A0A087XGV1_POEFO Loading...

Protein disulfide-isomerase A4

AlphaFold DB , UniProt , Accession A0A087XGV1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 641 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	29.6	Very low	31.5	Very low	241 Å²	241	157.5 Å²	157.5	100%	1.187	82%	0.817	S	S	*	*				0	118.7	0	-85.4	-179	-89.5	0	0	108.2
2	R	32.2	Very low	31	Very low	223 Å²	223	158.6 Å²	158.6	84%	0.842	82%	0.823	S	S	*	*			trans	33.3	136.4	152	-65.5	-171.7	169.7	172.3	-1.9	119.6
3	K	36.1	Very low	30.7	Very low	164 Å²	164	152.3 Å²	152.3	71%	0.713	82%	0.821	S	S	*	*			cis	-178.3	139.8	9.5	-109.9	-177	177.3	-169.8	0	108.8
4	V	39.9	Very low	30.7	Very low	136 Å²	136	152.1 Å²	152.1	82%	0.824	83%	0.827	S	S	*	*				66.8	135.9	126.1	178.5	0	0	0	0	117.4
5	A	36.9	Very low	30.4	Very low	79 Å²	79	147.9 Å²	147.9	65%	0.653	82%	0.821	S	S	*	*			cis	-153.9	176.7	24.9	0	0	0	0	0	109
6	L	28.9	Very low	30.3	Very low	171 Å²	171	149.8 Å²	149.8	90%	0.895	82%	0.821	S	S	*	*			cis	-166.5	153.3	29.5	-145.8	123.1	0	0	0	107.9
7	L	29.4	Very low	30	Very low	136 Å²	136	153.8 Å²	153.8	71%	0.712	83%	0.829	S	S	*	*			trans	-135	139.6	-167.8	-155.9	135.9	0	0	0	108.3
8	L	28.1	Very low	29.9	Very low	163 Å²	163	149.1 Å²	149.1	85%	0.853	82%	0.815	S	S	*	*				173	143.3	126.1	-94.3	158.7	0	0	0	115.2
9	I	33.6	Very low	29.7	Very low	132 Å²	132	148 Å²	148	68%	0.677	81%	0.814	S	S	*	*			trans	-107.2	149.4	-172.1	-69.9	160.2	0	0	0	108.8
10	V	25.2	Very low	29.5	Very low	149 Å²	149	146.7 Å²	146.7	90%	0.903	81%	0.81	S	S	*	*			trans	-144.3	136.6	148.3	-178.8	0	0	0	0	111.1
11	L	26.4	Very low	29.3	Very low	139 Å²	139	146.4 Å²	146.4	73%	0.728	82%	0.816	S	S	*	*			trans	-116.4	158.2	175.7	-114	162.1	0	0	0	109.7
12	L	25.8	Very low	29	Very low	170 Å²	170	143.7 Å²	143.7	89%	0.89	79%	0.793	S	S	*	*			trans	85.1	133.9	152.1	-75.7	152.8	0	0	0	121.9
13	G	26.6	Very low	28.7	Very low	77 Å²	77	139.5 Å²	139.5	79%	0.794	80%	0.797	S	S	*	*			trans	162.3	92.7	150.5	0	0	0	0	0	116.4
14	V	31.2	Very low	28.3	Very low	149 Å²	149	137.6 Å²	137.6	90%	0.903	79%	0.79	S	S	*	*			trans	-111.1	126.5	162.5	174.9	0	0	0	0	107.8
15	A	26.8	Very low	27.8	Very low	90 Å²	90	139.2 Å²	139.2	74%	0.744	79%	0.789	S	S	*	*			trans	174.5	120.6	144.9	0	0	0	0	0	113.7
16	H	28.1	Very low	27.3	Very low	178 Å²	178	142 Å²	142	82%	0.824	79%	0.793	S	S	*	*			trans	27.4	131.8	137.6	-82.1	63.7	0	0	0	122.5
17	F	26.2	Very low	27.2	Very low	217 Å²	217	138.9 Å²	138.9	95%	0.952	79%	0.791	S	S	*	*			trans	-146.4	144.6	138.3	-122	-88.5	0	0	0	110.8
18	A	27.1	Very low	27.1	Very low	70 Å²	70	140.8 Å²	140.8	58%	0.579	80%	0.797	S	S	*	*			trans	-117.5	156.8	-169.7	0	0	0	0	0	112.6
19	T	25.8	Very low	27	Very low	128 Å²	128	140.7 Å²	140.7	79%	0.785	79%	0.792	S	S	*	*			trans	79.8	127	144.6	-3.9	0	0	0	0	122
20	V	26.5	Very low	26.6	Very low	122 Å²	122	141.9 Å²	141.9	74%	0.739	80%	0.799	S	S	*	*				132.4	112.4	124	-174.8	0	0	0	0	113.2
21	C	24.6	Very low	26.7	Very low	140 Å²	140	144.1 Å²	144.1	95%	0.946	80%	0.797	S	S	*	*			trans	-148.5	125	130.1	-103.2	0	0	0	0	109.1
22	R	23.9	Very low	26.7	Very low	184 Å²	184	142 Å²	142	69%	0.694	80%	0.8	S	S	*	*			trans	-129.2	131.3	176.3	-172	-176.5	-176.4	158.8	6.8	104.8	E24	R22-E24 IonicContact CZ-OE1 3.5Å; R22-E24 IonicContact CZ-OE2 3.46Å; R22-E24 IonicContact NE-OE1 3.42Å; R22-E24 PolarHBondContact NE-OE1 2.64Å; R22-E24 IonicContact NE-OE2 2.86Å; R22-E24 PolarHBondContact NE-OE2 3.03Å; R22-E24 IonicContact NH2-OE1 2.74Å; R22-E24 PolarHBondContact NH2-OE1 3.47Å; R22-E24 IonicContact NH2-OE2 3.41Å; R22-E24 PolarHBondContact NH2-OE2 3.48Å
23	C	24.8	Very low	26.8	Very low	136 Å²	136	143.6 Å²	143.6	92%	0.919	80%	0.803	S	S	*	*			trans	-146.1	109.4	148.5	-83.1	0	0	0	0	106.8
24	E	28.1	Very low	26.9	Very low	123 Å²	123	144.5 Å²	144.5	58%	0.575	80%	0.803	S	S	*	*			trans	-63.8	159.8	156.2	-73.3	145.3	147.4	0	0	108.9	R22	R22-E24 IonicContact CZ-OE1 3.5Å; R22-E24 IonicContact CZ-OE2 3.46Å; R22-E24 IonicContact NE-OE1 3.42Å; R22-E24 PolarHBondContact NE-OE1 2.64Å; R22-E24 IonicContact NE-OE2 2.86Å; R22-E24 PolarHBondContact NE-OE2 3.03Å; R22-E24 IonicContact NH2-OE1 2.74Å; R22-E24 PolarHBondContact NH2-OE1 3.47Å; R22-E24 IonicContact NH2-OE2 3.41Å; R22-E24 PolarHBondContact NH2-OE2 3.48Å
25	E	30.2	Very low	26.8	Very low	170 Å²	170	141.9 Å²	141.9	79%	0.794	80%	0.796	S	S	*	*				176.2	158.6	75.2	-85.1	176.5	171.8	0	0	104
26	D	26.9	Very low	26.8	Very low	138 Å²	138	145.9 Å²	145.9	74%	0.738	81%	0.805	S	S	*	*			cis	-173.8	155.9	-2.5	-94.4	-25.3	0	0	0	104.8
27	A	26.8	Very low	26.9	Very low	105 Å²	105	146.2 Å²	146.2	87%	0.868	81%	0.807	S	S	*	*			trans	155.3	129.7	131.7	0	0	0	0	0	112.8
28	E	25.4	Very low	27.3	Very low	177 Å²	177	144.1 Å²	144.1	83%	0.827	81%	0.806	S	S	*	*			trans	-70	166.8	-170.3	-81.4	170.2	145.2	0	0	118.4
29	E	26.7	Very low	27.4	Very low	161 Å²	161	145.5 Å²	145.5	75%	0.752	81%	0.811	S	S	*	*			trans	82.1	105.6	143.5	-85	179.7	176.6	0	0	121
30	N	25.9	Very low	28	Very low	156 Å²	156	147.1 Å²	147.1	83%	0.834	82%	0.815	S	S	*	*				-172.4	152.1	97.7	-104.2	-48.8	0	0	0	115
31	K	26.7	Very low	28.2	Very low	197 Å²	197	147.8 Å²	147.8	86%	0.857	81%	0.814	S	S	*	*			trans	-76.7	155.4	-177.5	-73.1	169.3	167.7	175.7	0	114.8
32	A	25.8	Very low	28.6	Very low	94 Å²	94	149.6 Å²	149.6	78%	0.777	81%	0.809	S	S	*	*				157.3	112.6	128.4	0	0	0	0	0	108.6
33	E	29.2	Very low	29.1	Very low	204 Å²	204	149.7 Å²	149.7	95%	0.953	82%	0.818	S	S	*	*				51	108.9	85.9	-83	-172.7	-179.4	0	0	115.7
34	A	27.5	Very low	29.4	Very low	96 Å²	96	152 Å²	152	79%	0.793	82%	0.815	S	S	*	*			trans	-158	111.7	149.5	0	0	0	0	0	104.6
35	A	29	Very low	29.7	Very low	93 Å²	93	153.6 Å²	153.6	77%	0.769	82%	0.822	S	S	*	*			cis	59.3	83.7	47.7	0	0	0	0	0	111.4	E37	A35-E37 PolarHBondContact O-N 3.13Å
36	D	27.7	Very low	29.7	Very low	175 Å²	175	152.3 Å²	152.3	94%	0.936	82%	0.821	S	S	*	*			trans	-69.4	111	159.2	-73.2	-41.9	0	0	0	107.5
37	E	30.3	Very low	30.2	Very low	185 Å²	185	151.6 Å²	151.6	86%	0.864	82%	0.817	S	S	*	*			trans	-113.5	129.1	157.8	-79	-171.4	168.7	0	0	107.7	A35	A35-E37 PolarHBondContact O-N 3.13Å
38	D	33.9	Very low	30.5	Very low	172 Å²	172	153 Å²	153	92%	0.92	81%	0.81	S	S	*	*			trans	-50.5	131.9	168.1	-71.9	-53.4	0	0	0	111.1
39	S	28.8	Very low	31.2	Very low	99 Å²	99	152.1 Å²	152.1	69%	0.692	81%	0.811	S	S	*	*			trans	-140	110.1	153.5	65.4	0	0	0	0	109.5	D41	S39-D41 PolarHBondContact O-N 3.46Å
40	D	38.8	Very low	32.2	Very low	163 Å²	163	151.1 Å²	151.1	87%	0.872	81%	0.806	S	S	*	*			trans	-48.4	125	152.2	-68.1	-46.7	0	0	0	108.6
41	D	32	Very low	33.3	Very low	135 Å²	135	148.8 Å²	148.8	72%	0.722	79%	0.794	S	S	*	*			trans	-149.3	103.9	159.8	-88.5	-33.9	0	0	0	109.2	S39	S39-D41 PolarHBondContact O-N 3.46Å
42	E	33.1	Very low	35	Very low	178 Å²	178	144.2 Å²	144.2	83%	0.832	78%	0.778	S	S	*	*			trans	37.8	116.1	135.7	-57.1	-173	170.4	0	0	118.9	E44	E42-E44 PolarHBondContact O-N 2.86Å; E42-E44 VanDerWaalsContact O-N 3.1Å
43	E	33.2	Very low	37.4	Very low	187 Å²	187	144 Å²	144	87%	0.874	77%	0.768	S	S	*	*			trans	-56.5	104.1	160.7	-64.8	174.7	166.2	0	0	109.8	E45	E43-E45 PolarHBondContact O-N 3.03Å
44	E	31.2	Very low	40.1	Very low	184 Å²	184	140.6 Å²	140.6	86%	0.86	75%	0.752	S	S	*	*			trans	-83.5	101.4	156.4	-70.9	-152.8	169.2	0	0	108.4	E42 D46	E42-E44 PolarHBondContact O-N 2.86Å; E42-E44 VanDerWaalsContact O-N 3.1Å; E44-D46 PolarHBondContact O-N 2.91Å; E44-D46 VanDerWaalsContact O-N 3.09Å
45	E	34.2	Very low	43.1	Very low	157 Å²	157	138.4 Å²	138.4	73%	0.734	73%	0.729	S	S	*	*			trans	-62.9	98.5	161.2	-71.3	-176.4	158.6	0	0	108.5	E43 D47	E43-E45 PolarHBondContact O-N 3.03Å; E45-D47 VanDerWaalsContact C-N 3.26Å; E45-D47 PolarHBondContact O-N 2.68Å; E45-D47 VanDerWaalsContact O-N 3.1Å
46	D	31.3	Very low	46.1	Very low	143 Å²	143	138.8 Å²	138.8	77%	0.765	71%	0.713	S	S	*	*			trans	-81.8	78.9	168.7	-139.6	2	0	0	0	107.8	E44 N48	E44-D46 PolarHBondContact O-N 2.91Å; E44-D46 VanDerWaalsContact O-N 3.09Å; D46-N48 VanDerWaalsContact C-N 3.28Å; D46-N48 PolarHBondContact O-N 3.03Å
47	D	36.1	Very low	49.2	Very low	123 Å²	123	135.9 Å²	135.9	66%	0.658	69%	0.694	S	S	*	*			trans	-64.7	84.5	170.4	-84.2	-21.1	0	0	0	109.9	E45	E45-D47 VanDerWaalsContact C-N 3.26Å; E45-D47 PolarHBondContact O-N 2.68Å; E45-D47 VanDerWaalsContact O-N 3.1Å
48	N	34.5	Very low	52.2	Low	133 Å²	133	131.4 Å²	131.4	71%	0.711	67%	0.673	S	S	*	*			trans	-113.5	79.5	153.9	-83.8	-51.8	0	0	0	108.3	D46 E50	D46-N48 VanDerWaalsContact C-N 3.28Å; D46-N48 PolarHBondContact O-N 3.03Å; N48-E50 PolarHBondContact O-N 2.97Å
49	D	39	Very low	54.9	Low	160 Å²	160	128.5 Å²	128.5	86%	0.856	66%	0.657	S	S	*	*			trans	-62.6	77.8	160.5	-82.7	-30.1	0	0	0	109
50	E	48	Very low	57.8	Low	139 Å²	139	124.9 Å²	124.9	65%	0.65	64%	0.635	S	S	*	*			trans	-63.7	129.1	153.7	-76.7	-171	175	0	0	107.3	N48 D52 K56	N48-E50 PolarHBondContact O-N 2.97Å; E50-D52 PolarHBondContact O-N 3.11Å; E50-K56 IonicContact OE2-NZ 3.32Å; E50-K56 PolarHBondContact OE2-NZ 2.73Å
51	D	50	Low	60.6	Low	108 Å²	108	117.2 Å²	117.2	58%	0.578	60%	0.595	S	S	*	*			trans	-53	94.6	178.2	-176.9	4.1	0	0	0	111.4	T53 E54	D51-T53 PolarHBondContact O-N 3.09Å; D51-T53 WeakPolarHBondContact OD1-CB 3.33Å; D51-T53 PolarHBondContact OD1-N 3.17Å; D51-T53 PolarHBondContact OD1-OG1 2.9Å; D51-E54 PolarHBondContact O-N 3.2Å
52	D	62.2	Low	63.7	Low	100 Å²	100	112.3 Å²	112.3	54%	0.535	57%	0.568	S	S	.	*	T	Hydrogen-bonded Turn	trans	-69.4	6.3	-174.7	-153.5	16.8	0	0	0	112.4	E50 T65 S67	E50-D52 PolarHBondContact O-N 3.11Å; D52-T65 PolarHBondContact O-OG1 3.37Å; D52-S67 PolarHBondContact O-OG 3.29Å
53	T	74.9	Confident	66.7	Low	90 Å²	90	104.9 Å²	104.9	55%	0.552	54%	0.535	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.3	-14.8	176.1	72.3	0	0	0	0	113.5	D51	D51-T53 PolarHBondContact O-N 3.09Å; D51-T53 WeakPolarHBondContact OD1-CB 3.33Å; D51-T53 PolarHBondContact OD1-N 3.17Å; D51-T53 PolarHBondContact OD1-OG1 2.9Å
54	E	85.5	Confident	69.7	Low	132 Å²	132	96.1 Å²	96.1	62%	0.617	49%	0.494	S	S	*	.	S	Bend	trans	-75.3	135.9	178.7	-167	174.5	-166.7	0	0	111.7	D51 K56 N68	D51-E54 PolarHBondContact O-N 3.2Å; E54-K56 PolarHBondContact O-N 2.92Å; E54-N68 PolarHBondContact O-ND2 3.29Å; E54-N68 VanDerWaalsContact O-ND2 3.16Å
55	V	90.6	Very high	72.8	Confident	51 Å²	51	89 Å²	89	31%	0.309	46%	0.463	S	S	.	.			trans	-87.4	109.2	174.4	177.9	0	0	0	0	109	L62 L64 N68 F72	V55-L62 HydrophobicContact CG1-CB 4.02Å; V55-L62 HydrophobicContact CG1-CD2 4.17Å; V55-L64 HydrophobicContact CB-CD2 4.46Å; V55-L64 HydrophobicContact CG1-CD2 3.81Å; V55-L64 HydrophobicContact CG2-CD2 3.88Å; V55-N68 HydrophobicContact CG2-CB 4.33Å; V55-F72 HydrophobicContact CG1-CD2 4.32Å; V55-F72 HydrophobicContact CG1-CE2 4.41Å; V55-F72 HydrophobicContact CG2-CD2 4.05Å
56	K	92.9	Very high	75.5	Confident	100 Å²	100	84.3 Å²	84.3	44%	0.435	44%	0.443	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	148.6	177.7	-62.9	177.4	178.6	175.9	0	110.6	E50 E54 L62 V63	E50-K56 IonicContact OE2-NZ 3.32Å; E50-K56 PolarHBondContact OE2-NZ 2.73Å; E54-K56 PolarHBondContact O-N 2.92Å; K56-L62 CarbonylContact O-C 3.5Å; K56-L62 WeakPolarHBondContact O-CA 3.24Å; K56-V63 HydrophobicContact CB-CB 4.33Å; K56-V63 PolarHBondContact O-N 2.58Å
57	E	93.8	Very high	78.5	Confident	114 Å²	114	80.1 Å²	80.1	53%	0.533	43%	0.425	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	127	173.8	-173.2	177.3	150.9	0	0	110.1	G60 L62 K106	E57-G60 WeakPolarHBondContact OE1-CA 3.34Å; E57-L62 HydrophobicContact CB-CD2 3.92Å; E57-L62 HydrophobicContact CG-CD2 3.99Å; E57-K106 IonicContact OE1-NZ 3.01Å
58	E	91.7	Very high	81.3	Confident	92 Å²	92	74.6 Å²	74.6	43%	0.43	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	114.1	176.2	-68.9	-178.4	-168	0	0	109.6	G60 V61 V63 K116	E58-G60 PolarHBondContact O-N 3.12Å; E58-G60 VanDerWaalsContact O-N 3.12Å; E58-V61 PolarHBondContact N-O 2.82Å; E58-V61 WeakPolarHBondContact O-CB 3.24Å; E58-V61 PolarHBondContact O-N 3.33Å; E58-V63 HydrophobicContact CB-CG2 4.41Å; E58-V63 HydrophobicContact CG-CG2 4.03Å; E58-K116 WeakPolarHBondContact OE2-CE 3.35Å; E58-K116 IonicContact OE2-NZ 3.79Å; E58-K116 PolarHBondContact OE2-NZ 3.2Å
59	N	91.1	Very high	84.2	Confident	110 Å²	110	68.3 Å²	68.3	59%	0.588	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.9	33.8	178.2	-59.8	-33.3	0	0	0	114.6	E99	N59-E99 VanDerWaalsContact CB-CD 3.48Å; N59-E99 HydrophobicContact CB-CG 3.78Å; N59-E99 WeakPolarHBondContact CB-OE1 3.4Å; N59-E99 PolarHBondContact ND2-OE1 3.19Å
60	G	89.9	Confident	86.8	Confident	23 Å²	23	64.7 Å²	64.7	24%	0.237	34%	0.343	C	S	.	.	T	Hydrogen-bonded Turn	trans	89.7	-3.7	-178.2	0	0	0	0	0	115	E57 E58 A102	E57-G60 WeakPolarHBondContact OE1-CA 3.34Å; E58-G60 PolarHBondContact O-N 3.12Å; E58-G60 VanDerWaalsContact O-N 3.12Å; G60-A102 WeakPolarHBondContact O-CB 3.24Å
61	V	96.4	Very high	89	Confident	3 Å²	3	63.1 Å²	63.1	2%	0.018	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	128.2	176.3	-173.4	0	0	0	0	109.5	E58 Y98 E99 A102 V114 K116	E58-V61 PolarHBondContact N-O 2.82Å; E58-V61 WeakPolarHBondContact O-CB 3.24Å; E58-V61 PolarHBondContact O-N 3.33Å; V61-Y98 HydrophobicContact CG1-CD1 4.05Å; V61-Y98 HydrophobicContact CG1-CE1 3.75Å; V61-Y98 HydrophobicContact CG2-CD1 4.02Å; V61-Y98 HydrophobicContact CG2-CE1 4.43Å; V61-E99 HydrophobicContact CG2-CG 4.24Å; V61-A102 HydrophobicContact CG2-CB 3.85Å; V61-V114 HydrophobicContact CG1-CG1 4.45Å; V61-K116 HydrophobicContact CG1-CB 3.9Å; V61-K116 HydrophobicContact CG1-CD 3.93Å; V61-K116 HydrophobicContact CG1-CG 3.76Å
62	L	97.1	Very high	91.1	Very high	31 Å²	31	59.3 Å²	59.3	16%	0.162	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	137.1	179.8	-55.6	167.7	0	0	0	110.5	V55 K56 E57 F72 P113 V114 V115 K116	V55-L62 HydrophobicContact CG1-CB 4.02Å; V55-L62 HydrophobicContact CG1-CD2 4.17Å; K56-L62 CarbonylContact O-C 3.5Å; K56-L62 WeakPolarHBondContact O-CA 3.24Å; E57-L62 HydrophobicContact CB-CD2 3.92Å; E57-L62 HydrophobicContact CG-CD2 3.99Å; L62-F72 HydrophobicContact CD1-CE1 4.27Å; L62-F72 HydrophobicContact CD1-CE2 3.64Å; L62-F72 HydrophobicContact CD1-CZ 3.27Å; L62-P113 HydrophobicContact CD1-CB 4.33Å; L62-V114 PolarHBondContact N-O 3.33Å; L62-V115 HydrophobicContact CB-CB 4.34Å; L62-V115 HydrophobicContact CB-CG1 3.99Å; L62-V115 HydrophobicContact CD1-CG1 4.29Å; L62-V115 CarbonylContact O-C 3.41Å; L62-V115 WeakPolarHBondContact O-CA 3.34Å; L62-V115 WeakPolarHBondContact O-CB 3.38Å; L62-K116 PolarHBondContact O-N 2.94Å
63	V	97	Very high	92.7	Very high	23 Å²	23	55.2 Å²	55.2	14%	0.139	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	119.2	-179.1	-170.7	0	0	0	0	108.9	K56 E58 K116	K56-V63 HydrophobicContact CB-CB 4.33Å; K56-V63 PolarHBondContact O-N 2.58Å; E58-V63 HydrophobicContact CB-CG2 4.41Å; E58-V63 HydrophobicContact CG-CG2 4.03Å; V63-K116 WeakPolarHBondContact CA-O 3.16Å; V63-K116 HydrophobicContact CG2-CG 4.2Å
64	L	96.7	Very high	93.6	Very high	2 Å²	2	58.3 Å²	58.3	1%	0.01	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	149.4	179.5	-56.7	-179.3	0	0	0	111.5	V55 N68 F69 F72 V115 K116 V117	V55-L64 HydrophobicContact CB-CD2 4.46Å; V55-L64 HydrophobicContact CG1-CD2 3.81Å; V55-L64 HydrophobicContact CG2-CD2 3.88Å; L64-N68 VanDerWaalsContact CA-OD1 3.27Å; L64-N68 WeakPolarHBondContact CA-OD1 3.12Å; L64-N68 WeakPolarHBondContact CB-OD1 3.36Å; L64-N68 WeakPolarHBondContact CD2-OD1 3.24Å; L64-F69 HydrophobicContact CB-CB 4.48Å; L64-F69 HydrophobicContact CB-CD2 3.83Å; L64-F69 HydrophobicContact CD1-CD2 3.65Å; L64-F69 HydrophobicContact CD1-CE2 4.03Å; L64-F69 HydrophobicContact CD1-CG 4.3Å; L64-F69 HydrophobicContact CG-CD2 4.42Å; L64-F72 HydrophobicContact CD1-CB 4.24Å; L64-F72 HydrophobicContact CD1-CD1 3.61Å; L64-F72 HydrophobicContact CD1-CE1 4.29Å; L64-F72 HydrophobicContact CD1-CG 4.09Å; L64-F72 HydrophobicContact CD2-CB 3.89Å; L64-F72 HydrophobicContact CD2-CD1 4.1Å; L64-F72 HydrophobicContact CD2-CD2 4.23Å; L64-F72 HydrophobicContact CD2-CG 3.79Å; L64-F72 HydrophobicContact CG-CD1 4.47Å; L64-V115 HydrophobicContact CD1-CB 3.87Å; L64-V115 HydrophobicContact CD1-CG1 4Å; L64-V115 HydrophobicContact CD1-CG2 3.74Å; L64-V115 HydrophobicContact CG-CB 4.1Å; L64-V115 HydrophobicContact CG-CG1 4.44Å; L64-V115 HydrophobicContact CG-CG2 4.37Å; L64-K116 PolarHBondContact N-O 3.14Å; L64-V117 HydrophobicContact CB-CG2 4.06Å
65	T	94.9	Very high	93.8	Very high	35 Å²	35	56.2 Å²	56.2	22%	0.215	32%	0.321	C	S	.	.			trans	-125.7	176.5	-177.2	60.7	0	0	0	0	110	D52 S67 N68 F69	D52-T65 PolarHBondContact O-OG1 3.37Å; T65-S67 PolarHBondContact O-N 3.39Å; T65-S67 PolarHBondContact OG1-OG 3.42Å; T65-N68 PolarHBondContact N-OD1 2.91Å; T65-N68 PolarHBondContact O-OD1 3.07Å; T65-N68 PolarHBondContact OG1-OD1 3.13Å; T65-F69 VanDerWaalsContact O-CB 3.26Å; T65-F69 WeakPolarHBondContact O-CB 3.48Å; T65-F69 PolarHBondContact O-N 3.47Å
66	N	92.8	Very high	93.9	Very high	58 Å²	58	56.7 Å²	56.7	31%	0.31	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-33.6	177.2	-81.8	-23.5	0	0	0	112.7	A122 D123 A124 V125	N66-A122 VanDerWaalsContact OD1-CA 3.23Å; N66-A122 WeakPolarHBondContact OD1-CA 3.36Å; N66-A122 WeakPolarHBondContact OD1-CB 2.99Å; N66-A122 PolarHBondContact OD1-O 2.61Å; N66-D123 PolarHBondContact ND2-OD1 3.27Å; N66-A124 PolarHBondContact OD1-N 2.78Å; N66-V125 WeakPolarHBondContact OD1-CG2 3.46Å; N66-V125 PolarHBondContact OD1-N 3.46Å; N66-V125 VanDerWaalsContact OD1-N 3.15Å
67	S	93.4	Very high	94	Very high	55 Å²	55	55.2 Å²	55.2	39%	0.385	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.3	-35.2	-174.2	40.5	0	0	0	0	114	D52 T65	D52-S67 PolarHBondContact O-OG 3.29Å; T65-S67 PolarHBondContact O-N 3.39Å; T65-S67 PolarHBondContact OG1-OG 3.42Å
68	N	95.2	Very high	94.2	Very high	7 Å²	7	50.1 Å²	50.1	4%	0.037	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107	-11.1	-172.7	70.4	17.7	0	0	0	114.4	E54 V55 L64 T65 D70 F72	E54-N68 PolarHBondContact O-ND2 3.29Å; E54-N68 VanDerWaalsContact O-ND2 3.16Å; V55-N68 HydrophobicContact CG2-CB 4.33Å; L64-N68 VanDerWaalsContact CA-OD1 3.27Å; L64-N68 WeakPolarHBondContact CA-OD1 3.12Å; L64-N68 WeakPolarHBondContact CB-OD1 3.36Å; L64-N68 WeakPolarHBondContact CD2-OD1 3.24Å; T65-N68 PolarHBondContact N-OD1 2.91Å; T65-N68 PolarHBondContact O-OD1 3.07Å; T65-N68 PolarHBondContact OG1-OD1 3.13Å; N68-D70 PolarHBondContact O-N 2.96Å; N68-F72 WeakPolarHBondContact O-CB 3.33Å; N68-F72 PolarHBondContact O-N 3.32Å
69	F	95.6	Very high	94.5	Very high	1 Å²	1	45.8 Å²	45.8	0%	0.004	27%	0.273	C	S	.	.	H	α-helix	trans	-59.3	-52.1	-172.7	-170.5	-81.8	0	0	0	112.5	L64 T65 F72 I73 V81 V117 V125 R128 F129 L140	L64-F69 HydrophobicContact CB-CB 4.48Å; L64-F69 HydrophobicContact CB-CD2 3.83Å; L64-F69 HydrophobicContact CD1-CD2 3.65Å; L64-F69 HydrophobicContact CD1-CE2 4.03Å; L64-F69 HydrophobicContact CD1-CG 4.3Å; L64-F69 HydrophobicContact CG-CD2 4.42Å; T65-F69 VanDerWaalsContact O-CB 3.26Å; T65-F69 WeakPolarHBondContact O-CB 3.48Å; T65-F69 PolarHBondContact O-N 3.47Å; F69-F72 PolarHBondContact O-N 3.15Å; F69-I73 HydrophobicContact CD1-CG1 3.78Å; F69-I73 HydrophobicContact CE1-CD1 4.33Å; F69-I73 HydrophobicContact CE1-CG1 3.5Å; F69-I73 VanDerWaalsContact CE1-CG1 3.5Å; F69-I73 HydrophobicContact CG-CG1 4.48Å; F69-I73 HydrophobicContact CZ-CD1 4.33Å; F69-I73 HydrophobicContact CZ-CG1 3.98Å; F69-I73 WeakPolarHBondContact O-CG1 3.25Å; F69-I73 PolarHBondContact O-N 3.07Å; F69-V81 HydrophobicContact CE2-CG1 4.21Å; F69-V81 HydrophobicContact CZ-CG2 4.44Å; F69-V117 HydrophobicContact CD2-CG2 3.81Å; F69-V117 HydrophobicContact CE2-CG2 3.71Å; F69-V125 HydrophobicContact CB-CG2 3.97Å; F69-V125 HydrophobicContact CD1-CG1 4.04Å; F69-V125 HydrophobicContact CD2-CG1 3.7Å; F69-V125 HydrophobicContact CE1-CG1 4.11Å; F69-V125 HydrophobicContact CE2-CG1 3.78Å; F69-V125 HydrophobicContact CG-CG1 3.83Å; F69-V125 HydrophobicContact CG-CG2 4.13Å; F69-V125 HydrophobicContact CZ-CG1 3.97Å; F69-R128 VanDerWaalsContact CE1-NH2 3.34Å; F69-F129 HydrophobicContact CD1-CE2 4.41Å; F69-F129 AromaticContact CE1-CE2 3.43Å; F69-F129 HydrophobicContact CE1-CE2 3.43Å; F69-F129 VanDerWaalsContact CE1-CE2 3.43Å; F69-F129 AromaticContact CE1-CZ 3.8Å; F69-F129 HydrophobicContact CE1-CZ 3.8Å; F69-F129 HydrophobicContact CZ-CD2 4.37Å; F69-F129 AromaticContact CZ-CE2 3.53Å; F69-F129 HydrophobicContact CZ-CE2 3.53Å; F69-F129 HydrophobicContact CZ-CZ 4Å; F69-L140 HydrophobicContact CE1-CD1 4.14Å; F69-L140 HydrophobicContact CZ-CD1 3.89Å
