A0A068F9P7_DANRE Loading...

Beta-3-glucosyltransferase a

AlphaFold DB , UniProt , Accession A0A068F9P7, Species DANRE (Danio rerio, Zebrafish), Gene b3glcta, Length 496 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	25.5	Very low	24.5	Very low	248 Å²	248	154.4 Å²	154.4	100%	1.222	84%	0.836	S	S	*	*				0	101.2	0	-88.6	175.9	-176.9	0	0	107.1
2	L	22.5	Very low	24.6	Very low	176 Å²	176	153.1 Å²	153.1	92%	0.921	84%	0.837	S	S	*	*			trans	-82.2	156.1	-174.3	-80.2	122.9	0	0	0	111.8
3	S	22.2	Very low	24.9	Very low	92 Å²	92	149.8 Å²	149.8	64%	0.643	82%	0.824	S	S	*	*			trans	80.4	88.3	154.9	-145.5	0	0	0	0	117	K5	S3-K5 PolarHBondContact O-N 3.42Å; S3-K5 VanDerWaalsContact O-N 3.16Å
4	I	23.8	Very low	24.9	Very low	170 Å²	170	150.7 Å²	150.7	87%	0.872	82%	0.82	S	S	*	*			trans	-76	88.5	146.9	-62.9	174.9	0	0	0	105.6	C6	I4-C6 PolarHBondContact O-N 2.92Å
5	K	23.8	Very low	25.2	Very low	157 Å²	157	155.5 Å²	155.5	68%	0.683	82%	0.823	S	S	*	*			trans	-67.3	114.3	161.6	-87.3	-179.1	176.8	178.9	0	107.6	S3 Q7	S3-K5 PolarHBondContact O-N 3.42Å; S3-K5 VanDerWaalsContact O-N 3.16Å; K5-Q7 PolarHBondContact O-N 2.89Å; K5-Q7 VanDerWaalsContact O-N 3.12Å
6	C	21.8	Very low	25.1	Very low	126 Å²	126	155.6 Å²	155.6	85%	0.851	82%	0.815	S	S	*	*			trans	-55.5	111.2	153.9	-77	0	0	0	0	108.3	I4	I4-C6 PolarHBondContact O-N 2.92Å
7	Q	25.1	Very low	25.4	Very low	161 Å²	161	159 Å²	159	75%	0.752	82%	0.822	S	S	*	*			trans	-127.8	93.4	165.8	-86.5	-170.9	-28	0	0	108.7	K5	K5-Q7 PolarHBondContact O-N 2.89Å; K5-Q7 VanDerWaalsContact O-N 3.12Å
8	N	29.2	Very low	25.3	Very low	163 Å²	163	157.3 Å²	157.3	87%	0.872	81%	0.814	S	S	*	*			trans	-126.8	105.6	137.6	-78.6	-24.1	0	0	0	102.5
9	G	23.8	Very low	25.5	Very low	70 Å²	70	161.8 Å²	161.8	72%	0.722	82%	0.819	S	S	*	*				97.1	48.1	51.3	0	0	0	0	0	109.9
10	Y	27.1	Very low	25.7	Very low	223 Å²	223	158.6 Å²	158.6	88%	0.875	81%	0.812	S	S	*	*			trans	-131.8	125.9	163.8	-76.5	-75.4	0	0	0	110.8
11	S	24.5	Very low	25.7	Very low	112 Å²	112	159.4 Å²	159.4	78%	0.783	82%	0.817	S	S	*	*			trans	-54.6	126.3	-175.7	168	0	0	0	0	113.3
12	V	26	Very low	25.9	Very low	139 Å²	139	154.1 Å²	154.1	84%	0.842	80%	0.799	S	S	*	*			trans	-106.7	112	163.1	-179.6	0	0	0	0	108.9
13	T	27.9	Very low	26.2	Very low	110 Å²	110	149.6 Å²	149.6	68%	0.675	79%	0.787	S	S	*	*			trans	-67.5	127.1	170.2	-37.2	0	0	0	0	109.3	Y15	T13-Y15 PolarHBondContact O-N 3.47Å
14	Q	25.7	Very low	26.5	Very low	163 Å²	163	155.4 Å²	155.4	76%	0.762	80%	0.801	S	S	*	*			trans	-59.6	127.9	171.8	-79.3	172.2	-47.7	0	0	111.2
15	Y	28.8	Very low	26.9	Very low	223 Å²	223	154.5 Å²	154.5	88%	0.875	80%	0.796	S	S	*	*			trans	-133.9	120.4	145.7	-88.6	-79	0	0	0	109.8	T13	T13-Y15 PolarHBondContact O-N 3.47Å
16	F	24.7	Very low	26.9	Very low	157 Å²	157	153.5 Å²	153.5	69%	0.689	80%	0.804	S	S	*	*			trans	-60.7	137.7	169.5	-87.9	-103.7	0	0	0	111.2	L18	F16-L18 HydrophobicContact CD1-CD1 4.22Å
17	F	29	Very low	27.3	Very low	213 Å²	213	152.3 Å²	152.3	93%	0.934	80%	0.803	S	S	*	*			trans	-148.5	124.5	137.4	-105.3	-79.4	0	0	0	110.1
18	L	23.6	Very low	27.3	Very low	129 Å²	129	154.7 Å²	154.7	68%	0.675	81%	0.81	S	S	*	*			trans	-77.8	168.9	172.5	-98.8	94.2	0	0	0	111.5	F16	F16-L18 HydrophobicContact CD1-CD1 4.22Å
19	W	29.8	Very low	27.1	Very low	243 Å²	243	149.9 Å²	149.9	92%	0.92	80%	0.8	S	S	*	*			trans	104.9	125	166.9	-69.3	68.6	0	0	0	112.7
20	S	29.9	Very low	27.3	Very low	97 Å²	97	154 Å²	154	68%	0.678	81%	0.805	S	S	*	*			cis	-160.3	155.7	16.6	57	0	0	0	0	111.3
21	L	24.3	Very low	27.3	Very low	175 Å²	175	152.1 Å²	152.1	92%	0.916	80%	0.804	S	S	*	*			trans	-66.3	135	169.5	-74.7	107.5	0	0	0	111.5
22	V	31.1	Very low	27.5	Very low	138 Å²	138	153.9 Å²	153.9	84%	0.836	81%	0.81	S	S	*	*			trans	-137.9	139.4	150.3	-178.3	0	0	0	0	109.4
23	A	29	Very low	27.6	Very low	81 Å²	81	156.3 Å²	156.3	67%	0.669	81%	0.812	S	S	*	*			trans	-70.2	143.3	-160.6	0	0	0	0	0	115.6	I25	A23-I25 PolarHBondContact O-N 3.34Å
24	F	28.1	Very low	27.7	Very low	214 Å²	214	157.9 Å²	157.9	94%	0.939	82%	0.816	S	S	*	*			trans	-73.9	107.6	158.9	-91.3	-90.6	0	0	0	109.4
25	I	30.7	Very low	27.8	Very low	151 Å²	151	156 Å²	156	77%	0.774	82%	0.819	S	S	*	*			trans	-92.8	122.8	160.9	-66.1	175.9	0	0	0	107.3	A23	A23-I25 PolarHBondContact O-N 3.34Å
26	T	24.7	Very low	27.9	Very low	136 Å²	136	149.5 Å²	149.5	83%	0.834	81%	0.811	S	S	*	*			trans	-63.8	125	170	48	0	0	0	0	110.7
27	A	30.7	Very low	28	Very low	101 Å²	101	151.3 Å²	151.3	84%	0.835	82%	0.819	S	S	*	*			trans	-119	123.5	163.7	0	0	0	0	0	109.8
28	K	25.3	Very low	28.3	Very low	210 Å²	210	147.6 Å²	147.6	91%	0.913	81%	0.813	S	S	*	*			trans	-75.6	147.1	169.3	-84.1	175	167.6	178.1	0	109.9
29	G	24.5	Very low	28.5	Very low	63 Å²	63	149.8 Å²	149.8	65%	0.649	82%	0.82	S	S	*	*			trans	64.5	113.8	145.4	0	0	0	0	0	117
30	D	27.2	Very low	28.6	Very low	157 Å²	157	141 Å²	141	84%	0.84	81%	0.805	S	S	*	*				-173.5	141.4	99.2	-85.8	-23.5	0	0	0	112.5
31	E	28.4	Very low	28.6	Very low	182 Å²	182	142.8 Å²	142.8	85%	0.85	81%	0.811	S	S	*	*			trans	47.5	117.5	149.9	-61.6	-172.8	154.1	0	0	122	E33	E31-E33 PolarHBondContact O-N 3.34Å
32	V	27.1	Very low	29.1	Very low	150 Å²	150	141.4 Å²	141.4	91%	0.909	81%	0.805	S	S	*	*			trans	-72.1	109.5	164.1	174	0	0	0	0	108.7
33	E	28.9	Very low	29.2	Very low	190 Å²	190	144.3 Å²	144.3	89%	0.888	81%	0.806	S	S	*	*			trans	-99.1	123.9	171	-141.8	176.9	-170.1	0	0	110.7	E31	E31-E33 PolarHBondContact O-N 3.34Å
34	N	29.5	Very low	29.6	Very low	142 Å²	142	146.3 Å²	146.3	76%	0.759	81%	0.813	S	S	*	*			trans	-58.6	151	177.8	-104.8	-37.7	0	0	0	112.5	A36	N34-A36 PolarHBondContact O-N 3.44Å
35	P	29.3	Very low	30	Very low	124 Å²	124	140.2 Å²	140.2	81%	0.805	80%	0.797	S	S	*	*			trans	-74.6	94.8	171	31.6	-29.7	0	0	0	109.3	K37	P35-K37 PolarHBondContact O-N 3.09Å
36	A	30.1	Very low	30.3	Very low	87 Å²	87	139.2 Å²	139.2	72%	0.719	80%	0.803	S	S	*	*			trans	-68.7	125.6	171.9	0	0	0	0	0	110.2	N34 V38	N34-A36 PolarHBondContact O-N 3.44Å; A36-V38 PolarHBondContact O-N 3.15Å; A36-V38 VanDerWaalsContact O-N 3.15Å
37	K	27.5	Very low	31.3	Very low	194 Å²	194	135.1 Å²	135.1	84%	0.843	79%	0.788	S	S	*	*			trans	-46.9	118	163.2	-73.9	174.4	175.1	175.3	0	109.2	P35 H39	P35-K37 PolarHBondContact O-N 3.09Å; K37-H39 PolarHBondContact O-N 2.97Å
38	V	33.7	Very low	32.7	Very low	136 Å²	136	134.3 Å²	134.3	82%	0.824	78%	0.776	S	S	*	*			trans	-67.3	95.7	173	179.1	0	0	0	0	108.5	A36 G40	A36-V38 PolarHBondContact O-N 3.15Å; A36-V38 VanDerWaalsContact O-N 3.15Å; V38-G40 VanDerWaalsContact C-N 3.32Å
39	H	29.6	Very low	35.2	Very low	175 Å²	175	132 Å²	132	81%	0.81	77%	0.768	S	S	*	*			trans	-93.1	72	155.1	-90.8	17.7	0	0	0	107.9	K37 T41	K37-H39 PolarHBondContact O-N 2.97Å; H39-T41 PolarHBondContact O-N 3.45Å
40	G	31.5	Very low	38.4	Very low	59 Å²	59	129.4 Å²	129.4	61%	0.608	74%	0.74	S	S	*	*			trans	-89.7	86.2	165	0	0	0	0	0	109.1	V38 D42	V38-G40 VanDerWaalsContact C-N 3.32Å; G40-D42 PolarHBondContact O-N 2.85Å; G40-D42 VanDerWaalsContact O-N 3.09Å
41	T	29.5	Very low	41.5	Very low	133 Å²	133	123.3 Å²	123.3	82%	0.816	71%	0.707	S	S	*	*			trans	-78.4	77.1	163.2	49.3	0	0	0	0	108.6	H39 K43	H39-T41 PolarHBondContact O-N 3.45Å; T41-K43 PolarHBondContact O-N 3.44Å
42	D	35.5	Very low	44.6	Very low	147 Å²	147	114.7 Å²	114.7	79%	0.786	67%	0.667	S	S	*	*			trans	-71.8	114.1	159.9	-87.3	-24.4	0	0	0	107.5	G40	G40-D42 PolarHBondContact O-N 2.85Å; G40-D42 VanDerWaalsContact O-N 3.09Å
43	K	31.7	Very low	47.8	Very low	198 Å²	198	114.1 Å²	114.1	86%	0.861	65%	0.648	S	S	*	*			trans	-53.3	129.5	167.9	-92.6	178.9	173.8	176.2	0	108	T41 S45	T41-K43 PolarHBondContact O-N 3.44Å; K43-S45 PolarHBondContact O-N 3.34Å
44	P	37.3	Very low	51	Low	124 Å²	124	106.9 Å²	106.9	81%	0.805	62%	0.615	S	S	*	*			trans	-63.8	113	176.9	26.5	-32.2	0	0	0	108	S46	P44-S46 PolarHBondContact O-N 2.97Å
45	S	36.8	Very low	54.3	Low	86 Å²	86	100.1 Å²	100.1	60%	0.601	58%	0.578	S	S	*	*			trans	-53.7	136.8	165.2	59.5	0	0	0	0	108.1	K43 G47	K43-S45 PolarHBondContact O-N 3.34Å; S45-G47 PolarHBondContact O-N 3.43Å
46	S	36.9	Very low	57.6	Low	130 Å²	130	94.2 Å²	94.2	91%	0.909	54%	0.54	S	S	*	.	S	Bend	trans	-65.9	50.2	-175.9	65.4	0	0	0	0	114.6	P44	P44-S46 PolarHBondContact O-N 2.97Å
47	G	46.7	Very low	60.9	Low	50 Å²	50	90.1 Å²	90.1	52%	0.515	51%	0.506	S	S	.	.			trans	-78	146.4	164.7	0	0	0	0	0	109.4	S45 Q49	S45-G47 PolarHBondContact O-N 3.43Å; G47-Q49 PolarHBondContact O-N 2.7Å
48	S	58.9	Low	64.2	Low	83 Å²	83	80.9 Å²	80.9	58%	0.58	47%	0.466	S	S	*	.			trans	-37.3	132.4	-178.1	65.2	0	0	0	0	112	L50 R148	S48-L50 PolarHBondContact O-N 3.24Å; S48-R148 PolarHBondContact O-NH1 3.08Å; S48-R148 PolarHBondContact O-NH2 2.79Å; S48-R148 PolarHBondContact OG-NH1 2.92Å; S48-R148 VanDerWaalsContact OG-NH1 3.09Å
49	Q	79.5	Confident	67.3	Low	161 Å²	161	74.4 Å²	74.4	75%	0.752	43%	0.427	S	S	*	.	P	Polyproline II helix	trans	-56.9	129.4	178.8	-151.3	169.1	3.7	0	0	108.9	G47 D51	G47-Q49 PolarHBondContact O-N 2.7Å; Q49-D51 PolarHBondContact O-N 2.65Å
50	L	90	Very high	70.6	Confident	9 Å²	9	67.3 Å²	67.3	5%	0.047	39%	0.394	C	S	.	.	P	Polyproline II helix	trans	-55.7	122.1	178.2	174	71.7	0	0	0	108.6	S48 E54 V55 H140 L143 K144	S48-L50 PolarHBondContact O-N 3.24Å; L50-E54 HydrophobicContact CD1-CB 3.83Å; L50-E54 HydrophobicContact CD1-CG 4.5Å; L50-V55 HydrophobicContact CD2-CG2 4.49Å; L50-H140 PolarHBondContact O-CE1 3.07Å; L50-H140 PolarHBondContact O-NE2 3.38Å; L50-L143 HydrophobicContact CD2-CB 3.73Å; L50-K144 HydrophobicContact CB-CG 3.94Å; L50-K144 HydrophobicContact CD2-CG 4.3Å
51	D	92.6	Very high	73.7	Confident	30 Å²	30	64.8 Å²	64.8	16%	0.16	37%	0.367	C	S	.	.	P	Polyproline II helix	trans	-88.9	145	175.2	-173	-52	0	0	0	109.6	Q49 R53 E54	Q49-D51 PolarHBondContact O-N 2.65Å; D51-R53 HydrophobicContact CB-CG 4.08Å; D51-R53 PolarHBondContact O-N 2.79Å; D51-R53 WeakPolarHBondContact OD1-CB 3.47Å; D51-R53 WeakPolarHBondContact OD1-CG 3.33Å; D51-R53 PolarHBondContact OD1-N 3.13Å; D51-R53 IonicContact OD1-NE 3.97Å; D51-R53 PolarHBondContact OD1-NE 2.96Å; D51-R53 IonicContact OD2-CZ 2.82Å; D51-R53 IonicContact OD2-NE 3.46Å; D51-R53 PolarHBondContact OD2-NE 2.93Å; D51-R53 IonicContact OD2-NH2 3.77Å; D51-R53 PolarHBondContact OD2-NH2 2.89Å; D51-E54 HydrophobicContact CB-CG 4.41Å; D51-E54 PolarHBondContact N-OE2 3.3Å; D51-E54 WeakPolarHBondContact O-CB 3.2Å; D51-E54 PolarHBondContact O-N 3.48Å
52	L	93.9	Very high	76.8	Confident	1 Å²	1	59.5 Å²	59.5	1%	0.005	33%	0.333	C	S	.	.	G	3₁₀ helix	trans	-57.7	-28.9	177.2	-85.9	179.8	0	0	0	112.5	E54 V55 T82 L85 E87 L136 H140	L52-E54 PolarHBondContact O-N 3.32Å; L52-E54 VanDerWaalsContact O-N 3.14Å; L52-V55 WeakPolarHBondContact O-CB 3.49Å; L52-V55 PolarHBondContact O-N 2.76Å; L52-T82 HydrophobicContact CD1-CG2 4.47Å; L52-L85 HydrophobicContact CD1-CD1 4.1Å; L52-E87 HydrophobicContact CB-CB 4.24Å; L52-E87 HydrophobicContact CD1-CB 3.76Å; L52-E87 HydrophobicContact CD1-CG 3.89Å; L52-E87 HydrophobicContact CG-CB 4.41Å; L52-E87 HydrophobicContact CG-CG 4.42Å; L52-L136 HydrophobicContact CD1-CD1 4.5Å; L52-L136 HydrophobicContact CD1-CD2 3.93Å; L52-L136 HydrophobicContact CD1-CG 4.03Å; L52-L136 HydrophobicContact CD2-CD1 3.92Å; L52-L136 HydrophobicContact CD2-CG 4.27Å; L52-H140 HydrophobicContact CD2-CB 3.81Å; L52-H140 HydrophobicContact CG-CB 4.42Å
53	R	95.1	Very high	79.5	Confident	138 Å²	138	57 Å²	57	52%	0.521	31%	0.312	S	S	.	.	G	3₁₀ helix	trans	-60.9	-21.3	175.4	82.5	-177.1	79.9	-175	9.5	113.6	D51 V55 S88	D51-R53 HydrophobicContact CB-CG 4.08Å; D51-R53 PolarHBondContact O-N 2.79Å; D51-R53 WeakPolarHBondContact OD1-CB 3.47Å; D51-R53 WeakPolarHBondContact OD1-CG 3.33Å; D51-R53 PolarHBondContact OD1-N 3.13Å; D51-R53 IonicContact OD1-NE 3.97Å; D51-R53 PolarHBondContact OD1-NE 2.96Å; D51-R53 IonicContact OD2-CZ 2.82Å; D51-R53 IonicContact OD2-NE 3.46Å; D51-R53 PolarHBondContact OD2-NE 2.93Å; D51-R53 IonicContact OD2-NH2 3.77Å; D51-R53 PolarHBondContact OD2-NH2 2.89Å; R53-V55 VanDerWaalsContact C-N 3.25Å; R53-S88 PolarHBondContact NH2-OG 3.35Å
54	E	96.1	Very high	82.4	Confident	38 Å²	38	48.2 Å²	48.2	18%	0.178	28%	0.275	C	S	.	.	G	3₁₀ helix	trans	-83.3	-1.9	177.4	-59.3	-179.3	66.7	0	0	112.5	L50 D51 L52 S122 S123 W124	L50-E54 HydrophobicContact CD1-CB 3.83Å; L50-E54 HydrophobicContact CD1-CG 4.5Å; D51-E54 HydrophobicContact CB-CG 4.41Å; D51-E54 PolarHBondContact N-OE2 3.3Å; D51-E54 WeakPolarHBondContact O-CB 3.2Å; D51-E54 PolarHBondContact O-N 3.48Å; L52-E54 PolarHBondContact O-N 3.32Å; L52-E54 VanDerWaalsContact O-N 3.14Å; E54-S122 WeakPolarHBondContact O-CB 3.28Å; E54-S123 PolarHBondContact O-N 3.32Å; E54-S123 PolarHBondContact OE1-OG 3.4Å; E54-W124 PolarHBondContact O-N 2.95Å; E54-W124 VanDerWaalsContact O-N 3.17Å
55	V	98	Very high	85.1	Confident	0 Å²	0	43.6 Å²	43.6	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	122.9	175.8	-173.2	0	0	0	0	109.1	L50 L52 R53 F57 P90 W124 M126 L143	L50-V55 HydrophobicContact CD2-CG2 4.49Å; L52-V55 WeakPolarHBondContact O-CB 3.49Å; L52-V55 PolarHBondContact O-N 2.76Å; R53-V55 VanDerWaalsContact C-N 3.25Å; V55-F57 HydrophobicContact CB-CE2 4.17Å; V55-F57 HydrophobicContact CG1-CD2 4.29Å; V55-F57 HydrophobicContact CG1-CE1 4.34Å; V55-F57 HydrophobicContact CG1-CE2 3.75Å; V55-F57 HydrophobicContact CG1-CZ 3.79Å; V55-P90 WeakPolarHBondContact O-CB 3.37Å; V55-W124 HydrophobicContact CG1-CB 4.28Å; V55-W124 HydrophobicContact CG2-CB 4.39Å; V55-M126 HydrophobicContact CG1-CB 4.26Å; V55-L143 HydrophobicContact CG1-CD1 3.98Å; V55-L143 HydrophobicContact CG2-CD1 3.84Å
56	V	98.6	Very high	87.8	Confident	0 Å²	0	40.3 Å²	40.3	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	125.3	171.9	-178.6	0	0	0	0	108.5	V91 L93 F118 S122 W124 I125 M126	V56-V91 HydrophobicContact CG1-CB 4.24Å; V56-V91 HydrophobicContact CG1-CG1 4.16Å; V56-V91 HydrophobicContact CG2-CB 4.36Å; V56-L93 HydrophobicContact CG1-CD1 4.04Å; V56-L93 HydrophobicContact CG1-CG 4.29Å; V56-F118 HydrophobicContact CG1-CD2 4.26Å; V56-F118 HydrophobicContact CG1-CE2 4.22Å; V56-F118 HydrophobicContact CG1-CG 4.46Å; V56-F118 HydrophobicContact CG1-CZ 4.34Å; V56-F118 HydrophobicContact CG2-CB 4.06Å; V56-F118 HydrophobicContact CG2-CD1 3.66Å; V56-F118 HydrophobicContact CG2-CD2 4.34Å; V56-F118 HydrophobicContact CG2-CE1 4.22Å; V56-F118 HydrophobicContact CG2-CG 3.74Å; V56-S122 WeakPolarHBondContact CG2-OG 3.43Å; V56-W124 PolarHBondContact N-O 3.03Å; V56-I125 HydrophobicContact CB-CG1 4.37Å; V56-I125 CarbonylContact O-C 3.59Å; V56-I125 WeakPolarHBondContact O-CA 3.36Å; V56-M126 PolarHBondContact O-N 3.43Å
57	F	98.7	Very high	90.6	Very high	1 Å²	1	34.8 Å²	34.8	0%	0.004	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	133.2	173.7	-66.4	-88.8	0	0	0	110.1	V55 L78 P90 V91 I92 L93 M126 L128 L136 L139	V55-F57 HydrophobicContact CB-CE2 4.17Å; V55-F57 HydrophobicContact CG1-CD2 4.29Å; V55-F57 HydrophobicContact CG1-CE1 4.34Å; V55-F57 HydrophobicContact CG1-CE2 3.75Å; V55-F57 HydrophobicContact CG1-CZ 3.79Å; F57-L78 HydrophobicContact CB-CD1 4.46Å; F57-L78 HydrophobicContact CD1-CD1 4.2Å; F57-L78 HydrophobicContact CE1-CD2 4.48Å; F57-L78 HydrophobicContact CG-CD1 4.21Å; F57-P90 HydrophobicContact CD2-CB 3.83Å; F57-P90 HydrophobicContact CD2-CG 3.86Å; F57-P90 HydrophobicContact CE2-CB 3.79Å; F57-P90 HydrophobicContact CE2-CG 3.71Å; F57-V91 PolarHBondContact N-O 3Å; F57-I92 HydrophobicContact CB-CB 4.4Å; F57-I92 HydrophobicContact CB-CG1 4.17Å; F57-I92 HydrophobicContact CB-CG2 4.12Å; F57-I92 HydrophobicContact CD2-CG1 4.23Å; F57-I92 WeakPolarHBondContact O-CA 3.39Å; F57-L93 PolarHBondContact O-N 3.14Å; F57-M126 CarbonylContact C-O 3.45Å; F57-M126 WeakPolarHBondContact CA-O 3.23Å; F57-M126 HydrophobicContact CD1-CB 3.79Å; F57-M126 HydrophobicContact CD1-CG 3.88Å; F57-M126 HydrophobicContact CE1-CB 3.96Å; F57-M126 HydrophobicContact CE1-CG 3.88Å; F57-L128 HydrophobicContact CD1-CD1 3.69Å; F57-L128 HydrophobicContact CD1-CG 4.49Å; F57-L128 HydrophobicContact CE1-CD1 4.31Å; F57-L136 HydrophobicContact CE1-CD1 4.5Å; F57-L136 HydrophobicContact CE2-CD1 4.24Å; F57-L136 HydrophobicContact CZ-CD1 3.63Å; F57-L139 HydrophobicContact CE1-CD2 3.66Å; F57-L139 HydrophobicContact CZ-CD2 4.1Å
58	V	98.6	Very high	93	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	107.8	171.5	-178.8	0	0	0	0	108	L93 L114 I125 M126 F127 L128	V58-L93 HydrophobicContact CG2-CB 4.4Å; V58-L93 HydrophobicContact CG2-CD1 4.23Å; V58-L114 HydrophobicContact CG2-CD2 4.34Å; V58-I125 HydrophobicContact CG2-CG2 3.71Å; V58-M126 PolarHBondContact N-O 3.25Å; V58-F127 HydrophobicContact CB-CD1 3.76Å; V58-F127 HydrophobicContact CB-CE1 4.02Å; V58-F127 HydrophobicContact CG1-CD1 3.95Å; V58-F127 HydrophobicContact CG1-CE1 4.13Å; V58-F127 HydrophobicContact CG2-CD1 4.35Å; V58-F127 HydrophobicContact CG2-CE1 4.15Å; V58-F127 WeakPolarHBondContact O-CA 3.26Å; V58-L128 PolarHBondContact O-N 3.03Å
59	I	98.5	Very high	94.8	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	112.5	173.9	-58	174	0	0	0	107.8	S61 A71 L74 R75 I92 L93 L94 L95 L128 E130	I59-S61 PolarHBondContact O-N 3.41Å; I59-S61 PolarHBondContact O-OG 3Å; I59-A71 HydrophobicContact CG2-CB 4.01Å; I59-L74 HydrophobicContact CD1-CB 4.06Å; I59-L74 HydrophobicContact CD1-CD2 3.94Å; I59-L74 HydrophobicContact CD1-CG 3.81Å; I59-L74 HydrophobicContact CG1-CD2 4.05Å; I59-L74 HydrophobicContact CG1-CG 4.43Å; I59-L74 HydrophobicContact CG2-CD2 4.23Å; I59-R75 HydrophobicContact CD1-CB 4.05Å; I59-I92 HydrophobicContact CD1-CG2 3.75Å; I59-I92 HydrophobicContact CG1-CG2 4.23Å; I59-L93 PolarHBondContact N-O 3.05Å; I59-L94 HydrophobicContact CB-CD2 3.95Å; I59-L94 HydrophobicContact CD1-CD2 3.8Å; I59-L94 HydrophobicContact CG1-CD2 4.31Å; I59-L94 HydrophobicContact CG2-CD2 4.5Å; I59-L95 WeakPolarHBondContact O-CB 3.33Å; I59-L95 PolarHBondContact O-N 3.01Å; I59-L128 CarbonylContact C-O 3.56Å; I59-L128 WeakPolarHBondContact CA-O 3.44Å; I59-E130 HydrophobicContact CG2-CG 3.96Å
60	Q	97.2	Very high	95.5	Very high	25 Å²	25	30.7 Å²	30.7	12%	0.117	14%	0.136	C	C	.	.			trans	-69.6	71.9	-179.1	-64	-172.5	76.4	0	0	111	L95 I107 L128	Q60-L95 HydrophobicContact CB-CD2 4.45Å; Q60-I107 HydrophobicContact CG-CD1 4.16Å; Q60-L128 WeakPolarHBondContact CB-O 3.35Å; Q60-L128 PolarHBondContact N-O 3.41Å
61	S	96.5	Very high	95.9	Very high	6 Å²	6	30.3 Å²	30.3	4%	0.042	13%	0.134	C	C	.	.			trans	-100.4	158.4	-169.7	46.6	0	0	0	0	113.8	I59 A71 L95 H96 E130	I59-S61 PolarHBondContact O-N 3.41Å; I59-S61 PolarHBondContact O-OG 3Å; S61-A71 VanDerWaalsContact CB-CB 3.44Å; S61-L95 PolarHBondContact OG-N 2.96Å; S61-L95 VanDerWaalsContact OG-N 3.15Å; S61-H96 WeakPolarHBondContact CB-ND1 3.35Å; S61-H96 PolarHBondContact OG-ND1 2.67Å; S61-E130 WeakPolarHBondContact CA-OE1 3.41Å; S61-E130 WeakPolarHBondContact CB-OE1 3.4Å
62	Q	95.8	Very high	96.1	Very high	23 Å²	23	31 Å²	31	11%	0.107	14%	0.136	C	C	.	.			trans	-115.2	162	-179.1	-51.3	-175.4	66.3	0	0	112.1	H67 V68 E130 H438	Q62-H67 HydrophobicContact CB-CB 3.71Å; Q62-H67 PolarHBondContact NE2-CE1 3.41Å; Q62-H67 PolarHBondContact NE2-ND1 3.21Å; Q62-V68 WeakPolarHBondContact O-CG2 3.3Å; Q62-E130 PolarHBondContact N-OE1 3.16Å; Q62-E130 VanDerWaalsContact N-OE1 3.16Å; Q62-H438 PolarHBondContact NE2-O 2Å
63	R	93	Very high	96.3	Very high	93 Å²	93	37 Å²	37	35%	0.351	16%	0.162	S	C	.	.	S	Bend	trans	-77.3	-23.5	-168.9	-72.9	-176.3	179.6	155	8.5	115.6	H96 S99 D100 P435	R63-H96 HydrophobicContact CG-CB 3.87Å; R63-S99 PolarHBondContact NH2-O 3.39Å; R63-D100 VanDerWaalsContact NH2-CA 3.32Å; R63-D100 PolarHBondContact NH2-O 3.05Å; R63-D100 IonicContact NH2-OD1 3.46Å; R63-P435 HydrophobicContact CB-CG 4.07Å
64	N	92.3	Very high	96.4	Very high	14 Å²	14	30.6 Å²	30.6	8%	0.075	14%	0.139	C	C	.	.	S	Bend	trans	-72.4	157.9	-177.5	70.7	70.6	0	0	0	111.3	F66 H67 V68 T437	N64-F66 VanDerWaalsContact C-N 3.28Å; N64-F66 PolarHBondContact O-N 3.1Å; N64-F66 PolarHBondContact OD1-N 2.67Å; N64-H67 PolarHBondContact ND2-CD2 2.88Å; N64-H67 PolarHBondContact O-N 3.49Å; N64-H67 VanDerWaalsContact O-N 3.16Å; N64-H67 PolarHBondContact OD1-CD2 2.92Å; N64-H67 PolarHBondContact OD1-N 3.47Å; N64-V68 WeakPolarHBondContact O-CG2 3.29Å; N64-V68 PolarHBondContact O-N 3.06Å; N64-V68 VanDerWaalsContact O-N 3.08Å; N64-T437 WeakPolarHBondContact ND2-CG2 3.45Å; N64-T437 PolarHBondContact ND2-OG1 3.42Å
65	S	93.4	Very high	96.5	Very high	28 Å²	28	32.7 Å²	32.7	20%	0.196	15%	0.145	C	C	.	.	H	α-helix	trans	-63.2	-31.5	-165	69.6	0	0	0	0	113.9	R69 E371	S65-R69 VanDerWaalsContact CB-NH1 3.28Å; S65-R69 VanDerWaalsContact O-CG 3.28Å; S65-R69 WeakPolarHBondContact O-CG 3.38Å; S65-R69 PolarHBondContact O-N 2.99Å; S65-R69 VanDerWaalsContact O-N 3.12Å; S65-R69 PolarHBondContact O-NH1 3.31Å; S65-R69 PolarHBondContact OG-NH1 3.21Å; S65-R69 VanDerWaalsContact OG-NH1 3.08Å; S65-E371 VanDerWaalsContact CB-OE1 3.24Å; S65-E371 WeakPolarHBondContact CB-OE1 3.27Å; S65-E371 PolarHBondContact OG-OE1 2.98Å; S65-E371 PolarHBondContact OG-OE2 2.87Å
66	F	94.4	Very high	96.5	Very high	17 Å²	17	39.5 Å²	39.5	8%	0.075	17%	0.174	C	C	.	.	H	α-helix	trans	-62.5	-52.4	175.3	168.9	-116.8	0	0	0	112.2	N64 R69 Q70 P259 C261 C366 Y367	N64-F66 VanDerWaalsContact C-N 3.28Å; N64-F66 PolarHBondContact O-N 3.1Å; N64-F66 PolarHBondContact OD1-N 2.67Å; F66-R69 WeakPolarHBondContact O-CB 3.35Å; F66-R69 PolarHBondContact O-N 3.09Å; F66-Q70 HydrophobicContact CD2-CG 4.32Å; F66-Q70 HydrophobicContact CE2-CG 3.84Å; F66-Q70 HydrophobicContact CZ-CG 3.96Å; F66-Q70 PolarHBondContact O-N 3.47Å; F66-Q70 VanDerWaalsContact O-N 3.11Å; F66-P259 HydrophobicContact CZ-CB 4.17Å; F66-C261 WeakPolarHBondContact CE2-SG 3.27Å; F66-C366 WeakPolarHBondContact CB-O 3.43Å; F66-C366 HydrophobicContact CD1-CB 4.29Å; F66-C366 HydrophobicContact CD2-CB 3.63Å; F66-C366 HydrophobicContact CE1-CB 4.39Å; F66-C366 HydrophobicContact CE2-CB 3.72Å; F66-C366 HydrophobicContact CG-CB 3.93Å; F66-C366 HydrophobicContact CZ-CB 4.11Å; F66-Y367 HydrophobicContact CB-CD1 4.24Å; F66-Y367 HydrophobicContact CB-CE1 4.15Å; F66-Y367 AromaticContact CD1-CE1 3.92Å; F66-Y367 HydrophobicContact CD1-CE1 3.92Å; F66-Y367 HydrophobicContact CD1-CE2 4.48Å; F66-Y367 AromaticContact CD1-CZ 3.8Å; F66-Y367 HydrophobicContact CG-CE1 4.42Å
67	H	95.7	Very high	96.5	Very high	13 Å²	13	42.3 Å²	42.3	6%	0.06	19%	0.19	C	C	.	.	H	α-helix	trans	-65.2	-43.7	-177.4	-77.4	-85	0	0	0	110.9	Q62 N64 R69 Q70 A71 E130 Y367	Q62-H67 HydrophobicContact CB-CB 3.71Å; Q62-H67 PolarHBondContact NE2-CE1 3.41Å; Q62-H67 PolarHBondContact NE2-ND1 3.21Å; N64-H67 PolarHBondContact ND2-CD2 2.88Å; N64-H67 PolarHBondContact O-N 3.49Å; N64-H67 VanDerWaalsContact O-N 3.16Å; N64-H67 PolarHBondContact OD1-CD2 2.92Å; N64-H67 PolarHBondContact OD1-N 3.47Å; H67-R69 VanDerWaalsContact C-N 3.3Å; H67-R69 PolarHBondContact O-N 3.02Å; H67-Q70 PolarHBondContact O-N 3.21Å; H67-A71 WeakPolarHBondContact O-CB 3.41Å; H67-A71 PolarHBondContact O-N 3.27Å; H67-E130 VanDerWaalsContact C-OE1 3.24Å; H67-E130 WeakPolarHBondContact CA-OE1 3.11Å; H67-E130 VanDerWaalsContact CB-OE1 3.3Å; H67-E130 WeakPolarHBondContact CB-OE1 3.35Å; H67-E130 IonicContact CE1-OE2 3.88Å; H67-E130 IonicContact CG-OE2 3.17Å; H67-E130 IonicContact ND1-OE1 3.69Å; H67-E130 IonicContact ND1-OE2 3.02Å; H67-E130 PolarHBondContact ND1-OE2 2.7Å; H67-Y367 AromaticContact CD2-CE1 3.99Å; H67-Y367 AromaticContact NE2-CZ 3.88Å; H67-Y367 PolarHBondContact NE2-OH 3.29Å
68	V	96.4	Very high	96.4	Very high	40 Å²	40	42.3 Å²	42.3	24%	0.242	19%	0.189	C	C	.	.	H	α-helix	trans	-53.9	-45.5	172.6	176.9	0	0	0	0	111.8	Q62 N64 Q70 A71 E72	Q62-V68 WeakPolarHBondContact O-CG2 3.3Å; N64-V68 WeakPolarHBondContact O-CG2 3.29Å; N64-V68 PolarHBondContact O-N 3.06Å; N64-V68 VanDerWaalsContact O-N 3.08Å; V68-Q70 PolarHBondContact O-N 3.32Å; V68-A71 PolarHBondContact O-N 3.32Å; V68-E72 HydrophobicContact CG1-CG 4.41Å; V68-E72 WeakPolarHBondContact O-CB 2.96Å; V68-E72 VanDerWaalsContact O-CG 3.3Å; V68-E72 WeakPolarHBondContact O-CG 2.99Å; V68-E72 PolarHBondContact O-N 2.74Å
69	R	95.8	Very high	96.4	Very high	122 Å²	122	45.2 Å²	45.2	46%	0.46	21%	0.205	S	C	.	.	H	α-helix	trans	-62.5	-40.4	177.5	-74	-175.1	-59.9	-94.5	7.4	112.5	S65 F66 H67 K73	S65-R69 VanDerWaalsContact CB-NH1 3.28Å; S65-R69 VanDerWaalsContact O-CG 3.28Å; S65-R69 WeakPolarHBondContact O-CG 3.38Å; S65-R69 PolarHBondContact O-N 2.99Å; S65-R69 VanDerWaalsContact O-N 3.12Å; S65-R69 PolarHBondContact O-NH1 3.31Å; S65-R69 PolarHBondContact OG-NH1 3.21Å; S65-R69 VanDerWaalsContact OG-NH1 3.08Å; F66-R69 WeakPolarHBondContact O-CB 3.35Å; F66-R69 PolarHBondContact O-N 3.09Å; H67-R69 VanDerWaalsContact C-N 3.3Å; H67-R69 PolarHBondContact O-N 3.02Å; R69-K73 WeakPolarHBondContact O-CB 3.22Å; R69-K73 PolarHBondContact O-N 3.17Å; R69-K73 VanDerWaalsContact O-N 3.07Å
70	Q	95.3	Very high	96.4	Very high	47 Å²	47	50 Å²	50	22%	0.22	23%	0.23	C	C	.	.	H	α-helix	trans	-66.9	-45.7	177.3	-64.9	-60.3	-28.5	0	0	111.6	F66 H67 V68 E72 K73 L74 E130	F66-Q70 HydrophobicContact CD2-CG 4.32Å; F66-Q70 HydrophobicContact CE2-CG 3.84Å; F66-Q70 HydrophobicContact CZ-CG 3.96Å; F66-Q70 PolarHBondContact O-N 3.47Å; F66-Q70 VanDerWaalsContact O-N 3.11Å; H67-Q70 PolarHBondContact O-N 3.21Å; V68-Q70 PolarHBondContact O-N 3.32Å; Q70-E72 VanDerWaalsContact C-N 3.33Å; Q70-E72 PolarHBondContact O-N 3.05Å; Q70-K73 WeakPolarHBondContact O-CB 3.43Å; Q70-K73 PolarHBondContact O-N 3.19Å; Q70-K73 VanDerWaalsContact O-N 3.15Å; Q70-L74 PolarHBondContact O-N 2.03Å; Q70-E130 HydrophobicContact CB-CB 3.77Å
71	A	97.4	Very high	96.4	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-59.4	-44.5	178.2	0	0	0	0	0	112.1	I59 S61 H67 V68 K73 L74 R75 L94 E130	I59-A71 HydrophobicContact CG2-CB 4.01Å; S61-A71 VanDerWaalsContact CB-CB 3.44Å; H67-A71 WeakPolarHBondContact O-CB 3.41Å; H67-A71 PolarHBondContact O-N 3.27Å; V68-A71 PolarHBondContact O-N 3.32Å; A71-K73 VanDerWaalsContact C-N 3.33Å; A71-K73 PolarHBondContact O-N 2.72Å; A71-L74 PolarHBondContact O-N 3.44Å; A71-R75 WeakPolarHBondContact O-CB 3.48Å; A71-R75 PolarHBondContact O-N 3.27Å; A71-L94 HydrophobicContact CB-CD2 4.11Å; A71-E130 HydrophobicContact CB-CG 4.02Å
72	E	98.2	Very high	96.5	Very high	45 Å²	45	50.7 Å²	50.7	21%	0.21	23%	0.232	C	C	.	.	H	α-helix	trans	-65.3	-35.5	176.6	-76.3	-65.8	172.7	0	0	113.1	V68 Q70 R75 K76 L94	V68-E72 HydrophobicContact CG1-CG 4.41Å; V68-E72 WeakPolarHBondContact O-CB 2.96Å; V68-E72 VanDerWaalsContact O-CG 3.3Å; V68-E72 WeakPolarHBondContact O-CG 2.99Å; V68-E72 PolarHBondContact O-N 2.74Å; Q70-E72 VanDerWaalsContact C-N 3.33Å; Q70-E72 PolarHBondContact O-N 3.05Å; E72-R75 VanDerWaalsContact CD-CZ 3.49Å; E72-R75 PolarHBondContact O-N 2.96Å; E72-R75 IonicContact OE1-CZ 3.52Å; E72-R75 IonicContact OE1-NE 3.02Å; E72-R75 IonicContact OE1-NH1 2.76Å; E72-R75 IonicContact OE1-NH2 3.76Å; E72-R75 PolarHBondContact OE1-NH2 3.24Å; E72-R75 IonicContact OE2-CZ 3.68Å; E72-R75 IonicContact OE2-NE 3.53Å; E72-R75 PolarHBondContact OE2-NE 3.09Å; E72-R75 IonicContact OE2-NH2 2.85Å; E72-R75 PolarHBondContact OE2-NH2 2.85Å; E72-K76 WeakPolarHBondContact O-CB 3.41Å; E72-K76 VanDerWaalsContact O-CG 3.28Å; E72-K76 WeakPolarHBondContact O-CG 3.27Å; E72-K76 PolarHBondContact O-N 3.38Å; E72-L94 HydrophobicContact CG-CD1 4.28Å; E72-L94 VanDerWaalsContact OE1-CD1 3.27Å; E72-L94 WeakPolarHBondContact OE1-CD1 3.35Å
73	K	96.9	Very high	96.5	Very high	127 Å²	127	56.2 Å²	56.2	55%	0.552	26%	0.258	S	S	*	.	H	α-helix	trans	-62.6	-48	174.8	-176.4	179.5	178	179.2	0	110.9	R69 Q70 A71 K76 D77	R69-K73 WeakPolarHBondContact O-CB 3.22Å; R69-K73 PolarHBondContact O-N 3.17Å; R69-K73 VanDerWaalsContact O-N 3.07Å; Q70-K73 WeakPolarHBondContact O-CB 3.43Å; Q70-K73 PolarHBondContact O-N 3.19Å; Q70-K73 VanDerWaalsContact O-N 3.15Å; A71-K73 VanDerWaalsContact C-N 3.33Å; A71-K73 PolarHBondContact O-N 2.72Å; K73-K76 PolarHBondContact O-N 2.74Å; K73-D77 WeakPolarHBondContact O-CB 3.27Å; K73-D77 PolarHBondContact O-N 3.21Å
74	L	97.3	Very high	96.7	Very high	4 Å²	4	57 Å²	57	2%	0.021	27%	0.273	C	S	.	.	H	α-helix	trans	-63.9	-42.3	177.1	177.3	57.2	0	0	0	111.8	I59 Q70 A71 K76 D77 L78 L128 E129 T132 V134	I59-L74 HydrophobicContact CD1-CB 4.06Å; I59-L74 HydrophobicContact CD1-CD2 3.94Å; I59-L74 HydrophobicContact CD1-CG 3.81Å; I59-L74 HydrophobicContact CG1-CD2 4.05Å; I59-L74 HydrophobicContact CG1-CG 4.43Å; I59-L74 HydrophobicContact CG2-CD2 4.23Å; Q70-L74 PolarHBondContact O-N 2.03Å; A71-L74 PolarHBondContact O-N 3.44Å; L74-K76 PolarHBondContact O-N 3.34Å; L74-D77 PolarHBondContact O-N 3.47Å; L74-L78 HydrophobicContact CD1-CD1 4.35Å; L74-L78 HydrophobicContact CD1-CG 4.24Å; L74-L78 HydrophobicContact CG-CD1 4.32Å; L74-L78 WeakPolarHBondContact O-CG 3.35Å; L74-L78 PolarHBondContact O-N 2.65Å; L74-L128 HydrophobicContact CD2-CB 4.2Å; L74-L128 HydrophobicContact CD2-CD1 4.25Å; L74-E129 WeakPolarHBondContact CD2-O 3.22Å; L74-T132 WeakPolarHBondContact CD1-O 3.32Å; L74-V134 HydrophobicContact CD1-CG2 4.36Å
75	R	98.4	Very high	96.8	Very high	82 Å²	82	58.8 Å²	58.8	31%	0.309	28%	0.283	S	S	.	.	H	α-helix	trans	-58	-47	175.6	-177.3	170.8	75.2	164.4	8.6	112.2	I59 A71 E72 L78 L79 I92 L94	I59-R75 HydrophobicContact CD1-CB 4.05Å; A71-R75 WeakPolarHBondContact O-CB 3.48Å; A71-R75 PolarHBondContact O-N 3.27Å; E72-R75 VanDerWaalsContact CD-CZ 3.49Å; E72-R75 PolarHBondContact O-N 2.96Å; E72-R75 IonicContact OE1-CZ 3.52Å; E72-R75 IonicContact OE1-NE 3.02Å; E72-R75 IonicContact OE1-NH1 2.76Å; E72-R75 IonicContact OE1-NH2 3.76Å; E72-R75 PolarHBondContact OE1-NH2 3.24Å; E72-R75 IonicContact OE2-CZ 3.68Å; E72-R75 IonicContact OE2-NE 3.53Å; E72-R75 PolarHBondContact OE2-NE 3.09Å; E72-R75 IonicContact OE2-NH2 2.85Å; E72-R75 PolarHBondContact OE2-NH2 2.85Å; R75-L78 PolarHBondContact O-N 2.97Å; R75-L79 HydrophobicContact CG-CD1 4.3Å; R75-L79 WeakPolarHBondContact O-CG 3.32Å; R75-L79 PolarHBondContact O-N 3.03Å; R75-L79 VanDerWaalsContact O-N 3.14Å; R75-I92 HydrophobicContact CB-CG2 4.12Å; R75-I92 HydrophobicContact CG-CB 4.06Å; R75-I92 HydrophobicContact CG-CD1 4.22Å; R75-I92 HydrophobicContact CG-CG2 3.72Å; R75-L94 HydrophobicContact CB-CD2 4.34Å
76	K	98.2	Very high	96.9	Very high	142 Å²	142	66 Å²	66	62%	0.617	31%	0.313	S	S	*	.	H	α-helix	trans	-63	-41.5	177.9	-74.6	174.1	-176.9	178.8	0	112	E72 K73 L74 L79 L80	E72-K76 WeakPolarHBondContact O-CB 3.41Å; E72-K76 VanDerWaalsContact O-CG 3.28Å; E72-K76 WeakPolarHBondContact O-CG 3.27Å; E72-K76 PolarHBondContact O-N 3.38Å; K73-K76 PolarHBondContact O-N 2.74Å; L74-K76 PolarHBondContact O-N 3.34Å; K76-L79 PolarHBondContact O-N 3.03Å; K76-L80 WeakPolarHBondContact O-CB 3.22Å; K76-L80 PolarHBondContact O-N 3.45Å
77	D	97.9	Very high	96.7	Very high	60 Å²	60	68.3 Å²	68.3	32%	0.321	32%	0.324	S	S	.	.	H	α-helix	trans	-60.9	-47.6	177.7	-179.5	67.9	0	0	0	112	K73 L74 L79 L80 Q81	K73-D77 WeakPolarHBondContact O-CB 3.27Å; K73-D77 PolarHBondContact O-N 3.21Å; L74-D77 PolarHBondContact O-N 3.47Å; D77-L79 VanDerWaalsContact C-N 3.35Å; D77-L79 PolarHBondContact O-N 3.39Å; D77-L80 PolarHBondContact O-N 2.91Å; D77-Q81 WeakPolarHBondContact O-CG 3.47Å; D77-Q81 PolarHBondContact O-N 3.41Å; D77-Q81 PolarHBondContact OD2-NE2 3.34Å
78	L	98.2	Very high	96.6	Very high	0 Å²	0	69.7 Å²	69.7	0%	0	34%	0.336	C	S	.	.	H	α-helix	trans	-59.6	-42.2	176	-72.3	171.8	0	0	0	112.6	F57 L74 R75 Q81 T82 I92 L128 V134 L136	F57-L78 HydrophobicContact CB-CD1 4.46Å; F57-L78 HydrophobicContact CD1-CD1 4.2Å; F57-L78 HydrophobicContact CE1-CD2 4.48Å; F57-L78 HydrophobicContact CG-CD1 4.21Å; L74-L78 HydrophobicContact CD1-CD1 4.35Å; L74-L78 HydrophobicContact CD1-CG 4.24Å; L74-L78 HydrophobicContact CG-CD1 4.32Å; L74-L78 WeakPolarHBondContact O-CG 3.35Å; L74-L78 PolarHBondContact O-N 2.65Å; R75-L78 PolarHBondContact O-N 2.97Å; L78-Q81 PolarHBondContact O-N 3.47Å; L78-T82 PolarHBondContact O-N 3.17Å; L78-T82 PolarHBondContact O-OG1 3.06Å; L78-I92 HydrophobicContact CB-CD1 3.63Å; L78-I92 HydrophobicContact CD1-CD1 4.12Å; L78-I92 HydrophobicContact CD1-CG2 4.43Å; L78-L128 HydrophobicContact CD1-CD1 4.09Å; L78-V134 HydrophobicContact CD2-CB 3.86Å; L78-V134 HydrophobicContact CD2-CG1 3.94Å; L78-V134 HydrophobicContact CD2-CG2 4.28Å; L78-L136 HydrophobicContact CD2-CD1 4.28Å
79	L	98	Very high	96.4	Very high	61 Å²	61	72.2 Å²	72.2	32%	0.319	35%	0.352	S	S	.	.	H	α-helix	trans	-65.3	-41.6	177.2	-70.2	171.3	0	0	0	111.9	R75 K76 D77 T82 Q83 P89 I92	R75-L79 HydrophobicContact CG-CD1 4.3Å; R75-L79 WeakPolarHBondContact O-CG 3.32Å; R75-L79 PolarHBondContact O-N 3.03Å; R75-L79 VanDerWaalsContact O-N 3.14Å; K76-L79 PolarHBondContact O-N 3.03Å; D77-L79 VanDerWaalsContact C-N 3.35Å; D77-L79 PolarHBondContact O-N 3.39Å; L79-T82 WeakPolarHBondContact O-CB 3.14Å; L79-T82 PolarHBondContact O-N 2.83Å; L79-Q83 WeakPolarHBondContact O-CG 3.48Å; L79-Q83 PolarHBondContact O-N 2.97Å; L79-P89 HydrophobicContact CD2-CB 4.19Å; L79-I92 HydrophobicContact CD2-CD1 3.89Å; L79-I92 HydrophobicContact CG-CD1 3.83Å
80	L	98.1	Very high	96.5	Very high	101 Å²	101	66.8 Å²	66.8	53%	0.529	33%	0.333	S	S	.	.	H	α-helix	trans	-64.8	-42.5	177.5	-178.7	63.7	0	0	0	111.7	K76 D77 T82 Q83 T84	K76-L80 WeakPolarHBondContact O-CB 3.22Å; K76-L80 PolarHBondContact O-N 3.45Å; D77-L80 PolarHBondContact O-N 2.91Å; L80-T82 VanDerWaalsContact C-N 3.3Å; L80-T82 PolarHBondContact O-N 3.09Å; L80-Q83 PolarHBondContact O-N 3.27Å; L80-T84 PolarHBondContact O-N 3.17Å; L80-T84 PolarHBondContact O-OG1 2.87Å
81	Q	98.1	Very high	96.6	Very high	44 Å²	44	67.4 Å²	67.4	21%	0.206	34%	0.34	C	S	.	.	H	α-helix	trans	-62.8	-39.3	174.1	-70.9	-173.2	57.3	0	0	111.4	D77 L78 Q83 T84 L85 V134 L136	D77-Q81 WeakPolarHBondContact O-CG 3.47Å; D77-Q81 PolarHBondContact O-N 3.41Å; D77-Q81 PolarHBondContact OD2-NE2 3.34Å; L78-Q81 PolarHBondContact O-N 3.47Å; Q81-Q83 PolarHBondContact O-N 2.95Å; Q81-T84 WeakPolarHBondContact O-CB 3.39Å; Q81-T84 PolarHBondContact O-N 3.49Å; Q81-L85 WeakPolarHBondContact O-CG 3.48Å; Q81-L85 PolarHBondContact O-N 3.06Å; Q81-V134 PolarHBondContact NE2-O 3.28Å; Q81-V134 PolarHBondContact OE1-O 3.46Å; Q81-L136 HydrophobicContact CB-CB 3.93Å; Q81-L136 HydrophobicContact CB-CD2 3.96Å
82	T	97	Very high	96.7	Very high	1 Å²	1	68.4 Å²	68.4	1%	0.006	35%	0.345	C	S	.	.	H	α-helix	trans	-61.7	-43.8	177.1	-53.6	0	0	0	0	111.8	L52 L78 L79 L80 T84 L85 Q86 E87 P90 L136	L52-T82 HydrophobicContact CD1-CG2 4.47Å; L78-T82 PolarHBondContact O-N 3.17Å; L78-T82 PolarHBondContact O-OG1 3.06Å; L79-T82 WeakPolarHBondContact O-CB 3.14Å; L79-T82 PolarHBondContact O-N 2.83Å; L80-T82 VanDerWaalsContact C-N 3.3Å; L80-T82 PolarHBondContact O-N 3.09Å; T82-T84 VanDerWaalsContact C-N 3.31Å; T82-T84 PolarHBondContact O-N 3.28Å; T82-L85 PolarHBondContact O-N 2.98Å; T82-Q86 PolarHBondContact O-N 2.76Å; T82-E87 HydrophobicContact CG2-CB 4.05Å; T82-E87 WeakPolarHBondContact CG2-O 3.49Å; T82-E87 PolarHBondContact O-N 3.36Å; T82-P90 WeakPolarHBondContact OG1-CD 3.42Å; T82-L136 WeakPolarHBondContact OG1-CD2 3.3Å
83	Q	96.6	Very high	96.7	Very high	140 Å²	140	67.5 Å²	67.5	65%	0.654	34%	0.342	S	S	*	.	H	α-helix	trans	-61.2	-41.3	174.7	-70.2	173.2	4.7	0	0	111.9	L79 L80 Q81 L85 Q86	L79-Q83 WeakPolarHBondContact O-CG 3.48Å; L79-Q83 PolarHBondContact O-N 2.97Å; L80-Q83 PolarHBondContact O-N 3.27Å; Q81-Q83 PolarHBondContact O-N 2.95Å; Q83-L85 VanDerWaalsContact C-N 3.28Å; Q83-L85 PolarHBondContact O-N 2.87Å; Q83-Q86 PolarHBondContact O-N 2.98Å; Q83-Q86 VanDerWaalsContact O-N 3.07Å
84	T	96.6	Very high	96.7	Very high	108 Å²	108	61.5 Å²	61.5	66%	0.663	32%	0.316	S	S	*	.	H	α-helix	trans	-64.3	-35.2	178.5	-56.1	0	0	0	0	111.8	L80 Q81 T82 Q86	L80-T84 PolarHBondContact O-N 3.17Å; L80-T84 PolarHBondContact O-OG1 2.87Å; Q81-T84 WeakPolarHBondContact O-CB 3.39Å; Q81-T84 PolarHBondContact O-N 3.49Å; T82-T84 VanDerWaalsContact C-N 3.31Å; T82-T84 PolarHBondContact O-N 3.28Å; T84-Q86 PolarHBondContact O-N 3.28Å
85	L	95.6	Very high	96.7	Very high	52 Å²	52	61.9 Å²	61.9	27%	0.272	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.2	-5.4	175.5	-66.3	172.3	0	0	0	113.7	L52 Q81 T82 Q83 E87 L136 Q137	L52-L85 HydrophobicContact CD1-CD1 4.1Å; Q81-L85 WeakPolarHBondContact O-CG 3.48Å; Q81-L85 PolarHBondContact O-N 3.06Å; T82-L85 PolarHBondContact O-N 2.98Å; Q83-L85 VanDerWaalsContact C-N 3.28Å; Q83-L85 PolarHBondContact O-N 2.87Å; L85-E87 HydrophobicContact CB-CB 4.42Å; L85-E87 HydrophobicContact CB-CG 4.03Å; L85-E87 PolarHBondContact O-N 3.45Å; L85-L136 HydrophobicContact CD1-CB 4.31Å; L85-L136 HydrophobicContact CD1-CD2 4.26Å; L85-L136 HydrophobicContact CD1-CG 4.14Å; L85-Q137 HydrophobicContact CD1-CB 4.07Å; L85-Q137 HydrophobicContact CD2-CB 3.89Å; L85-Q137 HydrophobicContact CD2-CG 3.91Å
86	Q	94.1	Very high	96.5	Very high	181 Å²	181	59.7 Å²	59.7	85%	0.846	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.6	30.5	-176.4	-54.7	179.4	-2.2	0	0	113.3	T82 Q83 T84	T82-Q86 PolarHBondContact O-N 2.76Å; Q83-Q86 PolarHBondContact O-N 2.98Å; Q83-Q86 VanDerWaalsContact O-N 3.07Å; T84-Q86 PolarHBondContact O-N 3.28Å
87	E	91.5	Very high	96.4	Very high	65 Å²	65	57.1 Å²	57.1	30%	0.304	31%	0.307	S	S	.	.	P	Polyproline II helix	trans	-98.9	162	-179.9	-73.8	-81.3	-170	0	0	110.6	L52 T82 L85 H140	L52-E87 HydrophobicContact CB-CB 4.24Å; L52-E87 HydrophobicContact CD1-CB 3.76Å; L52-E87 HydrophobicContact CD1-CG 3.89Å; L52-E87 HydrophobicContact CG-CB 4.41Å; L52-E87 HydrophobicContact CG-CG 4.42Å; T82-E87 HydrophobicContact CG2-CB 4.05Å; T82-E87 WeakPolarHBondContact CG2-O 3.49Å; T82-E87 PolarHBondContact O-N 3.36Å; L85-E87 HydrophobicContact CB-CB 4.42Å; L85-E87 HydrophobicContact CB-CG 4.03Å; L85-E87 PolarHBondContact O-N 3.45Å; E87-H140 IonicContact OE1-CE1 2.74Å
88	S	92.3	Very high	96.2	Very high	42 Å²	42	55.1 Å²	55.1	29%	0.294	30%	0.296	S	S	.	.	P	Polyproline II helix	trans	-71.1	137.5	173.3	-68.3	0	0	0	0	110.4	R53	R53-S88 PolarHBondContact NH2-OG 3.35Å
89	P	94	Very high	95.8	Very high	92 Å²	92	56.7 Å²	56.7	60%	0.597	31%	0.307	S	S	*	.	P	Polyproline II helix	trans	-62.9	130.2	-175.8	24.6	-33	0	0	0	111.6	L79	L79-P89 HydrophobicContact CD2-CB 4.19Å
90	P	96.6	Very high	95.3	Very high	9 Å²	9	60.6 Å²	60.6	6%	0.058	33%	0.329	C	S	.	.	P	Polyproline II helix	trans	-69.8	163.7	171.5	30.4	-36.2	0	0	0	111.3	V55 F57 T82 I92	V55-P90 WeakPolarHBondContact O-CB 3.37Å; F57-P90 HydrophobicContact CD2-CB 3.83Å; F57-P90 HydrophobicContact CD2-CG 3.86Å; F57-P90 HydrophobicContact CE2-CB 3.79Å; F57-P90 HydrophobicContact CE2-CG 3.71Å; T82-P90 WeakPolarHBondContact OG1-CD 3.42Å; P90-I92 HydrophobicContact CG-CD1 4.44Å; P90-I92 HydrophobicContact CG-CG1 4.25Å
91	V	98	Very high	94.7	Very high	60 Å²	60	59 Å²	59	36%	0.364	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	129.8	166.4	177.7	0	0	0	0	108.6	V56 F57 L93 F118	V56-V91 HydrophobicContact CG1-CB 4.24Å; V56-V91 HydrophobicContact CG1-CG1 4.16Å; V56-V91 HydrophobicContact CG2-CB 4.36Å; F57-V91 PolarHBondContact N-O 3Å; V91-L93 HydrophobicContact CG1-CD2 3.67Å; V91-L93 HydrophobicContact CG1-CG 3.98Å; V91-F118 HydrophobicContact CB-CE1 4.35Å; V91-F118 HydrophobicContact CG1-CE1 3.93Å; V91-F118 HydrophobicContact CG1-CZ 3.98Å; V91-F118 HydrophobicContact CG2-CE1 4.2Å
