ 4.03Å; I507-F515 HydrophobicContact CG2-CE1 3.96Å; I507-F515 HydrophobicContact CG2-CZ 3.72Å; K508-F515 HydrophobicContact CB-CE1 4.18Å; K508-F515 HydrophobicContact CB-CZ 3.97Å; T511-F515 HydrophobicContact CG2-CD1 4Å; T511-F515 HydrophobicContact CG2-CE1 4.18Å; F515-V517 HydrophobicContact CD2-CG2 4.36Å; F515-V517 HydrophobicContact CE2-CG2 4.05Å
516	E	98.4	Very high	97.5	Very high	119 Å²	119	65.4 Å²	65.4	56%	0.556	36%	0.363	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.4	149.5	169.2	-65.9	-176.6	173.3	0	0	110.2	L493 T494 L495	L493-E516 PolarHBondContact O-N 2.85Å; T494-E516 CarbonylContact C-O 3.53Å; T494-E516 WeakPolarHBondContact CA-O 3.31Å; L495-E516 PolarHBondContact N-O 3.41Å
517	V	98.4	Very high	97.2	Very high	71 Å²	71	65.6 Å²	65.6	43%	0.43	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	124.3	171.8	-177.9	0	0	0	0	108.1	L495 P504 F515 S519 L521	L495-V517 HydrophobicContact CD2-CG2 4.46Å; P504-V517 HydrophobicContact CB-CG2 4Å; P504-V517 HydrophobicContact CG-CG1 4.33Å; P504-V517 HydrophobicContact CG-CG2 4.47Å; F515-V517 HydrophobicContact CD2-CG2 4.36Å; F515-V517 HydrophobicContact CE2-CG2 4.05Å; V517-S519 PolarHBondContact O-N 2.97Å; V517-L521 HydrophobicContact CG1-CB 4.27Å; V517-L521 HydrophobicContact CG1-CD2 3.86Å; V517-L521 HydrophobicContact CG1-CG 4.49Å
518	S	98.1	Very high	97.1	Very high	30 Å²	30	68.9 Å²	68.9	21%	0.21	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.1	135.5	176.8	179.6	0	0	0	0	110.7	L495 N520 L521	L495-S518 WeakPolarHBondContact O-CB 3.27Å; L495-S518 PolarHBondContact O-N 3.27Å; S518-N520 PolarHBondContact O-N 3.2Å; S518-N520 VanDerWaalsContact O-N 3.14Å; S518-N520 PolarHBondContact OG-N 3.44Å; S518-N520 VanDerWaalsContact OG-N 3.14Å; S518-L521 WeakPolarHBondContact O-CB 3.48Å; S518-L521 PolarHBondContact O-N 3Å
519	S	97.2	Very high	97.1	Very high	118 Å²	118	66.5 Å²	66.5	83%	0.825	38%	0.375	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-60.7	-19.9	170	55.2	0	0	0	0	112.6	V517	V517-S519 PolarHBondContact O-N 2.97Å
520	N	96.6	Very high	97.1	Very high	109 Å²	109	65.7 Å²	65.7	58%	0.583	36%	0.359	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-109.3	34.8	175.7	-64.4	-43.8	0	0	0	111.5	S518 R522	S518-N520 PolarHBondContact O-N 3.2Å; S518-N520 VanDerWaalsContact O-N 3.14Å; S518-N520 PolarHBondContact OG-N 3.44Å; S518-N520 VanDerWaalsContact OG-N 3.14Å; N520-R522 WeakPolarHBondContact O-CG 3.32Å; N520-R522 PolarHBondContact O-N 2.7Å
521	L	97.8	Very high	97.2	Very high	54 Å²	54	68.5 Å²	68.5	28%	0.283	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-53.8	131.3	175.3	-179.6	66.3	0	0	0	110.6	L495 I498 P504 V517 S518	L495-L521 HydrophobicContact CD2-CD1 4.2Å; L495-L521 HydrophobicContact CG-CD1 3.83Å; I498-L521 HydrophobicContact CB-CD1 4.47Å; I498-L521 HydrophobicContact CG2-CD1 4.37Å; I498-L521 HydrophobicContact CG2-CD2 4.27Å; I498-L521 HydrophobicContact CG2-CG 4.38Å; P504-L521 HydrophobicContact CG-CD2 3.88Å; V517-L521 HydrophobicContact CG1-CB 4.27Å; V517-L521 HydrophobicContact CG1-CD2 3.86Å; V517-L521 HydrophobicContact CG1-CG 4.49Å; S518-L521 WeakPolarHBondContact O-CB 3.48Å; S518-L521 PolarHBondContact O-N 3Å