70	D	93.2	Very high	94.8	Very high	85 Å²	85	40.6 Å²	40.6	46%	0.455	25%	0.245	S	C	.	.	H	α-helix	trans	-66.5	-45.7	-173.4	-73.3	-21.2	0	0	0	112.3	N68 F72 I73 E74 R128	N68-D70 PolarHBondContact O-N 2.96Å; D70-F72 PolarHBondContact O-N 2.78Å; D70-I73 PolarHBondContact O-N 3.4Å; D70-E74 PolarHBondContact O-N 2.98Å; D70-R128 VanDerWaalsContact CG-NH1 3.29Å; D70-R128 IonicContact OD1-CZ 3.48Å; D70-R128 IonicContact OD1-NH1 3.57Å; D70-R128 PolarHBondContact OD1-NH1 3.33Å; D70-R128 IonicContact OD1-NH2 2.83Å; D70-R128 PolarHBondContact OD1-NH2 2.85Å; D70-R128 IonicContact OD2-NH1 2.72Å; D70-R128 PolarHBondContact OD2-NH1 3.31Å
71	T	94.1	Very high	95.2	Very high	106 Å²	106	39.5 Å²	39.5	65%	0.65	23%	0.233	S	C	*	.	H	α-helix	trans	-59.7	-36	174.3	-52.4	0	0	0	0	111.6
72	F	95	Very high	95.3	Very high	27 Å²	27	39.6 Å²	39.6	12%	0.118	23%	0.234	C	C	.	.	H	α-helix	trans	-70.4	-43.1	175.5	-177.4	-91.9	0	0	0	112.2	V55 L62 L64 N68 F69 D70 E74 K76 V79 P113 V115	V55-F72 HydrophobicContact CG1-CD2 4.32Å; V55-F72 HydrophobicContact CG1-CE2 4.41Å; V55-F72 HydrophobicContact CG2-CD2 4.05Å; L62-F72 HydrophobicContact CD1-CE1 4.27Å; L62-F72 HydrophobicContact CD1-CE2 3.64Å; L62-F72 HydrophobicContact CD1-CZ 3.27Å; L64-F72 HydrophobicContact CD1-CB 4.24Å; L64-F72 HydrophobicContact CD1-CD1 3.61Å; L64-F72 HydrophobicContact CD1-CE1 4.29Å; L64-F72 HydrophobicContact CD1-CG 4.09Å; L64-F72 HydrophobicContact CD2-CB 3.89Å; L64-F72 HydrophobicContact CD2-CD1 4.1Å; L64-F72 HydrophobicContact CD2-CD2 4.23Å; L64-F72 HydrophobicContact CD2-CG 3.79Å; L64-F72 HydrophobicContact CG-CD1 4.47Å; N68-F72 WeakPolarHBondContact O-CB 3.33Å; N68-F72 PolarHBondContact O-N 3.32Å; F69-F72 PolarHBondContact O-N 3.15Å; D70-F72 PolarHBondContact O-N 2.78Å; F72-E74 VanDerWaalsContact C-N 3.3Å; F72-E74 PolarHBondContact O-N 3.47Å; F72-K76 HydrophobicContact CD1-CD 4.2Å; F72-K76 HydrophobicContact CE1-CD 3.74Å; F72-K76 HydrophobicContact CZ-CD 4.02Å; F72-K76 VanDerWaalsContact O-CD 3.27Å; F72-K76 WeakPolarHBondContact O-CD 3.46Å; F72-K76 WeakPolarHBondContact O-CE 3.26Å; F72-K76 PolarHBondContact O-NZ 3.2Å; F72-V79 HydrophobicContact CE1-CG1 4.46Å; F72-P113 HydrophobicContact CE1-CB 4.18Å; F72-P113 HydrophobicContact CZ-CB 3.96Å; F72-P113 HydrophobicContact CZ-CG 4.46Å; F72-V115 HydrophobicContact CD1-CG1 4.38Å; F72-V115 HydrophobicContact CE1-CG1 3.66Å; F72-V115 HydrophobicContact CZ-CG1 4.2Å
73	I	95.3	Very high	95.3	Very high	15 Å²	15	38.1 Å²	38.1	8%	0.077	23%	0.226	C	C	.	.	H	α-helix	trans	-71	-28.3	-177.6	-63.8	-55.3	0	0	0	112.1	F69 D70 G75 K76 V79 L140	F69-I73 HydrophobicContact CD1-CG1 3.78Å; F69-I73 HydrophobicContact CE1-CD1 4.33Å; F69-I73 HydrophobicContact CE1-CG1 3.5Å; F69-I73 VanDerWaalsContact CE1-CG1 3.5Å; F69-I73 HydrophobicContact CG-CG1 4.48Å; F69-I73 HydrophobicContact CZ-CD1 4.33Å; F69-I73 HydrophobicContact CZ-CG1 3.98Å; F69-I73 WeakPolarHBondContact O-CG1 3.25Å; F69-I73 PolarHBondContact O-N 3.07Å; D70-I73 PolarHBondContact O-N 3.4Å; I73-G75 PolarHBondContact O-N 3.34Å; I73-K76 WeakPolarHBondContact O-CB 3.43Å; I73-K76 PolarHBondContact O-N 2.78Å; I73-K76 VanDerWaalsContact O-N 3.09Å; I73-V79 HydrophobicContact CD1-CB 3.96Å; I73-V79 HydrophobicContact CD1-CG1 3.79Å; I73-V79 HydrophobicContact CD1-CG2 3.83Å; I73-L140 HydrophobicContact CD1-CD1 3.72Å; I73-L140 HydrophobicContact CG1-CD1 3.96Å; I73-L140 HydrophobicContact CG2-CD1 4.12Å
74	E	93.2	Very high	95.3	Very high	155 Å²	155	39.1 Å²	39.1	72%	0.724	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.2	129.9	-178.9	-168.1	173.9	-167.5	0	0	112.7	D70 F72 K76	D70-E74 PolarHBondContact O-N 2.98Å; F72-E74 VanDerWaalsContact C-N 3.3Å; F72-E74 PolarHBondContact O-N 3.47Å; E74-K76 PolarHBondContact O-N 3.18Å
75	G	89.6	Confident	95.2	Very high	88 Å²	88	39 Å²	39	91%	0.907	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	73.7	-0.9	178.9	0	0	0	0	0	115.8	I73	I73-G75 PolarHBondContact O-N 3.34Å
76	K	94	Very high	95.1	Very high	60 Å²	60	40.4 Å²	40.4	26%	0.261	24%	0.236	S	C	.	.			trans	-87.7	131	175.1	-65.6	-174	167.8	72.2	0	111.2	F72 I73 E74 V79 P113	F72-K76 HydrophobicContact CD1-CD 4.2Å; F72-K76 HydrophobicContact CE1-CD 3.74Å; F72-K76 HydrophobicContact CZ-CD 4.02Å; F72-K76 VanDerWaalsContact O-CD 3.27Å; F72-K76 WeakPolarHBondContact O-CD 3.46Å; F72-K76 WeakPolarHBondContact O-CE 3.26Å; F72-K76 PolarHBondContact O-NZ 3.2Å; I73-K76 WeakPolarHBondContact O-CB 3.43Å; I73-K76 PolarHBondContact O-N 2.78Å; I73-K76 VanDerWaalsContact O-N 3.09Å; E74-K76 PolarHBondContact O-N 3.18Å; K76-V79 HydrophobicContact CB-CG2 3.78Å; K76-V79 HydrophobicContact CD-CG2 3.73Å; K76-V79 HydrophobicContact CG-CG2 4.41Å; K76-P113 HydrophobicContact CD-CG 4.04Å
77	D	94.3	Very high	95	Very high	70 Å²	70	46.1 Å²	46.1	37%	0.374	25%	0.254	S	S	.	.	S	Bend	trans	-70.7	-49.8	178.6	170.1	83.4	0	0	0	111.8	K141 N142	D77-K141 CarbonylContact O-C 3.58Å; D77-K141 WeakPolarHBondContact O-CA 3.32Å; D77-K141 WeakPolarHBondContact O-CD 3.34Å; D77-K141 IonicContact OD1-NZ 3.05Å; D77-K141 PolarHBondContact OD1-NZ 2.93Å; D77-K141 IonicContact OD2-NZ 3.75Å; D77-K141 PolarHBondContact OD2-NZ 2.78Å; D77-N142 PolarHBondContact O-N 2.89Å
78	T	97	Very high	95	Very high	7 Å²	7	44.1 Å²	44.1	4%	0.043	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	133.8	-178.4	-55.8	0	0	0	0	110.8	I112 P113 I139 L140 K141 V161 S165	T78-I112 HydrophobicContact CG2-CD1 4.48Å; T78-I112 HydrophobicContact CG2-CG2 4.05Å; T78-P113 WeakPolarHBondContact O-CD 3.45Å; T78-I139 HydrophobicContact CG2-CG2 3.93Å; T78-L140 CarbonylContact C-O 3.6Å; T78-L140 VanDerWaalsContact CA-O 3.24Å; T78-L140 WeakPolarHBondContact CA-O 3.4Å; T78-K141 PolarHBondContact OG1-NZ 2.9Å; T78-V161 HydrophobicContact CG2-CG1 4.36Å; T78-S165 WeakPolarHBondContact OG1-CA 3.42Å
79	V	98	Very high	94.9	Very high	1 Å²	1	45.8 Å²	45.8	1%	0.006	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	131.3	175.9	-177.5	0	0	0	0	110.1	F72 I73 K76 V81 P113 V115 I139 L140	F72-V79 HydrophobicContact CE1-CG1 4.46Å; I73-V79 HydrophobicContact CD1-CB 3.96Å; I73-V79 HydrophobicContact CD1-CG1 3.79Å; I73-V79 HydrophobicContact CD1-CG2 3.83Å; K76-V79 HydrophobicContact CB-CG2 3.78Å; K76-V79 HydrophobicContact CD-CG2 3.73Å; K76-V79 HydrophobicContact CG-CG2 4.41Å; V79-V81 HydrophobicContact CG1-CG2 4.1Å; V79-P113 HydrophobicContact CG1-CB 4.39Å; V79-V115 HydrophobicContact CG1-CG1 3.78Å; V79-V115 HydrophobicContact CG1-CG2 4.07Å; V79-I139 CarbonylContact O-C 3.55Å; V79-L140 HydrophobicContact CB-CB 4.34Å; V79-L140 PolarHBondContact N-O 3.36Å; V79-L140 PolarHBondContact O-N 3.18Å
80	L	98.3	Very high	94.8	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	128.4	171.2	177.9	65.6	0	0	0	109.4	Y98 I101 L105 P113 V114 V115 I137 I139 I157 V161	L80-Y98 HydrophobicContact CD2-CE2 3.77Å; L80-Y98 HydrophobicContact CG-CE2 4.07Å; L80-Y98 PolarHBondContact O-OH 2.99Å; L80-I101 HydrophobicContact CD2-CG2 3.52Å; L80-L105 HydrophobicContact CB-CD1 4.42Å; L80-L105 HydrophobicContact CD2-CD1 3.8Å; L80-P113 PolarHBondContact N-O 2.77Å; L80-V114 HydrophobicContact CB-CG1 4.47Å; L80-V114 HydrophobicContact CB-CG2 4.2Å; L80-V114 HydrophobicContact CD2-CG1 4Å; L80-V114 HydrophobicContact CD2-CG2 4.14Å; L80-V114 HydrophobicContact CG-CG1 4.36Å; L80-V114 WeakPolarHBondContact O-CA 3.39Å; L80-V115 PolarHBondContact O-N 3.08Å; L80-I137 HydrophobicContact CD1-CG2 3.59Å; L80-I139 HydrophobicContact CD1-CG1 4Å; L80-I157 HydrophobicContact CD1-CG2 4.14Å; L80-I157 HydrophobicContact CD2-CG2 3.74Å; L80-V161 HydrophobicContact CB-CG2 4.32Å; L80-V161 HydrophobicContact CD1-CG2 3.81Å; L80-V161 HydrophobicContact CD2-CG2 4.2Å; L80-V161 HydrophobicContact CG-CG2 4.33Å
81	V	98.3	Very high	94.8	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	127.7	-175.6	-172.3	0	0	0	0	110.5	F69 V79 F83 V115 V117 I137 K138 L140	F69-V81 HydrophobicContact CE2-CG1 4.21Å; F69-V81 HydrophobicContact CZ-CG2 4.44Å; V79-V81 HydrophobicContact CG1-CG2 4.1Å; V81-F83 HydrophobicContact CB-CE2 4.31Å; V81-F83 HydrophobicContact CG1-CD2 4.02Å; V81-F83 HydrophobicContact CG1-CE1 4.34Å; V81-F83 HydrophobicContact CG1-CE2 3.53Å; V81-F83 HydrophobicContact CG1-CZ 3.71Å; V81-V115 CarbonylContact C-O 3.49Å; V81-V115 WeakPolarHBondContact CA-O 3.32Å; V81-V115 HydrophobicContact CB-CG2 4Å; V81-V115 HydrophobicContact CG1-CG2 3.87Å; V81-V115 HydrophobicContact CG2-CG2 3.7Å; V81-V117 HydrophobicContact CG1-CG2 4.18Å; V81-I137 CarbonylContact O-C 3.08Å; V81-I137 WeakPolarHBondContact O-CA 3.3Å; V81-K138 PolarHBondContact N-O 3.01Å; V81-K138 PolarHBondContact O-N 2.85Å; V81-L140 HydrophobicContact CG2-CD1 3.81Å; V81-L140 HydrophobicContact CG2-CG 3.8Å
82	E	97.9	Very high	94.8	Very high	6 Å²	6	48.9 Å²	48.9	3%	0.028	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	122.1	165.1	-178.2	-170.5	-168.1	0	0	110.1	F94 Y98 V115 K116 V117 P135	E82-F94 WeakPolarHBondContact OE1-CD1 3.49Å; E82-Y98 HydrophobicContact CB-CD1 4.25Å; E82-Y98 HydrophobicContact CB-CE1 3.61Å; E82-Y98 HydrophobicContact CB-CE2 3.93Å; E82-Y98 VanDerWaalsContact CB-CZ 3.42Å; E82-Y98 PolarHBondContact N-OH 3.21Å; E82-Y98 VanDerWaalsContact OE2-CD1 3.31Å; E82-Y98 WeakPolarHBondContact OE2-CD1 3.47Å; E82-V115 PolarHBondContact N-O 2.61Å; E82-K116 HydrophobicContact CB-CB 4.44Å; E82-K116 CarbonylContact O-C 3.58Å; E82-K116 VanDerWaalsContact O-CA 3.25Å; E82-K116 WeakPolarHBondContact O-CA 3.49Å; E82-V117 PolarHBondContact O-N 3.24Å; E82-P135 HydrophobicContact CG-CB 3.99Å; E82-P135 VanDerWaalsContact OE1-CB 3.24Å; E82-P135 WeakPolarHBondContact OE1-CB 3.25Å
83	F	97.8	Very high	94.8	Very high	0 Å²	0	54.8 Å²	54.8	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	118.2	165.3	-65.3	-83.8	0	0	0	109.5	V81 V117 A119 V125 F129 V131 P135 T136 K138	V81-F83 HydrophobicContact CB-CE2 4.31Å; V81-F83 HydrophobicContact CG1-CD2 4.02Å; V81-F83 HydrophobicContact CG1-CE1 4.34Å; V81-F83 HydrophobicContact CG1-CE2 3.53Å; V81-F83 HydrophobicContact CG1-CZ 3.71Å; F83-V117 WeakPolarHBondContact CA-O 3.12Å; F83-V117 HydrophobicContact CD1-CB 3.7Å; F83-V117 HydrophobicContact CD1-CG1 3.88Å; F83-V117 HydrophobicContact CD1-CG2 4.38Å; F83-V117 HydrophobicContact CE1-CB 3.82Å; F83-V117 HydrophobicContact CE1-CG1 3.88Å; F83-V117 HydrophobicContact CE1-CG2 4.06Å; F83-A119 HydrophobicContact CB-CB 4.24Å; F83-A119 HydrophobicContact CD1-CB 4.35Å; F83-V125 HydrophobicContact CE1-CG1 3.83Å; F83-V125 HydrophobicContact CZ-CG1 4.15Å; F83-F129 HydrophobicContact CE1-CD2 4.35Å; F83-F129 HydrophobicContact CE2-CB 3.87Å; F83-F129 HydrophobicContact CE2-CD2 4.27Å; F83-F129 HydrophobicContact CE2-CG 4.14Å; F83-F129 HydrophobicContact CZ-CB 3.79Å; F83-F129 AromaticContact CZ-CD2 3.52Å; F83-F129 HydrophobicContact CZ-CD2 3.52Å; F83-F129 HydrophobicContact CZ-CE2 4.32Å; F83-F129 AromaticContact CZ-CG 3.82Å; F83-F129 HydrophobicContact CZ-CG 3.82Å; F83-V131 HydrophobicContact CB-CB 4.47Å; F83-V131 HydrophobicContact CB-CG1 3.8Å; F83-V131 HydrophobicContact CB-CG2 3.79Å; F83-V131 HydrophobicContact CD1-CG2 3.76Å; F83-V131 HydrophobicContact CD2-CG2 3.57Å; F83-V131 HydrophobicContact CE1-CG2 4.22Å; F83-V131 HydrophobicContact CE2-CG2 4.04Å; F83-V131 HydrophobicContact CG-CG1 4.36Å; F83-V131 HydrophobicContact CG-CG2 3.41Å; F83-V131 VanDerWaalsContact CG-CG2 3.41Å; F83-V131 HydrophobicContact CZ-CG2 4.35Å; F83-P135 WeakPolarHBondContact O-CA 3.46Å; F83-T136 PolarHBondContact N-O 3.28Å; F83-T136 PolarHBondContact O-N 3.36Å; F83-K138 HydrophobicContact CE2-CG 4.3Å
84	Y	96.8	Very high	94.8	Very high	43 Å²	43	54.6 Å²	54.6	17%	0.169	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	171.1	-174.4	80	-78.4	0	0	0	112.1	P86 K116 V117 D118 A119	Y84-P86 HydrophobicContact CE2-CG 4.3Å; Y84-K116 HydrophobicContact CD1-CB 3.96Å; Y84-K116 HydrophobicContact CD1-CG 4.4Å; Y84-K116 HydrophobicContact CE1-CB 3.88Å; Y84-K116 HydrophobicContact CE1-CD 3.93Å; Y84-K116 HydrophobicContact CE1-CG 3.83Å; Y84-V117 WeakPolarHBondContact CD1-O 3.39Å; Y84-V117 PolarHBondContact N-O 2.98Å; Y84-D118 HydrophobicContact CE1-CB 4.1Å; Y84-A119 PolarHBondContact O-N 3.32Å
85	A	95.3	Very high	95	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	27%	0.267	C	S	.	.			trans	-128.5	136.3	167.8	0	0	0	0	0	109.7	W87 C88 T120 Y134	A85-W87 HydrophobicContact CB-CD2 4.19Å; A85-W87 HydrophobicContact CB-CH2 4.44Å; A85-W87 HydrophobicContact CB-CZ2 3.93Å; A85-W87 PolarHBondContact O-N 3.41Å; A85-W87 VanDerWaalsContact O-N 3.11Å; A85-C88 HydrophobicContact CB-CB 4.15Å; A85-C88 WeakPolarHBondContact O-CB 3.12Å; A85-C88 PolarHBondContact O-N 3.46Å; A85-T120 HydrophobicContact CB-CG2 3.54Å; A85-Y134 HydrophobicContact CB-CD2 3.53Å; A85-Y134 HydrophobicContact CB-CE2 3.79Å; A85-Y134 HydrophobicContact CB-CG 3.95Å
86	P	92.8	Very high	95.3	Very high	64 Å²	64	47.9 Å²	47.9	42%	0.416	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-27.7	-175.4	-26.9	33.8	0	0	0	114.4	Y84 K92 D118	Y84-P86 HydrophobicContact CE2-CG 4.3Å; P86-K92 WeakPolarHBondContact O-CE 3.49Å; P86-K92 PolarHBondContact O-NZ 3.44Å; P86-D118 WeakPolarHBondContact CD-OD1 3.43Å; P86-D118 WeakPolarHBondContact CD-OD2 3.33Å; P86-D118 WeakPolarHBondContact CG-OD2 3.45Å
87	W	90.9	Very high	95.4	Very high	179 Å²	179	47.2 Å²	47.2	68%	0.678	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.8	-7.5	179.2	48.8	-100	0	0	0	113.7	A85 G89 T120 Y134	A85-W87 HydrophobicContact CB-CD2 4.19Å; A85-W87 HydrophobicContact CB-CH2 4.44Å; A85-W87 HydrophobicContact CB-CZ2 3.93Å; A85-W87 PolarHBondContact O-N 3.41Å; A85-W87 VanDerWaalsContact O-N 3.11Å; W87-G89 PolarHBondContact O-N 2.94Å; W87-T120 HydrophobicContact CZ2-CG2 4.39Å; W87-Y134 HydrophobicContact CH2-CD2 4.25Å; W87-Y134 HydrophobicContact CH2-CE2 4.28Å; W87-Y134 HydrophobicContact CZ2-CE2 4.26Å
88	C	93.7	Very high	95.5	Very high	12 Å²	12	44 Å²	44	8%	0.081	23%	0.225	C	C	.	.			trans	-74.7	117.8	-177.3	177.6	0	0	0	0	112.1	A85 H90 C91 K92	A85-C88 HydrophobicContact CB-CB 4.15Å; A85-C88 WeakPolarHBondContact O-CB 3.12Å; A85-C88 PolarHBondContact O-N 3.46Å; C88-H90 VanDerWaalsContact C-N 3.33Å; C88-H90 PolarHBondContact O-N 3.08Å; C88-C91 HydrophobicContact CB-CB 3.91Å; C88-C91 VanDerWaalsContact CB-SG 3.54Å; C88-C91 PolarHBondContact O-N 2.88Å; C88-C91 PolarHBondContact SG-SG 3.3Å; C88-K92 WeakPolarHBondContact O-CG 3.29Å; C88-K92 PolarHBondContact O-N 2.99Å; C88-K92 VanDerWaalsContact O-N 3.09Å
89	G	92.8	Very high	95.5	Very high	43 Å²	43	46.2 Å²	46.2	44%	0.443	24%	0.235	S	C	.	.	H	α-helix	trans	-60.8	-37.4	177.9	0	0	0	0	0	113.7	W87 K92 Q93	W87-G89 PolarHBondContact O-N 2.94Å; G89-K92 PolarHBondContact O-N 3.15Å; G89-Q93 WeakPolarHBondContact O-CG 3.41Å; G89-Q93 PolarHBondContact O-N 3.03Å
90	H	92.4	Very high	95.5	Very high	118 Å²	118	50.6 Å²	50.6	55%	0.546	25%	0.254	S	S	.	.	H	α-helix	trans	-67.4	-36.4	176.9	-66.1	-66	0	0	0	112.5	C88 Q93 F94	C88-H90 VanDerWaalsContact C-N 3.33Å; C88-H90 PolarHBondContact O-N 3.08Å; H90-Q93 PolarHBondContact O-N 3.23Å; H90-F94 VanDerWaalsContact O-CB 3.26Å; H90-F94 WeakPolarHBondContact O-CB 3.29Å; H90-F94 PolarHBondContact O-N 3.45Å
91	C	94.6	Very high	95.4	Very high	5 Å²	5	50.6 Å²	50.6	3%	0.034	25%	0.254	C	S	.	.	H	α-helix	trans	-65.2	-46.5	174.1	-63	0	0	0	0	110.8	C88 Q93 F94 A95 P135	C88-C91 HydrophobicContact CB-CB 3.91Å; C88-C91 VanDerWaalsContact CB-SG 3.54Å; C88-C91 PolarHBondContact O-N 2.88Å; C88-C91 PolarHBondContact SG-SG 3.3Å; C91-Q93 VanDerWaalsContact C-N 3.28Å; C91-Q93 PolarHBondContact O-N 3.24Å; C91-F94 PolarHBondContact O-N 2.91Å; C91-F94 VanDerWaalsContact O-N 3.09Å; C91-A95 PolarHBondContact O-N 2.78Å; C91-P135 VanDerWaalsContact SG-CD 3.56Å; C91-P135 VanDerWaalsContact SG-N 3.44Å
92	K	94.1	Very high	95.4	Very high	134 Å²	134	50.8 Å²	50.8	58%	0.583	26%	0.256	S	S	*	.	H	α-helix	trans	-59.5	-39.2	177.1	-67.4	-179.5	-175	-177.2	0	112.6	P86 C88 G89	P86-K92 WeakPolarHBondContact O-CE 3.49Å; P86-K92 PolarHBondContact O-NZ 3.44Å; C88-K92 WeakPolarHBondContact O-CG 3.29Å; C88-K92 PolarHBondContact O-N 2.99Å; C88-K92 VanDerWaalsContact O-N 3.09Å; G89-K92 PolarHBondContact O-N 3.15Å
93	Q	94.4	Very high	95.3	Very high	150 Å²	150	56.2 Å²	56.2	70%	0.701	28%	0.281	S	S	*	.	H	α-helix	trans	-70.5	-32.6	176.3	-73.8	176.1	-1.5	0	0	112.7	G89 H90 C91	G89-Q93 WeakPolarHBondContact O-CG 3.41Å; G89-Q93 PolarHBondContact O-N 3.03Å; H90-Q93 PolarHBondContact O-N 3.23Å; C91-Q93 VanDerWaalsContact C-N 3.28Å; C91-Q93 PolarHBondContact O-N 3.24Å
94	F	96	Very high	95.3	Very high	11 Å²	11	58.6 Å²	58.6	5%	0.048	30%	0.295	C	S	.	.	H	α-helix	trans	-82.3	-27.4	-178.8	-177.4	-123.8	0	0	0	113.2	E82 H90 C91 E97 Y98 I101 P135 I137 R152 I157	E82-F94 WeakPolarHBondContact OE1-CD1 3.49Å; H90-F94 VanDerWaalsContact O-CB 3.26Å; H90-F94 WeakPolarHBondContact O-CB 3.29Å; H90-F94 PolarHBondContact O-N 3.45Å; C91-F94 PolarHBondContact O-N 2.91Å; C91-F94 VanDerWaalsContact O-N 3.09Å; F94-E97 HydrophobicContact CD2-CB 4.11Å; F94-E97 HydrophobicContact CE2-CB 4.22Å; F94-E97 HydrophobicContact CE2-CG 4.32Å; F94-E97 WeakPolarHBondContact O-CA 3.29Å; F94-E97 WeakPolarHBondContact O-CB 3.49Å; F94-E97 PolarHBondContact O-N 3.08Å; F94-Y98 HydrophobicContact CD1-CD2 4.45Å; F94-Y98 AromaticContact CE1-CD2 3.44Å; F94-Y98 HydrophobicContact CE1-CD2 3.44Å; F94-Y98 VanDerWaalsContact CE1-CD2 3.44Å; F94-Y98 HydrophobicContact CE1-CE2 4.21Å; F94-Y98 AromaticContact CE1-CG 3.94Å; F94-Y98 HydrophobicContact CE1-CG 3.94Å; F94-Y98 AromaticContact CZ-CD2 3.64Å; F94-Y98 HydrophobicContact CZ-CD2 3.64Å; F94-Y98 HydrophobicContact CZ-CE2 4.5Å; F94-Y98 HydrophobicContact CZ-CG 4.34Å; F94-Y98 PolarHBondContact O-N 3.37Å; F94-I101 HydrophobicContact CE2-CD1 4.4Å; F94-I101 HydrophobicContact CZ-CD1 4.22Å; F94-P135 HydrophobicContact CD1-CB 4.42Å; F94-P135 HydrophobicContact CD1-CG 4.19Å; F94-I137 HydrophobicContact CE1-CD1 3.68Å; F94-I137 HydrophobicContact CE1-CG1 4.25Å; F94-I137 HydrophobicContact CZ-CD1 3.67Å; F94-R152 HydrophobicContact CD2-CB 3.9Å; F94-R152 HydrophobicContact CE2-CB 3.74Å; F94-R152 WeakPolarHBondContact CE2-O 3.47Å; F94-R152 HydrophobicContact CZ-CB 4.39Å; F94-I157 HydrophobicContact CE2-CD1 3.91Å; F94-I157 HydrophobicContact CZ-CD1 3.5Å; F94-I157 VanDerWaalsContact CZ-CD1 3.5Å
95	A	95.4	Very high	95.3	Very high	34 Å²	34	56.6 Å²	56.6	28%	0.281	29%	0.288	S	S	.	.	H	α-helix	trans	-50.1	-46.7	-176	0	0	0	0	0	114.7	C91 E97 Y98 E99	C91-A95 PolarHBondContact O-N 2.78Å; A95-E97 PolarHBondContact O-N 3.46Å; A95-Y98 PolarHBondContact O-N 2.94Å; A95-Y98 VanDerWaalsContact O-N 3.14Å; A95-E99 WeakPolarHBondContact O-CG 3.24Å; A95-E99 PolarHBondContact O-N 3.36Å