92	I	98.4	Very high	94.2	Very high	21 Å²	21	58.4 Å²	58.4	11%	0.108	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	109	177.3	-51.7	172.1	0	0	0	109.2	F57 I59 R75 L78 L79 P90	F57-I92 HydrophobicContact CB-CB 4.4Å; F57-I92 HydrophobicContact CB-CG1 4.17Å; F57-I92 HydrophobicContact CB-CG2 4.12Å; F57-I92 HydrophobicContact CD2-CG1 4.23Å; F57-I92 WeakPolarHBondContact O-CA 3.39Å; I59-I92 HydrophobicContact CD1-CG2 3.75Å; I59-I92 HydrophobicContact CG1-CG2 4.23Å; R75-I92 HydrophobicContact CB-CG2 4.12Å; R75-I92 HydrophobicContact CG-CB 4.06Å; R75-I92 HydrophobicContact CG-CD1 4.22Å; R75-I92 HydrophobicContact CG-CG2 3.72Å; L78-I92 HydrophobicContact CB-CD1 3.63Å; L78-I92 HydrophobicContact CD1-CD1 4.12Å; L78-I92 HydrophobicContact CD1-CG2 4.43Å; L79-I92 HydrophobicContact CD2-CD1 3.89Å; L79-I92 HydrophobicContact CG-CD1 3.83Å; P90-I92 HydrophobicContact CG-CD1 4.44Å; P90-I92 HydrophobicContact CG-CG1 4.25Å
93	L	98.3	Very high	93.8	Very high	26 Å²	26	58.4 Å²	58.4	14%	0.136	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	139.4	-177.4	-58.3	-178.2	0	0	0	110.7	V56 F57 V58 I59 V91 L98 L114 F118	V56-L93 HydrophobicContact CG1-CD1 4.04Å; V56-L93 HydrophobicContact CG1-CG 4.29Å; F57-L93 PolarHBondContact O-N 3.14Å; V58-L93 HydrophobicContact CG2-CB 4.4Å; V58-L93 HydrophobicContact CG2-CD1 4.23Å; I59-L93 PolarHBondContact N-O 3.05Å; V91-L93 HydrophobicContact CG1-CD2 3.67Å; V91-L93 HydrophobicContact CG1-CG 3.98Å; L93-L98 HydrophobicContact CB-CD1 4.42Å; L93-L98 HydrophobicContact CB-CD2 4.12Å; L93-L98 HydrophobicContact CD1-CD1 4.42Å; L93-L98 HydrophobicContact CD1-CD2 4.18Å; L93-L98 HydrophobicContact CD2-CD2 4.12Å; L93-L98 HydrophobicContact CG-CD2 4.36Å; L93-L114 HydrophobicContact CD1-CD2 3.87Å; L93-F118 HydrophobicContact CD1-CE2 3.65Å; L93-F118 HydrophobicContact CD1-CZ 3.92Å; L93-F118 HydrophobicContact CD2-CZ 4.41Å
94	L	98.1	Very high	93.6	Very high	1 Å²	1	52.2 Å²	52.2	1%	0.005	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	114.5	169.9	-52.4	-173.2	0	0	0	108.1	I59 A71 E72 R75 H96 T97	I59-L94 HydrophobicContact CB-CD2 3.95Å; I59-L94 HydrophobicContact CD1-CD2 3.8Å; I59-L94 HydrophobicContact CG1-CD2 4.31Å; I59-L94 HydrophobicContact CG2-CD2 4.5Å; A71-L94 HydrophobicContact CB-CD2 4.11Å; E72-L94 HydrophobicContact CG-CD1 4.28Å; E72-L94 VanDerWaalsContact OE1-CD1 3.27Å; E72-L94 WeakPolarHBondContact OE1-CD1 3.35Å; R75-L94 HydrophobicContact CB-CD2 4.34Å; L94-H96 VanDerWaalsContact C-N 3.26Å; L94-H96 PolarHBondContact O-N 2.73Å; L94-H96 VanDerWaalsContact O-N 3.16Å; L94-T97 HydrophobicContact CB-CG2 4.12Å; L94-T97 PolarHBondContact O-N 2.77Å; L94-T97 PolarHBondContact O-OG1 3.01Å
95	L	97.1	Very high	93.5	Very high	12 Å²	12	48.2 Å²	48.2	6%	0.063	26%	0.262	C	S	.	.	H	α-helix	trans	-48.6	-46.7	-173.9	-176.8	64.8	0	0	0	112.9	I59 Q60 S61 T97 L98 D104 W105 L110	I59-L95 WeakPolarHBondContact O-CB 3.33Å; I59-L95 PolarHBondContact O-N 3.01Å; Q60-L95 HydrophobicContact CB-CD2 4.45Å; S61-L95 PolarHBondContact OG-N 2.96Å; S61-L95 VanDerWaalsContact OG-N 3.15Å; L95-T97 PolarHBondContact O-N 2.82Å; L95-L98 HydrophobicContact CD1-CD1 4.24Å; L95-L98 WeakPolarHBondContact O-CB 3.37Å; L95-L98 PolarHBondContact O-N 2.91Å; L95-D104 HydrophobicContact CD1-CB 4.22Å; L95-W105 HydrophobicContact CD2-CB 4.11Å; L95-L110 HydrophobicContact CD1-CD2 3.61Å
96	H	95	Very high	93.5	Very high	36 Å²	36	46.1 Å²	46.1	17%	0.167	25%	0.252	C	S	.	.	H	α-helix	trans	-62	-15.6	-178.5	73.2	-86.6	0	0	0	115.1	S61 R63 L94	S61-H96 WeakPolarHBondContact CB-ND1 3.35Å; S61-H96 PolarHBondContact OG-ND1 2.67Å; R63-H96 HydrophobicContact CG-CB 3.87Å; L94-H96 VanDerWaalsContact C-N 3.26Å; L94-H96 PolarHBondContact O-N 2.73Å; L94-H96 VanDerWaalsContact O-N 3.16Å
97	T	95.5	Very high	93.5	Very high	88 Å²	88	37.5 Å²	37.5	54%	0.54	21%	0.211	S	C	.	.	H	α-helix	trans	-99.9	-9.1	178.3	66.9	0	0	0	0	113.7	L94 L95	L94-T97 HydrophobicContact CB-CG2 4.12Å; L94-T97 PolarHBondContact O-N 2.77Å; L94-T97 PolarHBondContact O-OG1 3.01Å; L95-T97 PolarHBondContact O-N 2.82Å
98	L	93.4	Very high	93.7	Very high	18 Å²	18	35.4 Å²	35.4	9%	0.094	20%	0.202	C	C	.	.	H	α-helix	trans	-71	-49.7	-172.8	-67.7	-177.7	0	0	0	110.8	L93 L95 L110 R113	L93-L98 HydrophobicContact CB-CD1 4.42Å; L93-L98 HydrophobicContact CB-CD2 4.12Å; L93-L98 HydrophobicContact CD1-CD1 4.42Å; L93-L98 HydrophobicContact CD1-CD2 4.18Å; L93-L98 HydrophobicContact CD2-CD2 4.12Å; L93-L98 HydrophobicContact CG-CD2 4.36Å; L95-L98 HydrophobicContact CD1-CD1 4.24Å; L95-L98 WeakPolarHBondContact O-CB 3.37Å; L95-L98 PolarHBondContact O-N 2.91Å; L98-L110 HydrophobicContact CD1-CD1 3.81Å; L98-L110 HydrophobicContact CD1-CD2 3.77Å; L98-L110 HydrophobicContact CD1-CG 4.42Å; L98-R113 PolarHBondContact O-NH1 3.5Å; L98-R113 PolarHBondContact O-NH2 2.88Å
99	S	90.2	Very high	93.7	Very high	32 Å²	32	34.7 Å²	34.7	22%	0.224	20%	0.196	C	C	.	.			trans	-152.6	170.8	179.1	90	0	0	0	0	112.4	R63 N101 D104	R63-S99 PolarHBondContact NH2-O 3.39Å; S99-N101 VanDerWaalsContact C-N 3.27Å; S99-N101 WeakPolarHBondContact OG-CB 3.2Å; S99-N101 PolarHBondContact OG-N 3.4Å; S99-D104 WeakPolarHBondContact CB-OD2 3.46Å; S99-D104 PolarHBondContact OG-OD2 3.3Å
100	D	86.2	Confident	93.7	Very high	144 Å²	144	30.3 Å²	30.3	77%	0.77	17%	0.168	S	C	*	.	S	Bend	trans	-80.8	-7.7	170.7	-69.8	-36.2	0	0	0	113.2	R63 E102	R63-D100 VanDerWaalsContact NH2-CA 3.32Å; R63-D100 PolarHBondContact NH2-O 3.05Å; R63-D100 IonicContact NH2-OD1 3.46Å; D100-E102 PolarHBondContact O-N 3.04Å
101	N	87.3	Confident	93.7	Very high	68 Å²	68	30 Å²	30	36%	0.364	17%	0.166	S	C	.	.			trans	-67.7	114.2	-178.4	-177.8	19.6	0	0	0	110.9	S99 G103 D104	S99-N101 VanDerWaalsContact C-N 3.27Å; S99-N101 WeakPolarHBondContact OG-CB 3.2Å; S99-N101 PolarHBondContact OG-N 3.4Å; N101-G103 PolarHBondContact O-N 2.79Å; N101-G103 PolarHBondContact OD1-N 3.18Å; N101-G103 VanDerWaalsContact OD1-N 3.07Å; N101-D104 PolarHBondContact ND2-OD1 2.99Å; N101-D104 PolarHBondContact O-N 3.05Å; N101-D104 VanDerWaalsContact O-N 3.15Å
102	E	85.8	Confident	93.5	Very high	30 Å²	30	28.3 Å²	28.3	14%	0.14	16%	0.156	C	C	.	.	G	3₁₀ helix	trans	-59.6	-28.1	177	-170.5	61.5	-163.6	0	0	111.6	D100 D104 W105 L383 S389	D100-E102 PolarHBondContact O-N 3.04Å; E102-D104 PolarHBondContact O-N 3.03Å; E102-W105 PolarHBondContact O-NE1 3.39Å; E102-L383 HydrophobicContact CG-CD2 4.42Å; E102-S389 VanDerWaalsContact CG-OG 3.32Å; E102-S389 WeakPolarHBondContact CG-OG 3.36Å; E102-S389 VanDerWaalsContact OE1-CB 3.24Å; E102-S389 WeakPolarHBondContact OE1-CB 3.2Å; E102-S389 PolarHBondContact OE1-OG 3.41Å
103	G	89.7	Confident	93.4	Very high	1 Å²	1	31.6 Å²	31.6	1%	0.01	17%	0.167	C	C	.	.	G	3₁₀ helix	trans	-67.4	-18.2	179	0	0	0	0	0	115.1	N101 W105 S106 P109	N101-G103 PolarHBondContact O-N 2.79Å; N101-G103 PolarHBondContact OD1-N 3.18Å; N101-G103 VanDerWaalsContact OD1-N 3.07Å; G103-W105 PolarHBondContact O-N 2.88Å; G103-W105 VanDerWaalsContact O-N 3.12Å; G103-S106 WeakPolarHBondContact O-CB 3.24Å; G103-S106 PolarHBondContact O-N 2.7Å; G103-S106 PolarHBondContact O-OG 2.83Å; G103-P109 WeakPolarHBondContact O-CG 3.44Å
104	D	92.8	Very high	93.4	Very high	11 Å²	11	30.4 Å²	30.4	6%	0.059	16%	0.161	C	C	.	.	G	3₁₀ helix	trans	-63.3	-25.2	-173	-75	5.6	0	0	0	112.7	L95 S99 N101 E102 S106 I107	L95-D104 HydrophobicContact CD1-CB 4.22Å; S99-D104 WeakPolarHBondContact CB-OD2 3.46Å; S99-D104 PolarHBondContact OG-OD2 3.3Å; N101-D104 PolarHBondContact ND2-OD1 2.99Å; N101-D104 PolarHBondContact O-N 3.05Å; N101-D104 VanDerWaalsContact O-N 3.15Å; E102-D104 PolarHBondContact O-N 3.03Å; D104-S106 PolarHBondContact O-N 3.25Å; D104-I107 PolarHBondContact O-N 3.35Å
105	W	94.2	Very high	93.4	Very high	24 Å²	24	31.5 Å²	31.5	9%	0.091	17%	0.169	C	C	.	.	G	3₁₀ helix	trans	-64.8	-21	174.9	78.1	-105.2	0	0	0	113.5	L95 E102 G103 I107 T211 L214 R378 L383 S389	L95-W105 HydrophobicContact CD2-CB 4.11Å; E102-W105 PolarHBondContact O-NE1 3.39Å; G103-W105 PolarHBondContact O-N 2.88Å; G103-W105 VanDerWaalsContact O-N 3.12Å; W105-I107 PolarHBondContact O-N 2.9Å; W105-T211 HydrophobicContact CH2-CG2 3.48Å; W105-T211 VanDerWaalsContact CH2-CG2 3.48Å; W105-T211 HydrophobicContact CZ2-CG2 4.19Å; W105-T211 HydrophobicContact CZ3-CG2 3.89Å; W105-L214 HydrophobicContact CE3-CD2 3.92Å; W105-L214 HydrophobicContact CZ3-CB 4.34Å; W105-L214 HydrophobicContact CZ3-CD2 4Å; W105-L214 VanDerWaalsContact O-CD2 3.27Å; W105-L214 WeakPolarHBondContact O-CD2 3.31Å; W105-R378 VanDerWaalsContact CD2-NE 3.35Å; W105-R378 VanDerWaalsContact CE2-NE 3.32Å; W105-R378 VanDerWaalsContact CE3-NH2 3.29Å; W105-R378 HydrophobicContact CH2-CG 4.27Å; W105-R378 HydrophobicContact CZ2-CG 3.89Å; W105-L383 HydrophobicContact CD2-CD1 4.46Å; W105-L383 HydrophobicContact CH2-CD1 4.44Å; W105-L383 HydrophobicContact CZ2-CD1 3.56Å; W105-S389 PolarHBondContact NE1-OG 2.77Å
106	S	94.6	Very high	93.4	Very high	7 Å²	7	35.9 Å²	35.9	5%	0.049	20%	0.2	C	C	.	.	G	3₁₀ helix	trans	-81.4	5.6	174.6	70.1	0	0	0	0	114	G103 D104 L108 P109 L214	G103-S106 WeakPolarHBondContact O-CB 3.24Å; G103-S106 PolarHBondContact O-N 2.7Å; G103-S106 PolarHBondContact O-OG 2.83Å; D104-S106 PolarHBondContact O-N 3.25Å; S106-L108 PolarHBondContact O-N 3.17Å; S106-P109 WeakPolarHBondContact OG-CD 3.37Å; S106-P109 WeakPolarHBondContact OG-CG 3.37Å; S106-L214 VanDerWaalsContact O-CD1 3.23Å; S106-L214 WeakPolarHBondContact O-CD1 3.35Å
107	I	95.4	Very high	93.5	Very high	1 Å²	1	38.6 Å²	38.6	1%	0.005	21%	0.213	C	C	.	.	S	Bend	trans	64.8	-45.8	174.6	-54.1	-59.9	0	0	0	115.3	Q60 D104 W105 L110 L111 F127 W187 L214 V218	Q60-I107 HydrophobicContact CG-CD1 4.16Å; D104-I107 PolarHBondContact O-N 3.35Å; W105-I107 PolarHBondContact O-N 2.9Å; I107-L110 WeakPolarHBondContact O-CB 3.42Å; I107-L110 PolarHBondContact O-N 3.26Å; I107-L111 HydrophobicContact CG2-CD2 4.21Å; I107-L111 PolarHBondContact O-N 3.45Å; I107-F127 HydrophobicContact CD1-CD1 4.05Å; I107-F127 HydrophobicContact CD1-CE1 4.12Å; I107-F127 HydrophobicContact CG2-CD1 4.42Å; I107-F127 HydrophobicContact CG2-CE1 3.78Å; I107-F127 HydrophobicContact CG2-CZ 4.01Å; I107-W187 HydrophobicContact CG1-CZ2 4.39Å; I107-W187 HydrophobicContact CG2-CH2 3.95Å; I107-W187 HydrophobicContact CG2-CZ2 4.11Å; I107-L214 HydrophobicContact CG1-CD2 4.42Å; I107-V218 HydrophobicContact CB-CG2 4.44Å
108	L	94.5	Very high	93.6	Very high	21 Å²	21	35.5 Å²	35.5	11%	0.11	19%	0.192	C	C	.	.	G	3₁₀ helix	trans	-57.9	-48.9	-178.5	-58	179.8	0	0	0	112	S106 L110 L111 I201 L206 V218 Y221	S106-L108 PolarHBondContact O-N 3.17Å; L108-L110 PolarHBondContact O-N 3.29Å; L108-L111 HydrophobicContact CD2-CD1 4.01Å; L108-L111 WeakPolarHBondContact O-CG 3.41Å; L108-L111 PolarHBondContact O-N 3.2Å; L108-I201 HydrophobicContact CB-CD1 4.16Å; L108-I201 WeakPolarHBondContact O-CD1 3.33Å; L108-L206 HydrophobicContact CB-CD1 3.67Å; L108-L206 HydrophobicContact CB-CD2 4.08Å; L108-L206 HydrophobicContact CD1-CD2 4.01Å; L108-V218 HydrophobicContact CD2-CG2 4.31Å; L108-V218 HydrophobicContact CG-CG2 4.38Å; L108-Y221 HydrophobicContact CD1-CD1 4.2Å; L108-Y221 HydrophobicContact CD1-CD2 4.07Å; L108-Y221 HydrophobicContact CD1-CG 3.78Å; L108-Y221 HydrophobicContact CD2-CD1 3.65Å; L108-Y221 HydrophobicContact CD2-CE1 4.28Å; L108-Y221 HydrophobicContact CD2-CG 4.03Å
109	P	92.8	Very high	93.7	Very high	26 Å²	26	35.2 Å²	35.2	17%	0.169	19%	0.193	C	C	.	.	G	3₁₀ helix	trans	-60.1	-22.1	177.7	-24.2	36.3	0	0	0	114	G103 S106 L206	G103-P109 WeakPolarHBondContact O-CG 3.44Å; S106-P109 WeakPolarHBondContact OG-CD 3.37Å; S106-P109 WeakPolarHBondContact OG-CG 3.37Å; P109-L206 HydrophobicContact CG-CD1 3.79Å
110	L	93.6	Very high	94	Very high	1 Å²	1	43.1 Å²	43.1	1%	0.005	22%	0.224	C	C	.	.	G	3₁₀ helix	trans	-82.4	-20.3	-179.4	179.3	64.2	0	0	0	112.7	L95 L98 I107 L108 R113 L114	L95-L110 HydrophobicContact CD1-CD2 3.61Å; L98-L110 HydrophobicContact CD1-CD1 3.81Å; L98-L110 HydrophobicContact CD1-CD2 3.77Å; L98-L110 HydrophobicContact CD1-CG 4.42Å; I107-L110 WeakPolarHBondContact O-CB 3.42Å; I107-L110 PolarHBondContact O-N 3.26Å; L108-L110 PolarHBondContact O-N 3.29Å; L110-R113 HydrophobicContact CD1-CB 4.33Å; L110-R113 WeakPolarHBondContact O-CB 3.42Å; L110-R113 PolarHBondContact O-N 3.47Å; L110-R113 VanDerWaalsContact O-N 3.16Å; L110-L114 HydrophobicContact CD1-CG 4.4Å; L110-L114 HydrophobicContact CD2-CD1 3.95Å; L110-L114 HydrophobicContact CD2-CG 4.31Å; L110-L114 HydrophobicContact CG-CD1 3.85Å; L110-L114 HydrophobicContact CG-CD2 4.43Å; L110-L114 HydrophobicContact CG-CG 3.87Å; L110-L114 PolarHBondContact O-N 3.35Å; L110-L114 VanDerWaalsContact O-N 3.08Å
111	L	95.9	Very high	94.4	Very high	1 Å²	1	42.8 Å²	42.8	1%	0.005	22%	0.222	C	C	.	.	H	α-helix	trans	-59.9	-42.3	-173.1	-60.1	-175.3	0	0	0	114.4	I107 L108 R113 L114 S115 I194 L197 I201	I107-L111 HydrophobicContact CG2-CD2 4.21Å; I107-L111 PolarHBondContact O-N 3.45Å; L108-L111 HydrophobicContact CD2-CD1 4.01Å; L108-L111 WeakPolarHBondContact O-CG 3.41Å; L108-L111 PolarHBondContact O-N 3.2Å; L111-R113 VanDerWaalsContact C-N 3.28Å; L111-R113 PolarHBondContact O-N 3.07Å; L111-L114 HydrophobicContact CD2-CD1 4.32Å; L111-L114 PolarHBondContact O-N 3.42Å; L111-L114 VanDerWaalsContact O-N 3.17Å; L111-S115 WeakPolarHBondContact O-CB 3.29Å; L111-S115 PolarHBondContact O-N 2.96Å; L111-I194 HydrophobicContact CD2-CD1 3.81Å; L111-L197 HydrophobicContact CD1-CB 3.74Å; L111-L197 HydrophobicContact CD1-CD1 4Å; L111-I201 HydrophobicContact CB-CD1 4.15Å; L111-I201 HydrophobicContact CD1-CD1 4.07Å; L111-I201 HydrophobicContact CG-CD1 4.42Å
112	P	95.6	Very high	94.8	Very high	25 Å²	25	40.4 Å²	40.4	16%	0.162	21%	0.211	C	C	.	.	H	α-helix	trans	-56.1	-41.6	175.4	-27.7	37	0	0	0	113.1	S115 S116 I201 E202	P112-S115 PolarHBondContact O-N 3.18Å; P112-S116 WeakPolarHBondContact O-CB 3.46Å; P112-S116 PolarHBondContact O-N 3.47Å; P112-I201 HydrophobicContact CG-CB 4.12Å; P112-I201 HydrophobicContact CG-CG2 3.75Å; P112-E202 HydrophobicContact CB-CG 4.27Å; P112-E202 HydrophobicContact CG-CG 4.37Å
113	R	95.7	Very high	95.4	Very high	90 Å²	90	39.3 Å²	39.3	34%	0.34	21%	0.206	S	C	.	.	H	α-helix	trans	-65.9	-44.3	176.5	178.8	176.4	178.1	163.3	-5.8	112	L98 L110 L111 S116 Q117	L98-R113 PolarHBondContact O-NH1 3.5Å; L98-R113 PolarHBondContact O-NH2 2.88Å; L110-R113 HydrophobicContact CD1-CB 4.33Å; L110-R113 WeakPolarHBondContact O-CB 3.42Å; L110-R113 PolarHBondContact O-N 3.47Å; L110-R113 VanDerWaalsContact O-N 3.16Å; L111-R113 VanDerWaalsContact C-N 3.28Å; L111-R113 PolarHBondContact O-N 3.07Å; R113-S116 PolarHBondContact O-N 3.41Å; R113-Q117 WeakPolarHBondContact O-CB 3.46Å; R113-Q117 WeakPolarHBondContact O-CG 3.44Å; R113-Q117 PolarHBondContact O-N 2.91Å
114	L	97.3	Very high	95.8	Very high	1 Å²	1	39.3 Å²	39.3	1%	0.005	21%	0.206	C	C	.	.	H	α-helix	trans	-64	-42.1	178.5	-67.6	175.2	0	0	0	111.7	V58 L93 L110 L111 Q117 F118 I125 F127	V58-L114 HydrophobicContact CG2-CD2 4.34Å; L93-L114 HydrophobicContact CD1-CD2 3.87Å; L110-L114 HydrophobicContact CD1-CG 4.4Å; L110-L114 HydrophobicContact CD2-CD1 3.95Å; L110-L114 HydrophobicContact CD2-CG 4.31Å; L110-L114 HydrophobicContact CG-CD1 3.85Å; L110-L114 HydrophobicContact CG-CD2 4.43Å; L110-L114 HydrophobicContact CG-CG 3.87Å; L110-L114 PolarHBondContact O-N 3.35Å; L110-L114 VanDerWaalsContact O-N 3.08Å; L111-L114 HydrophobicContact CD2-CD1 4.32Å; L111-L114 PolarHBondContact O-N 3.42Å; L111-L114 VanDerWaalsContact O-N 3.17Å; L114-Q117 PolarHBondContact O-N 2.92Å; L114-F118 HydrophobicContact CD2-CD2 4.09Å; L114-F118 HydrophobicContact CD2-CE2 3.98Å; L114-F118 WeakPolarHBondContact O-CB 3.42Å; L114-F118 WeakPolarHBondContact O-CD2 3.4Å; L114-F118 PolarHBondContact O-N 3.06Å; L114-I125 HydrophobicContact CB-CD1 3.68Å; L114-I125 HydrophobicContact CD1-CD1 4.01Å; L114-I125 HydrophobicContact CD2-CD1 4.42Å; L114-I125 HydrophobicContact CG-CD1 4.24Å; L114-F127 HydrophobicContact CD1-CE1 4.22Å; L114-F127 HydrophobicContact CD1-CZ 4.08Å
115	S	98.1	Very high	96.1	Very high	24 Å²	24	38.8 Å²	38.8	17%	0.168	20%	0.203	C	C	.	.	H	α-helix	trans	-59.1	-50.3	172.9	173	0	0	0	0	111.3	L111 P112 Q117 G119 N195	L111-S115 WeakPolarHBondContact O-CB 3.29Å; L111-S115 PolarHBondContact O-N 2.96Å; P112-S115 PolarHBondContact O-N 3.18Å; S115-Q117 VanDerWaalsContact C-N 3.28Å; S115-Q117 PolarHBondContact O-N 3.31Å; S115-G119 WeakPolarHBondContact O-CA 3.29Å; S115-G119 PolarHBondContact O-N 2.93Å; S115-N195 PolarHBondContact OG-OD1 2.91Å; S115-N195 VanDerWaalsContact OG-OD1 3.09Å
116	S	97.6	Very high	96.3	Very high	104 Å²	104	37.6 Å²	37.6	73%	0.727	20%	0.199	S	C	*	.	H	α-helix	trans	-60.2	-36.6	179.5	177	0	0	0	0	113.2	P112 R113	P112-S116 WeakPolarHBondContact O-CB 3.46Å; P112-S116 PolarHBondContact O-N 3.47Å; R113-S116 PolarHBondContact O-N 3.41Å
117	Q	97.3	Very high	96.5	Very high	94 Å²	94	37.3 Å²	37.3	44%	0.439	20%	0.196	S	C	.	.	H	α-helix	trans	-85.7	-38.7	-176.2	-70.3	-173.5	-9.4	0	0	113.2	R113 L114 S115	R113-Q117 WeakPolarHBondContact O-CB 3.46Å; R113-Q117 WeakPolarHBondContact O-CG 3.44Å; R113-Q117 PolarHBondContact O-N 2.91Å; L114-Q117 PolarHBondContact O-N 2.92Å; S115-Q117 VanDerWaalsContact C-N 3.28Å; S115-Q117 PolarHBondContact O-N 3.31Å
118	F	97.7	Very high	96.7	Very high	23 Å²	23	37.2 Å²	37.2	10%	0.101	20%	0.196	C	C	.	.	H	α-helix	trans	-121.2	-11.1	-168.1	-52.9	-67.4	0	0	0	113.9	V56 V91 L93 L114 K120 N121 S122 I191	V56-F118 HydrophobicContact CG1-CD2 4.26Å; V56-F118 HydrophobicContact CG1-CE2 4.22Å; V56-F118 HydrophobicContact CG1-CG 4.46Å; V56-F118 HydrophobicContact CG1-CZ 4.34Å; V56-F118 HydrophobicContact CG2-CB 4.06Å; V56-F118 HydrophobicContact CG2-CD1 3.66Å; V56-F118 HydrophobicContact CG2-CD2 4.34Å; V56-F118 HydrophobicContact CG2-CE1 4.22Å; V56-F118 HydrophobicContact CG2-CG 3.74Å; V91-F118 HydrophobicContact CB-CE1 4.35Å; V91-F118 HydrophobicContact CG1-CE1 3.93Å; V91-F118 HydrophobicContact CG1-CZ 3.98Å; V91-F118 HydrophobicContact CG2-CE1 4.2Å; L93-F118 HydrophobicContact CD1-CE2 3.65Å; L93-F118 HydrophobicContact CD1-CZ 3.92Å; L93-F118 HydrophobicContact CD2-CZ 4.41Å; L114-F118 HydrophobicContact CD2-CD2 4.09Å; L114-F118 HydrophobicContact CD2-CE2 3.98Å; L114-F118 WeakPolarHBondContact O-CB 3.42Å; L114-F118 WeakPolarHBondContact O-CD2 3.4Å; L114-F118 PolarHBondContact O-N 3.06Å; F118-K120 PolarHBondContact O-N 2.94Å; F118-N121 PolarHBondContact O-N 3.38Å; F118-S122 WeakPolarHBondContact O-CB 3.26Å; F118-S122 PolarHBondContact O-N 3.04Å; F118-S122 VanDerWaalsContact O-N 3.12Å; F118-I191 HydrophobicContact CB-CD1 4.41Å
119	G	96.5	Very high	96.8	Very high	11 Å²	11	38.1 Å²	38.1	11%	0.113	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-11	-172.4	0	0	0	0	0	116.3	S115 I191 N195	S115-G119 WeakPolarHBondContact O-CA 3.29Å; S115-G119 PolarHBondContact O-N 2.93Å; G119-I191 VanDerWaalsContact O-CG2 3.24Å; G119-I191 WeakPolarHBondContact O-CG2 3.46Å; G119-N195 VanDerWaalsContact CA-OD1 3.29Å; G119-N195 WeakPolarHBondContact CA-OD1 3.39Å; G119-N195 PolarHBondContact O-ND2 3.27Å; G119-N195 VanDerWaalsContact O-ND2 3.07Å
120	K	95.4	Very high	96.9	Very high	199 Å²	199	37.7 Å²	37.7	87%	0.865	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	-110.7	-22.8	179.6	-63.8	-178.4	-178.5	176	0	114.5	F118	F118-K120 PolarHBondContact O-N 2.94Å
121	N	94.1	Very high	96.8	Very high	136 Å²	136	40.5 Å²	40.5	73%	0.727	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	-124.3	-1.3	-165.9	-64.3	-15.1	0	0	0	113.5	F118	F118-N121 PolarHBondContact O-N 3.38Å
122	S	97.3	Very high	96.9	Very high	19 Å²	19	40.5 Å²	40.5	13%	0.133	21%	0.21	C	C	.	.			trans	-121.2	164.3	179.5	-58.7	0	0	0	0	110.2	E54 V56 F118 I191	E54-S122 WeakPolarHBondContact O-CB 3.28Å; V56-S122 WeakPolarHBondContact CG2-OG 3.43Å; F118-S122 WeakPolarHBondContact O-CB 3.26Å; F118-S122 PolarHBondContact O-N 3.04Å; F118-S122 VanDerWaalsContact O-N 3.12Å; S122-I191 WeakPolarHBondContact O-CG1 3.33Å
123	S	97.7	Very high	96.9	Very high	6 Å²	6	41.4 Å²	41.4	4%	0.042	21%	0.21	C	C	.	.	S	Bend	trans	-107	-34.6	175.6	-79.1	0	0	0	0	111.8	E54 R148 I191	E54-S123 PolarHBondContact O-N 3.32Å; E54-S123 PolarHBondContact OE1-OG 3.4Å; S123-R148 VanDerWaalsContact OG-CD 3.3Å; S123-R148 WeakPolarHBondContact OG-CD 3.48Å; S123-R148 PolarHBondContact OG-NE 3.19Å; S123-I191 PolarHBondContact O-N 3.03Å
124	W	98.4	Very high	97	Very high	1 Å²	1	37.3 Å²	37.3	0%	0.004	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	147.3	-172.4	-64.1	97.5	0	0	0	112.5	E54 V55 V56 L143 F146 W152 L154 A188	E54-W124 PolarHBondContact O-N 2.95Å; E54-W124 VanDerWaalsContact O-N 3.17Å; V55-W124 HydrophobicContact CG1-CB 4.28Å; V55-W124 HydrophobicContact CG2-CB 4.39Å; V56-W124 PolarHBondContact N-O 3.03Å; W124-L143 HydrophobicContact CB-CD1 4.4Å; W124-L143 HydrophobicContact CD2-CD2 3.95Å; W124-L143 HydrophobicContact CE3-CD2 4.09Å; W124-L143 HydrophobicContact CG-CD1 4.24Å; W124-L143 HydrophobicContact CG-CD2 4.28Å; W124-L143 HydrophobicContact CZ3-CD2 4.5Å; W124-F146 HydrophobicContact CH2-CB 3.73Å; W124-F146 HydrophobicContact CH2-CG 4.36Å; W124-F146 HydrophobicContact CZ2-CB 3.68Å; W124-W152 HydrophobicContact CH2-CB 3.65Å; W124-W152 AromaticContact CH2-CD1 3.7Å; W124-W152 AromaticContact CH2-CG 3.83Å; W124-W152 HydrophobicContact CH2-CG 3.83Å; W124-W152 HydrophobicContact CZ3-CB 3.75Å; W124-W152 HydrophobicContact CZ3-CG 4.42Å; W124-L154 HydrophobicContact CE3-CD1 4.38Å; W124-L154 HydrophobicContact CH2-CD1 3.69Å; W124-L154 HydrophobicContact CH2-CG 4.37Å; W124-L154 HydrophobicContact CZ3-CD1 3.53Å; W124-L154 HydrophobicContact CZ3-CG 4Å; W124-A188 HydrophobicContact CE3-CB 4.16Å
125	I	98.6	Very high	97	Very high	0 Å²	0	40 Å²	40	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	119.7	159.6	-54.6	-169	0	0	0	108.1	V56 V58 L114 F127 A188 L189 I191 I194	V56-I125 HydrophobicContact CB-CG1 4.37Å; V56-I125 CarbonylContact O-C 3.59Å; V56-I125 WeakPolarHBondContact O-CA 3.36Å; V58-I125 HydrophobicContact CG2-CG2 3.71Å; L114-I125 HydrophobicContact CB-CD1 3.68Å; L114-I125 HydrophobicContact CD1-CD1 4.01Å; L114-I125 HydrophobicContact CD2-CD1 4.42Å; L114-I125 HydrophobicContact CG-CD1 4.24Å; I125-F127 HydrophobicContact CB-CE2 4.15Å; I125-F127 HydrophobicContact CB-CZ 4.43Å; I125-F127 HydrophobicContact CG2-CD2 4.21Å; I125-F127 HydrophobicContact CG2-CE1 4.16Å; I125-F127 HydrophobicContact CG2-CE2 3.61Å; I125-F127 HydrophobicContact CG2-CZ 3.58Å; I125-A188 CarbonylContact O-C 3.59Å; I125-A188 VanDerWaalsContact O-CA 3.26Å; I125-A188 WeakPolarHBondContact O-CA 3.4Å; I125-L189 PolarHBondContact N-O 3.36Å; I125-L189 PolarHBondContact O-N 3.37Å; I125-I191 HydrophobicContact CD1-CD1 4.04Å; I125-I191 HydrophobicContact CG1-CD1 3.79Å; I125-I194 HydrophobicContact CB-CD1 4.49Å; I125-I194 HydrophobicContact CD1-CD1 3.93Å; I125-I194 HydrophobicContact CD1-CG1 3.9Å; I125-I194 HydrophobicContact CD1-CG2 4.17Å; I125-I194 HydrophobicContact CG1-CD1 4.44Å; I125-I194 HydrophobicContact CG1-CG1 4.17Å
126	M	98.7	Very high	96.9	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	119.1	176.5	-177.4	72.6	-165.1	0	0	109.5	V55 V56 F57 V58 L128 L139 W187 A188 L237	V55-M126 HydrophobicContact CG1-CB 4.26Å; V56-M126 PolarHBondContact O-N 3.43Å; F57-M126 CarbonylContact C-O 3.45Å; F57-M126 WeakPolarHBondContact CA-O 3.23Å; F57-M126 HydrophobicContact CD1-CB 3.79Å; F57-M126 HydrophobicContact CD1-CG 3.88Å; F57-M126 HydrophobicContact CE1-CB 3.96Å; F57-M126 HydrophobicContact CE1-CG 3.88Å; V58-M126 PolarHBondContact N-O 3.25Å; M126-L128 HydrophobicContact CE-CD2 3.59Å; M126-L128 HydrophobicContact CG-CD2 4.11Å; M126-L128 HydrophobicContact CG-CG 4.18Å; M126-L139 HydrophobicContact CE-CD1 4.32Å; M126-L139 HydrophobicContact CG-CD2 4.18Å; M126-L139 HydrophobicContact SD-CD1 4.19Å; M126-L139 HydrophobicContact SD-CD2 4.34Å; M126-W187 VanDerWaalsContact SD-O 3.38Å; M126-A188 HydrophobicContact SD-CB 3.81Å; M126-L237 HydrophobicContact CE-CD2 4.12Å
127	F	98.8	Very high	96.9	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	133.2	175.9	-61.7	-90.8	0	0	0	109.9	V58 I107 L114 I125 G186 W187 L189	V58-F127 HydrophobicContact CB-CD1 3.76Å; V58-F127 HydrophobicContact CB-CE1 4.02Å; V58-F127 HydrophobicContact CG1-CD1 3.95Å; V58-F127 HydrophobicContact CG1-CE1 4.13Å; V58-F127 HydrophobicContact CG2-CD1 4.35Å; V58-F127 HydrophobicContact CG2-CE1 4.15Å; V58-F127 WeakPolarHBondContact O-CA 3.26Å; I107-F127 HydrophobicContact CD1-CD1 4.05Å; I107-F127 HydrophobicContact CD1-CE1 4.12Å; I107-F127 HydrophobicContact CG2-CD1 4.42Å; I107-F127 HydrophobicContact CG2-CE1 3.78Å; I107-F127 HydrophobicContact CG2-CZ 4.01Å; L114-F127 HydrophobicContact CD1-CE1 4.22Å; L114-F127 HydrophobicContact CD1-CZ 4.08Å; I125-F127 HydrophobicContact CB-CE2 4.15Å; I125-F127 HydrophobicContact CB-CZ 4.43Å; I125-F127 HydrophobicContact CG2-CD2 4.21Å; I125-F127 HydrophobicContact CG2-CE1 4.16Å; I125-F127 HydrophobicContact CG2-CE2 3.61Å; I125-F127 HydrophobicContact CG2-CZ 3.58Å; F127-G186 WeakPolarHBondContact O-CA 3.43Å; F127-W187 HydrophobicContact CB-CD2 4Å; F127-W187 VanDerWaalsContact CB-CE2 3.49Å; F127-W187 HydrophobicContact CB-CG 4.17Å; F127-W187 HydrophobicContact CB-CZ2 3.95Å; F127-W187 VanDerWaalsContact CB-NE1 3.31Å; F127-W187 HydrophobicContact CD1-CZ2 4.11Å; F127-W187 AromaticContact CD2-CD2 3.88Å; F127-W187 HydrophobicContact CD2-CD2 3.88Å; F127-W187 AromaticContact CD2-CE2 3.74Å; F127-W187 AromaticContact CD2-CE3 3.9Å; F127-W187 HydrophobicContact CD2-CE3 3.9Å; F127-W187 AromaticContact CD2-CH2 3.73Å; F127-W187 HydrophobicContact CD2-CH2 3.73Å; F127-W187 AromaticContact CD2-CZ2 3.67Å; F127-W187 HydrophobicContact CD2-CZ2 3.67Å; F127-W187 AromaticContact CD2-CZ3 3.87Å; F127-W187 HydrophobicContact CD2-CZ3 3.87Å; F127-W187 HydrophobicContact CE2-CE3 4.44Å; F127-W187 AromaticContact CE2-CH2 3.83Å; F127-W187 HydrophobicContact CE2-CH2 3.83Å; F127-W187 HydrophobicContact CE2-CZ2 4.17Å; F127-W187 AromaticContact CE2-CZ3 4Å; F127-W187 HydrophobicContact CE2-CZ3 4Å; F127-W187 HydrophobicContact CG-CD2 4.21Å; F127-W187 AromaticContact CG-CE2 3.67Å; F127-W187 HydrophobicContact CG-CH2 4.16Å; F127-W187 AromaticContact CG-CZ2 3.64Å; F127-W187 HydrophobicContact CG-CZ2 3.64Å; F127-W187 HydrophobicContact CZ-CH2 4.33Å; F127-W187 PolarHBondContact N-O 3.13Å; F127-W187 PolarHBondContact O-N 3.39Å; F127-W187 VanDerWaalsContact O-N 3.08Å; F127-L189 HydrophobicContact CE2-CD1 4.05Å; F127-L189 HydrophobicContact CE2-CG 4.18Å
128	L	98.6	Very high	96.9	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	144	-177.6	-61.5	172.1	0	0	0	109.8	F57 V58 I59 Q60 L74 L78 M126 T132 V134	F57-L128 HydrophobicContact CD1-CD1 3.69Å; F57-L128 HydrophobicContact CD1-CG 4.49Å; F57-L128 HydrophobicContact CE1-CD1 4.31Å; V58-L128 PolarHBondContact O-N 3.03Å; I59-L128 CarbonylContact C-O 3.56Å; I59-L128 WeakPolarHBondContact CA-O 3.44Å; Q60-L128 WeakPolarHBondContact CB-O 3.35Å; Q60-L128 PolarHBondContact N-O 3.41Å; L74-L128 HydrophobicContact CD2-CB 4.2Å; L74-L128 HydrophobicContact CD2-CD1 4.25Å; L78-L128 HydrophobicContact CD1-CD1 4.09Å; M126-L128 HydrophobicContact CE-CD2 3.59Å; M126-L128 HydrophobicContact CG-CD2 4.11Å; M126-L128 HydrophobicContact CG-CG 4.18Å; L128-T132 HydrophobicContact CD2-CG2 3.85Å; L128-V134 HydrophobicContact CD1-CG2 3.79Å; L128-V134 HydrophobicContact CD2-CG2 3.86Å
129	E	96.7	Very high	96.9	Very high	40 Å²	40	38.2 Å²	38.2	19%	0.187	18%	0.184	C	C	.	.			trans	-82.2	161.8	163.2	-66.9	-174.6	158.1	0	0	109.7	L74 D131 T132 F183 S184	L74-E129 WeakPolarHBondContact CD2-O 3.22Å; E129-D131 WeakPolarHBondContact CB-OD1 3.17Å; E129-D131 PolarHBondContact O-N 2.63Å; E129-T132 PolarHBondContact N-OG1 3.48Å; E129-T132 WeakPolarHBondContact O-CB 3.5Å; E129-T132 PolarHBondContact O-N 3.16Å; E129-T132 PolarHBondContact O-OG1 3.44Å; E129-F183 HydrophobicContact CG-CB 4.36Å; E129-F183 WeakPolarHBondContact OE1-CB 3.48Å; E129-S184 VanDerWaalsContact OE2-CA 3.26Å; E129-S184 WeakPolarHBondContact OE2-CA 3.46Å; E129-S184 WeakPolarHBondContact OE2-CB 3.21Å; E129-S184 PolarHBondContact OE2-N 2.83Å; E129-S184 PolarHBondContact OE2-OG 2.97Å
130	E	95.2	Very high	96.9	Very high	17 Å²	17	38 Å²	38	8%	0.079	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-23.8	-174.3	-59	164.9	138.8	0	0	112.9	I59 S61 Q62 H67 Q70 A71 R133	I59-E130 HydrophobicContact CG2-CG 3.96Å; S61-E130 WeakPolarHBondContact CA-OE1 3.41Å; S61-E130 WeakPolarHBondContact CB-OE1 3.4Å; Q62-E130 PolarHBondContact N-OE1 3.16Å; Q62-E130 VanDerWaalsContact N-OE1 3.16Å; H67-E130 VanDerWaalsContact C-OE1 3.24Å; H67-E130 WeakPolarHBondContact CA-OE1 3.11Å; H67-E130 VanDerWaalsContact CB-OE1 3.3Å; H67-E130 WeakPolarHBondContact CB-OE1 3.35Å; H67-E130 IonicContact CE1-OE2 3.88Å; H67-E130 IonicContact CG-OE2 3.17Å; H67-E130 IonicContact ND1-OE1 3.69Å; H67-E130 IonicContact ND1-OE2 3.02Å; H67-E130 PolarHBondContact ND1-OE2 2.7Å; Q70-E130 HydrophobicContact CB-CB 3.77Å; A71-E130 HydrophobicContact CB-CG 4.02Å; E130-R133 PolarHBondContact O-NH1 3.02Å
131	D	92.5	Very high	96.9	Very high	60 Å²	60	32.9 Å²	32.9	32%	0.321	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.9	-8	178.2	70.8	-23.8	0	0	0	113.5	E129 R133	E129-D131 WeakPolarHBondContact CB-OD1 3.17Å; E129-D131 PolarHBondContact O-N 2.63Å; D131-R133 VanDerWaalsContact C-NH1 3.34Å; D131-R133 PolarHBondContact O-N 2.88Å; D131-R133 PolarHBondContact O-NH1 3.13Å; D131-R133 VanDerWaalsContact O-NH1 3.09Å
132	T	96.1	Very high	97.1	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60	135.1	169.6	-51	0	0	0	0	109.3	L74 L128 E129 V134 S184 T252	L74-T132 WeakPolarHBondContact CD1-O 3.32Å; L128-T132 HydrophobicContact CD2-CG2 3.85Å; E129-T132 PolarHBondContact N-OG1 3.48Å; E129-T132 WeakPolarHBondContact O-CB 3.5Å; E129-T132 PolarHBondContact O-N 3.16Å; E129-T132 PolarHBondContact O-OG1 3.44Å; T132-V134 HydrophobicContact CG2-CG2 4.23Å; T132-S184 PolarHBondContact OG1-O 3.42Å; T132-T252 HydrophobicContact CG2-CG2 4.16Å
133	R	96.3	Very high	97.1	Very high	44 Å²	44	26 Å²	26	17%	0.166	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	134.5	171.5	-59.7	-65.6	172.1	-98	-3.4	108.1	E130 D131 T252 T253	E130-R133 PolarHBondContact O-NH1 3.02Å; D131-R133 VanDerWaalsContact C-NH1 3.34Å; D131-R133 PolarHBondContact O-N 2.88Å; D131-R133 PolarHBondContact O-NH1 3.13Å; D131-R133 VanDerWaalsContact O-NH1 3.09Å; R133-T252 CarbonylContact O-C 3.59Å; R133-T252 WeakPolarHBondContact O-CA 3.37Å; R133-T253 WeakPolarHBondContact CB-OG1 3Å; R133-T253 PolarHBondContact N-O 2.94Å; R133-T253 PolarHBondContact O-N 3.05Å
134	V	97.4	Very high	97.1	Very high	5 Å²	5	28.3 Å²	28.3	3%	0.03	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	130.8	-171.3	-176.9	0	0	0	0	109.5	L74 L78 Q81 L128 T132 L139 T252	L74-V134 HydrophobicContact CD1-CG2 4.36Å; L78-V134 HydrophobicContact CD2-CB 3.86Å; L78-V134 HydrophobicContact CD2-CG1 3.94Å; L78-V134 HydrophobicContact CD2-CG2 4.28Å; Q81-V134 PolarHBondContact NE2-O 3.28Å; Q81-V134 PolarHBondContact OE1-O 3.46Å; L128-V134 HydrophobicContact CD1-CG2 3.79Å; L128-V134 HydrophobicContact CD2-CG2 3.86Å; T132-V134 HydrophobicContact CG2-CG2 4.23Å; V134-L139 HydrophobicContact CG1-CB 4.24Å; V134-L139 HydrophobicContact CG1-CD2 3.69Å; V134-T252 HydrophobicContact CG2-CG2 4.31Å
135	K	97.2	Very high	97	Very high	57 Å²	57	34.5 Å²	34.5	25%	0.248	16%	0.157	C	C	.	.			trans	-95.7	91.9	164.8	-63.9	-179.5	-169.5	165.2	0	107.4	Q137 K138 L139 A247 C250 A251	K135-Q137 VanDerWaalsContact C-N 3.29Å; K135-Q137 PolarHBondContact O-N 3.35Å; K135-K138 HydrophobicContact CB-CB 4.31Å; K135-K138 HydrophobicContact CB-CD 4.18Å; K135-K138 HydrophobicContact CB-CG 4.38Å; K135-K138 HydrophobicContact CD-CD 4.03Å; K135-K138 PolarHBondContact O-N 3.04Å; K135-L139 PolarHBondContact O-N 3.36Å; K135-A247 PolarHBondContact NZ-O 3.46Å; K135-C250 WeakPolarHBondContact CD-O 3.43Å; K135-A251 PolarHBondContact N-O 3.38Å
136	L	97.5	Very high	96.9	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-57.1	-40.6	-164.8	-176.2	58.3	0	0	0	113	L52 F57 L78 Q81 T82 L85 K138 L139 H140	L52-L136 HydrophobicContact CD1-CD1 4.5Å; L52-L136 HydrophobicContact CD1-CD2 3.93Å; L52-L136 HydrophobicContact CD1-CG 4.03Å; L52-L136 HydrophobicContact CD2-CD1 3.92Å; L52-L136 HydrophobicContact CD2-CG 4.27Å; F57-L136 HydrophobicContact CE1-CD1 4.5Å; F57-L136 HydrophobicContact CE2-CD1 4.24Å; F57-L136 HydrophobicContact CZ-CD1 3.63Å; L78-L136 HydrophobicContact CD2-CD1 4.28Å; Q81-L136 HydrophobicContact CB-CB 3.93Å; Q81-L136 HydrophobicContact CB-CD2 3.96Å; T82-L136 WeakPolarHBondContact OG1-CD2 3.3Å; L85-L136 HydrophobicContact CD1-CB 4.31Å; L85-L136 HydrophobicContact CD1-CD2 4.26Å; L85-L136 HydrophobicContact CD1-CG 4.14Å; L136-K138 VanDerWaalsContact C-N 3.33Å; L136-K138 PolarHBondContact O-N 3.5Å; L136-L139 PolarHBondContact O-N 3.09Å; L136-H140 WeakPolarHBondContact O-CB 3.49Å; L136-H140 PolarHBondContact O-N 3.09Å
137	Q	96.5	Very high	96.8	Very high	123 Å²	123	38.9 Å²	38.9	58%	0.575	18%	0.179	S	C	*	.	H	α-helix	trans	-57.8	-45.6	176.4	-168.5	-178.6	7.5	0	0	112	L85 K135 H140 E141	L85-Q137 HydrophobicContact CD1-CB 4.07Å; L85-Q137 HydrophobicContact CD2-CB 3.89Å; L85-Q137 HydrophobicContact CD2-CG 3.91Å; K135-Q137 VanDerWaalsContact C-N 3.29Å; K135-Q137 PolarHBondContact O-N 3.35Å; Q137-H140 WeakPolarHBondContact O-CB 3.21Å; Q137-H140 PolarHBondContact O-N 3.15Å; Q137-E141 WeakPolarHBondContact O-CG 3.35Å; Q137-E141 PolarHBondContact O-N 3.07Å
138	K	97.1	Very high	96.6	Very high	82 Å²	82	42.1 Å²	42.1	36%	0.357	19%	0.191	S	C	.	.	H	α-helix	trans	-69.1	-41.1	-179.6	-68.6	-178.6	177.1	-114.6	0	111.3	K135 L136 H140 E141 V142 Q248 C250 A251	K135-K138 HydrophobicContact CB-CB 4.31Å; K135-K138 HydrophobicContact CB-CD 4.18Å; K135-K138 HydrophobicContact CB-CG 4.38Å; K135-K138 HydrophobicContact CD-CD 4.03Å; K135-K138 PolarHBondContact O-N 3.04Å; L136-K138 VanDerWaalsContact C-N 3.33Å; L136-K138 PolarHBondContact O-N 3.5Å; K138-H140 VanDerWaalsContact C-N 3.28Å; K138-H140 PolarHBondContact O-N 3.16Å; K138-E141 PolarHBondContact O-N 3.27Å; K138-V142 VanDerWaalsContact O-CG2 3.27Å; K138-V142 WeakPolarHBondContact O-CG2 3.3Å; K138-V142 PolarHBondContact O-N 2.9Å; K138-Q248 WeakPolarHBondContact CE-O 3.09Å; K138-Q248 PolarHBondContact NZ-O 3.12Å; K138-C250 WeakPolarHBondContact CD-O 2.93Å; K138-A251 HydrophobicContact CB-CB 3.86Å
139	L	98.2	Very high	96.4	Very high	2 Å²	2	50.2 Å²	50.2	1%	0.01	22%	0.221	C	C	.	.	H	α-helix	trans	-60.7	-41.7	176	-177.9	61.6	0	0	0	111	F57 M126 V134 K135 L136 V142 L143 L237 A251	F57-L139 HydrophobicContact CE1-CD2 3.66Å; F57-L139 HydrophobicContact CZ-CD2 4.1Å; M126-L139 HydrophobicContact CE-CD1 4.32Å; M126-L139 HydrophobicContact CG-CD2 4.18Å; M126-L139 HydrophobicContact SD-CD1 4.19Å; M126-L139 HydrophobicContact SD-CD2 4.34Å; V134-L139 HydrophobicContact CG1-CB 4.24Å; V134-L139 HydrophobicContact CG1-CD2 3.69Å; K135-L139 PolarHBondContact O-N 3.36Å; L136-L139 PolarHBondContact O-N 3.09Å; L139-V142 WeakPolarHBondContact O-CB 3.49Å; L139-V142 PolarHBondContact O-N 3.41Å; L139-L143 HydrophobicContact CG-CD1 4.45Å; L139-L143 WeakPolarHBondContact O-CG 3.46Å; L139-L143 PolarHBondContact O-N 3.42Å; L139-L237 HydrophobicContact CD1-CD2 4.01Å; L139-A251 HydrophobicContact CB-CB 4.15Å
140	H	96.1	Very high	96.5	Very high	7 Å²	7	53.7 Å²	53.7	3%	0.032	24%	0.236	C	C	.	.	H	α-helix	trans	-60.5	-46	175.5	-170.1	-154.1	0	0	0	112.2	L50 L52 E87 L136 Q137 K138 V142 L143 K144	L50-H140 PolarHBondContact O-CE1 3.07Å; L50-H140 PolarHBondContact O-NE2 3.38Å; L52-H140 HydrophobicContact CD2-CB 3.81Å; L52-H140 HydrophobicContact CG-CB 4.42Å; E87-H140 IonicContact OE1-CE1 2.74Å; L136-H140 WeakPolarHBondContact O-CB 3.49Å; L136-H140 PolarHBondContact O-N 3.09Å; Q137-H140 WeakPolarHBondContact O-CB 3.21Å; Q137-H140 PolarHBondContact O-N 3.15Å; K138-H140 VanDerWaalsContact C-N 3.28Å; K138-H140 PolarHBondContact O-N 3.16Å; H140-V142 VanDerWaalsContact C-N 3.29Å; H140-V142 PolarHBondContact O-N 2.93Å; H140-L143 PolarHBondContact O-N 3.1Å; H140-K144 WeakPolarHBondContact CE1-CE 3.26Å; H140-K144 PolarHBondContact CE1-NZ 2.94Å; H140-K144 WeakPolarHBondContact ND1-CE 3.41Å; H140-K144 PolarHBondContact ND1-NZ 2.91Å; H140-K144 VanDerWaalsContact ND1-NZ 3.17Å; H140-K144 VanDerWaalsContact NE2-CE 3.27Å; H140-K144 WeakPolarHBondContact NE2-CE 3.23Å; H140-K144 WeakPolarHBondContact O-CG 3.4Å; H140-K144 PolarHBondContact O-N 3.36Å
141	E	96.5	Very high	96.6	Very high	92 Å²	92	56.3 Å²	56.3	43%	0.43	25%	0.248	S	C	.	.	H	α-helix	trans	-63.8	-32.9	175.7	-68.8	-51.4	128.3	0	0	113	Q137 K138 K144 K145	Q137-E141 WeakPolarHBondContact O-CG 3.35Å; Q137-E141 PolarHBondContact O-N 3.07Å; K138-E141 PolarHBondContact O-N 3.27Å; E141-K144 IonicContact OE1-NZ 2.82Å; E141-K144 PolarHBondContact OE1-NZ 3.43Å; E141-K145 WeakPolarHBondContact O-CG 3.29Å
142	V	97.6	Very high	96.9	Very high	4 Å²	4	56.2 Å²	56.2	2%	0.024	24%	0.243	C	C	.	.	H	α-helix	trans	-65.1	-51.5	173.5	166.8	0	0	0	0	110.6	K138 L139 H140 K144 K145 F146 V234 E236 A251	K138-V142 VanDerWaalsContact O-CG2 3.27Å; K138-V142 WeakPolarHBondContact O-CG2 3.3Å; K138-V142 PolarHBondContact O-N 2.9Å; L139-V142 WeakPolarHBondContact O-CB 3.49Å; L139-V142 PolarHBondContact O-N 3.41Å; H140-V142 VanDerWaalsContact C-N 3.29Å; H140-V142 PolarHBondContact O-N 2.93Å; V142-K144 VanDerWaalsContact C-N 3.25Å; V142-K144 PolarHBondContact O-N 3.35Å; V142-K145 WeakPolarHBondContact O-CB 3.49Å; V142-K145 PolarHBondContact O-N 3.12Å; V142-F146 HydrophobicContact CG1-CE2 4.3Å; V142-F146 WeakPolarHBondContact O-CD2 3.25Å; V142-V234 HydrophobicContact CG1-CG1 3.51Å; V142-E236 HydrophobicContact CG2-CB 3.63Å; V142-E236 HydrophobicContact CG2-CG 3.76Å; V142-A251 HydrophobicContact CG2-CB 4.4Å
143	L	97.8	Very high	97	Very high	5 Å²	5	56.3 Å²	56.3	3%	0.026	24%	0.244	C	C	.	.	H	α-helix	trans	-64.1	-30	-177.9	-65.6	177.7	0	0	0	112.6	L50 V55 W124 L139 H140 K145 F146 L154 A188	L50-L143 HydrophobicContact CD2-CB 3.73Å; V55-L143 HydrophobicContact CG1-CD1 3.98Å; V55-L143 HydrophobicContact CG2-CD1 3.84Å; W124-L143 HydrophobicContact CB-CD1 4.4Å; W124-L143 HydrophobicContact CD2-CD2 3.95Å; W124-L143 HydrophobicContact CE3-CD2 4.09Å; W124-L143 HydrophobicContact CG-CD1 4.24Å; W124-L143 HydrophobicContact CG-CD2 4.28Å; W124-L143 HydrophobicContact CZ3-CD2 4.5Å; L139-L143 HydrophobicContact CG-CD1 4.45Å; L139-L143 WeakPolarHBondContact O-CG 3.46Å; L139-L143 PolarHBondContact O-N 3.42Å; H140-L143 PolarHBondContact O-N 3.1Å; L143-K145 PolarHBondContact O-N 3.19Å; L143-F146 PolarHBondContact O-N 3.16Å; L143-L154 HydrophobicContact CD2-CD1 4.08Å; L143-A188 HydrophobicContact CD2-CB 4.27Å
144	K	96.4	Very high	97.1	Very high	56 Å²	56	54.3 Å²	54.3	24%	0.243	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-22.7	174	-78.4	173.5	-167.3	166.9	0	113.9	L50 H140 E141 V142 F146	L50-K144 HydrophobicContact CB-CG 3.94Å; L50-K144 HydrophobicContact CD2-CG 4.3Å; H140-K144 WeakPolarHBondContact CE1-CE 3.26Å; H140-K144 PolarHBondContact CE1-NZ 2.94Å; H140-K144 WeakPolarHBondContact ND1-CE 3.41Å; H140-K144 PolarHBondContact ND1-NZ 2.91Å; H140-K144 VanDerWaalsContact ND1-NZ 3.17Å; H140-K144 VanDerWaalsContact NE2-CE 3.27Å; H140-K144 WeakPolarHBondContact NE2-CE 3.23Å; H140-K144 WeakPolarHBondContact O-CG 3.4Å; H140-K144 PolarHBondContact O-N 3.36Å; E141-K144 IonicContact OE1-NZ 2.82Å; E141-K144 PolarHBondContact OE1-NZ 3.43Å; V142-K144 VanDerWaalsContact C-N 3.25Å; V142-K144 PolarHBondContact O-N 3.35Å; K144-F146 VanDerWaalsContact C-N 3.27Å; K144-F146 PolarHBondContact O-N 3.07Å
145	K	96.5	Very high	97.2	Very high	131 Å²	131	54 Å²	54	57%	0.57	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.5	-20	-178.3	-61.1	173.6	-172.6	-179.5	0	113.1	E141 V142 L143 E236	E141-K145 WeakPolarHBondContact O-CG 3.29Å; V142-K145 WeakPolarHBondContact O-CB 3.49Å; V142-K145 PolarHBondContact O-N 3.12Å; L143-K145 PolarHBondContact O-N 3.19Å; K145-E236 IonicContact NZ-OE1 3.02Å; K145-E236 PolarHBondContact NZ-OE1 2.98Å