522	R	97.1	Very high	97.1	Very high	143 Å²	143	72.2 Å²	72.2	54%	0.54	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	158.9	-178.8	-68.9	168.3	-165.6	-172.1	2.3	111.8	I496 E497 I498 N520	I496-R522 PolarHBondContact O-N 3.43Å; I496-R522 VanDerWaalsContact O-N 3.15Å; E497-R522 VanDerWaalsContact CA-O 3.25Å; E497-R522 WeakPolarHBondContact CA-O 3.47Å; I498-R522 PolarHBondContact N-O 3.36Å; N520-R522 WeakPolarHBondContact O-CG 3.32Å; N520-R522 PolarHBondContact O-N 2.7Å
523	P	97.8	Very high	97.1	Very high	101 Å²	101	75.1 Å²	75.1	66%	0.656	40%	0.4	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-55.7	142.3	160.2	-22.1	33.9	0	0	0	110.7	I498 Q525	I498-P523 CarbonylContact O-C 3.52Å; I498-P523 WeakPolarHBondContact O-CA 3.48Å; P523-Q525 PolarHBondContact O-N 2.83Å
524	M	98	Very high	97	Very high	14 Å²	14	79.9 Å²	79.9	7%	0.069	42%	0.423	C	S	.	.	P	Polyproline II helix	trans	-61.8	124	178.6	-177.5	-174.9	-69.8	0	0	110.8	R313 R317 T480 V484 E497 I498 W499	R313-M524 HydrophobicContact CG-SD 4.14Å; R317-M524 HydrophobicContact CB-SD 4.49Å; R317-M524 HydrophobicContact CG-CG 4.17Å; T480-M524 WeakPolarHBondContact O-CE 3.43Å; V484-M524 HydrophobicContact CG2-CE 4.2Å; V484-M524 HydrophobicContact CG2-CG 4.43Å; E497-M524 HydrophobicContact CB-CB 4.32Å; E497-M524 WeakPolarHBondContact OE2-CA 3.49Å; I498-M524 WeakPolarHBondContact O-CB 3.23Å; I498-M524 PolarHBondContact O-N 2.91Å; W499-M524 HydrophobicContact CB-CE 4.28Å; W499-M524 HydrophobicContact CE3-CB 4.3Å; W499-M524 HydrophobicContact CE3-SD 4Å
525	Q	96.7	Very high	97	Very high	86 Å²	86	77.6 Å²	77.6	40%	0.402	41%	0.411	S	S	.	.	P	Polyproline II helix	trans	-73.9	153	-178.1	-60.1	-177.3	18.4	0	0	111.2	R317 L320 E497 P523	R317-Q525 WeakPolarHBondContact CD-O 3.26Å; L320-Q525 HydrophobicContact CD1-CB 3.38Å; E497-Q525 PolarHBondContact OE2-N 3.21Å; P523-Q525 PolarHBondContact O-N 2.83Å
526	Q	95.8	Very high	96.9	Very high	61 Å²	61	81.2 Å²	81.2	29%	0.285	43%	0.432	S	S	.	.			trans	-138.9	138.6	173	-62.9	-70.8	-67.7	0	0	107.4	R313 R316 W499	R313-Q526 PolarHBondContact O-NE2 3.38Å; R313-Q526 VanDerWaalsContact O-NE2 3.12Å; R313-Q526 PolarHBondContact O-OE1 3.37Å; R316-Q526 VanDerWaalsContact CB-OE1 3.24Å; W499-Q526 HydrophobicContact CZ3-CG 4Å
527	I	90.8	Very high	96.7	Very high	68 Å²	68	77.7 Å²	77.7	35%	0.349	42%	0.421	S	S	.	.			trans	-69.8	0	172.5	-168.8	158	0	0	0	112.7	R316 A319 L320 F341 K343	R316-I527 HydrophobicContact CB-CG2 4.03Å; R316-I527 HydrophobicContact CG-CG2 4.25Å; R316-I527 PolarHBondContact NE-O 3.4Å; R316-I527 PolarHBondContact NH2-O 3.03Å; A319-I527 HydrophobicContact CB-CG2 4.37Å; L320-I527 HydrophobicContact CD2-CB 3.92Å; L320-I527 HydrophobicContact CD2-CD1 4.33Å; L320-I527 HydrophobicContact CD2-CG1 4.31Å; L320-I527 HydrophobicContact CG-CB 4.38Å; F341-I527 HydrophobicContact CB-CG2 4.04Å; F341-I527 HydrophobicContact CD1-CG2 4.19Å; F341-I527 HydrophobicContact CG-CG2 4.39Å; F341-I527 WeakPolarHBondContact O-CD1 3.45Å; K343-I527 HydrophobicContact CD-CD1 4.35Å; K343-I527 HydrophobicContact CG-CD1 3.59Å

Retrieved 527 of 527 residues in 372.5 ms (Link to these results)

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