96	P	95.9	Very high	95.3	Very high	69 Å²	69	62.6 Å²	62.6	45%	0.448	31%	0.314	S	S	.	.	H	α-helix	trans	-64.2	-29.2	178.2	-21.2	33.5	0	0	0	113.6	K100	P96-K100 WeakPolarHBondContact O-CG 3.27Å; P96-K100 PolarHBondContact O-N 3.21Å
97	E	96.8	Very high	95.3	Very high	45 Å²	45	67.8 Å²	67.8	21%	0.21	33%	0.333	C	S	.	.	H	α-helix	trans	-77	-37.8	175.5	-166.4	72	178.7	0	0	110.7	F94 A95 K100 I101 E154	F94-E97 HydrophobicContact CD2-CB 4.11Å; F94-E97 HydrophobicContact CE2-CB 4.22Å; F94-E97 HydrophobicContact CE2-CG 4.32Å; F94-E97 WeakPolarHBondContact O-CA 3.29Å; F94-E97 WeakPolarHBondContact O-CB 3.49Å; F94-E97 PolarHBondContact O-N 3.08Å; A95-E97 PolarHBondContact O-N 3.46Å; E97-K100 WeakPolarHBondContact O-CB 3.39Å; E97-K100 PolarHBondContact O-N 3.39Å; E97-K100 IonicContact OE2-NZ 2.79Å; E97-K100 PolarHBondContact OE2-NZ 3.2Å; E97-I101 WeakPolarHBondContact O-CG1 3.31Å; E97-I101 PolarHBondContact O-N 2.87Å; E97-E154 WeakPolarHBondContact OE1-CB 3.46Å; E97-E154 PolarHBondContact OE1-N 3.18Å
98	Y	97.4	Very high	95.4	Very high	3 Å²	3	61.2 Å²	61.2	1%	0.012	31%	0.31	C	S	.	.	H	α-helix	trans	-64.9	-37	175.8	-159.3	-115.2	0	0	0	112.7	V61 L80 E82 F94 A95 I101 A102 V114 V115 K116	V61-Y98 HydrophobicContact CG1-CD1 4.05Å; V61-Y98 HydrophobicContact CG1-CE1 3.75Å; V61-Y98 HydrophobicContact CG2-CD1 4.02Å; V61-Y98 HydrophobicContact CG2-CE1 4.43Å; L80-Y98 HydrophobicContact CD2-CE2 3.77Å; L80-Y98 HydrophobicContact CG-CE2 4.07Å; L80-Y98 PolarHBondContact O-OH 2.99Å; E82-Y98 HydrophobicContact CB-CD1 4.25Å; E82-Y98 HydrophobicContact CB-CE1 3.61Å; E82-Y98 HydrophobicContact CB-CE2 3.93Å; E82-Y98 VanDerWaalsContact CB-CZ 3.42Å; E82-Y98 PolarHBondContact N-OH 3.21Å; E82-Y98 VanDerWaalsContact OE2-CD1 3.31Å; E82-Y98 WeakPolarHBondContact OE2-CD1 3.47Å; F94-Y98 HydrophobicContact CD1-CD2 4.45Å; F94-Y98 AromaticContact CE1-CD2 3.44Å; F94-Y98 HydrophobicContact CE1-CD2 3.44Å; F94-Y98 VanDerWaalsContact CE1-CD2 3.44Å; F94-Y98 HydrophobicContact CE1-CE2 4.21Å; F94-Y98 AromaticContact CE1-CG 3.94Å; F94-Y98 HydrophobicContact CE1-CG 3.94Å; F94-Y98 AromaticContact CZ-CD2 3.64Å; F94-Y98 HydrophobicContact CZ-CD2 3.64Å; F94-Y98 HydrophobicContact CZ-CE2 4.5Å; F94-Y98 HydrophobicContact CZ-CG 4.34Å; F94-Y98 PolarHBondContact O-N 3.37Å; A95-Y98 PolarHBondContact O-N 2.94Å; A95-Y98 VanDerWaalsContact O-N 3.14Å; Y98-I101 HydrophobicContact CD2-CD1 4.36Å; Y98-I101 WeakPolarHBondContact O-CB 3.39Å; Y98-I101 PolarHBondContact O-N 2.96Å; Y98-A102 PolarHBondContact O-N 3.25Å; Y98-V114 HydrophobicContact CD1-CG1 4.15Å; Y98-V114 HydrophobicContact CE1-CG1 3.43Å; Y98-V114 VanDerWaalsContact CE1-CG1 3.43Å; Y98-V114 HydrophobicContact CE2-CG1 3.99Å; Y98-V114 WeakPolarHBondContact OH-CG1 3.24Å; Y98-V115 PolarHBondContact OH-O 3.33Å; Y98-K116 HydrophobicContact CE1-CB 4.5Å
99	E	96.9	Very high	95.2	Very high	53 Å²	53	67.9 Å²	67.9	25%	0.248	35%	0.345	C	S	.	.	H	α-helix	trans	-62.4	-40	172.2	-71	171.2	177.5	0	0	112.2	N59 V61 A95 A102 Q103	N59-E99 VanDerWaalsContact CB-CD 3.48Å; N59-E99 HydrophobicContact CB-CG 3.78Å; N59-E99 WeakPolarHBondContact CB-OE1 3.4Å; N59-E99 PolarHBondContact ND2-OE1 3.19Å; V61-E99 HydrophobicContact CG2-CG 4.24Å; A95-E99 WeakPolarHBondContact O-CG 3.24Å; A95-E99 PolarHBondContact O-N 3.36Å; E99-A102 WeakPolarHBondContact O-CB 3.43Å; E99-A102 PolarHBondContact O-N 3.46Å; E99-Q103 WeakPolarHBondContact O-CG 3.48Å; E99-Q103 PolarHBondContact O-N 3Å; E99-Q103 VanDerWaalsContact O-N 3.1Å
100	K	96.5	Very high	95.1	Very high	94 Å²	94	70.1 Å²	70.1	41%	0.409	35%	0.352	S	S	.	.	H	α-helix	trans	-64.9	-43.4	173.5	-65.9	174.7	-158.7	159.5	0	111.7	P96 E97 A102 Q103 T104	P96-K100 WeakPolarHBondContact O-CG 3.27Å; P96-K100 PolarHBondContact O-N 3.21Å; E97-K100 WeakPolarHBondContact O-CB 3.39Å; E97-K100 PolarHBondContact O-N 3.39Å; E97-K100 IonicContact OE2-NZ 2.79Å; E97-K100 PolarHBondContact OE2-NZ 3.2Å; K100-A102 PolarHBondContact O-N 3.25Å; K100-Q103 WeakPolarHBondContact O-CB 3.33Å; K100-Q103 PolarHBondContact O-N 3.06Å; K100-Q103 VanDerWaalsContact O-N 3.12Å; K100-T104 PolarHBondContact O-N 2.94Å; K100-T104 PolarHBondContact O-OG1 3.45Å
101	I	97.8	Very high	95.3	Very high	0 Å²	0	68.3 Å²	68.3	0%	0	35%	0.351	C	S	.	.	H	α-helix	trans	-56.2	-43	175.4	-70.1	161.1	0	0	0	110.3	L80 F94 E97 Y98 T104 L105 E154 I157 V158	L80-I101 HydrophobicContact CD2-CG2 3.52Å; F94-I101 HydrophobicContact CE2-CD1 4.4Å; F94-I101 HydrophobicContact CZ-CD1 4.22Å; E97-I101 WeakPolarHBondContact O-CG1 3.31Å; E97-I101 PolarHBondContact O-N 2.87Å; Y98-I101 HydrophobicContact CD2-CD1 4.36Å; Y98-I101 WeakPolarHBondContact O-CB 3.39Å; Y98-I101 PolarHBondContact O-N 2.96Å; I101-T104 PolarHBondContact O-N 3.42Å; I101-L105 HydrophobicContact CG2-CD1 3.66Å; I101-L105 HydrophobicContact CG2-CG 4.23Å; I101-L105 WeakPolarHBondContact O-CB 3.43Å; I101-L105 WeakPolarHBondContact O-CG 3.45Å; I101-L105 PolarHBondContact O-N 3.16Å; I101-E154 HydrophobicContact CG1-CB 4Å; I101-E154 HydrophobicContact CG1-CG 3.96Å; I101-I157 HydrophobicContact CD1-CB 3.91Å; I101-I157 HydrophobicContact CD1-CD1 3.57Å; I101-I157 HydrophobicContact CD1-CG1 4.31Å; I101-I157 HydrophobicContact CD1-CG2 4.05Å; I101-I157 HydrophobicContact CG2-CG2 4.07Å; I101-V158 HydrophobicContact CG1-CG2 4.34Å; I101-V158 HydrophobicContact CG2-CG2 4.13Å
102	A	97.7	Very high	95.4	Very high	4 Å²	4	68.5 Å²	68.5	3%	0.033	35%	0.352	C	S	.	.	H	α-helix	trans	-61.4	-42.5	176.1	0	0	0	0	0	113	G60 V61 Y98 E99 K100 K106 V114	G60-A102 WeakPolarHBondContact O-CB 3.24Å; V61-A102 HydrophobicContact CG2-CB 3.85Å; Y98-A102 PolarHBondContact O-N 3.25Å; E99-A102 WeakPolarHBondContact O-CB 3.43Å; E99-A102 PolarHBondContact O-N 3.46Å; K100-A102 PolarHBondContact O-N 3.25Å; A102-K106 VanDerWaalsContact O-CB 3.26Å; A102-K106 WeakPolarHBondContact O-CB 3.4Å; A102-K106 PolarHBondContact O-N 3.33Å; A102-V114 HydrophobicContact CB-CB 3.75Å; A102-V114 HydrophobicContact CB-CG1 3.96Å; A102-V114 HydrophobicContact CB-CG2 4.04Å
103	Q	96.3	Very high	95.6	Very high	119 Å²	119	63.7 Å²	63.7	56%	0.556	33%	0.334	S	S	*	.	H	α-helix	trans	-62	-47.4	174.8	-68	174.3	11.6	0	0	111.7	E99 K100 L105 K106 E107	E99-Q103 WeakPolarHBondContact O-CG 3.48Å; E99-Q103 PolarHBondContact O-N 3Å; E99-Q103 VanDerWaalsContact O-N 3.1Å; K100-Q103 WeakPolarHBondContact O-CB 3.33Å; K100-Q103 PolarHBondContact O-N 3.06Å; K100-Q103 VanDerWaalsContact O-N 3.12Å; Q103-L105 PolarHBondContact O-N 3.2Å; Q103-K106 WeakPolarHBondContact O-CB 3.32Å; Q103-K106 PolarHBondContact O-N 3.23Å; Q103-E107 PolarHBondContact O-N 2.82Å
104	T	96.7	Very high	95.8	Very high	50 Å²	50	56.9 Å²	56.9	31%	0.307	30%	0.302	S	S	.	.	H	α-helix	trans	-63.8	-42.4	180	-62.6	0	0	0	0	112.1	K100 I101 K106 E107 E154 V158	K100-T104 PolarHBondContact O-N 2.94Å; K100-T104 PolarHBondContact O-OG1 3.45Å; I101-T104 PolarHBondContact O-N 3.42Å; T104-K106 VanDerWaalsContact C-N 3.33Å; T104-K106 PolarHBondContact O-N 2.8Å; T104-E107 PolarHBondContact O-N 2.98Å; T104-E154 PolarHBondContact OG1-OE1 3.41Å; T104-V158 HydrophobicContact CG2-CG1 4.02Å; T104-V158 HydrophobicContact CG2-CG2 4.02Å
105	L	96.9	Very high	95.9	Very high	1 Å²	1	56.3 Å²	56.3	1%	0.005	30%	0.3	C	S	.	.	H	α-helix	trans	-74.5	-22	179	-70.6	178.3	0	0	0	113.5	L80 I101 Q103 E107 N108 I112 V114 V158 V161	L80-L105 HydrophobicContact CB-CD1 4.42Å; L80-L105 HydrophobicContact CD2-CD1 3.8Å; I101-L105 HydrophobicContact CG2-CD1 3.66Å; I101-L105 HydrophobicContact CG2-CG 4.23Å; I101-L105 WeakPolarHBondContact O-CB 3.43Å; I101-L105 WeakPolarHBondContact O-CG 3.45Å; I101-L105 PolarHBondContact O-N 3.16Å; Q103-L105 PolarHBondContact O-N 3.2Å; L105-E107 VanDerWaalsContact C-N 3.28Å; L105-N108 VanDerWaalsContact O-CB 3.27Å; L105-N108 WeakPolarHBondContact O-CB 3.33Å; L105-N108 PolarHBondContact O-N 3.33Å; L105-I112 HydrophobicContact CB-CB 4.26Å; L105-I112 HydrophobicContact CD2-CD1 4.37Å; L105-I112 PolarHBondContact O-N 3.19Å; L105-V114 HydrophobicContact CB-CG2 3.99Å; L105-V114 HydrophobicContact CD1-CG2 3.62Å; L105-V114 HydrophobicContact CG-CG2 4.4Å; L105-V158 HydrophobicContact CD2-CG1 4.14Å; L105-V158 HydrophobicContact CD2-CG2 4.36Å; L105-V158 HydrophobicContact CG-CG2 4.3Å; L105-V161 HydrophobicContact CD1-CB 4.27Å; L105-V161 HydrophobicContact CD1-CG1 3.85Å; L105-V161 HydrophobicContact CD1-CG2 4.3Å; L105-V161 HydrophobicContact CD2-CB 4.24Å; L105-V161 HydrophobicContact CD2-CG1 3.83Å
106	K	95.2	Very high	96	Very high	126 Å²	126	56 Å²	56	55%	0.548	29%	0.292	S	S	.	.	H	α-helix	trans	-68.1	-28	171.2	-171.7	172.5	-172.6	165.1	0	112.4	E57 A102 Q103 T104 N108	E57-K106 IonicContact OE1-NZ 3.01Å; A102-K106 VanDerWaalsContact O-CB 3.26Å; A102-K106 WeakPolarHBondContact O-CB 3.4Å; A102-K106 PolarHBondContact O-N 3.33Å; Q103-K106 WeakPolarHBondContact O-CB 3.32Å; Q103-K106 PolarHBondContact O-N 3.23Å; T104-K106 VanDerWaalsContact C-N 3.33Å; T104-K106 PolarHBondContact O-N 2.8Å; K106-N108 VanDerWaalsContact C-N 3.33Å
107	E	93.4	Very high	96	Very high	174 Å²	174	52.7 Å²	52.7	81%	0.813	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.9	-7	175.3	-63.9	-175.7	175.1	0	0	113.5	Q103 T104 L105	Q103-E107 PolarHBondContact O-N 2.82Å; T104-E107 PolarHBondContact O-N 2.98Å; L105-E107 VanDerWaalsContact C-N 3.28Å
108	N	92.4	Very high	96	Very high	40 Å²	40	51.5 Å²	51.5	21%	0.214	27%	0.266	C	S	.	.	S	Bend	trans	-64.1	154.3	174.1	-168.1	69.1	0	0	0	111	L105 K106 P110 P111 I112	L105-N108 VanDerWaalsContact O-CB 3.27Å; L105-N108 WeakPolarHBondContact O-CB 3.33Å; L105-N108 PolarHBondContact O-N 3.33Å; K106-N108 VanDerWaalsContact C-N 3.33Å; N108-P110 VanDerWaalsContact C-C 3.5Å; N108-P110 CarbonylContact C-O 3.4Å; N108-P110 PolarHBondContact ND2-O 2.82Å; N108-P110 CarbonylContact O-C 3.58Å; N108-P111 VanDerWaalsContact O-CA 3.25Å; N108-P111 WeakPolarHBondContact O-CA 3.44Å; N108-P111 WeakPolarHBondContact O-CD 3.27Å; N108-I112 HydrophobicContact CB-CG1 4.46Å
109	D	88.8	Confident	95.9	Very high	152 Å²	152	51.6 Å²	51.6	81%	0.813	27%	0.268	S	S	*	.	S	Bend	trans	-118.9	107.5	173.7	-173.7	20.2	0	0	0	110.1
110	P	91.5	Very high	95.7	Very high	90 Å²	90	52 Å²	52	58%	0.584	27%	0.274	S	S	*	.	S	Bend	cis	-74.1	156.2	-2.2	31.8	-35.5	0	0	0	112.5	N108 I112	N108-P110 VanDerWaalsContact C-C 3.5Å; N108-P110 CarbonylContact C-O 3.4Å; N108-P110 PolarHBondContact ND2-O 2.82Å; N108-P110 CarbonylContact O-C 3.58Å; P110-I112 PolarHBondContact O-N 3.28Å
111	P	95.6	Very high	95.6	Very high	81 Å²	81	55.2 Å²	55.2	53%	0.526	29%	0.288	S	S	.	.	P	Polyproline II helix	trans	-57.8	136.6	177.7	-27.9	35.9	0	0	0	112.1	N108	N108-P111 VanDerWaalsContact O-CA 3.25Å; N108-P111 WeakPolarHBondContact O-CA 3.44Å; N108-P111 WeakPolarHBondContact O-CD 3.27Å
112	I	97.8	Very high	95.4	Very high	9 Å²	9	55.4 Å²	55.4	5%	0.046	29%	0.289	C	S	.	.	P	Polyproline II helix	trans	-102.4	116.6	-180	-62.2	174.1	0	0	0	109	T78 L105 N108 P110 V161	T78-I112 HydrophobicContact CG2-CD1 4.48Å; T78-I112 HydrophobicContact CG2-CG2 4.05Å; L105-I112 HydrophobicContact CB-CB 4.26Å; L105-I112 HydrophobicContact CD2-CD1 4.37Å; L105-I112 PolarHBondContact O-N 3.19Å; N108-I112 HydrophobicContact CB-CG1 4.46Å; P110-I112 PolarHBondContact O-N 3.28Å; I112-V161 HydrophobicContact CD1-CG1 3.77Å; I112-V161 HydrophobicContact CG2-CG1 3.85Å
113	P	97.6	Very high	94.9	Very high	33 Å²	33	59.9 Å²	59.9	21%	0.214	31%	0.313	C	S	.	.	P	Polyproline II helix	trans	-64.1	138	178.4	-25.3	37.5	0	0	0	112.3	L62 F72 K76 T78 V79 L80	L62-P113 HydrophobicContact CD1-CB 4.33Å; F72-P113 HydrophobicContact CE1-CB 4.18Å; F72-P113 HydrophobicContact CZ-CB 3.96Å; F72-P113 HydrophobicContact CZ-CG 4.46Å; K76-P113 HydrophobicContact CD-CG 4.04Å; T78-P113 WeakPolarHBondContact O-CD 3.45Å; V79-P113 HydrophobicContact CG1-CB 4.39Å; L80-P113 PolarHBondContact N-O 2.77Å
114	V	98.2	Very high	94.5	Very high	6 Å²	6	57.1 Å²	57.1	4%	0.036	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	125.3	174.7	-177.2	0	0	0	0	108.1	V61 L62 L80 Y98 A102 L105	V61-V114 HydrophobicContact CG1-CG1 4.45Å; L62-V114 PolarHBondContact N-O 3.33Å; L80-V114 HydrophobicContact CB-CG1 4.47Å; L80-V114 HydrophobicContact CB-CG2 4.2Å; L80-V114 HydrophobicContact CD2-CG1 4Å; L80-V114 HydrophobicContact CD2-CG2 4.14Å; L80-V114 HydrophobicContact CG-CG1 4.36Å; L80-V114 WeakPolarHBondContact O-CA 3.39Å; Y98-V114 HydrophobicContact CD1-CG1 4.15Å; Y98-V114 HydrophobicContact CE1-CG1 3.43Å; Y98-V114 VanDerWaalsContact CE1-CG1 3.43Å; Y98-V114 HydrophobicContact CE2-CG1 3.99Å; Y98-V114 WeakPolarHBondContact OH-CG1 3.24Å; A102-V114 HydrophobicContact CB-CB 3.75Å; A102-V114 HydrophobicContact CB-CG1 3.96Å; A102-V114 HydrophobicContact CB-CG2 4.04Å; L105-V114 HydrophobicContact CB-CG2 3.99Å; L105-V114 HydrophobicContact CD1-CG2 3.62Å; L105-V114 HydrophobicContact CG-CG2 4.4Å
115	V	98.1	Very high	94.3	Very high	0 Å²	0	55 Å²	55	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	149.9	-170.8	-41.2	0	0	0	0	111.1	L62 L64 F72 V79 L80 V81 E82 Y98	L62-V115 HydrophobicContact CB-CB 4.34Å; L62-V115 HydrophobicContact CB-CG1 3.99Å; L62-V115 HydrophobicContact CD1-CG1 4.29Å; L62-V115 CarbonylContact O-C 3.41Å; L62-V115 WeakPolarHBondContact O-CA 3.34Å; L62-V115 WeakPolarHBondContact O-CB 3.38Å; L64-V115 HydrophobicContact CD1-CB 3.87Å; L64-V115 HydrophobicContact CD1-CG1 4Å; L64-V115 HydrophobicContact CD1-CG2 3.74Å; L64-V115 HydrophobicContact CG-CB 4.1Å; L64-V115 HydrophobicContact CG-CG1 4.44Å; L64-V115 HydrophobicContact CG-CG2 4.37Å; F72-V115 HydrophobicContact CD1-CG1 4.38Å; F72-V115 HydrophobicContact CE1-CG1 3.66Å; F72-V115 HydrophobicContact CZ-CG1 4.2Å; V79-V115 HydrophobicContact CG1-CG1 3.78Å; V79-V115 HydrophobicContact CG1-CG2 4.07Å; L80-V115 PolarHBondContact O-N 3.08Å; V81-V115 CarbonylContact C-O 3.49Å; V81-V115 WeakPolarHBondContact CA-O 3.32Å; V81-V115 HydrophobicContact CB-CG2 4Å; V81-V115 HydrophobicContact CG1-CG2 3.87Å; V81-V115 HydrophobicContact CG2-CG2 3.7Å; E82-V115 PolarHBondContact N-O 2.61Å; Y98-V115 PolarHBondContact OH-O 3.33Å
116	K	97.8	Very high	94	Very high	27 Å²	27	55.3 Å²	55.3	12%	0.117	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	143.8	172.7	67.2	-176.2	179.5	-179.2	0	110.8	E58 V61 L62 V63 L64 E82 Y84 Y98	E58-K116 WeakPolarHBondContact OE2-CE 3.35Å; E58-K116 IonicContact OE2-NZ 3.79Å; E58-K116 PolarHBondContact OE2-NZ 3.2Å; V61-K116 HydrophobicContact CG1-CB 3.9Å; V61-K116 HydrophobicContact CG1-CD 3.93Å; V61-K116 HydrophobicContact CG1-CG 3.76Å; L62-K116 PolarHBondContact O-N 2.94Å; V63-K116 WeakPolarHBondContact CA-O 3.16Å; V63-K116 HydrophobicContact CG2-CG 4.2Å; L64-K116 PolarHBondContact N-O 3.14Å; E82-K116 HydrophobicContact CB-CB 4.44Å; E82-K116 CarbonylContact O-C 3.58Å; E82-K116 VanDerWaalsContact O-CA 3.25Å; E82-K116 WeakPolarHBondContact O-CA 3.49Å; Y84-K116 HydrophobicContact CD1-CB 3.96Å; Y84-K116 HydrophobicContact CD1-CG 4.4Å; Y84-K116 HydrophobicContact CE1-CB 3.88Å; Y84-K116 HydrophobicContact CE1-CD 3.93Å; Y84-K116 HydrophobicContact CE1-CG 3.83Å; Y98-K116 HydrophobicContact CE1-CB 4.5Å
117	V	97.6	Very high	93.4	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	121.5	-179.9	179.6	0	0	0	0	108.3	L64 F69 V81 E82 F83 Y84 A119 A122	L64-V117 HydrophobicContact CB-CG2 4.06Å; F69-V117 HydrophobicContact CD2-CG2 3.81Å; F69-V117 HydrophobicContact CE2-CG2 3.71Å; V81-V117 HydrophobicContact CG1-CG2 4.18Å; E82-V117 PolarHBondContact O-N 3.24Å; F83-V117 WeakPolarHBondContact CA-O 3.12Å; F83-V117 HydrophobicContact CD1-CB 3.7Å; F83-V117 HydrophobicContact CD1-CG1 3.88Å; F83-V117 HydrophobicContact CD1-CG2 4.38Å; F83-V117 HydrophobicContact CE1-CB 3.82Å; F83-V117 HydrophobicContact CE1-CG1 3.88Å; F83-V117 HydrophobicContact CE1-CG2 4.06Å; Y84-V117 WeakPolarHBondContact CD1-O 3.39Å; Y84-V117 PolarHBondContact N-O 2.98Å; V117-A119 PolarHBondContact O-N 3.46Å; V117-A122 HydrophobicContact CG1-CB 3.46Å; V117-A122 VanDerWaalsContact CG1-CB 3.46Å
118	D	96.8	Very high	93.1	Very high	19 Å²	19	50.7 Å²	50.7	10%	0.102	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	97.4	169	-176.1	-11.9	0	0	0	108.5	Y84 P86 T120 K121 A122	Y84-D118 HydrophobicContact CE1-CB 4.1Å; P86-D118 WeakPolarHBondContact CD-OD1 3.43Å; P86-D118 WeakPolarHBondContact CD-OD2 3.33Å; P86-D118 WeakPolarHBondContact CG-OD2 3.45Å; D118-T120 PolarHBondContact O-N 3.18Å; D118-T120 VanDerWaalsContact O-N 3.14Å; D118-T120 WeakPolarHBondContact OD1-CB 3.31Å; D118-T120 PolarHBondContact OD1-N 3.05Å; D118-T120 PolarHBondContact OD1-OG1 2.67Å; D118-K121 PolarHBondContact O-N 2.73Å; D118-A122 WeakPolarHBondContact O-CB 3.47Å; D118-A122 PolarHBondContact O-N 2.91Å
119	A	94.6	Very high	92.9	Very high	6 Å²	6	49.4 Å²	49.4	5%	0.05	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.3	-7.3	-176.8	0	0	0	0	0	113.2	F83 Y84 V117 K121 A126 V131 Y134	F83-A119 HydrophobicContact CB-CB 4.24Å; F83-A119 HydrophobicContact CD1-CB 4.35Å; Y84-A119 PolarHBondContact O-N 3.32Å; V117-A119 PolarHBondContact O-N 3.46Å; A119-K121 VanDerWaalsContact C-N 3.35Å; A119-A126 HydrophobicContact CB-CB 3.69Å; A119-V131 HydrophobicContact CB-CG1 4.3Å; A119-Y134 HydrophobicContact CB-CD1 4.29Å; A119-Y134 HydrophobicContact CB-CE1 3.4Å; A119-Y134 VanDerWaalsContact CB-CE1 3.4Å
120	T	92.8	Very high	92.7	Very high	61 Å²	61	45 Å²	45	37%	0.374	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.1	-17.1	171.8	72.3	0	0	0	0	112.9	A85 W87 D118	A85-T120 HydrophobicContact CB-CG2 3.54Å; W87-T120 HydrophobicContact CZ2-CG2 4.39Å; D118-T120 PolarHBondContact O-N 3.18Å; D118-T120 VanDerWaalsContact O-N 3.14Å; D118-T120 WeakPolarHBondContact OD1-CB 3.31Å; D118-T120 PolarHBondContact OD1-N 3.05Å; D118-T120 PolarHBondContact OD1-OG1 2.67Å
121	K	94.3	Very high	92.5	Very high	162 Å²	162	41.7 Å²	41.7	70%	0.704	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-112.2	-35.2	176.5	-63.1	-173.6	177.3	-170.7	0	112.6	D118 A119 D123	D118-K121 PolarHBondContact O-N 2.73Å; A119-K121 VanDerWaalsContact C-N 3.35Å; K121-D123 VanDerWaalsContact C-N 3.34Å; K121-D123 PolarHBondContact O-N 2.99Å
122	A	93.2	Very high	91.9	Very high	3 Å²	3	43.4 Å²	43.4	3%	0.025	24%	0.24	C	C	.	.			trans	-94	58.6	179.3	0	0	0	0	0	111.7	N66 V117 D118 A124 V125 A126	N66-A122 VanDerWaalsContact OD1-CA 3.23Å; N66-A122 WeakPolarHBondContact OD1-CA 3.36Å; N66-A122 WeakPolarHBondContact OD1-CB 2.99Å; N66-A122 PolarHBondContact OD1-O 2.61Å; V117-A122 HydrophobicContact CG1-CB 3.46Å; V117-A122 VanDerWaalsContact CG1-CB 3.46Å; D118-A122 WeakPolarHBondContact O-CB 3.47Å; D118-A122 PolarHBondContact O-N 2.91Å; A122-A124 PolarHBondContact O-N 3.44Å; A122-V125 PolarHBondContact O-N 3.09Å; A122-A126 VanDerWaalsContact O-CB 3.23Å; A122-A126 WeakPolarHBondContact O-CB 3.4Å; A122-A126 PolarHBondContact O-N 2.86Å
123	D	87.8	Confident	91.4	Very high	99 Å²	99	44.4 Å²	44.4	53%	0.529	25%	0.252	S	S	.	.	H	α-helix	trans	-59	-40.8	-175.3	65.8	-27.3	0	0	0	113.9	N66 K121 A126 S127	N66-D123 PolarHBondContact ND2-OD1 3.27Å; K121-D123 VanDerWaalsContact C-N 3.34Å; K121-D123 PolarHBondContact O-N 2.99Å; D123-A126 PolarHBondContact O-N 3.06Å; D123-S127 WeakPolarHBondContact O-CB 3.08Å; D123-S127 PolarHBondContact O-N 3.36Å; D123-S127 PolarHBondContact O-OG 3.4Å