146	F	97.1	Very high	97.3	Very high	42 Å²	42	52.7 Å²	52.7	18%	0.184	23%	0.229	C	C	.	.	S	Bend	trans	-104.9	136.3	-172.3	-60.7	-86.9	0	0	0	111	W124 V142 L143 K144 R148 W152 L154 T232 V234	W124-F146 HydrophobicContact CH2-CB 3.73Å; W124-F146 HydrophobicContact CH2-CG 4.36Å; W124-F146 HydrophobicContact CZ2-CB 3.68Å; V142-F146 HydrophobicContact CG1-CE2 4.3Å; V142-F146 WeakPolarHBondContact O-CD2 3.25Å; L143-F146 PolarHBondContact O-N 3.16Å; K144-F146 VanDerWaalsContact C-N 3.27Å; K144-F146 PolarHBondContact O-N 3.07Å; F146-R148 PolarHBondContact O-N 3.25Å; F146-R148 VanDerWaalsContact O-N 3.1Å; F146-W152 HydrophobicContact CB-CD2 4.37Å; F146-W152 HydrophobicContact CB-CG 4.38Å; F146-W152 AromaticContact CD1-CD2 3.83Å; F146-W152 HydrophobicContact CD1-CD2 3.83Å; F146-W152 AromaticContact CD1-CE2 3.9Å; F146-W152 AromaticContact CD1-CE3 3.85Å; F146-W152 HydrophobicContact CD1-CE3 3.85Å; F146-W152 HydrophobicContact CD1-CG 4.48Å; F146-W152 HydrophobicContact CD1-CH2 4.04Å; F146-W152 HydrophobicContact CD1-CZ2 4.02Å; F146-W152 AromaticContact CD1-CZ3 3.96Å; F146-W152 HydrophobicContact CD1-CZ3 3.96Å; F146-W152 HydrophobicContact CE1-CE3 4.27Å; F146-W152 HydrophobicContact CE1-CZ3 4.22Å; F146-W152 HydrophobicContact CG-CD2 4.48Å; F146-L154 HydrophobicContact CD1-CD2 4.02Å; F146-L154 HydrophobicContact CD2-CD1 3.78Å; F146-L154 HydrophobicContact CE1-CD2 3.76Å; F146-L154 HydrophobicContact CE2-CD1 3.86Å; F146-L154 HydrophobicContact CE2-CD2 4.34Å; F146-L154 HydrophobicContact CG-CD1 4.16Å; F146-L154 HydrophobicContact CG-CD2 4.42Å; F146-L154 HydrophobicContact CZ-CD1 4.29Å; F146-L154 HydrophobicContact CZ-CD2 3.93Å; F146-T232 HydrophobicContact CE1-CG2 4.04Å; F146-V234 HydrophobicContact CE2-CG2 4.47Å; F146-V234 HydrophobicContact CZ-CG2 4.15Å
147	D	96.1	Very high	97.3	Very high	50 Å²	50	54.7 Å²	54.7	27%	0.267	24%	0.241	S	C	.	.			trans	-68	109.9	176.4	-174.5	-13.4	0	0	0	110.1	R149 K150 W152	D147-R149 PolarHBondContact O-N 2.79Å; D147-R149 WeakPolarHBondContact OD1-CB 3.38Å; D147-R149 IonicContact OD1-CZ 3.59Å; D147-R149 PolarHBondContact OD1-N 2.89Å; D147-R149 IonicContact OD1-NE 3.44Å; D147-R149 PolarHBondContact OD1-NE 3.17Å; D147-R149 IonicContact OD1-NH2 2.85Å; D147-R149 IonicContact OD2-CZ 3.67Å; D147-R149 IonicContact OD2-NE 3.69Å; D147-R149 PolarHBondContact OD2-NE 3.19Å; D147-R149 IonicContact OD2-NH2 2.93Å; D147-R149 PolarHBondContact OD2-NH2 2.99Å; D147-K150 HydrophobicContact CB-CD 4.24Å; D147-K150 HydrophobicContact CB-CG 4.24Å; D147-K150 PolarHBondContact O-N 2.78Å; D147-W152 PolarHBondContact O-NE1 3.31Å
148	R	94.8	Very high	97.4	Very high	68 Å²	68	48.9 Å²	48.9	26%	0.257	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.4	-18	-179.1	71.9	175.4	70.9	117.3	10.8	114.7	S48 S123 F146 P192	S48-R148 PolarHBondContact O-NH1 3.08Å; S48-R148 PolarHBondContact O-NH2 2.79Å; S48-R148 PolarHBondContact OG-NH1 2.92Å; S48-R148 VanDerWaalsContact OG-NH1 3.09Å; S123-R148 VanDerWaalsContact OG-CD 3.3Å; S123-R148 WeakPolarHBondContact OG-CD 3.48Å; S123-R148 PolarHBondContact OG-NE 3.19Å; F146-R148 PolarHBondContact O-N 3.25Å; F146-R148 VanDerWaalsContact O-N 3.1Å; R148-P192 WeakPolarHBondContact O-CD 3.29Å; R148-P192 WeakPolarHBondContact O-CG 3.16Å
149	R	95.3	Very high	97.4	Very high	170 Å²	170	48 Å²	48	64%	0.642	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.9	-11.1	-178.6	-60.8	169	-65.2	-164.4	4.6	112.8	D147	D147-R149 PolarHBondContact O-N 2.79Å; D147-R149 WeakPolarHBondContact OD1-CB 3.38Å; D147-R149 IonicContact OD1-CZ 3.59Å; D147-R149 PolarHBondContact OD1-N 2.89Å; D147-R149 IonicContact OD1-NE 3.44Å; D147-R149 PolarHBondContact OD1-NE 3.17Å; D147-R149 IonicContact OD1-NH2 2.85Å; D147-R149 IonicContact OD2-CZ 3.67Å; D147-R149 IonicContact OD2-NE 3.69Å; D147-R149 PolarHBondContact OD2-NE 3.19Å; D147-R149 IonicContact OD2-NH2 2.93Å; D147-R149 PolarHBondContact OD2-NH2 2.99Å
150	K	97.5	Very high	97.3	Very high	113 Å²	113	48.2 Å²	48.2	49%	0.491	21%	0.213	S	C	.	.	S	Bend	trans	-97.9	160.5	178.2	-62.8	-176.1	-178.6	179.7	0	110.6	D147 W152 S190	D147-K150 HydrophobicContact CB-CD 4.24Å; D147-K150 HydrophobicContact CB-CG 4.24Å; D147-K150 PolarHBondContact O-N 2.78Å; K150-W152 HydrophobicContact CD-CZ2 4.43Å; K150-S190 WeakPolarHBondContact O-CB 3.24Å; K150-S190 PolarHBondContact O-OG 3.34Å
151	E	98.3	Very high	97.2	Very high	71 Å²	71	53.3 Å²	53.3	33%	0.332	24%	0.236	S	C	.	.			trans	-76.9	120.1	171.4	-64.3	-169.7	-170.8	0	0	110.6	S190 P192 L193 R196 P229	E151-S190 WeakPolarHBondContact CA-OG 3.33Å; E151-P192 HydrophobicContact CG-CB 4.23Å; E151-L193 HydrophobicContact CB-CB 4.01Å; E151-L193 HydrophobicContact CB-CD1 4.41Å; E151-L193 HydrophobicContact CG-CB 4.09Å; E151-L193 HydrophobicContact CG-CD1 4.5Å; E151-L193 WeakPolarHBondContact OE2-CD1 3.28Å; E151-R196 WeakPolarHBondContact OE1-CD 3.43Å; E151-R196 IonicContact OE1-NE 2.65Å; E151-R196 PolarHBondContact OE1-NE 2.85Å; E151-R196 VanDerWaalsContact OE1-NE 3.17Å; E151-R196 IonicContact OE2-CZ 2.97Å; E151-R196 IonicContact OE2-NE 3.75Å; E151-R196 PolarHBondContact OE2-NE 2.94Å; E151-R196 IonicContact OE2-NH2 3.52Å; E151-R196 PolarHBondContact OE2-NH2 3.38Å; E151-P229 HydrophobicContact CB-CG 4.31Å
152	W	98.5	Very high	97	Very high	58 Å²	58	52.9 Å²	52.9	22%	0.22	23%	0.234	C	C	.	.			trans	-128.6	131.5	176.4	-66.7	104.5	0	0	0	111.1	W124 F146 D147 K150 L154 L189 S190 L193 T232	W124-W152 HydrophobicContact CH2-CB 3.65Å; W124-W152 AromaticContact CH2-CD1 3.7Å; W124-W152 AromaticContact CH2-CG 3.83Å; W124-W152 HydrophobicContact CH2-CG 3.83Å; W124-W152 HydrophobicContact CZ3-CB 3.75Å; W124-W152 HydrophobicContact CZ3-CG 4.42Å; F146-W152 HydrophobicContact CB-CD2 4.37Å; F146-W152 HydrophobicContact CB-CG 4.38Å; F146-W152 AromaticContact CD1-CD2 3.83Å; F146-W152 HydrophobicContact CD1-CD2 3.83Å; F146-W152 AromaticContact CD1-CE2 3.9Å; F146-W152 AromaticContact CD1-CE3 3.85Å; F146-W152 HydrophobicContact CD1-CE3 3.85Å; F146-W152 HydrophobicContact CD1-CG 4.48Å; F146-W152 HydrophobicContact CD1-CH2 4.04Å; F146-W152 HydrophobicContact CD1-CZ2 4.02Å; F146-W152 AromaticContact CD1-CZ3 3.96Å; F146-W152 HydrophobicContact CD1-CZ3 3.96Å; F146-W152 HydrophobicContact CE1-CE3 4.27Å; F146-W152 HydrophobicContact CE1-CZ3 4.22Å; F146-W152 HydrophobicContact CG-CD2 4.48Å; D147-W152 PolarHBondContact O-NE1 3.31Å; K150-W152 HydrophobicContact CD-CZ2 4.43Å; W152-L154 HydrophobicContact CB-CD2 3.98Å; W152-L154 HydrophobicContact CB-CG 4.14Å; W152-L154 HydrophobicContact CD2-CD2 4.45Å; W152-L154 HydrophobicContact CE3-CD2 4.06Å; W152-L154 HydrophobicContact CG-CD2 4.47Å; W152-L189 WeakPolarHBondContact O-CA 3.18Å; W152-S190 PolarHBondContact N-OG 3.24Å; W152-S190 PolarHBondContact O-N 3.32Å; W152-L193 WeakPolarHBondContact O-CD2 3.33Å; W152-T232 HydrophobicContact CE3-CG2 4.36Å; W152-T232 HydrophobicContact CZ3-CG2 4.13Å
153	F	98.8	Very high	96.8	Very high	3 Å²	3	54.3 Å²	54.3	1%	0.013	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	106.8	165.1	177.2	-153.6	0	0	0	107.9	P181 W187 L189 L193 A219 I222 L231 T232	F153-P181 HydrophobicContact CE2-CB 4.49Å; F153-P181 HydrophobicContact CE2-CG 3.93Å; F153-P181 HydrophobicContact CZ-CB 4.44Å; F153-P181 HydrophobicContact CZ-CG 3.64Å; F153-W187 HydrophobicContact CD2-CE3 4.12Å; F153-W187 HydrophobicContact CD2-CZ3 4.43Å; F153-W187 HydrophobicContact CE2-CD2 4.48Å; F153-W187 AromaticContact CE2-CE3 3.57Å; F153-W187 HydrophobicContact CE2-CE3 3.57Å; F153-W187 AromaticContact CE2-CZ3 3.89Å; F153-W187 HydrophobicContact CE2-CZ3 3.89Å; F153-L189 HydrophobicContact CB-CD2 4.09Å; F153-L189 HydrophobicContact CD2-CD2 3.49Å; F153-L189 VanDerWaalsContact CD2-CD2 3.49Å; F153-L189 HydrophobicContact CE2-CD2 4.22Å; F153-L189 HydrophobicContact CG-CD2 4.07Å; F153-L193 HydrophobicContact CB-CD2 4.01Å; F153-A219 HydrophobicContact CE1-CB 3.96Å; F153-A219 HydrophobicContact CZ-CB 4.21Å; F153-I222 HydrophobicContact CB-CG2 4.23Å; F153-I222 HydrophobicContact CD1-CB 4.37Å; F153-I222 HydrophobicContact CD1-CD1 4.01Å; F153-I222 HydrophobicContact CD1-CG2 3.89Å; F153-I222 HydrophobicContact CD2-CD1 3.95Å; F153-I222 HydrophobicContact CE1-CD1 3.95Å; F153-I222 HydrophobicContact CE2-CD1 3.87Å; F153-I222 HydrophobicContact CG-CD1 3.99Å; F153-I222 HydrophobicContact CG-CG2 4.23Å; F153-I222 HydrophobicContact CZ-CD1 3.85Å; F153-L231 HydrophobicContact CD1-CB 3.97Å; F153-L231 HydrophobicContact CD1-CD1 3.91Å; F153-L231 HydrophobicContact CD2-CD1 3.89Å; F153-L231 HydrophobicContact CE1-CB 3.99Å; F153-L231 HydrophobicContact CE1-CD1 3.85Å; F153-L231 HydrophobicContact CE1-CG 4.5Å; F153-L231 HydrophobicContact CE2-CD1 3.84Å; F153-L231 HydrophobicContact CG-CD1 3.95Å; F153-L231 HydrophobicContact CZ-CD1 3.85Å; F153-T232 WeakPolarHBondContact O-CB 3.44Å; F153-T232 PolarHBondContact O-N 3.47Å
154	L	98.9	Very high	96.6	Very high	1 Å²	1	54.2 Å²	54.2	1%	0.005	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	139.8	-171.6	-55.8	-174	0	0	0	110.7	W124 L143 F146 W152 W187 A188 T232 V234	W124-L154 HydrophobicContact CE3-CD1 4.38Å; W124-L154 HydrophobicContact CH2-CD1 3.69Å; W124-L154 HydrophobicContact CH2-CG 4.37Å; W124-L154 HydrophobicContact CZ3-CD1 3.53Å; W124-L154 HydrophobicContact CZ3-CG 4Å; L143-L154 HydrophobicContact CD2-CD1 4.08Å; F146-L154 HydrophobicContact CD1-CD2 4.02Å; F146-L154 HydrophobicContact CD2-CD1 3.78Å; F146-L154 HydrophobicContact CE1-CD2 3.76Å; F146-L154 HydrophobicContact CE2-CD1 3.86Å; F146-L154 HydrophobicContact CE2-CD2 4.34Å; F146-L154 HydrophobicContact CG-CD1 4.16Å; F146-L154 HydrophobicContact CG-CD2 4.42Å; F146-L154 HydrophobicContact CZ-CD1 4.29Å; F146-L154 HydrophobicContact CZ-CD2 3.93Å; W152-L154 HydrophobicContact CB-CD2 3.98Å; W152-L154 HydrophobicContact CB-CG 4.14Å; W152-L154 HydrophobicContact CD2-CD2 4.45Å; W152-L154 HydrophobicContact CE3-CD2 4.06Å; W152-L154 HydrophobicContact CG-CD2 4.47Å; L154-W187 CarbonylContact O-C 3.57Å; L154-W187 VanDerWaalsContact O-CA 3.29Å; L154-W187 WeakPolarHBondContact O-CA 3.47Å; L154-W187 VanDerWaalsContact O-CB 3.26Å; L154-W187 WeakPolarHBondContact O-CB 3.32Å; L154-A188 HydrophobicContact CB-CB 4.23Å; L154-A188 HydrophobicContact CD1-CB 4.49Å; L154-A188 PolarHBondContact N-O 3.04Å; L154-A188 PolarHBondContact O-N 3.36Å; L154-T232 HydrophobicContact CD2-CG2 4.04Å; L154-V234 HydrophobicContact CB-CG2 3.86Å; L154-V234 HydrophobicContact CD1-CG2 4.47Å; L154-V234 HydrophobicContact CD2-CG2 4.22Å; L154-V234 HydrophobicContact CG-CG2 4.4Å
155	G	98.8	Very high	96.4	Very high	0 Å²	0	55.8 Å²	55.8	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-177.9	177.8	175.5	0	0	0	0	0	112.8	T232 G233 V234	G155-T232 PolarHBondContact N-O 3.44Å; G155-G233 CarbonylContact O-C 3.44Å; G155-G233 WeakPolarHBondContact O-CA 3.47Å; G155-V234 PolarHBondContact O-N 3.42Å
156	K	98.5	Very high	96.3	Very high	29 Å²	29	50 Å²	50	13%	0.126	23%	0.23	C	C	.	.			trans	-83.8	120.2	165.8	-179.1	-170.6	165.2	-145.8	0	108.4	P181 D182 A185 L237 T239	K156-P181 CarbonylContact O-C 3Å; K156-P181 WeakPolarHBondContact O-CA 3.44Å; K156-D182 HydrophobicContact CB-CB 4.08Å; K156-D182 HydrophobicContact CD-CB 4.04Å; K156-D182 HydrophobicContact CG-CB 4.32Å; K156-D182 IonicContact NZ-OD2 3.55Å; K156-D182 PolarHBondContact NZ-OD2 3.32Å; K156-D182 PolarHBondContact O-N 3.31Å; K156-A185 HydrophobicContact CB-CB 3.71Å; K156-A185 HydrophobicContact CD-CB 4.09Å; K156-L237 HydrophobicContact CB-CB 4.44Å; K156-L237 WeakPolarHBondContact CB-O 3.33Å; K156-T239 HydrophobicContact CD-CG2 4.28Å; K156-T239 PolarHBondContact NZ-OG1 3.43Å
157	P	98.4	Very high	96.2	Very high	41 Å²	41	48.2 Å²	48.2	27%	0.266	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	136.8	-176.9	28.8	-32.8	0	0	0	111.5	E179 L231	P157-E179 HydrophobicContact CB-CB 4.03Å; P157-E179 HydrophobicContact CB-CG 4.12Å; P157-L231 HydrophobicContact CB-CD2 4.01Å
158	L	98.2	Very high	96	Very high	2 Å²	2	51.9 Å²	51.9	1%	0.01	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	154.2	160.9	-61.7	174.9	0	0	0	107.7	E179 Y180 D182 K215 A451 D453 F454	L158-E179 VanDerWaalsContact O-CA 3.24Å; L158-E179 WeakPolarHBondContact O-CA 3.46Å; L158-Y180 HydrophobicContact CB-CD2 3.77Å; L158-Y180 HydrophobicContact CB-CE2 3.44Å; L158-Y180 VanDerWaalsContact CB-CE2 3.44Å; L158-Y180 HydrophobicContact CB-CG 4.46Å; L158-Y180 WeakPolarHBondContact CB-O 3.26Å; L158-Y180 HydrophobicContact CD1-CD2 4.14Å; L158-Y180 HydrophobicContact CD1-CE2 3.77Å; L158-Y180 HydrophobicContact CG-CE2 4.26Å; L158-Y180 PolarHBondContact N-O 3.07Å; L158-Y180 PolarHBondContact O-N 3.01Å; L158-D182 HydrophobicContact CD1-CB 3.79Å; L158-D182 HydrophobicContact CD2-CB 4.03Å; L158-D182 HydrophobicContact CG-CB 3.75Å; L158-K215 HydrophobicContact CD1-CD 3.97Å; L158-A451 HydrophobicContact CB-CB 4.06Å; L158-A451 HydrophobicContact CD2-CB 4.21Å; L158-A451 HydrophobicContact CG-CB 4.5Å; L158-D453 HydrophobicContact CD2-CB 3.77Å; L158-F454 HydrophobicContact CD1-CB 3.94Å; L158-F454 HydrophobicContact CD1-CD2 4.18Å; L158-F454 HydrophobicContact CD1-CG 4.42Å; L158-F454 HydrophobicContact CD2-CB 4.21Å
159	H	97.2	Very high	95.8	Very high	63 Å²	63	55 Å²	55	29%	0.292	25%	0.25	S	C	.	.			trans	-143.3	161.7	170.5	64.4	79.7	0	0	0	109	E161 A451	H159-E161 IonicContact CE1-OE1 3.67Å; H159-E161 IonicContact CE1-OE2 2.82Å; H159-A451 VanDerWaalsContact O-CB 3.29Å; H159-A451 WeakPolarHBondContact O-CB 3.34Å
160	D	96.7	Very high	95.6	Very high	7 Å²	7	48.2 Å²	48.2	4%	0.037	23%	0.231	C	C	.	.			trans	-80.9	147.2	172	-59.2	-26.2	0	0	0	110.2	E162 T164 H167 P175 Y180	D160-E162 WeakPolarHBondContact CB-O 3.43Å; D160-T164 WeakPolarHBondContact OD2-CG2 3.32Å; D160-H167 VanDerWaalsContact CG-ND1 3.29Å; D160-H167 IonicContact OD1-CE1 2.68Å; D160-H167 PolarHBondContact OD1-CE1 3.01Å; D160-H167 IonicContact OD1-ND1 2.67Å; D160-H167 PolarHBondContact OD1-ND1 3.28Å; D160-H167 VanDerWaalsContact OD1-ND1 3.16Å; D160-H167 IonicContact OD2-CE1 3.14Å; D160-H167 IonicContact OD2-CG 3.72Å; D160-H167 IonicContact OD2-ND1 3.09Å; D160-H167 PolarHBondContact OD2-ND1 2.91Å; D160-P175 HydrophobicContact CB-CB 3.85Å; D160-Y180 WeakPolarHBondContact OD1-CE1 3.47Å; D160-Y180 PolarHBondContact OD1-OH 3.44Å
161	E	93.7	Very high	95.3	Very high	113 Å²	113	45.6 Å²	45.6	53%	0.528	22%	0.219	S	C	.	.	S	Bend	trans	-88.2	-30.5	173.6	-59.4	-69.8	-179.4	0	0	111.1	H159	H159-E161 IonicContact CE1-OE1 3.67Å; H159-E161 IonicContact CE1-OE2 2.82Å
162	E	93	Very high	95	Very high	83 Å²	83	45.5 Å²	45.5	39%	0.388	23%	0.226	S	C	.	.	S	Bend	trans	-140.8	166.1	177.8	64.6	175.9	-157.7	0	0	110.9	D160 T164 R446	D160-E162 WeakPolarHBondContact CB-O 3.43Å; E162-T164 PolarHBondContact O-N 2.98Å; E162-T164 VanDerWaalsContact O-N 3.16Å; E162-R446 IonicContact OE1-CZ 3.47Å; E162-R446 IonicContact OE1-NH2 3.88Å; E162-R446 PolarHBondContact OE1-NH2 2.62Å
163	S	92.9	Very high	94.8	Very high	35 Å²	35	52 Å²	52	25%	0.245	26%	0.259	C	S	.	.			trans	-66.4	117.6	177.3	-164.7	0	0	0	0	110.3	Y169 S172	S163-Y169 WeakPolarHBondContact OG-CB 3.48Å; S163-Y169 WeakPolarHBondContact OG-CD1 3.2Å; S163-S172 WeakPolarHBondContact OG-CA 3.2Å; S163-S172 WeakPolarHBondContact OG-CB 3.5Å
164	T	93.3	Very high	94.6	Very high	2 Å²	2	55.8 Å²	55.8	1%	0.012	28%	0.279	C	S	.	.			trans	-111	148	-169.8	-177.2	0	0	0	0	113.1	D160 E162 I166 H167 Y169 D449	D160-T164 WeakPolarHBondContact OD2-CG2 3.32Å; E162-T164 PolarHBondContact O-N 2.98Å; E162-T164 VanDerWaalsContact O-N 3.16Å; T164-I166 HydrophobicContact CG2-CG1 3.91Å; T164-I166 WeakPolarHBondContact OG1-CG1 3.26Å; T164-H167 HydrophobicContact CG2-CB 3.74Å; T164-H167 WeakPolarHBondContact CG2-ND1 3.4Å; T164-Y169 PolarHBondContact O-N 3.35Å; T164-D449 WeakPolarHBondContact OG1-CA 3.38Å; T164-D449 VanDerWaalsContact OG1-CB 3.28Å; T164-D449 WeakPolarHBondContact OG1-CB 3.22Å; T164-D449 PolarHBondContact OG1-O 3.14Å
165	I	92.2	Very high	94.3	Very high	90 Å²	90	56.7 Å²	56.7	46%	0.462	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.6	-34	178.8	-170	168.7	0	0	0	112.4	H167 H168	I165-H167 PolarHBondContact O-N 2.78Å; I165-H168 PolarHBondContact O-N 3.08Å
166	I	94.3	Very high	94.1	Very high	9 Å²	9	60.2 Å²	60.2	5%	0.046	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-20.1	-178	64.2	171.4	0	0	0	112.1	T164 I212 A445 D449 Y450	T164-I166 HydrophobicContact CG2-CG1 3.91Å; T164-I166 WeakPolarHBondContact OG1-CG1 3.26Å; I166-I212 HydrophobicContact CB-CG2 4.1Å; I166-I212 WeakPolarHBondContact O-CG2 3.41Å; I166-A445 HydrophobicContact CG2-CB 3.58Å; I166-D449 WeakPolarHBondContact CD1-O 3.07Å; I166-Y450 HydrophobicContact CD1-CD1 3.7Å; I166-Y450 HydrophobicContact CD1-CE1 3.77Å; I166-Y450 HydrophobicContact CD1-CG 4.4Å
167	H	95.2	Very high	93.9	Very high	5 Å²	5	60.7 Å²	60.7	2%	0.023	32%	0.316	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.6	18.9	173.2	-58.8	155.8	0	0	0	112.8	D160 T164 I165 Y169 A170 Y180 D213 H216	D160-H167 VanDerWaalsContact CG-ND1 3.29Å; D160-H167 IonicContact OD1-CE1 2.68Å; D160-H167 PolarHBondContact OD1-CE1 3.01Å; D160-H167 IonicContact OD1-ND1 2.67Å; D160-H167 PolarHBondContact OD1-ND1 3.28Å; D160-H167 VanDerWaalsContact OD1-ND1 3.16Å; D160-H167 IonicContact OD2-CE1 3.14Å; D160-H167 IonicContact OD2-CG 3.72Å; D160-H167 IonicContact OD2-ND1 3.09Å; D160-H167 PolarHBondContact OD2-ND1 2.91Å; T164-H167 HydrophobicContact CG2-CB 3.74Å; T164-H167 WeakPolarHBondContact CG2-ND1 3.4Å; I165-H167 PolarHBondContact O-N 2.78Å; H167-Y169 PolarHBondContact O-N 2.78Å; H167-Y169 VanDerWaalsContact O-N 3.07Å; H167-A170 WeakPolarHBondContact O-CB 3.36Å; H167-A170 PolarHBondContact O-N 3.47Å; H167-Y180 AromaticContact CE1-CE1 3.7Å; H167-Y180 AromaticContact CE1-CZ 3.58Å; H167-Y180 PolarHBondContact CE1-OH 2.88Å; H167-D213 IonicContact CD2-OD2 2.91Å; H167-D213 IonicContact CE1-OD2 3.34Å; H167-D213 IonicContact NE2-OD2 3.47Å; H167-D213 PolarHBondContact NE2-OD2 3.43Å; H167-H216 VanDerWaalsContact CD2-CB 3.46Å; H167-H216 WeakPolarHBondContact CD2-CB 3.4Å; H167-H216 AromaticContact CD2-CD2 3.72Å; H167-H216 AromaticContact CD2-CG 3.32Å; H167-H216 AromaticContact CD2-ND1 3.63Å; H167-H216 AromaticContact CE1-CD2 3.67Å; H167-H216 AromaticContact CE1-CG 3.9Å; H167-H216 AromaticContact CG-CD2 3.53Å; H167-H216 AromaticContact CG-CE1 3.79Å; H167-H216 AromaticContact CG-CG 3.59Å; H167-H216 AromaticContact CG-ND1 3.75Å; H167-H216 AromaticContact CG-NE2 3.71Å; H167-H216 AromaticContact ND1-CD2 3.48Å; H167-H216 PolarHBondContact ND1-CD2 3.24Å; H167-H216 AromaticContact ND1-CG 3.91Å; H167-H216 AromaticContact ND1-NE2 3.86Å; H167-H216 VanDerWaalsContact NE2-CB 3.3Å; H167-H216 WeakPolarHBondContact NE2-CB 3.49Å; H167-H216 AromaticContact NE2-CD2 3.81Å; H167-H216 AromaticContact NE2-CG 3.55Å
168	H	92.1	Very high	93.8	Very high	127 Å²	127	59.2 Å²	59.2	59%	0.588	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.7	32.8	179.7	-58.1	113.1	0	0	0	114.1	I165 A170	I165-H168 PolarHBondContact O-N 3.08Å; H168-A170 PolarHBondContact O-N 3.11Å
169	Y	91	Very high	93.8	Very high	132 Å²	132	63 Å²	63	52%	0.518	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.8	24.4	-176	-49.3	-73.4	0	0	0	114.1	S163 T164 H167 F171 S172	S163-Y169 WeakPolarHBondContact OG-CB 3.48Å; S163-Y169 WeakPolarHBondContact OG-CD1 3.2Å; T164-Y169 PolarHBondContact O-N 3.35Å; H167-Y169 PolarHBondContact O-N 2.78Å; H167-Y169 VanDerWaalsContact O-N 3.07Å; Y169-F171 PolarHBondContact O-N 2.77Å; Y169-S172 VanDerWaalsContact O-CB 3.32Å; Y169-S172 WeakPolarHBondContact O-CB 3.17Å; Y169-S172 PolarHBondContact O-N 2.96Å
170	A	89.3	Confident	93.8	Very high	29 Å²	29	60 Å²	60	24%	0.24	31%	0.31	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.4	139.2	167.4	0	0	0	0	0	109.4	H167 H168 S172	H167-A170 WeakPolarHBondContact O-CB 3.36Å; H167-A170 PolarHBondContact O-N 3.47Å; H168-A170 PolarHBondContact O-N 3.11Å; A170-S172 PolarHBondContact O-N 3.25Å
171	F	92.3	Very high	93.9	Very high	58 Å²	58	59.7 Å²	59.7	25%	0.254	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.8	30.2	-177.9	-47.4	-80.2	0	0	0	114.6	Y169 E173 N174 P175 F178 L220 W223	Y169-F171 PolarHBondContact O-N 2.77Å; F171-E173 PolarHBondContact O-N 3.47Å; F171-N174 CarbonylContact O-C 3.47Å; F171-N174 PolarHBondContact O-N 2.77Å; F171-P175 WeakPolarHBondContact O-CA 3.45Å; F171-P175 WeakPolarHBondContact O-CD 3.35Å; F171-F178 HydrophobicContact CD1-CB 4.03Å; F171-F178 HydrophobicContact CD2-CB 3.42Å; F171-F178 VanDerWaalsContact CD2-CB 3.42Å; F171-F178 HydrophobicContact CD2-CD1 4.01Å; F171-F178 HydrophobicContact CD2-CD2 4.44Å; F171-F178 AromaticContact CD2-CG 3.72Å; F171-F178 HydrophobicContact CD2-CG 3.72Å; F171-F178 HydrophobicContact CE1-CB 4.03Å; F171-F178 HydrophobicContact CE1-CD2 4.09Å; F171-F178 HydrophobicContact CE1-CG 4.23Å; F171-F178 HydrophobicContact CE2-CB 3.43Å; F171-F178 VanDerWaalsContact CE2-CB 3.43Å; F171-F178 AromaticContact CE2-CD1 3.49Å; F171-F178 HydrophobicContact CE2-CD1 3.49Å; F171-F178 VanDerWaalsContact CE2-CD1 3.49Å; F171-F178 AromaticContact CE2-CD2 3.57Å; F171-F178 HydrophobicContact CE2-CD2 3.57Å; F171-F178 HydrophobicContact CE2-CE1 4.11Å; F171-F178 HydrophobicContact CE2-CE2 4.18Å; F171-F178 AromaticContact CE2-CG 3.18Å; F171-F178 HydrophobicContact CE2-CG 3.18Å; F171-F178 HydrophobicContact CE2-CZ 4.42Å; F171-F178 HydrophobicContact CG-CB 3.74Å; F171-F178 HydrophobicContact CG-CG 4.43Å; F171-F178 HydrophobicContact CZ-CB 3.74Å; F171-F178 HydrophobicContact CZ-CD1 4.19Å; F171-F178 AromaticContact CZ-CD2 3.35Å; F171-F178 HydrophobicContact CZ-CD2 3.35Å; F171-F178 AromaticContact CZ-CE2 3.97Å; F171-F178 HydrophobicContact CZ-CE2 3.97Å; F171-F178 AromaticContact CZ-CG 3.49Å; F171-F178 HydrophobicContact CZ-CG 3.49Å; F171-F178 VanDerWaalsContact CZ-CG 3.49Å; F171-L220 HydrophobicContact CE2-CD2 3.72Å; F171-L220 HydrophobicContact CZ-CD2 3.89Å; F171-W223 AromaticContact CE1-CH2 3.96Å; F171-W223 HydrophobicContact CE1-CH2 3.96Å; F171-W223 AromaticContact CE1-CZ3 3.96Å; F171-W223 HydrophobicContact CE1-CZ3 3.96Å; F171-W223 HydrophobicContact CZ-CE3 4.09Å; F171-W223 HydrophobicContact CZ-CH2 4.18Å; F171-W223 AromaticContact CZ-CZ3 3.71Å; F171-W223 HydrophobicContact CZ-CZ3 3.71Å
172	S	92.1	Very high	94.1	Very high	69 Å²	69	54.3 Å²	54.3	48%	0.483	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.6	-30.8	-177.6	54.1	0	0	0	0	116	S163 Y169 A170	S163-S172 WeakPolarHBondContact OG-CA 3.2Å; S163-S172 WeakPolarHBondContact OG-CB 3.5Å; Y169-S172 VanDerWaalsContact O-CB 3.32Å; Y169-S172 WeakPolarHBondContact O-CB 3.17Å; Y169-S172 PolarHBondContact O-N 2.96Å; A170-S172 PolarHBondContact O-N 3.25Å
173	E	93.4	Very high	94.4	Very high	195 Å²	195	50.9 Å²	50.9	91%	0.911	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.9	-28.5	177.5	-62.4	-174.6	169.5	0	0	113.2	F171	F171-E173 PolarHBondContact O-N 3.47Å
174	N	95.2	Very high	94.5	Very high	81 Å²	81	49.4 Å²	49.4	43%	0.433	26%	0.256	S	S	.	.			trans	-151.4	81.8	176.6	-175.3	3.5	0	0	0	110.4	F171 T176 A177	F171-N174 CarbonylContact O-C 3.47Å; F171-N174 PolarHBondContact O-N 2.77Å; N174-T176 PolarHBondContact O-N 3.44Å; N174-T176 VanDerWaalsContact O-N 3.13Å; N174-T176 PolarHBondContact OD1-N 3.23Å; N174-T176 PolarHBondContact OD1-OG1 2.9Å; N174-A177 HydrophobicContact CB-CB 4.1Å; N174-A177 WeakPolarHBondContact O-CB 3.34Å; N174-A177 PolarHBondContact O-N 3.2Å
175	P	93.1	Very high	94.8	Very high	20 Å²	20	49.3 Å²	49.3	13%	0.13	26%	0.256	C	S	.	.	G	3₁₀ helix	trans	-58.9	-28.6	-176.1	-25.5	34.7	0	0	0	113.3	D160 F171 A177	D160-P175 HydrophobicContact CB-CB 3.85Å; F171-P175 WeakPolarHBondContact O-CA 3.45Å; F171-P175 WeakPolarHBondContact O-CD 3.35Å; P175-A177 VanDerWaalsContact C-N 3.26Å; P175-A177 PolarHBondContact O-N 3.47Å
176	T	94.4	Very high	95	Very high	74 Å²	74	45 Å²	45	45%	0.454	23%	0.234	S	C	.	.	G	3₁₀ helix	trans	-74.7	-10.3	177.9	70	0	0	0	0	114.3	N174 F178	N174-T176 PolarHBondContact O-N 3.44Å; N174-T176 VanDerWaalsContact O-N 3.13Å; N174-T176 PolarHBondContact OD1-N 3.23Å; N174-T176 PolarHBondContact OD1-OG1 2.9Å; T176-F178 PolarHBondContact O-N 3.18Å
177	A	94.1	Very high	95.3	Very high	39 Å²	39	44.6 Å²	44.6	32%	0.322	23%	0.232	S	C	.	.	G	3₁₀ helix	trans	-71.8	-15.5	-178.4	0	0	0	0	0	114	N174 P175 R230	N174-A177 HydrophobicContact CB-CB 4.1Å; N174-A177 WeakPolarHBondContact O-CB 3.34Å; N174-A177 PolarHBondContact O-N 3.2Å; P175-A177 VanDerWaalsContact C-N 3.26Å; P175-A177 PolarHBondContact O-N 3.47Å; A177-R230 PolarHBondContact O-NH1 3.47Å
178	F	96.6	Very high	95.4	Very high	11 Å²	11	44.4 Å²	44.4	5%	0.048	23%	0.231	C	C	.	.			trans	-121.8	127.4	-176.9	-170.7	-106.3	0	0	0	110.5	F171 T176 Y180 H216 A219 L220 W223	F171-F178 HydrophobicContact CD1-CB 4.03Å; F171-F178 HydrophobicContact CD2-CB 3.42Å; F171-F178 VanDerWaalsContact CD2-CB 3.42Å; F171-F178 HydrophobicContact CD2-CD1 4.01Å; F171-F178 HydrophobicContact CD2-CD2 4.44Å; F171-F178 AromaticContact CD2-CG 3.72Å; F171-F178 HydrophobicContact CD2-CG 3.72Å; F171-F178 HydrophobicContact CE1-CB 4.03Å; F171-F178 HydrophobicContact CE1-CD2 4.09Å; F171-F178 HydrophobicContact CE1-CG 4.23Å; F171-F178 HydrophobicContact CE2-CB 3.43Å; F171-F178 VanDerWaalsContact CE2-CB 3.43Å; F171-F178 AromaticContact CE2-CD1 3.49Å; F171-F178 HydrophobicContact CE2-CD1 3.49Å; F171-F178 VanDerWaalsContact CE2-CD1 3.49Å; F171-F178 AromaticContact CE2-CD2 3.57Å; F171-F178 HydrophobicContact CE2-CD2 3.57Å; F171-F178 HydrophobicContact CE2-CE1 4.11Å; F171-F178 HydrophobicContact CE2-CE2 4.18Å; F171-F178 AromaticContact CE2-CG 3.18Å; F171-F178 HydrophobicContact CE2-CG 3.18Å; F171-F178 HydrophobicContact CE2-CZ 4.42Å; F171-F178 HydrophobicContact CG-CB 3.74Å; F171-F178 HydrophobicContact CG-CG 4.43Å; F171-F178 HydrophobicContact CZ-CB 3.74Å; F171-F178 HydrophobicContact CZ-CD1 4.19Å; F171-F178 AromaticContact CZ-CD2 3.35Å; F171-F178 HydrophobicContact CZ-CD2 3.35Å; F171-F178 AromaticContact CZ-CE2 3.97Å; F171-F178 HydrophobicContact CZ-CE2 3.97Å; F171-F178 AromaticContact CZ-CG 3.49Å; F171-F178 HydrophobicContact CZ-CG 3.49Å; F171-F178 VanDerWaalsContact CZ-CG 3.49Å; T176-F178 PolarHBondContact O-N 3.18Å; F178-Y180 HydrophobicContact CD1-CD1 4.35Å; F178-H216 AromaticContact CD1-CD2 3.89Å; F178-H216 AromaticContact CD1-NE2 3.65Å; F178-H216 AromaticContact CE1-CD2 3.81Å; F178-H216 AromaticContact CE1-NE2 3.74Å; F178-A219 HydrophobicContact CE1-CB 3.91Å; F178-A219 HydrophobicContact CZ-CB 3.71Å; F178-L220 HydrophobicContact CE1-CD2 4.11Å; F178-L220 HydrophobicContact CE1-CG 4.05Å; F178-L220 HydrophobicContact CE2-CD2 4.18Å; F178-L220 HydrophobicContact CZ-CB 4.46Å; F178-L220 HydrophobicContact CZ-CD2 3.8Å; F178-L220 HydrophobicContact CZ-CG 3.96Å; F178-W223 HydrophobicContact CD2-CD2 4.5Å; F178-W223 HydrophobicContact CE2-CB 3.96Å; F178-W223 HydrophobicContact CE2-CD2 4.02Å; F178-W223 HydrophobicContact CE2-CE3 4.13Å; F178-W223 AromaticContact CE2-CG 3.96Å; F178-W223 HydrophobicContact CE2-CG 3.96Å
179	E	97.6	Very high	95.8	Very high	82 Å²	82	38.4 Å²	38.4	38%	0.383	20%	0.203	S	C	.	.			trans	-112.8	138.7	179.5	-62.8	-179.5	137.9	0	0	110	P157 L158 L231	P157-E179 HydrophobicContact CB-CB 4.03Å; P157-E179 HydrophobicContact CB-CG 4.12Å; L158-E179 VanDerWaalsContact O-CA 3.24Å; L158-E179 WeakPolarHBondContact O-CA 3.46Å; E179-L231 HydrophobicContact CB-CD2 4.24Å
180	Y	98.3	Very high	96.1	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	152.1	176.3	53.1	-91	0	0	0	109.8	L158 D160 H167 F178 K215 H216 A451	L158-Y180 HydrophobicContact CB-CD2 3.77Å; L158-Y180 HydrophobicContact CB-CE2 3.44Å; L158-Y180 VanDerWaalsContact CB-CE2 3.44Å; L158-Y180 HydrophobicContact CB-CG 4.46Å; L158-Y180 WeakPolarHBondContact CB-O 3.26Å; L158-Y180 HydrophobicContact CD1-CD2 4.14Å; L158-Y180 HydrophobicContact CD1-CE2 3.77Å; L158-Y180 HydrophobicContact CG-CE2 4.26Å; L158-Y180 PolarHBondContact N-O 3.07Å; L158-Y180 PolarHBondContact O-N 3.01Å; D160-Y180 WeakPolarHBondContact OD1-CE1 3.47Å; D160-Y180 PolarHBondContact OD1-OH 3.44Å; H167-Y180 AromaticContact CE1-CE1 3.7Å; H167-Y180 AromaticContact CE1-CZ 3.58Å; H167-Y180 PolarHBondContact CE1-OH 2.88Å; F178-Y180 HydrophobicContact CD1-CD1 4.35Å; Y180-K215 HydrophobicContact CD2-CB 4.38Å; Y180-K215 HydrophobicContact CD2-CD 3.81Å; Y180-K215 HydrophobicContact CD2-CG 4.01Å; Y180-K215 HydrophobicContact CE2-CD 3.86Å; Y180-K215 HydrophobicContact CE2-CG 4.4Å; Y180-H216 HydrophobicContact CD1-CB 4.46Å; Y180-H216 AromaticContact CD1-CD2 3.61Å; Y180-H216 AromaticContact CE1-CD2 3.93Å; Y180-H216 HydrophobicContact CG-CB 4.3Å; Y180-A451 WeakPolarHBondContact OH-CB 3.36Å
181	P	98.5	Very high	96.5	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	143.5	-170.3	30.9	-38.3	0	0	0	112.5	F153 K156 F183 W187 K215 L231	F153-P181 HydrophobicContact CE2-CB 4.49Å; F153-P181 HydrophobicContact CE2-CG 3.93Å; F153-P181 HydrophobicContact CZ-CB 4.44Å; F153-P181 HydrophobicContact CZ-CG 3.64Å; K156-P181 CarbonylContact O-C 3Å; K156-P181 WeakPolarHBondContact O-CA 3.44Å; P181-F183 HydrophobicContact CB-CD1 4.37Å; P181-F183 HydrophobicContact CG-CD1 3.91Å; P181-F183 HydrophobicContact CG-CE1 3.63Å; P181-F183 PolarHBondContact O-N 3.18Å; P181-W187 HydrophobicContact CB-CB 4.06Å; P181-W187 HydrophobicContact CB-CG 4.43Å; P181-K215 WeakPolarHBondContact O-CB 3.41Å; P181-L231 HydrophobicContact CB-CD1 4.11Å; P181-L231 HydrophobicContact CB-CD2 4.25Å
182	D	98.1	Very high	96.8	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	17%	0.169	C	C	.	.			trans	-75.5	100	164.5	-162.7	-17.7	0	0	0	109.2	K156 L158 S184 A185 T239 H457	K156-D182 HydrophobicContact CB-CB 4.08Å; K156-D182 HydrophobicContact CD-CB 4.04Å; K156-D182 HydrophobicContact CG-CB 4.32Å; K156-D182 IonicContact NZ-OD2 3.55Å; K156-D182 PolarHBondContact NZ-OD2 3.32Å; K156-D182 PolarHBondContact O-N 3.31Å; L158-D182 HydrophobicContact CD1-CB 3.79Å; L158-D182 HydrophobicContact CD2-CB 4.03Å; L158-D182 HydrophobicContact CG-CB 3.75Å; D182-S184 PolarHBondContact O-N 3.03Å; D182-A185 HydrophobicContact CB-CB 4.27Å; D182-A185 WeakPolarHBondContact O-CB 3.18Å; D182-A185 PolarHBondContact O-N 3.36Å; D182-T239 VanDerWaalsContact OD2-CG2 3.22Å; D182-T239 WeakPolarHBondContact OD2-CG2 3.44Å; D182-H457 IonicContact OD1-CE1 3.92Å; D182-H457 IonicContact OD1-NE2 2.83Å; D182-H457 PolarHBondContact OD1-NE2 2.62Å; D182-H457 IonicContact OD2-CD2 2.83Å; D182-H457 IonicContact OD2-NE2 3.17Å; D182-H457 PolarHBondContact OD2-NE2 3.18Å
183	F	97.7	Very high	97.1	Very high	11 Å²	11	27 Å²	27	5%	0.048	15%	0.146	C	C	.	.	G	3₁₀ helix	trans	-58.7	-30.8	-175.9	-85.2	18.5	0	0	0	113.3	E129 P181 A185 G186 W187 L214 K215 V218	E129-F183 HydrophobicContact CG-CB 4.36Å; E129-F183 WeakPolarHBondContact OE1-CB 3.48Å; P181-F183 HydrophobicContact CB-CD1 4.37Å; P181-F183 HydrophobicContact CG-CD1 3.91Å; P181-F183 HydrophobicContact CG-CE1 3.63Å; P181-F183 PolarHBondContact O-N 3.18Å; F183-A185 PolarHBondContact O-N 3.07Å; F183-G186 WeakPolarHBondContact O-CA 3.13Å; F183-G186 PolarHBondContact O-N 3.21Å; F183-W187 AromaticContact CD1-CD1 3.48Å; F183-W187 VanDerWaalsContact CD1-CD1 3.48Å; F183-W187 HydrophobicContact CD1-CG 4.24Å; F183-W187 AromaticContact CD1-NE1 3.33Å; F183-W187 VanDerWaalsContact CD1-NE1 3.33Å; F183-W187 AromaticContact CE1-CD1 3.73Å; F183-W187 HydrophobicContact CE1-CD2 4.08Å; F183-W187 AromaticContact CE1-CE2 3.46Å; F183-W187 VanDerWaalsContact CE1-CE2 3.46Å; F183-W187 HydrophobicContact CE1-CG 4.23Å; F183-W187 AromaticContact CE1-CZ2 3.87Å; F183-W187 HydrophobicContact CE1-CZ2 3.87Å; F183-W187 AromaticContact CE1-NE1 3.21Å; F183-W187 HydrophobicContact CE2-CZ2 4.36Å; F183-W187 AromaticContact CE2-NE1 3.93Å; F183-W187 AromaticContact CG-NE1 3.75Å; F183-W187 AromaticContact CZ-CE2 3.67Å; F183-W187 AromaticContact CZ-CZ2 3.62Å; F183-W187 HydrophobicContact CZ-CZ2 3.62Å; F183-W187 AromaticContact CZ-NE1 3.55Å; F183-L214 HydrophobicContact CE2-CD2 3.75Å; F183-L214 HydrophobicContact CE2-CG 3.78Å; F183-L214 HydrophobicContact CZ-CG 4.23Å; F183-K215 HydrophobicContact CD1-CB 3.71Å; F183-K215 HydrophobicContact CE1-CB 3.67Å; F183-K215 HydrophobicContact CG-CB 4.19Å; F183-K215 HydrophobicContact CZ-CB 4.1Å; F183-V218 HydrophobicContact CZ-CG2 4.37Å
184	S	96.6	Very high	97.4	Very high	4 Å²	4	17.7 Å²	17.7	3%	0.028	10%	0.103	C	C	.	.	G	3₁₀ helix	trans	-67.2	-22.2	177.1	-50.4	0	0	0	0	113.1	E129 T132 D182 G186	E129-S184 VanDerWaalsContact OE2-CA 3.26Å; E129-S184 WeakPolarHBondContact OE2-CA 3.46Å; E129-S184 WeakPolarHBondContact OE2-CB 3.21Å; E129-S184 PolarHBondContact OE2-N 2.83Å; E129-S184 PolarHBondContact OE2-OG 2.97Å; T132-S184 PolarHBondContact OG1-O 3.42Å; D182-S184 PolarHBondContact O-N 3.03Å; S184-G186 VanDerWaalsContact C-N 3.26Å
185	A	97.8	Very high	97.5	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	10%	0.095	C	C	.	.	G	3₁₀ helix	trans	-78.6	-11.4	171.3	0	0	0	0	0	112.9	K156 D182 F183 L237 T239 T252	K156-A185 HydrophobicContact CB-CB 3.71Å; K156-A185 HydrophobicContact CD-CB 4.09Å; D182-A185 HydrophobicContact CB-CB 4.27Å; D182-A185 WeakPolarHBondContact O-CB 3.18Å; D182-A185 PolarHBondContact O-N 3.36Å; F183-A185 PolarHBondContact O-N 3.07Å; A185-L237 HydrophobicContact CB-CB 4.26Å; A185-T239 HydrophobicContact CB-CG2 3.73Å; A185-T252 WeakPolarHBondContact O-CB 3.39Å; A185-T252 WeakPolarHBondContact O-CG2 3.36Å; A185-T252 PolarHBondContact O-OG1 2.97Å
186	G	98.4	Very high	97.8	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	10%	0.1	C	C	.	.			trans	72	158.7	-163.6	0	0	0	0	0	113	F127 F183 S184	F127-G186 WeakPolarHBondContact O-CA 3.43Å; F183-G186 WeakPolarHBondContact O-CA 3.13Å; F183-G186 PolarHBondContact O-N 3.21Å; S184-G186 VanDerWaalsContact C-N 3.26Å
187	W	98.8	Very high	97.9	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.1	158.8	-178.6	60.8	-77.4	0	0	0	110.3	I107 M126 F127 F153 L154 P181 F183 L189 V218	I107-W187 HydrophobicContact CG1-CZ2 4.39Å; I107-W187 HydrophobicContact CG2-CH2 3.95Å; I107-W187 HydrophobicContact CG2-CZ2 4.11Å; M126-W187 VanDerWaalsContact SD-O 3.38Å; F127-W187 HydrophobicContact CB-CD2 4Å; F127-W187 VanDerWaalsContact CB-CE2 3.49Å; F127-W187 HydrophobicContact CB-CG 4.17Å; F127-W187 HydrophobicContact CB-CZ2 3.95Å; F127-W187 VanDerWaalsContact CB-NE1 3.31Å; F127-W187 HydrophobicContact CD1-CZ2 4.11Å; F127-W187 AromaticContact CD2-CD2 3.88Å; F127-W187 HydrophobicContact CD2-CD2 3.88Å; F127-W187 AromaticContact CD2-CE2 3.74Å; F127-W187 AromaticContact CD2-CE3 3.9Å; F127-W187 HydrophobicContact CD2-CE3 3.9Å; F127-W187 AromaticContact CD2-CH2 3.73Å; F127-W187 HydrophobicContact CD2-CH2 3.73Å; F127-W187 AromaticContact CD2-CZ2 3.67Å; F127-W187 HydrophobicContact CD2-CZ2 3.67Å; F127-W187 AromaticContact CD2-CZ3 3.87Å; F127-W187 HydrophobicContact CD2-CZ3 3.87Å; F127-W187 HydrophobicContact CE2-CE3 4.44Å; F127-W187 AromaticContact CE2-CH2 3.83Å; F127-W187 HydrophobicContact CE2-CH2 3.83Å; F127-W187 HydrophobicContact CE2-CZ2 4.17Å; F127-W187 AromaticContact CE2-CZ3 4Å; F127-W187 HydrophobicContact CE2-CZ3 4Å; F127-W187 HydrophobicContact CG-CD2 4.21Å; F127-W187 AromaticContact CG-CE2 3.67Å; F127-W187 HydrophobicContact CG-CH2 4.16Å; F127-W187 AromaticContact CG-CZ2 3.64Å; F127-W187 HydrophobicContact CG-CZ2 3.64Å; F127-W187 HydrophobicContact CZ-CH2 4.33Å; F127-W187 PolarHBondContact N-O 3.13Å; F127-W187 PolarHBondContact O-N 3.39Å; F127-W187 VanDerWaalsContact O-N 3.08Å; F153-W187 HydrophobicContact CD2-CE3 4.12Å; F153-W187 HydrophobicContact CD2-CZ3 4.43Å; F153-W187 HydrophobicContact CE2-CD2 4.48Å; F153-W187 AromaticContact CE2-CE3 3.57Å; F153-W187 HydrophobicContact CE2-CE3 3.57Å; F153-W187 AromaticContact CE2-CZ3 3.89Å; F153-W187 HydrophobicContact CE2-CZ3 3.89Å; L154-W187 CarbonylContact O-C 3.57Å; L154-W187 VanDerWaalsContact O-CA 3.29Å; L154-W187 WeakPolarHBondContact O-CA 3.47Å; L154-W187 VanDerWaalsContact O-CB 3.26Å; L154-W187 WeakPolarHBondContact O-CB 3.32Å; P181-W187 HydrophobicContact CB-CB 4.06Å; P181-W187 HydrophobicContact CB-CG 4.43Å; F183-W187 AromaticContact CD1-CD1 3.48Å; F183-W187 VanDerWaalsContact CD1-CD1 3.48Å; F183-W187 HydrophobicContact CD1-CG 4.24Å; F183-W187 AromaticContact CD1-NE1 3.33Å; F183-W187 VanDerWaalsContact CD1-NE1 3.33Å; F183-W187 AromaticContact CE1-CD1 3.73Å; F183-W187 HydrophobicContact CE1-CD2 4.08Å; F183-W187 AromaticContact CE1-CE2 3.46Å; F183-W187 VanDerWaalsContact CE1-CE2 3.46Å; F183-W187 HydrophobicContact CE1-CG 4.23Å; F183-W187 AromaticContact CE1-CZ2 3.87Å; F183-W187 HydrophobicContact CE1-CZ2 3.87Å; F183-W187 AromaticContact CE1-NE1 3.21Å; F183-W187 HydrophobicContact CE2-CZ2 4.36Å; F183-W187 AromaticContact CE2-NE1 3.93Å; F183-W187 AromaticContact CG-NE1 3.75Å; F183-W187 AromaticContact CZ-CE2 3.67Å; F183-W187 AromaticContact CZ-CZ2 3.62Å; F183-W187 HydrophobicContact CZ-CZ2 3.62Å; F183-W187 AromaticContact CZ-NE1 3.55Å; W187-L189 HydrophobicContact CE3-CD2 4.23Å; W187-L189 HydrophobicContact CE3-CG 4.1Å; W187-L189 HydrophobicContact CH2-CD1 4.22Å; W187-L189 HydrophobicContact CZ3-CD1 3.67Å; W187-L189 HydrophobicContact CZ3-CD2 3.84Å; W187-L189 HydrophobicContact CZ3-CG 3.59Å; W187-V218 HydrophobicContact CH2-CG1 3.66Å; W187-V218 HydrophobicContact CZ2-CG1 4.37Å; W187-V218 HydrophobicContact CZ3-CG1 3.98Å
188	A	98.8	Very high	98	Very high	1 Å²	1	12.9 Å²	12.9	1%	0.008	6%	0.063	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	146.8	-175.3	0	0	0	0	0	113.1	W124 I125 M126 L143 L154	W124-A188 HydrophobicContact CE3-CB 4.16Å; I125-A188 CarbonylContact O-C 3.59Å; I125-A188 VanDerWaalsContact O-CA 3.26Å; I125-A188 WeakPolarHBondContact O-CA 3.4Å; M126-A188 HydrophobicContact SD-CB 3.81Å; L143-A188 HydrophobicContact CD2-CB 4.27Å; L154-A188 HydrophobicContact CB-CB 4.23Å; L154-A188 HydrophobicContact CD1-CB 4.49Å; L154-A188 PolarHBondContact N-O 3.04Å; L154-A188 PolarHBondContact O-N 3.36Å
189	L	98.8	Very high	98.1	Very high	1 Å²	1	14.9 Å²	14.9	1%	0.005	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	133.7	169.1	-60.4	179.6	0	0	0	109.5	I125 F127 W152 F153 W187 L193 I194 L197 I222	I125-L189 PolarHBondContact N-O 3.36Å; I125-L189 PolarHBondContact O-N 3.37Å; F127-L189 HydrophobicContact CE2-CD1 4.05Å; F127-L189 HydrophobicContact CE2-CG 4.18Å; W152-L189 WeakPolarHBondContact O-CA 3.18Å; F153-L189 HydrophobicContact CB-CD2 4.09Å; F153-L189 HydrophobicContact CD2-CD2 3.49Å; F153-L189 VanDerWaalsContact CD2-CD2 3.49Å; F153-L189 HydrophobicContact CE2-CD2 4.22Å; F153-L189 HydrophobicContact CG-CD2 4.07Å; W187-L189 HydrophobicContact CE3-CD2 4.23Å; W187-L189 HydrophobicContact CE3-CG 4.1Å; W187-L189 HydrophobicContact CH2-CD1 4.22Å; W187-L189 HydrophobicContact CZ3-CD1 3.67Å; W187-L189 HydrophobicContact CZ3-CD2 3.84Å; W187-L189 HydrophobicContact CZ3-CG 3.59Å; L189-L193 HydrophobicContact CD2-CD2 3.67Å; L189-L193 HydrophobicContact CD2-CG 4.47Å; L189-I194 HydrophobicContact CB-CD1 3.72Å; L189-I194 HydrophobicContact CB-CG1 3.81Å; L189-I194 HydrophobicContact CD1-CD1 3.45Å; L189-I194 VanDerWaalsContact CD1-CD1 3.45Å; L189-I194 HydrophobicContact CD1-CG1 4.37Å; L189-I194 HydrophobicContact CG-CD1 4.2Å; L189-L197 HydrophobicContact CD1-CD1 4.29Å; L189-I222 HydrophobicContact CD1-CD1 4.42Å; L189-I222 HydrophobicContact CD2-CD1 3.77Å