124	A	87.6	Confident	91.2	Very high	60 Å²	60	45.9 Å²	45.9	50%	0.496	25%	0.254	S	S	.	.	H	α-helix	trans	-64.5	-47.1	178.9	0	0	0	0	0	111.5	N66 A122 R128	N66-A124 PolarHBondContact OD1-N 2.78Å; A122-A124 PolarHBondContact O-N 3.44Å; A124-R128 WeakPolarHBondContact O-CB 3.41Å; A124-R128 PolarHBondContact O-N 2.7Å
125	V	91.6	Very high	91	Very high	6 Å²	6	45.7 Å²	45.7	4%	0.036	25%	0.253	C	S	.	.	H	α-helix	trans	-67.4	-45.6	176.7	179.8	0	0	0	0	110.3	N66 F69 F83 A122 S127 R128 F129	N66-V125 WeakPolarHBondContact OD1-CG2 3.46Å; N66-V125 PolarHBondContact OD1-N 3.46Å; N66-V125 VanDerWaalsContact OD1-N 3.15Å; F69-V125 HydrophobicContact CB-CG2 3.97Å; F69-V125 HydrophobicContact CD1-CG1 4.04Å; F69-V125 HydrophobicContact CD2-CG1 3.7Å; F69-V125 HydrophobicContact CE1-CG1 4.11Å; F69-V125 HydrophobicContact CE2-CG1 3.78Å; F69-V125 HydrophobicContact CG-CG1 3.83Å; F69-V125 HydrophobicContact CG-CG2 4.13Å; F69-V125 HydrophobicContact CZ-CG1 3.97Å; F83-V125 HydrophobicContact CE1-CG1 3.83Å; F83-V125 HydrophobicContact CZ-CG1 4.15Å; A122-V125 PolarHBondContact O-N 3.09Å; V125-S127 VanDerWaalsContact C-N 3.31Å; V125-S127 PolarHBondContact O-N 3.28Å; V125-R128 PolarHBondContact O-N 2.8Å; V125-F129 HydrophobicContact CG1-CD2 3.82Å; V125-F129 HydrophobicContact CG1-CE2 3.89Å; V125-F129 VanDerWaalsContact O-CD2 3.26Å; V125-F129 WeakPolarHBondContact O-CD2 3.16Å; V125-F129 PolarHBondContact O-N 3.39Å; V125-F129 VanDerWaalsContact O-N 3.09Å
126	A	91.5	Very high	90.9	Very high	7 Å²	7	47.1 Å²	47.1	6%	0.058	26%	0.262	C	S	.	.	H	α-helix	trans	-59.5	-41.7	178.6	0	0	0	0	0	112.2	A119 A122 D123 F129 D130 V131	A119-A126 HydrophobicContact CB-CB 3.69Å; A122-A126 VanDerWaalsContact O-CB 3.23Å; A122-A126 WeakPolarHBondContact O-CB 3.4Å; A122-A126 PolarHBondContact O-N 2.86Å; D123-A126 PolarHBondContact O-N 3.06Å; A126-F129 CarbonylContact O-C 3.29Å; A126-F129 PolarHBondContact O-N 2.59Å; A126-D130 PolarHBondContact O-N 3Å; A126-V131 HydrophobicContact CB-CB 4.16Å; A126-V131 HydrophobicContact CB-CG2 4.31Å; A126-V131 WeakPolarHBondContact O-CB 3.47Å; A126-V131 WeakPolarHBondContact O-CG2 3.18Å; A126-V131 PolarHBondContact O-N 3Å
127	S	83.6	Confident	90.8	Very high	84 Å²	84	46.1 Å²	46.1	59%	0.587	26%	0.258	S	S	*	.	H	α-helix	trans	-66.9	-42.6	176.9	-60	0	0	0	0	111.6	D123 V125 F129 D130	D123-S127 WeakPolarHBondContact O-CB 3.08Å; D123-S127 PolarHBondContact O-N 3.36Å; D123-S127 PolarHBondContact O-OG 3.4Å; V125-S127 VanDerWaalsContact C-N 3.31Å; V125-S127 PolarHBondContact O-N 3.28Å; S127-F129 PolarHBondContact O-N 2.88Å; S127-D130 PolarHBondContact O-N 2.78Å
128	R	85.8	Confident	90.7	Very high	119 Å²	119	46.8 Å²	46.8	45%	0.449	26%	0.26	S	S	.	.	H	α-helix	trans	-59.6	-34	177.1	-176.8	176.8	64.8	-176.3	4.3	112.7	F69 D70 A124 V125	F69-R128 VanDerWaalsContact CE1-NH2 3.34Å; D70-R128 VanDerWaalsContact CG-NH1 3.29Å; D70-R128 IonicContact OD1-CZ 3.48Å; D70-R128 IonicContact OD1-NH1 3.57Å; D70-R128 PolarHBondContact OD1-NH1 3.33Å; D70-R128 IonicContact OD1-NH2 2.83Å; D70-R128 PolarHBondContact OD1-NH2 2.85Å; D70-R128 IonicContact OD2-NH1 2.72Å; D70-R128 PolarHBondContact OD2-NH1 3.31Å; A124-R128 WeakPolarHBondContact O-CB 3.41Å; A124-R128 PolarHBondContact O-N 2.7Å; V125-R128 PolarHBondContact O-N 2.8Å
129	F	87.8	Confident	90.8	Very high	13 Å²	13	45.9 Å²	45.9	6%	0.057	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.8	18.4	176.8	-69.5	-73.4	0	0	0	113.2	F69 F83 V125 A126 S127 V131 K138 L140 P145	F69-F129 HydrophobicContact CD1-CE2 4.41Å; F69-F129 AromaticContact CE1-CE2 3.43Å; F69-F129 HydrophobicContact CE1-CE2 3.43Å; F69-F129 VanDerWaalsContact CE1-CE2 3.43Å; F69-F129 AromaticContact CE1-CZ 3.8Å; F69-F129 HydrophobicContact CE1-CZ 3.8Å; F69-F129 HydrophobicContact CZ-CD2 4.37Å; F69-F129 AromaticContact CZ-CE2 3.53Å; F69-F129 HydrophobicContact CZ-CE2 3.53Å; F69-F129 HydrophobicContact CZ-CZ 4Å; F83-F129 HydrophobicContact CE1-CD2 4.35Å; F83-F129 HydrophobicContact CE2-CB 3.87Å; F83-F129 HydrophobicContact CE2-CD2 4.27Å; F83-F129 HydrophobicContact CE2-CG 4.14Å; F83-F129 HydrophobicContact CZ-CB 3.79Å; F83-F129 AromaticContact CZ-CD2 3.52Å; F83-F129 HydrophobicContact CZ-CD2 3.52Å; F83-F129 HydrophobicContact CZ-CE2 4.32Å; F83-F129 AromaticContact CZ-CG 3.82Å; F83-F129 HydrophobicContact CZ-CG 3.82Å; V125-F129 HydrophobicContact CG1-CD2 3.82Å; V125-F129 HydrophobicContact CG1-CE2 3.89Å; V125-F129 VanDerWaalsContact O-CD2 3.26Å; V125-F129 WeakPolarHBondContact O-CD2 3.16Å; V125-F129 PolarHBondContact O-N 3.39Å; V125-F129 VanDerWaalsContact O-N 3.09Å; A126-F129 CarbonylContact O-C 3.29Å; A126-F129 PolarHBondContact O-N 2.59Å; S127-F129 PolarHBondContact O-N 2.88Å; F129-V131 HydrophobicContact CB-CG2 4.23Å; F129-V131 PolarHBondContact O-N 3.1Å; F129-V131 VanDerWaalsContact O-N 3.13Å; F129-K138 HydrophobicContact CB-CD 4.24Å; F129-K138 HydrophobicContact CD1-CD 4.14Å; F129-K138 WeakPolarHBondContact O-CE 3Å; F129-K138 PolarHBondContact O-NZ 2.91Å; F129-L140 HydrophobicContact CD1-CD2 4.23Å; F129-L140 HydrophobicContact CE1-CD1 4.42Å; F129-L140 HydrophobicContact CE1-CD2 3.47Å; F129-L140 VanDerWaalsContact CE1-CD2 3.47Å; F129-L140 HydrophobicContact CZ-CD1 4.05Å; F129-L140 HydrophobicContact CZ-CD2 3.95Å; F129-P145 HydrophobicContact CD1-CB 3.76Å; F129-P145 HydrophobicContact CD1-CG 4.02Å; F129-P145 HydrophobicContact CE1-CB 3.84Å; F129-P145 HydrophobicContact CE1-CG 4.02Å
130	D	84.7	Confident	90.8	Very high	61 Å²	61	45.7 Å²	45.7	33%	0.326	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	55	36.6	171.7	-79.7	-55.6	0	0	0	113.7	A126 S127 T132 K207	A126-D130 PolarHBondContact O-N 3Å; S127-D130 PolarHBondContact O-N 2.78Å; D130-T132 PolarHBondContact O-N 2.74Å; D130-K207 PolarHBondContact O-NZ 2.7Å
131	V	87.1	Confident	90.8	Very high	20 Å²	20	43.5 Å²	43.5	12%	0.121	24%	0.239	C	C	.	.			trans	-74.5	109.9	-177.2	-179.6	0	0	0	0	109.9	F83 A119 A126 F129 Y134 T136	F83-V131 HydrophobicContact CB-CB 4.47Å; F83-V131 HydrophobicContact CB-CG1 3.8Å; F83-V131 HydrophobicContact CB-CG2 3.79Å; F83-V131 HydrophobicContact CD1-CG2 3.76Å; F83-V131 HydrophobicContact CD2-CG2 3.57Å; F83-V131 HydrophobicContact CE1-CG2 4.22Å; F83-V131 HydrophobicContact CE2-CG2 4.04Å; F83-V131 HydrophobicContact CG-CG1 4.36Å; F83-V131 HydrophobicContact CG-CG2 3.41Å; F83-V131 VanDerWaalsContact CG-CG2 3.41Å; F83-V131 HydrophobicContact CZ-CG2 4.35Å; A119-V131 HydrophobicContact CB-CG1 4.3Å; A126-V131 HydrophobicContact CB-CB 4.16Å; A126-V131 HydrophobicContact CB-CG2 4.31Å; A126-V131 WeakPolarHBondContact O-CB 3.47Å; A126-V131 WeakPolarHBondContact O-CG2 3.18Å; A126-V131 PolarHBondContact O-N 3Å; F129-V131 HydrophobicContact CB-CG2 4.23Å; F129-V131 PolarHBondContact O-N 3.1Å; F129-V131 VanDerWaalsContact O-N 3.13Å; V131-Y134 HydrophobicContact CG1-CD1 4.06Å; V131-Y134 HydrophobicContact CG1-CE1 3.6Å; V131-T136 HydrophobicContact CG2-CG2 4.46Å
132	T	83.4	Confident	90.6	Very high	117 Å²	117	41.1 Å²	41.1	72%	0.718	23%	0.234	S	C	*	.			trans	-115.6	5.9	-178.6	59.5	0	0	0	0	113.8	D130	D130-T132 PolarHBondContact O-N 2.74Å
133	G	88.5	Confident	90.3	Very high	29 Å²	29	42.5 Å²	42.5	30%	0.299	25%	0.248	S	C	.	.	S	Bend	trans	-172	165.7	-179.2	0	0	0	0	0	112.1	T136	G133-T136 PolarHBondContact O-OG1 3.49Å
134	Y	93.1	Very high	90.3	Very high	65 Å²	65	44.1 Å²	44.1	26%	0.255	25%	0.253	S	S	.	.	S	Bend	trans	-129.1	141.2	-172.2	-48.7	-58.6	0	0	0	112.4	A85 W87 A119 V131	A85-Y134 HydrophobicContact CB-CD2 3.53Å; A85-Y134 HydrophobicContact CB-CE2 3.79Å; A85-Y134 HydrophobicContact CB-CG 3.95Å; W87-Y134 HydrophobicContact CH2-CD2 4.25Å; W87-Y134 HydrophobicContact CH2-CE2 4.28Å; W87-Y134 HydrophobicContact CZ2-CE2 4.26Å; A119-Y134 HydrophobicContact CB-CD1 4.29Å; A119-Y134 HydrophobicContact CB-CE1 3.4Å; A119-Y134 VanDerWaalsContact CB-CE1 3.4Å; V131-Y134 HydrophobicContact CG1-CD1 4.06Å; V131-Y134 HydrophobicContact CG1-CE1 3.6Å
135	P	94.2	Very high	90.4	Very high	1 Å²	1	44.6 Å²	44.6	1%	0.006	25%	0.251	C	S	.	.	S	Bend	cis	-71.6	144.4	-13.4	29.1	-33.8	0	0	0	111.8	E82 F83 C91 F94 R152	E82-P135 HydrophobicContact CG-CB 3.99Å; E82-P135 VanDerWaalsContact OE1-CB 3.24Å; E82-P135 WeakPolarHBondContact OE1-CB 3.25Å; F83-P135 WeakPolarHBondContact O-CA 3.46Å; C91-P135 VanDerWaalsContact SG-CD 3.56Å; C91-P135 VanDerWaalsContact SG-N 3.44Å; F94-P135 HydrophobicContact CD1-CB 4.42Å; F94-P135 HydrophobicContact CD1-CG 4.19Å; P135-R152 PolarHBondContact O-NH2 3.28Å
136	T	94.8	Very high	90.3	Very high	30 Å²	30	45.4 Å²	45.4	18%	0.184	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	128.1	167.2	-71.1	0	0	0	0	108.8	F83 V131 G133 K138	F83-T136 PolarHBondContact N-O 3.28Å; F83-T136 PolarHBondContact O-N 3.36Å; V131-T136 HydrophobicContact CG2-CG2 4.46Å; G133-T136 PolarHBondContact O-OG1 3.49Å; T136-K138 HydrophobicContact CG2-CG 4.28Å
137	I	97.1	Very high	90.1	Very high	7 Å²	7	49.3 Å²	49.3	4%	0.036	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	129.7	-177.8	-57.3	169.6	0	0	0	108.5	L80 V81 F94 Y148 R152 I157	L80-I137 HydrophobicContact CD1-CG2 3.59Å; V81-I137 CarbonylContact O-C 3.08Å; V81-I137 WeakPolarHBondContact O-CA 3.3Å; F94-I137 HydrophobicContact CE1-CD1 3.68Å; F94-I137 HydrophobicContact CE1-CG1 4.25Å; F94-I137 HydrophobicContact CZ-CD1 3.67Å; I137-Y148 HydrophobicContact CB-CD1 4.21Å; I137-Y148 HydrophobicContact CB-CG 4.49Å; I137-Y148 HydrophobicContact CD1-CD1 4.12Å; I137-Y148 HydrophobicContact CG2-CD1 4.22Å; I137-Y148 HydrophobicContact CG2-CG 4.22Å; I137-Y148 PolarHBondContact O-N 3.38Å; I137-R152 HydrophobicContact CD1-CG 4.12Å; I137-I157 HydrophobicContact CD1-CD1 3.73Å
138	K	95.8	Very high	90.5	Very high	13 Å²	13	46.5 Å²	46.5	6%	0.057	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	148.5	174.2	-61.4	-139.9	-169.5	-73.9	0	110.9	V81 F83 F129 T136 P145 D147	V81-K138 PolarHBondContact N-O 3.01Å; V81-K138 PolarHBondContact O-N 2.85Å; F83-K138 HydrophobicContact CE2-CG 4.3Å; F129-K138 HydrophobicContact CB-CD 4.24Å; F129-K138 HydrophobicContact CD1-CD 4.14Å; F129-K138 WeakPolarHBondContact O-CE 3Å; F129-K138 PolarHBondContact O-NZ 2.91Å; T136-K138 HydrophobicContact CG2-CG 4.28Å; K138-P145 HydrophobicContact CD-CB 3.83Å; K138-D147 WeakPolarHBondContact CE-OD1 3.45Å; K138-D147 IonicContact NZ-OD1 2.7Å; K138-D147 PolarHBondContact NZ-OD1 2.9Å; K138-D147 IonicContact NZ-OD2 2.8Å
139	I	96.9	Very high	90.4	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	114.1	172.8	-51.6	168	0	0	0	106.5	T78 V79 L80 V146 Y148 R160 V161 V164	T78-I139 HydrophobicContact CG2-CG2 3.93Å; V79-I139 CarbonylContact O-C 3.55Å; L80-I139 HydrophobicContact CD1-CG1 4Å; I139-V146 HydrophobicContact CB-CB 4.29Å; I139-V146 PolarHBondContact N-O 3.16Å; I139-V146 WeakPolarHBondContact O-CB 3.27Å; I139-V146 PolarHBondContact O-N 2.84Å; I139-Y148 HydrophobicContact CD1-CD2 4.47Å; I139-R160 HydrophobicContact CD1-CB 4.36Å; I139-R160 HydrophobicContact CD1-CG 3.68Å; I139-V161 HydrophobicContact CD1-CG2 3.8Å; I139-V161 HydrophobicContact CG1-CG2 3.96Å; I139-V164 HydrophobicContact CD1-CG2 4.16Å; I139-V164 HydrophobicContact CG2-CB 4.04Å; I139-V164 HydrophobicContact CG2-CG1 3.69Å; I139-V164 HydrophobicContact CG2-CG2 4.46Å
140	L	95.1	Very high	90.4	Very high	2 Å²	2	49.6 Å²	49.6	1%	0.01	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	121.3	176.5	-54.4	-172.7	0	0	0	108.8	F69 I73 T78 V79 V81 F129 E144 P145	F69-L140 HydrophobicContact CE1-CD1 4.14Å; F69-L140 HydrophobicContact CZ-CD1 3.89Å; I73-L140 HydrophobicContact CD1-CD1 3.72Å; I73-L140 HydrophobicContact CG1-CD1 3.96Å; I73-L140 HydrophobicContact CG2-CD1 4.12Å; T78-L140 CarbonylContact C-O 3.6Å; T78-L140 VanDerWaalsContact CA-O 3.24Å; T78-L140 WeakPolarHBondContact CA-O 3.4Å; V79-L140 HydrophobicContact CB-CB 4.34Å; V79-L140 PolarHBondContact N-O 3.36Å; V79-L140 PolarHBondContact O-N 3.18Å; V81-L140 HydrophobicContact CG2-CD1 3.81Å; V81-L140 HydrophobicContact CG2-CG 3.8Å; F129-L140 HydrophobicContact CD1-CD2 4.23Å; F129-L140 HydrophobicContact CE1-CD1 4.42Å; F129-L140 HydrophobicContact CE1-CD2 3.47Å; F129-L140 VanDerWaalsContact CE1-CD2 3.47Å; F129-L140 HydrophobicContact CZ-CD1 4.05Å; F129-L140 HydrophobicContact CZ-CD2 3.95Å; L140-E144 CarbonylContact C-O 3.55Å; L140-E144 WeakPolarHBondContact CA-O 3.32Å; L140-P145 HydrophobicContact CD2-CB 3.82Å
141	K	92.6	Very high	90.8	Very high	15 Å²	15	53.2 Å²	53.2	7%	0.065	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	110.3	172	-176.7	57.3	160.9	179.3	0	108.3	D77 T78 G143 E144 V164 S165 W169	D77-K141 CarbonylContact O-C 3.58Å; D77-K141 WeakPolarHBondContact O-CA 3.32Å; D77-K141 WeakPolarHBondContact O-CD 3.34Å; D77-K141 IonicContact OD1-NZ 3.05Å; D77-K141 PolarHBondContact OD1-NZ 2.93Å; D77-K141 IonicContact OD2-NZ 3.75Å; D77-K141 PolarHBondContact OD2-NZ 2.78Å; T78-K141 PolarHBondContact OG1-NZ 2.9Å; K141-G143 PolarHBondContact O-N 2.67Å; K141-E144 PolarHBondContact N-O 2.62Å; K141-E144 WeakPolarHBondContact O-CB 3.48Å; K141-E144 PolarHBondContact O-N 2.81Å; K141-V164 HydrophobicContact CB-CG1 3.9Å; K141-V164 HydrophobicContact CD-CG1 4.42Å; K141-V164 WeakPolarHBondContact CE-O 3.38Å; K141-V164 HydrophobicContact CG-CG1 4.29Å; K141-V164 PolarHBondContact NZ-O 3.48Å; K141-S165 PolarHBondContact NZ-O 2.88Å; K141-W169 HydrophobicContact CB-CZ3 4.42Å; K141-W169 HydrophobicContact CG-CE3 4.1Å; K141-W169 HydrophobicContact CG-CZ3 4.39Å
142	N	90.3	Very high	91.1	Very high	113 Å²	113	58.1 Å²	58.1	60%	0.604	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.5	39.4	-172	-57.9	-59.6	0	0	0	112.7	D77 E144	D77-N142 PolarHBondContact O-N 2.89Å; N142-E144 VanDerWaalsContact C-N 3.27Å; N142-E144 PolarHBondContact O-N 3.31Å
143	G	87.3	Confident	91.6	Very high	31 Å²	31	54.7 Å²	54.7	32%	0.32	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	82.5	-14.5	-176.6	0	0	0	0	0	115.4	K141	K141-G143 PolarHBondContact O-N 2.67Å
144	E	86.9	Confident	91.9	Very high	134 Å²	134	56.2 Å²	56.2	63%	0.626	30%	0.296	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.8	129.6	177	-64.7	-168.2	158.6	0	0	111.4	L140 K141 N142	L140-E144 CarbonylContact C-O 3.55Å; L140-E144 WeakPolarHBondContact CA-O 3.32Å; K141-E144 PolarHBondContact N-O 2.62Å; K141-E144 WeakPolarHBondContact O-CB 3.48Å; K141-E144 PolarHBondContact O-N 2.81Å; N142-E144 VanDerWaalsContact C-N 3.27Å; N142-E144 PolarHBondContact O-N 3.31Å
145	P	89.9	Confident	92.1	Very high	70 Å²	70	61.4 Å²	61.4	46%	0.455	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77	135	-178.3	29.4	-32.7	0	0	0	113.2	F129 K138 L140	F129-P145 HydrophobicContact CD1-CB 3.76Å; F129-P145 HydrophobicContact CD1-CG 4.02Å; F129-P145 HydrophobicContact CE1-CB 3.84Å; F129-P145 HydrophobicContact CE1-CG 4.02Å; K138-P145 HydrophobicContact CD-CB 3.83Å; L140-P145 HydrophobicContact CD2-CB 3.82Å
146	V	89.9	Confident	92.1	Very high	22 Å²	22	62.8 Å²	62.8	13%	0.133	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	120.5	167.8	-175.1	0	0	0	0	108.1	I139 V164 W169	I139-V146 HydrophobicContact CB-CB 4.29Å; I139-V146 PolarHBondContact N-O 3.16Å; I139-V146 WeakPolarHBondContact O-CB 3.27Å; I139-V146 PolarHBondContact O-N 2.84Å; V146-V164 HydrophobicContact CG1-CG2 4.37Å; V146-V164 HydrophobicContact CG2-CG1 4.31Å; V146-W169 HydrophobicContact CB-CH2 4.39Å; V146-W169 HydrophobicContact CG1-CH2 3.97Å; V146-W169 HydrophobicContact CG1-CZ2 4.43Å; V146-W169 HydrophobicContact CG2-CH2 3.48Å; V146-W169 VanDerWaalsContact CG2-CH2 3.48Å; V146-W169 HydrophobicContact CG2-CZ3 3.74Å
147	D	88.3	Confident	92.3	Very high	89 Å²	89	61.3 Å²	61.3	48%	0.476	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	143.6	179.8	-72.3	-11.9	0	0	0	111.9	K138	K138-D147 WeakPolarHBondContact CE-OD1 3.45Å; K138-D147 IonicContact NZ-OD1 2.7Å; K138-D147 PolarHBondContact NZ-OD1 2.9Å; K138-D147 IonicContact NZ-OD2 2.8Å
148	Y	91.3	Very high	92.3	Very high	26 Å²	26	61.8 Å²	61.8	10%	0.102	33%	0.325	C	S	.	.			trans	-116.8	105.3	174.5	-176.2	-91.2	0	0	0	111	I137 I139 G150 E151 A156 I157 R160	I137-Y148 HydrophobicContact CB-CD1 4.21Å; I137-Y148 HydrophobicContact CB-CG 4.49Å; I137-Y148 HydrophobicContact CD1-CD1 4.12Å; I137-Y148 HydrophobicContact CG2-CD1 4.22Å; I137-Y148 HydrophobicContact CG2-CG 4.22Å; I137-Y148 PolarHBondContact O-N 3.38Å; I139-Y148 HydrophobicContact CD1-CD2 4.47Å; Y148-G150 VanDerWaalsContact CE1-C 3.46Å; Y148-G150 WeakPolarHBondContact CE1-O 3.37Å; Y148-E151 PolarHBondContact OH-N 2.83Å; Y148-E151 PolarHBondContact OH-O 2.86Å; Y148-A156 WeakPolarHBondContact OH-CB 3.33Å; Y148-A156 PolarHBondContact OH-O 3.27Å; Y148-I157 HydrophobicContact CD1-CG1 4.16Å; Y148-I157 HydrophobicContact CE1-CD1 4.15Å; Y148-I157 HydrophobicContact CE1-CG1 3.44Å; Y148-I157 VanDerWaalsContact CE1-CG1 3.44Å; Y148-I157 HydrophobicContact CE2-CG1 4.06Å; Y148-I157 WeakPolarHBondContact OH-CG1 3.34Å; Y148-I157 PolarHBondContact OH-N 2.93Å; Y148-R160 HydrophobicContact CD2-CB 4.03Å; Y148-R160 HydrophobicContact CD2-CG 3.79Å; Y148-R160 HydrophobicContact CE2-CB 3.72Å; Y148-R160 HydrophobicContact CE2-CG 3.96Å
149	D	83.9	Confident	92.3	Very high	156 Å²	156	64 Å²	64	83%	0.834	35%	0.346	S	S	*	.			trans	-105.2	10.4	177.6	-60.9	-53.3	0	0	0	113.3
150	G	88.5	Confident	92.2	Very high	40 Å²	40	67.1 Å²	67.1	41%	0.412	36%	0.358	S	S	.	.	S	Bend	trans	-77.3	-177.3	-178.6	0	0	0	0	0	114	Y148	Y148-G150 VanDerWaalsContact CE1-C 3.46Å; Y148-G150 WeakPolarHBondContact CE1-O 3.37Å
151	E	91.1	Very high	92.3	Very high	137 Å²	137	67 Å²	67	64%	0.64	36%	0.357	S	S	*	.			trans	-64.3	135.1	175.4	-61.9	-178.4	170	0	0	111.4	Y148 N153 A156	Y148-E151 PolarHBondContact OH-N 2.83Å; Y148-E151 PolarHBondContact OH-O 2.86Å; E151-N153 VanDerWaalsContact CB-ND2 3.29Å; E151-N153 WeakPolarHBondContact CB-ND2 3.44Å; E151-N153 PolarHBondContact O-N 2.82Å; E151-N153 PolarHBondContact OE2-ND2 2.82Å; E151-A156 HydrophobicContact CB-CB 4.11Å; E151-A156 WeakPolarHBondContact O-CB 3.26Å
152	R	94.1	Very high	92.5	Very high	123 Å²	123	69.2 Å²	69.2	46%	0.464	37%	0.369	S	S	.	.	S	Bend	trans	-80.2	58.4	-179.5	-62	-178.9	-175.9	159.1	-4.3	112.3	F94 P135 I137	F94-R152 HydrophobicContact CD2-CB 3.9Å; F94-R152 HydrophobicContact CE2-CB 3.74Å; F94-R152 WeakPolarHBondContact CE2-O 3.47Å; F94-R152 HydrophobicContact CZ-CB 4.39Å; P135-R152 PolarHBondContact O-NH2 3.28Å; I137-R152 HydrophobicContact CD1-CG 4.12Å
153	N	94.6	Very high	92.6	Very high	46 Å²	46	68.2 Å²	68.2	25%	0.246	36%	0.361	C	S	.	.	S	Bend	trans	-129.2	159.5	174	64.4	65.1	0	0	0	111.4	E151 K155 A156 I157	E151-N153 VanDerWaalsContact CB-ND2 3.29Å; E151-N153 WeakPolarHBondContact CB-ND2 3.44Å; E151-N153 PolarHBondContact O-N 2.82Å; E151-N153 PolarHBondContact OE2-ND2 2.82Å; N153-K155 VanDerWaalsContact C-N 3.34Å; N153-K155 PolarHBondContact O-N 2.85Å; N153-K155 PolarHBondContact OD1-N 2.74Å; N153-A156 PolarHBondContact O-N 3.16Å; N153-A156 WeakPolarHBondContact OD1-CB 3.41Å; N153-A156 PolarHBondContact OD1-N 2.8Å; N153-I157 PolarHBondContact O-N 3.08Å; N153-I157 VanDerWaalsContact O-N 3.1Å
154	E	94.9	Very high	92.9	Very high	60 Å²	60	66.7 Å²	66.7	28%	0.28	35%	0.346	S	S	.	.	H	α-helix	trans	-52.6	-51	-175	-176.5	-172.9	176.6	0	0	112.4	E97 I101 T104 A156 I157 V158	E97-E154 WeakPolarHBondContact OE1-CB 3.46Å; E97-E154 PolarHBondContact OE1-N 3.18Å; I101-E154 HydrophobicContact CG1-CB 4Å; I101-E154 HydrophobicContact CG1-CG 3.96Å; T104-E154 PolarHBondContact OG1-OE1 3.41Å; E154-A156 PolarHBondContact O-N 2.97Å; E154-I157 PolarHBondContact O-N 3.48Å; E154-V158 HydrophobicContact CG-CG2 4.03Å; E154-V158 VanDerWaalsContact O-CB 3.25Å; E154-V158 WeakPolarHBondContact O-CB 3.45Å; E154-V158 WeakPolarHBondContact O-CG2 3.27Å; E154-V158 PolarHBondContact O-N 3.2Å
155	K	96	Very high	93.3	Very high	175 Å²	175	61.1 Å²	61.1	76%	0.761	32%	0.321	S	S	*	.	H	α-helix	trans	-58.5	-47.3	-176	-176.5	-177.3	177.9	-174.9	0	112.1	N153 A159	N153-K155 VanDerWaalsContact C-N 3.34Å; N153-K155 PolarHBondContact O-N 2.85Å; N153-K155 PolarHBondContact OD1-N 2.74Å; K155-A159 WeakPolarHBondContact O-CB 3.48Å; K155-A159 PolarHBondContact O-N 3.12Å; K155-A159 VanDerWaalsContact O-N 3.16Å
156	A	95.7	Very high	93.5	Very high	29 Å²	29	62.3 Å²	62.3	24%	0.24	32%	0.321	C	S	.	.	H	α-helix	trans	-72.6	-37.9	-175.3	0	0	0	0	0	112.2	Y148 E151 N153 E154 R160	Y148-A156 WeakPolarHBondContact OH-CB 3.33Å; Y148-A156 PolarHBondContact OH-O 3.27Å; E151-A156 HydrophobicContact CB-CB 4.11Å; E151-A156 WeakPolarHBondContact O-CB 3.26Å; N153-A156 PolarHBondContact O-N 3.16Å; N153-A156 WeakPolarHBondContact OD1-CB 3.41Å; N153-A156 PolarHBondContact OD1-N 2.8Å; E154-A156 PolarHBondContact O-N 2.97Å; A156-R160 PolarHBondContact O-N 3.41Å
157	I	97.4	Very high	93.4	Very high	0 Å²	0	67.2 Å²	67.2	0%	0	35%	0.353	C	S	.	.	H	α-helix	trans	-73	-49.8	179	-68.8	168.4	0	0	0	110.5	L80 F94 I101 I137 Y148 N153 E154 A159 R160 V161	L80-I157 HydrophobicContact CD1-CG2 4.14Å; L80-I157 HydrophobicContact CD2-CG2 3.74Å; F94-I157 HydrophobicContact CE2-CD1 3.91Å; F94-I157 HydrophobicContact CZ-CD1 3.5Å; F94-I157 VanDerWaalsContact CZ-CD1 3.5Å; I101-I157 HydrophobicContact CD1-CB 3.91Å; I101-I157 HydrophobicContact CD1-CD1 3.57Å; I101-I157 HydrophobicContact CD1-CG1 4.31Å; I101-I157 HydrophobicContact CD1-CG2 4.05Å; I101-I157 HydrophobicContact CG2-CG2 4.07Å; I137-I157 HydrophobicContact CD1-CD1 3.73Å; Y148-I157 HydrophobicContact CD1-CG1 4.16Å; Y148-I157 HydrophobicContact CE1-CD1 4.15Å; Y148-I157 HydrophobicContact CE1-CG1 3.44Å; Y148-I157 VanDerWaalsContact CE1-CG1 3.44Å; Y148-I157 HydrophobicContact CE2-CG1 4.06Å; Y148-I157 WeakPolarHBondContact OH-CG1 3.34Å; Y148-I157 PolarHBondContact OH-N 2.93Å; N153-I157 PolarHBondContact O-N 3.08Å; N153-I157 VanDerWaalsContact O-N 3.1Å; E154-I157 PolarHBondContact O-N 3.48Å; I157-A159 VanDerWaalsContact C-N 3.33Å; I157-A159 PolarHBondContact O-N 3.29Å; I157-R160 PolarHBondContact O-N 3.34Å; I157-R160 VanDerWaalsContact O-N 3.14Å; I157-V161 HydrophobicContact CG2-CG2 4.13Å; I157-V161 WeakPolarHBondContact O-CG2 3.4Å; I157-V161 PolarHBondContact O-N 3.28Å
158	V	97.4	Very high	93.1	Very high	16 Å²	16	66.4 Å²	66.4	10%	0.097	37%	0.366	C	S	.	.	H	α-helix	trans	-58.8	-45.1	-179.8	170.9	0	0	0	0	110.8	I101 T104 L105 E154 R160 V161 I162	I101-V158 HydrophobicContact CG1-CG2 4.34Å; I101-V158 HydrophobicContact CG2-CG2 4.13Å; T104-V158 HydrophobicContact CG2-CG1 4.02Å; T104-V158 HydrophobicContact CG2-CG2 4.02Å; L105-V158 HydrophobicContact CD2-CG1 4.14Å; L105-V158 HydrophobicContact CD2-CG2 4.36Å; L105-V158 HydrophobicContact CG-CG2 4.3Å; E154-V158 HydrophobicContact CG-CG2 4.03Å; E154-V158 VanDerWaalsContact O-CB 3.25Å; E154-V158 WeakPolarHBondContact O-CB 3.45Å; E154-V158 WeakPolarHBondContact O-CG2 3.27Å; E154-V158 PolarHBondContact O-N 3.2Å; V158-R160 VanDerWaalsContact C-N 3.29Å; V158-R160 PolarHBondContact O-N 3.44Å; V158-V161 PolarHBondContact O-N 3.38Å; V158-I162 HydrophobicContact CG1-CD1 3.63Å; V158-I162 HydrophobicContact CG1-CG1 4.21Å; V158-I162 WeakPolarHBondContact O-CB 3.31Å; V158-I162 VanDerWaalsContact O-CG1 3.31Å; V158-I162 WeakPolarHBondContact O-CG1 3.48Å; V158-I162 PolarHBondContact O-N 3.37Å
159	A	96.3	Very high	93	Very high	61 Å²	61	67.2 Å²	67.2	50%	0.504	37%	0.369	S	S	.	.	H	α-helix	trans	-57.8	-42.7	178	0	0	0	0	0	112.3	K155 I157 E163	K155-A159 WeakPolarHBondContact O-CB 3.48Å; K155-A159 PolarHBondContact O-N 3.12Å; K155-A159 VanDerWaalsContact O-N 3.16Å; I157-A159 VanDerWaalsContact C-N 3.33Å; I157-A159 PolarHBondContact O-N 3.29Å; A159-E163 WeakPolarHBondContact O-CB 3.46Å; A159-E163 PolarHBondContact O-N 2.87Å
160	R	95.8	Very high	92.7	Very high	64 Å²	64	67.8 Å²	67.8	24%	0.242	36%	0.364	C	S	.	.	H	α-helix	trans	-71.6	-40	179.4	-176.6	55.7	177.2	170.9	3.6	112.3	I139 Y148 A156 I157 V158 E163 V164	I139-R160 HydrophobicContact CD1-CB 4.36Å; I139-R160 HydrophobicContact CD1-CG 3.68Å; Y148-R160 HydrophobicContact CD2-CB 4.03Å; Y148-R160 HydrophobicContact CD2-CG 3.79Å; Y148-R160 HydrophobicContact CE2-CB 3.72Å; Y148-R160 HydrophobicContact CE2-CG 3.96Å; A156-R160 PolarHBondContact O-N 3.41Å; I157-R160 PolarHBondContact O-N 3.34Å; I157-R160 VanDerWaalsContact O-N 3.14Å; V158-R160 VanDerWaalsContact C-N 3.29Å; V158-R160 PolarHBondContact O-N 3.44Å; R160-E163 WeakPolarHBondContact CD-OE2 3.3Å; R160-E163 IonicContact CZ-OE2 2.74Å; R160-E163 IonicContact NH1-OE1 3.6Å; R160-E163 PolarHBondContact NH1-OE1 3.5Å; R160-E163 IonicContact NH1-OE2 3.71Å; R160-E163 PolarHBondContact NH1-OE2 2.98Å; R160-E163 WeakPolarHBondContact O-CB 3.38Å; R160-E163 PolarHBondContact O-N 2.82Å; R160-V164 VanDerWaalsContact O-CG2 3.3Å; R160-V164 WeakPolarHBondContact O-CG2 3.45Å; R160-V164 PolarHBondContact O-N 3.28Å
161	V	96.9	Very high	92.1	Very high	0 Å²	0	69.6 Å²	69.6	0%	0	37%	0.368	C	S	.	.	H	α-helix	trans	-62.5	-45	175.1	173.2	0	0	0	0	110.8	T78 L80 L105 I112 I139 I157 V158 E163 V164 S165	T78-V161 HydrophobicContact CG2-CG1 4.36Å; L80-V161 HydrophobicContact CB-CG2 4.32Å; L80-V161 HydrophobicContact CD1-CG2 3.81Å; L80-V161 HydrophobicContact CD2-CG2 4.2Å; L80-V161 HydrophobicContact CG-CG2 4.33Å; L105-V161 HydrophobicContact CD1-CB 4.27Å; L105-V161 HydrophobicContact CD1-CG1 3.85Å; L105-V161 HydrophobicContact CD1-CG2 4.3Å; L105-V161 HydrophobicContact CD2-CB 4.24Å; L105-V161 HydrophobicContact CD2-CG1 3.83Å; I112-V161 HydrophobicContact CD1-CG1 3.77Å; I112-V161 HydrophobicContact CG2-CG1 3.85Å; I139-V161 HydrophobicContact CD1-CG2 3.8Å; I139-V161 HydrophobicContact CG1-CG2 3.96Å; I157-V161 HydrophobicContact CG2-CG2 4.13Å; I157-V161 WeakPolarHBondContact O-CG2 3.4Å; I157-V161 PolarHBondContact O-N 3.28Å; V158-V161 PolarHBondContact O-N 3.38Å; V161-E163 VanDerWaalsContact C-N 3.33Å; V161-E163 PolarHBondContact O-N 2.94Å; V161-V164 PolarHBondContact O-N 2.9Å; V161-S165 WeakPolarHBondContact O-CB 3.25Å; V161-S165 PolarHBondContact O-N 3.03Å
162	I	95.7	Very high	91.1	Very high	62 Å²	62	67.9 Å²	67.9	32%	0.318	37%	0.369	S	S	.	.	H	α-helix	trans	-62.2	-41.4	176.9	-70	175.7	0	0	0	111	V158 S165 Q166	V158-I162 HydrophobicContact CG1-CD1 3.63Å; V158-I162 HydrophobicContact CG1-CG1 4.21Å; V158-I162 WeakPolarHBondContact O-CB 3.31Å; V158-I162 VanDerWaalsContact O-CG1 3.31Å; V158-I162 WeakPolarHBondContact O-CG1 3.48Å; V158-I162 PolarHBondContact O-N 3.37Å; I162-S165 WeakPolarHBondContact CA-OG 3.36Å; I162-S165 PolarHBondContact O-N 3.3Å; I162-S165 PolarHBondContact O-OG 3.2Å; I162-Q166 WeakPolarHBondContact O-CG 3.29Å; I162-Q166 PolarHBondContact O-N 2.86Å; I162-Q166 PolarHBondContact O-NE2 3.25Å
163	E	93.7	Very high	90.2	Very high	91 Å²	91	67.9 Å²	67.9	43%	0.425	39%	0.385	S	S	.	.	H	α-helix	trans	-58.8	-51	175	-172.5	-158.8	153.4	0	0	111.6	A159 R160 V161 S165 Q166	A159-E163 WeakPolarHBondContact O-CB 3.46Å; A159-E163 PolarHBondContact O-N 2.87Å; R160-E163 WeakPolarHBondContact CD-OE2 3.3Å; R160-E163 IonicContact CZ-OE2 2.74Å; R160-E163 IonicContact NH1-OE1 3.6Å; R160-E163 PolarHBondContact NH1-OE1 3.5Å; R160-E163 IonicContact NH1-OE2 3.71Å; R160-E163 PolarHBondContact NH1-OE2 2.98Å; R160-E163 WeakPolarHBondContact O-CB 3.38Å; R160-E163 PolarHBondContact O-N 2.82Å; V161-E163 VanDerWaalsContact C-N 3.33Å; V161-E163 PolarHBondContact O-N 2.94Å; E163-S165 VanDerWaalsContact C-N 3.25Å; E163-S165 PolarHBondContact O-N 3.02Å; E163-Q166 WeakPolarHBondContact O-CG 3.25Å; E163-Q166 PolarHBondContact O-N 3.38Å
164	V	93.5	Very high	89.7	Confident	0 Å²	0	70.7 Å²	70.7	0%	0	40%	0.397	C	S	.	.	H	α-helix	trans	-64.9	-31.2	179.5	174.6	0	0	0	0	111.6	I139 K141 V146 R160 V161 Q166 W169	I139-V164 HydrophobicContact CD1-CG2 4.16Å; I139-V164 HydrophobicContact CG2-CB 4.04Å; I139-V164 HydrophobicContact CG2-CG1 3.69Å; I139-V164 HydrophobicContact CG2-CG2 4.46Å; K141-V164 HydrophobicContact CB-CG1 3.9Å; K141-V164 HydrophobicContact CD-CG1 4.42Å; K141-V164 WeakPolarHBondContact CE-O 3.38Å; K141-V164 HydrophobicContact CG-CG1 4.29Å; K141-V164 PolarHBondContact NZ-O 3.48Å; V146-V164 HydrophobicContact CG1-CG2 4.37Å; V146-V164 HydrophobicContact CG2-CG1 4.31Å; R160-V164 VanDerWaalsContact O-CG2 3.3Å; R160-V164 WeakPolarHBondContact O-CG2 3.45Å; R160-V164 PolarHBondContact O-N 3.28Å; V161-V164 PolarHBondContact O-N 2.9Å; V164-Q166 VanDerWaalsContact C-N 3.27Å; V164-Q166 PolarHBondContact O-N 3.46Å; V164-W169 HydrophobicContact CB-CD2 4.35Å; V164-W169 HydrophobicContact CG1-CD2 4.22Å; V164-W169 HydrophobicContact CG1-CE3 3.98Å; V164-W169 HydrophobicContact CG1-CH2 4.29Å; V164-W169 HydrophobicContact CG1-CZ3 4Å; V164-W169 HydrophobicContact CG2-CD2 4.42Å; V164-W169 HydrophobicContact CG2-CH2 4.2Å; V164-W169 HydrophobicContact CG2-CZ2 3.77Å; V164-W169 WeakPolarHBondContact O-CB 3.49Å
165	S	94.2	Very high	89.5	Confident	16 Å²	16	69.4 Å²	69.4	11%	0.112	40%	0.396	C	S	.	.	H	α-helix	trans	-71	-18.5	180	76.7	0	0	0	0	114.2	T78 K141 V161 I162 E163	T78-S165 WeakPolarHBondContact OG1-CA 3.42Å; K141-S165 PolarHBondContact NZ-O 2.88Å; V161-S165 WeakPolarHBondContact O-CB 3.25Å; V161-S165 PolarHBondContact O-N 3.03Å; I162-S165 WeakPolarHBondContact CA-OG 3.36Å; I162-S165 PolarHBondContact O-N 3.3Å; I162-S165 PolarHBondContact O-OG 3.2Å; E163-S165 VanDerWaalsContact C-N 3.25Å; E163-S165 PolarHBondContact O-N 3.02Å
166	Q	93.4	Very high	89.5	Confident	95 Å²	95	61.6 Å²	61.6	44%	0.444	36%	0.363	S	S	.	.	S	Bend	trans	-56.7	138.9	-173.7	-65.6	-55.2	-54.9	0	0	112.2	I162 E163 V164 G168 W169	I162-Q166 WeakPolarHBondContact O-CG 3.29Å; I162-Q166 PolarHBondContact O-N 2.86Å; I162-Q166 PolarHBondContact O-NE2 3.25Å; E163-Q166 WeakPolarHBondContact O-CG 3.25Å; E163-Q166 PolarHBondContact O-N 3.38Å; V164-Q166 VanDerWaalsContact C-N 3.27Å; V164-Q166 PolarHBondContact O-N 3.46Å; Q166-G168 PolarHBondContact O-N 3.32Å; Q166-W169 HydrophobicContact CB-CB 4.48Å; Q166-W169 WeakPolarHBondContact O-CB 3.44Å; Q166-W169 PolarHBondContact O-N 2.75Å
167	P	88.7	Confident	89.5	Confident	125 Å²	125	63.8 Å²	63.8	81%	0.812	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.1	122.5	174	-25.4	34.2	0	0	0	111.1
168	G	82.8	Confident	89.5	Confident	73 Å²	73	67.6 Å²	67.6	75%	0.753	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.2	6.3	-178.7	0	0	0	0	0	115.3	Q166 K170	Q166-G168 PolarHBondContact O-N 3.32Å; G168-K170 PolarHBondContact O-N 3.4Å
169	W	88	Confident	89.5	Confident	43 Å²	43	67 Å²	67	16%	0.163	39%	0.39	C	S	.	.			trans	-56.4	132	166	-174.2	94.6	0	0	0	109.5	K141 V146 V164 Q166 P171	K141-W169 HydrophobicContact CB-CZ3 4.42Å; K141-W169 HydrophobicContact CG-CE3 4.1Å; K141-W169 HydrophobicContact CG-CZ3 4.39Å; V146-W169 HydrophobicContact CB-CH2 4.39Å; V146-W169 HydrophobicContact CG1-CH2 3.97Å; V146-W169 HydrophobicContact CG1-CZ2 4.43Å; V146-W169 HydrophobicContact CG2-CH2 3.48Å; V146-W169 VanDerWaalsContact CG2-CH2 3.48Å; V146-W169 HydrophobicContact CG2-CZ3 3.74Å; V164-W169 HydrophobicContact CB-CD2 4.35Å; V164-W169 HydrophobicContact CG1-CD2 4.22Å; V164-W169 HydrophobicContact CG1-CE3 3.98Å; V164-W169 HydrophobicContact CG1-CH2 4.29Å; V164-W169 HydrophobicContact CG1-CZ3 4Å; V164-W169 HydrophobicContact CG2-CD2 4.42Å; V164-W169 HydrophobicContact CG2-CH2 4.2Å; V164-W169 HydrophobicContact CG2-CZ2 3.77Å; V164-W169 WeakPolarHBondContact O-CB 3.49Å; Q166-W169 HydrophobicContact CB-CB 4.48Å; Q166-W169 WeakPolarHBondContact O-CB 3.44Å; Q166-W169 PolarHBondContact O-N 2.75Å; W169-P171 HydrophobicContact CH2-CB 4.16Å
170	K	78.4	Confident	89.5	Confident	168 Å²	168	66.3 Å²	66.3	73%	0.73	38%	0.379	S	S	*	.			trans	-130.4	148.4	171.6	-68.3	-173.6	178.1	-173.1	0	107.4	G168	G168-K170 PolarHBondContact O-N 3.4Å
171	P	74.9	Confident	89.5	Confident	77 Å²	77	68.3 Å²	68.3	50%	0.5	39%	0.39	S	S	.	.	P	Polyproline II helix	trans	-54	144.2	168.4	23.6	-31.9	0	0	0	109	W169	W169-P171 HydrophobicContact CH2-CB 4.16Å
172	P	70.6	Confident	89.5	Confident	101 Å²	101	75.6 Å²	75.6	66%	0.656	43%	0.429	S	S	*	.	P	Polyproline II helix	trans	-51	136.6	174.2	-25.2	33.8	0	0	0	109.8	E174	P172-E174 PolarHBondContact O-N 3.25Å
173	P	74.3	Confident	89.6	Confident	123 Å²	123	75.3 Å²	75.3	80%	0.799	43%	0.428	S	S	*	.	P	Polyproline II helix	trans	-59.3	131	175.6	24.8	-32.5	0	0	0	108.9	A175	P173-A175 PolarHBondContact O-N 3.44Å
174	E	85	Confident	89.8	Confident	106 Å²	106	71 Å²	71	50%	0.495	41%	0.408	S	S	.	.	P	Polyproline II helix	trans	-67.7	131.4	174	-60	-173.7	147.7	0	0	109.1	P172 E214 K231	P172-E174 PolarHBondContact O-N 3.25Å; E174-E214 WeakPolarHBondContact CA-OE1 3.48Å; E174-K231 IonicContact OE1-NZ 2.67Å; E174-K231 PolarHBondContact OE1-NZ 2.84Å; E174-K231 WeakPolarHBondContact OE2-CE 3.44Å; E174-K231 IonicContact OE2-NZ 3.15Å; E174-K231 PolarHBondContact OE2-NZ 3.45Å
175	A	91.6	Very high	90	Very high	33 Å²	33	74.3 Å²	74.3	27%	0.273	43%	0.425	S	S	.	.	S	Bend	trans	-75.4	-19.3	170.7	0	0	0	0	0	111.3	P173 E214 A217 K218	P173-A175 PolarHBondContact O-N 3.44Å; A175-E214 VanDerWaalsContact CB-OE1 3.32Å; A175-E214 WeakPolarHBondContact CB-OE1 3.34Å; A175-E214 PolarHBondContact N-OE1 3.29Å; A175-A217 HydrophobicContact CB-CB 3.86Å; A175-K218 HydrophobicContact CB-CB 3.96Å
176	T	95.1	Very high	90.1	Very high	10 Å²	10	80.2 Å²	80.2	6%	0.061	45%	0.451	C	S	.	.	S	Bend	trans	-78.3	137.9	172.6	48.9	0	0	0	0	111.6	Y213 E214 A217 L229	T176-Y213 HydrophobicContact CG2-CD1 3.52Å; T176-Y213 HydrophobicContact CG2-CE1 3.59Å; T176-E214 WeakPolarHBondContact CG2-OE2 3.46Å; T176-E214 PolarHBondContact N-OE2 3.43Å; T176-E214 PolarHBondContact OG1-OE2 3.3Å; T176-A217 HydrophobicContact CG2-CB 3.61Å; T176-L229 WeakPolarHBondContact CA-O 3.43Å; T176-L229 HydrophobicContact CG2-CB 4.23Å
177	L	96.2	Very high	90.3	Very high	76 Å²	76	77.6 Å²	77.6	40%	0.398	44%	0.442	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79	135.5	173	-57.2	176.2	0	0	0	109.8	L179 T187 I194 P228 L229 A230 K231	L177-L179 HydrophobicContact CB-CD2 4.34Å; L177-T187 HydrophobicContact CD1-CG2 4.06Å; L177-I194 HydrophobicContact CD1-CD1 4.23Å; L177-P228 HydrophobicContact CD1-CB 3.98Å; L177-L229 PolarHBondContact N-O 3.07Å; L177-A230 HydrophobicContact CB-CB 4Å; L177-A230 CarbonylContact O-C 3.41Å; L177-A230 WeakPolarHBondContact O-CA 3.29Å; L177-A230 WeakPolarHBondContact O-CB 3.41Å; L177-K231 PolarHBondContact O-N 3.38Å
178	V	96.2	Very high	90.7	Very high	80 Å²	80	71.7 Å²	71.7	49%	0.485	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	117	171.4	-176.7	0	0	0	0	108.7	N183 K231	V178-N183 PolarHBondContact O-ND2 3Å; V178-K231 HydrophobicContact CG2-CG 4.41Å
179	L	97.6	Very high	91.3	Very high	4 Å²	4	72.4 Å²	72.4	2%	0.021	39%	0.39	C	S	.	.			trans	-105.5	136.7	179	-55.2	-178.5	0	0	0	111.1	L177 N183 F184 T187 V188 V196 A230 K231 V232	L177-L179 HydrophobicContact CB-CD2 4.34Å; L179-N183 VanDerWaalsContact CA-OD1 3.24Å; L179-N183 WeakPolarHBondContact CA-OD1 3.14Å; L179-F184 HydrophobicContact CB-CD2 3.87Å; L179-F184 HydrophobicContact CD1-CD2 3.88Å; L179-F184 HydrophobicContact CD1-CE2 4.09Å; L179-T187 HydrophobicContact CD2-CG2 3.8Å; L179-V188 HydrophobicContact CD1-CG1 4.26Å; L179-V196 HydrophobicContact CD1-CG1 4.48Å; L179-V196 HydrophobicContact CD1-CG2 4.16Å; L179-A230 HydrophobicContact CD1-CB 3.57Å; L179-A230 HydrophobicContact CG-CB 3.81Å; L179-K231 PolarHBondContact N-O 3.22Å; L179-V232 HydrophobicContact CB-CG2 3.78Å
180	T	97.3	Very high	91.7	Very high	45 Å²	45	76.4 Å²	76.4	28%	0.276	41%	0.414	S	S	.	.			trans	-125.6	170.2	174.6	65.1	0	0	0	0	108.6	D182 N183 F184 E237	T180-D182 PolarHBondContact O-N 2.77Å; T180-D182 PolarHBondContact OG1-N 2.82Å; T180-N183 PolarHBondContact N-OD1 2.94Å; T180-N183 PolarHBondContact O-N 2.74Å; T180-N183 PolarHBondContact O-OD1 3.23Å; T180-N183 VanDerWaalsContact O-OD1 3.11Å; T180-F184 VanDerWaalsContact O-CB 3.24Å; T180-F184 WeakPolarHBondContact O-CB 3.28Å; T180-F184 PolarHBondContact O-N 3.26Å; T180-E237 VanDerWaalsContact CB-OE1 3.24Å; T180-E237 WeakPolarHBondContact CB-OE1 3.42Å
181	K	96	Very high	92.5	Very high	107 Å²	107	69 Å²	69	47%	0.465	39%	0.385	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.2	-32.8	174.9	-177.3	176.8	173.6	180	0	113.8	E237 E239 L240	K181-E237 WeakPolarHBondContact CB-OE2 3.41Å; K181-E237 PolarHBondContact N-OE2 2.86Å; K181-E239 WeakPolarHBondContact CE-OE2 3.44Å; K181-E239 IonicContact NZ-OE1 3.7Å; K181-E239 IonicContact NZ-OE2 2.64Å; K181-E239 PolarHBondContact NZ-OE2 2.83Å; K181-L240 HydrophobicContact CB-CD1 4.44Å; K181-L240 HydrophobicContact CB-CG 4.43Å
182	D	96.4	Very high	93.3	Very high	153 Å²	153	70.6 Å²	70.6	82%	0.818	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.7	-30.8	-174.5	-65.1	-25.1	0	0	0	113.8	T180	T180-D182 PolarHBondContact O-N 2.77Å; T180-D182 PolarHBondContact OG1-N 2.82Å
183	N	97.2	Very high	94.5	Very high	56 Å²	56	66.3 Å²	66.3	30%	0.299	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	-115.3	-8.2	-175.3	73.4	3.6	0	0	0	114	V178 L179 T180 T187	V178-N183 PolarHBondContact O-ND2 3Å; L179-N183 VanDerWaalsContact CA-OD1 3.24Å; L179-N183 WeakPolarHBondContact CA-OD1 3.14Å; T180-N183 PolarHBondContact N-OD1 2.94Å; T180-N183 PolarHBondContact O-N 2.74Å; T180-N183 PolarHBondContact O-OD1 3.23Å; T180-N183 VanDerWaalsContact O-OD1 3.11Å; N183-T187 WeakPolarHBondContact O-CB 3.37Å; N183-T187 PolarHBondContact O-N 2.91Å; N183-T187 VanDerWaalsContact O-N 3.09Å; N183-T187 PolarHBondContact O-OG1 2.67Å
184	F	98.2	Very high	95.6	Very high	0 Å²	0	60.5 Å²	60.5	0%	0	32%	0.323	C	S	.	.	H	α-helix	trans	-58.9	-58.1	-171.2	-171.5	-78.9	0	0	0	111.5	L179 T180 E186 T187 V188 V196 F198 V232 L240 F244 F255	L179-F184 HydrophobicContact CB-CD2 3.87Å; L179-F184 HydrophobicContact CD1-CD2 3.88Å; L179-F184 HydrophobicContact CD1-CE2 4.09Å; T180-F184 VanDerWaalsContact O-CB 3.24Å; T180-F184 WeakPolarHBondContact O-CB 3.28Å; T180-F184 PolarHBondContact O-N 3.26Å; F184-E186 PolarHBondContact O-N 2.9Å; F184-T187 PolarHBondContact O-N 3.33Å; F184-T187 VanDerWaalsContact O-N 3.12Å; F184-V188 HydrophobicContact CD1-CG1 3.99Å; F184-V188 HydrophobicContact CD1-CG2 3.82Å; F184-V188 HydrophobicContact CE1-CB 4.28Å; F184-V188 HydrophobicContact CE1-CG1 3.64Å; F184-V188 HydrophobicContact CE1-CG2 3.68Å; F184-V188 HydrophobicContact CE2-CG1 4.43Å; F184-V188 HydrophobicContact CZ-CG1 3.88Å; F184-V188 WeakPolarHBondContact O-CG2 3.25Å; F184-V188 PolarHBondContact O-N 2.81Å; F184-V196 HydrophobicContact CE2-CG1 4.12Å; F184-F198 HydrophobicContact CE2-CE1 4.34Å; F184-F198 AromaticContact CE2-CZ 3.92Å; F184-F198 HydrophobicContact CE2-CZ 3.92Å; F184-F198 HydrophobicContact CZ-CZ 4.04Å; F184-V232 HydrophobicContact CD2-CG2 3.98Å; F184-V232 HydrophobicContact CE2-CG2 3.86Å; F184-L240 HydrophobicContact CB-CD1 4.05Å; F184-L240 HydrophobicContact CB-CD2 4.25Å; F184-L240 HydrophobicContact CD1-CD2 4.42Å; F184-L240 HydrophobicContact CD2-CD1 3.79Å; F184-L240 HydrophobicContact CD2-CD2 4.39Å; F184-L240 HydrophobicContact CG-CD1 4.09Å; F184-L240 HydrophobicContact CG-CD2 4.1Å; F184-F244 HydrophobicContact CD1-CE2 4.23Å; F184-F244 HydrophobicContact CD1-CZ 4.42Å; F184-F244 AromaticContact CE1-CE2 3.39Å; F184-F244 HydrophobicContact CE1-CE2 3.39Å; F184-F244 AromaticContact CE1-CZ 3.52Å; F184-F244 HydrophobicContact CE1-CZ 3.52Å; F184-F244 HydrophobicContact CE2-CE2 4.29Å; F184-F244 HydrophobicContact CZ-CD2 4.21Å; F184-F244 AromaticContact CZ-CE2 3.43Å; F184-F244 HydrophobicContact CZ-CE2 3.43Å; F184-F244 VanDerWaalsContact CZ-CE2 3.43Å; F184-F244 AromaticContact CZ-CZ 3.93Å; F184-F244 HydrophobicContact CZ-CZ 3.93Å; F184-F255 HydrophobicContact CE1-CD1 4.49Å; F184-F255 AromaticContact CE1-CE1 3.9Å; F184-F255 HydrophobicContact CE1-CE1 3.9Å; F184-F255 HydrophobicContact CE1-CZ 4.07Å; F184-F255 AromaticContact CZ-CE1 3.87Å; F184-F255 HydrophobicContact CZ-CE1 3.87Å; F184-F255 HydrophobicContact CZ-CE2 4Å; F184-F255 AromaticContact CZ-CZ 3.55Å; F184-F255 HydrophobicContact CZ-CZ 3.55Å