190	S	98.7	Very high	98	Very high	0 Å²	0	12.8 Å²	12.8	0%	0	7%	0.068	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67	148.3	167.3	63.8	0	0	0	0	110.2	K150 E151 W152 L193 I194	K150-S190 WeakPolarHBondContact O-CB 3.24Å; K150-S190 PolarHBondContact O-OG 3.34Å; E151-S190 WeakPolarHBondContact CA-OG 3.33Å; W152-S190 PolarHBondContact N-OG 3.24Å; W152-S190 PolarHBondContact O-N 3.32Å; S190-L193 WeakPolarHBondContact O-CB 3.2Å; S190-L193 PolarHBondContact O-N 3.14Å; S190-L193 VanDerWaalsContact O-N 3.09Å; S190-L193 WeakPolarHBondContact OG-CB 3.47Å; S190-I194 PolarHBondContact O-N 2.86Å
191	I	98.3	Very high	97.8	Very high	8 Å²	8	13.6 Å²	13.6	4%	0.041	7%	0.072	C	C	.	.	H	α-helix	trans	-59.8	-38.4	178.3	-74	-66.8	0	0	0	114.6	F118 G119 S122 S123 I125 L193 I194 N195	F118-I191 HydrophobicContact CB-CD1 4.41Å; G119-I191 VanDerWaalsContact O-CG2 3.24Å; G119-I191 WeakPolarHBondContact O-CG2 3.46Å; S122-I191 WeakPolarHBondContact O-CG1 3.33Å; S123-I191 PolarHBondContact O-N 3.03Å; I125-I191 HydrophobicContact CD1-CD1 4.04Å; I125-I191 HydrophobicContact CG1-CD1 3.79Å; I191-L193 VanDerWaalsContact C-N 3.25Å; I191-L193 PolarHBondContact O-N 2.76Å; I191-I194 HydrophobicContact CD1-CB 4.39Å; I191-I194 HydrophobicContact CD1-CG1 4.45Å; I191-I194 PolarHBondContact O-N 2.84Å; I191-I194 VanDerWaalsContact O-N 3.16Å; I191-N195 VanDerWaalsContact O-CG 3.31Å; I191-N195 PolarHBondContact O-N 2.97Å
192	P	98.4	Very high	97.5	Very high	40 Å²	40	19.9 Å²	19.9	26%	0.26	10%	0.102	S	C	.	.	H	α-helix	trans	-52.9	-43.1	171.7	-29.3	36.4	0	0	0	113.2	R148 E151 N195 R196	R148-P192 WeakPolarHBondContact O-CD 3.29Å; R148-P192 WeakPolarHBondContact O-CG 3.16Å; E151-P192 HydrophobicContact CG-CB 4.23Å; P192-N195 PolarHBondContact O-N 2.96Å; P192-R196 PolarHBondContact O-N 2.87Å; P192-R196 VanDerWaalsContact O-N 3.09Å
193	L	98.5	Very high	97.3	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-68	-44	176.8	-179	57.1	0	0	0	111.9	E151 W152 F153 L189 S190 I191 N195 R196 L197 I222 P229	E151-L193 HydrophobicContact CB-CB 4.01Å; E151-L193 HydrophobicContact CB-CD1 4.41Å; E151-L193 HydrophobicContact CG-CB 4.09Å; E151-L193 HydrophobicContact CG-CD1 4.5Å; E151-L193 WeakPolarHBondContact OE2-CD1 3.28Å; W152-L193 WeakPolarHBondContact O-CD2 3.33Å; F153-L193 HydrophobicContact CB-CD2 4.01Å; L189-L193 HydrophobicContact CD2-CD2 3.67Å; L189-L193 HydrophobicContact CD2-CG 4.47Å; S190-L193 WeakPolarHBondContact O-CB 3.2Å; S190-L193 PolarHBondContact O-N 3.14Å; S190-L193 VanDerWaalsContact O-N 3.09Å; S190-L193 WeakPolarHBondContact OG-CB 3.47Å; I191-L193 VanDerWaalsContact C-N 3.25Å; I191-L193 PolarHBondContact O-N 2.76Å; L193-N195 VanDerWaalsContact C-N 3.28Å; L193-N195 PolarHBondContact O-N 2.85Å; L193-R196 PolarHBondContact O-N 3.46Å; L193-L197 HydrophobicContact CD1-CD1 3.95Å; L193-L197 HydrophobicContact CD1-CD2 4.32Å; L193-L197 HydrophobicContact CD1-CG 3.92Å; L193-L197 HydrophobicContact CG-CD1 3.86Å; L193-L197 HydrophobicContact CG-CG 4.29Å; L193-L197 WeakPolarHBondContact O-CB 3.1Å; L193-L197 VanDerWaalsContact O-CG 3.23Å; L193-L197 WeakPolarHBondContact O-CG 3.5Å; L193-L197 PolarHBondContact O-N 3.37Å; L193-I222 HydrophobicContact CD1-CG2 4.42Å; L193-I222 HydrophobicContact CD2-CG2 4.16Å; L193-P229 HydrophobicContact CD1-CG 3.95Å; L193-P229 HydrophobicContact CD2-CG 3.81Å
194	I	98.5	Very high	97	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-55	-45.8	174.6	-69.7	-71.8	0	0	0	111	L111 I125 L189 S190 I191 L197 A198	L111-I194 HydrophobicContact CD2-CD1 3.81Å; I125-I194 HydrophobicContact CB-CD1 4.49Å; I125-I194 HydrophobicContact CD1-CD1 3.93Å; I125-I194 HydrophobicContact CD1-CG1 3.9Å; I125-I194 HydrophobicContact CD1-CG2 4.17Å; I125-I194 HydrophobicContact CG1-CD1 4.44Å; I125-I194 HydrophobicContact CG1-CG1 4.17Å; L189-I194 HydrophobicContact CB-CD1 3.72Å; L189-I194 HydrophobicContact CB-CG1 3.81Å; L189-I194 HydrophobicContact CD1-CD1 3.45Å; L189-I194 VanDerWaalsContact CD1-CD1 3.45Å; L189-I194 HydrophobicContact CD1-CG1 4.37Å; L189-I194 HydrophobicContact CG-CD1 4.2Å; S190-I194 PolarHBondContact O-N 2.86Å; I191-I194 HydrophobicContact CD1-CB 4.39Å; I191-I194 HydrophobicContact CD1-CG1 4.45Å; I191-I194 PolarHBondContact O-N 2.84Å; I191-I194 VanDerWaalsContact O-N 3.16Å; I194-L197 PolarHBondContact O-N 3.26Å; I194-A198 VanDerWaalsContact O-CB 3.24Å; I194-A198 WeakPolarHBondContact O-CB 3.5Å; I194-A198 PolarHBondContact O-N 2.8Å
195	N	98.3	Very high	96.4	Very high	49 Å²	49	35.3 Å²	35.3	26%	0.262	18%	0.181	S	C	.	.	H	α-helix	trans	-64.3	-44.6	-179.2	-68	-14	0	0	0	111.3	S115 G119 I191 P192 L193 A198 S199	S115-N195 PolarHBondContact OG-OD1 2.91Å; S115-N195 VanDerWaalsContact OG-OD1 3.09Å; G119-N195 VanDerWaalsContact CA-OD1 3.29Å; G119-N195 WeakPolarHBondContact CA-OD1 3.39Å; G119-N195 PolarHBondContact O-ND2 3.27Å; G119-N195 VanDerWaalsContact O-ND2 3.07Å; I191-N195 VanDerWaalsContact O-CG 3.31Å; I191-N195 PolarHBondContact O-N 2.97Å; P192-N195 PolarHBondContact O-N 2.96Å; L193-N195 VanDerWaalsContact C-N 3.28Å; L193-N195 PolarHBondContact O-N 2.85Å; N195-A198 PolarHBondContact O-N 3.4Å; N195-S199 PolarHBondContact O-N 3.18Å; N195-S199 PolarHBondContact O-OG 3.48Å
196	R	97.7	Very high	95.9	Very high	63 Å²	63	36.5 Å²	36.5	24%	0.238	19%	0.187	C	C	.	.	H	α-helix	trans	-59.6	-47.9	175.8	-176.5	176.4	70.5	87.3	1.4	111.7	E151 P192 L193 S199 K200 E224	E151-R196 WeakPolarHBondContact OE1-CD 3.43Å; E151-R196 IonicContact OE1-NE 2.65Å; E151-R196 PolarHBondContact OE1-NE 2.85Å; E151-R196 VanDerWaalsContact OE1-NE 3.17Å; E151-R196 IonicContact OE2-CZ 2.97Å; E151-R196 IonicContact OE2-NE 3.75Å; E151-R196 PolarHBondContact OE2-NE 2.94Å; E151-R196 IonicContact OE2-NH2 3.52Å; E151-R196 PolarHBondContact OE2-NH2 3.38Å; P192-R196 PolarHBondContact O-N 2.87Å; P192-R196 VanDerWaalsContact O-N 3.09Å; L193-R196 PolarHBondContact O-N 3.46Å; R196-S199 PolarHBondContact O-N 3.32Å; R196-K200 PolarHBondContact O-N 3.17Å; R196-E224 IonicContact NH1-OE2 3.47Å; R196-E224 PolarHBondContact NH1-OE2 3.37Å
197	L	97.4	Very high	95	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-65.5	-39.7	-179.1	-65	172.1	0	0	0	111.8	L111 L189 L193 I194 K200 I201 Y221 I222	L111-L197 HydrophobicContact CD1-CB 3.74Å; L111-L197 HydrophobicContact CD1-CD1 4Å; L189-L197 HydrophobicContact CD1-CD1 4.29Å; L193-L197 HydrophobicContact CD1-CD1 3.95Å; L193-L197 HydrophobicContact CD1-CD2 4.32Å; L193-L197 HydrophobicContact CD1-CG 3.92Å; L193-L197 HydrophobicContact CG-CD1 3.86Å; L193-L197 HydrophobicContact CG-CG 4.29Å; L193-L197 WeakPolarHBondContact O-CB 3.1Å; L193-L197 VanDerWaalsContact O-CG 3.23Å; L193-L197 WeakPolarHBondContact O-CG 3.5Å; L193-L197 PolarHBondContact O-N 3.37Å; I194-L197 PolarHBondContact O-N 3.26Å; L197-K200 PolarHBondContact O-N 2.92Å; L197-I201 WeakPolarHBondContact O-CG1 3.29Å; L197-I201 PolarHBondContact O-N 3.34Å; L197-Y221 HydrophobicContact CD2-CD1 4.05Å; L197-Y221 HydrophobicContact CD2-CE1 3.95Å; L197-I222 HydrophobicContact CD1-CD1 4.41Å; L197-I222 HydrophobicContact CD1-CG1 3.84Å; L197-I222 HydrophobicContact CD2-CG1 4.35Å
198	A	97.2	Very high	94.1	Very high	1 Å²	1	47 Å²	47	1%	0.008	24%	0.242	C	C	.	.	H	α-helix	trans	-60.6	-49.8	175.3	0	0	0	0	0	111.8	I194 N195 K200 I201 E202	I194-A198 VanDerWaalsContact O-CB 3.24Å; I194-A198 WeakPolarHBondContact O-CB 3.5Å; I194-A198 PolarHBondContact O-N 2.8Å; N195-A198 PolarHBondContact O-N 3.4Å; A198-K200 VanDerWaalsContact C-N 3.29Å; A198-K200 PolarHBondContact O-N 3.05Å; A198-I201 PolarHBondContact O-N 3.12Å; A198-I201 VanDerWaalsContact O-N 3.13Å; A198-E202 WeakPolarHBondContact O-CG 3.24Å; A198-E202 PolarHBondContact O-N 3.39Å
199	S	96.9	Very high	93.6	Very high	53 Å²	53	51.5 Å²	51.5	37%	0.371	27%	0.266	S	S	.	.	H	α-helix	trans	-59.1	-41.4	176.5	-63.8	0	0	0	0	111.9	N195 R196 I201 E202 E203	N195-S199 PolarHBondContact O-N 3.18Å; N195-S199 PolarHBondContact O-OG 3.48Å; R196-S199 PolarHBondContact O-N 3.32Å; S199-I201 VanDerWaalsContact C-N 3.33Å; S199-I201 PolarHBondContact O-N 3.47Å; S199-E202 PolarHBondContact O-N 2.87Å; S199-E203 WeakPolarHBondContact O-CG 3.41Å; S199-E203 PolarHBondContact O-N 2.91Å
200	K	95.5	Very high	93.3	Very high	37 Å²	37	55 Å²	55	16%	0.161	28%	0.281	C	S	.	.	H	α-helix	trans	-59	-42.4	175.2	-176.9	-176.9	171.1	-176.6	0	112.4	R196 L197 A198 E202 E203 E204 Y221 E224	R196-K200 PolarHBondContact O-N 3.17Å; L197-K200 PolarHBondContact O-N 2.92Å; A198-K200 VanDerWaalsContact C-N 3.29Å; A198-K200 PolarHBondContact O-N 3.05Å; K200-E202 VanDerWaalsContact C-N 3.35Å; K200-E203 PolarHBondContact O-N 2.92Å; K200-E204 PolarHBondContact O-N 3.26Å; K200-Y221 HydrophobicContact CD-CE1 4.21Å; K200-Y221 WeakPolarHBondContact CD-OH 3.26Å; K200-Y221 WeakPolarHBondContact CG-OH 3.4Å; K200-Y221 PolarHBondContact NZ-O 3.31Å; K200-E224 IonicContact NZ-OE2 3.89Å; K200-E224 PolarHBondContact NZ-OE2 3.14Å
201	I	94.1	Very high	93.1	Very high	17 Å²	17	55.4 Å²	55.4	9%	0.087	28%	0.284	C	S	.	.	H	α-helix	trans	-68.5	-35.4	179.3	-69.5	173.5	0	0	0	111.8	L108 L111 P112 L197 A198 S199 E204 L206 Y221	L108-I201 HydrophobicContact CB-CD1 4.16Å; L108-I201 WeakPolarHBondContact O-CD1 3.33Å; L111-I201 HydrophobicContact CB-CD1 4.15Å; L111-I201 HydrophobicContact CD1-CD1 4.07Å; L111-I201 HydrophobicContact CG-CD1 4.42Å; P112-I201 HydrophobicContact CG-CB 4.12Å; P112-I201 HydrophobicContact CG-CG2 3.75Å; L197-I201 WeakPolarHBondContact O-CG1 3.29Å; L197-I201 PolarHBondContact O-N 3.34Å; A198-I201 PolarHBondContact O-N 3.12Å; A198-I201 VanDerWaalsContact O-N 3.13Å; S199-I201 VanDerWaalsContact C-N 3.33Å; S199-I201 PolarHBondContact O-N 3.47Å; I201-E204 CarbonylContact O-C 3.54Å; I201-L206 HydrophobicContact CD1-CD2 4.32Å; I201-L206 HydrophobicContact CG1-CD2 4.11Å; I201-Y221 HydrophobicContact CD1-CE1 4.22Å; I201-Y221 HydrophobicContact CG1-CE1 4.11Å; I201-Y221 WeakPolarHBondContact CG1-OH 3.35Å
202	E	93	Very high	93	Very high	132 Å²	132	56.5 Å²	56.5	62%	0.617	29%	0.289	S	S	*	.	H	α-helix	trans	-69.3	-36.5	176.3	-70.3	174.8	169.8	0	0	112.1	P112 A198 S199 K200	P112-E202 HydrophobicContact CB-CG 4.27Å; P112-E202 HydrophobicContact CG-CG 4.37Å; A198-E202 WeakPolarHBondContact O-CG 3.24Å; A198-E202 PolarHBondContact O-N 3.39Å; S199-E202 PolarHBondContact O-N 2.87Å; K200-E202 VanDerWaalsContact C-N 3.35Å
203	E	94.2	Very high	92.9	Very high	167 Å²	167	55.5 Å²	55.5	78%	0.78	28%	0.282	S	S	*	.	H	α-helix	trans	-77.6	-41.1	177.5	-71.1	175.1	-171.7	0	0	112.7	S199 K200	S199-E203 WeakPolarHBondContact O-CG 3.41Å; S199-E203 PolarHBondContact O-N 2.91Å; K200-E203 PolarHBondContact O-N 2.92Å
204	E	91.2	Very high	92.8	Very high	88 Å²	88	56.6 Å²	56.6	41%	0.411	29%	0.288	S	S	.	.	S	Bend	trans	-129	99.7	-178.3	-172.2	176	-166.8	0	0	110	K200 I201 K207	K200-E204 PolarHBondContact O-N 3.26Å; I201-E204 CarbonylContact O-C 3.54Å; E204-K207 WeakPolarHBondContact OE1-CE 3.36Å; E204-K207 IonicContact OE1-NZ 2.76Å; E204-K207 PolarHBondContact OE1-NZ 3.32Å
205	P	83.5	Confident	92.7	Very high	85 Å²	85	57.1 Å²	57.1	55%	0.552	29%	0.29	S	S	*	.			trans	-55.6	144.3	176.8	-26.6	34.4	0	0	0	112.1	K207	P205-K207 PolarHBondContact O-N 3.35Å
206	L	88.5	Confident	92.6	Very high	25 Å²	25	55 Å²	55	13%	0.131	28%	0.278	C	S	.	.			trans	-56.4	124.4	-179.3	-62.1	169.8	0	0	0	111	L108 P109 I201 Y221 Q385	L108-L206 HydrophobicContact CB-CD1 3.67Å; L108-L206 HydrophobicContact CB-CD2 4.08Å; L108-L206 HydrophobicContact CD1-CD2 4.01Å; P109-L206 HydrophobicContact CG-CD1 3.79Å; I201-L206 HydrophobicContact CD1-CD2 4.32Å; I201-L206 HydrophobicContact CG1-CD2 4.11Å; L206-Y221 HydrophobicContact CD2-CD2 4.25Å; L206-Y221 HydrophobicContact CD2-CE2 3.68Å; L206-Q385 PolarHBondContact O-NE2 3.12Å
207	K	79.4	Confident	92.6	Very high	149 Å²	149	53.7 Å²	53.7	65%	0.648	28%	0.275	S	S	*	.			trans	-95.7	-5.2	-175.3	-68	178.1	176.2	166.3	0	114.5	E204 P205 D209	E204-K207 WeakPolarHBondContact OE1-CE 3.36Å; E204-K207 IonicContact OE1-NZ 2.76Å; E204-K207 PolarHBondContact OE1-NZ 3.32Å; P205-K207 PolarHBondContact O-N 3.35Å; K207-D209 PolarHBondContact O-N 2.96Å
208	S	79.9	Confident	92.5	Very high	71 Å²	71	53.8 Å²	53.8	50%	0.497	28%	0.275	S	S	.	.			trans	-71.7	121.7	-176.6	-160.9	0	0	0	0	110.8	F210	S208-F210 VanDerWaalsContact C-N 3.31Å; S208-F210 PolarHBondContact OG-O 3.43Å
209	D	86.7	Confident	92.6	Very high	96 Å²	96	53.8 Å²	53.8	51%	0.513	28%	0.276	S	S	.	.	S	Bend	trans	-71.4	-30.7	172.9	-70.5	-27.5	0	0	0	111.3	K207 Y381 G382	K207-D209 PolarHBondContact O-N 2.96Å; D209-Y381 HydrophobicContact CB-CE2 4.34Å; D209-Y381 CarbonylContact O-C 3.58Å; D209-Y381 WeakPolarHBondContact O-CA 3.44Å; D209-Y381 VanDerWaalsContact O-CD2 3.25Å; D209-Y381 WeakPolarHBondContact O-CD2 3.17Å; D209-G382 PolarHBondContact O-N 3.17Å
210	F	93.4	Very high	92.5	Very high	73 Å²	73	54 Å²	54	32%	0.32	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	148.1	-175.6	-65.9	-85.8	0	0	0	112	S208 I212 G380 Y381 M423	S208-F210 VanDerWaalsContact C-N 3.31Å; S208-F210 PolarHBondContact OG-O 3.43Å; F210-I212 HydrophobicContact CB-CG1 4.21Å; F210-G380 CarbonylContact C-O 3.53Å; F210-G380 VanDerWaalsContact CA-O 3.3Å; F210-G380 WeakPolarHBondContact CA-O 3.19Å; F210-Y381 HydrophobicContact CD1-CD2 4.03Å; F210-Y381 AromaticContact CE1-CD2 3.61Å; F210-Y381 HydrophobicContact CE1-CD2 3.61Å; F210-Y381 HydrophobicContact CE1-CE2 4.23Å; F210-Y381 HydrophobicContact CE2-CD2 4.29Å; F210-Y381 HydrophobicContact CE2-CE2 4.26Å; F210-Y381 AromaticContact CZ-CD2 3.75Å; F210-Y381 HydrophobicContact CZ-CD2 3.75Å; F210-Y381 AromaticContact CZ-CE2 3.89Å; F210-Y381 HydrophobicContact CZ-CE2 3.89Å; F210-M423 HydrophobicContact CE1-CE 3.93Å; F210-M423 HydrophobicContact CE1-SD 4.22Å; F210-M423 HydrophobicContact CZ-CE 4.29Å
211	T	95.5	Very high	92.5	Very high	10 Å²	10	54.2 Å²	54.2	6%	0.061	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	110.6	165.6	-64	0	0	0	0	108	W105 L214 E217 Y379 G380	W105-T211 HydrophobicContact CH2-CG2 3.48Å; W105-T211 VanDerWaalsContact CH2-CG2 3.48Å; W105-T211 HydrophobicContact CZ2-CG2 4.19Å; W105-T211 HydrophobicContact CZ3-CG2 3.89Å; T211-L214 HydrophobicContact CG2-CB 4.46Å; T211-L214 HydrophobicContact CG2-CD1 4.39Å; T211-E217 WeakPolarHBondContact CA-OE1 3.44Å; T211-E217 WeakPolarHBondContact CA-OE2 3.45Å; T211-E217 WeakPolarHBondContact CG2-OE2 3.42Å; T211-E217 PolarHBondContact OG1-OE2 2.92Å; T211-Y379 CarbonylContact O-C 3.45Å; T211-Y379 VanDerWaalsContact O-CA 3.23Å; T211-Y379 WeakPolarHBondContact O-CA 2.93Å; T211-Y379 WeakPolarHBondContact O-CB 3.49Å; T211-G380 PolarHBondContact N-O 3.44Å; T211-G380 PolarHBondContact O-N 3.39Å
212	I	95.6	Very high	92.7	Very high	31 Å²	31	53.5 Å²	53.5	16%	0.159	27%	0.268	C	S	.	.	S	Bend	trans	-111.8	-65.5	-172.2	-63.8	-174.9	0	0	0	109.6	I166 F210 E217 Y379	I166-I212 HydrophobicContact CB-CG2 4.1Å; I166-I212 WeakPolarHBondContact O-CG2 3.41Å; F210-I212 HydrophobicContact CB-CG1 4.21Å; I212-E217 PolarHBondContact N-OE1 2.95Å; I212-Y379 HydrophobicContact CB-CE1 4.42Å; I212-Y379 HydrophobicContact CB-CE2 4.24Å; I212-Y379 HydrophobicContact CD1-CE2 4.46Å; I212-Y379 HydrophobicContact CG1-CD2 4.01Å; I212-Y379 HydrophobicContact CG1-CE2 3.98Å; I212-Y379 HydrophobicContact CG2-CE1 4Å; I212-Y379 HydrophobicContact CG2-CE2 3.81Å; I212-Y379 WeakPolarHBondContact O-CE1 3.32Å
213	D	96.2	Very high	92.9	Very high	19 Å²	19	49 Å²	49	10%	0.102	25%	0.246	C	C	.	.			trans	-116.8	95.1	174.1	-167.3	-17.3	0	0	0	109.9	H167 K215 H216 E217	H167-D213 IonicContact CD2-OD2 2.91Å; H167-D213 IonicContact CE1-OD2 3.34Å; H167-D213 IonicContact NE2-OD2 3.47Å; H167-D213 PolarHBondContact NE2-OD2 3.43Å; D213-K215 VanDerWaalsContact C-N 3.32Å; D213-K215 PolarHBondContact O-N 3.4Å; D213-K215 WeakPolarHBondContact OD1-CE 3.46Å; D213-K215 WeakPolarHBondContact OD1-CG 3Å; D213-K215 PolarHBondContact OD1-N 3.09Å; D213-K215 WeakPolarHBondContact OD2-CE 3.49Å; D213-K215 IonicContact OD2-NZ 3.49Å; D213-H216 HydrophobicContact CB-CB 4.27Å; D213-H216 PolarHBondContact O-N 2.71Å; D213-E217 PolarHBondContact N-OE1 2.88Å; D213-E217 WeakPolarHBondContact O-CG 3.4Å; D213-E217 PolarHBondContact O-N 3.35Å
214	L	95.6	Very high	92.9	Very high	23 Å²	23	43.3 Å²	43.3	12%	0.12	22%	0.219	C	C	.	.	H	α-helix	trans	-56.1	-41.3	-173.3	175.5	59	0	0	0	113.4	W105 S106 I107 F183 T211 H216 E217 V218	W105-L214 HydrophobicContact CE3-CD2 3.92Å; W105-L214 HydrophobicContact CZ3-CB 4.34Å; W105-L214 HydrophobicContact CZ3-CD2 4Å; W105-L214 VanDerWaalsContact O-CD2 3.27Å; W105-L214 WeakPolarHBondContact O-CD2 3.31Å; S106-L214 VanDerWaalsContact O-CD1 3.23Å; S106-L214 WeakPolarHBondContact O-CD1 3.35Å; I107-L214 HydrophobicContact CG1-CD2 4.42Å; F183-L214 HydrophobicContact CE2-CD2 3.75Å; F183-L214 HydrophobicContact CE2-CG 3.78Å; F183-L214 HydrophobicContact CZ-CG 4.23Å; T211-L214 HydrophobicContact CG2-CB 4.46Å; T211-L214 HydrophobicContact CG2-CD1 4.39Å; L214-H216 VanDerWaalsContact C-N 3.34Å; L214-H216 PolarHBondContact O-N 2.92Å; L214-E217 PolarHBondContact O-N 2.8Å; L214-V218 HydrophobicContact CD1-CG2 3.79Å; L214-V218 HydrophobicContact CG-CG2 4.4Å; L214-V218 WeakPolarHBondContact O-CB 3.43Å; L214-V218 VanDerWaalsContact O-CG2 3.31Å; L214-V218 WeakPolarHBondContact O-CG2 2.88Å; L214-V218 PolarHBondContact O-N 2.81Å
215	K	97.1	Very high	92.9	Very high	10 Å²	10	45.8 Å²	45.8	4%	0.043	24%	0.235	C	C	.	.	H	α-helix	trans	-66.1	-39.5	-177.9	45	173.9	-175.8	175	0	111	L158 Y180 P181 F183 D213 A219	L158-K215 HydrophobicContact CD1-CD 3.97Å; Y180-K215 HydrophobicContact CD2-CB 4.38Å; Y180-K215 HydrophobicContact CD2-CD 3.81Å; Y180-K215 HydrophobicContact CD2-CG 4.01Å; Y180-K215 HydrophobicContact CE2-CD 3.86Å; Y180-K215 HydrophobicContact CE2-CG 4.4Å; P181-K215 WeakPolarHBondContact O-CB 3.41Å; F183-K215 HydrophobicContact CD1-CB 3.71Å; F183-K215 HydrophobicContact CE1-CB 3.67Å; F183-K215 HydrophobicContact CG-CB 4.19Å; F183-K215 HydrophobicContact CZ-CB 4.1Å; D213-K215 VanDerWaalsContact C-N 3.32Å; D213-K215 PolarHBondContact O-N 3.4Å; D213-K215 WeakPolarHBondContact OD1-CE 3.46Å; D213-K215 WeakPolarHBondContact OD1-CG 3Å; D213-K215 PolarHBondContact OD1-N 3.09Å; D213-K215 WeakPolarHBondContact OD2-CE 3.49Å; D213-K215 IonicContact OD2-NZ 3.49Å; K215-A219 WeakPolarHBondContact O-CB 3.37Å; K215-A219 PolarHBondContact O-N 2.78Å; K215-A219 VanDerWaalsContact O-N 3.15Å
216	H	97.1	Very high	93.4	Very high	5 Å²	5	44 Å²	44	2%	0.023	23%	0.232	C	C	.	.	H	α-helix	trans	-71.1	-42.1	177	-177.7	-89.8	0	0	0	111.3	H167 F178 Y180 D213 L214 A219 L220	H167-H216 VanDerWaalsContact CD2-CB 3.46Å; H167-H216 WeakPolarHBondContact CD2-CB 3.4Å; H167-H216 AromaticContact CD2-CD2 3.72Å; H167-H216 AromaticContact CD2-CG 3.32Å; H167-H216 AromaticContact CD2-ND1 3.63Å; H167-H216 AromaticContact CE1-CD2 3.67Å; H167-H216 AromaticContact CE1-CG 3.9Å; H167-H216 AromaticContact CG-CD2 3.53Å; H167-H216 AromaticContact CG-CE1 3.79Å; H167-H216 AromaticContact CG-CG 3.59Å; H167-H216 AromaticContact CG-ND1 3.75Å; H167-H216 AromaticContact CG-NE2 3.71Å; H167-H216 AromaticContact ND1-CD2 3.48Å; H167-H216 PolarHBondContact ND1-CD2 3.24Å; H167-H216 AromaticContact ND1-CG 3.91Å; H167-H216 AromaticContact ND1-NE2 3.86Å; H167-H216 VanDerWaalsContact NE2-CB 3.3Å; H167-H216 WeakPolarHBondContact NE2-CB 3.49Å; H167-H216 AromaticContact NE2-CD2 3.81Å; H167-H216 AromaticContact NE2-CG 3.55Å; F178-H216 AromaticContact CD1-CD2 3.89Å; F178-H216 AromaticContact CD1-NE2 3.65Å; F178-H216 AromaticContact CE1-CD2 3.81Å; F178-H216 AromaticContact CE1-NE2 3.74Å; Y180-H216 HydrophobicContact CD1-CB 4.46Å; Y180-H216 AromaticContact CD1-CD2 3.61Å; Y180-H216 AromaticContact CE1-CD2 3.93Å; Y180-H216 HydrophobicContact CG-CB 4.3Å; D213-H216 HydrophobicContact CB-CB 4.27Å; D213-H216 PolarHBondContact O-N 2.71Å; L214-H216 VanDerWaalsContact C-N 3.34Å; L214-H216 PolarHBondContact O-N 2.92Å; H216-A219 PolarHBondContact O-N 3.19Å; H216-L220 WeakPolarHBondContact CE1-CD1 3.43Å; H216-L220 WeakPolarHBondContact O-CB 3.49Å; H216-L220 PolarHBondContact O-N 2.72Å
217	E	96	Very high	93.7	Very high	36 Å²	36	50.6 Å²	50.6	17%	0.168	26%	0.26	C	S	.	.	H	α-helix	trans	-63.2	-44	177.5	-73.4	171.7	-157.3	0	0	112.9	T211 I212 D213 L214 A219 L220 Y221	T211-E217 WeakPolarHBondContact CA-OE1 3.44Å; T211-E217 WeakPolarHBondContact CA-OE2 3.45Å; T211-E217 WeakPolarHBondContact CG2-OE2 3.42Å; T211-E217 PolarHBondContact OG1-OE2 2.92Å; I212-E217 PolarHBondContact N-OE1 2.95Å; D213-E217 PolarHBondContact N-OE1 2.88Å; D213-E217 WeakPolarHBondContact O-CG 3.4Å; D213-E217 PolarHBondContact O-N 3.35Å; L214-E217 PolarHBondContact O-N 2.8Å; E217-A219 VanDerWaalsContact C-N 3.34Å; E217-A219 PolarHBondContact O-N 2.85Å; E217-L220 PolarHBondContact O-N 2.71Å; E217-Y221 WeakPolarHBondContact O-CB 3.42Å; E217-Y221 PolarHBondContact O-N 3.36Å
218	V	96.7	Very high	94.6	Very high	1 Å²	1	44.1 Å²	44.1	1%	0.006	24%	0.235	C	C	.	.	H	α-helix	trans	-60.9	-45.5	174.1	167.1	0	0	0	0	110.3	I107 L108 F183 W187 L214 L220 Y221 I222	I107-V218 HydrophobicContact CB-CG2 4.44Å; L108-V218 HydrophobicContact CD2-CG2 4.31Å; L108-V218 HydrophobicContact CG-CG2 4.38Å; F183-V218 HydrophobicContact CZ-CG2 4.37Å; W187-V218 HydrophobicContact CH2-CG1 3.66Å; W187-V218 HydrophobicContact CZ2-CG1 4.37Å; W187-V218 HydrophobicContact CZ3-CG1 3.98Å; L214-V218 HydrophobicContact CD1-CG2 3.79Å; L214-V218 HydrophobicContact CG-CG2 4.4Å; L214-V218 WeakPolarHBondContact O-CB 3.43Å; L214-V218 VanDerWaalsContact O-CG2 3.31Å; L214-V218 WeakPolarHBondContact O-CG2 2.88Å; L214-V218 PolarHBondContact O-N 2.81Å; V218-L220 PolarHBondContact O-N 3.01Å; V218-Y221 PolarHBondContact O-N 3.09Å; V218-I222 HydrophobicContact CG1-CD1 3.75Å; V218-I222 HydrophobicContact CG1-CG1 4.48Å; V218-I222 VanDerWaalsContact O-CG1 3.26Å; V218-I222 WeakPolarHBondContact O-CG1 3.43Å; V218-I222 PolarHBondContact O-N 3.28Å
219	A	97.9	Very high	95.4	Very high	2 Å²	2	42 Å²	42	2%	0.017	22%	0.22	C	C	.	.	H	α-helix	trans	-61.3	-43.8	178.5	0	0	0	0	0	111.9	F153 F178 K215 H216 E217 I222 W223	F153-A219 HydrophobicContact CE1-CB 3.96Å; F153-A219 HydrophobicContact CZ-CB 4.21Å; F178-A219 HydrophobicContact CE1-CB 3.91Å; F178-A219 HydrophobicContact CZ-CB 3.71Å; K215-A219 WeakPolarHBondContact O-CB 3.37Å; K215-A219 PolarHBondContact O-N 2.78Å; K215-A219 VanDerWaalsContact O-N 3.15Å; H216-A219 PolarHBondContact O-N 3.19Å; E217-A219 VanDerWaalsContact C-N 3.34Å; E217-A219 PolarHBondContact O-N 2.85Å; A219-I222 PolarHBondContact O-N 3.21Å; A219-W223 WeakPolarHBondContact O-CB 3.37Å; A219-W223 PolarHBondContact O-N 3.47Å
220	L	96	Very high	95.9	Very high	57 Å²	57	44.3 Å²	44.3	30%	0.298	22%	0.221	S	C	.	.	H	α-helix	trans	-61.7	-44.7	177.2	-86.2	-179.9	0	0	0	111.6	F171 F178 H216 E217 V218 I222 W223 E224	F171-L220 HydrophobicContact CE2-CD2 3.72Å; F171-L220 HydrophobicContact CZ-CD2 3.89Å; F178-L220 HydrophobicContact CE1-CD2 4.11Å; F178-L220 HydrophobicContact CE1-CG 4.05Å; F178-L220 HydrophobicContact CE2-CD2 4.18Å; F178-L220 HydrophobicContact CZ-CB 4.46Å; F178-L220 HydrophobicContact CZ-CD2 3.8Å; F178-L220 HydrophobicContact CZ-CG 3.96Å; H216-L220 WeakPolarHBondContact CE1-CD1 3.43Å; H216-L220 WeakPolarHBondContact O-CB 3.49Å; H216-L220 PolarHBondContact O-N 2.72Å; E217-L220 PolarHBondContact O-N 2.71Å; V218-L220 PolarHBondContact O-N 3.01Å; L220-I222 VanDerWaalsContact C-N 3.3Å; L220-I222 PolarHBondContact O-N 3.49Å; L220-W223 HydrophobicContact CD2-CE3 4.26Å; L220-W223 PolarHBondContact O-N 3.27Å; L220-E224 PolarHBondContact O-N 3.44Å
221	Y	95.8	Very high	96.2	Very high	42 Å²	42	41.5 Å²	41.5	17%	0.165	21%	0.209	C	C	.	.	H	α-helix	trans	-62.5	-39.4	-179.8	-171.6	-94.9	0	0	0	112.3	L108 L197 K200 I201 L206 E217 V218	L108-Y221 HydrophobicContact CD1-CD1 4.2Å; L108-Y221 HydrophobicContact CD1-CD2 4.07Å; L108-Y221 HydrophobicContact CD1-CG 3.78Å; L108-Y221 HydrophobicContact CD2-CD1 3.65Å; L108-Y221 HydrophobicContact CD2-CE1 4.28Å; L108-Y221 HydrophobicContact CD2-CG 4.03Å; L197-Y221 HydrophobicContact CD2-CD1 4.05Å; L197-Y221 HydrophobicContact CD2-CE1 3.95Å; K200-Y221 HydrophobicContact CD-CE1 4.21Å; K200-Y221 WeakPolarHBondContact CD-OH 3.26Å; K200-Y221 WeakPolarHBondContact CG-OH 3.4Å; K200-Y221 PolarHBondContact NZ-O 3.31Å; I201-Y221 HydrophobicContact CD1-CE1 4.22Å; I201-Y221 HydrophobicContact CG1-CE1 4.11Å; I201-Y221 WeakPolarHBondContact CG1-OH 3.35Å; L206-Y221 HydrophobicContact CD2-CD2 4.25Å; L206-Y221 HydrophobicContact CD2-CE2 3.68Å; E217-Y221 WeakPolarHBondContact O-CB 3.42Å; E217-Y221 PolarHBondContact O-N 3.36Å; V218-Y221 PolarHBondContact O-N 3.09Å
222	I	97.6	Very high	96.3	Very high	1 Å²	1	43 Å²	43	1%	0.005	22%	0.219	C	C	.	.	H	α-helix	trans	-69.1	-44.2	176.7	-67.5	171.3	0	0	0	111.2	F153 L189 L193 L197 V218 A219 L220 E224 G228 P229	F153-I222 HydrophobicContact CB-CG2 4.23Å; F153-I222 HydrophobicContact CD1-CB 4.37Å; F153-I222 HydrophobicContact CD1-CD1 4.01Å; F153-I222 HydrophobicContact CD1-CG2 3.89Å; F153-I222 HydrophobicContact CD2-CD1 3.95Å; F153-I222 HydrophobicContact CE1-CD1 3.95Å; F153-I222 HydrophobicContact CE2-CD1 3.87Å; F153-I222 HydrophobicContact CG-CD1 3.99Å; F153-I222 HydrophobicContact CG-CG2 4.23Å; F153-I222 HydrophobicContact CZ-CD1 3.85Å; L189-I222 HydrophobicContact CD1-CD1 4.42Å; L189-I222 HydrophobicContact CD2-CD1 3.77Å; L193-I222 HydrophobicContact CD1-CG2 4.42Å; L193-I222 HydrophobicContact CD2-CG2 4.16Å; L197-I222 HydrophobicContact CD1-CD1 4.41Å; L197-I222 HydrophobicContact CD1-CG1 3.84Å; L197-I222 HydrophobicContact CD2-CG1 4.35Å; V218-I222 HydrophobicContact CG1-CD1 3.75Å; V218-I222 HydrophobicContact CG1-CG1 4.48Å; V218-I222 VanDerWaalsContact O-CG1 3.26Å; V218-I222 WeakPolarHBondContact O-CG1 3.43Å; V218-I222 PolarHBondContact O-N 3.28Å; A219-I222 PolarHBondContact O-N 3.21Å; L220-I222 VanDerWaalsContact C-N 3.3Å; L220-I222 PolarHBondContact O-N 3.49Å; I222-E224 PolarHBondContact O-N 3.01Å; I222-G228 WeakPolarHBondContact O-CA 3.34Å; I222-P229 HydrophobicContact CG2-CG 4.02Å
223	W	96.8	Very high	96.5	Very high	39 Å²	39	43.5 Å²	43.5	15%	0.148	23%	0.232	C	C	.	.	H	α-helix	trans	-65.3	-36.9	-177	178	58.9	0	0	0	112.7	F171 F178 A219 L220 D225 G226 K227 G228	F171-W223 AromaticContact CE1-CH2 3.96Å; F171-W223 HydrophobicContact CE1-CH2 3.96Å; F171-W223 AromaticContact CE1-CZ3 3.96Å; F171-W223 HydrophobicContact CE1-CZ3 3.96Å; F171-W223 HydrophobicContact CZ-CE3 4.09Å; F171-W223 HydrophobicContact CZ-CH2 4.18Å; F171-W223 AromaticContact CZ-CZ3 3.71Å; F171-W223 HydrophobicContact CZ-CZ3 3.71Å; F178-W223 HydrophobicContact CD2-CD2 4.5Å; F178-W223 HydrophobicContact CE2-CB 3.96Å; F178-W223 HydrophobicContact CE2-CD2 4.02Å; F178-W223 HydrophobicContact CE2-CE3 4.13Å; F178-W223 AromaticContact CE2-CG 3.96Å; F178-W223 HydrophobicContact CE2-CG 3.96Å; A219-W223 WeakPolarHBondContact O-CB 3.37Å; A219-W223 PolarHBondContact O-N 3.47Å; L220-W223 HydrophobicContact CD2-CE3 4.26Å; L220-W223 PolarHBondContact O-N 3.27Å; W223-D225 PolarHBondContact O-N 3.23Å; W223-G226 VanDerWaalsContact CE2-N 3.3Å; W223-G226 PolarHBondContact O-N 2.93Å; W223-K227 PolarHBondContact O-N 3.03Å; W223-G228 PolarHBondContact O-N 3.02Å
224	E	93.9	Very high	96.6	Very high	46 Å²	46	42.8 Å²	42.8	22%	0.215	23%	0.228	C	C	.	.	G	3₁₀ helix	trans	50.1	56.4	171.7	-167	-171.5	162.3	0	0	113	R196 K200 L220 I222 G226 K227	R196-E224 IonicContact NH1-OE2 3.47Å; R196-E224 PolarHBondContact NH1-OE2 3.37Å; K200-E224 IonicContact NZ-OE2 3.89Å; K200-E224 PolarHBondContact NZ-OE2 3.14Å; L220-E224 PolarHBondContact O-N 3.44Å; I222-E224 PolarHBondContact O-N 3.01Å; E224-G226 PolarHBondContact O-N 2.97Å; E224-K227 HydrophobicContact CB-CB 4.31Å; E224-K227 HydrophobicContact CG-CB 4.26Å; E224-K227 HydrophobicContact CG-CD 4.28Å; E224-K227 WeakPolarHBondContact O-CB 3.43Å; E224-K227 WeakPolarHBondContact O-CG 3.41Å; E224-K227 PolarHBondContact O-N 3.39Å
225	D	92.2	Very high	96.6	Very high	141 Å²	141	46.8 Å²	46.8	75%	0.754	26%	0.255	S	S	*	.	G	3₁₀ helix	trans	51.5	33.1	-179.2	-57.8	-45.6	0	0	0	113.6	W223	W223-D225 PolarHBondContact O-N 3.23Å
226	G	94	Very high	96.7	Very high	47 Å²	47	48.2 Å²	48.2	49%	0.485	26%	0.262	S	S	.	.	G	3₁₀ helix	trans	90.6	2.3	178.6	0	0	0	0	0	115.6	W223 E224	W223-G226 VanDerWaalsContact CE2-N 3.3Å; W223-G226 PolarHBondContact O-N 2.93Å; E224-G226 PolarHBondContact O-N 2.97Å
227	K	95.2	Very high	96.8	Very high	164 Å²	164	48.2 Å²	48.2	71%	0.713	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.5	-27.3	174.8	-63	176.5	-173.7	168.4	0	113	W223 E224	W223-K227 PolarHBondContact O-N 3.03Å; E224-K227 HydrophobicContact CB-CB 4.31Å; E224-K227 HydrophobicContact CG-CB 4.26Å; E224-K227 HydrophobicContact CG-CD 4.28Å; E224-K227 WeakPolarHBondContact O-CB 3.43Å; E224-K227 WeakPolarHBondContact O-CG 3.41Å; E224-K227 PolarHBondContact O-N 3.39Å
228	G	96.8	Very high	96.8	Very high	12 Å²	12	47.1 Å²	47.1	12%	0.124	26%	0.258	C	S	.	.	S	Bend	trans	-100.1	173.8	177.8	0	0	0	0	0	113.5	I222 W223	I222-G228 WeakPolarHBondContact O-CA 3.34Å; W223-G228 PolarHBondContact O-N 3.02Å
229	P	97.6	Very high	96.8	Very high	27 Å²	27	47.6 Å²	47.6	18%	0.175	26%	0.261	C	S	.	.	P	Polyproline II helix	trans	-68.4	143.6	179.4	28.9	-32.8	0	0	0	111.1	E151 L193 I222	E151-P229 HydrophobicContact CB-CG 4.31Å; L193-P229 HydrophobicContact CD1-CG 3.95Å; L193-P229 HydrophobicContact CD2-CG 3.81Å; I222-P229 HydrophobicContact CG2-CG 4.02Å
230	R	97.4	Very high	96.6	Very high	145 Å²	145	49.7 Å²	49.7	55%	0.547	27%	0.272	S	S	.	.	P	Polyproline II helix	trans	-74	159.2	164.5	-72.1	180	172.3	-112	-1.9	110.2	A177 T232	A177-R230 PolarHBondContact O-NH1 3.47Å; R230-T232 PolarHBondContact O-N 3.37Å
231	L	98.6	Very high	96.5	Very high	13 Å²	13	47.9 Å²	47.9	7%	0.068	27%	0.265	C	S	.	.	P	Polyproline II helix	trans	-56.2	129.2	169.3	-177.2	67	0	0	0	109.6	F153 P157 E179 P181	F153-L231 HydrophobicContact CD1-CB 3.97Å; F153-L231 HydrophobicContact CD1-CD1 3.91Å; F153-L231 HydrophobicContact CD2-CD1 3.89Å; F153-L231 HydrophobicContact CE1-CB 3.99Å; F153-L231 HydrophobicContact CE1-CD1 3.85Å; F153-L231 HydrophobicContact CE1-CG 4.5Å; F153-L231 HydrophobicContact CE2-CD1 3.84Å; F153-L231 HydrophobicContact CG-CD1 3.95Å; F153-L231 HydrophobicContact CZ-CD1 3.85Å; P157-L231 HydrophobicContact CB-CD2 4.01Å; E179-L231 HydrophobicContact CB-CD2 4.24Å; P181-L231 HydrophobicContact CB-CD1 4.11Å; P181-L231 HydrophobicContact CB-CD2 4.25Å
232	T	98.7	Very high	96	Very high	43 Å²	43	51.3 Å²	51.3	26%	0.264	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	113.9	172.4	-58.2	0	0	0	0	108.1	F146 W152 F153 L154 G155 R230 V234	F146-T232 HydrophobicContact CE1-CG2 4.04Å; W152-T232 HydrophobicContact CE3-CG2 4.36Å; W152-T232 HydrophobicContact CZ3-CG2 4.13Å; F153-T232 WeakPolarHBondContact O-CB 3.44Å; F153-T232 PolarHBondContact O-N 3.47Å; L154-T232 HydrophobicContact CD2-CG2 4.04Å; G155-T232 PolarHBondContact N-O 3.44Å; R230-T232 PolarHBondContact O-N 3.37Å; T232-V234 PolarHBondContact O-N 3.46Å
233	G	98.4	Very high	95.6	Very high	41 Å²	41	57.7 Å²	57.7	42%	0.423	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.6	126.2	179.2	0	0	0	0	0	112.6	G155	G155-G233 CarbonylContact O-C 3.44Å; G155-G233 WeakPolarHBondContact O-CA 3.47Å
234	V	98.5	Very high	95.3	Very high	4 Å²	4	58.2 Å²	58.2	2%	0.024	32%	0.318	C	S	.	.			trans	-114.3	107.2	176.8	-178.3	0	0	0	0	109.7	V142 F146 L154 G155 T232 E236 L237	V142-V234 HydrophobicContact CG1-CG1 3.51Å; F146-V234 HydrophobicContact CE2-CG2 4.47Å; F146-V234 HydrophobicContact CZ-CG2 4.15Å; L154-V234 HydrophobicContact CB-CG2 3.86Å; L154-V234 HydrophobicContact CD1-CG2 4.47Å; L154-V234 HydrophobicContact CD2-CG2 4.22Å; L154-V234 HydrophobicContact CG-CG2 4.4Å; G155-V234 PolarHBondContact O-N 3.42Å; T232-V234 PolarHBondContact O-N 3.46Å; V234-E236 HydrophobicContact CG1-CB 4.49Å; V234-E236 PolarHBondContact O-N 3.33Å; V234-L237 HydrophobicContact CB-CB 4.38Å; V234-L237 HydrophobicContact CB-CD1 3.86Å; V234-L237 HydrophobicContact CB-CG 3.91Å; V234-L237 HydrophobicContact CG1-CB 4.49Å; V234-L237 HydrophobicContact CG1-CD1 4.15Å; V234-L237 HydrophobicContact CG1-CG 3.79Å; V234-L237 HydrophobicContact CG2-CD1 4.32Å; V234-L237 PolarHBondContact O-N 2.69Å
235	P	97.3	Very high	95.1	Very high	107 Å²	107	64.6 Å²	64.6	70%	0.695	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.5	-19.1	-172.4	26.7	-33.7	0	0	0	113.9	L237 C238	P235-L237 VanDerWaalsContact C-N 3.33Å; P235-C238 PolarHBondContact O-SG 3.16Å
236	E	98.1	Very high	95.1	Very high	39 Å²	39	66.2 Å²	66.2	18%	0.182	34%	0.34	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.6	-14.7	173.7	-60.3	92.3	154.4	0	0	113.2	V142 K145 V234 C238 C250 A251 T252	V142-E236 HydrophobicContact CG2-CB 3.63Å; V142-E236 HydrophobicContact CG2-CG 3.76Å; K145-E236 IonicContact NZ-OE1 3.02Å; K145-E236 PolarHBondContact NZ-OE1 2.98Å; V234-E236 HydrophobicContact CG1-CB 4.49Å; V234-E236 PolarHBondContact O-N 3.33Å; E236-C238 PolarHBondContact O-N 2.77Å; E236-C250 CarbonylContact O-C 3.55Å; E236-C250 WeakPolarHBondContact O-CA 3.45Å; E236-A251 HydrophobicContact CB-CB 4Å; E236-A251 PolarHBondContact O-N 3.3Å; E236-T252 PolarHBondContact O-N 3.25Å
237	L	98.4	Very high	95.1	Very high	6 Å²	6	64 Å²	64	3%	0.031	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	108	170.7	-61.7	-179.9	0	0	0	108.4	M126 L139 K156 A185 V234 P235 T252	M126-L237 HydrophobicContact CE-CD2 4.12Å; L139-L237 HydrophobicContact CD1-CD2 4.01Å; K156-L237 HydrophobicContact CB-CB 4.44Å; K156-L237 WeakPolarHBondContact CB-O 3.33Å; A185-L237 HydrophobicContact CB-CB 4.26Å; V234-L237 HydrophobicContact CB-CB 4.38Å; V234-L237 HydrophobicContact CB-CD1 3.86Å; V234-L237 HydrophobicContact CB-CG 3.91Å; V234-L237 HydrophobicContact CG1-CB 4.49Å; V234-L237 HydrophobicContact CG1-CD1 4.15Å; V234-L237 HydrophobicContact CG1-CG 3.79Å; V234-L237 HydrophobicContact CG2-CD1 4.32Å; V234-L237 PolarHBondContact O-N 2.69Å; P235-L237 VanDerWaalsContact C-N 3.33Å; L237-T252 VanDerWaalsContact CA-OG1 3.28Å; L237-T252 WeakPolarHBondContact CA-OG1 3.37Å; L237-T252 HydrophobicContact CD2-CG2 3.71Å
238	C	97.6	Very high	95	Very high	13 Å²	13	62.9 Å²	62.9	9%	0.088	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	157	-170.7	-50.3	0	0	0	0	112.2	P235 E236 L240 C250 T252	P235-C238 PolarHBondContact O-SG 3.16Å; E236-C238 PolarHBondContact O-N 2.77Å; C238-L240 HydrophobicContact CB-CG 4.4Å; C238-C250 HydrophobicContact CB-CB 3.66Å; C238-C250 WeakPolarHBondContact CB-SG 3.4Å; C238-C250 WeakPolarHBondContact SG-CB 3.42Å; C238-C250 CovalentContact SG-SG 2.03Å; C238-C250 PolarHBondContact SG-SG 2.59Å; C238-T252 VanDerWaalsContact CB-O 3.26Å; C238-T252 WeakPolarHBondContact CB-O 3.42Å; C238-T252 PolarHBondContact N-O 3.43Å; C238-T252 PolarHBondContact N-OG1 2.74Å; C238-T252 CarbonylContact O-C 3.51Å
239	T	96	Very high	94.9	Very high	10 Å²	10	65.9 Å²	65.9	6%	0.061	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	32.5	166	59.3	0	0	0	0	112	K156 D182 A185 V254 H457	K156-T239 HydrophobicContact CD-CG2 4.28Å; K156-T239 PolarHBondContact NZ-OG1 3.43Å; D182-T239 VanDerWaalsContact OD2-CG2 3.22Å; D182-T239 WeakPolarHBondContact OD2-CG2 3.44Å; A185-T239 HydrophobicContact CB-CG2 3.73Å; T239-V254 HydrophobicContact CG2-CG1 4.11Å; T239-V254 VanDerWaalsContact O-CG2 3.23Å; T239-V254 WeakPolarHBondContact O-CG2 3.42Å; T239-H457 WeakPolarHBondContact CB-CD2 3.39Å; T239-H457 WeakPolarHBondContact O-CB 3.41Å; T239-H457 PolarHBondContact OG1-CD2 2.64Å
240	L	94.7	Very high	94.9	Very high	46 Å²	46	64.7 Å²	64.7	24%	0.241	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	147.8	170.6	-64.8	176	0	0	0	109.7	C238 N244 R246 A247 T253 V254	C238-L240 HydrophobicContact CB-CG 4.4Å; L240-N244 HydrophobicContact CB-CB 4.48Å; L240-R246 HydrophobicContact CD1-CB 3.75Å; L240-A247 HydrophobicContact CB-CB 4.15Å; L240-T253 WeakPolarHBondContact O-CA 3.45Å; L240-T253 WeakPolarHBondContact O-CB 3.43Å; L240-V254 PolarHBondContact O-N 3.05Å
241	A	91.9	Very high	94.9	Very high	19 Å²	19	57.8 Å²	57.8	16%	0.157	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.4	138.5	167.2	0	0	0	0	0	110.8	H243 N244 V254	A241-H243 PolarHBondContact O-N 3.07Å; A241-H243 VanDerWaalsContact O-N 3.17Å; A241-N244 WeakPolarHBondContact O-CB 3.38Å; A241-N244 PolarHBondContact O-N 3.06Å; A241-V254 WeakPolarHBondContact CA-O 3.24Å
242	E	86.9	Confident	94.9	Very high	115 Å²	115	57.1 Å²	57.1	54%	0.537	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.1	-38	-176.9	-175.7	173.4	-146.3	0	0	113.9	N244	E242-N244 PolarHBondContact O-N 2.71Å
243	H	87.8	Confident	94.8	Very high	134 Å²	134	55.1 Å²	55.1	62%	0.62	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.1	-4.6	179.5	66	-99.2	0	0	0	113.8	A241 K245 S256	A241-H243 PolarHBondContact O-N 3.07Å; A241-H243 VanDerWaalsContact O-N 3.17Å; H243-K245 PolarHBondContact O-N 3.16Å; H243-S256 WeakPolarHBondContact CE1-CB 3.29Å; H243-S256 PolarHBondContact CE1-OG 3.08Å; H243-S256 PolarHBondContact ND1-OG 3.22Å; H243-S256 VanDerWaalsContact ND1-OG 3.11Å
244	N	90.6	Very high	94.6	Very high	51 Å²	51	53.5 Å²	53.5	27%	0.273	27%	0.266	S	S	.	.	S	Bend	trans	-69.5	130.6	177.4	-165	-56.5	0	0	0	109.9	L240 A241 E242 R246 A247	L240-N244 HydrophobicContact CB-CB 4.48Å; A241-N244 WeakPolarHBondContact O-CB 3.38Å; A241-N244 PolarHBondContact O-N 3.06Å; E242-N244 PolarHBondContact O-N 2.71Å; N244-R246 PolarHBondContact O-N 2.91Å; N244-R246 VanDerWaalsContact O-N 3.09Å; N244-R246 WeakPolarHBondContact OD1-CB 3.38Å; N244-R246 PolarHBondContact OD1-N 3.49Å; N244-A247 HydrophobicContact CB-CB 4.34Å; N244-A247 WeakPolarHBondContact O-CB 3.33Å; N244-A247 PolarHBondContact O-N 3.39Å
245	K	91.3	Very high	93.8	Very high	179 Å²	179	55.9 Å²	55.9	78%	0.778	28%	0.283	S	S	*	.	G	3₁₀ helix	trans	-56.1	-31.1	178.3	-65.6	-175.1	-179.4	-179	0	113.1	H243 A247 Q248	H243-K245 PolarHBondContact O-N 3.16Å; K245-A247 VanDerWaalsContact C-N 3.25Å; K245-A247 PolarHBondContact O-N 3.38Å; K245-Q248 VanDerWaalsContact O-CG 3.27Å; K245-Q248 WeakPolarHBondContact O-CG 3.38Å; K245-Q248 PolarHBondContact O-N 3.21Å
246	R	91.3	Very high	92.2	Very high	175 Å²	175	53 Å²	53	66%	0.66	27%	0.266	S	S	*	.	G	3₁₀ helix	trans	-72	-17.4	176.9	-63.8	-176.3	-65.2	174.1	2.3	113.2	L240 N244 Q248	L240-R246 HydrophobicContact CD1-CB 3.75Å; N244-R246 PolarHBondContact O-N 2.91Å; N244-R246 VanDerWaalsContact O-N 3.09Å; N244-R246 WeakPolarHBondContact OD1-CB 3.38Å; N244-R246 PolarHBondContact OD1-N 3.49Å; R246-Q248 PolarHBondContact O-N 3.23Å
247	A	93.4	Very high	90.7	Very high	1 Å²	1	57.3 Å²	57.3	1%	0.008	29%	0.285	C	S	.	.	G	3₁₀ helix	trans	-75.3	1.1	177.1	0	0	0	0	0	113.8	K135 L240 N244 K245 S249 C250 T253	K135-A247 PolarHBondContact NZ-O 3.46Å; L240-A247 HydrophobicContact CB-CB 4.15Å; N244-A247 HydrophobicContact CB-CB 4.34Å; N244-A247 WeakPolarHBondContact O-CB 3.33Å; N244-A247 PolarHBondContact O-N 3.39Å; K245-A247 VanDerWaalsContact C-N 3.25Å; K245-A247 PolarHBondContact O-N 3.38Å; A247-S249 VanDerWaalsContact C-N 3.33Å; A247-S249 PolarHBondContact O-N 2.76Å; A247-C250 PolarHBondContact O-N 3.21Å; A247-T253 HydrophobicContact CB-CG2 3.72Å
248	Q	92.8	Very high	89.1	Confident	140 Å²	140	57.9 Å²	57.9	65%	0.654	29%	0.29	S	S	*	.	G	3₁₀ helix	trans	-60.8	-40.3	176.5	-75.1	177.1	16.4	0	0	112.2	K138 K245 R246 C250	K138-Q248 WeakPolarHBondContact CE-O 3.09Å; K138-Q248 PolarHBondContact NZ-O 3.12Å; K245-Q248 VanDerWaalsContact O-CG 3.27Å; K245-Q248 WeakPolarHBondContact O-CG 3.38Å; K245-Q248 PolarHBondContact O-N 3.21Å; R246-Q248 PolarHBondContact O-N 3.23Å; Q248-C250 VanDerWaalsContact C-N 3.34Å