185	D	97.4	Very high	96.3	Very high	70 Å²	70	55.4 Å²	55.4	37%	0.374	30%	0.299	S	S	.	.	H	α-helix	trans	-62	-48.3	-171.2	-68.9	-17.2	0	0	0	111.1	T187 V188 D189 R243	D185-T187 VanDerWaalsContact C-N 3.28Å; D185-T187 PolarHBondContact O-N 3.44Å; D185-V188 PolarHBondContact O-N 3.33Å; D185-D189 WeakPolarHBondContact O-CB 3.38Å; D185-D189 PolarHBondContact O-N 3.09Å; D185-R243 IonicContact OD1-CZ 3.22Å; D185-R243 VanDerWaalsContact OD1-CZ 3.22Å; D185-R243 IonicContact OD1-NH1 2.91Å; D185-R243 PolarHBondContact OD1-NH1 3.35Å; D185-R243 IonicContact OD1-NH2 2.68Å; D185-R243 PolarHBondContact OD1-NH2 2.65Å; D185-R243 IonicContact OD2-NH1 3.03Å; D185-R243 PolarHBondContact OD2-NH1 3.34Å
186	E	97.6	Very high	96.6	Very high	139 Å²	139	53.9 Å²	53.9	65%	0.65	29%	0.286	S	S	*	.	H	α-helix	trans	-57.5	-40.8	175.4	-175.4	178.7	-178.6	0	0	112.2	F184 N190	F184-E186 PolarHBondContact O-N 2.9Å; E186-N190 WeakPolarHBondContact O-CB 3.24Å; E186-N190 PolarHBondContact O-N 3Å; E186-N190 PolarHBondContact O-ND2 3.01Å
187	T	97.3	Very high	96.8	Very high	40 Å²	40	53.7 Å²	53.7	25%	0.245	29%	0.285	C	S	.	.	H	α-helix	trans	-70.5	-46.4	-178.5	-54.7	0	0	0	0	111.8	L177 L179 N183 F184 D185 A191 I194	L177-T187 HydrophobicContact CD1-CG2 4.06Å; L179-T187 HydrophobicContact CD2-CG2 3.8Å; N183-T187 WeakPolarHBondContact O-CB 3.37Å; N183-T187 PolarHBondContact O-N 2.91Å; N183-T187 VanDerWaalsContact O-N 3.09Å; N183-T187 PolarHBondContact O-OG1 2.67Å; F184-T187 PolarHBondContact O-N 3.33Å; F184-T187 VanDerWaalsContact O-N 3.12Å; D185-T187 VanDerWaalsContact C-N 3.28Å; D185-T187 PolarHBondContact O-N 3.44Å; T187-A191 WeakPolarHBondContact O-CB 3.49Å; T187-A191 PolarHBondContact O-N 2.78Å; T187-I194 HydrophobicContact CG2-CD1 4.07Å
188	V	97.2	Very high	96.9	Very high	2 Å²	2	50 Å²	50	1%	0.012	27%	0.266	C	S	.	.	H	α-helix	trans	-75.7	-29.6	-177	-59	0	0	0	0	113.1	L179 F184 D185 I194 V196 F255 G258	L179-V188 HydrophobicContact CD1-CG1 4.26Å; F184-V188 HydrophobicContact CD1-CG1 3.99Å; F184-V188 HydrophobicContact CD1-CG2 3.82Å; F184-V188 HydrophobicContact CE1-CB 4.28Å; F184-V188 HydrophobicContact CE1-CG1 3.64Å; F184-V188 HydrophobicContact CE1-CG2 3.68Å; F184-V188 HydrophobicContact CE2-CG1 4.43Å; F184-V188 HydrophobicContact CZ-CG1 3.88Å; F184-V188 WeakPolarHBondContact O-CG2 3.25Å; F184-V188 PolarHBondContact O-N 2.81Å; D185-V188 PolarHBondContact O-N 3.33Å; V188-I194 HydrophobicContact CB-CG2 4.33Å; V188-I194 HydrophobicContact CG1-CG2 4.11Å; V188-V196 HydrophobicContact CG1-CG2 4.36Å; V188-F255 HydrophobicContact CB-CB 4.02Å; V188-F255 HydrophobicContact CB-CD1 4.1Å; V188-F255 HydrophobicContact CB-CG 4.11Å; V188-F255 HydrophobicContact CG1-CB 4.29Å; V188-F255 HydrophobicContact CG1-CD1 4.24Å; V188-F255 HydrophobicContact CG1-CD2 4.39Å; V188-F255 HydrophobicContact CG1-CG 4.05Å; V188-F255 HydrophobicContact CG2-CD1 4.23Å; V188-G258 PolarHBondContact O-N 3.48Å
189	D	95.8	Very high	96.9	Very high	88 Å²	88	48.5 Å²	48.5	47%	0.471	25%	0.251	S	S	.	.	H	α-helix	trans	-72.4	-36.2	178.7	-72.9	-8.7	0	0	0	111.7	D185 K257 G258	D185-D189 WeakPolarHBondContact O-CB 3.38Å; D185-D189 PolarHBondContact O-N 3.09Å; D189-K257 WeakPolarHBondContact O-CA 3.37Å; D189-G258 WeakPolarHBondContact OD1-CA 3.39Å
190	N	95.4	Very high	96.6	Very high	126 Å²	126	48.3 Å²	48.3	67%	0.674	25%	0.25	S	S	*	.	H	α-helix	trans	-83.3	-14	179.1	-71.6	-46.6	0	0	0	113.7	E186	E186-N190 WeakPolarHBondContact O-CB 3.24Å; E186-N190 PolarHBondContact O-N 3Å; E186-N190 PolarHBondContact O-ND2 3.01Å
191	A	94.3	Very high	95.8	Very high	14 Å²	14	48.1 Å²	48.1	12%	0.116	25%	0.25	C	S	.	.			trans	-82.6	126	176.6	0	0	0	0	0	111.7	T187 I193 I194 K257	T187-A191 WeakPolarHBondContact O-CB 3.49Å; T187-A191 PolarHBondContact O-N 2.78Å; A191-I193 PolarHBondContact O-N 2.92Å; A191-I194 HydrophobicContact CB-CB 3.84Å; A191-I194 HydrophobicContact CB-CG2 3.73Å; A191-K257 PolarHBondContact O-N 3.24Å
192	D	92.8	Very high	94.8	Very high	109 Å²	109	50.5 Å²	50.5	58%	0.583	26%	0.256	S	S	*	.	S	Bend	trans	-58.8	-39.7	170.1	-80.4	-35.7	0	0	0	111.2	R256 K257	D192-R256 WeakPolarHBondContact O-CA 3.23Å; D192-K257 WeakPolarHBondContact OD1-CE 3.36Å; D192-K257 IonicContact OD1-NZ 2.76Å
193	I	95.9	Very high	94.3	Very high	12 Å²	12	43.9 Å²	43.9	6%	0.062	22%	0.222	C	C	.	.	S	Bend	trans	-154.5	133.6	169.7	-174.1	170.7	0	0	0	109.8	A191 I227 P228 I254 F255 R256 M276 Q279 A280	A191-I193 PolarHBondContact O-N 2.92Å; I193-I227 HydrophobicContact CG2-CG1 4.15Å; I193-I227 HydrophobicContact CG2-CG2 4.18Å; I193-P228 WeakPolarHBondContact O-CD 3.46Å; I193-I254 HydrophobicContact CD1-CG2 3.9Å; I193-I254 HydrophobicContact CG1-CG2 3.74Å; I193-F255 CarbonylContact C-O 3.51Å; I193-F255 VanDerWaalsContact CA-O 3.27Å; I193-F255 WeakPolarHBondContact CA-O 3.25Å; I193-R256 HydrophobicContact CB-CG 4.43Å; I193-R256 HydrophobicContact CG1-CG 4.3Å; I193-M276 HydrophobicContact CD1-CE 3.66Å; I193-M276 HydrophobicContact CG1-CE 3.69Å; I193-Q279 HydrophobicContact CD1-CB 3.69Å; I193-A280 HydrophobicContact CG2-CB 3.9Å
194	I	98.3	Very high	93.3	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	140.2	174	-179.8	168.8	0	0	0	109.2	L177 T187 V188 A191 V196 P228 A230 I254 F255	L177-I194 HydrophobicContact CD1-CD1 4.23Å; T187-I194 HydrophobicContact CG2-CD1 4.07Å; V188-I194 HydrophobicContact CB-CG2 4.33Å; V188-I194 HydrophobicContact CG1-CG2 4.11Å; A191-I194 HydrophobicContact CB-CB 3.84Å; A191-I194 HydrophobicContact CB-CG2 3.73Å; I194-V196 HydrophobicContact CG1-CG2 4.34Å; I194-P228 WeakPolarHBondContact CA-O 3.47Å; I194-P228 HydrophobicContact CD1-CB 4Å; I194-P228 HydrophobicContact CG1-CB 4.01Å; I194-P228 WeakPolarHBondContact CG1-O 3.23Å; I194-A230 HydrophobicContact CD1-CB 3.86Å; I194-A230 HydrophobicContact CG1-CB 4.27Å; I194-I254 CarbonylContact O-C 3.54Å; I194-I254 WeakPolarHBondContact O-CA 3.36Å; I194-F255 HydrophobicContact CG2-CB 3.66Å; I194-F255 PolarHBondContact N-O 3.48Å; I194-F255 PolarHBondContact O-N 3.48Å
195	L	98.6	Very high	92.8	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	131.7	171	177.6	60.2	0	0	0	108.3	Y213 P228 L229 A230 L252 I254 Y263 I272 M276	L195-Y213 HydrophobicContact CD2-CE2 3.7Å; L195-Y213 HydrophobicContact CG-CE2 3.93Å; L195-Y213 PolarHBondContact O-OH 2.97Å; L195-P228 PolarHBondContact N-O 2.61Å; L195-P228 VanDerWaalsContact N-O 3.16Å; L195-L229 HydrophobicContact CB-CD1 3.94Å; L195-L229 HydrophobicContact CB-CG 3.98Å; L195-L229 HydrophobicContact CD2-CD1 4.38Å; L195-L229 HydrophobicContact CD2-CD2 4.35Å; L195-L229 HydrophobicContact CD2-CG 4.16Å; L195-L229 HydrophobicContact CG-CG 4.37Å; L195-L229 CarbonylContact O-C 3.49Å; L195-L229 WeakPolarHBondContact O-CA 3.48Å; L195-A230 PolarHBondContact O-N 3.4Å; L195-L252 HydrophobicContact CD1-CB 4.19Å; L195-I254 HydrophobicContact CD1-CG1 3.96Å; L195-Y263 HydrophobicContact CD1-CD2 3.57Å; L195-Y263 HydrophobicContact CD1-CE2 4.28Å; L195-Y263 HydrophobicContact CD1-CG 3.97Å; L195-Y263 HydrophobicContact CD2-CD2 4.13Å; L195-Y263 HydrophobicContact CD2-CE2 3.99Å; L195-I272 HydrophobicContact CD2-CG2 3.81Å; L195-M276 HydrophobicContact CB-CE 3.7Å; L195-M276 HydrophobicContact CB-CG 4.43Å; L195-M276 HydrophobicContact CB-SD 3.88Å; L195-M276 HydrophobicContact CD1-SD 4.36Å; L195-M276 HydrophobicContact CD2-CG 3.96Å; L195-M276 HydrophobicContact CD2-SD 4Å; L195-M276 HydrophobicContact CG-SD 4.31Å
196	V	98.7	Very high	92.5	Very high	0 Å²	0	45 Å²	45	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	127	179	-175.2	0	0	0	0	109.8	L179 F184 V188 I194 F198 A230 V232 L252 K253 F255	L179-V196 HydrophobicContact CD1-CG1 4.48Å; L179-V196 HydrophobicContact CD1-CG2 4.16Å; F184-V196 HydrophobicContact CE2-CG1 4.12Å; V188-V196 HydrophobicContact CG1-CG2 4.36Å; I194-V196 HydrophobicContact CG1-CG2 4.34Å; V196-F198 HydrophobicContact CB-CE2 4.3Å; V196-F198 HydrophobicContact CG1-CD2 4.31Å; V196-F198 HydrophobicContact CG1-CE2 3.88Å; V196-F198 HydrophobicContact CG1-CZ 4.12Å; V196-A230 CarbonylContact C-O 3.51Å; V196-A230 VanDerWaalsContact CA-O 3.32Å; V196-A230 WeakPolarHBondContact CA-O 3.24Å; V196-A230 HydrophobicContact CG1-CB 4.46Å; V196-A230 HydrophobicContact CG2-CB 4.12Å; V196-V232 HydrophobicContact CG1-CG2 3.79Å; V196-L252 WeakPolarHBondContact O-CA 3.48Å; V196-K253 PolarHBondContact N-O 3.16Å; V196-K253 PolarHBondContact O-N 3.49Å; V196-F255 HydrophobicContact CB-CD2 4.12Å; V196-F255 HydrophobicContact CB-CE2 3.82Å; V196-F255 HydrophobicContact CG2-CD2 3.5Å; V196-F255 VanDerWaalsContact CG2-CD2 3.5Å; V196-F255 HydrophobicContact CG2-CE2 3.62Å
197	E	98.5	Very high	91.8	Very high	6 Å²	6	42.1 Å²	42.1	3%	0.028	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	119.2	169	-175.5	-172.8	-172	0	0	111.2	L209 Y213 A230 K231 V232 P250 L252	E197-L209 HydrophobicContact CG-CD2 4.44Å; E197-Y213 HydrophobicContact CB-CE1 4.01Å; E197-Y213 HydrophobicContact CB-CE2 4.34Å; E197-Y213 PolarHBondContact N-OH 3.16Å; E197-A230 PolarHBondContact N-O 3.41Å; E197-K231 HydrophobicContact CB-CB 4.45Å; E197-K231 CarbonylContact O-C 3.6Å; E197-K231 VanDerWaalsContact O-CA 3.27Å; E197-K231 WeakPolarHBondContact O-CA 3.44Å; E197-V232 PolarHBondContact O-N 3.02Å; E197-P250 HydrophobicContact CG-CB 4.12Å; E197-P250 WeakPolarHBondContact OE1-CB 3.46Å; E197-L252 HydrophobicContact CB-CD2 3.55Å; E197-L252 HydrophobicContact CG-CD2 3.75Å
198	F	98.4	Very high	91.2	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	114.4	164.4	-63.4	-93.4	0	0	0	108.6	F184 V196 V232 A234 L240 F244 V246 P250 T251 K253 F255	F184-F198 HydrophobicContact CE2-CE1 4.34Å; F184-F198 AromaticContact CE2-CZ 3.92Å; F184-F198 HydrophobicContact CE2-CZ 3.92Å; F184-F198 HydrophobicContact CZ-CZ 4.04Å; V196-F198 HydrophobicContact CB-CE2 4.3Å; V196-F198 HydrophobicContact CG1-CD2 4.31Å; V196-F198 HydrophobicContact CG1-CE2 3.88Å; V196-F198 HydrophobicContact CG1-CZ 4.12Å; F198-V232 WeakPolarHBondContact CA-O 3.31Å; F198-V232 HydrophobicContact CD1-CB 3.77Å; F198-V232 HydrophobicContact CD1-CG1 3.85Å; F198-V232 HydrophobicContact CD1-CG2 4.32Å; F198-V232 HydrophobicContact CE1-CB 3.98Å; F198-V232 HydrophobicContact CE1-CG1 3.98Å; F198-V232 HydrophobicContact CE1-CG2 4.05Å; F198-V232 HydrophobicContact CG-CB 4.48Å; F198-A234 HydrophobicContact CB-CB 4.37Å; F198-L240 HydrophobicContact CE1-CB 4.44Å; F198-F244 HydrophobicContact CE1-CD2 4.15Å; F198-F244 HydrophobicContact CZ-CB 4.4Å; F198-F244 AromaticContact CZ-CD2 3.63Å; F198-F244 HydrophobicContact CZ-CD2 3.63Å; F198-F244 HydrophobicContact CZ-CE2 4.29Å; F198-F244 HydrophobicContact CZ-CG 4.3Å; F198-V246 HydrophobicContact CB-CG1 4.01Å; F198-V246 HydrophobicContact CB-CG2 3.87Å; F198-V246 HydrophobicContact CD1-CG2 3.97Å; F198-V246 HydrophobicContact CD2-CG2 3.97Å; F198-V246 HydrophobicContact CG-CG2 3.66Å; F198-P250 WeakPolarHBondContact O-CA 3.45Å; F198-T251 PolarHBondContact N-O 3.43Å; F198-T251 PolarHBondContact O-N 3.47Å; F198-K253 HydrophobicContact CE2-CB 4.43Å; F198-K253 HydrophobicContact CE2-CD 4.36Å; F198-K253 HydrophobicContact CE2-CG 4.48Å; F198-F255 HydrophobicContact CE2-CE2 4.39Å; F198-F255 HydrophobicContact CE2-CZ 4.47Å; F198-F255 HydrophobicContact CZ-CZ 4.48Å
199	Y	96.8	Very high	91	Very high	47 Å²	47	47.9 Å²	47.9	18%	0.184	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	170.4	-172.6	79.4	-80.5	0	0	0	112.6	P201 K231 V232 D233 A234	Y199-P201 HydrophobicContact CE2-CG 4.16Å; Y199-K231 HydrophobicContact CD1-CB 4Å; Y199-K231 HydrophobicContact CE1-CB 3.84Å; Y199-K231 HydrophobicContact CE1-CD 3.96Å; Y199-K231 HydrophobicContact CE1-CG 4.03Å; Y199-V232 WeakPolarHBondContact CD1-O 3.3Å; Y199-V232 PolarHBondContact N-O 3.35Å; Y199-D233 HydrophobicContact CE1-CB 4.1Å; Y199-A234 PolarHBondContact O-N 3.4Å
200	A	90.7	Very high	90.8	Very high	0 Å²	0	46 Å²	46	0%	0	23%	0.232	C	C	.	.			trans	-128.1	135.6	166.2	0	0	0	0	0	109.1	W202 C203 T235 Y249	A200-W202 VanDerWaalsContact C-N 3.27Å; A200-W202 HydrophobicContact CB-CD2 4.19Å; A200-W202 HydrophobicContact CB-CH2 4.47Å; A200-W202 HydrophobicContact CB-CZ2 3.9Å; A200-W202 PolarHBondContact O-N 2.86Å; A200-C203 HydrophobicContact CB-CB 4.14Å; A200-C203 WeakPolarHBondContact O-CB 3.5Å; A200-C203 PolarHBondContact O-N 2.98Å; A200-T235 HydrophobicContact CB-CG2 3.44Å; A200-T235 VanDerWaalsContact CB-CG2 3.44Å; A200-Y249 HydrophobicContact CB-CD2 3.54Å; A200-Y249 HydrophobicContact CB-CE2 3.82Å; A200-Y249 HydrophobicContact CB-CG 3.98Å
201	P	79.7	Confident	90.5	Very high	42 Å²	42	43 Å²	43	27%	0.273	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57	-38.4	-175.5	-27.3	34.3	0	0	0	113.8	Y199 C203 K207 D233	Y199-P201 HydrophobicContact CE2-CG 4.16Å; P201-C203 VanDerWaalsContact C-N 3.31Å; P201-C203 PolarHBondContact O-N 3.45Å; P201-K207 WeakPolarHBondContact O-CE 3.48Å; P201-D233 WeakPolarHBondContact CD-OD2 3.27Å; P201-D233 WeakPolarHBondContact CG-OD2 3.38Å
202	W	76.4	Confident	90.5	Very high	157 Å²	157	44.8 Å²	44.8	60%	0.595	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.4	-9.4	-179.9	50.2	-99.5	0	0	0	113.9	A200 G204 Y249	A200-W202 VanDerWaalsContact C-N 3.27Å; A200-W202 HydrophobicContact CB-CD2 4.19Å; A200-W202 HydrophobicContact CB-CH2 4.47Å; A200-W202 HydrophobicContact CB-CZ2 3.9Å; A200-W202 PolarHBondContact O-N 2.86Å; W202-G204 PolarHBondContact O-N 2.85Å; W202-Y249 HydrophobicContact CH2-CD2 4.31Å; W202-Y249 HydrophobicContact CH2-CE2 4.46Å; W202-Y249 HydrophobicContact CZ2-CE2 4.36Å
203	C	84.8	Confident	90.7	Very high	13 Å²	13	39.7 Å²	39.7	9%	0.088	20%	0.198	C	C	.	.			trans	-77	115.4	-175.3	178.5	0	0	0	0	111.9	A200 P201 H205 C206 K207 Y249	A200-C203 HydrophobicContact CB-CB 4.14Å; A200-C203 WeakPolarHBondContact O-CB 3.5Å; A200-C203 PolarHBondContact O-N 2.98Å; P201-C203 VanDerWaalsContact C-N 3.31Å; P201-C203 PolarHBondContact O-N 3.45Å; C203-H205 PolarHBondContact O-N 2.88Å; C203-C206 HydrophobicContact CB-CB 4Å; C203-C206 WeakPolarHBondContact O-CB 3.26Å; C203-C206 PolarHBondContact O-N 3.47Å; C203-C206 VanDerWaalsContact SG-SG 3.69Å; C203-K207 PolarHBondContact O-N 3.15Å; C203-Y249 PolarHBondContact SG-O 3.29Å
204	G	77.4	Confident	90.6	Very high	34 Å²	34	41.7 Å²	41.7	35%	0.351	21%	0.207	S	C	.	.	H	α-helix	trans	-59.4	-29.4	179.3	0	0	0	0	0	114.6	W202 R208	W202-G204 PolarHBondContact O-N 2.85Å; G204-R208 WeakPolarHBondContact O-CG 3.23Å; G204-R208 PolarHBondContact O-N 3.49Å; G204-R208 PolarHBondContact O-NH1 2.83Å
205	H	87.1	Confident	90.4	Very high	113 Å²	113	46.4 Å²	46.4	52%	0.523	23%	0.228	S	C	.	.	H	α-helix	trans	-71.1	-37.2	174	-70.2	-97.4	0	0	0	112.1	C203 R208 L209 P250	C203-H205 PolarHBondContact O-N 2.88Å; H205-R208 PolarHBondContact CE1-NH2 3.09Å; H205-R208 VanDerWaalsContact CG-NH2 3.26Å; H205-R208 PolarHBondContact ND1-NH2 3.49Å; H205-R208 PolarHBondContact NE2-NH2 3.22Å; H205-R208 PolarHBondContact O-N 2.71Å; H205-L209 PolarHBondContact O-N 3.01Å; H205-L209 VanDerWaalsContact O-N 3.12Å; H205-P250 HydrophobicContact CB-CG 4.49Å
206	C	90.9	Very high	90.3	Very high	4 Å²	4	46.4 Å²	46.4	3%	0.027	23%	0.228	C	C	.	.	H	α-helix	trans	-65.1	-46.4	174.1	-62.8	0	0	0	0	111	C203 R208 L209 A210	C203-C206 HydrophobicContact CB-CB 4Å; C203-C206 WeakPolarHBondContact O-CB 3.26Å; C203-C206 PolarHBondContact O-N 3.47Å; C203-C206 VanDerWaalsContact SG-SG 3.69Å; C206-R208 PolarHBondContact O-N 3.37Å; C206-L209 PolarHBondContact O-N 2.95Å; C206-A210 PolarHBondContact O-N 3.41Å
207	K	83.2	Confident	90.3	Very high	78 Å²	78	46.5 Å²	46.5	34%	0.339	23%	0.228	S	C	.	.	H	α-helix	trans	-56.6	-37.8	176.6	-66.3	-176.7	-176.2	-179.5	0	112.4	D130 P201 C203 P211	D130-K207 PolarHBondContact O-NZ 2.7Å; P201-K207 WeakPolarHBondContact O-CE 3.48Å; C203-K207 PolarHBondContact O-N 3.15Å; K207-P211 VanDerWaalsContact O-CD 3.25Å; K207-P211 WeakPolarHBondContact O-CD 3.39Å
208	R	84.4	Confident	90.2	Very high	153 Å²	153	52.5 Å²	52.5	58%	0.577	25%	0.254	S	S	*	.	H	α-helix	trans	-71.5	-32.9	175	-72.8	-167.8	-59	-85.7	5.8	113.6	G204 H205 C206	G204-R208 WeakPolarHBondContact O-CG 3.23Å; G204-R208 PolarHBondContact O-N 3.49Å; G204-R208 PolarHBondContact O-NH1 2.83Å; H205-R208 PolarHBondContact CE1-NH2 3.09Å; H205-R208 VanDerWaalsContact CG-NH2 3.26Å; H205-R208 PolarHBondContact ND1-NH2 3.49Å; H205-R208 PolarHBondContact NE2-NH2 3.22Å; H205-R208 PolarHBondContact O-N 2.71Å; C206-R208 PolarHBondContact O-N 3.37Å
209	L	93.6	Very high	90.1	Very high	9 Å²	9	55.9 Å²	55.9	5%	0.047	27%	0.27	C	S	.	.	H	α-helix	trans	-76.9	-39.8	179.5	176.9	54.8	0	0	0	112.1	E197 H205 C206 E212 Y213 P250 L252 R267 I272	E197-L209 HydrophobicContact CG-CD2 4.44Å; H205-L209 PolarHBondContact O-N 3.01Å; H205-L209 VanDerWaalsContact O-N 3.12Å; C206-L209 PolarHBondContact O-N 2.95Å; L209-E212 WeakPolarHBondContact O-CA 3.44Å; L209-E212 PolarHBondContact O-N 3.03Å; L209-Y213 WeakPolarHBondContact O-CB 3.19Å; L209-Y213 PolarHBondContact O-N 3.21Å; L209-P250 HydrophobicContact CD2-CB 3.92Å; L209-P250 HydrophobicContact CD2-CG 3.69Å; L209-L252 HydrophobicContact CD2-CD1 4.21Å; L209-L252 HydrophobicContact CD2-CD2 4.15Å; L209-L252 HydrophobicContact CD2-CG 4.37Å; L209-R267 HydrophobicContact CD1-CB 4.06Å; L209-R267 WeakPolarHBondContact CD1-O 3.46Å; L209-I272 HydrophobicContact CD1-CD1 4.11Å
210	A	90.5	Very high	90.1	Very high	49 Å²	49	53.6 Å²	53.6	41%	0.405	26%	0.261	S	S	.	.	H	α-helix	trans	-43.2	-51.3	-175.8	0	0	0	0	0	114.7	C206 E212 Y213 E214	C206-A210 PolarHBondContact O-N 3.41Å; A210-E212 PolarHBondContact O-N 2.78Å; A210-Y213 PolarHBondContact O-N 2.92Å; A210-E214 VanDerWaalsContact O-CB 3.24Å; A210-E214 WeakPolarHBondContact O-CB 3.23Å; A210-E214 PolarHBondContact O-N 3.45Å
211	P	88.6	Confident	90.3	Very high	64 Å²	64	56.3 Å²	56.3	42%	0.416	28%	0.28	S	S	.	.	H	α-helix	trans	-66.9	-33	179.5	26.1	-35.6	0	0	0	113.7	K207 K215	K207-P211 VanDerWaalsContact O-CD 3.25Å; K207-P211 WeakPolarHBondContact O-CD 3.39Å; P211-K215 WeakPolarHBondContact O-CD 3.32Å; P211-K215 WeakPolarHBondContact O-CE 2.8Å; P211-K215 WeakPolarHBondContact O-CG 3.38Å; P211-K215 PolarHBondContact O-N 2.85Å
212	E	94.6	Very high	91	Very high	50 Å²	50	61.3 Å²	61.3	23%	0.234	30%	0.3	C	S	.	.	H	α-helix	trans	-74.5	-39.3	177.6	-66.9	-58.8	111.2	0	0	111.3	L209 A210 K215 A216 K269	L209-E212 WeakPolarHBondContact O-CA 3.44Å; L209-E212 PolarHBondContact O-N 3.03Å; A210-E212 PolarHBondContact O-N 2.78Å; E212-K215 IonicContact OE1-NZ 2.67Å; E212-K215 PolarHBondContact OE1-NZ 3.37Å; E212-A216 WeakPolarHBondContact O-CB 3.32Å; E212-A216 PolarHBondContact O-N 2.76Å; E212-K269 WeakPolarHBondContact OE2-CB 3.25Å; E212-K269 PolarHBondContact OE2-N 3.01Å