249	S	94.7	Very high	87.8	Confident	76 Å²	76	59.1 Å²	59.1	53%	0.531	30%	0.298	S	S	.	.	S	Bend	trans	-77.9	-19.3	178.1	53	0	0	0	0	113.5	A247	A247-S249 VanDerWaalsContact C-N 3.33Å; A247-S249 PolarHBondContact O-N 2.76Å
250	C	97.8	Very high	86.9	Confident	1 Å²	1	64 Å²	64	1%	0.007	32%	0.323	C	S	.	.			trans	-70.5	137.5	-173.4	-60.7	0	0	0	0	112.9	K135 K138 E236 C238 A247 Q248 T252 T253	K135-C250 WeakPolarHBondContact CD-O 3.43Å; K138-C250 WeakPolarHBondContact CD-O 2.93Å; E236-C250 CarbonylContact O-C 3.55Å; E236-C250 WeakPolarHBondContact O-CA 3.45Å; C238-C250 HydrophobicContact CB-CB 3.66Å; C238-C250 WeakPolarHBondContact CB-SG 3.4Å; C238-C250 WeakPolarHBondContact SG-CB 3.42Å; C238-C250 CovalentContact SG-SG 2.03Å; C238-C250 PolarHBondContact SG-SG 2.59Å; A247-C250 PolarHBondContact O-N 3.21Å; Q248-C250 VanDerWaalsContact C-N 3.34Å; C250-T252 VanDerWaalsContact CB-O 3.29Å; C250-T252 WeakPolarHBondContact CB-O 3.3Å; C250-T253 HydrophobicContact CB-CG2 4.02Å
251	A	98.2	Very high	86.6	Confident	0 Å²	0	64.9 Å²	64.9	0%	0	33%	0.333	C	S	.	.	S	Bend	trans	-83.4	-30.2	166.8	0	0	0	0	0	111.7	K135 K138 L139 V142 E236	K135-A251 PolarHBondContact N-O 3.38Å; K138-A251 HydrophobicContact CB-CB 3.86Å; L139-A251 HydrophobicContact CB-CB 4.15Å; V142-A251 HydrophobicContact CG2-CB 4.4Å; E236-A251 HydrophobicContact CB-CB 4Å; E236-A251 PolarHBondContact O-N 3.3Å
252	T	98.4	Very high	86.5	Confident	0 Å²	0	65.8 Å²	65.8	0%	0	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	150.1	173.3	59.3	0	0	0	0	111.6	T132 R133 V134 A185 E236 L237 C238 C250	T132-T252 HydrophobicContact CG2-CG2 4.16Å; R133-T252 CarbonylContact O-C 3.59Å; R133-T252 WeakPolarHBondContact O-CA 3.37Å; V134-T252 HydrophobicContact CG2-CG2 4.31Å; A185-T252 WeakPolarHBondContact O-CB 3.39Å; A185-T252 WeakPolarHBondContact O-CG2 3.36Å; A185-T252 PolarHBondContact O-OG1 2.97Å; E236-T252 PolarHBondContact O-N 3.25Å; L237-T252 VanDerWaalsContact CA-OG1 3.28Å; L237-T252 WeakPolarHBondContact CA-OG1 3.37Å; L237-T252 HydrophobicContact CD2-CG2 3.71Å; C238-T252 VanDerWaalsContact CB-O 3.26Å; C238-T252 WeakPolarHBondContact CB-O 3.42Å; C238-T252 PolarHBondContact N-O 3.43Å; C238-T252 PolarHBondContact N-OG1 2.74Å; C238-T252 CarbonylContact O-C 3.51Å; C250-T252 VanDerWaalsContact CB-O 3.29Å; C250-T252 WeakPolarHBondContact CB-O 3.3Å
253	T	97	Very high	86.8	Confident	1 Å²	1	68.3 Å²	68.3	1%	0.006	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	168.8	177.7	49.3	0	0	0	0	109.5	R133 L240 A247 C250	R133-T253 WeakPolarHBondContact CB-OG1 3Å; R133-T253 PolarHBondContact N-O 2.94Å; R133-T253 PolarHBondContact O-N 3.05Å; L240-T253 WeakPolarHBondContact O-CA 3.45Å; L240-T253 WeakPolarHBondContact O-CB 3.43Å; A247-T253 HydrophobicContact CB-CG2 3.72Å; C250-T253 HydrophobicContact CB-CG2 4.02Å
254	V	93.4	Very high	87.1	Confident	6 Å²	6	64.6 Å²	64.6	4%	0.036	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	158.8	175.2	-63.6	0	0	0	0	111.2	T239 L240 A241 H457	T239-V254 HydrophobicContact CG2-CG1 4.11Å; T239-V254 VanDerWaalsContact O-CG2 3.23Å; T239-V254 WeakPolarHBondContact O-CG2 3.42Å; L240-V254 PolarHBondContact O-N 3.05Å; A241-V254 WeakPolarHBondContact CA-O 3.24Å; V254-H457 HydrophobicContact CG2-CB 4.39Å
255	S	81.6	Confident	87.4	Confident	55 Å²	55	63.3 Å²	63.3	39%	0.385	34%	0.337	S	S	.	.			trans	-65.8	141.2	169	-171.9	0	0	0	0	110.2	H257	S255-H257 PolarHBondContact O-N 3.02Å
256	S	64.9	Low	87.6	Confident	46 Å²	46	61.7 Å²	61.7	32%	0.322	33%	0.33	S	S	.	.	S	Bend	trans	-84	-9.4	-169.5	3.2	0	0	0	0	115.2	H243	H243-S256 WeakPolarHBondContact CE1-CB 3.29Å; H243-S256 PolarHBondContact CE1-OG 3.08Å; H243-S256 PolarHBondContact ND1-OG 3.22Å; H243-S256 VanDerWaalsContact ND1-OG 3.11Å
257	H	65.1	Low	87.8	Confident	129 Å²	129	56.2 Å²	56.2	60%	0.597	31%	0.313	S	S	*	.	S	Bend	trans	-131.3	144.7	-164.7	-58.8	94.7	0	0	0	110.6	S255	S255-H257 PolarHBondContact O-N 3.02Å
258	S	66.3	Low	88	Confident	19 Å²	19	60.8 Å²	60.8	13%	0.133	33%	0.334	C	S	.	.			trans	-46.4	137.5	163.7	-68	0	0	0	0	109.1	L260 T459	S258-L260 PolarHBondContact O-N 2.94Å; S258-T459 WeakPolarHBondContact OG-CB 3.48Å; S258-T459 WeakPolarHBondContact OG-CG2 3.37Å
259	P	69.6	Low	88.2	Confident	39 Å²	39	56.8 Å²	56.8	25%	0.253	32%	0.317	S	S	.	.			trans	-60.6	113.6	-178.1	27.3	-35	0	0	0	108.4	F66 A362 L363	F66-P259 HydrophobicContact CZ-CB 4.17Å; P259-A362 CarbonylContact O-C 3.6Å; P259-L363 HydrophobicContact CG-CD1 3.45Å; P259-L363 VanDerWaalsContact CG-CD1 3.45Å
260	L	77	Confident	88.4	Confident	113 Å²	113	53.5 Å²	53.5	59%	0.592	29%	0.294	S	S	*	.			trans	-116.2	98.9	172.9	-167.3	84.3	0	0	0	105.9	S258 G262 P264 A362	S258-L260 PolarHBondContact O-N 2.94Å; L260-G262 VanDerWaalsContact C-N 3.33Å; L260-G262 WeakPolarHBondContact CG-O 3.23Å; L260-P264 HydrophobicContact CD1-CG 4.05Å; L260-A362 HydrophobicContact CD1-CB 3.79Å
261	C	87.8	Confident	88.4	Confident	64 Å²	64	53.6 Å²	53.6	43%	0.432	29%	0.294	S	S	.	.			trans	-95.1	7	-177.3	-58.9	0	0	0	0	113.1	F66 S365 C366	F66-C261 WeakPolarHBondContact CE2-SG 3.27Å; C261-S365 WeakPolarHBondContact CB-O 3.36Å; C261-S365 PolarHBondContact N-OG 3.04Å; C261-C366 VanDerWaalsContact CB-CA 3.49Å; C261-C366 HydrophobicContact CB-CB 3.76Å; C261-C366 WeakPolarHBondContact CB-SG 3.04Å; C261-C366 VanDerWaalsContact SG-CA 3.5Å; C261-C366 WeakPolarHBondContact SG-CB 3.18Å; C261-C366 CovalentContact SG-SG 2.04Å; C261-C366 PolarHBondContact SG-SG 3.21Å
262	G	89.8	Confident	88.5	Confident	37 Å²	37	53.7 Å²	53.7	38%	0.381	29%	0.294	S	S	.	.	S	Bend	trans	160.5	-165.5	-176.1	0	0	0	0	0	110.2	L260 S365	L260-G262 VanDerWaalsContact C-N 3.33Å; L260-G262 WeakPolarHBondContact CG-O 3.23Å; G262-S365 PolarHBondContact N-OG 2.83Å; G262-S365 PolarHBondContact O-OG 2.84Å
263	E	93.2	Very high	88.5	Confident	169 Å²	169	53.7 Å²	53.7	79%	0.79	29%	0.294	S	S	*	.	S	Bend	trans	-59	133.1	174.3	-70.5	-59.1	129.6	0	0	110.9	S365	E263-S365 WeakPolarHBondContact O-CB 3.22Å
264	P	95.1	Very high	88.5	Confident	55 Å²	55	53.6 Å²	53.6	36%	0.357	29%	0.294	S	S	.	.	P	Polyproline II helix	trans	-53	141.8	175.6	-26.1	34.2	0	0	0	112.2	L260 K266 Q361	L260-P264 HydrophobicContact CD1-CG 4.05Å; P264-K266 PolarHBondContact O-N 2.91Å; P264-Q361 HydrophobicContact CB-CB 3.99Å
265	V	96.1	Very high	88.8	Confident	24 Å²	24	53.7 Å²	53.7	15%	0.145	29%	0.294	C	S	.	.	P	Polyproline II helix	trans	-58.8	135.7	175	170	0	0	0	0	109.8	N269 I270 Q361 L364	V265-N269 HydrophobicContact CG1-CB 3.95Å; V265-I270 HydrophobicContact CG1-CD1 4.25Å; V265-I270 HydrophobicContact CG1-CG1 4.05Å; V265-Q361 PolarHBondContact N-O 3.46Å; V265-Q361 WeakPolarHBondContact O-CB 3.14Å; V265-Q361 WeakPolarHBondContact O-CG 3.42Å; V265-Q361 PolarHBondContact O-OE1 3.28Å; V265-L364 HydrophobicContact CB-CB 4.08Å; V265-L364 HydrophobicContact CG2-CB 3.63Å
266	K	96.8	Very high	89.5	Confident	145 Å²	145	51.3 Å²	51.3	63%	0.63	28%	0.277	S	S	*	.	P	Polyproline II helix	trans	-63.2	140.9	179.8	-65.3	-175.1	-179.4	178.8	0	111.6	P264 E268 N269	P264-K266 PolarHBondContact O-N 2.91Å; K266-E268 WeakPolarHBondContact CB-OE2 3.33Å; K266-E268 PolarHBondContact O-N 2.95Å; K266-E268 VanDerWaalsContact O-N 3.13Å; K266-N269 PolarHBondContact O-N 3.41Å
267	I	95.6	Very high	91.1	Very high	61 Å²	61	49.3 Å²	49.3	31%	0.313	26%	0.263	S	S	.	.	G	3₁₀ helix	trans	-57.9	-28.2	178.5	57.8	178.4	0	0	0	113	N269 I270 Q361	I267-N269 PolarHBondContact O-N 2.93Å; I267-I270 PolarHBondContact O-N 3.35Å; I267-Q361 VanDerWaalsContact CG2-CD 3.42Å; I267-Q361 VanDerWaalsContact CG2-NE2 3.31Å
268	E	96.7	Very high	92.6	Very high	96 Å²	96	48.5 Å²	48.5	45%	0.449	26%	0.258	S	S	.	.	G	3₁₀ helix	trans	-73.2	-16.4	178	-57.7	76.5	-162.3	0	0	112.8	K266 L298 T343	K266-E268 WeakPolarHBondContact CB-OE2 3.33Å; K266-E268 PolarHBondContact O-N 2.95Å; K266-E268 VanDerWaalsContact O-N 3.13Å; E268-L298 VanDerWaalsContact O-CD1 3.28Å; E268-L298 WeakPolarHBondContact O-CD1 3.4Å; E268-T343 WeakPolarHBondContact O-CG2 3.48Å
269	N	97.7	Very high	94	Very high	56 Å²	56	55.1 Å²	55.1	30%	0.299	28%	0.284	S	S	.	.	G	3₁₀ helix	trans	-91.8	2	178.3	-71.1	15.8	0	0	0	112.7	V265 K266 I267 T343 D344 W345	V265-N269 HydrophobicContact CG1-CB 3.95Å; K266-N269 PolarHBondContact O-N 3.41Å; I267-N269 PolarHBondContact O-N 2.93Å; N269-T343 WeakPolarHBondContact O-CB 3.47Å; N269-D344 HydrophobicContact CB-CB 4.44Å; N269-D344 PolarHBondContact ND2-OD2 3.32Å; N269-D344 PolarHBondContact O-N 3.5Å; N269-W345 PolarHBondContact O-N 3.29Å
270	I	98.4	Very high	95.2	Very high	7 Å²	7	55.3 Å²	55.3	4%	0.036	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	113	178.6	-52.3	175.6	0	0	0	108.7	V265 I267 V272 W345 L347 Q361 L364	V265-I270 HydrophobicContact CG1-CD1 4.25Å; V265-I270 HydrophobicContact CG1-CG1 4.05Å; I267-I270 PolarHBondContact O-N 3.35Å; I270-V272 HydrophobicContact CG2-CG2 4.14Å; I270-W345 HydrophobicContact CG1-CB 4.25Å; I270-W345 HydrophobicContact CG2-CB 4.45Å; I270-L347 HydrophobicContact CG2-CB 4.28Å; I270-Q361 HydrophobicContact CD1-CG 3.71Å; I270-L364 HydrophobicContact CD1-CD1 3.82Å; I270-L364 HydrophobicContact CG1-CD1 4.29Å
271	F	98.6	Very high	96.2	Very high	3 Å²	3	50.4 Å²	50.4	1%	0.013	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	124.2	170.3	-177.7	-93.3	0	0	0	109.5	A273 L298 E300 Y302 F335 V340 T343 W345 L346 L347	F271-A273 HydrophobicContact CE1-CB 4.25Å; F271-L298 HydrophobicContact CD2-CB 4.02Å; F271-E300 HydrophobicContact CE2-CG 4.07Å; F271-E300 HydrophobicContact CZ-CB 4.08Å; F271-E300 HydrophobicContact CZ-CG 3.85Å; F271-E300 WeakPolarHBondContact CZ-OE2 3.48Å; F271-Y302 HydrophobicContact CE1-CE2 4.46Å; F271-Y302 WeakPolarHBondContact CZ-OH 3.39Å; F271-F335 HydrophobicContact CB-CD2 4.01Å; F271-F335 HydrophobicContact CB-CE2 3.84Å; F271-F335 AromaticContact CD1-CD2 3.87Å; F271-F335 HydrophobicContact CD1-CD2 3.87Å; F271-F335 HydrophobicContact CG-CD2 4.1Å; F271-F335 HydrophobicContact CG-CE2 4.43Å; F271-V340 HydrophobicContact CD2-CB 4.17Å; F271-V340 HydrophobicContact CD2-CG1 4.48Å; F271-V340 HydrophobicContact CE2-CB 3.73Å; F271-V340 HydrophobicContact CE2-CG1 3.58Å; F271-V340 HydrophobicContact CE2-CG2 4.4Å; F271-V340 HydrophobicContact CZ-CB 4.21Å; F271-V340 HydrophobicContact CZ-CG1 3.66Å; F271-T343 HydrophobicContact CB-CG2 4.18Å; F271-T343 WeakPolarHBondContact CB-OG1 3.38Å; F271-W345 PolarHBondContact N-O 3.49Å; F271-L346 HydrophobicContact CD1-CD1 3.63Å; F271-L346 HydrophobicContact CE1-CD1 4.28Å; F271-L346 WeakPolarHBondContact O-CA 3.45Å; F271-L347 PolarHBondContact O-N 3.02Å
272	V	98.7	Very high	96.6	Very high	2 Å²	2	52.4 Å²	52.4	1%	0.012	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	124.2	-177.3	-172	0	0	0	0	110.4	I270 W292 A296 L298 L299 E300 L347	I270-V272 HydrophobicContact CG2-CG2 4.14Å; V272-W292 HydrophobicContact CG1-CH2 4.07Å; V272-W292 HydrophobicContact CG1-CZ3 3.85Å; V272-A296 HydrophobicContact CB-CB 4.47Å; V272-A296 HydrophobicContact CG2-CB 4.1Å; V272-L298 PolarHBondContact N-O 3.09Å; V272-L299 HydrophobicContact CB-CD1 3.82Å; V272-L299 HydrophobicContact CG1-CD1 3.68Å; V272-L299 WeakPolarHBondContact O-CA 3.47Å; V272-E300 PolarHBondContact O-N 2.77Å; V272-L347 HydrophobicContact CG1-CD2 3.94Å; V272-L347 HydrophobicContact CG1-CG 4.36Å; V272-L347 HydrophobicContact CG2-CB 4.42Å; V272-L347 HydrophobicContact CG2-CD2 4.18Å
273	A	98.7	Very high	96.8	Very high	0 Å²	0	55.7 Å²	55.7	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	115.4	178.7	0	0	0	0	0	110	F271 Y302 I331 L346 L347 I348 V349	F271-A273 HydrophobicContact CE1-CB 4.25Å; A273-Y302 HydrophobicContact CB-CD2 3.9Å; A273-Y302 HydrophobicContact CB-CE2 3.51Å; A273-I331 HydrophobicContact CB-CG2 3.54Å; A273-L346 HydrophobicContact CB-CD1 4.11Å; A273-L347 PolarHBondContact N-O 3.28Å; A273-I348 HydrophobicContact CB-CG1 4.35Å; A273-I348 WeakPolarHBondContact O-CA 3.48Å; A273-V349 PolarHBondContact O-N 3.3Å
274	V	98.4	Very high	97	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	117.8	175.4	179	0	0	0	0	109.3	V288 W292 L299 E300 Y301 Y302 V349 D351	V274-V288 HydrophobicContact CG2-CG1 4.46Å; V274-W292 HydrophobicContact CG2-CH2 3.61Å; V274-W292 HydrophobicContact CG2-CZ2 4.29Å; V274-L299 HydrophobicContact CG2-CD1 3.71Å; V274-E300 PolarHBondContact N-O 3.14Å; V274-Y301 HydrophobicContact CB-CD1 3.76Å; V274-Y301 HydrophobicContact CB-CE1 4.23Å; V274-Y301 HydrophobicContact CG1-CD1 3.87Å; V274-Y301 HydrophobicContact CG1-CE1 4.28Å; V274-Y301 HydrophobicContact CG2-CD1 4.15Å; V274-Y301 HydrophobicContact CG2-CE1 4.13Å; V274-Y302 PolarHBondContact O-N 3.27Å; V274-V349 WeakPolarHBondContact CA-O 3.36Å; V274-V349 HydrophobicContact CG2-CG2 3.9Å; V274-D351 HydrophobicContact CG1-CB 4.08Å
275	K	98.1	Very high	97.1	Very high	7 Å²	7	47.3 Å²	47.3	3%	0.03	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77	124.7	168.7	-70.6	-175.9	-72.9	153.7	0	109.4	K327 T328 I331 I348 V349 D350 D351 D421	K275-K327 HydrophobicContact CB-CD 4.5Å; K275-K327 HydrophobicContact CG-CD 4.38Å; K275-T328 WeakPolarHBondContact CD-OG1 3.5Å; K275-I331 HydrophobicContact CD-CD1 4.44Å; K275-I331 HydrophobicContact CG-CD1 3.68Å; K275-I348 HydrophobicContact CD-CG2 4.13Å; K275-I348 HydrophobicContact CG-CG2 4.14Å; K275-V349 PolarHBondContact N-O 3.41Å; K275-D350 WeakPolarHBondContact CE-OD1 3.5Å; K275-D350 IonicContact NZ-OD1 2.88Å; K275-D350 PolarHBondContact NZ-OD1 2.93Å; K275-D351 WeakPolarHBondContact O-CB 3.26Å; K275-D351 PolarHBondContact O-N 3.3Å; K275-D421 IonicContact NZ-OD2 2.74Å; K275-D421 PolarHBondContact NZ-OD2 3.42Å
276	T	97.6	Very high	97.2	Very high	5 Å²	5	47.9 Å²	47.9	3%	0.031	24%	0.237	C	C	.	.			trans	-143.1	-176.3	173.2	-167.4	0	0	0	0	110.8	V285 Y302 T312 K327 D351	T276-V285 HydrophobicContact CG2-CG2 4.09Å; T276-V285 WeakPolarHBondContact OG1-CG2 3.4Å; T276-Y302 CarbonylContact C-O 3.54Å; T276-Y302 PolarHBondContact N-O 3.41Å; T276-Y302 VanDerWaalsContact O-O 3.05Å; T276-T312 HydrophobicContact CG2-CG2 4.4Å; T276-K327 PolarHBondContact O-NZ 2.77Å; T276-D351 WeakPolarHBondContact CA-OD2 3.38Å; T276-D351 VanDerWaalsContact CB-OD2 3.26Å; T276-D351 WeakPolarHBondContact CB-OD2 3.29Å; T276-D351 PolarHBondContact OG1-OD2 3.11Å
277	C	97	Very high	97.2	Very high	5 Å²	5	41.7 Å²	41.7	3%	0.034	21%	0.211	C	C	.	.			trans	-147.1	164.4	169	68	0	0	0	0	110.4	K279 F280 H281 D304 N319	C277-K279 PolarHBondContact O-N 3.4Å; C277-F280 PolarHBondContact O-N 2.66Å; C277-F280 WeakPolarHBondContact SG-CD2 3.29Å; C277-H281 PolarHBondContact O-CD2 2.74Å; C277-D304 WeakPolarHBondContact CA-OD1 3.3Å; C277-D304 VanDerWaalsContact CB-OD1 3.22Å; C277-D304 WeakPolarHBondContact CB-OD1 3.25Å; C277-N319 HydrophobicContact CB-CB 4.07Å; C277-N319 VanDerWaalsContact CB-CG 3.47Å; C277-N319 WeakPolarHBondContact CB-OD1 3.3Å
278	K	96.6	Very high	97.3	Very high	111 Å²	111	38.8 Å²	38.8	48%	0.483	20%	0.197	S	C	.	.	G	3₁₀ helix	trans	-47.4	-37.3	-177.8	-171.9	176.6	-177.6	169.1	0	113.3	F280 H281 S303 D304 Y305	K278-F280 PolarHBondContact O-N 2.79Å; K278-H281 PolarHBondContact O-N 2.98Å; K278-S303 PolarHBondContact N-OG 2.82Å; K278-D304 PolarHBondContact N-OD1 2.72Å; K278-Y305 HydrophobicContact CB-CG 4.47Å; K278-Y305 HydrophobicContact CD-CD1 4.24Å; K278-Y305 HydrophobicContact CD-CD2 3.88Å; K278-Y305 HydrophobicContact CD-CE2 4.47Å; K278-Y305 HydrophobicContact CD-CG 3.75Å; K278-Y305 HydrophobicContact CG-CD1 4.34Å; K278-Y305 HydrophobicContact CG-CG 4.11Å
279	K	96	Very high	97.3	Very high	159 Å²	159	38.3 Å²	38.3	69%	0.691	19%	0.193	S	C	*	.	G	3₁₀ helix	trans	-57.7	-33.9	178.8	-178.6	-177.9	176	-179.2	0	113.2	C277	C277-K279 PolarHBondContact O-N 3.4Å
280	F	96.3	Very high	97.2	Very high	43 Å²	43	42 Å²	42	19%	0.189	21%	0.206	C	C	.	.	G	3₁₀ helix	trans	-103.1	1.1	-171	-63.5	-48.4	0	0	0	114.2	C277 K278 S282 D283 R284 V285 D351	C277-F280 PolarHBondContact O-N 2.66Å; C277-F280 WeakPolarHBondContact SG-CD2 3.29Å; K278-F280 PolarHBondContact O-N 2.79Å; F280-S282 PolarHBondContact O-N 3.02Å; F280-D283 PolarHBondContact O-N 2.85Å; F280-R284 HydrophobicContact CB-CB 4.08Å; F280-R284 HydrophobicContact CB-CG 4Å; F280-R284 HydrophobicContact CD1-CG 3.89Å; F280-R284 VanDerWaalsContact CE1-NE 3.35Å; F280-R284 HydrophobicContact CG-CG 4.05Å; F280-R284 PolarHBondContact O-N 3.34Å; F280-V285 PolarHBondContact O-N 3.41Å; F280-D351 WeakPolarHBondContact CB-OD2 3.32Å; F280-D351 WeakPolarHBondContact CD2-OD2 3.37Å
281	H	97.3	Very high	97.1	Very high	9 Å²	9	42.1 Å²	42.1	4%	0.042	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.2	-38	176	-75.7	-158.4	0	0	0	112.7	C277 K278 P286 S303 D307 I310	C277-H281 PolarHBondContact O-CD2 2.74Å; K278-H281 PolarHBondContact O-N 2.98Å; H281-P286 WeakPolarHBondContact O-CD 3.36Å; H281-S303 WeakPolarHBondContact NE2-CB 3.28Å; H281-S303 PolarHBondContact NE2-OG 3.46Å; H281-D307 IonicContact CE1-OD2 2.68Å; H281-D307 IonicContact ND1-OD2 3.98Å; H281-D307 PolarHBondContact ND1-OD2 2.96Å; H281-I310 HydrophobicContact CB-CD1 3.84Å; H281-I310 WeakPolarHBondContact O-CD1 3.12Å
282	S	96	Very high	97.1	Very high	106 Å²	106	42 Å²	42	74%	0.741	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91	-7.3	-176.6	57.7	0	0	0	0	114.8	F280	F280-S282 PolarHBondContact O-N 3.02Å
283	D	94.8	Very high	97	Very high	106 Å²	106	42.3 Å²	42.3	57%	0.567	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	-123.3	-64.6	-170.8	-175.9	22.7	0	0	0	111.8	F280 P286	F280-D283 PolarHBondContact O-N 2.85Å; D283-P286 WeakPolarHBondContact O-CD 3.28Å
284	R	97.2	Very high	96.8	Very high	48 Å²	48	49.8 Å²	49.8	18%	0.181	24%	0.243	C	C	.	.	H	α-helix	trans	-82.4	-44.2	-173.6	-55.3	-177.8	173.4	-160.4	-16.2	113.5	F280 P286 V287 V288 D351 D352	F280-R284 HydrophobicContact CB-CB 4.08Å; F280-R284 HydrophobicContact CB-CG 4Å; F280-R284 HydrophobicContact CD1-CG 3.89Å; F280-R284 VanDerWaalsContact CE1-NE 3.35Å; F280-R284 HydrophobicContact CG-CG 4.05Å; F280-R284 PolarHBondContact O-N 3.34Å; R284-P286 VanDerWaalsContact C-N 3.35Å; R284-V287 WeakPolarHBondContact O-CA 3.44Å; R284-V287 VanDerWaalsContact O-CB 3.31Å; R284-V287 WeakPolarHBondContact O-CB 3.35Å; R284-V287 PolarHBondContact O-N 2.77Å; R284-V288 PolarHBondContact O-N 2.78Å; R284-D351 HydrophobicContact CB-CB 4.04Å; R284-D351 WeakPolarHBondContact CB-O 3.37Å; R284-D351 VanDerWaalsContact CD-CG 3.46Å; R284-D351 WeakPolarHBondContact CD-OD1 3.48Å; R284-D351 IonicContact CZ-OD1 2.7Å; R284-D351 IonicContact NE-OD1 3.19Å; R284-D351 IonicContact NH1-OD1 3.16Å; R284-D351 PolarHBondContact NH1-OD1 3.32Å; R284-D352 IonicContact CZ-OD2 3.76Å; R284-D352 IonicContact NE-OD2 3.69Å; R284-D352 IonicContact NH1-OD1 3.87Å; R284-D352 PolarHBondContact NH1-OD1 2.89Å; R284-D352 IonicContact NH1-OD2 3.6Å; R284-D352 PolarHBondContact NH1-OD2 3.41Å; R284-D352 IonicContact NH2-OD2 3.13Å; R284-D352 PolarHBondContact NH2-OD2 2.97Å
285	V	97.4	Very high	96.6	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-59.8	-38.4	180	-174.4	0	0	0	0	113	T276 F280 V287 V288 K289 Y301 I310	T276-V285 HydrophobicContact CG2-CG2 4.09Å; T276-V285 WeakPolarHBondContact OG1-CG2 3.4Å; F280-V285 PolarHBondContact O-N 3.41Å; V285-V287 PolarHBondContact O-N 3.35Å; V285-V288 PolarHBondContact O-N 3.15Å; V285-K289 HydrophobicContact CG1-CD 4.34Å; V285-K289 HydrophobicContact CG1-CG 4.46Å; V285-K289 WeakPolarHBondContact O-CG 3.5Å; V285-K289 PolarHBondContact O-N 3.48Å; V285-Y301 HydrophobicContact CG1-CD1 3.69Å; V285-Y301 HydrophobicContact CG1-CE1 3.54Å; V285-Y301 HydrophobicContact CG1-CG 4.45Å; V285-I310 HydrophobicContact CB-CG2 4.2Å; V285-I310 HydrophobicContact CG1-CG2 3.31Å
286	P	96.8	Very high	96.5	Very high	36 Å²	36	54.1 Å²	54.1	23%	0.234	27%	0.267	C	S	.	.	H	α-helix	trans	-59	-31.9	172.1	-28.3	37.3	0	0	0	113.8	H281 D283 R284 K290	H281-P286 WeakPolarHBondContact O-CD 3.36Å; D283-P286 WeakPolarHBondContact O-CD 3.28Å; R284-P286 VanDerWaalsContact C-N 3.35Å; P286-K290 WeakPolarHBondContact O-CB 3.47Å; P286-K290 WeakPolarHBondContact O-CG 3.46Å; P286-K290 PolarHBondContact O-N 2.93Å
287	V	97.7	Very high	96.4	Very high	16 Å²	16	56.7 Å²	56.7	10%	0.097	29%	0.285	C	S	.	.	H	α-helix	trans	-65.9	-49.8	174.8	178.3	0	0	0	0	110	R284 V285 K289 K290 T291 L354 P471 I472	R284-V287 WeakPolarHBondContact O-CA 3.44Å; R284-V287 VanDerWaalsContact O-CB 3.31Å; R284-V287 WeakPolarHBondContact O-CB 3.35Å; R284-V287 PolarHBondContact O-N 2.77Å; V285-V287 PolarHBondContact O-N 3.35Å; V287-K289 VanDerWaalsContact C-N 3.29Å; V287-K289 PolarHBondContact O-N 3.47Å; V287-K290 PolarHBondContact O-N 2.93Å; V287-T291 HydrophobicContact CG1-CG2 4.3Å; V287-T291 PolarHBondContact O-N 2.95Å; V287-T291 PolarHBondContact O-OG1 3.06Å; V287-L354 HydrophobicContact CG1-CD2 4.27Å; V287-P471 HydrophobicContact CG1-CB 3.88Å; V287-P471 HydrophobicContact CG1-CG 3.81Å; V287-P471 HydrophobicContact CG2-CG 3.99Å; V287-I472 HydrophobicContact CG1-CG1 4.33Å
288	V	97.6	Very high	96.4	Very high	0 Å²	0	58.2 Å²	58.2	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-53.1	-47.6	175.2	176	0	0	0	0	110.9	V274 R284 V285 K290 T291 W292 G293 Y301	V274-V288 HydrophobicContact CG2-CG1 4.46Å; R284-V288 PolarHBondContact O-N 2.78Å; V285-V288 PolarHBondContact O-N 3.15Å; V288-K290 VanDerWaalsContact C-N 3.29Å; V288-K290 PolarHBondContact O-N 3.4Å; V288-T291 PolarHBondContact O-N 3.07Å; V288-W292 HydrophobicContact CB-CZ2 4.34Å; V288-W292 HydrophobicContact CG1-CD2 4.27Å; V288-W292 HydrophobicContact CG1-CE3 4.45Å; V288-W292 HydrophobicContact CG1-CH2 3.7Å; V288-W292 HydrophobicContact CG1-CZ2 3.48Å; V288-W292 VanDerWaalsContact CG1-CZ2 3.48Å; V288-W292 HydrophobicContact CG1-CZ3 4.17Å; V288-W292 HydrophobicContact CG2-CZ2 4.03Å; V288-G293 WeakPolarHBondContact O-CA 3.4Å; V288-G293 PolarHBondContact O-N 3.44Å; V288-Y301 HydrophobicContact CB-CE1 4.4Å; V288-Y301 HydrophobicContact CG1-CE1 3.93Å
289	K	96.2	Very high	96.5	Very high	85 Å²	85	55 Å²	55	37%	0.37	28%	0.28	S	S	.	.	H	α-helix	trans	-64.2	-29.7	177.8	-69.3	178.9	74.9	171.5	0	113.4	V285 V287 K294 Y301	V285-K289 HydrophobicContact CG1-CD 4.34Å; V285-K289 HydrophobicContact CG1-CG 4.46Å; V285-K289 WeakPolarHBondContact O-CG 3.5Å; V285-K289 PolarHBondContact O-N 3.48Å; V287-K289 VanDerWaalsContact C-N 3.29Å; V287-K289 PolarHBondContact O-N 3.47Å; K289-K294 WeakPolarHBondContact O-CE 3.28Å; K289-K294 WeakPolarHBondContact O-CG 3.39Å; K289-Y301 WeakPolarHBondContact CG-OH 3.21Å
290	K	96.2	Very high	96.6	Very high	134 Å²	134	49 Å²	49	58%	0.583	26%	0.255	S	S	*	.	H	α-helix	trans	-82.4	-27.6	179.4	-77.4	171.8	-176.9	176.8	0	112.7	P286 V287 V288 I472	P286-K290 WeakPolarHBondContact O-CB 3.47Å; P286-K290 WeakPolarHBondContact O-CG 3.46Å; P286-K290 PolarHBondContact O-N 2.93Å; V287-K290 PolarHBondContact O-N 2.93Å; V288-K290 VanDerWaalsContact C-N 3.29Å; V288-K290 PolarHBondContact O-N 3.4Å; K290-I472 HydrophobicContact CB-CD1 4.4Å; K290-I472 HydrophobicContact CD-CD1 3.9Å
291	T	96.8	Very high	96.7	Very high	10 Å²	10	47.8 Å²	47.8	6%	0.061	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.4	-111.6	-175.7	59.7	0	0	0	0	111.6	V287 V288 I472 F475	V287-T291 HydrophobicContact CG1-CG2 4.3Å; V287-T291 PolarHBondContact O-N 2.95Å; V287-T291 PolarHBondContact O-OG1 3.06Å; V288-T291 PolarHBondContact O-N 3.07Å; T291-I472 HydrophobicContact CG2-CG1 4.14Å; T291-F475 HydrophobicContact CG2-CB 3.87Å; T291-F475 HydrophobicContact CG2-CD1 3.74Å; T291-F475 HydrophobicContact CG2-CE1 4.46Å; T291-F475 HydrophobicContact CG2-CG 3.79Å
292	W	96.8	Very high	96.7	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	25%	0.247	C	C	.	.	G	3₁₀ helix	trans	-78.9	-21.2	-168.4	60.4	-100.8	0	0	0	113.8	V272 V274 V288 K294 Q295 L299 V349 T353 I355 L357 F475	V272-W292 HydrophobicContact CG1-CH2 4.07Å; V272-W292 HydrophobicContact CG1-CZ3 3.85Å; V274-W292 HydrophobicContact CG2-CH2 3.61Å; V274-W292 HydrophobicContact CG2-CZ2 4.29Å; V288-W292 HydrophobicContact CB-CZ2 4.34Å; V288-W292 HydrophobicContact CG1-CD2 4.27Å; V288-W292 HydrophobicContact CG1-CE3 4.45Å; V288-W292 HydrophobicContact CG1-CH2 3.7Å; V288-W292 HydrophobicContact CG1-CZ2 3.48Å; V288-W292 VanDerWaalsContact CG1-CZ2 3.48Å; V288-W292 HydrophobicContact CG1-CZ3 4.17Å; V288-W292 HydrophobicContact CG2-CZ2 4.03Å; W292-K294 PolarHBondContact O-N 2.97Å; W292-Q295 WeakPolarHBondContact O-CB 3.46Å; W292-Q295 PolarHBondContact O-N 2.92Å; W292-L299 HydrophobicContact CZ3-CD1 4.35Å; W292-V349 HydrophobicContact CH2-CG2 3.65Å; W292-V349 HydrophobicContact CZ2-CG2 3.84Å; W292-T353 PolarHBondContact NE1-O 3.08Å; W292-I355 HydrophobicContact CB-CG2 4.47Å; W292-I355 WeakPolarHBondContact CB-O 3.25Å; W292-I355 HydrophobicContact CD2-CG2 3.55Å; W292-I355 HydrophobicContact CE3-CG2 3.9Å; W292-I355 HydrophobicContact CG-CG2 3.82Å; W292-I355 HydrophobicContact CH2-CG2 4.49Å; W292-I355 HydrophobicContact CZ2-CG2 4.18Å; W292-I355 HydrophobicContact CZ3-CG2 4.38Å; W292-L357 HydrophobicContact CE3-CD1 4.15Å; W292-L357 HydrophobicContact CE3-CG 4.39Å; W292-F475 HydrophobicContact CB-CE2 3.68Å; W292-F475 HydrophobicContact CB-CZ 3.97Å; W292-F475 HydrophobicContact CG-CE2 4.47Å
293	G	96.6	Very high	96.8	Very high	9 Å²	9	42.5 Å²	42.5	9%	0.093	21%	0.213	C	C	.	.	G	3₁₀ helix	trans	-59.3	-24.9	-176.6	0	0	0	0	0	113.6	V288 Q295 A296	V288-G293 WeakPolarHBondContact O-CA 3.4Å; V288-G293 PolarHBondContact O-N 3.44Å; G293-Q295 PolarHBondContact O-N 3.12Å; G293-A296 PolarHBondContact O-N 3.23Å
294	K	94.3	Very high	96.9	Very high	156 Å²	156	39.7 Å²	39.7	68%	0.678	20%	0.198	S	C	*	.	G	3₁₀ helix	trans	-70.6	-18.3	175.4	-58.9	179	-176.1	171.6	0	113.9	K289 W292	K289-K294 WeakPolarHBondContact O-CE 3.28Å; K289-K294 WeakPolarHBondContact O-CG 3.39Å; W292-K294 PolarHBondContact O-N 2.97Å
295	Q	95.1	Very high	96.8	Very high	78 Å²	78	42.5 Å²	42.5	36%	0.364	21%	0.21	S	C	.	.	G	3₁₀ helix	trans	-93.5	-6.2	-178.3	-58.9	-179.3	-60.1	0	0	112.2	W292 G293 L357	W292-Q295 WeakPolarHBondContact O-CB 3.46Å; W292-Q295 PolarHBondContact O-N 2.92Å; G293-Q295 PolarHBondContact O-N 3.12Å; Q295-L357 HydrophobicContact CB-CB 4.42Å; Q295-L357 HydrophobicContact CB-CD1 4.07Å
296	A	96.4	Very high	96.8	Very high	20 Å²	20	45.2 Å²	45.2	17%	0.165	23%	0.232	C	C	.	.			trans	-85.6	128.1	175.6	0	0	0	0	0	110.2	V272 G293 L299 L357	V272-A296 HydrophobicContact CB-CB 4.47Å; V272-A296 HydrophobicContact CG2-CB 4.1Å; G293-A296 PolarHBondContact O-N 3.23Å; A296-L299 HydrophobicContact CB-CB 3.85Å; A296-L299 HydrophobicContact CB-CD2 4.23Å; A296-L299 HydrophobicContact CB-CG 4.44Å; A296-L357 HydrophobicContact CB-CD1 3.7Å
297	S	95.9	Very high	96.7	Very high	60 Å²	60	45 Å²	45	42%	0.42	23%	0.229	S	C	.	.	S	Bend	trans	-78.9	-41	173.9	-173.9	0	0	0	0	111.5
298	L	97.3	Very high	96.3	Very high	36 Å²	36	50.2 Å²	50.2	19%	0.188	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	101	-179.9	-60.4	175.7	0	0	0	109.1	E268 F271 V272 P341 T343	E268-L298 VanDerWaalsContact O-CD1 3.28Å; E268-L298 WeakPolarHBondContact O-CD1 3.4Å; F271-L298 HydrophobicContact CD2-CB 4.02Å; V272-L298 PolarHBondContact N-O 3.09Å; L298-P341 HydrophobicContact CD1-CB 4.11Å; L298-P341 HydrophobicContact CD1-CG 4.18Å; L298-P341 HydrophobicContact CD2-CG 3.89Å; L298-T343 HydrophobicContact CD1-CG2 3.33Å
299	L	97.4	Very high	96	Very high	43 Å²	43	54.2 Å²	54.2	23%	0.225	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	128.2	-172.9	176.4	63.1	0	0	0	111.1	V272 V274 W292 A296 Y301	V272-L299 HydrophobicContact CB-CD1 3.82Å; V272-L299 HydrophobicContact CG1-CD1 3.68Å; V272-L299 WeakPolarHBondContact O-CA 3.47Å; V274-L299 HydrophobicContact CG2-CD1 3.71Å; W292-L299 HydrophobicContact CZ3-CD1 4.35Å; A296-L299 HydrophobicContact CB-CB 3.85Å; A296-L299 HydrophobicContact CB-CD2 4.23Å; A296-L299 HydrophobicContact CB-CG 4.44Å; L299-Y301 HydrophobicContact CD2-CE2 3.91Å; L299-Y301 WeakPolarHBondContact CD2-OH 3.5Å; L299-Y301 HydrophobicContact CG-CE2 4.07Å
300	E	97.9	Very high	95.6	Very high	34 Å²	34	50.9 Å²	50.9	16%	0.159	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	139.7	172.6	-64.8	-171.9	161.3	0	0	111.5	F271 V272 V274 Y302 I313 R334	F271-E300 HydrophobicContact CE2-CG 4.07Å; F271-E300 HydrophobicContact CZ-CB 4.08Å; F271-E300 HydrophobicContact CZ-CG 3.85Å; F271-E300 WeakPolarHBondContact CZ-OE2 3.48Å; V272-E300 PolarHBondContact O-N 2.77Å; V274-E300 PolarHBondContact N-O 3.14Å; E300-Y302 HydrophobicContact CB-CE1 4.46Å; E300-Y302 HydrophobicContact CB-CE2 3.94Å; E300-Y302 PolarHBondContact OE2-OH 2.92Å; E300-I313 HydrophobicContact CB-CD1 4.02Å; E300-I313 HydrophobicContact CG-CD1 3.86Å; E300-I313 WeakPolarHBondContact OE2-CD1 3.44Å; E300-R334 IonicContact OE1-CZ 3.98Å; E300-R334 IonicContact OE1-NE 3.47Å; E300-R334 IonicContact OE1-NH2 3.71Å; E300-R334 PolarHBondContact OE1-NH2 3.08Å; E300-R334 IonicContact OE2-CZ 2.97Å; E300-R334 IonicContact OE2-NE 2.66Å; E300-R334 PolarHBondContact OE2-NE 2.94Å; E300-R334 IonicContact OE2-NH2 2.71Å; E300-R334 PolarHBondContact OE2-NH2 3.3Å
301	Y	98.2	Very high	95.3	Very high	17 Å²	17	48.7 Å²	48.7	7%	0.067	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	119.2	176.5	-61.2	-89.1	0	0	0	109.3	V274 V285 V288 K289 L299 T312 I313	V274-Y301 HydrophobicContact CB-CD1 3.76Å; V274-Y301 HydrophobicContact CB-CE1 4.23Å; V274-Y301 HydrophobicContact CG1-CD1 3.87Å; V274-Y301 HydrophobicContact CG1-CE1 4.28Å; V274-Y301 HydrophobicContact CG2-CD1 4.15Å; V274-Y301 HydrophobicContact CG2-CE1 4.13Å; V285-Y301 HydrophobicContact CG1-CD1 3.69Å; V285-Y301 HydrophobicContact CG1-CE1 3.54Å; V285-Y301 HydrophobicContact CG1-CG 4.45Å; V288-Y301 HydrophobicContact CB-CE1 4.4Å; V288-Y301 HydrophobicContact CG1-CE1 3.93Å; K289-Y301 WeakPolarHBondContact CG-OH 3.21Å; L299-Y301 HydrophobicContact CD2-CE2 3.91Å; L299-Y301 WeakPolarHBondContact CD2-OH 3.5Å; L299-Y301 HydrophobicContact CG-CE2 4.07Å; Y301-T312 CarbonylContact O-C 3.5Å; Y301-T312 VanDerWaalsContact O-CA 3.25Å; Y301-T312 WeakPolarHBondContact O-CA 3.45Å; Y301-I313 PolarHBondContact O-N 3.17Å
302	Y	98.2	Very high	95.3	Very high	1 Å²	1	48.7 Å²	48.7	0%	0.004	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	115.9	-176.8	-66	-70.4	0	0	0	111.3	F271 A273 V274 T276 E300 I313 L315 I331 R334	F271-Y302 HydrophobicContact CE1-CE2 4.46Å; F271-Y302 WeakPolarHBondContact CZ-OH 3.39Å; A273-Y302 HydrophobicContact CB-CD2 3.9Å; A273-Y302 HydrophobicContact CB-CE2 3.51Å; V274-Y302 PolarHBondContact O-N 3.27Å; T276-Y302 CarbonylContact C-O 3.54Å; T276-Y302 PolarHBondContact N-O 3.41Å; T276-Y302 VanDerWaalsContact O-O 3.05Å; E300-Y302 HydrophobicContact CB-CE1 4.46Å; E300-Y302 HydrophobicContact CB-CE2 3.94Å; E300-Y302 PolarHBondContact OE2-OH 2.92Å; Y302-I313 WeakPolarHBondContact CA-O 3.48Å; Y302-I313 HydrophobicContact CD1-CB 4.06Å; Y302-I313 HydrophobicContact CD1-CG2 4.35Å; Y302-I313 HydrophobicContact CE1-CB 4.12Å; Y302-I313 HydrophobicContact CE1-CG2 4.17Å; Y302-L315 HydrophobicContact CD1-CD1 3.61Å; Y302-L315 HydrophobicContact CD1-CD2 4.29Å; Y302-L315 HydrophobicContact CD1-CG 3.8Å; Y302-L315 HydrophobicContact CE1-CD1 3.7Å; Y302-L315 HydrophobicContact CE1-CD2 4.08Å; Y302-L315 HydrophobicContact CE1-CG 4.03Å; Y302-L315 HydrophobicContact CG-CD1 4.48Å; Y302-I331 HydrophobicContact CD1-CG1 4.16Å; Y302-I331 HydrophobicContact CD2-CD1 3.58Å; Y302-I331 HydrophobicContact CD2-CG1 3.54Å; Y302-I331 HydrophobicContact CD2-CG2 4.48Å; Y302-I331 HydrophobicContact CE1-CG1 4.43Å; Y302-I331 HydrophobicContact CE2-CD1 4.24Å; Y302-I331 HydrophobicContact CE2-CG1 3.83Å; Y302-I331 HydrophobicContact CE2-CG2 4.08Å; Y302-I331 HydrophobicContact CG-CD1 3.84Å; Y302-I331 HydrophobicContact CG-CG1 3.66Å; Y302-R334 WeakPolarHBondContact OH-CD 3.44Å; Y302-R334 WeakPolarHBondContact OH-CG 3.44Å; Y302-R334 PolarHBondContact OH-NE 2.82Å; Y302-R334 VanDerWaalsContact OH-NE 3.09Å
303	S	97.9	Very high	95.3	Very high	3 Å²	3	50.6 Å²	50.6	2%	0.021	29%	0.286	C	S	.	.			trans	-132.6	160.4	-174.1	-173	0	0	0	0	111.1	K278 H281 Y305 I313 N314	K278-S303 PolarHBondContact N-OG 2.82Å; H281-S303 WeakPolarHBondContact NE2-CB 3.28Å; H281-S303 PolarHBondContact NE2-OG 3.46Å; S303-Y305 WeakPolarHBondContact CB-O 3.21Å; S303-Y305 PolarHBondContact O-N 2.9Å; S303-Y305 PolarHBondContact OG-N 2.82Å; S303-Y305 PolarHBondContact OG-O 3.47Å; S303-I313 PolarHBondContact N-O 2.7Å; S303-I313 VanDerWaalsContact N-O 3.14Å; S303-N314 WeakPolarHBondContact O-CA 3.28Å
304	D	96.4	Very high	95.3	Very high	47 Å²	47	53.6 Å²	53.6	25%	0.251	30%	0.3	S	S	.	.	S	Bend	trans	-72.6	-7.2	167.3	62.3	-51.7	0	0	0	112.7	C277 K278 N314 N319	C277-D304 WeakPolarHBondContact CA-OD1 3.3Å; C277-D304 VanDerWaalsContact CB-OD1 3.22Å; C277-D304 WeakPolarHBondContact CB-OD1 3.25Å; K278-D304 PolarHBondContact N-OD1 2.72Å; D304-N314 PolarHBondContact O-ND2 2.84Å; D304-N314 VanDerWaalsContact O-ND2 3.09Å; D304-N319 HydrophobicContact CB-CB 3.8Å
305	Y	96.4	Very high	95.5	Very high	108 Å²	108	48.7 Å²	48.7	42%	0.424	28%	0.281	S	S	.	.	S	Bend	trans	-135.8	128.6	-179.6	-171	-93.5	0	0	0	111.2	K278 S303 D307 T312	K278-Y305 HydrophobicContact CB-CG 4.47Å; K278-Y305 HydrophobicContact CD-CD1 4.24Å; K278-Y305 HydrophobicContact CD-CD2 3.88Å; K278-Y305 HydrophobicContact CD-CE2 4.47Å; K278-Y305 HydrophobicContact CD-CG 3.75Å; K278-Y305 HydrophobicContact CG-CD1 4.34Å; K278-Y305 HydrophobicContact CG-CG 4.11Å; S303-Y305 WeakPolarHBondContact CB-O 3.21Å; S303-Y305 PolarHBondContact O-N 2.9Å; S303-Y305 PolarHBondContact OG-N 2.82Å; S303-Y305 PolarHBondContact OG-O 3.47Å; Y305-D307 HydrophobicContact CD1-CB 4.26Å; Y305-D307 HydrophobicContact CE1-CB 4.49Å; Y305-T312 PolarHBondContact O-OG1 3.38Å
306	A	96	Very high	95.5	Very high	56 Å²	56	48.1 Å²	48.1	46%	0.463	30%	0.296	S	S	.	.			trans	-79.6	120.6	174.6	0	0	0	0	0	110.2	T312 N314	A306-T312 WeakPolarHBondContact CA-OG1 3.45Å; A306-N314 HydrophobicContact CB-CB 4.33Å
307	D	94.5	Very high	95.5	Very high	33 Å²	33	48.2 Å²	48.2	18%	0.176	29%	0.294	C	S	.	.			trans	-127.9	108.8	-175.2	-172.5	-25.1	0	0	0	109.5	H281 Y305 S309 I310 P311 T312	H281-D307 IonicContact CE1-OD2 2.68Å; H281-D307 IonicContact ND1-OD2 3.98Å; H281-D307 PolarHBondContact ND1-OD2 2.96Å; Y305-D307 HydrophobicContact CD1-CB 4.26Å; Y305-D307 HydrophobicContact CE1-CB 4.49Å; D307-S309 PolarHBondContact O-N 3.05Å; D307-S309 WeakPolarHBondContact OD1-CB 3.36Å; D307-S309 PolarHBondContact OD1-N 3.3Å; D307-S309 PolarHBondContact OD1-OG 3.23Å; D307-I310 CarbonylContact O-C 3.59Å; D307-I310 PolarHBondContact O-N 3.38Å; D307-P311 VanDerWaalsContact O-CA 3.28Å; D307-P311 WeakPolarHBondContact O-CA 2.93Å; D307-T312 PolarHBondContact N-OG1 2.88Å; D307-T312 PolarHBondContact O-N 2.93Å
308	P	91.1	Very high	95.4	Very high	125 Å²	125	48.9 Å²	48.9	81%	0.812	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.3	-22.7	-179.6	-24.7	34.9	0	0	0	114.5	I310	P308-I310 VanDerWaalsContact C-N 3.31Å
309	S	90.6	Very high	95.3	Very high	83 Å²	83	50.1 Å²	50.1	58%	0.58	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.4	-24.4	-179	74	0	0	0	0	112.9	D307	D307-S309 PolarHBondContact O-N 3.05Å; D307-S309 WeakPolarHBondContact OD1-CB 3.36Å; D307-S309 PolarHBondContact OD1-N 3.3Å; D307-S309 PolarHBondContact OD1-OG 3.23Å
310	I	87.8	Confident	95.2	Very high	16 Å²	16	49.3 Å²	49.3	8%	0.082	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	-136.3	81.2	177.1	-58.8	163.2	0	0	0	103.4	H281 V285 D307 P308 T312	H281-I310 HydrophobicContact CB-CD1 3.84Å; H281-I310 WeakPolarHBondContact O-CD1 3.12Å; V285-I310 HydrophobicContact CB-CG2 4.2Å; V285-I310 HydrophobicContact CG1-CG2 3.31Å; D307-I310 CarbonylContact O-C 3.59Å; D307-I310 PolarHBondContact O-N 3.38Å; P308-I310 VanDerWaalsContact C-N 3.31Å; I310-T312 HydrophobicContact CG2-CG2 4.12Å; I310-T312 WeakPolarHBondContact O-CA 3.23Å; I310-T312 WeakPolarHBondContact O-CB 3.31Å; I310-T312 WeakPolarHBondContact O-CG2 3.5Å; I310-T312 PolarHBondContact O-N 3.47Å
311	P	89.7	Confident	94.7	Very high	87 Å²	87	56.7 Å²	56.7	57%	0.565	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.9	80.1	-156.9	23.9	-36.2	0	0	0	112.7	D307	D307-P311 VanDerWaalsContact O-CA 3.28Å; D307-P311 WeakPolarHBondContact O-CA 2.93Å
312	T	96.6	Very high	94.1	Very high	10 Å²	10	66.6 Å²	66.6	6%	0.061	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	143.2	-172	55.4	0	0	0	0	108.1	T276 Y301 Y305 A306 D307 I310	T276-T312 HydrophobicContact CG2-CG2 4.4Å; Y301-T312 CarbonylContact O-C 3.5Å; Y301-T312 VanDerWaalsContact O-CA 3.25Å; Y301-T312 WeakPolarHBondContact O-CA 3.45Å; Y305-T312 PolarHBondContact O-OG1 3.38Å; A306-T312 WeakPolarHBondContact CA-OG1 3.45Å; D307-T312 PolarHBondContact N-OG1 2.88Å; D307-T312 PolarHBondContact O-N 2.93Å; I310-T312 HydrophobicContact CG2-CG2 4.12Å; I310-T312 WeakPolarHBondContact O-CA 3.23Å; I310-T312 WeakPolarHBondContact O-CB 3.31Å; I310-T312 WeakPolarHBondContact O-CG2 3.5Å; I310-T312 PolarHBondContact O-N 3.47Å
313	I	97.2	Very high	93.8	Very high	40 Å²	40	66.7 Å²	66.7	21%	0.205	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	119.4	-177	-55.9	-172.7	0	0	0	107.7	E300 Y301 Y302 S303 L315	E300-I313 HydrophobicContact CB-CD1 4.02Å; E300-I313 HydrophobicContact CG-CD1 3.86Å; E300-I313 WeakPolarHBondContact OE2-CD1 3.44Å; Y301-I313 PolarHBondContact O-N 3.17Å; Y302-I313 WeakPolarHBondContact CA-O 3.48Å; Y302-I313 HydrophobicContact CD1-CB 4.06Å; Y302-I313 HydrophobicContact CD1-CG2 4.35Å; Y302-I313 HydrophobicContact CE1-CB 4.12Å; Y302-I313 HydrophobicContact CE1-CG2 4.17Å; S303-I313 PolarHBondContact N-O 2.7Å; S303-I313 VanDerWaalsContact N-O 3.14Å; I313-L315 HydrophobicContact CG2-CD2 3.68Å; I313-L315 HydrophobicContact CG2-CG 4.44Å
314	N	97.1	Very high	93.8	Very high	73 Å²	73	68.8 Å²	68.8	39%	0.39	38%	0.383	S	S	.	.			trans	-91	113.5	171.7	-174.5	-7.8	0	0	0	109.6	S303 D304 A306 G316	S303-N314 WeakPolarHBondContact O-CA 3.28Å; D304-N314 PolarHBondContact O-ND2 2.84Å; D304-N314 VanDerWaalsContact O-ND2 3.09Å; A306-N314 HydrophobicContact CB-CB 4.33Å; N314-G316 VanDerWaalsContact C-N 3.26Å; N314-G316 PolarHBondContact O-N 3.13Å; N314-G316 WeakPolarHBondContact OD1-CA 3.33Å; N314-G316 PolarHBondContact OD1-N 3.23Å
315	L	97.1	Very high	93.9	Very high	53 Å²	53	66.6 Å²	66.6	28%	0.277	37%	0.371	S	S	.	.			trans	-88.5	14.1	177.4	-57.8	-177.2	0	0	0	113.5	Y302 I313 V317 A330 I331 R334	Y302-L315 HydrophobicContact CD1-CD1 3.61Å; Y302-L315 HydrophobicContact CD1-CD2 4.29Å; Y302-L315 HydrophobicContact CD1-CG 3.8Å; Y302-L315 HydrophobicContact CE1-CD1 3.7Å; Y302-L315 HydrophobicContact CE1-CD2 4.08Å; Y302-L315 HydrophobicContact CE1-CG 4.03Å; Y302-L315 HydrophobicContact CG-CD1 4.48Å; I313-L315 HydrophobicContact CG2-CD2 3.68Å; I313-L315 HydrophobicContact CG2-CG 4.44Å; L315-V317 VanDerWaalsContact C-N 3.3Å; L315-V317 PolarHBondContact O-N 3.22Å; L315-A330 HydrophobicContact CB-CB 3.94Å; L315-A330 HydrophobicContact CD1-CB 3.66Å; L315-A330 HydrophobicContact CG-CB 4.47Å; L315-I331 HydrophobicContact CD1-CG1 4.18Å; L315-R334 HydrophobicContact CD1-CB 4.38Å; L315-R334 VanDerWaalsContact CD2-CD 3.49Å
316	G	96.3	Very high	93.9	Very high	66 Å²	66	61.8 Å²	61.8	68%	0.68	36%	0.355	S	S	*	.	S	Bend	trans	77.2	13.5	-178.5	0	0	0	0	0	114.1	N314	N314-G316 VanDerWaalsContact C-N 3.26Å; N314-G316 PolarHBondContact O-N 3.13Å; N314-G316 WeakPolarHBondContact OD1-CA 3.33Å; N314-G316 PolarHBondContact OD1-N 3.23Å
317	V	96.1	Very high	94	Very high	21 Å²	21	59.7 Å²	59.7	13%	0.127	34%	0.335	C	S	.	.	P	Polyproline II helix	trans	-104	122.5	178	-173.8	0	0	0	0	109.5	L315 K327 A330	L315-V317 VanDerWaalsContact C-N 3.3Å; L315-V317 PolarHBondContact O-N 3.22Å; V317-K327 HydrophobicContact CG1-CB 4.39Å; V317-A330 HydrophobicContact CG2-CB 3.85Å
318	P	94.4	Very high	94.2	Very high	75 Å²	75	58.1 Å²	58.1	49%	0.487	33%	0.327	S	S	.	.	P	Polyproline II helix	trans	-67.1	157.5	178.6	28.9	-35	0	0	0	111.7
319	N	94.7	Very high	94.5	Very high	62 Å²	62	52.3 Å²	52.3	33%	0.332	29%	0.289	S	S	.	.	P	Polyproline II helix	trans	-71.8	148.6	170.7	-170.7	62.5	0	0	0	111.5	C277 D304 K327	C277-N319 HydrophobicContact CB-CB 4.07Å; C277-N319 VanDerWaalsContact CB-CG 3.47Å; C277-N319 WeakPolarHBondContact CB-OD1 3.3Å; D304-N319 HydrophobicContact CB-CB 3.8Å; N319-K327 PolarHBondContact OD1-NZ 3.14Å
320	T	94.5	Very high	94.9	Very high	25 Å²	25	49 Å²	49	15%	0.153	27%	0.267	C	S	.	.			trans	-131.8	163.3	-176.4	48.4	0	0	0	0	109.3	G323 H324 N417 D418	T320-G323 WeakPolarHBondContact CB-O 3.34Å; T320-G323 PolarHBondContact OG1-O 3.19Å; T320-H324 PolarHBondContact O-CE1 2.88Å; T320-H324 PolarHBondContact OG1-ND1 2.92Å; T320-N417 HydrophobicContact CG2-CB 4.44Å; T320-D418 HydrophobicContact CG2-CB 3.7Å
321	E	88.2	Confident	95.4	Very high	189 Å²	189	48.2 Å²	48.2	88%	0.883	26%	0.263	S	S	*	.	S	Bend	trans	-98.3	-30.1	-176.9	-67.4	-169.5	164.7	0	0	115.1
322	R	85.3	Confident	95.8	Very high	225 Å²	225	44.1 Å²	44.1	85%	0.849	24%	0.236	S	C	*	.	S	Bend	trans	-109	-29	-167.2	-65.8	-176.9	-178.3	-174.3	-0.5	115.1
323	G	92.8	Very high	95.9	Very high	3 Å²	3	49.4 Å²	49.4	3%	0.031	26%	0.255	C	S	.	.			trans	-159.8	164.5	179.7	0	0	0	0	0	110.1	T320 D418 A419	T320-G323 WeakPolarHBondContact CB-O 3.34Å; T320-G323 PolarHBondContact OG1-O 3.19Å; G323-D418 CarbonylContact C-O 3.51Å; G323-D418 WeakPolarHBondContact CA-O 3.18Å; G323-D418 PolarHBondContact N-O 2.79Å; G323-D418 VanDerWaalsContact N-O 3.13Å; G323-D418 WeakPolarHBondContact O-CA 3.34Å; G323-A419 CarbonylContact C-O 3.58Å; G323-A419 WeakPolarHBondContact CA-O 3.32Å
324	H	96.8	Very high	95.9	Very high	48 Å²	48	49.3 Å²	49.3	22%	0.222	25%	0.252	C	S	.	.			trans	-129.1	25.1	-168.6	-61.7	-53.8	0	0	0	113.2	T320 G326 K327 T328 A419	T320-H324 PolarHBondContact O-CE1 2.88Å; T320-H324 PolarHBondContact OG1-ND1 2.92Å; H324-G326 VanDerWaalsContact C-N 3.31Å; H324-G326 PolarHBondContact O-N 3.24Å; H324-K327 WeakPolarHBondContact O-CB 3.37Å; H324-K327 PolarHBondContact O-N 2.67Å; H324-T328 PolarHBondContact O-N 2.91Å; H324-T328 PolarHBondContact O-OG1 3.43Å; H324-A419 PolarHBondContact N-O 2.9Å; H324-A419 VanDerWaalsContact N-O 3.17Å
325	C	97.8	Very high	96	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-53	-46.6	-173.5	-169	0	0	0	0	112.9	K327 T328 F329 C414 N417 A419 D421	C325-K327 VanDerWaalsContact C-N 3.27Å; C325-K327 PolarHBondContact O-N 2.55Å; C325-T328 PolarHBondContact O-N 2.88Å; C325-F329 PolarHBondContact O-N 3.12Å; C325-C414 HydrophobicContact CB-CB 3.8Å; C325-C414 WeakPolarHBondContact CB-SG 3.18Å; C325-C414 PolarHBondContact O-SG 3.18Å; C325-C414 VanDerWaalsContact SG-CA 3.57Å; C325-C414 WeakPolarHBondContact SG-CB 3.13Å; C325-C414 CovalentContact SG-SG 2.03Å; C325-C414 PolarHBondContact SG-SG 3.37Å; C325-N417 PolarHBondContact N-O 2.93Å; C325-A419 HydrophobicContact CB-CB 3.8Å; C325-A419 VanDerWaalsContact CB-O 3.27Å; C325-A419 WeakPolarHBondContact CB-O 2.98Å; C325-A419 PolarHBondContact N-O 2.82Å; C325-A419 VanDerWaalsContact N-O 3.11Å; C325-D421 HydrophobicContact CB-CB 4.21Å
326	G	97.6	Very high	96	Very high	7 Å²	7	46.2 Å²	46.2	7%	0.072	24%	0.235	C	C	.	.	H	α-helix	trans	-57.5	-42.2	179.9	0	0	0	0	0	112.4	H324 A330 N417	H324-G326 VanDerWaalsContact C-N 3.31Å; H324-G326 PolarHBondContact O-N 3.24Å; G326-A330 WeakPolarHBondContact O-CB 3.37Å; G326-A330 PolarHBondContact O-N 3.15Å; G326-N417 PolarHBondContact N-O 3.3Å; G326-N417 VanDerWaalsContact N-O 3.1Å
327	K	97.9	Very high	96.1	Very high	13 Å²	13	44.8 Å²	44.8	6%	0.057	22%	0.215	C	C	.	.	H	α-helix	trans	-68.9	-43.7	179.8	-169.5	-179.6	-65.3	167.8	0	110.4	K275 T276 V317 N319 H324 C325 A330 I331	K275-K327 HydrophobicContact CB-CD 4.5Å; K275-K327 HydrophobicContact CG-CD 4.38Å; T276-K327 PolarHBondContact O-NZ 2.77Å; V317-K327 HydrophobicContact CG1-CB 4.39Å; N319-K327 PolarHBondContact OD1-NZ 3.14Å; H324-K327 WeakPolarHBondContact O-CB 3.37Å; H324-K327 PolarHBondContact O-N 2.67Å; C325-K327 VanDerWaalsContact C-N 3.27Å; C325-K327 PolarHBondContact O-N 2.55Å; K327-A330 WeakPolarHBondContact O-CB 3.21Å; K327-A330 PolarHBondContact O-N 3.22Å; K327-I331 HydrophobicContact CG-CD1 4.39Å; K327-I331 VanDerWaalsContact O-CG1 3.32Å; K327-I331 WeakPolarHBondContact O-CG1 3.36Å; K327-I331 PolarHBondContact O-N 2.94Å
328	T	98.2	Very high	96.1	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-62.8	-45.6	178.4	-57.3	0	0	0	0	111.8	K275 H324 C325 A330 I331 L332 I348 M397 D421 L425	K275-T328 WeakPolarHBondContact CD-OG1 3.5Å; H324-T328 PolarHBondContact O-N 2.91Å; H324-T328 PolarHBondContact O-OG1 3.43Å; C325-T328 PolarHBondContact O-N 2.88Å; T328-A330 VanDerWaalsContact C-N 3.33Å; T328-A330 PolarHBondContact O-N 3.31Å; T328-I331 WeakPolarHBondContact O-CB 3.23Å; T328-I331 PolarHBondContact O-N 2.6Å; T328-I331 VanDerWaalsContact O-N 3.16Å; T328-L332 WeakPolarHBondContact O-CG 3.38Å; T328-L332 PolarHBondContact O-N 2.95Å; T328-I348 HydrophobicContact CG2-CD1 4.03Å; T328-M397 HydrophobicContact CG2-CE 4.48Å; T328-D421 HydrophobicContact CG2-CB 4.26Å; T328-D421 PolarHBondContact OG1-OD2 3.04Å; T328-L425 HydrophobicContact CG2-CD1 3.83Å
329	F	98.3	Very high	96.1	Very high	2 Å²	2	52.5 Å²	52.5	1%	0.009	26%	0.256	C	S	.	.	H	α-helix	trans	-66.4	-32.3	174.9	-88.5	-103.3	0	0	0	113.3	C325 L332 R333 L408 C412 C414 V424 L425	C325-F329 PolarHBondContact O-N 3.12Å; F329-L332 HydrophobicContact CG-CD1 4.45Å; F329-L332 PolarHBondContact O-N 2.98Å; F329-R333 WeakPolarHBondContact O-CG 3.38Å; F329-R333 PolarHBondContact O-N 2.95Å; F329-L408 HydrophobicContact CD1-CD2 4.07Å; F329-L408 HydrophobicContact CE1-CD2 4.41Å; F329-C412 WeakPolarHBondContact CE1-O 3.42Å; F329-C412 WeakPolarHBondContact CZ-SG 3.27Å; F329-C414 WeakPolarHBondContact CD2-SG 3.41Å; F329-V424 HydrophobicContact CE2-CG1 4.12Å; F329-V424 HydrophobicContact CZ-CG1 4.43Å; F329-L425 HydrophobicContact CE2-CD2 3.75Å; F329-L425 HydrophobicContact CE2-CG 4.36Å; F329-L425 HydrophobicContact CZ-CD2 3.95Å
330	A	98.2	Very high	96.2	Very high	14 Å²	14	50.1 Å²	50.1	12%	0.116	24%	0.243	C	C	.	.	H	α-helix	trans	-64.9	-40	172	0	0	0	0	0	111.8	L315 V317 G326 K327 T328 R333 R334	L315-A330 HydrophobicContact CB-CB 3.94Å; L315-A330 HydrophobicContact CD1-CB 3.66Å; L315-A330 HydrophobicContact CG-CB 4.47Å; V317-A330 HydrophobicContact CG2-CB 3.85Å; G326-A330 WeakPolarHBondContact O-CB 3.37Å; G326-A330 PolarHBondContact O-N 3.15Å; K327-A330 WeakPolarHBondContact O-CB 3.21Å; K327-A330 PolarHBondContact O-N 3.22Å; T328-A330 VanDerWaalsContact C-N 3.33Å; T328-A330 PolarHBondContact O-N 3.31Å; A330-R333 PolarHBondContact O-N 3.3Å; A330-R334 WeakPolarHBondContact O-CB 3.36Å; A330-R334 PolarHBondContact O-N 2.99Å
331	I	98.5	Very high	96.3	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-61.9	-46	173.8	-68.3	167.1	0	0	0	110.9	A273 K275 Y302 L315 K327 T328 R333 R334 F335 L346 I348	A273-I331 HydrophobicContact CB-CG2 3.54Å; K275-I331 HydrophobicContact CD-CD1 4.44Å; K275-I331 HydrophobicContact CG-CD1 3.68Å; Y302-I331 HydrophobicContact CD1-CG1 4.16Å; Y302-I331 HydrophobicContact CD2-CD1 3.58Å; Y302-I331 HydrophobicContact CD2-CG1 3.54Å; Y302-I331 HydrophobicContact CD2-CG2 4.48Å; Y302-I331 HydrophobicContact CE1-CG1 4.43Å; Y302-I331 HydrophobicContact CE2-CD1 4.24Å; Y302-I331 HydrophobicContact CE2-CG1 3.83Å; Y302-I331 HydrophobicContact CE2-CG2 4.08Å; Y302-I331 HydrophobicContact CG-CD1 3.84Å; Y302-I331 HydrophobicContact CG-CG1 3.66Å; L315-I331 HydrophobicContact CD1-CG1 4.18Å; K327-I331 HydrophobicContact CG-CD1 4.39Å; K327-I331 VanDerWaalsContact O-CG1 3.32Å; K327-I331 WeakPolarHBondContact O-CG1 3.36Å; K327-I331 PolarHBondContact O-N 2.94Å; T328-I331 WeakPolarHBondContact O-CB 3.23Å; T328-I331 PolarHBondContact O-N 2.6Å; T328-I331 VanDerWaalsContact O-N 3.16Å; I331-R333 VanDerWaalsContact C-N 3.34Å; I331-R333 PolarHBondContact O-N 2.85Å; I331-R334 WeakPolarHBondContact O-CB 3.49Å; I331-R334 PolarHBondContact O-N 3.03Å; I331-R334 VanDerWaalsContact O-N 3.16Å; I331-F335 WeakPolarHBondContact O-CB 3.04Å; I331-F335 PolarHBondContact O-N 3.03Å; I331-L346 HydrophobicContact CG2-CD1 4.48Å; I331-I348 HydrophobicContact CG2-CD1 4.04Å; I331-I348 HydrophobicContact CG2-CG1 4.28Å
332	L	98.5	Very high	96.7	Very high	0 Å²	0	54 Å²	54	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-58.1	-45.2	177.3	-66.5	172.8	0	0	0	111.7	T328 F329 R334 F335 L336 L346 I348 V404 L407 L408 L425	T328-L332 WeakPolarHBondContact O-CG 3.38Å; T328-L332 PolarHBondContact O-N 2.95Å; F329-L332 HydrophobicContact CG-CD1 4.45Å; F329-L332 PolarHBondContact O-N 2.98Å; L332-R334 VanDerWaalsContact C-N 3.35Å; L332-F335 WeakPolarHBondContact O-CB 3.03Å; L332-F335 PolarHBondContact O-N 3.16Å; L332-L336 PolarHBondContact O-N 2.82Å; L332-L346 HydrophobicContact CD2-CD2 3.62Å; L332-I348 HydrophobicContact CD2-CD1 4.12Å; L332-V404 HydrophobicContact CB-CG1 4Å; L332-V404 HydrophobicContact CD2-CB 4.46Å; L332-V404 HydrophobicContact CD2-CG1 3.8Å; L332-V404 HydrophobicContact CD2-CG2 3.9Å; L332-V404 HydrophobicContact CG-CG1 4.47Å; L332-L407 HydrophobicContact CD1-CD2 3.59Å; L332-L408 HydrophobicContact CB-CD1 4.07Å; L332-L408 HydrophobicContact CB-CD2 4.22Å; L332-L408 HydrophobicContact CB-CG 4.36Å; L332-L425 HydrophobicContact CD1-CD2 3.87Å
333	R	98.1	Very high	97.3	Very high	121 Å²	121	43.3 Å²	43.3	46%	0.457	22%	0.216	S	C	.	.	H	α-helix	trans	-64.4	-40.4	176.4	-69.7	179.2	-168.9	116.2	0.1	111.7	F329 A330 I331 F335 L336 S337 L408 N413	F329-R333 WeakPolarHBondContact O-CG 3.38Å; F329-R333 PolarHBondContact O-N 2.95Å; A330-R333 PolarHBondContact O-N 3.3Å; I331-R333 VanDerWaalsContact C-N 3.34Å; I331-R333 PolarHBondContact O-N 2.85Å; R333-F335 VanDerWaalsContact C-N 3.33Å; R333-F335 PolarHBondContact O-N 2.93Å; R333-L336 PolarHBondContact O-N 3.34Å; R333-S337 PolarHBondContact O-N 3.35Å; R333-S337 VanDerWaalsContact O-N 3.16Å; R333-L408 HydrophobicContact CG-CD1 4.03Å; R333-L408 HydrophobicContact CG-CD2 4.06Å; R333-N413 PolarHBondContact NH2-OD1 3.47Å
334	R	98.1	Very high	97.5	Very high	39 Å²	39	46 Å²	46	15%	0.147	23%	0.23	C	C	.	.	H	α-helix	trans	-62.2	-41	176.2	178.5	159	171.2	95.4	15.1	112.1	E300 Y302 L315 A330 I331 L332 L336 S337 V340	E300-R334 IonicContact OE1-CZ 3.98Å; E300-R334 IonicContact OE1-NE 3.47Å; E300-R334 IonicContact OE1-NH2 3.71Å; E300-R334 PolarHBondContact OE1-NH2 3.08Å; E300-R334 IonicContact OE2-CZ 2.97Å; E300-R334 IonicContact OE2-NE 2.66Å; E300-R334 PolarHBondContact OE2-NE 2.94Å; E300-R334 IonicContact OE2-NH2 2.71Å; E300-R334 PolarHBondContact OE2-NH2 3.3Å; Y302-R334 WeakPolarHBondContact OH-CD 3.44Å; Y302-R334 WeakPolarHBondContact OH-CG 3.44Å; Y302-R334 PolarHBondContact OH-NE 2.82Å; Y302-R334 VanDerWaalsContact OH-NE 3.09Å; L315-R334 HydrophobicContact CD1-CB 4.38Å; L315-R334 VanDerWaalsContact CD2-CD 3.49Å; A330-R334 WeakPolarHBondContact O-CB 3.36Å; A330-R334 PolarHBondContact O-N 2.99Å; I331-R334 WeakPolarHBondContact O-CB 3.49Å; I331-R334 PolarHBondContact O-N 3.03Å; I331-R334 VanDerWaalsContact O-N 3.16Å; L332-R334 VanDerWaalsContact C-N 3.35Å; R334-L336 VanDerWaalsContact C-N 3.27Å; R334-L336 PolarHBondContact O-N 3.15Å; R334-S337 WeakPolarHBondContact O-CB 3.01Å; R334-S337 PolarHBondContact O-N 2.92Å; R334-S337 PolarHBondContact O-OG 2.84Å; R334-V340 HydrophobicContact CG-CG1 4.03Å; R334-V340 WeakPolarHBondContact O-CG2 3.3Å
335	F	98.3	Very high	97.6	Very high	0 Å²	0	44 Å²	44	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-61.3	-31	177.5	175.1	-104.5	0	0	0	114	F271 I331 L332 R333 T343 L346 R401 V404	F271-F335 HydrophobicContact CB-CD2 4.01Å; F271-F335 HydrophobicContact CB-CE2 3.84Å; F271-F335 AromaticContact CD1-CD2 3.87Å; F271-F335 HydrophobicContact CD1-CD2 3.87Å; F271-F335 HydrophobicContact CG-CD2 4.1Å; F271-F335 HydrophobicContact CG-CE2 4.43Å; I331-F335 WeakPolarHBondContact O-CB 3.04Å; I331-F335 PolarHBondContact O-N 3.03Å; L332-F335 WeakPolarHBondContact O-CB 3.03Å; L332-F335 PolarHBondContact O-N 3.16Å; R333-F335 VanDerWaalsContact C-N 3.33Å; R333-F335 PolarHBondContact O-N 2.93Å; F335-T343 WeakPolarHBondContact CE2-OG1 3.02Å; F335-L346 HydrophobicContact CB-CD1 4.37Å; F335-L346 HydrophobicContact CB-CD2 4.05Å; F335-L346 HydrophobicContact CD1-CB 4.17Å; F335-L346 HydrophobicContact CD1-CD2 4.07Å; F335-L346 HydrophobicContact CD2-CB 3.89Å; F335-L346 HydrophobicContact CD2-CD1 3.88Å; F335-L346 HydrophobicContact CD2-CD2 4.37Å; F335-L346 HydrophobicContact CD2-CG 4.26Å; F335-L346 HydrophobicContact CE1-CB 3.99Å; F335-L346 HydrophobicContact CE2-CB 3.66Å; F335-L346 HydrophobicContact CE2-CD1 4.38Å; F335-L346 HydrophobicContact CG-CB 4.12Å; F335-L346 HydrophobicContact CG-CD1 4.17Å; F335-L346 HydrophobicContact CG-CD2 3.91Å; F335-L346 HydrophobicContact CG-CG 4.3Å; F335-L346 HydrophobicContact CZ-CB 3.72Å; F335-R401 HydrophobicContact CE1-CB 3.99Å; F335-R401 HydrophobicContact CE1-CG 4Å; F335-R401 HydrophobicContact CZ-CB 4.15Å; F335-R401 HydrophobicContact CZ-CG 4.45Å; F335-R401 VanDerWaalsContact CZ-CZ 3.48Å; F335-R401 PolarHBondContact O-NH1 2.84Å; F335-R401 PolarHBondContact O-NH2 3.16Å; F335-V404 HydrophobicContact CD1-CB 4.16Å; F335-V404 HydrophobicContact CD1-CG1 4.03Å; F335-V404 HydrophobicContact CD1-CG2 4.05Å; F335-V404 HydrophobicContact CE1-CB 4.3Å; F335-V404 HydrophobicContact CE1-CG2 4.07Å
336	L	97.6	Very high	97.7	Very high	60 Å²	60	44 Å²	44	31%	0.314	22%	0.22	S	C	.	.	H	α-helix	trans	-89.2	-7.4	173.6	-60.9	-166.6	0	0	0	114	L332 R333 R334 R401 V404 V405 L408	L332-L336 PolarHBondContact O-N 2.82Å; R333-L336 PolarHBondContact O-N 3.34Å; R334-L336 VanDerWaalsContact C-N 3.27Å; R334-L336 PolarHBondContact O-N 3.15Å; L336-R401 HydrophobicContact CD2-CG 4.13Å; L336-R401 VanDerWaalsContact CD2-NH1 3.32Å; L336-V404 HydrophobicContact CD1-CG1 4.12Å; L336-V404 HydrophobicContact CD2-CB 4.3Å; L336-V404 HydrophobicContact CD2-CG1 4.04Å; L336-V404 HydrophobicContact CG-CG1 3.88Å; L336-V405 HydrophobicContact CD1-CG2 3.9Å; L336-V405 HydrophobicContact CD2-CG2 3.87Å; L336-L408 HydrophobicContact CD1-CD1 3.66Å; L336-L408 HydrophobicContact CG-CD1 4.13Å
337	S	97.6	Very high	97.7	Very high	36 Å²	36	43.6 Å²	43.6	25%	0.252	22%	0.217	S	C	.	.	S	Bend	trans	-81	167.3	-179	82.1	0	0	0	0	112.4	R333 R334 H339	R333-S337 PolarHBondContact O-N 3.35Å; R333-S337 VanDerWaalsContact O-N 3.16Å; R334-S337 WeakPolarHBondContact O-CB 3.01Å; R334-S337 PolarHBondContact O-N 2.92Å; R334-S337 PolarHBondContact O-OG 2.84Å; S337-H339 PolarHBondContact O-N 2.7Å; S337-H339 PolarHBondContact OG-N 2.89Å; S337-H339 PolarHBondContact OG-ND1 3.06Å
338	S	96.4	Very high	97.8	Very high	120 Å²	120	43 Å²	43	84%	0.839	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.5	-3.7	173.6	53.9	0	0	0	0	114.6	V340	S338-V340 VanDerWaalsContact C-N 3.32Å
339	H	95.6	Very high	97.8	Very high	139 Å²	139	43 Å²	43	64%	0.644	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.6	-17.2	-178.5	-64	90	0	0	0	113.6	S337	S337-H339 PolarHBondContact O-N 2.7Å; S337-H339 PolarHBondContact OG-N 2.89Å; S337-H339 PolarHBondContact OG-ND1 3.06Å
340	V	95.8	Very high	97.8	Very high	11 Å²	11	44.2 Å²	44.2	7%	0.067	22%	0.221	C	C	.	.	S	Bend	trans	-123.9	152.2	178.9	-55	0	0	0	0	109.9	F271 R334 S338	F271-V340 HydrophobicContact CD2-CB 4.17Å; F271-V340 HydrophobicContact CD2-CG1 4.48Å; F271-V340 HydrophobicContact CE2-CB 3.73Å; F271-V340 HydrophobicContact CE2-CG1 3.58Å; F271-V340 HydrophobicContact CE2-CG2 4.4Å; F271-V340 HydrophobicContact CZ-CB 4.21Å; F271-V340 HydrophobicContact CZ-CG1 3.66Å; R334-V340 HydrophobicContact CG-CG1 4.03Å; R334-V340 WeakPolarHBondContact O-CG2 3.3Å; S338-V340 VanDerWaalsContact C-N 3.32Å
341	P	95.8	Very high	97.7	Very high	71 Å²	71	43.8 Å²	43.8	46%	0.461	22%	0.216	S	C	.	.			trans	-58.2	150.1	175.9	-25.7	36.5	0	0	0	112.5	L298 T343	L298-P341 HydrophobicContact CD1-CB 4.11Å; L298-P341 HydrophobicContact CD1-CG 4.18Å; L298-P341 HydrophobicContact CD2-CG 3.89Å; P341-T343 HydrophobicContact CB-CG2 4.48Å; P341-T343 PolarHBondContact O-N 2.95Å; P341-T343 VanDerWaalsContact O-N 3.15Å
342	R	97.2	Very high	97.7	Very high	225 Å²	225	44 Å²	44	85%	0.849	22%	0.218	S	C	*	.			trans	-74.2	106.1	173.5	-173.7	178.3	-179.7	132.8	0.1	109.5
343	T	97.8	Very high	97.7	Very high	1 Å²	1	44 Å²	44	1%	0.006	22%	0.218	C	C	.	.			trans	-117.4	158	178.2	61.2	0	0	0	0	111.9	E268 N269 F271 L298 F335 P341 W345 R401	E268-T343 WeakPolarHBondContact O-CG2 3.48Å; N269-T343 WeakPolarHBondContact O-CB 3.47Å; F271-T343 HydrophobicContact CB-CG2 4.18Å; F271-T343 WeakPolarHBondContact CB-OG1 3.38Å; L298-T343 HydrophobicContact CD1-CG2 3.33Å; F335-T343 WeakPolarHBondContact CE2-OG1 3.02Å; P341-T343 HydrophobicContact CB-CG2 4.48Å; P341-T343 PolarHBondContact O-N 2.95Å; P341-T343 VanDerWaalsContact O-N 3.15Å; T343-W345 PolarHBondContact OG1-O 3.23Å; T343-R401 VanDerWaalsContact O-CZ 3.31Å; T343-R401 PolarHBondContact O-NE 3.35Å; T343-R401 PolarHBondContact O-NH2 3.01Å; T343-R401 VanDerWaalsContact O-NH2 3.11Å
344	D	97.9	Very high	97.7	Very high	60 Å²	60	38.4 Å²	38.4	32%	0.321	20%	0.197	S	C	.	.	S	Bend	trans	-76.7	-30.9	-178.5	-64	-33.6	0	0	0	112.8	N269 R401	N269-D344 HydrophobicContact CB-CB 4.44Å; N269-D344 PolarHBondContact ND2-OD2 3.32Å; N269-D344 PolarHBondContact O-N 3.5Å; D344-R401 PolarHBondContact O-N 3.29Å
345	W	98.6	Very high	97.7	Very high	4 Å²	4	36.6 Å²	36.6	2%	0.015	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	143.7	-171.6	-52.9	101.1	0	0	0	112.1	N269 I270 F271 T343 L364 L373 L398 F399	N269-W345 PolarHBondContact O-N 3.29Å; I270-W345 HydrophobicContact CG1-CB 4.25Å; I270-W345 HydrophobicContact CG2-CB 4.45Å; F271-W345 PolarHBondContact N-O 3.49Å; T343-W345 PolarHBondContact OG1-O 3.23Å; W345-L364 HydrophobicContact CB-CD1 4.48Å; W345-L364 HydrophobicContact CD2-CD1 4.17Å; W345-L364 HydrophobicContact CD2-CD2 3.83Å; W345-L364 HydrophobicContact CE3-CD2 3.84Å; W345-L364 HydrophobicContact CG-CD1 4.01Å; W345-L364 HydrophobicContact CH2-CD2 3.89Å; W345-L364 HydrophobicContact CZ2-CD2 3.87Å; W345-L364 HydrophobicContact CZ3-CD2 3.88Å; W345-L373 HydrophobicContact CH2-CD2 4.05Å; W345-L373 HydrophobicContact CZ3-CB 4.38Å; W345-L373 HydrophobicContact CZ3-CD2 3.67Å; W345-L398 HydrophobicContact CB-CD1 4.46Å; W345-L398 HydrophobicContact CE3-CD2 4.18Å; W345-F399 WeakPolarHBondContact CA-O 3.12Å
346	L	98.8	Very high	97.7	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	121.2	168	171.7	62.2	0	0	0	108.8	F271 A273 I331 L332 F335 I348 L398 F399 V404	F271-L346 HydrophobicContact CD1-CD1 3.63Å; F271-L346 HydrophobicContact CE1-CD1 4.28Å; F271-L346 WeakPolarHBondContact O-CA 3.45Å; A273-L346 HydrophobicContact CB-CD1 4.11Å; I331-L346 HydrophobicContact CG2-CD1 4.48Å; L332-L346 HydrophobicContact CD2-CD2 3.62Å; F335-L346 HydrophobicContact CB-CD1 4.37Å; F335-L346 HydrophobicContact CB-CD2 4.05Å; F335-L346 HydrophobicContact CD1-CB 4.17Å; F335-L346 HydrophobicContact CD1-CD2 4.07Å; F335-L346 HydrophobicContact CD2-CB 3.89Å; F335-L346 HydrophobicContact CD2-CD1 3.88Å; F335-L346 HydrophobicContact CD2-CD2 4.37Å; F335-L346 HydrophobicContact CD2-CG 4.26Å; F335-L346 HydrophobicContact CE1-CB 3.99Å; F335-L346 HydrophobicContact CE2-CB 3.66Å; F335-L346 HydrophobicContact CE2-CD1 4.38Å; F335-L346 HydrophobicContact CG-CB 4.12Å; F335-L346 HydrophobicContact CG-CD1 4.17Å; F335-L346 HydrophobicContact CG-CD2 3.91Å; F335-L346 HydrophobicContact CG-CG 4.3Å; F335-L346 HydrophobicContact CZ-CB 3.72Å; L346-I348 HydrophobicContact CD1-CG1 4.08Å; L346-I348 HydrophobicContact CD2-CD1 3.95Å; L346-I348 HydrophobicContact CD2-CG1 3.99Å; L346-I348 HydrophobicContact CG-CD1 4.37Å; L346-I348 HydrophobicContact CG-CG1 3.84Å; L346-L398 CarbonylContact O-C 3.5Å; L346-L398 WeakPolarHBondContact O-CA 3.47Å; L346-F399 HydrophobicContact CB-CB 4.36Å; L346-F399 HydrophobicContact CD2-CD2 4.36Å; L346-F399 HydrophobicContact CG-CD2 4.47Å; L346-F399 PolarHBondContact N-O 3.13Å; L346-F399 PolarHBondContact O-N 3.13Å; L346-V404 HydrophobicContact CD2-CG2 4.04Å
347	L	98.9	Very high	97.7	Very high	0 Å²	0	34 Å²	34	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	121.1	166.9	174.1	66.9	0	0	0	108.7	I270 F271 V272 A273 V349 I355 L357 L360 L398	I270-L347 HydrophobicContact CG2-CB 4.28Å; F271-L347 PolarHBondContact O-N 3.02Å; V272-L347 HydrophobicContact CG1-CD2 3.94Å; V272-L347 HydrophobicContact CG1-CG 4.36Å; V272-L347 HydrophobicContact CG2-CB 4.42Å; V272-L347 HydrophobicContact CG2-CD2 4.18Å; A273-L347 PolarHBondContact N-O 3.28Å; L347-V349 HydrophobicContact CD1-CG1 3.82Å; L347-V349 HydrophobicContact CD2-CG1 4.12Å; L347-V349 HydrophobicContact CG-CG1 3.87Å; L347-I355 HydrophobicContact CD1-CD1 4.01Å; L347-I355 HydrophobicContact CD2-CD1 3.81Å; L347-L357 HydrophobicContact CD2-CD2 3.84Å; L347-L360 HydrophobicContact CD1-CD2 4.29Å; L347-L360 HydrophobicContact CD2-CD2 3.82Å; L347-L360 HydrophobicContact CG-CD2 4.47Å; L347-L398 HydrophobicContact CB-CD1 3.95Å; L347-L398 HydrophobicContact CD1-CD1 4.23Å
348	I	98.8	Very high	97.6	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	126	169.9	-51.2	-176.3	0	0	0	108.3	A273 K275 T328 I331 L332 L346 M397 F399	A273-I348 HydrophobicContact CB-CG1 4.35Å; A273-I348 WeakPolarHBondContact O-CA 3.48Å; K275-I348 HydrophobicContact CD-CG2 4.13Å; K275-I348 HydrophobicContact CG-CG2 4.14Å; T328-I348 HydrophobicContact CG2-CD1 4.03Å; I331-I348 HydrophobicContact CG2-CD1 4.04Å; I331-I348 HydrophobicContact CG2-CG1 4.28Å; L332-I348 HydrophobicContact CD2-CD1 4.12Å; L346-I348 HydrophobicContact CD1-CG1 4.08Å; L346-I348 HydrophobicContact CD2-CD1 3.95Å; L346-I348 HydrophobicContact CD2-CG1 3.99Å; L346-I348 HydrophobicContact CG-CD1 4.37Å; L346-I348 HydrophobicContact CG-CG1 3.84Å; I348-M397 HydrophobicContact CB-CE 4.23Å; I348-M397 HydrophobicContact CG2-CE 4.08Å; I348-M397 PolarHBondContact N-O 3.33Å; I348-M397 PolarHBondContact O-N 2.88Å; I348-F399 HydrophobicContact CD1-CD2 4.38Å; I348-F399 HydrophobicContact CD1-CE2 3.96Å; I348-F399 HydrophobicContact CG1-CD2 4.46Å; I348-F399 HydrophobicContact CG1-CE2 4.25Å
349	V	98.5	Very high	97.5	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	157	177.5	-68	0	0	0	0	110.9	A273 V274 K275 W292 L347 T353	A273-V349 PolarHBondContact O-N 3.3Å; V274-V349 WeakPolarHBondContact CA-O 3.36Å; V274-V349 HydrophobicContact CG2-CG2 3.9Å; K275-V349 PolarHBondContact N-O 3.41Å; W292-V349 HydrophobicContact CH2-CG2 3.65Å; W292-V349 HydrophobicContact CZ2-CG2 3.84Å; L347-V349 HydrophobicContact CD1-CG1 3.82Å; L347-V349 HydrophobicContact CD2-CG1 4.12Å; L347-V349 HydrophobicContact CG-CG1 3.87Å; V349-T353 HydrophobicContact CB-CG2 4.13Å; V349-T353 HydrophobicContact CG1-CG2 3.96Å
350	D	97.9	Very high	97.6	Very high	27 Å²	27	23.1 Å²	23.1	14%	0.144	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	161.2	168.9	-67.6	-29.1	0	0	0	110.3	K275 D352 T353	K275-D350 WeakPolarHBondContact CE-OD1 3.5Å; K275-D350 IonicContact NZ-OD1 2.88Å; K275-D350 PolarHBondContact NZ-OD1 2.93Å; D350-D352 WeakPolarHBondContact CB-OD1 3.49Å; D350-D352 PolarHBondContact O-N 3.26Å; D350-T353 PolarHBondContact N-OG1 3.05Å; D350-T353 VanDerWaalsContact N-OG1 3.17Å; D350-T353 WeakPolarHBondContact O-CB 3.41Å; D350-T353 PolarHBondContact O-N 3.16Å; D350-T353 VanDerWaalsContact O-N 3.13Å; D350-T353 PolarHBondContact O-OG1 3.26Å
351	D	97.5	Very high	97.6	Very high	5 Å²	5	23.9 Å²	23.9	3%	0.027	11%	0.114	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.4	-9.1	-179.9	59.4	13	0	0	0	114.3	V274 K275 T276 F280 R284 H466	V274-D351 HydrophobicContact CG1-CB 4.08Å; K275-D351 WeakPolarHBondContact O-CB 3.26Å; K275-D351 PolarHBondContact O-N 3.3Å; T276-D351 WeakPolarHBondContact CA-OD2 3.38Å; T276-D351 VanDerWaalsContact CB-OD2 3.26Å; T276-D351 WeakPolarHBondContact CB-OD2 3.29Å; T276-D351 PolarHBondContact OG1-OD2 3.11Å; F280-D351 WeakPolarHBondContact CB-OD2 3.32Å; F280-D351 WeakPolarHBondContact CD2-OD2 3.37Å; R284-D351 HydrophobicContact CB-CB 4.04Å; R284-D351 WeakPolarHBondContact CB-O 3.37Å; R284-D351 VanDerWaalsContact CD-CG 3.46Å; R284-D351 WeakPolarHBondContact CD-OD1 3.48Å; R284-D351 IonicContact CZ-OD1 2.7Å; R284-D351 IonicContact NE-OD1 3.19Å; R284-D351 IonicContact NH1-OD1 3.16Å; R284-D351 PolarHBondContact NH1-OD1 3.32Å; D351-H466 PolarHBondContact O-CE1 3.4Å
352	D	97.9	Very high	97.6	Very high	6 Å²	6	21.1 Å²	21.1	3%	0.032	10%	0.097	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109.3	13.2	170.8	56.9	-6.2	0	0	0	114.5	R284 D350 H464 K465 H466	R284-D352 IonicContact CZ-OD2 3.76Å; R284-D352 IonicContact NE-OD2 3.69Å; R284-D352 IonicContact NH1-OD1 3.87Å; R284-D352 PolarHBondContact NH1-OD1 2.89Å; R284-D352 IonicContact NH1-OD2 3.6Å; R284-D352 PolarHBondContact NH1-OD2 3.41Å; R284-D352 IonicContact NH2-OD2 3.13Å; R284-D352 PolarHBondContact NH2-OD2 2.97Å; D350-D352 WeakPolarHBondContact CB-OD1 3.49Å; D350-D352 PolarHBondContact O-N 3.26Å; D352-H464 IonicContact OD1-CD2 2.62Å; D352-H464 PolarHBondContact OD1-CD2 3.44Å; D352-H464 IonicContact OD1-NE2 3.58Å; D352-H464 PolarHBondContact OD1-NE2 2.86Å; D352-H464 IonicContact OD2-NE2 3.01Å; D352-K465 HydrophobicContact CB-CB 3.91Å; D352-K465 WeakPolarHBondContact O-CA 3.45Å; D352-K465 VanDerWaalsContact OD2-CB 3.24Å; D352-K465 WeakPolarHBondContact OD2-CB 3.18Å; D352-H466 HydrophobicContact CB-CB 4.21Å; D352-H466 PolarHBondContact O-CD2 2.93Å
353	T	98.6	Very high	97.5	Very high	0 Å²	0	10.6 Å²	10.6	0%	0	6%	0.057	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	130.3	167.6	-53.2	0	0	0	0	110.7	W292 V349 D350 G394	W292-T353 PolarHBondContact NE1-O 3.08Å; V349-T353 HydrophobicContact CB-CG2 4.13Å; V349-T353 HydrophobicContact CG1-CG2 3.96Å; D350-T353 PolarHBondContact N-OG1 3.05Å; D350-T353 VanDerWaalsContact N-OG1 3.17Å; D350-T353 WeakPolarHBondContact O-CB 3.41Å; D350-T353 PolarHBondContact O-N 3.16Å; D350-T353 VanDerWaalsContact O-N 3.13Å; D350-T353 PolarHBondContact O-OG1 3.26Å; T353-G394 VanDerWaalsContact CG2-O 3.3Å; T353-G394 WeakPolarHBondContact CG2-O 3.37Å; T353-G394 PolarHBondContact OG1-O 3.16Å
354	L	98.5	Very high	97.5	Very high	3 Å²	3	10.6 Å²	10.6	2%	0.016	6%	0.057	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	127.6	167.2	-61	175.5	0	0	0	108.6	V287 S462 F463 P471 V474 F475 L479	V287-L354 HydrophobicContact CG1-CD2 4.27Å; L354-S462 CarbonylContact O-C 3.59Å; L354-S462 WeakPolarHBondContact O-CA 3.27Å; L354-S462 WeakPolarHBondContact O-CB 3.3Å; L354-F463 PolarHBondContact N-O 2.84Å; L354-F463 PolarHBondContact O-N 3.34Å; L354-P471 HydrophobicContact CD1-CB 4.05Å; L354-P471 VanDerWaalsContact CD1-O 3.29Å; L354-P471 WeakPolarHBondContact CD1-O 3.35Å; L354-P471 HydrophobicContact CD2-CB 4.23Å; L354-V474 HydrophobicContact CD1-CB 4.01Å; L354-V474 HydrophobicContact CD1-CG1 3.64Å; L354-F475 HydrophobicContact CD1-CB 4.43Å; L354-F475 HydrophobicContact CD2-CB 4.31Å; L354-L479 VanDerWaalsContact C-CD1 3.47Å; L354-L479 HydrophobicContact CB-CD1 3.57Å; L354-L479 WeakPolarHBondContact O-CD1 3.38Å
355	I	98.3	Very high	97.4	Very high	0 Å²	0	9 Å²	9	0%	0	5%	0.051	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	145.4	-177	-167.9	167	0	0	0	113.1	W292 L347 L357 L360 I461 F475	W292-I355 HydrophobicContact CB-CG2 4.47Å; W292-I355 WeakPolarHBondContact CB-O 3.25Å; W292-I355 HydrophobicContact CD2-CG2 3.55Å; W292-I355 HydrophobicContact CE3-CG2 3.9Å; W292-I355 HydrophobicContact CG-CG2 3.82Å; W292-I355 HydrophobicContact CH2-CG2 4.49Å; W292-I355 HydrophobicContact CZ2-CG2 4.18Å; W292-I355 HydrophobicContact CZ3-CG2 4.38Å; L347-I355 HydrophobicContact CD1-CD1 4.01Å; L347-I355 HydrophobicContact CD2-CD1 3.81Å; I355-L357 HydrophobicContact CG2-CD2 4.2Å; I355-L360 HydrophobicContact CD1-CD2 4.2Å; I355-I461 CarbonylContact C-O 3.53Å; I355-I461 VanDerWaalsContact CA-O 3.28Å; I355-I461 WeakPolarHBondContact CA-O 3.34Å; I355-I461 HydrophobicContact CD1-CG2 4.01Å; I355-I461 HydrophobicContact CG1-CG2 3.81Å; I355-I461 WeakPolarHBondContact CG1-O 3.09Å; I355-F475 WeakPolarHBondContact O-CE2 3.42Å
356	S	97.7	Very high	97.2	Very high	1 Å²	1	8.9 Å²	8.9	1%	0.007	5%	0.051	C	C	.	.			trans	-97.4	98	172.6	-168.4	0	0	0	0	110.8	P358 R359 L360 I461 L479	S356-P358 VanDerWaalsContact C-CD 3.5Å; S356-R359 PolarHBondContact O-N 3.46Å; S356-R359 WeakPolarHBondContact OG-CD 3.03Å; S356-R359 WeakPolarHBondContact OG-CG 3.03Å; S356-L360 PolarHBondContact O-N 3.19Å; S356-I461 PolarHBondContact N-O 2.62Å; S356-L479 VanDerWaalsContact CB-O 3.25Å; S356-L479 WeakPolarHBondContact CB-O 3.5Å; S356-L479 PolarHBondContact OG-O 2.71Å
357	L	97	Very high	97.1	Very high	5 Å²	5	9.6 Å²	9.6	3%	0.026	5%	0.053	C	C	.	.	H	α-helix	trans	-60.5	-36.8	179.5	-64.5	-177.5	0	0	0	114.1	W292 Q295 A296 L347 I355 R359 L360 Q361	W292-L357 HydrophobicContact CE3-CD1 4.15Å; W292-L357 HydrophobicContact CE3-CG 4.39Å; Q295-L357 HydrophobicContact CB-CB 4.42Å; Q295-L357 HydrophobicContact CB-CD1 4.07Å; A296-L357 HydrophobicContact CB-CD1 3.7Å; L347-L357 HydrophobicContact CD2-CD2 3.84Å; I355-L357 HydrophobicContact CG2-CD2 4.2Å; L357-R359 VanDerWaalsContact C-N 3.35Å; L357-R359 PolarHBondContact O-N 2.68Å; L357-L360 HydrophobicContact CD2-CD2 4.19Å; L357-L360 WeakPolarHBondContact O-CB 3.49Å; L357-L360 PolarHBondContact O-N 3.17Å; L357-Q361 VanDerWaalsContact O-CG 3.26Å; L357-Q361 WeakPolarHBondContact O-CG 3.46Å; L357-Q361 PolarHBondContact O-N 2.87Å; L357-Q361 PolarHBondContact O-NE2 3.11Å
358	P	95.6	Very high	96.9	Very high	38 Å²	38	14.4 Å²	14.4	25%	0.247	8%	0.076	C	C	.	.	H	α-helix	trans	-69.5	-31.2	177.4	-15.9	29.1	0	0	0	113.1	S356 A362 N481	S356-P358 VanDerWaalsContact C-CD 3.5Å; P358-A362 PolarHBondContact O-N 3.22Å; P358-A362 VanDerWaalsContact O-N 3.17Å; P358-N481 WeakPolarHBondContact CB-ND2 3.45Å
359	R	95.6	Very high	96.7	Very high	29 Å²	29	16.2 Å²	16.2	11%	0.109	9%	0.089	C	C	.	.	H	α-helix	trans	-71.2	-38	172.9	-64.1	175.9	-174.1	174.1	8	111.5	S356 L357 A362 L363 P460 I461 W478 N481	S356-R359 PolarHBondContact O-N 3.46Å; S356-R359 WeakPolarHBondContact OG-CD 3.03Å; S356-R359 WeakPolarHBondContact OG-CG 3.03Å; L357-R359 VanDerWaalsContact C-N 3.35Å; L357-R359 PolarHBondContact O-N 2.68Å; R359-A362 PolarHBondContact O-N 3.17Å; R359-L363 PolarHBondContact O-N 2.89Å; R359-P460 WeakPolarHBondContact CD-O 3.28Å; R359-P460 PolarHBondContact NH1-O 3.27Å; R359-I461 HydrophobicContact CB-CG1 3.86Å; R359-W478 VanDerWaalsContact CZ-O 3.32Å; R359-W478 PolarHBondContact NH1-O 3.03Å; R359-W478 PolarHBondContact NH2-O 2.96Å; R359-W478 VanDerWaalsContact NH2-O 3.09Å; R359-N481 PolarHBondContact NE-OD1 3.26Å; R359-N481 PolarHBondContact NH2-OD1 3.39Å
360	L	96.8	Very high	96.5	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-59.8	-45	172.3	178.7	62.8	0	0	0	111.7	L347 I355 S356 L357 A362 L363 L364 L398 F442 I461	L347-L360 HydrophobicContact CD1-CD2 4.29Å; L347-L360 HydrophobicContact CD2-CD2 3.82Å; L347-L360 HydrophobicContact CG-CD2 4.47Å; I355-L360 HydrophobicContact CD1-CD2 4.2Å; S356-L360 PolarHBondContact O-N 3.19Å; L357-L360 HydrophobicContact CD2-CD2 4.19Å; L357-L360 WeakPolarHBondContact O-CB 3.49Å; L357-L360 PolarHBondContact O-N 3.17Å; L360-A362 VanDerWaalsContact C-N 3.31Å; L360-A362 PolarHBondContact O-N 2.04Å; L360-L363 PolarHBondContact O-N 3.12Å; L360-L364 HydrophobicContact CD1-CD1 4.14Å; L360-L364 HydrophobicContact CD1-CG 4.24Å; L360-L364 HydrophobicContact CG-CD1 4.01Å; L360-L364 WeakPolarHBondContact O-CB 3.42Å; L360-L364 WeakPolarHBondContact O-CG 3.32Å; L360-L364 PolarHBondContact O-N 2.67Å; L360-L398 HydrophobicContact CD1-CD1 4.34Å; L360-L398 HydrophobicContact CD1-CD2 4.3Å; L360-L398 HydrophobicContact CD2-CD1 4.26Å; L360-F442 HydrophobicContact CD1-CZ 3.81Å; L360-I461 HydrophobicContact CB-CG2 4.25Å
361	Q	96.3	Very high	96.4	Very high	27 Å²	27	22 Å²	22	13%	0.126	13%	0.125	C	C	.	.	H	α-helix	trans	-59.4	-40.9	176.3	-71.8	165	68.9	0	0	112.4	P264 V265 I267 I270 L357 L364 S365	P264-Q361 HydrophobicContact CB-CB 3.99Å; V265-Q361 PolarHBondContact N-O 3.46Å; V265-Q361 WeakPolarHBondContact O-CB 3.14Å; V265-Q361 WeakPolarHBondContact O-CG 3.42Å; V265-Q361 PolarHBondContact O-OE1 3.28Å; I267-Q361 VanDerWaalsContact CG2-CD 3.42Å; I267-Q361 VanDerWaalsContact CG2-NE2 3.31Å; I270-Q361 HydrophobicContact CD1-CG 3.71Å; L357-Q361 VanDerWaalsContact O-CG 3.26Å; L357-Q361 WeakPolarHBondContact O-CG 3.46Å; L357-Q361 PolarHBondContact O-N 2.87Å; L357-Q361 PolarHBondContact O-NE2 3.11Å; Q361-L364 PolarHBondContact O-N 3.25Å; Q361-S365 PolarHBondContact O-N 2.59Å
362	A	95.4	Very high	96.3	Very high	13 Å²	13	24 Å²	24	11%	0.107	14%	0.138	C	C	.	.	H	α-helix	trans	-65.6	-47.9	175.9	0	0	0	0	0	111.7	P259 L260 P358 R359 L360 L364 S365	P259-A362 CarbonylContact O-C 3.6Å; L260-A362 HydrophobicContact CD1-CB 3.79Å; P358-A362 PolarHBondContact O-N 3.22Å; P358-A362 VanDerWaalsContact O-N 3.17Å; R359-A362 PolarHBondContact O-N 3.17Å; L360-A362 VanDerWaalsContact C-N 3.31Å; L360-A362 PolarHBondContact O-N 2.04Å; A362-L364 PolarHBondContact O-N 3.26Å; A362-S365 PolarHBondContact O-N 2.85Å; A362-S365 VanDerWaalsContact O-N 3.17Å; A362-S365 PolarHBondContact O-OG 3.15Å
363	L	95.6	Very high	96.3	Very high	4 Å²	4	23.9 Å²	23.9	2%	0.021	14%	0.137	C	C	.	.	H	α-helix	trans	-58.1	-39.9	175.5	174.6	64	0	0	0	111.4	P259 R359 L360 S365 C366 Y367 L375 F442 I461	P259-L363 HydrophobicContact CG-CD1 3.45Å; P259-L363 VanDerWaalsContact CG-CD1 3.45Å; R359-L363 PolarHBondContact O-N 2.89Å; L360-L363 PolarHBondContact O-N 3.12Å; L363-S365 PolarHBondContact O-N 2.88Å; L363-C366 VanDerWaalsContact O-CB 3.29Å; L363-C366 WeakPolarHBondContact O-CB 3.36Å; L363-C366 PolarHBondContact O-N 3.07Å; L363-C366 VanDerWaalsContact O-N 3.11Å; L363-Y367 HydrophobicContact CD1-CE2 3.84Å; L363-Y367 HydrophobicContact CG-CE2 3.97Å; L363-L375 HydrophobicContact CD2-CD2 3.98Å; L363-F442 HydrophobicContact CD2-CE2 3.75Å; L363-I461 HydrophobicContact CB-CD1 3.8Å; L363-I461 HydrophobicContact CD2-CD1 3.31Å; L363-I461 HydrophobicContact CG-CD1 4.16Å
364	L	96.9	Very high	96.3	Very high	1 Å²	1	24 Å²	24	1%	0.005	14%	0.138	C	C	.	.	H	α-helix	trans	-67.6	-19.2	-178.1	-80.8	174	0	0	0	114.5	V265 I270 W345 L360 Q361 A362 C366 Y367 L398	V265-L364 HydrophobicContact CB-CB 4.08Å; V265-L364 HydrophobicContact CG2-CB 3.63Å; I270-L364 HydrophobicContact CD1-CD1 3.82Å; I270-L364 HydrophobicContact CG1-CD1 4.29Å; W345-L364 HydrophobicContact CB-CD1 4.48Å; W345-L364 HydrophobicContact CD2-CD1 4.17Å; W345-L364 HydrophobicContact CD2-CD2 3.83Å; W345-L364 HydrophobicContact CE3-CD2 3.84Å; W345-L364 HydrophobicContact CG-CD1 4.01Å; W345-L364 HydrophobicContact CH2-CD2 3.89Å; W345-L364 HydrophobicContact CZ2-CD2 3.87Å; W345-L364 HydrophobicContact CZ3-CD2 3.88Å; L360-L364 HydrophobicContact CD1-CD1 4.14Å; L360-L364 HydrophobicContact CD1-CG 4.24Å; L360-L364 HydrophobicContact CG-CD1 4.01Å; L360-L364 WeakPolarHBondContact O-CB 3.42Å; L360-L364 WeakPolarHBondContact O-CG 3.32Å; L360-L364 PolarHBondContact O-N 2.67Å; Q361-L364 PolarHBondContact O-N 3.25Å; A362-L364 PolarHBondContact O-N 3.26Å; L364-C366 PolarHBondContact O-N 2.62Å; L364-C366 VanDerWaalsContact O-N 3.12Å; L364-Y367 HydrophobicContact CD2-CD2 4.42Å; L364-Y367 PolarHBondContact O-N 2.94Å; L364-L398 HydrophobicContact CD1-CD1 4.23Å; L364-L398 HydrophobicContact CD1-CD2 3.88Å; L364-L398 HydrophobicContact CD2-CD2 3.2Å; L364-L398 HydrophobicContact CG-CD2 3.86Å
365	S	95.9	Very high	96.3	Very high	26 Å²	26	23.9 Å²	23.9	18%	0.182	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-9.7	173.2	77.3	0	0	0	0	113	C261 G262 E263 Q361 A362 L363	C261-S365 WeakPolarHBondContact CB-O 3.36Å; C261-S365 PolarHBondContact N-OG 3.04Å; G262-S365 PolarHBondContact N-OG 2.83Å; G262-S365 PolarHBondContact O-OG 2.84Å; E263-S365 WeakPolarHBondContact O-CB 3.22Å; Q361-S365 PolarHBondContact O-N 2.59Å; A362-S365 PolarHBondContact O-N 2.85Å; A362-S365 VanDerWaalsContact O-N 3.17Å; A362-S365 PolarHBondContact O-OG 3.15Å; L363-S365 PolarHBondContact O-N 2.88Å
366	C	95.4	Very high	96.3	Very high	2 Å²	2	23.9 Å²	23.9	1%	0.014	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.2	-16.2	175.5	-63.5	0	0	0	0	114.7	F66 C261 L363 L364	F66-C366 WeakPolarHBondContact CB-O 3.43Å; F66-C366 HydrophobicContact CD1-CB 4.29Å; F66-C366 HydrophobicContact CD2-CB 3.63Å; F66-C366 HydrophobicContact CE1-CB 4.39Å; F66-C366 HydrophobicContact CE2-CB 3.72Å; F66-C366 HydrophobicContact CG-CB 3.93Å; F66-C366 HydrophobicContact CZ-CB 4.11Å; C261-C366 VanDerWaalsContact CB-CA 3.49Å; C261-C366 HydrophobicContact CB-CB 3.76Å; C261-C366 WeakPolarHBondContact CB-SG 3.04Å; C261-C366 VanDerWaalsContact SG-CA 3.5Å; C261-C366 WeakPolarHBondContact SG-CB 3.18Å; C261-C366 CovalentContact SG-SG 2.04Å; C261-C366 PolarHBondContact SG-SG 3.21Å; L363-C366 VanDerWaalsContact O-CB 3.29Å; L363-C366 WeakPolarHBondContact O-CB 3.36Å; L363-C366 PolarHBondContact O-N 3.07Å; L363-C366 VanDerWaalsContact O-N 3.11Å; L364-C366 PolarHBondContact O-N 2.62Å; L364-C366 VanDerWaalsContact O-N 3.12Å
367	Y	96.5	Very high	96.3	Very high	14 Å²	14	24.6 Å²	24.6	6%	0.055	14%	0.14	C	C	.	.	S	Bend	trans	-113.1	144.4	-174.4	-60.3	-84.7	0	0	0	111.7	F66 H67 L363 L364 L373 L375 T437	F66-Y367 HydrophobicContact CB-CD1 4.24Å; F66-Y367 HydrophobicContact CB-CE1 4.15Å; F66-Y367 AromaticContact CD1-CE1 3.92Å; F66-Y367 HydrophobicContact CD1-CE1 3.92Å; F66-Y367 HydrophobicContact CD1-CE2 4.48Å; F66-Y367 AromaticContact CD1-CZ 3.8Å; F66-Y367 HydrophobicContact CG-CE1 4.42Å; H67-Y367 AromaticContact CD2-CE1 3.99Å; H67-Y367 AromaticContact NE2-CZ 3.88Å; H67-Y367 PolarHBondContact NE2-OH 3.29Å; L363-Y367 HydrophobicContact CD1-CE2 3.84Å; L363-Y367 HydrophobicContact CG-CE2 3.97Å; L364-Y367 HydrophobicContact CD2-CD2 4.42Å; L364-Y367 PolarHBondContact O-N 2.94Å; Y367-L373 HydrophobicContact CD1-CD1 3.93Å; Y367-L373 HydrophobicContact CD1-CD2 3.74Å; Y367-L373 HydrophobicContact CD2-CD2 4.26Å; Y367-L373 HydrophobicContact CE1-CD1 4.15Å; Y367-L373 HydrophobicContact CE1-CD2 4.39Å; Y367-L373 HydrophobicContact CG-CD2 3.67Å; Y367-L375 HydrophobicContact CE1-CD1 4.35Å; Y367-L375 HydrophobicContact CE2-CD1 4.17Å; Y367-L375 HydrophobicContact CE2-CD2 4.11Å; Y367-L375 WeakPolarHBondContact OH-CD1 3.4Å; Y367-T437 HydrophobicContact CE1-CG2 4.15Å
368	E	94	Very high	96.4	Very high	101 Å²	101	25.8 Å²	25.8	47%	0.472	15%	0.145	S	C	.	.			trans	-85.4	123.3	174	-61.5	-63.2	161.7	0	0	109.6	S370 E371	E368-S370 PolarHBondContact O-N 3.35Å; E368-E371 HydrophobicContact CB-CG 4.06Å; E368-E371 PolarHBondContact O-N 3.01Å; E368-E371 VanDerWaalsContact O-N 3.16Å
369	S	94.4	Very high	96.5	Very high	39 Å²	39	24.9 Å²	24.9	27%	0.273	14%	0.136	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.6	-13.9	-179.6	60	0	0	0	0	114