213	Y	97.4	Very high	91.8	Very high	3 Å²	3	58.7 Å²	58.7	1%	0.012	29%	0.29	C	S	.	.	H	α-helix	trans	-65.3	-44.3	177.8	-163.9	-108.2	0	0	0	111.8	T176 L195 E197 L209 A210 A216 A217 L229 A230 L252 I272	T176-Y213 HydrophobicContact CG2-CD1 3.52Å; T176-Y213 HydrophobicContact CG2-CE1 3.59Å; L195-Y213 HydrophobicContact CD2-CE2 3.7Å; L195-Y213 HydrophobicContact CG-CE2 3.93Å; L195-Y213 PolarHBondContact O-OH 2.97Å; E197-Y213 HydrophobicContact CB-CE1 4.01Å; E197-Y213 HydrophobicContact CB-CE2 4.34Å; E197-Y213 PolarHBondContact N-OH 3.16Å; L209-Y213 WeakPolarHBondContact O-CB 3.19Å; L209-Y213 PolarHBondContact O-N 3.21Å; A210-Y213 PolarHBondContact O-N 2.92Å; Y213-A216 WeakPolarHBondContact O-CB 3.26Å; Y213-A216 PolarHBondContact O-N 3.28Å; Y213-A217 WeakPolarHBondContact O-CB 3.27Å; Y213-A217 PolarHBondContact O-N 3.4Å; Y213-L229 HydrophobicContact CD1-CD2 4.36Å; Y213-L229 HydrophobicContact CD2-CD2 3.78Å; Y213-L229 HydrophobicContact CE1-CB 3.91Å; Y213-L229 HydrophobicContact CE1-CD2 4.12Å; Y213-L229 HydrophobicContact CE1-CG 4.21Å; Y213-L229 HydrophobicContact CE2-CB 4.46Å; Y213-L229 HydrophobicContact CE2-CD2 3.53Å; Y213-L229 HydrophobicContact CE2-CG 3.86Å; Y213-L229 HydrophobicContact CG-CD2 4.18Å; Y213-A230 WeakPolarHBondContact CE1-O 3.5Å; Y213-A230 PolarHBondContact OH-N 3.36Å; Y213-A230 PolarHBondContact OH-O 2.94Å; Y213-L252 HydrophobicContact CD2-CD2 4.45Å; Y213-L252 HydrophobicContact CE2-CD2 3.94Å; Y213-I272 HydrophobicContact CD2-CD1 4.12Å
214	E	94.7	Very high	92.1	Very high	53 Å²	53	64.1 Å²	64.1	25%	0.248	33%	0.327	C	S	.	.	H	α-helix	trans	-65.1	-42.6	177.7	-176.7	54.3	-146.8	0	0	112.2	E174 A175 T176 A210 A216 A217 K218	E174-E214 WeakPolarHBondContact CA-OE1 3.48Å; A175-E214 VanDerWaalsContact CB-OE1 3.32Å; A175-E214 WeakPolarHBondContact CB-OE1 3.34Å; A175-E214 PolarHBondContact N-OE1 3.29Å; T176-E214 WeakPolarHBondContact CG2-OE2 3.46Å; T176-E214 PolarHBondContact N-OE2 3.43Å; T176-E214 PolarHBondContact OG1-OE2 3.3Å; A210-E214 VanDerWaalsContact O-CB 3.24Å; A210-E214 WeakPolarHBondContact O-CB 3.23Å; A210-E214 PolarHBondContact O-N 3.45Å; E214-A216 VanDerWaalsContact C-N 3.33Å; E214-A216 PolarHBondContact O-N 3.13Å; E214-A217 PolarHBondContact O-N 2.76Å; E214-K218 PolarHBondContact O-N 2.88Å
215	K	93.1	Very high	92.8	Very high	100 Å²	100	66.8 Å²	66.8	44%	0.435	34%	0.339	S	S	.	.	H	α-helix	trans	-62.1	-40.2	172.5	-70.5	168.1	-158.7	164.8	0	111.9	P211 E212 E219 K269	P211-K215 WeakPolarHBondContact O-CD 3.32Å; P211-K215 WeakPolarHBondContact O-CE 2.8Å; P211-K215 WeakPolarHBondContact O-CG 3.38Å; P211-K215 PolarHBondContact O-N 2.85Å; E212-K215 IonicContact OE1-NZ 2.67Å; E212-K215 PolarHBondContact OE1-NZ 3.37Å; K215-E219 PolarHBondContact O-N 3.24Å; K215-K269 HydrophobicContact CB-CB 4.38Å; K215-K269 HydrophobicContact CB-CD 3.81Å; K215-K269 HydrophobicContact CB-CG 3.75Å; K215-K269 HydrophobicContact CD-CD 4.32Å
216	A	97.7	Very high	93.2	Very high	0 Å²	0	65 Å²	65	0%	0	34%	0.337	C	S	.	.	H	α-helix	trans	-66.7	-42.4	177.5	0	0	0	0	0	111.2	E212 Y213 E214 K218 E219 L220 L229 K269 I272 V273	E212-A216 WeakPolarHBondContact O-CB 3.32Å; E212-A216 PolarHBondContact O-N 2.76Å; Y213-A216 WeakPolarHBondContact O-CB 3.26Å; Y213-A216 PolarHBondContact O-N 3.28Å; E214-A216 VanDerWaalsContact C-N 3.33Å; E214-A216 PolarHBondContact O-N 3.13Å; A216-K218 VanDerWaalsContact C-N 3.33Å; A216-K218 PolarHBondContact O-N 2.72Å; A216-E219 PolarHBondContact O-N 2.99Å; A216-L220 VanDerWaalsContact O-CB 3.3Å; A216-L220 WeakPolarHBondContact O-CB 3.47Å; A216-L220 WeakPolarHBondContact O-CG 3.36Å; A216-L220 PolarHBondContact O-N 3.33Å; A216-L229 HydrophobicContact CB-CD2 4Å; A216-K269 HydrophobicContact CB-CG 4.37Å; A216-I272 HydrophobicContact CB-CB 3.93Å; A216-I272 HydrophobicContact CB-CD1 4.4Å; A216-I272 HydrophobicContact CB-CG2 3.72Å; A216-V273 HydrophobicContact CB-CG2 4.08Å
217	A	97.9	Very high	93.5	Very high	1 Å²	1	65 Å²	65	1%	0.008	34%	0.337	C	S	.	.	H	α-helix	trans	-58.8	-45.6	176.8	0	0	0	0	0	111.3	A175 T176 Y213 E214 E219 L220 S221 L229	A175-A217 HydrophobicContact CB-CB 3.86Å; T176-A217 HydrophobicContact CG2-CB 3.61Å; Y213-A217 WeakPolarHBondContact O-CB 3.27Å; Y213-A217 PolarHBondContact O-N 3.4Å; E214-A217 PolarHBondContact O-N 2.76Å; A217-E219 VanDerWaalsContact C-N 3.33Å; A217-E219 PolarHBondContact O-N 3.01Å; A217-L220 PolarHBondContact O-N 3.3Å; A217-S221 VanDerWaalsContact O-CB 3.26Å; A217-S221 WeakPolarHBondContact O-CB 3.3Å; A217-S221 PolarHBondContact O-N 3.44Å; A217-S221 PolarHBondContact O-OG 3.41Å; A217-L229 HydrophobicContact CB-CB 3.63Å; A217-L229 HydrophobicContact CB-CD2 3.96Å; A217-L229 HydrophobicContact CB-CG 4.36Å
218	K	95.6	Very high	94.2	Very high	132 Å²	132	63.3 Å²	63.3	57%	0.574	33%	0.334	S	S	*	.	H	α-helix	trans	-61	-38.1	176.3	-174.3	174.9	-178.3	173.9	0	113.2	A175 E214 A216 S221 Q222	A175-K218 HydrophobicContact CB-CB 3.96Å; E214-K218 PolarHBondContact O-N 2.88Å; A216-K218 VanDerWaalsContact C-N 3.33Å; A216-K218 PolarHBondContact O-N 2.72Å; K218-S221 PolarHBondContact O-OG 2.82Å; K218-Q222 WeakPolarHBondContact O-CG 3.32Å; K218-Q222 PolarHBondContact O-NE2 2.66Å
219	E	96.6	Very high	94.9	Very high	71 Å²	71	56 Å²	56	33%	0.332	31%	0.307	S	S	.	.	H	α-helix	trans	-75.7	-44.2	178.5	-171.8	166.4	146.5	0	0	111.8	K215 A216 A217 S221 Q222 K269 V273	K215-E219 PolarHBondContact O-N 3.24Å; A216-E219 PolarHBondContact O-N 2.99Å; A217-E219 VanDerWaalsContact C-N 3.33Å; A217-E219 PolarHBondContact O-N 3.01Å; E219-S221 PolarHBondContact O-N 3.02Å; E219-Q222 PolarHBondContact O-N 3.26Å; E219-K269 WeakPolarHBondContact OE2-CE 3.49Å; E219-K269 IonicContact OE2-NZ 2.81Å; E219-K269 PolarHBondContact OE2-NZ 3.23Å; E219-V273 HydrophobicContact CB-CG2 4.19Å; E219-V273 HydrophobicContact CG-CG2 4.3Å
220	L	97.3	Very high	95.1	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-69.7	-31.5	-177.7	-74.1	173.4	0	0	0	113.3	A216 A217 Q222 R223 I227 L229 I272 V273 M276	A216-L220 VanDerWaalsContact O-CB 3.3Å; A216-L220 WeakPolarHBondContact O-CB 3.47Å; A216-L220 WeakPolarHBondContact O-CG 3.36Å; A216-L220 PolarHBondContact O-N 3.33Å; A217-L220 PolarHBondContact O-N 3.3Å; L220-Q222 PolarHBondContact O-N 3.03Å; L220-R223 WeakPolarHBondContact O-CB 3.42Å; L220-R223 PolarHBondContact O-N 3.35Å; L220-I227 HydrophobicContact CB-CB 4.14Å; L220-I227 WeakPolarHBondContact CB-O 3.39Å; L220-I227 HydrophobicContact CD2-CB 4.4Å; L220-I227 HydrophobicContact CD2-CD1 4.09Å; L220-I227 PolarHBondContact O-N 3.39Å; L220-I227 VanDerWaalsContact O-N 3.08Å; L220-L229 HydrophobicContact CD1-CD1 3.45Å; L220-L229 VanDerWaalsContact CD1-CD1 3.45Å; L220-L229 HydrophobicContact CD1-CD2 4.42Å; L220-I272 HydrophobicContact CD1-CG2 4.4Å; L220-V273 HydrophobicContact CD2-CB 4.44Å; L220-V273 HydrophobicContact CD2-CG1 4.13Å; L220-V273 HydrophobicContact CD2-CG2 4.47Å; L220-V273 HydrophobicContact CG-CG2 4.15Å; L220-M276 HydrophobicContact CD1-CB 3.86Å; L220-M276 HydrophobicContact CD1-CG 4.2Å; L220-M276 HydrophobicContact CD2-CB 4.35Å
221	S	94.9	Very high	95.5	Very high	56 Å²	56	54.9 Å²	54.9	39%	0.392	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-19.1	172.7	54.7	0	0	0	0	114	A217 K218 E219 R223	A217-S221 VanDerWaalsContact O-CB 3.26Å; A217-S221 WeakPolarHBondContact O-CB 3.3Å; A217-S221 PolarHBondContact O-N 3.44Å; A217-S221 PolarHBondContact O-OG 3.41Å; K218-S221 PolarHBondContact O-OG 2.82Å; E219-S221 PolarHBondContact O-N 3.02Å; S221-R223 VanDerWaalsContact C-N 3.32Å
222	Q	93.8	Very high	95.9	Very high	148 Å²	148	51.8 Å²	51.8	69%	0.692	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.3	-3.5	177.9	-65.5	173.2	8.1	0	0	113.3	K218 E219 L220	K218-Q222 WeakPolarHBondContact O-CG 3.32Å; K218-Q222 PolarHBondContact O-NE2 2.66Å; E219-Q222 PolarHBondContact O-N 3.26Å; L220-Q222 PolarHBondContact O-N 3.03Å
223	R	93.4	Very high	96	Very high	102 Å²	102	50.9 Å²	50.9	39%	0.385	27%	0.269	S	S	.	.	S	Bend	trans	-74.1	166.2	178.1	-66.7	176.4	62	113.4	-11.3	112	L220 S221 P225 P226 S277	L220-R223 WeakPolarHBondContact O-CB 3.42Å; L220-R223 PolarHBondContact O-N 3.35Å; S221-R223 VanDerWaalsContact C-N 3.32Å; R223-P225 VanDerWaalsContact C-C 3.5Å; R223-P225 CarbonylContact C-O 3.57Å; R223-P225 VanDerWaalsContact CB-O 3.25Å; R223-P225 WeakPolarHBondContact CB-O 3.41Å; R223-P225 CarbonylContact O-C 3.51Å; R223-P225 VanDerWaalsContact O-C 3.29Å; R223-P226 WeakPolarHBondContact O-CA 3.45Å; R223-P226 VanDerWaalsContact O-N 3.15Å; R223-S277 PolarHBondContact NH1-OG 3.04Å
224	S	90.9	Very high	96	Very high	126 Å²	126	50.8 Å²	50.8	88%	0.881	27%	0.269	S	S	*	.	S	Bend	trans	-125	107.2	169.6	-171.5	0	0	0	0	109.7
225	P	93.1	Very high	95.8	Very high	90 Å²	90	50.9 Å²	50.9	58%	0.584	27%	0.273	S	S	*	.	S	Bend	cis	-70.1	157	-5.7	31.1	-35.3	0	0	0	112.8	R223	R223-P225 VanDerWaalsContact C-C 3.5Å; R223-P225 CarbonylContact C-O 3.57Å; R223-P225 VanDerWaalsContact CB-O 3.25Å; R223-P225 WeakPolarHBondContact CB-O 3.41Å; R223-P225 CarbonylContact O-C 3.51Å; R223-P225 VanDerWaalsContact O-C 3.29Å
226	P	94.9	Very high	95.9	Very high	77 Å²	77	50.9 Å²	50.9	50%	0.5	28%	0.281	S	S	.	.			trans	-67.1	147.6	175.3	28.9	-35	0	0	0	110.7	R223	R223-P226 WeakPolarHBondContact O-CA 3.45Å; R223-P226 VanDerWaalsContact O-N 3.15Å
227	I	97.9	Very high	95.9	Very high	2 Å²	2	52.6 Å²	52.6	1%	0.01	29%	0.289	C	S	.	.			trans	-113.3	102.8	173.4	-60.3	164.5	0	0	0	107.7	I193 L220 M276 A280	I193-I227 HydrophobicContact CG2-CG1 4.15Å; I193-I227 HydrophobicContact CG2-CG2 4.18Å; L220-I227 HydrophobicContact CB-CB 4.14Å; L220-I227 WeakPolarHBondContact CB-O 3.39Å; L220-I227 HydrophobicContact CD2-CB 4.4Å; L220-I227 HydrophobicContact CD2-CD1 4.09Å; L220-I227 PolarHBondContact O-N 3.39Å; L220-I227 VanDerWaalsContact O-N 3.08Å; I227-M276 HydrophobicContact CG2-CB 4.26Å; I227-M276 HydrophobicContact CG2-CE 3.76Å; I227-A280 HydrophobicContact CD1-CB 3.42Å; I227-A280 VanDerWaalsContact CD1-CB 3.42Å; I227-A280 HydrophobicContact CG1-CB 4.03Å
228	P	97.8	Very high	95.8	Very high	43 Å²	43	56.7 Å²	56.7	28%	0.279	31%	0.314	S	S	.	.			trans	-68.7	146.8	-179.7	-17.8	31.8	0	0	0	111.7	L177 I193 I194 L195	L177-P228 HydrophobicContact CD1-CB 3.98Å; I193-P228 WeakPolarHBondContact O-CD 3.46Å; I194-P228 WeakPolarHBondContact CA-O 3.47Å; I194-P228 HydrophobicContact CD1-CB 4Å; I194-P228 HydrophobicContact CG1-CB 4.01Å; I194-P228 WeakPolarHBondContact CG1-O 3.23Å; L195-P228 PolarHBondContact N-O 2.61Å; L195-P228 VanDerWaalsContact N-O 3.16Å
229	L	98.5	Very high	95.8	Very high	1 Å²	1	56.2 Å²	56.2	1%	0.005	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	145	166	-95.4	61.6	0	0	0	107.8	T176 L177 L195 Y213 A216 A217 L220 I272	T176-L229 WeakPolarHBondContact CA-O 3.43Å; T176-L229 HydrophobicContact CG2-CB 4.23Å; L177-L229 PolarHBondContact N-O 3.07Å; L195-L229 HydrophobicContact CB-CD1 3.94Å; L195-L229 HydrophobicContact CB-CG 3.98Å; L195-L229 HydrophobicContact CD2-CD1 4.38Å; L195-L229 HydrophobicContact CD2-CD2 4.35Å; L195-L229 HydrophobicContact CD2-CG 4.16Å; L195-L229 HydrophobicContact CG-CG 4.37Å; L195-L229 CarbonylContact O-C 3.49Å; L195-L229 WeakPolarHBondContact O-CA 3.48Å; Y213-L229 HydrophobicContact CD1-CD2 4.36Å; Y213-L229 HydrophobicContact CD2-CD2 3.78Å; Y213-L229 HydrophobicContact CE1-CB 3.91Å; Y213-L229 HydrophobicContact CE1-CD2 4.12Å; Y213-L229 HydrophobicContact CE1-CG 4.21Å; Y213-L229 HydrophobicContact CE2-CB 4.46Å; Y213-L229 HydrophobicContact CE2-CD2 3.53Å; Y213-L229 HydrophobicContact CE2-CG 3.86Å; Y213-L229 HydrophobicContact CG-CD2 4.18Å; A216-L229 HydrophobicContact CB-CD2 4Å; A217-L229 HydrophobicContact CB-CB 3.63Å; A217-L229 HydrophobicContact CB-CD2 3.96Å; A217-L229 HydrophobicContact CB-CG 4.36Å; L220-L229 HydrophobicContact CD1-CD1 3.45Å; L220-L229 VanDerWaalsContact CD1-CD1 3.45Å; L220-L229 HydrophobicContact CD1-CD2 4.42Å; L229-I272 HydrophobicContact CD2-CG2 4.07Å
230	A	98.4	Very high	95.8	Very high	0 Å²	0	53 Å²	53	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	157.1	-173.6	0	0	0	0	0	111.4	L177 L179 I194 L195 V196 E197 Y213	L177-A230 HydrophobicContact CB-CB 4Å; L177-A230 CarbonylContact O-C 3.41Å; L177-A230 WeakPolarHBondContact O-CA 3.29Å; L177-A230 WeakPolarHBondContact O-CB 3.41Å; L179-A230 HydrophobicContact CD1-CB 3.57Å; L179-A230 HydrophobicContact CG-CB 3.81Å; I194-A230 HydrophobicContact CD1-CB 3.86Å; I194-A230 HydrophobicContact CG1-CB 4.27Å; L195-A230 PolarHBondContact O-N 3.4Å; V196-A230 CarbonylContact C-O 3.51Å; V196-A230 VanDerWaalsContact CA-O 3.32Å; V196-A230 WeakPolarHBondContact CA-O 3.24Å; V196-A230 HydrophobicContact CG1-CB 4.46Å; V196-A230 HydrophobicContact CG2-CB 4.12Å; E197-A230 PolarHBondContact N-O 3.41Å; Y213-A230 WeakPolarHBondContact CE1-O 3.5Å; Y213-A230 PolarHBondContact OH-N 3.36Å; Y213-A230 PolarHBondContact OH-O 2.94Å
231	K	97.9	Very high	95.7	Very high	33 Å²	33	53.3 Å²	53.3	14%	0.143	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	146.2	175.5	63.7	-179.7	178	179.7	0	111.4	E174 L177 V178 L179 E197 Y199	E174-K231 IonicContact OE1-NZ 2.67Å; E174-K231 PolarHBondContact OE1-NZ 2.84Å; E174-K231 WeakPolarHBondContact OE2-CE 3.44Å; E174-K231 IonicContact OE2-NZ 3.15Å; E174-K231 PolarHBondContact OE2-NZ 3.45Å; L177-K231 PolarHBondContact O-N 3.38Å; V178-K231 HydrophobicContact CG2-CG 4.41Å; L179-K231 PolarHBondContact N-O 3.22Å; E197-K231 HydrophobicContact CB-CB 4.45Å; E197-K231 CarbonylContact O-C 3.6Å; E197-K231 VanDerWaalsContact O-CA 3.27Å; E197-K231 WeakPolarHBondContact O-CA 3.44Å; Y199-K231 HydrophobicContact CD1-CB 4Å; Y199-K231 HydrophobicContact CE1-CB 3.84Å; Y199-K231 HydrophobicContact CE1-CD 3.96Å; Y199-K231 HydrophobicContact CE1-CG 4.03Å
232	V	98.3	Very high	95.8	Very high	0 Å²	0	55.2 Å²	55.2	0%	0	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	121.1	176.4	177.1	0	0	0	0	107.5	L179 F184 V196 E197 F198 Y199 A234 E237 L240	L179-V232 HydrophobicContact CB-CG2 3.78Å; F184-V232 HydrophobicContact CD2-CG2 3.98Å; F184-V232 HydrophobicContact CE2-CG2 3.86Å; V196-V232 HydrophobicContact CG1-CG2 3.79Å; E197-V232 PolarHBondContact O-N 3.02Å; F198-V232 WeakPolarHBondContact CA-O 3.31Å; F198-V232 HydrophobicContact CD1-CB 3.77Å; F198-V232 HydrophobicContact CD1-CG1 3.85Å; F198-V232 HydrophobicContact CD1-CG2 4.32Å; F198-V232 HydrophobicContact CE1-CB 3.98Å; F198-V232 HydrophobicContact CE1-CG1 3.98Å; F198-V232 HydrophobicContact CE1-CG2 4.05Å; F198-V232 HydrophobicContact CG-CB 4.48Å; Y199-V232 WeakPolarHBondContact CD1-O 3.3Å; Y199-V232 PolarHBondContact N-O 3.35Å; V232-A234 PolarHBondContact O-N 3.18Å; V232-A234 VanDerWaalsContact O-N 3.1Å; V232-E237 HydrophobicContact CG1-CB 3.66Å; V232-E237 HydrophobicContact CG1-CG 4Å; V232-L240 HydrophobicContact CG1-CD1 4.23Å
233	D	96.9	Very high	95.9	Very high	30 Å²	30	53.7 Å²	53.7	16%	0.16	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	101	168.4	-172.1	-24.8	0	0	0	108.7	Y199 P201 T235 V236 E237	Y199-D233 HydrophobicContact CE1-CB 4.1Å; P201-D233 WeakPolarHBondContact CD-OD2 3.27Å; P201-D233 WeakPolarHBondContact CG-OD2 3.38Å; D233-T235 PolarHBondContact O-N 3.3Å; D233-T235 WeakPolarHBondContact OD1-CA 3.31Å; D233-T235 VanDerWaalsContact OD1-CB 3.31Å; D233-T235 WeakPolarHBondContact OD1-CB 3.3Å; D233-T235 PolarHBondContact OD1-N 3.19Å; D233-T235 PolarHBondContact OD1-OG1 3.43Å; D233-V236 HydrophobicContact CB-CB 4.49Å; D233-V236 HydrophobicContact CB-CG2 4.42Å; D233-V236 PolarHBondContact O-N 3.44Å; D233-E237 WeakPolarHBondContact O-CB 3.32Å; D233-E237 PolarHBondContact O-N 2.93Å
234	A	96.4	Very high	96	Very high	2 Å²	2	50.7 Å²	50.7	2%	0.017	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74	-9.1	-176.7	0	0	0	0	0	113.2	F198 Y199 V232 A241 Y249	F198-A234 HydrophobicContact CB-CB 4.37Å; Y199-A234 PolarHBondContact O-N 3.4Å; V232-A234 PolarHBondContact O-N 3.18Å; V232-A234 VanDerWaalsContact O-N 3.1Å; A234-A241 HydrophobicContact CB-CB 3.78Å; A234-Y249 HydrophobicContact CB-CD1 4.29Å; A234-Y249 HydrophobicContact CB-CE1 3.35Å
235	T	90.9	Very high	96.3	Very high	55 Å²	55	47.2 Å²	47.2	34%	0.337	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.7	-25.7	172.1	73.5	0	0	0	0	111.9	A200 D233	A200-T235 HydrophobicContact CB-CG2 3.44Å; A200-T235 VanDerWaalsContact CB-CG2 3.44Å; D233-T235 PolarHBondContact O-N 3.3Å; D233-T235 WeakPolarHBondContact OD1-CA 3.31Å; D233-T235 VanDerWaalsContact OD1-CB 3.31Å; D233-T235 WeakPolarHBondContact OD1-CB 3.3Å; D233-T235 PolarHBondContact OD1-N 3.19Å; D233-T235 PolarHBondContact OD1-OG1 3.43Å
236	V	95.1	Very high	96.4	Very high	99 Å²	99	43.7 Å²	43.7	60%	0.6	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.4	-51.4	174.2	-179.7	0	0	0	0	110	D233 T238	D233-V236 HydrophobicContact CB-CB 4.49Å; D233-V236 HydrophobicContact CB-CG2 4.42Å; D233-V236 PolarHBondContact O-N 3.44Å; V236-T238 PolarHBondContact O-N 3.44Å
237	E	97.2	Very high	96.3	Very high	36 Å²	36	47 Å²	47	17%	0.168	27%	0.272	C	S	.	.			trans	-87.1	53.3	-174.9	-60.8	-65.3	164.6	0	0	112.2	T180 K181 V232 D233 E239 L240 A241	T180-E237 VanDerWaalsContact CB-OE1 3.24Å; T180-E237 WeakPolarHBondContact CB-OE1 3.42Å; K181-E237 WeakPolarHBondContact CB-OE2 3.41Å; K181-E237 PolarHBondContact N-OE2 2.86Å; V232-E237 HydrophobicContact CG1-CB 3.66Å; V232-E237 HydrophobicContact CG1-CG 4Å; D233-E237 WeakPolarHBondContact O-CB 3.32Å; D233-E237 PolarHBondContact O-N 2.93Å; E237-E239 VanDerWaalsContact C-N 3.28Å; E237-E239 PolarHBondContact O-N 3.48Å; E237-L240 HydrophobicContact CB-CB 4.2Å; E237-L240 HydrophobicContact CB-CD1 4.07Å; E237-L240 HydrophobicContact CB-CG 4.39Å; E237-L240 HydrophobicContact CG-CD1 4.36Å; E237-L240 WeakPolarHBondContact O-CB 3.23Å; E237-L240 PolarHBondContact O-N 3.31Å; E237-L240 VanDerWaalsContact O-N 3.08Å; E237-A241 PolarHBondContact O-N 3.35Å
238	T	95.6	Very high	96.1	Very high	88 Å²	88	48.3 Å²	48.3	54%	0.54	29%	0.287	S	S	.	.	H	α-helix	trans	-60.4	-33.6	-172	56.7	0	0	0	0	113.7	V236 A241 S242	V236-T238 PolarHBondContact O-N 3.44Å; T238-A241 PolarHBondContact O-N 2.89Å; T238-S242 WeakPolarHBondContact O-CB 3.49Å; T238-S242 PolarHBondContact O-N 3.23Å
239	E	95.8	Very high	96	Very high	121 Å²	121	49.5 Å²	49.5	57%	0.565	29%	0.286	S	S	*	.	H	α-helix	trans	-66.8	-41.2	175.1	-69.5	-175.8	-169.1	0	0	112.2	K181 E237 S242 R243	K181-E239 WeakPolarHBondContact CE-OE2 3.44Å; K181-E239 IonicContact NZ-OE1 3.7Å; K181-E239 IonicContact NZ-OE2 2.64Å; K181-E239 PolarHBondContact NZ-OE2 2.83Å; E237-E239 VanDerWaalsContact C-N 3.28Å; E237-E239 PolarHBondContact O-N 3.48Å; E239-S242 PolarHBondContact O-N 3.01Å; E239-R243 VanDerWaalsContact O-CB 3.3Å; E239-R243 WeakPolarHBondContact O-CB 3.45Å; E239-R243 PolarHBondContact O-N 2.92Å
240	L	96.1	Very high	95.9	Very high	4 Å²	4	49.7 Å²	49.7	2%	0.021	29%	0.288	C	S	.	.	H	α-helix	trans	-64.6	-44.3	175.1	-72.8	-177.4	0	0	0	110.8	K181 F184 F198 V232 E237 S242 R243 F244	K181-L240 HydrophobicContact CB-CD1 4.44Å; K181-L240 HydrophobicContact CB-CG 4.43Å; F184-L240 HydrophobicContact CB-CD1 4.05Å; F184-L240 HydrophobicContact CB-CD2 4.25Å; F184-L240 HydrophobicContact CD1-CD2 4.42Å; F184-L240 HydrophobicContact CD2-CD1 3.79Å; F184-L240 HydrophobicContact CD2-CD2 4.39Å; F184-L240 HydrophobicContact CG-CD1 4.09Å; F184-L240 HydrophobicContact CG-CD2 4.1Å; F198-L240 HydrophobicContact CE1-CB 4.44Å; V232-L240 HydrophobicContact CG1-CD1 4.23Å; E237-L240 HydrophobicContact CB-CB 4.2Å; E237-L240 HydrophobicContact CB-CD1 4.07Å; E237-L240 HydrophobicContact CB-CG 4.39Å; E237-L240 HydrophobicContact CG-CD1 4.36Å; E237-L240 WeakPolarHBondContact O-CB 3.23Å; E237-L240 PolarHBondContact O-N 3.31Å; E237-L240 VanDerWaalsContact O-N 3.08Å; L240-S242 VanDerWaalsContact C-N 3.33Å; L240-S242 PolarHBondContact O-N 2.88Å; L240-R243 PolarHBondContact O-N 3.17Å; L240-F244 VanDerWaalsContact O-CD2 3.25Å; L240-F244 WeakPolarHBondContact O-CD2 3.17Å; L240-F244 PolarHBondContact O-N 3.28Å