370	S	94.9	Very high	96.5	Very high	89 Å²	89	23.5 Å²	23.5	62%	0.622	13%	0.131	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.1	-17.2	174.4	57.6	0	0	0	0	113.3	E368	E368-S370 PolarHBondContact O-N 3.35Å
371	E	95.1	Very high	96.5	Very high	59 Å²	59	27.5 Å²	27.5	28%	0.276	15%	0.147	S	C	.	.	S	Bend	trans	-81.6	142.3	172.6	-67.2	179.4	-169.6	0	0	109.7	S65 E368 L373 S400	S65-E371 VanDerWaalsContact CB-OE1 3.24Å; S65-E371 WeakPolarHBondContact CB-OE1 3.27Å; S65-E371 PolarHBondContact OG-OE1 2.98Å; S65-E371 PolarHBondContact OG-OE2 2.87Å; E368-E371 HydrophobicContact CB-CG 4.06Å; E368-E371 PolarHBondContact O-N 3.01Å; E368-E371 VanDerWaalsContact O-N 3.16Å; E371-L373 PolarHBondContact O-N 2.91Å; E371-S400 VanDerWaalsContact O-CB 3.3Å; E371-S400 WeakPolarHBondContact O-CB 3.38Å; E371-S400 PolarHBondContact O-OG 3.17Å
372	P	96.8	Very high	96.3	Very high	47 Å²	47	26.9 Å²	26.9	31%	0.305	15%	0.147	S	C	.	.			trans	-68	103.2	170.5	28.5	-33.1	0	0	0	109.4	E402 A403 V434	P372-E402 HydrophobicContact CB-CG 4.29Å; P372-A403 HydrophobicContact CB-CB 4.29Å; P372-V434 HydrophobicContact CB-CG1 3.99Å; P372-V434 HydrophobicContact CB-CG2 4.26Å; P372-V434 HydrophobicContact CG-CG1 4.47Å; P372-V434 HydrophobicContact CG-CG2 4.44Å
373	L	97.7	Very high	96.1	Very high	4 Å²	4	26.5 Å²	26.5	2%	0.021	14%	0.144	C	C	.	.			trans	-115.3	130.1	-179.5	-174.8	71.6	0	0	0	110.4	W345 Y367 E371 L375 F399 S400 A403 T437	W345-L373 HydrophobicContact CH2-CD2 4.05Å; W345-L373 HydrophobicContact CZ3-CB 4.38Å; W345-L373 HydrophobicContact CZ3-CD2 3.67Å; Y367-L373 HydrophobicContact CD1-CD1 3.93Å; Y367-L373 HydrophobicContact CD1-CD2 3.74Å; Y367-L373 HydrophobicContact CD2-CD2 4.26Å; Y367-L373 HydrophobicContact CE1-CD1 4.15Å; Y367-L373 HydrophobicContact CE1-CD2 4.39Å; Y367-L373 HydrophobicContact CG-CD2 3.67Å; E371-L373 PolarHBondContact O-N 2.91Å; L373-L375 HydrophobicContact CD1-CB 4.45Å; L373-L375 HydrophobicContact CD2-CB 4.08Å; L373-L375 HydrophobicContact CG-CB 4.07Å; L373-F399 CarbonylContact O-C 3.57Å; L373-F399 VanDerWaalsContact O-CA 3.3Å; L373-F399 WeakPolarHBondContact O-CA 3.4Å; L373-S400 PolarHBondContact N-OG 2.83Å; L373-S400 PolarHBondContact O-N 3.11Å; L373-A403 VanDerWaalsContact O-CB 3.28Å; L373-A403 WeakPolarHBondContact O-CB 3.21Å; L373-T437 HydrophobicContact CD1-CG2 4.35Å; L373-T437 WeakPolarHBondContact CD1-OG1 3.36Å
374	C	98.2	Very high	95.6	Very high	2 Å²	2	28.2 Å²	28.2	1%	0.014	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	114.1	162.5	-179.6	0	0	0	0	107.3	I391 L398 F399 L429 T437	C374-I391 VanDerWaalsContact SG-CG1 3.54Å; C374-L398 CarbonylContact C-O 3.33Å; C374-L398 WeakPolarHBondContact CA-O 3.26Å; C374-F399 HydrophobicContact CB-CD1 4.14Å; C374-F399 HydrophobicContact CB-CE1 4.15Å; C374-F399 WeakPolarHBondContact SG-CE1 3.41Å; C374-L429 HydrophobicContact CB-CD1 3.7Å; C374-L429 VanDerWaalsContact SG-CD1 3.57Å; C374-T437 PolarHBondContact O-N 3.15Å
375	L	98.4	Very high	95	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	137.4	-167.5	176.7	84.5	0	0	0	111.2	L363 Y367 L373 L398 T437 F442	L363-L375 HydrophobicContact CD2-CD2 3.98Å; Y367-L375 HydrophobicContact CE1-CD1 4.35Å; Y367-L375 HydrophobicContact CE2-CD1 4.17Å; Y367-L375 HydrophobicContact CE2-CD2 4.11Å; Y367-L375 WeakPolarHBondContact OH-CD1 3.4Å; L373-L375 HydrophobicContact CD1-CB 4.45Å; L373-L375 HydrophobicContact CD2-CB 4.08Å; L373-L375 HydrophobicContact CG-CB 4.07Å; L375-L398 HydrophobicContact CB-CB 4.22Å; L375-L398 HydrophobicContact CB-CD2 4.37Å; L375-L398 HydrophobicContact CD2-CD2 3.7Å; L375-L398 PolarHBondContact N-O 2.82Å; L375-L398 PolarHBondContact O-N 3.35Å; L375-T437 WeakPolarHBondContact CA-O 3.28Å; L375-T437 HydrophobicContact CD1-CG2 3.51Å; L375-F442 HydrophobicContact CD2-CE2 4.3Å; L375-F442 HydrophobicContact CD2-CZ 4.38Å
376	G	98.5	Very high	94.4	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	165.2	-151.4	168.6	0	0	0	0	0	111.7	I391 T437 H438 S439	G376-I391 VanDerWaalsContact CA-CG2 3.49Å; G376-T437 PolarHBondContact N-O 2.03Å; G376-T437 VanDerWaalsContact N-O 3.15Å; G376-H438 CarbonylContact O-C 3.44Å; G376-H438 WeakPolarHBondContact O-CA 3.3Å; G376-S439 PolarHBondContact O-N 2.76Å
377	E	98.3	Very high	94.3	Very high	16 Å²	16	37.3 Å²	37.3	8%	0.075	22%	0.223	C	C	.	.			trans	-78.2	124.9	171.6	-170.8	177.8	-174.3	0	0	109.8	Y379 I391 T392 F442 H443 Q444	E377-Y379 HydrophobicContact CG-CD1 4.48Å; E377-Y379 HydrophobicContact CG-CE1 4Å; E377-I391 CarbonylContact O-C 3.59Å; E377-I391 VanDerWaalsContact O-CA 3.32Å; E377-I391 WeakPolarHBondContact O-CA 3.42Å; E377-T392 PolarHBondContact O-N 3.21Å; E377-F442 HydrophobicContact CB-CB 4.11Å; E377-H443 VanDerWaalsContact OE2-CA 3.29Å; E377-H443 WeakPolarHBondContact OE2-CA 2.96Å; E377-Q444 WeakPolarHBondContact OE2-CA 3.36Å; E377-Q444 WeakPolarHBondContact OE2-CB 3.31Å; E377-Q444 PolarHBondContact OE2-N 3.14Å
378	R	98.2	Very high	94.2	Very high	30 Å²	30	37.7 Å²	37.7	11%	0.113	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	124.3	-172.7	174.4	177.8	66.9	-154.4	-2.2	109.6	W105 Y390 I391 V436 H438	W105-R378 VanDerWaalsContact CD2-NE 3.35Å; W105-R378 VanDerWaalsContact CE2-NE 3.32Å; W105-R378 VanDerWaalsContact CE3-NH2 3.29Å; W105-R378 HydrophobicContact CH2-CG 4.27Å; W105-R378 HydrophobicContact CZ2-CG 3.89Å; R378-Y390 CarbonylContact C-O 3.54Å; R378-Y390 WeakPolarHBondContact CA-O 3.44Å; R378-I391 HydrophobicContact CB-CD1 4.09Å; R378-V436 HydrophobicContact CB-CG2 4.41Å; R378-V436 HydrophobicContact CG-CG2 3.7Å; R378-H438 HydrophobicContact CB-CB 3.64Å; R378-H438 PolarHBondContact N-ND1 2.96Å; R378-H438 VanDerWaalsContact N-ND1 3.19Å
379	Y	97.7	Very high	94.3	Very high	19 Å²	19	33 Å²	33	8%	0.075	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	160.6	164.4	-72.9	3.1	0	0	0	110.6	T211 I212 E377 S389 Y390 T392 Q444	T211-Y379 CarbonylContact O-C 3.45Å; T211-Y379 VanDerWaalsContact O-CA 3.23Å; T211-Y379 WeakPolarHBondContact O-CA 2.93Å; T211-Y379 WeakPolarHBondContact O-CB 3.49Å; I212-Y379 HydrophobicContact CB-CE1 4.42Å; I212-Y379 HydrophobicContact CB-CE2 4.24Å; I212-Y379 HydrophobicContact CD1-CE2 4.46Å; I212-Y379 HydrophobicContact CG1-CD2 4.01Å; I212-Y379 HydrophobicContact CG1-CE2 3.98Å; I212-Y379 HydrophobicContact CG2-CE1 4Å; I212-Y379 HydrophobicContact CG2-CE2 3.81Å; I212-Y379 WeakPolarHBondContact O-CE1 3.32Å; E377-Y379 HydrophobicContact CG-CD1 4.48Å; E377-Y379 HydrophobicContact CG-CE1 4Å; Y379-S389 CarbonylContact O-C 3.54Å; Y379-S389 WeakPolarHBondContact O-CA 3.45Å; Y379-Y390 VanDerWaalsContact CB-CZ 3.46Å; Y379-Y390 HydrophobicContact CD2-CE2 4.3Å; Y379-Y390 HydrophobicContact CG-CE2 4.47Å; Y379-Y390 PolarHBondContact N-O 3.1Å; Y379-Y390 PolarHBondContact O-N 3.45Å; Y379-T392 HydrophobicContact CD1-CG2 3.68Å; Y379-T392 HydrophobicContact CD2-CG2 3.42Å; Y379-T392 VanDerWaalsContact CD2-CG2 3.42Å; Y379-T392 HydrophobicContact CE1-CG2 3.79Å; Y379-T392 HydrophobicContact CE2-CG2 3.55Å; Y379-T392 HydrophobicContact CG-CG2 3.46Å; Y379-T392 VanDerWaalsContact CG-CG2 3.46Å; Y379-Q444 HydrophobicContact CE2-CG 4.34Å
380	G	96.6	Very high	94.5	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	146.1	174.5	0	0	0	0	0	111.5	F210 T211	F210-G380 CarbonylContact C-O 3.53Å; F210-G380 VanDerWaalsContact CA-O 3.3Å; F210-G380 WeakPolarHBondContact CA-O 3.19Å; T211-G380 PolarHBondContact N-O 3.44Å; T211-G380 PolarHBondContact O-N 3.39Å
381	Y	95.6	Very high	94.7	Very high	85 Å²	85	27.8 Å²	27.8	33%	0.333	16%	0.164	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	122.2	167.4	179.1	-106.4	0	0	0	109.7	D209 F210 L383 G387 Y388 M423	D209-Y381 HydrophobicContact CB-CE2 4.34Å; D209-Y381 CarbonylContact O-C 3.58Å; D209-Y381 WeakPolarHBondContact O-CA 3.44Å; D209-Y381 VanDerWaalsContact O-CD2 3.25Å; D209-Y381 WeakPolarHBondContact O-CD2 3.17Å; F210-Y381 HydrophobicContact CD1-CD2 4.03Å; F210-Y381 AromaticContact CE1-CD2 3.61Å; F210-Y381 HydrophobicContact CE1-CD2 3.61Å; F210-Y381 HydrophobicContact CE1-CE2 4.23Å; F210-Y381 HydrophobicContact CE2-CD2 4.29Å; F210-Y381 HydrophobicContact CE2-CE2 4.26Å; F210-Y381 AromaticContact CZ-CD2 3.75Å; F210-Y381 HydrophobicContact CZ-CD2 3.75Å; F210-Y381 AromaticContact CZ-CE2 3.89Å; F210-Y381 HydrophobicContact CZ-CE2 3.89Å; Y381-L383 VanDerWaalsContact C-N 3.28Å; Y381-L383 PolarHBondContact O-N 3.15Å; Y381-G387 CarbonylContact O-C 2.65Å; Y381-G387 WeakPolarHBondContact O-CA 3.28Å; Y381-Y388 HydrophobicContact CD1-CD1 4.45Å; Y381-Y388 AromaticContact CD1-CE1 3.78Å; Y381-Y388 HydrophobicContact CD1-CE1 3.78Å; Y381-Y388 AromaticContact CD1-CZ 3.98Å; Y381-Y388 HydrophobicContact CE1-CE1 4.5Å; Y381-Y388 PolarHBondContact N-O 3.31Å; Y381-Y388 PolarHBondContact O-N 3.33Å; Y381-M423 HydrophobicContact CD1-CE 4.08Å; Y381-M423 HydrophobicContact CD2-CE 3.55Å; Y381-M423 HydrophobicContact CE1-CE 4.46Å; Y381-M423 HydrophobicContact CE2-CE 3.97Å; Y381-M423 HydrophobicContact CG-CE 3.6Å
382	G	93.4	Very high	94.8	Very high	13 Å²	13	25 Å²	25	13%	0.134	15%	0.151	C	C	.	.	S	Bend	trans	61.3	29.2	174.8	0	0	0	0	0	114.8	D209 G384 Q385 G387	D209-G382 PolarHBondContact O-N 3.17Å; G382-G384 PolarHBondContact O-N 3.37Å; G382-G384 VanDerWaalsContact O-N 3.14Å; G382-Q385 CarbonylContact O-C 3.56Å; G382-Q385 PolarHBondContact O-N 3.02Å; G382-G387 VanDerWaalsContact O-CA 3.32Å; G382-G387 WeakPolarHBondContact O-CA 3.24Å; G382-G387 PolarHBondContact O-N 3.08Å
383	L	90.8	Very high	94.8	Very high	6 Å²	6	22.9 Å²	22.9	3%	0.031	14%	0.138	C	C	.	.	G	3₁₀ helix	trans	-59.5	-28.1	-170.8	-69.8	-175.3	0	0	0	114.4	E102 W105 Y381 Q385	E102-L383 HydrophobicContact CG-CD2 4.42Å; W105-L383 HydrophobicContact CD2-CD1 4.46Å; W105-L383 HydrophobicContact CH2-CD1 4.44Å; W105-L383 HydrophobicContact CZ2-CD1 3.56Å; Y381-L383 VanDerWaalsContact C-N 3.28Å; Y381-L383 PolarHBondContact O-N 3.15Å; L383-Q385 VanDerWaalsContact C-N 3.25Å; L383-Q385 PolarHBondContact O-N 3.18Å
384	G	83.8	Confident	94.8	Very high	39 Å²	39	22.8 Å²	22.8	40%	0.402	14%	0.138	S	C	.	.	G	3₁₀ helix	trans	-74.9	-10.2	175.2	0	0	0	0	0	114.7	G382	G382-G384 PolarHBondContact O-N 3.37Å; G382-G384 VanDerWaalsContact O-N 3.14Å
385	Q	85	Confident	94.7	Very high	140 Å²	140	22.7 Å²	22.7	65%	0.654	14%	0.137	S	C	*	.	G	3₁₀ helix	trans	-131.1	25.9	-169.3	-59	178	31.8	0	0	112.3	L206 G382 L383	L206-Q385 PolarHBondContact O-NE2 3.12Å; G382-Q385 CarbonylContact O-C 3.56Å; G382-Q385 PolarHBondContact O-N 3.02Å; L383-Q385 VanDerWaalsContact C-N 3.25Å; L383-Q385 PolarHBondContact O-N 3.18Å
386	G	84	Confident	94.7	Very high	65 Å²	65	22.7 Å²	22.7	67%	0.67	14%	0.137	S	C	*	.	T	Hydrogen-bonded Turn	trans	79.6	25	-179.6	0	0	0	0	0	114.1
387	G	91.5	Very high	94.7	Very high	15 Å²	15	22.8 Å²	22.8	16%	0.155	14%	0.137	C	C	.	.			trans	-72.8	-153.2	173.4	0	0	0	0	0	113.4	Y381 G382	Y381-G387 CarbonylContact O-C 2.65Å; Y381-G387 WeakPolarHBondContact O-CA 3.28Å; G382-G387 VanDerWaalsContact O-CA 3.32Å; G382-G387 WeakPolarHBondContact O-CA 3.24Å; G382-G387 PolarHBondContact O-N 3.08Å
388	Y	94.9	Very high	94.8	Very high	22 Å²	22	22 Å²	22	9%	0.086	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150	161.5	-169.8	58.7	-92.3	0	0	0	113.1	Y381 Y390 M423 M427	Y381-Y388 HydrophobicContact CD1-CD1 4.45Å; Y381-Y388 AromaticContact CD1-CE1 3.78Å; Y381-Y388 HydrophobicContact CD1-CE1 3.78Å; Y381-Y388 AromaticContact CD1-CZ 3.98Å; Y381-Y388 HydrophobicContact CE1-CE1 4.5Å; Y381-Y388 PolarHBondContact N-O 3.31Å; Y381-Y388 PolarHBondContact O-N 3.33Å; Y388-Y390 HydrophobicContact CE2-CD1 4.44Å; Y388-M423 WeakPolarHBondContact CE2-O 3.42Å; Y388-M423 PolarHBondContact OH-O 3.27Å; Y388-M427 HydrophobicContact CD1-CB 4.42Å; Y388-M427 HydrophobicContact CD2-CB 4.43Å; Y388-M427 HydrophobicContact CE1-CB 3.99Å; Y388-M427 HydrophobicContact CE1-CE 4.01Å; Y388-M427 HydrophobicContact CE1-CG 4.21Å; Y388-M427 HydrophobicContact CE2-CB 4.02Å
389	S	97	Very high	94.8	Very high	4 Å²	4	20.7 Å²	20.7	3%	0.028	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	151.3	173.7	-55.5	0	0	0	0	111.5	E102 W105 Y379 G426	E102-S389 VanDerWaalsContact CG-OG 3.32Å; E102-S389 WeakPolarHBondContact CG-OG 3.36Å; E102-S389 VanDerWaalsContact OE1-CB 3.24Å; E102-S389 WeakPolarHBondContact OE1-CB 3.2Å; E102-S389 PolarHBondContact OE1-OG 3.41Å; W105-S389 PolarHBondContact NE1-OG 2.77Å; Y379-S389 CarbonylContact O-C 3.54Å; Y379-S389 WeakPolarHBondContact O-CA 3.45Å; S389-G426 VanDerWaalsContact O-CA 3.28Å; S389-G426 WeakPolarHBondContact O-CA 3.49Å
390	Y	97.8	Very high	94.8	Very high	13 Å²	13	19.8 Å²	19.8	5%	0.051	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143	155.7	173.6	62.3	-84	0	0	0	111.2	R378 Y379 Y388 T392 D422 M423	R378-Y390 CarbonylContact C-O 3.54Å; R378-Y390 WeakPolarHBondContact CA-O 3.44Å; Y379-Y390 VanDerWaalsContact CB-CZ 3.46Å; Y379-Y390 HydrophobicContact CD2-CE2 4.3Å; Y379-Y390 HydrophobicContact CG-CE2 4.47Å; Y379-Y390 PolarHBondContact N-O 3.1Å; Y379-Y390 PolarHBondContact O-N 3.45Å; Y388-Y390 HydrophobicContact CE2-CD1 4.44Å; Y390-T392 HydrophobicContact CE2-CG2 4.46Å; Y390-D422 WeakPolarHBondContact CB-O 3.32Å; Y390-D422 HydrophobicContact CD2-CB 3.91Å; Y390-D422 HydrophobicContact CE2-CB 4.47Å; Y390-M423 HydrophobicContact CD1-CG 4.41Å; Y390-M423 HydrophobicContact CD2-CG 4.38Å; Y390-M423 HydrophobicContact CE1-CG 4.22Å; Y390-M423 HydrophobicContact CE2-CG 4.15Å; Y390-M423 HydrophobicContact CG-CG 4.48Å
391	I	98.5	Very high	94.9	Very high	4 Å²	4	21.4 Å²	21.4	2%	0.021	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	126	171.8	-59	-53.3	0	0	0	108.5	C374 G376 E377 R378 M397 D422 V436	C374-I391 VanDerWaalsContact SG-CG1 3.54Å; G376-I391 VanDerWaalsContact CA-CG2 3.49Å; E377-I391 CarbonylContact O-C 3.59Å; E377-I391 VanDerWaalsContact O-CA 3.32Å; E377-I391 WeakPolarHBondContact O-CA 3.42Å; R378-I391 HydrophobicContact CB-CD1 4.09Å; I391-M397 HydrophobicContact CB-CG 4.26Å; I391-M397 HydrophobicContact CG2-CB 4.34Å; I391-M397 HydrophobicContact CG2-CG 3.85Å; I391-D422 VanDerWaalsContact O-CB 3.22Å; I391-D422 WeakPolarHBondContact O-CB 3.41Å; I391-V436 HydrophobicContact CD1-CB 3.78Å; I391-V436 HydrophobicContact CD1-CG2 4Å; I391-V436 HydrophobicContact CG1-CB 3.95Å; I391-V436 HydrophobicContact CG1-CG1 4.37Å
392	T	98.1	Very high	95	Very high	1 Å²	1	20.8 Å²	20.8	1%	0.006	13%	0.132	C	C	.	.			trans	-61.8	139.3	179.7	66.4	0	0	0	0	111.9	E377 Y379 Y390 M397 Q444	E377-T392 PolarHBondContact O-N 3.21Å; Y379-T392 HydrophobicContact CD1-CG2 3.68Å; Y379-T392 HydrophobicContact CD2-CG2 3.42Å; Y379-T392 VanDerWaalsContact CD2-CG2 3.42Å; Y379-T392 HydrophobicContact CE1-CG2 3.79Å; Y379-T392 HydrophobicContact CE2-CG2 3.55Å; Y379-T392 HydrophobicContact CG-CG2 3.46Å; Y379-T392 VanDerWaalsContact CG-CG2 3.46Å; Y390-T392 HydrophobicContact CE2-CG2 4.46Å; T392-M397 WeakPolarHBondContact O-CG 3.39Å; T392-Q444 HydrophobicContact CG2-CB 4.32Å; T392-Q444 HydrophobicContact CG2-CG 4.15Å; T392-Q444 PolarHBondContact OG1-OE1 2.97Å; T392-Q444 VanDerWaalsContact OG1-OE1 3.14Å
393	G	97	Very high	95.2	Very high	3 Å²	3	20.2 Å²	20.2	3%	0.031	13%	0.126	C	C	.	.	S	Bend	trans	-69.6	-41.2	-177	0	0	0	0	0	114.4	G396	G393-G396 PolarHBondContact O-N 3.04Å; G393-G396 VanDerWaalsContact O-N 3.15Å
394	G	96.8	Very high	95.5	Very high	1 Å²	1	19.9 Å²	19.9	1%	0.01	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.3	-34.9	-173.1	0	0	0	0	0	113.3	T353 G396 Q444 H464	T353-G394 VanDerWaalsContact CG2-O 3.3Å; T353-G394 WeakPolarHBondContact CG2-O 3.37Å; T353-G394 PolarHBondContact OG1-O 3.16Å; G394-G396 PolarHBondContact O-N 2.52Å; G394-Q444 VanDerWaalsContact C-OE1 3.28Å; G394-H464 WeakPolarHBondContact O-CB 3.46Å
395	G	97.6	Very high	96.2	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	12%	0.119	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-18.4	171	0	0	0	0	0	112.8	F442 H443 S462	G395-F442 WeakPolarHBondContact O-CD1 3.37Å; G395-H443 WeakPolarHBondContact CA-O 3.43Å; G395-S462 VanDerWaalsContact O-CB 3.23Å; G395-S462 WeakPolarHBondContact O-CB 3.49Å; G395-S462 PolarHBondContact O-OG 2.86Å
396	G	98.5	Very high	96.8	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	10%	0.102	C	C	.	.			trans	96.5	129.9	-176	0	0	0	0	0	111.5	G393 G394 F442	G393-G396 PolarHBondContact O-N 3.04Å; G393-G396 VanDerWaalsContact O-N 3.15Å; G394-G396 PolarHBondContact O-N 2.52Å; G396-F442 WeakPolarHBondContact O-CD1 3.25Å
397	M	98.7	Very high	97.4	Very high	2 Å²	2	13.6 Å²	13.6	1%	0.01	7%	0.07	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	123.4	-180	-61.6	175.3	-73.6	0	0	109.7	T328 I348 I391 T392 F399 D422 L425	T328-M397 HydrophobicContact CG2-CE 4.48Å; I348-M397 HydrophobicContact CB-CE 4.23Å; I348-M397 HydrophobicContact CG2-CE 4.08Å; I348-M397 PolarHBondContact N-O 3.33Å; I348-M397 PolarHBondContact O-N 2.88Å; I391-M397 HydrophobicContact CB-CG 4.26Å; I391-M397 HydrophobicContact CG2-CB 4.34Å; I391-M397 HydrophobicContact CG2-CG 3.85Å; T392-M397 WeakPolarHBondContact O-CG 3.39Å; M397-F399 HydrophobicContact CB-CD2 4.44Å; M397-F399 HydrophobicContact CB-CE2 3.48Å; M397-F399 VanDerWaalsContact CB-CE2 3.48Å; M397-F399 HydrophobicContact CB-CZ 3.83Å; M397-F399 HydrophobicContact SD-CZ 4.24Å; M397-D422 HydrophobicContact SD-CB 4.44Å; M397-L425 HydrophobicContact SD-CD1 3.97Å
398	L	98.7	Very high	97.7	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	7%	0.073	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	134.1	175	-170.9	87.5	0	0	0	110.6	W345 L346 L347 L360 L364 C374 L375	W345-L398 HydrophobicContact CB-CD1 4.46Å; W345-L398 HydrophobicContact CE3-CD2 4.18Å; L346-L398 CarbonylContact O-C 3.5Å; L346-L398 WeakPolarHBondContact O-CA 3.47Å; L347-L398 HydrophobicContact CB-CD1 3.95Å; L347-L398 HydrophobicContact CD1-CD1 4.23Å; L360-L398 HydrophobicContact CD1-CD1 4.34Å; L360-L398 HydrophobicContact CD1-CD2 4.3Å; L360-L398 HydrophobicContact CD2-CD1 4.26Å; L364-L398 HydrophobicContact CD1-CD1 4.23Å; L364-L398 HydrophobicContact CD1-CD2 3.88Å; L364-L398 HydrophobicContact CD2-CD2 3.2Å; L364-L398 HydrophobicContact CG-CD2 3.86Å; C374-L398 CarbonylContact C-O 3.33Å; C374-L398 WeakPolarHBondContact CA-O 3.26Å; L375-L398 HydrophobicContact CB-CB 4.22Å; L375-L398 HydrophobicContact CB-CD2 4.37Å; L375-L398 HydrophobicContact CD2-CD2 3.7Å; L375-L398 PolarHBondContact N-O 2.82Å; L375-L398 PolarHBondContact O-N 3.35Å
399	F	98.6	Very high	97.8	Very high	2 Å²	2	18.4 Å²	18.4	1%	0.009	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	138.9	176.6	-55.5	-92.2	0	0	0	110.8	W345 L346 I348 L373 C374 M397 V404 L425	W345-F399 WeakPolarHBondContact CA-O 3.12Å; L346-F399 HydrophobicContact CB-CB 4.36Å; L346-F399 HydrophobicContact CD2-CD2 4.36Å; L346-F399 HydrophobicContact CG-CD2 4.47Å; L346-F399 PolarHBondContact N-O 3.13Å; L346-F399 PolarHBondContact O-N 3.13Å; I348-F399 HydrophobicContact CD1-CD2 4.38Å; I348-F399 HydrophobicContact CD1-CE2 3.96Å; I348-F399 HydrophobicContact CG1-CD2 4.46Å; I348-F399 HydrophobicContact CG1-CE2 4.25Å; L373-F399 CarbonylContact O-C 3.57Å; L373-F399 VanDerWaalsContact O-CA 3.3Å; L373-F399 WeakPolarHBondContact O-CA 3.4Å; C374-F399 HydrophobicContact CB-CD1 4.14Å; C374-F399 HydrophobicContact CB-CE1 4.15Å; C374-F399 WeakPolarHBondContact SG-CE1 3.41Å; M397-F399 HydrophobicContact CB-CD2 4.44Å; M397-F399 HydrophobicContact CB-CE2 3.48Å; M397-F399 VanDerWaalsContact CB-CE2 3.48Å; M397-F399 HydrophobicContact CB-CZ 3.83Å; M397-F399 HydrophobicContact SD-CZ 4.24Å; F399-V404 HydrophobicContact CB-CG2 3.64Å; F399-V404 HydrophobicContact CG-CG2 4.23Å; F399-L425 HydrophobicContact CZ-CD1 3.99Å
400	S	98.4	Very high	97.8	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70	153.6	158.7	71	0	0	0	0	109.7	E371 L373 E402 A403 V404	E371-S400 VanDerWaalsContact O-CB 3.3Å; E371-S400 WeakPolarHBondContact O-CB 3.38Å; E371-S400 PolarHBondContact O-OG 3.17Å; L373-S400 PolarHBondContact N-OG 2.83Å; L373-S400 PolarHBondContact O-N 3.11Å; S400-E402 PolarHBondContact O-N 3.25Å; S400-A403 WeakPolarHBondContact O-CB 3.33Å; S400-A403 PolarHBondContact O-N 2.79Å; S400-A403 VanDerWaalsContact O-N 3.13Å; S400-A403 PolarHBondContact OG-N 2.96Å; S400-V404 PolarHBondContact O-N 2.7Å
401	R	98	Very high	97.6	Very high	35 Å²	35	22.5 Å²	22.5	13%	0.132	14%	0.139	C	C	.	.	H	α-helix	trans	-57.6	-37.4	175.1	179.3	170.2	-68.4	-81.1	-6.1	112	F335 L336 T343 D344 A403 V404 V405	F335-R401 HydrophobicContact CE1-CB 3.99Å; F335-R401 HydrophobicContact CE1-CG 4Å; F335-R401 HydrophobicContact CZ-CB 4.15Å; F335-R401 HydrophobicContact CZ-CG 4.45Å; F335-R401 VanDerWaalsContact CZ-CZ 3.48Å; F335-R401 PolarHBondContact O-NH1 2.84Å; F335-R401 PolarHBondContact O-NH2 3.16Å; L336-R401 HydrophobicContact CD2-CG 4.13Å; L336-R401 VanDerWaalsContact CD2-NH1 3.32Å; T343-R401 VanDerWaalsContact O-CZ 3.31Å; T343-R401 PolarHBondContact O-NE 3.35Å; T343-R401 PolarHBondContact O-NH2 3.01Å; T343-R401 VanDerWaalsContact O-NH2 3.11Å; D344-R401 PolarHBondContact O-N 3.29Å; R401-A403 PolarHBondContact O-N 2.83Å; R401-V404 PolarHBondContact O-N 2.76Å; R401-V405 HydrophobicContact CG-CG2 4.36Å; R401-V405 WeakPolarHBondContact O-CG2 3.24Å; R401-V405 PolarHBondContact O-N 3.37Å
402	E	97.2	Very high	97.5	Very high	71 Å²	71	23.1 Å²	23.1	33%	0.332	14%	0.144	S	C	.	.	H	α-helix	trans	-61	-42.6	176.8	-176.5	56.5	-153.8	0	0	111.9	P372 S400 V404 V405 Q406	P372-E402 HydrophobicContact CB-CG 4.29Å; S400-E402 PolarHBondContact O-N 3.25Å; E402-V404 VanDerWaalsContact C-N 3.32Å; E402-V404 PolarHBondContact O-N 2.9Å; E402-V405 PolarHBondContact O-N 3.36Å; E402-Q406 WeakPolarHBondContact O-CG 3.14Å; E402-Q406 PolarHBondContact O-N 3.5Å; E402-Q406 WeakPolarHBondContact OE1-CG 3.28Å; E402-Q406 PolarHBondContact OE1-NE2 3.09Å
403	A	97.8	Very high	97.3	Very high	1 Å²	1	27.5 Å²	27.5	1%	0.008	17%	0.167	C	C	.	.	H	α-helix	trans	-60	-42.1	175.9	0	0	0	0	0	112.2	P372 L373 S400 R401 Q406 L407	P372-A403 HydrophobicContact CB-CB 4.29Å; L373-A403 VanDerWaalsContact O-CB 3.28Å; L373-A403 WeakPolarHBondContact O-CB 3.21Å; S400-A403 WeakPolarHBondContact O-CB 3.33Å; S400-A403 PolarHBondContact O-N 2.79Å; S400-A403 VanDerWaalsContact O-N 3.13Å; S400-A403 PolarHBondContact OG-N 2.96Å; R401-A403 PolarHBondContact O-N 2.83Å; A403-Q406 PolarHBondContact O-N 3.12Å; A403-L407 VanDerWaalsContact O-CB 3.22Å; A403-L407 WeakPolarHBondContact O-CB 3.22Å; A403-L407 PolarHBondContact O-N 2.78Å
404	V	98	Very high	97.3	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-66.8	-39.2	177.9	-175.7	0	0	0	0	111.4	L332 F335 L336 L346 F399 S400 R401 E402 L408	L332-V404 HydrophobicContact CB-CG1 4Å; L332-V404 HydrophobicContact CD2-CB 4.46Å; L332-V404 HydrophobicContact CD2-CG1 3.8Å; L332-V404 HydrophobicContact CD2-CG2 3.9Å; L332-V404 HydrophobicContact CG-CG1 4.47Å; F335-V404 HydrophobicContact CD1-CB 4.16Å; F335-V404 HydrophobicContact CD1-CG1 4.03Å; F335-V404 HydrophobicContact CD1-CG2 4.05Å; F335-V404 HydrophobicContact CE1-CB 4.3Å; F335-V404 HydrophobicContact CE1-CG2 4.07Å; L336-V404 HydrophobicContact CD1-CG1 4.12Å; L336-V404 HydrophobicContact CD2-CB 4.3Å; L336-V404 HydrophobicContact CD2-CG1 4.04Å; L336-V404 HydrophobicContact CG-CG1 3.88Å; L346-V404 HydrophobicContact CD2-CG2 4.04Å; F399-V404 HydrophobicContact CB-CG2 3.64Å; F399-V404 HydrophobicContact CG-CG2 4.23Å; S400-V404 PolarHBondContact O-N 2.7Å; R401-V404 PolarHBondContact O-N 2.76Å; E402-V404 VanDerWaalsContact C-N 3.32Å; E402-V404 PolarHBondContact O-N 2.9Å; V404-L408 HydrophobicContact CG1-CD1 4Å; V404-L408 HydrophobicContact CG1-CG 4.4Å; V404-L408 WeakPolarHBondContact O-CB 3.35Å; V404-L408 WeakPolarHBondContact O-CG 3.17Å; V404-L408 PolarHBondContact O-N 2.98Å
405	V	97.5	Very high	97.2	Very high	50 Å²	50	36.4 Å²	36.4	30%	0.303	21%	0.205	S	C	.	.	H	α-helix	trans	-61.2	-50.6	176	169.1	0	0	0	0	110.8	L336 R401 E402 L408 S409	L336-V405 HydrophobicContact CD1-CG2 3.9Å; L336-V405 HydrophobicContact CD2-CG2 3.87Å; R401-V405 HydrophobicContact CG-CG2 4.36Å; R401-V405 WeakPolarHBondContact O-CG2 3.24Å; R401-V405 PolarHBondContact O-N 3.37Å; E402-V405 PolarHBondContact O-N 3.36Å; V405-L408 PolarHBondContact O-N 2.88Å; V405-S409 VanDerWaalsContact O-CB 3.23Å; V405-S409 WeakPolarHBondContact O-CB 3.14Å; V405-S409 PolarHBondContact O-N 3.46Å; V405-S409 PolarHBondContact O-OG 3.34Å
406	Q	97.7	Very high	97.1	Very high	61 Å²	61	38.2 Å²	38.2	29%	0.285	22%	0.218	S	C	.	.	H	α-helix	trans	-63	-44.9	179.6	-68.1	-173.3	20.9	0	0	111.7	E402 A403 L408 S409 S410	E402-Q406 WeakPolarHBondContact O-CG 3.14Å; E402-Q406 PolarHBondContact O-N 3.5Å; E402-Q406 WeakPolarHBondContact OE1-CG 3.28Å; E402-Q406 PolarHBondContact OE1-NE2 3.09Å; A403-Q406 PolarHBondContact O-N 3.12Å; Q406-L408 PolarHBondContact O-N 3.37Å; Q406-S409 PolarHBondContact O-N 2.62Å; Q406-S410 WeakPolarHBondContact O-CB 3.38Å; Q406-S410 PolarHBondContact O-N 3.02Å
407	L	97.7	Very high	97	Very high	1 Å²	1	42.1 Å²	42.1	1%	0.005	24%	0.239	C	C	.	.	H	α-helix	trans	-58.3	-50	179.1	179.8	67.2	0	0	0	111.8	L332 A403 S410 C412 L425 C428 L432	L332-L407 HydrophobicContact CD1-CD2 3.59Å; A403-L407 VanDerWaalsContact O-CB 3.22Å; A403-L407 WeakPolarHBondContact O-CB 3.22Å; A403-L407 PolarHBondContact O-N 2.78Å; L407-S410 PolarHBondContact O-N 3.33Å; L407-S410 PolarHBondContact O-OG 3.43Å; L407-C412 HydrophobicContact CD1-CB 4.23Å; L407-L425 HydrophobicContact CD2-CD2 3.35Å; L407-L425 HydrophobicContact CG-CD2 4.49Å; L407-C428 HydrophobicContact CD1-CB 3.56Å; L407-L432 HydrophobicContact CD1-CD1 4.32Å
408	L	97.3	Very high	96.9	Very high	41 Å²	41	45.7 Å²	45.7	22%	0.215	26%	0.258	C	S	.	.	H	α-helix	trans	-72	-30.9	-179.4	-69.9	178.8	0	0	0	113	F329 L332 R333 L336 V404 V405 Q406 S410	F329-L408 HydrophobicContact CD1-CD2 4.07Å; F329-L408 HydrophobicContact CE1-CD2 4.41Å; L332-L408 HydrophobicContact CB-CD1 4.07Å; L332-L408 HydrophobicContact CB-CD2 4.22Å; L332-L408 HydrophobicContact CB-CG 4.36Å; R333-L408 HydrophobicContact CG-CD1 4.03Å; R333-L408 HydrophobicContact CG-CD2 4.06Å; L336-L408 HydrophobicContact CD1-CD1 3.66Å; L336-L408 HydrophobicContact CG-CD1 4.13Å; V404-L408 HydrophobicContact CG1-CD1 4Å; V404-L408 HydrophobicContact CG1-CG 4.4Å; V404-L408 WeakPolarHBondContact O-CB 3.35Å; V404-L408 WeakPolarHBondContact O-CG 3.17Å; V404-L408 PolarHBondContact O-N 2.98Å; V405-L408 PolarHBondContact O-N 2.88Å; Q406-L408 PolarHBondContact O-N 3.37Å; L408-S410 VanDerWaalsContact C-N 3.31Å
409	S	97.3	Very high	96.8	Very high	97 Å²	97	45.8 Å²	45.8	68%	0.678	26%	0.258	S	S	*	.	H	α-helix	trans	-75.7	-20.4	177.9	-55.2	0	0	0	0	112.9	V405 Q406 G411	V405-S409 VanDerWaalsContact O-CB 3.23Å; V405-S409 WeakPolarHBondContact O-CB 3.14Å; V405-S409 PolarHBondContact O-N 3.46Å; V405-S409 PolarHBondContact O-OG 3.34Å; Q406-S409 PolarHBondContact O-N 2.62Å; S409-G411 PolarHBondContact O-N 2.94Å
410	S	96.7	Very high	96.7	Very high	51 Å²	51	47.7 Å²	47.7	36%	0.357	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-15.4	179.3	72.4	0	0	0	0	114.9	Q406 L407 L408 C412 L432	Q406-S410 WeakPolarHBondContact O-CB 3.38Å; Q406-S410 PolarHBondContact O-N 3.02Å; L407-S410 PolarHBondContact O-N 3.33Å; L407-S410 PolarHBondContact O-OG 3.43Å; L408-S410 VanDerWaalsContact C-N 3.31Å; S410-C412 PolarHBondContact O-N 2.78Å; S410-C412 WeakPolarHBondContact OG-CB 3.35Å; S410-C412 PolarHBondContact OG-N 2.87Å; S410-C412 VanDerWaalsContact OG-N 3.07Å; S410-L432 VanDerWaalsContact CB-CD2 3.43Å
411	G	94.1	Very high	96.7	Very high	51 Å²	51	48.2 Å²	48.2	53%	0.526	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	78.9	3.2	-169.6	0	0	0	0	0	114.1	S409 N413	S409-G411 PolarHBondContact O-N 2.94Å; G411-N413 PolarHBondContact O-N 2.89Å; G411-N413 PolarHBondContact O-ND2 2.88Å
412	C	95.7	Very high	96.7	Very high	17 Å²	17	47.9 Å²	47.9	12%	0.115	28%	0.275	C	S	.	.			trans	-55.1	134.8	169.3	167.7	0	0	0	0	111	F329 L407 S410 C428	F329-C412 WeakPolarHBondContact CE1-O 3.42Å; F329-C412 WeakPolarHBondContact CZ-SG 3.27Å; L407-C412 HydrophobicContact CD1-CB 4.23Å; S410-C412 PolarHBondContact O-N 2.78Å; S410-C412 WeakPolarHBondContact OG-CB 3.35Å; S410-C412 PolarHBondContact OG-N 2.87Å; S410-C412 VanDerWaalsContact OG-N 3.07Å; C412-C428 HydrophobicContact CB-CB 3.66Å; C412-C428 WeakPolarHBondContact CB-SG 3.38Å; C412-C428 WeakPolarHBondContact SG-CB 3.22Å; C412-C428 CovalentContact SG-SG 2Å; C412-C428 PolarHBondContact SG-SG 3.5Å
413	N	93.7	Very high	96.7	Very high	93 Å²	93	45.9 Å²	45.9	50%	0.497	27%	0.266	S	S	.	.			trans	-147.7	158.3	177	-73.8	-73.7	0	0	0	110.5	R333 G411	R333-N413 PolarHBondContact NH2-OD1 3.47Å; G411-N413 PolarHBondContact O-N 2.89Å; G411-N413 PolarHBondContact O-ND2 2.88Å
414	C	96.7	Very high	96.7	Very high	30 Å²	30	46.1 Å²	46.1	20%	0.203	27%	0.267	C	S	.	.			trans	-63	134.8	169.4	-55.5	0	0	0	0	111.1	C325 F329 S416	C325-C414 HydrophobicContact CB-CB 3.8Å; C325-C414 WeakPolarHBondContact CB-SG 3.18Å; C325-C414 PolarHBondContact O-SG 3.18Å; C325-C414 VanDerWaalsContact SG-CA 3.57Å; C325-C414 WeakPolarHBondContact SG-CB 3.13Å; C325-C414 CovalentContact SG-SG 2.03Å; C325-C414 PolarHBondContact SG-SG 3.37Å; F329-C414 WeakPolarHBondContact CD2-SG 3.41Å; C414-S416 WeakPolarHBondContact CB-O 3.47Å; C414-S416 PolarHBondContact O-N 3.28Å
415	Y	95	Very high	96.7	Very high	161 Å²	161	46.3 Å²	46.3	63%	0.631	27%	0.268	S	S	*	.	S	Bend	trans	-74	-18.4	169.4	56.6	-99.4	0	0	0	112.6	A419 P420 V424	Y415-A419 HydrophobicContact CD1-CB 4.31Å; Y415-A419 HydrophobicContact CD2-CB 4.09Å; Y415-A419 HydrophobicContact CE1-CB 3.78Å; Y415-A419 HydrophobicContact CE2-CB 3.51Å; Y415-A419 HydrophobicContact CG-CB 4.46Å; Y415-P420 WeakPolarHBondContact OH-CD 3.43Å; Y415-V424 HydrophobicContact CD1-CG2 4.08Å; Y415-V424 HydrophobicContact CE1-CG2 3.56Å
416	S	96.1	Very high	96.7	Very high	38 Å²	38	44 Å²	44	27%	0.266	25%	0.254	S	S	.	.	S	Bend	trans	-159.4	156.5	172.5	58.3	0	0	0	0	109.9	C414 D418 A419	C414-S416 WeakPolarHBondContact CB-O 3.47Å; C414-S416 PolarHBondContact O-N 3.28Å; S416-D418 VanDerWaalsContact CB-OD1 3.25Å; S416-D418 WeakPolarHBondContact CB-OD1 3.39Å; S416-D418 PolarHBondContact O-N 2.99Å; S416-D418 PolarHBondContact OG-OD1 2.83Å; S416-D418 VanDerWaalsContact OG-OD1 3.12Å; S416-A419 WeakPolarHBondContact O-CB 3.35Å; S416-A419 PolarHBondContact O-N 2.87Å; S416-A419 PolarHBondContact OG-N 2.56Å
417	N	95.9	Very high	96.6	Very high	82 Å²	82	45 Å²	45	44%	0.439	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-29.9	179.4	-77.4	-22.6	0	0	0	112.6	T320 C325 G326	T320-N417 HydrophobicContact CG2-CB 4.44Å; C325-N417 PolarHBondContact N-O 2.93Å; G326-N417 PolarHBondContact N-O 3.3Å; G326-N417 VanDerWaalsContact N-O 3.1Å
418	D	96.5	Very high	96.6	Very high	77 Å²	77	45.8 Å²	45.8	41%	0.412	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.5	6.4	-177.5	64.7	-38.1	0	0	0	114.1	T320 G323 S416	T320-D418 HydrophobicContact CG2-CB 3.7Å; G323-D418 CarbonylContact C-O 3.51Å; G323-D418 WeakPolarHBondContact CA-O 3.18Å; G323-D418 PolarHBondContact N-O 2.79Å; G323-D418 VanDerWaalsContact N-O 3.13Å; G323-D418 WeakPolarHBondContact O-CA 3.34Å; S416-D418 VanDerWaalsContact CB-OD1 3.25Å; S416-D418 WeakPolarHBondContact CB-OD1 3.39Å; S416-D418 PolarHBondContact O-N 2.99Å; S416-D418 PolarHBondContact OG-OD1 2.83Å; S416-D418 VanDerWaalsContact OG-OD1 3.12Å
419	A	97.3	Very high	96.6	Very high	2 Å²	2	44 Å²	44	2%	0.017	26%	0.256	C	S	.	.	S	Bend	trans	-58.9	147.3	170.2	0	0	0	0	0	111.5	G323 H324 C325 Y415 S416 D421 V424	G323-A419 CarbonylContact C-O 3.58Å; G323-A419 WeakPolarHBondContact CA-O 3.32Å; H324-A419 PolarHBondContact N-O 2.9Å; H324-A419 VanDerWaalsContact N-O 3.17Å; C325-A419 HydrophobicContact CB-CB 3.8Å; C325-A419 VanDerWaalsContact CB-O 3.27Å; C325-A419 WeakPolarHBondContact CB-O 2.98Å; C325-A419 PolarHBondContact N-O 2.82Å; C325-A419 VanDerWaalsContact N-O 3.11Å; Y415-A419 HydrophobicContact CD1-CB 4.31Å; Y415-A419 HydrophobicContact CD2-CB 4.09Å; Y415-A419 HydrophobicContact CE1-CB 3.78Å; Y415-A419 HydrophobicContact CE2-CB 3.51Å; Y415-A419 HydrophobicContact CG-CB 4.46Å; S416-A419 WeakPolarHBondContact O-CB 3.35Å; S416-A419 PolarHBondContact O-N 2.87Å; S416-A419 PolarHBondContact OG-N 2.56Å; A419-D421 PolarHBondContact O-N 2.94Å; A419-D421 VanDerWaalsContact O-N 3.13Å; A419-V424 HydrophobicContact CB-CG2 3.93Å
420	P	97	Very high	96.5	Very high	42 Å²	42	42.3 Å²	42.3	27%	0.273	24%	0.239	S	C	.	.			trans	-59.8	114.3	169.7	25.5	-33.8	0	0	0	109.4	Y415 M423 V424	Y415-P420 WeakPolarHBondContact OH-CD 3.43Å; P420-M423 HydrophobicContact CB-CB 4.14Å; P420-M423 HydrophobicContact CB-CG 4.18Å; P420-M423 HydrophobicContact CB-SD 4.22Å; P420-M423 HydrophobicContact CG-CB 4.04Å; P420-M423 HydrophobicContact CG-CG 4.33Å; P420-M423 HydrophobicContact CG-SD 4.02Å; P420-V424 VanDerWaalsContact O-CG2 3.31Å; P420-V424 WeakPolarHBondContact O-CG2 3.39Å; P420-V424 PolarHBondContact O-N 2.98Å; P420-V424 VanDerWaalsContact O-N 3.09Å
421	D	97.5	Very high	96.4	Very high	11 Å²	11	44.4 Å²	44.4	6%	0.059	25%	0.254	C	S	.	.	H	α-helix	trans	-68.3	-45.3	-170.6	51.2	-37.9	0	0	0	112.2	K275 C325 T328 A419 M423 V424 L425	K275-D421 IonicContact NZ-OD2 2.74Å; K275-D421 PolarHBondContact NZ-OD2 3.42Å; C325-D421 HydrophobicContact CB-CB 4.21Å; T328-D421 HydrophobicContact CG2-CB 4.26Å; T328-D421 PolarHBondContact OG1-OD2 3.04Å; A419-D421 PolarHBondContact O-N 2.94Å; A419-D421 VanDerWaalsContact O-N 3.13Å; D421-M423 PolarHBondContact O-N 3.01Å; D421-V424 PolarHBondContact O-N 2.9Å; D421-L425 WeakPolarHBondContact O-CB 3.47Å; D421-L425 WeakPolarHBondContact O-CG 3.24Å; D421-L425 PolarHBondContact O-N 3.29Å
422	D	97.7	Very high	96.5	Very high	28 Å²	28	44.8 Å²	44.8	15%	0.15	24%	0.244	C	C	.	.	H	α-helix	trans	-57.2	-48	176.3	54.4	-1.9	0	0	0	112.5	Y390 I391 M397 L425 G426	Y390-D422 WeakPolarHBondContact CB-O 3.32Å; Y390-D422 HydrophobicContact CD2-CB 3.91Å; Y390-D422 HydrophobicContact CE2-CB 4.47Å; I391-D422 VanDerWaalsContact O-CB 3.22Å; I391-D422 WeakPolarHBondContact O-CB 3.41Å; M397-D422 HydrophobicContact SD-CB 4.44Å; D422-L425 PolarHBondContact O-N 2.75Å; D422-G426 PolarHBondContact O-N 3.18Å
423	M	97.3	Very high	96.4	Very high	30 Å²	30	54.5 Å²	54.5	15%	0.148	28%	0.278	C	S	.	.	H	α-helix	trans	-65.9	-39.8	178	-65.9	-172.9	75.5	0	0	112.6	F210 Y381 Y388 Y390 P420 D421 G426 M427	F210-M423 HydrophobicContact CE1-CE 3.93Å; F210-M423 HydrophobicContact CE1-SD 4.22Å; F210-M423 HydrophobicContact CZ-CE 4.29Å; Y381-M423 HydrophobicContact CD1-CE 4.08Å; Y381-M423 HydrophobicContact CD2-CE 3.55Å; Y381-M423 HydrophobicContact CE1-CE 4.46Å; Y381-M423 HydrophobicContact CE2-CE 3.97Å; Y381-M423 HydrophobicContact CG-CE 3.6Å; Y388-M423 WeakPolarHBondContact CE2-O 3.42Å; Y388-M423 PolarHBondContact OH-O 3.27Å; Y390-M423 HydrophobicContact CD1-CG 4.41Å; Y390-M423 HydrophobicContact CD2-CG 4.38Å; Y390-M423 HydrophobicContact CE1-CG 4.22Å; Y390-M423 HydrophobicContact CE2-CG 4.15Å; Y390-M423 HydrophobicContact CG-CG 4.48Å; P420-M423 HydrophobicContact CB-CB 4.14Å; P420-M423 HydrophobicContact CB-CG 4.18Å; P420-M423 HydrophobicContact CB-SD 4.22Å; P420-M423 HydrophobicContact CG-CB 4.04Å; P420-M423 HydrophobicContact CG-CG 4.33Å; P420-M423 HydrophobicContact CG-SD 4.02Å; D421-M423 PolarHBondContact O-N 3.01Å; M423-G426 PolarHBondContact O-N 3.22Å; M423-M427 WeakPolarHBondContact O-CB 3.42Å; M423-M427 PolarHBondContact O-N 3.16Å
424	V	97.9	Very high	96.4	Very high	6 Å²	6	50.6 Å²	50.6	4%	0.036	26%	0.257	C	S	.	.	H	α-helix	trans	-65	-42.6	175.6	171.6	0	0	0	0	110.6	F329 Y415 A419 P420 D421 M427 C428	F329-V424 HydrophobicContact CE2-CG1 4.12Å; F329-V424 HydrophobicContact CZ-CG1 4.43Å; Y415-V424 HydrophobicContact CD1-CG2 4.08Å; Y415-V424 HydrophobicContact CE1-CG2 3.56Å; A419-V424 HydrophobicContact CB-CG2 3.93Å; P420-V424 VanDerWaalsContact O-CG2 3.31Å; P420-V424 WeakPolarHBondContact O-CG2 3.39Å; P420-V424 PolarHBondContact O-N 2.98Å; P420-V424 VanDerWaalsContact O-N 3.09Å; D421-V424 PolarHBondContact O-N 2.9Å; V424-M427 PolarHBondContact O-N 2.94Å; V424-C428 PolarHBondContact O-N 3.38Å; V424-C428 PolarHBondContact O-SG 3.38Å
425	L	98.1	Very high	96.1	Very high	3 Å²	3	50.9 Å²	50.9	2%	0.016	26%	0.259	C	S	.	.	H	α-helix	trans	-61.3	-45.8	175.7	-70.7	171.9	0	0	0	111.4	T328 F329 L332 M397 F399 L407 D421 D422 M427 C428 L429	T328-L425 HydrophobicContact CG2-CD1 3.83Å; F329-L425 HydrophobicContact CE2-CD2 3.75Å; F329-L425 HydrophobicContact CE2-CG 4.36Å; F329-L425 HydrophobicContact CZ-CD2 3.95Å; L332-L425 HydrophobicContact CD1-CD2 3.87Å; M397-L425 HydrophobicContact SD-CD1 3.97Å; F399-L425 HydrophobicContact CZ-CD1 3.99Å; L407-L425 HydrophobicContact CD2-CD2 3.35Å; L407-L425 HydrophobicContact CG-CD2 4.49Å; D421-L425 WeakPolarHBondContact O-CB 3.47Å; D421-L425 WeakPolarHBondContact O-CG 3.24Å; D421-L425 PolarHBondContact O-N 3.29Å; D422-L425 PolarHBondContact O-N 2.75Å; L425-M427 PolarHBondContact O-N 3.41Å; L425-C428 PolarHBondContact O-N 3.31Å; L425-L429 WeakPolarHBondContact O-CB 3.37Å; L425-L429 VanDerWaalsContact O-CG 3.24Å; L425-L429 WeakPolarHBondContact O-CG 3.41Å; L425-L429 PolarHBondContact O-N 3.13Å
426	G	97.6	Very high	96.2	Very high	1 Å²	1	43.5 Å²	43.5	1%	0.01	23%	0.23	C	C	.	.	H	α-helix	trans	-58.9	-44.6	175.8	0	0	0	0	0	113.1	S389 D422 M423 C428 L429 N430	S389-G426 VanDerWaalsContact O-CA 3.28Å; S389-G426 WeakPolarHBondContact O-CA 3.49Å; D422-G426 PolarHBondContact O-N 3.18Å; M423-G426 PolarHBondContact O-N 3.22Å; G426-C428 VanDerWaalsContact C-N 3.31Å; G426-C428 PolarHBondContact O-N 3.33Å; G426-L429 PolarHBondContact O-N 3.42Å; G426-N430 VanDerWaalsContact O-CB 3.32Å; G426-N430 WeakPolarHBondContact O-CB 3.47Å; G426-N430 PolarHBondContact O-N 3.22Å
427	M	96.6	Very high	96.3	Very high	83 Å²	83	41.9 Å²	41.9	41%	0.409	22%	0.219	S	C	.	.	H	α-helix	trans	-58.9	-43.2	176.3	-175	-172.6	-62.2	0	0	112	Y388 M423 V424 L425 S431	Y388-M427 HydrophobicContact CD1-CB 4.42Å; Y388-M427 HydrophobicContact CD2-CB 4.43Å; Y388-M427 HydrophobicContact CE1-CB 3.99Å; Y388-M427 HydrophobicContact CE1-CE 4.01Å; Y388-M427 HydrophobicContact CE1-CG 4.21Å; Y388-M427 HydrophobicContact CE2-CB 4.02Å; M423-M427 WeakPolarHBondContact O-CB 3.42Å; M423-M427 PolarHBondContact O-N 3.16Å; V424-M427 PolarHBondContact O-N 2.94Å; L425-M427 PolarHBondContact O-N 3.41Å; M427-S431 PolarHBondContact O-N 3.12Å; M427-S431 PolarHBondContact O-OG 3.19Å
428	C	97.7	Very high	96.3	Very high	17 Å²	17	40.2 Å²	40.2	12%	0.115	21%	0.208	C	C	.	.	H	α-helix	trans	-71.2	-42.3	179.6	-71.3	0	0	0	0	112.7	L407 C412 V424 L425 G426 N430 S431 L432	L407-C428 HydrophobicContact CD1-CB 3.56Å; C412-C428 HydrophobicContact CB-CB 3.66Å; C412-C428 WeakPolarHBondContact CB-SG 3.38Å; C412-C428 WeakPolarHBondContact SG-CB 3.22Å; C412-C428 CovalentContact SG-SG 2Å; C412-C428 PolarHBondContact SG-SG 3.5Å; V424-C428 PolarHBondContact O-N 3.38Å; V424-C428 PolarHBondContact O-SG 3.38Å; L425-C428 PolarHBondContact O-N 3.31Å; G426-C428 VanDerWaalsContact C-N 3.31Å; G426-C428 PolarHBondContact O-N 3.33Å; C428-N430 VanDerWaalsContact C-N 3.32Å; C428-N430 PolarHBondContact O-N 2.89Å; C428-S431 PolarHBondContact O-N 3.1Å; C428-L432 WeakPolarHBondContact O-CG 3.47Å; C428-L432 PolarHBondContact O-N 3.22Å
429	L	96.7	Very high	96.3	Very high	3 Å²	3	36.7 Å²	36.7	2%	0.016	19%	0.19	C	C	.	.	H	α-helix	trans	-61	-42.1	175	-71.2	168.9	0	0	0	111.2	C374 L425 G426 S431 L432 R433 V434 V436	C374-L429 HydrophobicContact CB-CD1 3.7Å; C374-L429 VanDerWaalsContact SG-CD1 3.57Å; L425-L429 WeakPolarHBondContact O-CB 3.37Å; L425-L429 VanDerWaalsContact O-CG 3.24Å; L425-L429 WeakPolarHBondContact O-CG 3.41Å; L425-L429 PolarHBondContact O-N 3.13Å; G426-L429 PolarHBondContact O-N 3.42Å; L429-S431 PolarHBondContact O-N 3.09Å; L429-L432 CarbonylContact O-C 3.36Å; L429-L432 PolarHBondContact O-N 3.28Å; L429-R433 PolarHBondContact O-N 3.01Å; L429-V434 CarbonylContact C-O 3.05Å; L429-V434 HydrophobicContact CD2-CB 4.01Å; L429-V434 HydrophobicContact CD2-CG1 3.92Å; L429-V434 PolarHBondContact O-N 3.04Å; L429-V436 HydrophobicContact CD1-CG1 3.91Å
430	N	95	Very high	96.2	Very high	62 Å²	62	38.6 Å²	38.6	33%	0.332	20%	0.202	S	C	.	.	H	α-helix	trans	-61.1	-44.3	174.5	-174.2	54.8	0	0	0	112	G426 C428 L432 R433	G426-N430 VanDerWaalsContact O-CB 3.32Å; G426-N430 WeakPolarHBondContact O-CB 3.47Å; G426-N430 PolarHBondContact O-N 3.22Å; C428-N430 VanDerWaalsContact C-N 3.32Å; C428-N430 PolarHBondContact O-N 2.89Å; N430-L432 PolarHBondContact O-N 3.2Å; N430-R433 PolarHBondContact O-N 2.99Å
431	S	94.7	Very high	96.2	Very high	96 Å²	96	37.5 Å²	37.5	67%	0.671	19%	0.194	S	C	*	.	H	α-helix	trans	-63.1	-31.5	176.6	-63.1	0	0	0	0	112.5	M427 C428 L429 R433	M427-S431 PolarHBondContact O-N 3.12Å; M427-S431 PolarHBondContact O-OG 3.19Å; C428-S431 PolarHBondContact O-N 3.1Å; L429-S431 PolarHBondContact O-N 3.09Å; S431-R433 VanDerWaalsContact C-N 3.29Å
432	L	95.3	Very high	96.2	Very high	59 Å²	59	37.1 Å²	37.1	31%	0.309	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.2	-4.8	173.7	-70.2	165.5	0	0	0	113.8	L407 S410 C428 L429 N430 V434	L407-L432 HydrophobicContact CD1-CD1 4.32Å; S410-L432 VanDerWaalsContact CB-CD2 3.43Å; C428-L432 WeakPolarHBondContact O-CG 3.47Å; C428-L432 PolarHBondContact O-N 3.22Å; L429-L432 CarbonylContact O-C 3.36Å; L429-L432 PolarHBondContact O-N 3.28Å; N430-L432 PolarHBondContact O-N 3.2Å; L432-V434 HydrophobicContact CB-CG2 4.02Å; L432-V434 PolarHBondContact O-N 3.25Å
433	R	93.7	Very high	96.2	Very high	221 Å²	221	35.9 Å²	35.9	83%	0.834	19%	0.185	S	C	*	.	T	Hydrogen-bonded Turn	trans	56	30.7	-170.8	-53.9	-175.5	178.4	-172.1	-2	113.2	L429 N430 S431 P435	L429-R433 PolarHBondContact O-N 3.01Å; N430-R433 PolarHBondContact O-N 2.99Å; S431-R433 VanDerWaalsContact C-N 3.29Å; R433-P435 WeakPolarHBondContact O-CD 3.3Å
434	V	93.2	Very high	96.2	Very high	10 Å²	10	36.5 Å²	36.5	6%	0.061	19%	0.188	C	C	.	.			trans	-93.8	106.2	170.4	177.8	0	0	0	0	107.3	P372 L429 L432	P372-V434 HydrophobicContact CB-CG1 3.99Å; P372-V434 HydrophobicContact CB-CG2 4.26Å; P372-V434 HydrophobicContact CG-CG1 4.47Å; P372-V434 HydrophobicContact CG-CG2 4.44Å; L429-V434 CarbonylContact C-O 3.05Å; L429-V434 HydrophobicContact CD2-CB 4.01Å; L429-V434 HydrophobicContact CD2-CG1 3.92Å; L429-V434 PolarHBondContact O-N 3.04Å; L432-V434 HydrophobicContact CB-CG2 4.02Å; L432-V434 PolarHBondContact O-N 3.25Å
435	P	91.7	Very high	96.2	Very high	37 Å²	37	36.5 Å²	36.5	24%	0.24	19%	0.188	C	C	.	.	P	Polyproline II helix	trans	-69.5	140.9	-178.2	29.2	-33.9	0	0	0	110.6	R63 R433	R63-P435 HydrophobicContact CB-CG 4.07Å; R433-P435 WeakPolarHBondContact O-CD 3.3Å
436	V	96.6	Very high	96.1	Very high	5 Å²	5	38 Å²	38	3%	0.03	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	141.3	169	-51.6	0	0	0	0	109.6	R378 I391 L429	R378-V436 HydrophobicContact CB-CG2 4.41Å; R378-V436 HydrophobicContact CG-CG2 3.7Å; I391-V436 HydrophobicContact CD1-CB 3.78Å; I391-V436 HydrophobicContact CD1-CG2 4Å; I391-V436 HydrophobicContact CG1-CB 3.95Å; I391-V436 HydrophobicContact CG1-CG1 4.37Å; L429-V436 HydrophobicContact CD1-CG1 3.91Å
437	T	97.5	Very high	96.1	Very high	4 Å²	4	38.1 Å²	38.1	3%	0.025	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	118.4	-178.9	-60.9	0	0	0	0	109.9	N64 Y367 L373 C374 L375 G376	N64-T437 WeakPolarHBondContact ND2-CG2 3.45Å; N64-T437 PolarHBondContact ND2-OG1 3.42Å; Y367-T437 HydrophobicContact CE1-CG2 4.15Å; L373-T437 HydrophobicContact CD1-CG2 4.35Å; L373-T437 WeakPolarHBondContact CD1-OG1 3.36Å; C374-T437 PolarHBondContact O-N 3.15Å; L375-T437 WeakPolarHBondContact CA-O 3.28Å; L375-T437 HydrophobicContact CD1-CG2 3.51Å; G376-T437 PolarHBondContact N-O 2.03Å; G376-T437 VanDerWaalsContact N-O 3.15Å
438	H	97.6	Very high	96	Very high	47 Å²	47	37.5 Å²	37.5	22%	0.218	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	134.4	173	-176.9	44.3	0	0	0	110.7	Q62 G376 R378	Q62-H438 PolarHBondContact NE2-O 2Å; G376-H438 CarbonylContact O-C 3.44Å; G376-H438 WeakPolarHBondContact O-CA 3.3Å; R378-H438 HydrophobicContact CB-CB 3.64Å; R378-H438 PolarHBondContact N-ND1 2.96Å; R378-H438 VanDerWaalsContact N-ND1 3.19Å
439	S	96.5	Very high	95.9	Very high	4 Å²	4	37.1 Å²	37.1	3%	0.028	19%	0.187	C	C	.	.			trans	-120.5	127.4	161.8	177.8	0	0	0	0	109.4	G376 L441 F442	G376-S439 PolarHBondContact O-N 2.76Å; S439-L441 PolarHBondContact O-N 3.05Å; S439-L441 VanDerWaalsContact O-N 3.09Å; S439-L441 PolarHBondContact OG-N 3.38Å; S439-F442 PolarHBondContact O-N 2.97Å
440	P	94.5	Very high	95.9	Very high	42 Å²	42	37.6 Å²	37.6	27%	0.273	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.8	-1.1	177.1	31.6	-36.9	0	0	0	112.7	H443 Q458	P440-H443 PolarHBondContact O-CE1 2.83Å; P440-Q458 PolarHBondContact O-OE1 3.21Å
441	L	95.9	Very high	96	Very high	19 Å²	19	34.7 Å²	34.7	10%	0.099	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.8	-10.6	-180	-52.6	-177.1	0	0	0	112.5	S439 H443 Q458 I461 S462	S439-L441 PolarHBondContact O-N 3.05Å; S439-L441 VanDerWaalsContact O-N 3.09Å; S439-L441 PolarHBondContact OG-N 3.38Å; L441-H443 PolarHBondContact O-ND1 3.04Å; L441-Q458 HydrophobicContact CD2-CB 4.49Å; L441-I461 HydrophobicContact CB-CB 4.14Å; L441-I461 HydrophobicContact CB-CD1 3.88Å; L441-I461 HydrophobicContact CB-CG1 3.9Å; L441-I461 HydrophobicContact CD1-CD1 3.88Å; L441-I461 HydrophobicContact CD1-CG1 4.26Å; L441-I461 WeakPolarHBondContact O-CA 3.25Å; L441-I461 PolarHBondContact O-N 2.99Å; L441-S462 PolarHBondContact O-N 3.15Å
442	F	98.2	Very high	96.1	Very high	2 Å²	2	38.9 Å²	38.9	1%	0.009	18%	0.175	C	C	.	.			trans	-98.2	138	177	-71.2	-111.5	0	0	0	109.4	L360 L363 L375 E377 G395 G396 S439 I461 S462	L360-F442 HydrophobicContact CD1-CZ 3.81Å; L363-F442 HydrophobicContact CD2-CE2 3.75Å; L375-F442 HydrophobicContact CD2-CE2 4.3Å; L375-F442 HydrophobicContact CD2-CZ 4.38Å; E377-F442 HydrophobicContact CB-CB 4.11Å; G395-F442 WeakPolarHBondContact O-CD1 3.37Å; G396-F442 WeakPolarHBondContact O-CD1 3.25Å; S439-F442 PolarHBondContact O-N 2.97Å; F442-I461 HydrophobicContact CD2-CB 4.45Å; F442-I461 HydrophobicContact CD2-CG2 4.5Å; F442-I461 HydrophobicContact CE1-CG2 4.11Å; F442-I461 HydrophobicContact CE2-CB 4.35Å; F442-I461 HydrophobicContact CE2-CD1 3.89Å; F442-I461 HydrophobicContact CE2-CG2 4.1Å; F442-I461 HydrophobicContact CZ-CD1 4.46Å; F442-I461 HydrophobicContact CZ-CG2 3.9Å; F442-S462 WeakPolarHBondContact CA-OG 3.43Å
443	H	98.2	Very high	96	Very high	2 Å²	2	40 Å²	40	1%	0.009	18%	0.181	C	C	.	.			trans	-136.8	121.8	-175.2	-55.1	85.3	0	0	0	111.9	E377 G395 P440 L441 A445 Y450 L455 Q458 S462 F463 H464	E377-H443 VanDerWaalsContact OE2-CA 3.29Å; E377-H443 WeakPolarHBondContact OE2-CA 2.96Å; G395-H443 WeakPolarHBondContact CA-O 3.43Å; P440-H443 PolarHBondContact O-CE1 2.83Å; L441-H443 PolarHBondContact O-ND1 3.04Å; H443-A445 VanDerWaalsContact C-N 3.3Å; H443-Y450 WeakPolarHBondContact CA-OH 3.48Å; H443-Y450 HydrophobicContact CB-CE2 3.64Å; H443-Y450 WeakPolarHBondContact CB-OH 3.46Å; H443-Y450 AromaticContact CD2-CD2 3.98Å; H443-Y450 AromaticContact CD2-CE1 3.76Å; H443-Y450 AromaticContact CD2-CE2 3.64Å; H443-Y450 AromaticContact CD2-CZ 3.53Å; H443-Y450 AromaticContact CG-CE2 3.97Å; H443-Y450 AromaticContact CG-CZ 3.99Å; H443-L455 WeakPolarHBondContact NE2-CD2 3.32Å; H443-Q458 PolarHBondContact NE2-OE1 2.68Å; H443-S462 VanDerWaalsContact CB-O 3.28Å; H443-S462 WeakPolarHBondContact CB-O 3.47Å; H443-S462 PolarHBondContact N-O 2.69Å; H443-S462 PolarHBondContact N-OG 3.24Å; H443-S462 PolarHBondContact ND1-O 3.11Å; H443-F463 HydrophobicContact CB-CD1 3.56Å; H443-F463 HydrophobicContact CB-CE1 3.9Å; H443-F463 HydrophobicContact CB-CG 4.37Å; H443-F463 AromaticContact CG-CD1 3.85Å; H443-F463 AromaticContact CG-CE1 3.65Å; H443-F463 AromaticContact ND1-CE1 3.78Å; H443-F463 CarbonylContact O-C 3.59Å; H443-F463 VanDerWaalsContact O-CA 3.28Å; H443-F463 WeakPolarHBondContact O-CA 3.47Å; H443-H464 PolarHBondContact O-N 3.47Å
444	Q	97.5	Very high	96.1	Very high	44 Å²	44	30.6 Å²	30.6	21%	0.206	15%	0.146	C	C	.	.	S	Bend	trans	-81	-13.9	179.1	177	59.3	29.5	0	0	111.5	E377 Y379 T392 G394 Y450 H464	E377-Q444 WeakPolarHBondContact OE2-CA 3.36Å; E377-Q444 WeakPolarHBondContact OE2-CB 3.31Å; E377-Q444 PolarHBondContact OE2-N 3.14Å; Y379-Q444 HydrophobicContact CE2-CG 4.34Å; T392-Q444 HydrophobicContact CG2-CB 4.32Å; T392-Q444 HydrophobicContact CG2-CG 4.15Å; T392-Q444 PolarHBondContact OG1-OE1 2.97Å; T392-Q444 VanDerWaalsContact OG1-OE1 3.14Å; G394-Q444 VanDerWaalsContact C-OE1 3.28Å; Q444-Y450 PolarHBondContact N-OH 3.32Å; Q444-H464 PolarHBondContact O-ND1 3.16Å
445	A	97.2	Very high	96.2	Very high	5 Å²	5	30.3 Å²	30.3	4%	0.041	15%	0.145	C	C	.	.	S	Bend	trans	-120.2	174	178.5	0	0	0	0	0	112.2	I166 H443 D449 Y450 H464	I166-A445 HydrophobicContact CG2-CB 3.58Å; H443-A445 VanDerWaalsContact C-N 3.3Å; A445-D449 HydrophobicContact CB-CB 3.56Å; A445-Y450 HydrophobicContact CB-CE2 3.74Å; A445-Y450 PolarHBondContact N-OH 3.41Å; A445-Y450 VanDerWaalsContact N-OH 3.12Å; A445-H464 CarbonylContact C-O 3.51Å; A445-H464 WeakPolarHBondContact CA-O 3.22Å; A445-H464 PolarHBondContact N-O 2.96Å; A445-H464 PolarHBondContact O-N 3.49Å
446	R	96.9	Very high	96.3	Very high	34 Å²	34	32.5 Å²	32.5	13%	0.128	16%	0.161	C	C	.	.			trans	-74.5	159.2	-176.2	-52.4	167.2	-63.4	148.3	10.8	108.3	E162 E448 D449 Y450 H464 W467 I469	E162-R446 IonicContact OE1-CZ 3.47Å; E162-R446 IonicContact OE1-NH2 3.88Å; E162-R446 PolarHBondContact OE1-NH2 2.62Å; R446-E448 WeakPolarHBondContact CB-OE2 3.05Å; R446-E448 PolarHBondContact O-N 3.48Å; R446-E448 VanDerWaalsContact O-N 3.1Å; R446-D449 WeakPolarHBondContact CB-OD2 2.96Å; R446-D449 VanDerWaalsContact CG-OD2 3.29Å; R446-D449 WeakPolarHBondContact CG-OD2 3.49Å; R446-D449 IonicContact CZ-OD1 3.72Å; R446-D449 IonicContact CZ-OD2 2.88Å; R446-D449 PolarHBondContact N-OD2 3.33Å; R446-D449 IonicContact NE-OD1 3.25Å; R446-D449 PolarHBondContact NE-OD1 3.24Å; R446-D449 IonicContact NE-OD2 2.7Å; R446-D449 PolarHBondContact NE-OD2 2.92Å; R446-D449 IonicContact NH2-OD1 3.14Å; R446-D449 PolarHBondContact NH2-OD1 3.07Å; R446-D449 IonicContact NH2-OD2 2.77Å; R446-D449 WeakPolarHBondContact O-CB 2.99Å; R446-D449 PolarHBondContact O-N 3.23Å; R446-Y450 WeakPolarHBondContact O-CD2 3.48Å; R446-Y450 WeakPolarHBondContact O-CE2 3.4Å; R446-H464 PolarHBondContact N-O 2.98Å; R446-W467 WeakPolarHBondContact CD-O 3.49Å; R446-I469 HydrophobicContact CG-CG2 4.47Å
447	P	96.7	Very high	96.1	Very high	5 Å²	5	34 Å²	34	3%	0.032	17%	0.168	C	C	.	.	G	3₁₀ helix	trans	-52.9	-35.1	175.1	-24.3	32.2	0	0	0	113.6	D449 Y450 L455 F463 V474 W478	P447-D449 VanDerWaalsContact C-N 3.25Å; P447-D449 PolarHBondContact O-N 2.96Å; P447-Y450 PolarHBondContact O-N 3.17Å; P447-L455 HydrophobicContact CB-CD1 4.07Å; P447-L455 VanDerWaalsContact O-CD1 3.25Å; P447-L455 WeakPolarHBondContact O-CD1 3.24Å; P447-F463 HydrophobicContact CB-CD1 4.33Å; P447-F463 HydrophobicContact CB-CE1 4Å; P447-F463 HydrophobicContact CB-CZ 4.14Å; P447-F463 HydrophobicContact CG-CB 4.48Å; P447-F463 HydrophobicContact CG-CD1 3.75Å; P447-F463 HydrophobicContact CG-CD2 3.93Å; P447-F463 HydrophobicContact CG-CE1 3.86Å; P447-F463 HydrophobicContact CG-CE2 4.02Å; P447-F463 HydrophobicContact CG-CG 3.79Å; P447-F463 HydrophobicContact CG-CZ 3.98Å; P447-V474 HydrophobicContact CG-CG1 3.82Å; P447-W478 HydrophobicContact CB-CD2 4.46Å; P447-W478 HydrophobicContact CB-CZ2 4Å; P447-W478 HydrophobicContact CG-CG 4.33Å
448	E	94.8	Very high	95.8	Very high	70 Å²	70	35 Å²	35	33%	0.327	17%	0.172	S	C	.	.	G	3₁₀ helix	trans	-71.3	-19.3	179.9	-59.5	72.3	-153.7	0	0	113.4	R446 Y450	R446-E448 WeakPolarHBondContact CB-OE2 3.05Å; R446-E448 PolarHBondContact O-N 3.48Å; R446-E448 VanDerWaalsContact O-N 3.1Å; E448-Y450 PolarHBondContact O-N 2.97Å
449	D	96.2	Very high	95.5	Very high	9 Å²	9	34.9 Å²	34.9	5%	0.048	17%	0.174	C	C	.	.	G	3₁₀ helix	trans	-78.7	-7.3	178.1	-64.6	-49.8	0	0	0	112.4	T164 I166 A445 R446 P447	T164-D449 WeakPolarHBondContact OG1-CA 3.38Å; T164-D449 VanDerWaalsContact OG1-CB 3.28Å; T164-D449 WeakPolarHBondContact OG1-CB 3.22Å; T164-D449 PolarHBondContact OG1-O 3.14Å; I166-D449 WeakPolarHBondContact CD1-O 3.07Å; A445-D449 HydrophobicContact CB-CB 3.56Å; R446-D449 WeakPolarHBondContact CB-OD2 2.96Å; R446-D449 VanDerWaalsContact CG-OD2 3.29Å; R446-D449 WeakPolarHBondContact CG-OD2 3.49Å; R446-D449 IonicContact CZ-OD1 3.72Å; R446-D449 IonicContact CZ-OD2 2.88Å; R446-D449 PolarHBondContact N-OD2 3.33Å; R446-D449 IonicContact NE-OD1 3.25Å; R446-D449 PolarHBondContact NE-OD1 3.24Å; R446-D449 IonicContact NE-OD2 2.7Å; R446-D449 PolarHBondContact NE-OD2 2.92Å; R446-D449 IonicContact NH2-OD1 3.14Å; R446-D449 PolarHBondContact NH2-OD1 3.07Å; R446-D449 IonicContact NH2-OD2 2.77Å; R446-D449 WeakPolarHBondContact O-CB 2.99Å; R446-D449 PolarHBondContact O-N 3.23Å; P447-D449 VanDerWaalsContact C-N 3.25Å; P447-D449 PolarHBondContact O-N 2.96Å
450	Y	96.6	Very high	95.5	Very high	12 Å²	12	34.9 Å²	34.9	5%	0.047	17%	0.174	C	C	.	.	S	Bend	trans	-114.1	147.1	178.1	-58.2	-87.3	0	0	0	111.5	I166 H443 Q444 A445 R446 P447 E448 R452 F454 L455 F463	I166-Y450 HydrophobicContact CD1-CD1 3.7Å; I166-Y450 HydrophobicContact CD1-CE1 3.77Å; I166-Y450 HydrophobicContact CD1-CG 4.4Å; H443-Y450 WeakPolarHBondContact CA-OH 3.48Å; H443-Y450 HydrophobicContact CB-CE2 3.64Å; H443-Y450 WeakPolarHBondContact CB-OH 3.46Å; H443-Y450 AromaticContact CD2-CD2 3.98Å; H443-Y450 AromaticContact CD2-CE1 3.76Å; H443-Y450 AromaticContact CD2-CE2 3.64Å; H443-Y450 AromaticContact CD2-CZ 3.53Å; H443-Y450 AromaticContact CG-CE2 3.97Å; H443-Y450 AromaticContact CG-CZ 3.99Å; Q444-Y450 PolarHBondContact N-OH 3.32Å; A445-Y450 HydrophobicContact CB-CE2 3.74Å; A445-Y450 PolarHBondContact N-OH 3.41Å; A445-Y450 VanDerWaalsContact N-OH 3.12Å; R446-Y450 WeakPolarHBondContact O-CD2 3.48Å; R446-Y450 WeakPolarHBondContact O-CE2 3.4Å; P447-Y450 PolarHBondContact O-N 3.17Å; E448-Y450 PolarHBondContact O-N 2.97Å; Y450-R452 PolarHBondContact O-N 3.21Å; Y450-F454 HydrophobicContact CD1-CD1 4.44Å; Y450-F454 HydrophobicContact CD1-CE1 4.26Å; Y450-L455 HydrophobicContact CG-CD2 4.42Å; Y450-F463 HydrophobicContact CD2-CE1 4.34Å; Y450-F463 HydrophobicContact CE2-CD1 4.46Å; Y450-F463 HydrophobicContact CE2-CE1 4.44Å
451	A	96.9	Very high	95.6	Very high	2 Å²	2	32.9 Å²	32.9	2%	0.017	16%	0.161	C	C	.	.			trans	-52.4	133.2	173.6	0	0	0	0	0	112	L158 H159 Y180 D453 F454 L455	L158-A451 HydrophobicContact CB-CB 4.06Å; L158-A451 HydrophobicContact CD2-CB 4.21Å; L158-A451 HydrophobicContact CG-CB 4.5Å; H159-A451 VanDerWaalsContact O-CB 3.29Å; H159-A451 WeakPolarHBondContact O-CB 3.34Å; Y180-A451 WeakPolarHBondContact OH-CB 3.36Å; A451-D453 VanDerWaalsContact C-N 3.28Å; A451-D453 PolarHBondContact O-N 2.87Å; A451-F454 HydrophobicContact CB-CB 4.03Å; A451-F454 WeakPolarHBondContact O-CB 3.5Å; A451-F454 PolarHBondContact O-N 3.4Å; A451-F454 VanDerWaalsContact O-N 3.07Å; A451-L455 PolarHBondContact O-N 2.86Å; A451-L455 VanDerWaalsContact O-N 3.16Å
452	R	95.9	Very high	95.7	Very high	183 Å²	183	32 Å²	32	69%	0.691	16%	0.157	S	C	*	.	H	α-helix	trans	-57.3	-43.2	-179	-179.2	-177.5	174.1	-174.8	-1.7	112.2	Y450 F454 L455 S456	Y450-R452 PolarHBondContact O-N 3.21Å; R452-F454 VanDerWaalsContact C-N 3.29Å; R452-F454 PolarHBondContact O-N 2.77Å; R452-L455 PolarHBondContact O-N 3.09Å; R452-S456 WeakPolarHBondContact O-CB 3.33Å; R452-S456 PolarHBondContact O-N 2.78Å
453	D	94.8	Very high	95.7	Very high	82 Å²	82	32 Å²	32	44%	0.439	16%	0.157	S	C	.	.	H	α-helix	trans	-66.9	-32.1	-179.5	-88.7	16.4	0	0	0	112.1	L158 A451 S456 H457	L158-D453 HydrophobicContact CD2-CB 3.77Å; A451-D453 VanDerWaalsContact C-N 3.28Å; A451-D453 PolarHBondContact O-N 2.87Å; D453-S456 PolarHBondContact O-N 3.38Å; D453-S456 PolarHBondContact O-OG 3.26Å; D453-H457 PolarHBondContact O-CD2 3.16Å
454	F	95.3	Very high	95.7	Very high	24 Å²	24	33 Å²	33	11%	0.105	16%	0.161	C	C	.	.	H	α-helix	trans	-64.9	-48.9	174	177.8	-108.1	0	0	0	111.3	L158 Y450 A451 R452 S456 H457	L158-F454 HydrophobicContact CD1-CB 3.94Å; L158-F454 HydrophobicContact CD1-CD2 4.18Å; L158-F454 HydrophobicContact CD1-CG 4.42Å; L158-F454 HydrophobicContact CD2-CB 4.21Å; Y450-F454 HydrophobicContact CD1-CD1 4.44Å; Y450-F454 HydrophobicContact CD1-CE1 4.26Å; A451-F454 HydrophobicContact CB-CB 4.03Å; A451-F454 WeakPolarHBondContact O-CB 3.5Å; A451-F454 PolarHBondContact O-N 3.4Å; A451-F454 VanDerWaalsContact O-N 3.07Å; R452-F454 VanDerWaalsContact C-N 3.29Å; R452-F454 PolarHBondContact O-N 2.77Å; F454-S456 PolarHBondContact O-N 3.25Å; F454-H457 PolarHBondContact O-CD2 2.95Å; F454-H457 PolarHBondContact O-NE2 3.49Å
455	L	94.8	Very high	95.5	Very high	5 Å²	5	35 Å²	35	3%	0.026	17%	0.169	C	C	.	.	H	α-helix	trans	-69.5	-21.3	176.9	-64.5	-175.6	0	0	0	113.3	H443 P447 Y450 A451 R452 H457 Q458 F463 W478	H443-L455 WeakPolarHBondContact NE2-CD2 3.32Å; P447-L455 HydrophobicContact CB-CD1 4.07Å; P447-L455 VanDerWaalsContact O-CD1 3.25Å; P447-L455 WeakPolarHBondContact O-CD1 3.24Å; Y450-L455 HydrophobicContact CG-CD2 4.42Å; A451-L455 PolarHBondContact O-N 2.86Å; A451-L455 VanDerWaalsContact O-N 3.16Å; R452-L455 PolarHBondContact O-N 3.09Å; L455-H457 VanDerWaalsContact C-N 3.27Å; L455-H457 PolarHBondContact O-N 3.49Å; L455-Q458 PolarHBondContact O-N 3.13Å; L455-F463 HydrophobicContact CD1-CE1 4.14Å; L455-F463 HydrophobicContact CD1-CZ 4.12Å; L455-F463 HydrophobicContact CD2-CE1 4.17Å; L455-F463 HydrophobicContact CD2-CZ 4.14Å; L455-W478 HydrophobicContact CB-CH2 4.02Å; L455-W478 HydrophobicContact CB-CZ3 4.03Å; L455-W478 HydrophobicContact CD1-CH2 3.99Å; L455-W478 HydrophobicContact CD1-CZ2 4.39Å; L455-W478 HydrophobicContact CD1-CZ3 4.34Å
456	S	93	Very high	95.4	Very high	83 Å²	83	36.2 Å²	36.2	58%	0.58	17%	0.174	S	C	*	.	H	α-helix	trans	-66.8	-25.5	-174.9	78.6	0	0	0	0	114.5	R452 D453 F454	R452-S456 WeakPolarHBondContact O-CB 3.33Å; R452-S456 PolarHBondContact O-N 2.78Å; D453-S456 PolarHBondContact O-N 3.38Å; D453-S456 PolarHBondContact O-OG 3.26Å; F454-S456 PolarHBondContact O-N 3.25Å
457	H	92.2	Very high	95.2	Very high	37 Å²	37	42.6 Å²	42.6	17%	0.171	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.8	-1.9	-179.1	63.8	81.8	0	0	0	113.2	D182 T239 V254 D453 F454 L455	D182-H457 IonicContact OD1-CE1 3.92Å; D182-H457 IonicContact OD1-NE2 2.83Å; D182-H457 PolarHBondContact OD1-NE2 2.62Å; D182-H457 IonicContact OD2-CD2 2.83Å; D182-H457 IonicContact OD2-NE2 3.17Å; D182-H457 PolarHBondContact OD2-NE2 3.18Å; T239-H457 WeakPolarHBondContact CB-CD2 3.39Å; T239-H457 WeakPolarHBondContact O-CB 3.41Å; T239-H457 PolarHBondContact OG1-CD2 2.64Å; V254-H457 HydrophobicContact CG2-CB 4.39Å; D453-H457 PolarHBondContact O-CD2 3.16Å; F454-H457 PolarHBondContact O-CD2 2.95Å; F454-H457 PolarHBondContact O-NE2 3.49Å; L455-H457 VanDerWaalsContact C-N 3.27Å; L455-H457 PolarHBondContact O-N 3.49Å
458	Q	91.1	Very high	95	Very high	24 Å²	24	48.2 Å²	48.2	11%	0.112	23%	0.228	C	C	.	.			trans	-100.1	162.8	178.5	-66.1	-176	-2.9	0	0	112.4	P440 L441 H443 L455	P440-Q458 PolarHBondContact O-OE1 3.21Å; L441-Q458 HydrophobicContact CD2-CB 4.49Å; H443-Q458 PolarHBondContact NE2-OE1 2.68Å; L455-Q458 PolarHBondContact O-N 3.13Å
459	T	92.5	Very high	95	Very high	44 Å²	44	46.6 Å²	46.6	27%	0.27	22%	0.221	S	C	.	.			trans	-120.1	85.4	167.6	-58.4	0	0	0	0	108.4	S258	S258-T459 WeakPolarHBondContact OG-CB 3.48Å; S258-T459 WeakPolarHBondContact OG-CG2 3.37Å
460	P	95.7	Very high	95	Very high	4 Å²	4	50.7 Å²	50.7	3%	0.026	24%	0.243	C	C	.	.			trans	-57.3	143.7	-171.1	-27.4	35.5	0	0	0	113.3	R359 F463 L479	R359-P460 WeakPolarHBondContact CD-O 3.28Å; R359-P460 PolarHBondContact NH1-O 3.27Å; P460-F463 HydrophobicContact CB-CD2 4.36Å; P460-F463 HydrophobicContact CB-CE2 3.46Å; P460-F463 VanDerWaalsContact CB-CE2 3.46Å; P460-F463 HydrophobicContact CB-CZ 3.63Å; P460-F463 HydrophobicContact CG-CE2 3.78Å; P460-F463 HydrophobicContact CG-CZ 3.59Å; P460-L479 HydrophobicContact CB-CD2 4.18Å; P460-L479 WeakPolarHBondContact O-CD2 3.5Å
461	I	97	Very high	95.1	Very high	1 Å²	1	51 Å²	51	1%	0.005	25%	0.246	C	C	.	.	S	Bend	trans	-92.7	-42.4	171.1	-74.9	172.9	0	0	0	110.2	I355 S356 R359 L360 L363 L441 F442 L479	I355-I461 CarbonylContact C-O 3.53Å; I355-I461 VanDerWaalsContact CA-O 3.28Å; I355-I461 WeakPolarHBondContact CA-O 3.34Å; I355-I461 HydrophobicContact CD1-CG2 4.01Å; I355-I461 HydrophobicContact CG1-CG2 3.81Å; I355-I461 WeakPolarHBondContact CG1-O 3.09Å; S356-I461 PolarHBondContact N-O 2.62Å; R359-I461 HydrophobicContact CB-CG1 3.86Å; L360-I461 HydrophobicContact CB-CG2 4.25Å; L363-I461 HydrophobicContact CB-CD1 3.8Å; L363-I461 HydrophobicContact CD2-CD1 3.31Å; L363-I461 HydrophobicContact CG-CD1 4.16Å; L441-I461 HydrophobicContact CB-CB 4.14Å; L441-I461 HydrophobicContact CB-CD1 3.88Å; L441-I461 HydrophobicContact CB-CG1 3.9Å; L441-I461 HydrophobicContact CD1-CD1 3.88Å; L441-I461 HydrophobicContact CD1-CG1 4.26Å; L441-I461 WeakPolarHBondContact O-CA 3.25Å; L441-I461 PolarHBondContact O-N 2.99Å; F442-I461 HydrophobicContact CD2-CB 4.45Å; F442-I461 HydrophobicContact CD2-CG2 4.5Å; F442-I461 HydrophobicContact CE1-CG2 4.11Å; F442-I461 HydrophobicContact CE2-CB 4.35Å; F442-I461 HydrophobicContact CE2-CD1 3.89Å; F442-I461 HydrophobicContact CE2-CG2 4.1Å; F442-I461 HydrophobicContact CZ-CD1 4.46Å; F442-I461 HydrophobicContact CZ-CG2 3.9Å; I461-L479 WeakPolarHBondContact O-CD2 3.23Å
462	S	98.4	Very high	95.1	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	162.6	-177.9	62.7	0	0	0	0	113.7	L354 G395 L441 F442 H443	L354-S462 CarbonylContact O-C 3.59Å; L354-S462 WeakPolarHBondContact O-CA 3.27Å; L354-S462 WeakPolarHBondContact O-CB 3.3Å; G395-S462 VanDerWaalsContact O-CB 3.23Å; G395-S462 WeakPolarHBondContact O-CB 3.49Å; G395-S462 PolarHBondContact O-OG 2.86Å; L441-S462 PolarHBondContact O-N 3.15Å; F442-S462 WeakPolarHBondContact CA-OG 3.43Å; H443-S462 VanDerWaalsContact CB-O 3.28Å; H443-S462 WeakPolarHBondContact CB-O 3.47Å; H443-S462 PolarHBondContact N-O 2.69Å; H443-S462 PolarHBondContact N-OG 3.24Å; H443-S462 PolarHBondContact ND1-O 3.11Å
463	F	98.5	Very high	95.2	Very high	3 Å²	3	47 Å²	47	1%	0.013	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	157.2	168.4	-72.1	-72.8	0	0	0	110.2	L354 H443 P447 Y450 L455 P460 W478 L479	L354-F463 PolarHBondContact N-O 2.84Å; L354-F463 PolarHBondContact O-N 3.34Å; H443-F463 HydrophobicContact CB-CD1 3.56Å; H443-F463 HydrophobicContact CB-CE1 3.9Å; H443-F463 HydrophobicContact CB-CG 4.37Å; H443-F463 AromaticContact CG-CD1 3.85Å; H443-F463 AromaticContact CG-CE1 3.65Å; H443-F463 AromaticContact ND1-CE1 3.78Å; H443-F463 CarbonylContact O-C 3.59Å; H443-F463 VanDerWaalsContact O-CA 3.28Å; H443-F463 WeakPolarHBondContact O-CA 3.47Å; P447-F463 HydrophobicContact CB-CD1 4.33Å; P447-F463 HydrophobicContact CB-CE1 4Å; P447-F463 HydrophobicContact CB-CZ 4.14Å; P447-F463 HydrophobicContact CG-CB 4.48Å; P447-F463 HydrophobicContact CG-CD1 3.75Å; P447-F463 HydrophobicContact CG-CD2 3.93Å; P447-F463 HydrophobicContact CG-CE1 3.86Å; P447-F463 HydrophobicContact CG-CE2 4.02Å; P447-F463 HydrophobicContact CG-CG 3.79Å; P447-F463 HydrophobicContact CG-CZ 3.98Å; Y450-F463 HydrophobicContact CD2-CE1 4.34Å; Y450-F463 HydrophobicContact CE2-CD1 4.46Å; Y450-F463 HydrophobicContact CE2-CE1 4.44Å; L455-F463 HydrophobicContact CD1-CE1 4.14Å; L455-F463 HydrophobicContact CD1-CZ 4.12Å; L455-F463 HydrophobicContact CD2-CE1 4.17Å; L455-F463 HydrophobicContact CD2-CZ 4.14Å; P460-F463 HydrophobicContact CB-CD2 4.36Å; P460-F463 HydrophobicContact CB-CE2 3.46Å; P460-F463 VanDerWaalsContact CB-CE2 3.46Å; P460-F463 HydrophobicContact CB-CZ 3.63Å; P460-F463 HydrophobicContact CG-CE2 3.78Å; P460-F463 HydrophobicContact CG-CZ 3.59Å; F463-W478 HydrophobicContact CD2-CB 4.29Å; F463-W478 HydrophobicContact CE2-CB 3.81Å; F463-W478 HydrophobicContact CE2-CD2 4.3Å; F463-W478 HydrophobicContact CE2-CE3 4.47Å; F463-W478 HydrophobicContact CE2-CG 4.06Å; F463-L479 HydrophobicContact CD2-CD1 4.26Å; F463-L479 HydrophobicContact CD2-CD2 4.08Å; F463-L479 HydrophobicContact CD2-CG 4.24Å; F463-L479 HydrophobicContact CE2-CD2 4.24Å
464	H	97.9	Very high	95.3	Very high	21 Å²	21	43.7 Å²	43.7	10%	0.097	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	138.4	177.6	165.6	-87.5	0	0	0	110.2	D352 G394 H443 Q444 A445 R446	D352-H464 IonicContact OD1-CD2 2.62Å; D352-H464 PolarHBondContact OD1-CD2 3.44Å; D352-H464 IonicContact OD1-NE2 3.58Å; D352-H464 PolarHBondContact OD1-NE2 2.86Å; D352-H464 IonicContact OD2-NE2 3.01Å; G394-H464 WeakPolarHBondContact O-CB 3.46Å; H443-H464 PolarHBondContact O-N 3.47Å; Q444-H464 PolarHBondContact O-ND1 3.16Å; A445-H464 CarbonylContact C-O 3.51Å; A445-H464 WeakPolarHBondContact CA-O 3.22Å; A445-H464 PolarHBondContact N-O 2.96Å; A445-H464 PolarHBondContact O-N 3.49Å; R446-H464 PolarHBondContact N-O 2.98Å
465	K	94.1	Very high	95.4	Very high	87 Å²	87	43 Å²	43	38%	0.378	22%	0.224	S	C	.	.			cis	-127.7	176.2	5.6	45.4	-176.6	176.9	-167	0	109.9	D352 W467 I469	D352-K465 HydrophobicContact CB-CB 3.91Å; D352-K465 WeakPolarHBondContact O-CA 3.45Å; D352-K465 VanDerWaalsContact OD2-CB 3.24Å; D352-K465 WeakPolarHBondContact OD2-CB 3.18Å; K465-W467 HydrophobicContact CD-CB 4.27Å; K465-W467 HydrophobicContact CG-CB 3.87Å; K465-W467 PolarHBondContact O-N 3.06Å; K465-I469 WeakPolarHBondContact O-CD1 3.36Å
466	H	94.2	Very high	95.5	Very high	30 Å²	30	46.3 Å²	46.3	14%	0.139	24%	0.242	C	C	.	.			trans	-60.4	10.4	175.3	-57.8	172.7	0	0	0	115.6	D351 D352 P471	D351-H466 PolarHBondContact O-CE1 3.4Å; D352-H466 HydrophobicContact CB-CB 4.21Å; D352-H466 PolarHBondContact O-CD2 2.93Å; H466-P471 HydrophobicContact CB-CB 4.2Å; H466-P471 HydrophobicContact CB-CG 4.22Å; H466-P471 WeakPolarHBondContact CD2-CB 3.45Å
467	W	92	Very high	95.6	Very high	168 Å²	168	49.7 Å²	49.7	64%	0.636	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79	127.8	-176.3	-177.7	-103.9	0	0	0	111.9	R446 K465 I469	R446-W467 WeakPolarHBondContact CD-O 3.49Å; K465-W467 HydrophobicContact CD-CB 4.27Å; K465-W467 HydrophobicContact CG-CB 3.87Å; K465-W467 PolarHBondContact O-N 3.06Å; W467-I469 PolarHBondContact O-N 3.44Å; W467-I469 VanDerWaalsContact O-N 3.14Å
468	N	92.6	Very high	95.8	Very high	124 Å²	124	50.5 Å²	50.5	66%	0.663	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	53	30.3	178.4	-71.6	-4.5	0	0	0	114.5
469	I	95	Very high	96	Very high	35 Å²	35	49.4 Å²	49.4	18%	0.179	24%	0.242	C	C	.	.	S	Bend	trans	-137.8	161.5	176.4	60.5	163.8	0	0	0	110.3	R446 K465 W467 P471 V474	R446-I469 HydrophobicContact CG-CG2 4.47Å; K465-I469 WeakPolarHBondContact O-CD1 3.36Å; W467-I469 PolarHBondContact O-N 3.44Å; W467-I469 VanDerWaalsContact O-N 3.14Å; I469-P471 HydrophobicContact CD1-CB 4.49Å; I469-P471 VanDerWaalsContact O-CD 3.29Å; I469-P471 WeakPolarHBondContact O-CD 3.47Å; I469-V474 HydrophobicContact CB-CG2 4.15Å; I469-V474 HydrophobicContact CD1-CB 4.26Å; I469-V474 HydrophobicContact CD1-CG1 4.4Å; I469-V474 HydrophobicContact CD1-CG2 3.89Å
470	D	97.6	Very high	96.1	Very high	96 Å²	96	51.7 Å²	51.7	51%	0.513	25%	0.248	S	C	.	.			trans	-87.3	105.4	158.1	176.1	-14.1	0	0	0	108.1	I472 A473 V474	D470-I472 VanDerWaalsContact C-N 3.26Å; D470-I472 PolarHBondContact O-N 3.49Å; D470-I472 WeakPolarHBondContact OD1-CB 3.28Å; D470-I472 PolarHBondContact OD1-N 3.07Å; D470-A473 HydrophobicContact CB-CB 3.81Å; D470-A473 PolarHBondContact O-N 2.97Å; D470-A473 PolarHBondContact OD1-N 2.63Å; D470-V474 WeakPolarHBondContact O-CG2 3.43Å; D470-V474 PolarHBondContact O-N 2.88Å
471	P	97.6	Very high	95.1	Very high	17 Å²	17	53.3 Å²	53.3	11%	0.11	26%	0.257	C	S	.	.	H	α-helix	trans	-68.4	-25.4	-174.5	29.5	-37	0	0	0	113.2	V287 L354 H466 I469 F475	V287-P471 HydrophobicContact CG1-CB 3.88Å; V287-P471 HydrophobicContact CG1-CG 3.81Å; V287-P471 HydrophobicContact CG2-CG 3.99Å; L354-P471 HydrophobicContact CD1-CB 4.05Å; L354-P471 VanDerWaalsContact CD1-O 3.29Å; L354-P471 WeakPolarHBondContact CD1-O 3.35Å; L354-P471 HydrophobicContact CD2-CB 4.23Å; H466-P471 HydrophobicContact CB-CB 4.2Å; H466-P471 HydrophobicContact CB-CG 4.22Å; H466-P471 WeakPolarHBondContact CD2-CB 3.45Å; I469-P471 HydrophobicContact CD1-CB 4.49Å; I469-P471 VanDerWaalsContact O-CD 3.29Å; I469-P471 WeakPolarHBondContact O-CD 3.47Å; P471-F475 VanDerWaalsContact O-CB 3.32Å; P471-F475 WeakPolarHBondContact O-CB 3.46Å; P471-F475 PolarHBondContact O-N 3.44Å
472	I	97.3	Very high	93.2	Very high	57 Å²	57	59.3 Å²	59.3	29%	0.292	29%	0.285	S	S	.	.	H	α-helix	trans	-73.6	-43.8	176.2	-63.2	176	0	0	0	109.4	V287 K290 T291 D470 F475 N476	V287-I472 HydrophobicContact CG1-CG1 4.33Å; K290-I472 HydrophobicContact CB-CD1 4.4Å; K290-I472 HydrophobicContact CD-CD1 3.9Å; T291-I472 HydrophobicContact CG2-CG1 4.14Å; D470-I472 VanDerWaalsContact C-N 3.26Å; D470-I472 PolarHBondContact O-N 3.49Å; D470-I472 WeakPolarHBondContact OD1-CB 3.28Å; D470-I472 PolarHBondContact OD1-N 3.07Å; I472-F475 PolarHBondContact O-N 2.74Å; I472-N476 WeakPolarHBondContact O-CB 3.21Å; I472-N476 VanDerWaalsContact O-CG 3.27Å; I472-N476 PolarHBondContact O-N 3.33Å; I472-N476 PolarHBondContact O-ND2 3.33Å; I472-N476 VanDerWaalsContact O-ND2 3.12Å
473	A	97.6	Very high	90.8	Very high	46 Å²	46	68.1 Å²	68.1	38%	0.38	32%	0.323	S	S	.	.	H	α-helix	trans	-62.1	-43.8	174.8	0	0	0	0	0	111.5	D470 N476 K477	D470-A473 HydrophobicContact CB-CB 3.81Å; D470-A473 PolarHBondContact O-N 2.97Å; D470-A473 PolarHBondContact OD1-N 2.63Å; A473-N476 PolarHBondContact O-N 3.16Å; A473-K477 VanDerWaalsContact O-CB 3.32Å; A473-K477 WeakPolarHBondContact O-CB 3.47Å; A473-K477 PolarHBondContact O-N 3.32Å
474	V	97.3	Very high	88.1	Confident	11 Å²	11	72.8 Å²	72.8	7%	0.067	35%	0.345	C	S	.	.	H	α-helix	trans	-60.2	-48	175.6	167.1	0	0	0	0	111.1	L354 P447 I469 D470 N476 K477 W478	L354-V474 HydrophobicContact CD1-CB 4.01Å; L354-V474 HydrophobicContact CD1-CG1 3.64Å; P447-V474 HydrophobicContact CG-CG1 3.82Å; I469-V474 HydrophobicContact CB-CG2 4.15Å; I469-V474 HydrophobicContact CD1-CB 4.26Å; I469-V474 HydrophobicContact CD1-CG1 4.4Å; I469-V474 HydrophobicContact CD1-CG2 3.89Å; D470-V474 WeakPolarHBondContact O-CG2 3.43Å; D470-V474 PolarHBondContact O-N 2.88Å; V474-N476 PolarHBondContact O-N 3.3Å; V474-K477 PolarHBondContact O-N 2.96Å; V474-W478 WeakPolarHBondContact O-CB 3.49Å; V474-W478 PolarHBondContact O-N 3.5Å
475	F	97.5	Very high	85	Confident	10 Å²	10	76.3 Å²	76.3	4%	0.044	37%	0.368	C	S	.	.	I	π-helix	trans	-57.9	-47.7	176.5	176.6	-99.5	0	0	0	112.2	T291 W292 L354 I355 P471 I472 K477 L479 K480	T291-F475 HydrophobicContact CG2-CB 3.87Å; T291-F475 HydrophobicContact CG2-CD1 3.74Å; T291-F475 HydrophobicContact CG2-CE1 4.46Å; T291-F475 HydrophobicContact CG2-CG 3.79Å; W292-F475 HydrophobicContact CB-CE2 3.68Å; W292-F475 HydrophobicContact CB-CZ 3.97Å; W292-F475 HydrophobicContact CG-CE2 4.47Å; L354-F475 HydrophobicContact CD1-CB 4.43Å; L354-F475 HydrophobicContact CD2-CB 4.31Å; I355-F475 WeakPolarHBondContact O-CE2 3.42Å; P471-F475 VanDerWaalsContact O-CB 3.32Å; P471-F475 WeakPolarHBondContact O-CB 3.46Å; P471-F475 PolarHBondContact O-N 3.44Å; I472-F475 PolarHBondContact O-N 2.74Å; F475-K477 PolarHBondContact O-N 3.47Å; F475-L479 HydrophobicContact CD2-CB 3.7Å; F475-L479 HydrophobicContact CD2-CD1 4.07Å; F475-L479 HydrophobicContact CE2-CB 3.87Å; F475-L479 HydrophobicContact CG-CB 4.49Å; F475-L479 CarbonylContact O-C 3.53Å; F475-L479 WeakPolarHBondContact O-CA 3.39Å; F475-L479 PolarHBondContact O-N 2.68Å; F475-K480 HydrophobicContact CE1-CB 4.22Å; F475-K480 HydrophobicContact CE1-CG 4.48Å; F475-K480 PolarHBondContact O-N 3.48Å
476	N	96.7	Very high	82	Confident	74 Å²	74	79.4 Å²	79.4	40%	0.396	38%	0.384	S	S	.	.	I	π-helix	trans	-63.8	-40.7	-179.6	-72.5	-34.3	0	0	0	112.3	I472 A473 V474	I472-N476 WeakPolarHBondContact O-CB 3.21Å; I472-N476 VanDerWaalsContact O-CG 3.27Å; I472-N476 PolarHBondContact O-N 3.33Å; I472-N476 PolarHBondContact O-ND2 3.33Å; I472-N476 VanDerWaalsContact O-ND2 3.12Å; A473-N476 PolarHBondContact O-N 3.16Å; V474-N476 PolarHBondContact O-N 3.3Å
477	K	95.7	Very high	79	Confident	154 Å²	154	80.3 Å²	80.3	67%	0.67	40%	0.401	S	S	*	.	I	π-helix	trans	-69.3	-46.1	180	177.7	179.4	171.9	-172.7	0	112.1	A473 V474 F475	A473-K477 VanDerWaalsContact O-CB 3.32Å; A473-K477 WeakPolarHBondContact O-CB 3.47Å; A473-K477 PolarHBondContact O-N 3.32Å; V474-K477 PolarHBondContact O-N 2.96Å; F475-K477 PolarHBondContact O-N 3.47Å
478	W	95.3	Very high	76.3	Confident	55 Å²	55	78 Å²	78	21%	0.208	40%	0.401	C	S	.	.	I	π-helix	trans	-103.4	-34.9	-165.6	-70.2	105	0	0	0	114.1	R359 P447 L455 F463 V474	R359-W478 VanDerWaalsContact CZ-O 3.32Å; R359-W478 PolarHBondContact NH1-O 3.03Å; R359-W478 PolarHBondContact NH2-O 2.96Å; R359-W478 VanDerWaalsContact NH2-O 3.09Å; P447-W478 HydrophobicContact CB-CD2 4.46Å; P447-W478 HydrophobicContact CB-CZ2 4Å; P447-W478 HydrophobicContact CG-CG 4.33Å; L455-W478 HydrophobicContact CB-CH2 4.02Å; L455-W478 HydrophobicContact CB-CZ3 4.03Å; L455-W478 HydrophobicContact CD1-CH2 3.99Å; L455-W478 HydrophobicContact CD1-CZ2 4.39Å; L455-W478 HydrophobicContact CD1-CZ3 4.34Å; F463-W478 HydrophobicContact CD2-CB 4.29Å; F463-W478 HydrophobicContact CE2-CB 3.81Å; F463-W478 HydrophobicContact CE2-CD2 4.3Å; F463-W478 HydrophobicContact CE2-CE3 4.47Å; F463-W478 HydrophobicContact CE2-CG 4.06Å; V474-W478 WeakPolarHBondContact O-CB 3.49Å; V474-W478 PolarHBondContact O-N 3.5Å
479	L	96.1	Very high	73.4	Confident	0 Å²	0	79 Å²	79	0%	0	40%	0.401	C	S	.	.	I	π-helix	trans	-117.7	-20	-162.7	-62.3	178	0	0	0	114.2	L354 S356 P460 I461 F463 F475 N481	L354-L479 VanDerWaalsContact C-CD1 3.47Å; L354-L479 HydrophobicContact CB-CD1 3.57Å; L354-L479 WeakPolarHBondContact O-CD1 3.38Å; S356-L479 VanDerWaalsContact CB-O 3.25Å; S356-L479 WeakPolarHBondContact CB-O 3.5Å; S356-L479 PolarHBondContact OG-O 2.71Å; P460-L479 HydrophobicContact CB-CD2 4.18Å; P460-L479 WeakPolarHBondContact O-CD2 3.5Å; I461-L479 WeakPolarHBondContact O-CD2 3.23Å; F463-L479 HydrophobicContact CD2-CD1 4.26Å; F463-L479 HydrophobicContact CD2-CD2 4.08Å; F463-L479 HydrophobicContact CD2-CG 4.24Å; F463-L479 HydrophobicContact CE2-CD2 4.24Å; F475-L479 HydrophobicContact CD2-CB 3.7Å; F475-L479 HydrophobicContact CD2-CD1 4.07Å; F475-L479 HydrophobicContact CE2-CB 3.87Å; F475-L479 HydrophobicContact CG-CB 4.49Å; F475-L479 CarbonylContact O-C 3.53Å; F475-L479 WeakPolarHBondContact O-CA 3.39Å; F475-L479 PolarHBondContact O-N 2.68Å; L479-N481 PolarHBondContact O-N 2.85Å
480	K	93.6	Very high	70.5	Confident	92 Å²	92	85 Å²	85	40%	0.4	43%	0.426	S	S	.	.			trans	-70.8	120.4	176.6	-167	-178.6	177.9	-158.6	0	110.4	F475 E482	F475-K480 HydrophobicContact CE1-CB 4.22Å; F475-K480 HydrophobicContact CE1-CG 4.48Å; F475-K480 PolarHBondContact O-N 3.48Å; K480-E482 HydrophobicContact CD-CG 4.1Å; K480-E482 WeakPolarHBondContact CD-OE1 3.38Å; K480-E482 VanDerWaalsContact CE-OE1 3.26Å; K480-E482 WeakPolarHBondContact CE-OE1 3.41Å; K480-E482 HydrophobicContact CG-CG 4.09Å; K480-E482 IonicContact NZ-OE1 3.96Å; K480-E482 PolarHBondContact NZ-OE1 3.28Å; K480-E482 PolarHBondContact O-N 3.33Å
481	N	74.3	Confident	67.4	Low	39 Å²	39	84 Å²	84	21%	0.209	43%	0.427	C	S	.	.			trans	-77	85.5	177.3	-85.9	-4.9	0	0	0	110.9	P358 R359 L479	P358-N481 WeakPolarHBondContact CB-ND2 3.45Å; R359-N481 PolarHBondContact NE-OD1 3.26Å; R359-N481 PolarHBondContact NH2-OD1 3.39Å; L479-N481 PolarHBondContact O-N 2.85Å
482	E	57.9	Low	64.4	Low	126 Å²	126	87.4 Å²	87.4	59%	0.589	45%	0.448	S	S	*	.	S	Bend	trans	-89.8	-15.9	171.4	-64.1	-168.7	163.8	0	0	112.8	K480	K480-E482 HydrophobicContact CD-CG 4.1Å; K480-E482 WeakPolarHBondContact CD-OE1 3.38Å; K480-E482 VanDerWaalsContact CE-OE1 3.26Å; K480-E482 WeakPolarHBondContact CE-OE1 3.41Å; K480-E482 HydrophobicContact CG-CG 4.09Å; K480-E482 IonicContact NZ-OE1 3.96Å; K480-E482 PolarHBondContact NZ-OE1 3.28Å; K480-E482 PolarHBondContact O-N 3.33Å
483	K	47.7	Very low	61.6	Low	186 Å²	186	93.2 Å²	93.2	81%	0.809	47%	0.471	S	S	*	.	S	Bend	trans	-106.5	-11.5	-171.1	-69.1	-173.2	177.1	-179.2	0	117
484	H	42.4	Very low	58.8	Low	100 Å²	100	99.3 Å²	99.3	46%	0.463	49%	0.491	S	S	.	.	S	Bend	trans	-83.9	-16.4	-176.7	-101.5	-77.8	0	0	0	114.6
485	T	33	Very low	55.8	Low	96 Å²	96	107.2 Å²	107.2	59%	0.589	53%	0.528	S	S	*	.	H	α-helix	trans	-77.8	-22.5	-179.6	-12.6	0	0	0	0	113.3
486	E	30.5	Very low	52.7	Low	151 Å²	151	116.8 Å²	116.8	71%	0.706	58%	0.578	S	S	*	*	H	α-helix	trans	-79.5	-25.1	178.9	-68.4	-171.9	163.1	0	0	113.1
487	G	32.2	Very low	50.5	Low	49 Å²	49	119 Å²	119	51%	0.505	59%	0.587	S	S	.	*	H	α-helix	trans	-76.7	-40.8	179.4	0	0	0	0	0	113.6	Q489 K490	G487-Q489 VanDerWaalsContact C-N 3.35Å; G487-Q489 PolarHBondContact O-N 3.01Å; G487-K490 PolarHBondContact O-N 2.73Å
488	L	34.5	Very low	48.1	Very low	119 Å²	119	117.1 Å²	117.1	62%	0.623	58%	0.583	S	S	*	*	H	α-helix	trans	-69.1	-30.7	178.8	-94.7	94	0	0	0	112.8	K490 T492	L488-K490 VanDerWaalsContact C-N 3.29Å; L488-K490 PolarHBondContact O-N 2.81Å; L488-T492 PolarHBondContact O-OG1 3.27Å
489	Q	31.5	Very low	45.5	Very low	145 Å²	145	120.6 Å²	120.6	68%	0.678	60%	0.604	S	S	*	*	H	α-helix	trans	-75	-16.3	178.4	-75.8	-171.6	-6.5	0	0	114.1	G487	G487-Q489 VanDerWaalsContact C-N 3.35Å; G487-Q489 PolarHBondContact O-N 3.01Å
490	K	34.3	Very low	42.5	Very low	161 Å²	161	127.6 Å²	127.6	70%	0.7	64%	0.639	S	S	*	*	H	α-helix	trans	-86.6	-35.8	176.6	-83.3	-176.4	175.2	178.3	0	113	G487 L488 T492 K493	G487-K490 PolarHBondContact O-N 2.73Å; L488-K490 VanDerWaalsContact C-N 3.29Å; L488-K490 PolarHBondContact O-N 2.81Å; K490-T492 PolarHBondContact O-N 3.24Å; K490-K493 PolarHBondContact O-N 3.23Å
491	S	33.1	Very low	39.3	Very low	75 Å²	75	129.9 Å²	129.9	52%	0.524	65%	0.654	S	S	.	*	H	α-helix	trans	-71.7	-29.2	179.8	75.5	0	0	0	0	113.1	K493	S491-K493 VanDerWaalsContact C-N 3.32Å; S491-K493 PolarHBondContact O-N 3.25Å
492	T	34.6	Very low	37	Very low	90 Å²	90	135.9 Å²	135.9	55%	0.552	68%	0.684	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.7	-8.5	179.6	-15.1	0	0	0	0	114.2	L488 K490	L488-T492 PolarHBondContact O-OG1 3.27Å; K490-T492 PolarHBondContact O-N 3.24Å
493	K	36.9	Very low	35.5	Very low	178 Å²	178	136.6 Å²	136.6	77%	0.774	69%	0.691	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.9	-5.2	178.5	-91.7	-174.4	174.5	-179.2	0	114.2	K490 S491	K490-K493 PolarHBondContact O-N 3.23Å; S491-K493 VanDerWaalsContact C-N 3.32Å; S491-K493 PolarHBondContact O-N 3.25Å
494	E	39.4	Very low	34.6	Very low	174 Å²	174	132.8 Å²	132.8	81%	0.813	68%	0.682	S	S	*	*	S	Bend	trans	-105	-0.2	176.3	-71.4	-179.4	165.2	0	0	112.9
495	E	34.3	Very low	33.9	Very low	177 Å²	177	135.6 Å²	135.6	83%	0.827	70%	0.7	S	S	*	*			trans	-117.4	16.1	178.3	-70.5	-171.5	157.7	0	0	114.9
496	L	32.8	Very low	34	Very low	212 Å²	212	139.2 Å²	139.2	100%	1.11	71%	0.71	S	S	*	*			trans	-127.6	0	169.9	-89.2	155	0	0	0	109.2

Retrieved 496 of 496 residues in 660.3 ms (Link to these results)

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