241	A	96	Very high	95.8	Very high	6 Å²	6	51 Å²	51	5%	0.05	30%	0.295	C	S	.	.	H	α-helix	trans	-58.2	-45.7	176.5	0	0	0	0	0	111.4	A234 E237 T238 F244 G245 V246	A234-A241 HydrophobicContact CB-CB 3.78Å; E237-A241 PolarHBondContact O-N 3.35Å; T238-A241 PolarHBondContact O-N 2.89Å; A241-F244 PolarHBondContact O-N 2.96Å; A241-G245 PolarHBondContact O-N 2.97Å; A241-G245 VanDerWaalsContact O-N 3.16Å; A241-V246 HydrophobicContact CB-CB 4.12Å; A241-V246 WeakPolarHBondContact O-CB 3.25Å; A241-V246 PolarHBondContact O-N 2.94Å
242	S	96.6	Very high	95.9	Very high	97 Å²	97	49.6 Å²	49.6	68%	0.678	29%	0.29	S	S	*	.	H	α-helix	trans	-64.6	-44.6	176.7	-174.3	0	0	0	0	112.3	T238 E239 L240 F244 G245	T238-S242 WeakPolarHBondContact O-CB 3.49Å; T238-S242 PolarHBondContact O-N 3.23Å; E239-S242 PolarHBondContact O-N 3.01Å; L240-S242 VanDerWaalsContact C-N 3.33Å; L240-S242 PolarHBondContact O-N 2.88Å; S242-F244 PolarHBondContact O-N 3.38Å; S242-F244 VanDerWaalsContact O-N 3.15Å; S242-G245 PolarHBondContact O-N 3Å
243	R	96.3	Very high	95.8	Very high	115 Å²	115	50.1 Å²	50.1	43%	0.434	29%	0.292	S	S	.	.	H	α-helix	trans	-54.8	-34.6	179.3	-176.8	171	71.2	166.8	7.6	112.7	D185 E239 L240	D185-R243 IonicContact OD1-CZ 3.22Å; D185-R243 VanDerWaalsContact OD1-CZ 3.22Å; D185-R243 IonicContact OD1-NH1 2.91Å; D185-R243 PolarHBondContact OD1-NH1 3.35Å; D185-R243 IonicContact OD1-NH2 2.68Å; D185-R243 PolarHBondContact OD1-NH2 2.65Å; D185-R243 IonicContact OD2-NH1 3.03Å; D185-R243 PolarHBondContact OD2-NH1 3.34Å; E239-R243 VanDerWaalsContact O-CB 3.3Å; E239-R243 WeakPolarHBondContact O-CB 3.45Å; E239-R243 PolarHBondContact O-N 2.92Å; L240-R243 PolarHBondContact O-N 3.17Å
244	F	96.2	Very high	95.9	Very high	39 Å²	39	48.7 Å²	48.7	17%	0.171	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.7	13	179.5	-60.4	-64.5	0	0	0	113.9	F184 F198 L240 A241 S242 V246 K253 F255 A260	F184-F244 HydrophobicContact CD1-CE2 4.23Å; F184-F244 HydrophobicContact CD1-CZ 4.42Å; F184-F244 AromaticContact CE1-CE2 3.39Å; F184-F244 HydrophobicContact CE1-CE2 3.39Å; F184-F244 AromaticContact CE1-CZ 3.52Å; F184-F244 HydrophobicContact CE1-CZ 3.52Å; F184-F244 HydrophobicContact CE2-CE2 4.29Å; F184-F244 HydrophobicContact CZ-CD2 4.21Å; F184-F244 AromaticContact CZ-CE2 3.43Å; F184-F244 HydrophobicContact CZ-CE2 3.43Å; F184-F244 VanDerWaalsContact CZ-CE2 3.43Å; F184-F244 AromaticContact CZ-CZ 3.93Å; F184-F244 HydrophobicContact CZ-CZ 3.93Å; F198-F244 HydrophobicContact CE1-CD2 4.15Å; F198-F244 HydrophobicContact CZ-CB 4.4Å; F198-F244 AromaticContact CZ-CD2 3.63Å; F198-F244 HydrophobicContact CZ-CD2 3.63Å; F198-F244 HydrophobicContact CZ-CE2 4.29Å; F198-F244 HydrophobicContact CZ-CG 4.3Å; L240-F244 VanDerWaalsContact O-CD2 3.25Å; L240-F244 WeakPolarHBondContact O-CD2 3.17Å; L240-F244 PolarHBondContact O-N 3.28Å; A241-F244 PolarHBondContact O-N 2.96Å; S242-F244 PolarHBondContact O-N 3.38Å; S242-F244 VanDerWaalsContact O-N 3.15Å; F244-V246 VanDerWaalsContact C-N 3.33Å; F244-V246 PolarHBondContact O-N 3.08Å; F244-K253 HydrophobicContact CB-CD 4.07Å; F244-K253 WeakPolarHBondContact O-CE 3.47Å; F244-F255 HydrophobicContact CD1-CE1 4.13Å; F244-F255 HydrophobicContact CD1-CZ 4.14Å; F244-F255 HydrophobicContact CD2-CZ 4.32Å; F244-F255 AromaticContact CE1-CE1 3.56Å; F244-F255 HydrophobicContact CE1-CE1 3.56Å; F244-F255 AromaticContact CE1-CZ 3.97Å; F244-F255 HydrophobicContact CE1-CZ 3.97Å; F244-F255 HydrophobicContact CE2-CE1 4.23Å; F244-F255 HydrophobicContact CE2-CZ 4.13Å; F244-F255 HydrophobicContact CG-CZ 4.32Å; F244-F255 AromaticContact CZ-CE1 3.61Å; F244-F255 HydrophobicContact CZ-CE1 3.61Å; F244-F255 AromaticContact CZ-CZ 3.97Å; F244-F255 HydrophobicContact CZ-CZ 3.97Å; F244-A260 HydrophobicContact CD1-CB 4.15Å; F244-A260 HydrophobicContact CE1-CB 4.25Å
245	G	95.6	Very high	95.9	Very high	53 Å²	53	48.6 Å²	48.6	55%	0.546	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	63.2	35.9	174.2	0	0	0	0	0	113.9	A241 S242 T247	A241-G245 PolarHBondContact O-N 2.97Å; A241-G245 VanDerWaalsContact O-N 3.16Å; S242-G245 PolarHBondContact O-N 3Å; G245-T247 PolarHBondContact O-N 3.33Å
246	V	96.1	Very high	95.9	Very high	17 Å²	17	47.1 Å²	47.1	10%	0.103	27%	0.272	C	S	.	.			trans	-74.4	109.6	177	179.4	0	0	0	0	109.1	F198 A241 F244 Y249 T251	F198-V246 HydrophobicContact CB-CG1 4.01Å; F198-V246 HydrophobicContact CB-CG2 3.87Å; F198-V246 HydrophobicContact CD1-CG2 3.97Å; F198-V246 HydrophobicContact CD2-CG2 3.97Å; F198-V246 HydrophobicContact CG-CG2 3.66Å; A241-V246 HydrophobicContact CB-CB 4.12Å; A241-V246 WeakPolarHBondContact O-CB 3.25Å; A241-V246 PolarHBondContact O-N 2.94Å; F244-V246 VanDerWaalsContact C-N 3.33Å; F244-V246 PolarHBondContact O-N 3.08Å; V246-Y249 HydrophobicContact CG1-CD1 4.03Å; V246-Y249 HydrophobicContact CG1-CE1 3.63Å; V246-T251 HydrophobicContact CG2-CG2 4.17Å
247	T	93.5	Very high	95.7	Very high	145 Å²	145	49 Å²	49	89%	0.89	27%	0.272	S	S	*	.			trans	-109.9	0.9	179.7	61.3	0	0	0	0	113.6	G245	G245-T247 PolarHBondContact O-N 3.33Å
248	G	93.5	Very high	95.5	Very high	31 Å²	31	48.3 Å²	48.3	32%	0.32	27%	0.274	S	S	.	.	S	Bend	trans	-167.5	164.4	-179	0	0	0	0	0	112.2	T251	G248-T251 PolarHBondContact O-OG1 2.86Å
249	Y	94.4	Very high	95.3	Very high	68 Å²	68	49 Å²	49	27%	0.267	27%	0.27	S	S	.	.	S	Bend	trans	-125.4	141.7	-172.5	-50.9	-59	0	0	0	112.6	A200 W202 C203 A234 V246	A200-Y249 HydrophobicContact CB-CD2 3.54Å; A200-Y249 HydrophobicContact CB-CE2 3.82Å; A200-Y249 HydrophobicContact CB-CG 3.98Å; W202-Y249 HydrophobicContact CH2-CD2 4.31Å; W202-Y249 HydrophobicContact CH2-CE2 4.46Å; W202-Y249 HydrophobicContact CZ2-CE2 4.36Å; C203-Y249 PolarHBondContact SG-O 3.29Å; A234-Y249 HydrophobicContact CB-CD1 4.29Å; A234-Y249 HydrophobicContact CB-CE1 3.35Å; V246-Y249 HydrophobicContact CG1-CD1 4.03Å; V246-Y249 HydrophobicContact CG1-CE1 3.63Å
250	P	96.2	Very high	95.2	Very high	5 Å²	5	45.3 Å²	45.3	3%	0.032	26%	0.26	C	S	.	.	S	Bend	cis	-76.5	143.3	-10.5	25.8	-26.3	0	0	0	111.3	E197 F198 H205 L209 R267	E197-P250 HydrophobicContact CG-CB 4.12Å; E197-P250 WeakPolarHBondContact OE1-CB 3.46Å; F198-P250 WeakPolarHBondContact O-CA 3.45Å; H205-P250 HydrophobicContact CB-CG 4.49Å; L209-P250 HydrophobicContact CD2-CB 3.92Å; L209-P250 HydrophobicContact CD2-CG 3.69Å; P250-R267 PolarHBondContact O-NH1 3.27Å; P250-R267 PolarHBondContact O-NH2 3.43Å; P250-R267 VanDerWaalsContact O-NH2 3.13Å
251	T	98	Very high	95	Very high	26 Å²	26	47.5 Å²	47.5	16%	0.16	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	123.2	166.9	-70.6	0	0	0	0	108.8	F198 V246 G248 K253	F198-T251 PolarHBondContact N-O 3.43Å; F198-T251 PolarHBondContact O-N 3.47Å; V246-T251 HydrophobicContact CG2-CG2 4.17Å; G248-T251 PolarHBondContact O-OG1 2.86Å; T251-K253 HydrophobicContact CG2-CG 4.26Å
252	L	98.3	Very high	94.9	Very high	5 Å²	5	52 Å²	52	3%	0.026	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	132.3	178.8	-68.2	-178.6	0	0	0	109.2	L195 V196 E197 L209 Y213 Y263 R267	L195-L252 HydrophobicContact CD1-CB 4.19Å; V196-L252 WeakPolarHBondContact O-CA 3.48Å; E197-L252 HydrophobicContact CB-CD2 3.55Å; E197-L252 HydrophobicContact CG-CD2 3.75Å; L209-L252 HydrophobicContact CD2-CD1 4.21Å; L209-L252 HydrophobicContact CD2-CD2 4.15Å; L209-L252 HydrophobicContact CD2-CG 4.37Å; Y213-L252 HydrophobicContact CD2-CD2 4.45Å; Y213-L252 HydrophobicContact CE2-CD2 3.94Å; L252-Y263 HydrophobicContact CB-CD1 3.78Å; L252-Y263 HydrophobicContact CB-CG 3.81Å; L252-Y263 HydrophobicContact CD1-CD1 3.49Å; L252-Y263 VanDerWaalsContact CD1-CD1 3.49Å; L252-Y263 HydrophobicContact CD1-CE1 3.67Å; L252-Y263 HydrophobicContact CD1-CG 4.16Å; L252-Y263 HydrophobicContact CG-CD1 4.28Å; L252-Y263 VanDerWaalsContact O-CB 3.31Å; L252-Y263 WeakPolarHBondContact O-CB 3.46Å; L252-Y263 PolarHBondContact O-N 3.32Å; L252-R267 HydrophobicContact CD1-CG 4.27Å
253	K	97.8	Very high	94.8	Very high	10 Å²	10	48.2 Å²	48.2	4%	0.043	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	138.8	175.3	-67.9	-167.2	-175.6	-61.5	0	111.7	V196 F198 F244 T251 F255 F261 E262	V196-K253 PolarHBondContact N-O 3.16Å; V196-K253 PolarHBondContact O-N 3.49Å; F198-K253 HydrophobicContact CE2-CB 4.43Å; F198-K253 HydrophobicContact CE2-CD 4.36Å; F198-K253 HydrophobicContact CE2-CG 4.48Å; F244-K253 HydrophobicContact CB-CD 4.07Å; F244-K253 WeakPolarHBondContact O-CE 3.47Å; T251-K253 HydrophobicContact CG2-CG 4.26Å; K253-F255 HydrophobicContact CB-CD2 4.42Å; K253-F255 HydrophobicContact CB-CE2 3.7Å; K253-F255 HydrophobicContact CB-CZ 4.26Å; K253-F261 CarbonylContact C-O 3.6Å; K253-F261 WeakPolarHBondContact CA-O 3.47Å; K253-E262 IonicContact NZ-OE1 2.7Å; K253-E262 PolarHBondContact NZ-OE1 3.42Å; K253-E262 IonicContact NZ-OE2 2.73Å; K253-E262 PolarHBondContact NZ-OE2 2.59Å
254	I	97.4	Very high	94.6	Very high	1 Å²	1	48.2 Å²	48.2	1%	0.005	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	132	172	-65	166.5	0	0	0	108.3	I193 I194 L195 R256 A260 F261 Y263 F275 M276 Q279	I193-I254 HydrophobicContact CD1-CG2 3.9Å; I193-I254 HydrophobicContact CG1-CG2 3.74Å; I194-I254 CarbonylContact O-C 3.54Å; I194-I254 WeakPolarHBondContact O-CA 3.36Å; L195-I254 HydrophobicContact CD1-CG1 3.96Å; I254-R256 HydrophobicContact CG2-CG 4.26Å; I254-A260 CarbonylContact O-C 3.42Å; I254-A260 WeakPolarHBondContact O-CA 3.32Å; I254-F261 HydrophobicContact CB-CB 4.38Å; I254-F261 PolarHBondContact N-O 2.87Å; I254-F261 PolarHBondContact O-N 2.89Å; I254-Y263 HydrophobicContact CD1-CD2 3.94Å; I254-Y263 HydrophobicContact CG1-CD2 4.09Å; I254-F275 HydrophobicContact CD1-CD1 4.24Å; I254-F275 HydrophobicContact CD1-CE1 3.64Å; I254-M276 HydrophobicContact CD1-SD 3.81Å; I254-M276 HydrophobicContact CG1-CE 4.28Å; I254-M276 HydrophobicContact CG1-SD 3.8Å; I254-Q279 HydrophobicContact CD1-CG 4.09Å
255	F	96.8	Very high	94.5	Very high	0 Å²	0	47 Å²	47	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	137.9	169.8	-64.5	-102.5	0	0	0	109.6	F184 V188 I193 I194 V196 F198 F244 K253 K259 A260	F184-F255 HydrophobicContact CE1-CD1 4.49Å; F184-F255 AromaticContact CE1-CE1 3.9Å; F184-F255 HydrophobicContact CE1-CE1 3.9Å; F184-F255 HydrophobicContact CE1-CZ 4.07Å; F184-F255 AromaticContact CZ-CE1 3.87Å; F184-F255 HydrophobicContact CZ-CE1 3.87Å; F184-F255 HydrophobicContact CZ-CE2 4Å; F184-F255 AromaticContact CZ-CZ 3.55Å; F184-F255 HydrophobicContact CZ-CZ 3.55Å; V188-F255 HydrophobicContact CB-CB 4.02Å; V188-F255 HydrophobicContact CB-CD1 4.1Å; V188-F255 HydrophobicContact CB-CG 4.11Å; V188-F255 HydrophobicContact CG1-CB 4.29Å; V188-F255 HydrophobicContact CG1-CD1 4.24Å; V188-F255 HydrophobicContact CG1-CD2 4.39Å; V188-F255 HydrophobicContact CG1-CG 4.05Å; V188-F255 HydrophobicContact CG2-CD1 4.23Å; I193-F255 CarbonylContact C-O 3.51Å; I193-F255 VanDerWaalsContact CA-O 3.27Å; I193-F255 WeakPolarHBondContact CA-O 3.25Å; I194-F255 HydrophobicContact CG2-CB 3.66Å; I194-F255 PolarHBondContact N-O 3.48Å; I194-F255 PolarHBondContact O-N 3.48Å; V196-F255 HydrophobicContact CB-CD2 4.12Å; V196-F255 HydrophobicContact CB-CE2 3.82Å; V196-F255 HydrophobicContact CG2-CD2 3.5Å; V196-F255 VanDerWaalsContact CG2-CD2 3.5Å; V196-F255 HydrophobicContact CG2-CE2 3.62Å; F198-F255 HydrophobicContact CE2-CE2 4.39Å; F198-F255 HydrophobicContact CE2-CZ 4.47Å; F198-F255 HydrophobicContact CZ-CZ 4.48Å; F244-F255 HydrophobicContact CD1-CE1 4.13Å; F244-F255 HydrophobicContact CD1-CZ 4.14Å; F244-F255 HydrophobicContact CD2-CZ 4.32Å; F244-F255 AromaticContact CE1-CE1 3.56Å; F244-F255 HydrophobicContact CE1-CE1 3.56Å; F244-F255 AromaticContact CE1-CZ 3.97Å; F244-F255 HydrophobicContact CE1-CZ 3.97Å; F244-F255 HydrophobicContact CE2-CE1 4.23Å; F244-F255 HydrophobicContact CE2-CZ 4.13Å; F244-F255 HydrophobicContact CG-CZ 4.32Å; F244-F255 AromaticContact CZ-CE1 3.61Å; F244-F255 HydrophobicContact CZ-CE1 3.61Å; F244-F255 AromaticContact CZ-CZ 3.97Å; F244-F255 HydrophobicContact CZ-CZ 3.97Å; K253-F255 HydrophobicContact CB-CD2 4.42Å; K253-F255 HydrophobicContact CB-CE2 3.7Å; K253-F255 HydrophobicContact CB-CZ 4.26Å; F255-K259 CarbonylContact C-O 3.58Å; F255-K259 VanDerWaalsContact CA-O 3.29Å; F255-K259 WeakPolarHBondContact CA-O 3.34Å; F255-A260 HydrophobicContact CD1-CB 4Å; F255-A260 HydrophobicContact CE1-CB 3.58Å; F255-A260 HydrophobicContact CZ-CB 3.99Å
256	R	92.5	Very high	94.5	Very high	23 Å²	23	47.6 Å²	47.6	9%	0.087	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	106.9	171.9	-63	176.6	175.1	110.1	2.5	108.3	D192 I193 I254 G258 K259 F261 Q279	D192-R256 WeakPolarHBondContact O-CA 3.23Å; I193-R256 HydrophobicContact CB-CG 4.43Å; I193-R256 HydrophobicContact CG1-CG 4.3Å; I254-R256 HydrophobicContact CG2-CG 4.26Å; R256-G258 VanDerWaalsContact C-N 3.26Å; R256-G258 PolarHBondContact O-N 3.42Å; R256-K259 PolarHBondContact N-O 3.06Å; R256-K259 PolarHBondContact O-N 3.24Å; R256-K259 VanDerWaalsContact O-N 3.08Å; R256-F261 HydrophobicContact CB-CE2 4.15Å; R256-F261 HydrophobicContact CG-CD2 4.37Å; R256-F261 HydrophobicContact CG-CE2 4.24Å; R256-Q279 PolarHBondContact NH2-O 3.24Å
257	K	90.7	Very high	94.5	Very high	140 Å²	140	52 Å²	52	61%	0.609	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.3	51.9	-176.2	-54	-173.2	176.7	-171.5	0	111.2	D189 A191 D192 K259	D189-K257 WeakPolarHBondContact O-CA 3.37Å; A191-K257 PolarHBondContact O-N 3.24Å; D192-K257 WeakPolarHBondContact OD1-CE 3.36Å; D192-K257 IonicContact OD1-NZ 2.76Å; K257-K259 VanDerWaalsContact C-N 3.26Å; K257-K259 PolarHBondContact O-N 2.99Å
258	G	92.3	Very high	94.6	Very high	21 Å²	21	50.6 Å²	50.6	22%	0.216	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	82.1	-19.6	179.9	0	0	0	0	0	116.6	V188 D189 R256 A260	V188-G258 PolarHBondContact O-N 3.48Å; D189-G258 WeakPolarHBondContact OD1-CA 3.39Å; R256-G258 VanDerWaalsContact C-N 3.26Å; R256-G258 PolarHBondContact O-N 3.42Å; G258-A260 PolarHBondContact O-N 3.09Å
259	K	91.1	Very high	94.7	Very high	101 Å²	101	50.8 Å²	50.8	44%	0.439	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	121.8	-177.6	-66.4	177.3	-177.7	165.4	0	110.9	F255 R256 K257 F261 E322	F255-K259 CarbonylContact C-O 3.58Å; F255-K259 VanDerWaalsContact CA-O 3.29Å; F255-K259 WeakPolarHBondContact CA-O 3.34Å; R256-K259 PolarHBondContact N-O 3.06Å; R256-K259 PolarHBondContact O-N 3.24Å; R256-K259 VanDerWaalsContact O-N 3.08Å; K257-K259 VanDerWaalsContact C-N 3.26Å; K257-K259 PolarHBondContact O-N 2.99Å; K259-F261 HydrophobicContact CB-CE2 3.86Å; K259-F261 HydrophobicContact CB-CZ 4.18Å; K259-F261 VanDerWaalsContact O-CD2 3.29Å; K259-F261 WeakPolarHBondContact O-CD2 3.44Å; K259-F261 VanDerWaalsContact O-CE2 3.29Å; K259-F261 WeakPolarHBondContact O-CE2 3.41Å; K259-E322 IonicContact NZ-OE1 2.58Å; K259-E322 PolarHBondContact NZ-OE1 2.87Å; K259-E322 IonicContact NZ-OE2 3.54Å
260	A	93.9	Very high	94.7	Very high	45 Å²	45	55 Å²	55	37%	0.372	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	140	-179.1	0	0	0	0	0	112.6	F244 I254 F255 G258	F244-A260 HydrophobicContact CD1-CB 4.15Å; F244-A260 HydrophobicContact CE1-CB 4.25Å; I254-A260 CarbonylContact O-C 3.42Å; I254-A260 WeakPolarHBondContact O-CA 3.32Å; F255-A260 HydrophobicContact CD1-CB 4Å; F255-A260 HydrophobicContact CE1-CB 3.58Å; F255-A260 HydrophobicContact CZ-CB 3.99Å; G258-A260 PolarHBondContact O-N 3.09Å
261	F	92.8	Very high	94.8	Very high	49 Å²	49	55.5 Å²	55.5	22%	0.215	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	149.9	174.7	-59.6	-82.9	0	0	0	109.3	K253 I254 R256 K259 A326	K253-F261 CarbonylContact C-O 3.6Å; K253-F261 WeakPolarHBondContact CA-O 3.47Å; I254-F261 HydrophobicContact CB-CB 4.38Å; I254-F261 PolarHBondContact N-O 2.87Å; I254-F261 PolarHBondContact O-N 2.89Å; R256-F261 HydrophobicContact CB-CE2 4.15Å; R256-F261 HydrophobicContact CG-CD2 4.37Å; R256-F261 HydrophobicContact CG-CE2 4.24Å; K259-F261 HydrophobicContact CB-CE2 3.86Å; K259-F261 HydrophobicContact CB-CZ 4.18Å; K259-F261 VanDerWaalsContact O-CD2 3.29Å; K259-F261 WeakPolarHBondContact O-CD2 3.44Å; K259-F261 VanDerWaalsContact O-CE2 3.29Å; K259-F261 WeakPolarHBondContact O-CE2 3.41Å; F261-A326 HydrophobicContact CE1-CB 4.36Å
262	E	92.7	Very high	94.8	Very high	102 Å²	102	54.2 Å²	54.2	48%	0.477	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.8	145.3	173.9	-60.1	-52	144.3	0	0	111.2	K253	K253-E262 IonicContact NZ-OE1 2.7Å; K253-E262 PolarHBondContact NZ-OE1 3.42Å; K253-E262 IonicContact NZ-OE2 2.73Å; K253-E262 PolarHBondContact NZ-OE2 2.59Å
263	Y	95.6	Very high	94.8	Very high	17 Å²	17	54.4 Å²	54.4	7%	0.067	27%	0.268	C	S	.	.			trans	-94.4	111.4	168.8	178.8	-89.9	0	0	0	109.7	L195 L252 I254 G265 P266 I272 F275 M276	L195-Y263 HydrophobicContact CD1-CD2 3.57Å; L195-Y263 HydrophobicContact CD1-CE2 4.28Å; L195-Y263 HydrophobicContact CD1-CG 3.97Å; L195-Y263 HydrophobicContact CD2-CD2 4.13Å; L195-Y263 HydrophobicContact CD2-CE2 3.99Å; L252-Y263 HydrophobicContact CB-CD1 3.78Å; L252-Y263 HydrophobicContact CB-CG 3.81Å; L252-Y263 HydrophobicContact CD1-CD1 3.49Å; L252-Y263 VanDerWaalsContact CD1-CD1 3.49Å; L252-Y263 HydrophobicContact CD1-CE1 3.67Å; L252-Y263 HydrophobicContact CD1-CG 4.16Å; L252-Y263 HydrophobicContact CG-CD1 4.28Å; L252-Y263 VanDerWaalsContact O-CB 3.31Å; L252-Y263 WeakPolarHBondContact O-CB 3.46Å; L252-Y263 PolarHBondContact O-N 3.32Å; I254-Y263 HydrophobicContact CD1-CD2 3.94Å; I254-Y263 HydrophobicContact CG1-CD2 4.09Å; Y263-G265 WeakPolarHBondContact CE1-O 3.49Å; Y263-P266 PolarHBondContact OH-O 2.65Å; Y263-I272 WeakPolarHBondContact OH-CA 3.49Å; Y263-F275 AromaticContact CD2-CD1 3.83Å; Y263-F275 HydrophobicContact CD2-CD1 3.83Å; Y263-F275 AromaticContact CD2-CE1 3.84Å; Y263-F275 HydrophobicContact CD2-CE1 3.84Å; Y263-F275 HydrophobicContact CE2-CB 4.37Å; Y263-F275 AromaticContact CE2-CD1 3.34Å; Y263-F275 HydrophobicContact CE2-CD1 3.34Å; Y263-F275 AromaticContact CE2-CE1 3.84Å; Y263-F275 HydrophobicContact CE2-CE1 3.84Å; Y263-F275 HydrophobicContact CE2-CG 4.07Å; Y263-M276 HydrophobicContact CD2-SD 4.36Å; Y263-M276 HydrophobicContact CE2-SD 4.24Å
264	N	90.7	Very high	94.8	Very high	114 Å²	114	59.1 Å²	59.1	61%	0.61	29%	0.294	S	S	*	.			trans	-105.6	14	-179.6	-62.1	-49.8	0	0	0	113.1	E329	N264-E329 PolarHBondContact ND2-OE2 2.85Å
265	G	94	Very high	94.8	Very high	15 Å²	15	60.5 Å²	60.5	16%	0.155	30%	0.3	C	S	.	.	S	Bend	trans	-86.1	175.3	-178.4	0	0	0	0	0	114.3	Y263	Y263-G265 WeakPolarHBondContact CE1-O 3.49Å
266	P	96.1	Very high	94.8	Very high	65 Å²	65	60.5 Å²	60.5	42%	0.422	30%	0.3	S	S	.	.			trans	-68.8	157.1	174	-11.4	26.8	0	0	0	112.2	Y263 E268 I272	Y263-P266 PolarHBondContact OH-O 2.65Å; P266-E268 VanDerWaalsContact CB-OE2 3.25Å; P266-E268 WeakPolarHBondContact CB-OE2 3.12Å; P266-I272 WeakPolarHBondContact O-CG1 3.47Å
267	R	96.6	Very high	94.9	Very high	109 Å²	109	60.6 Å²	60.6	41%	0.411	30%	0.304	S	S	.	.	S	Bend	trans	-102.8	4.6	-173.2	-69.1	-175.8	-179.7	-165.5	-6.5	113.6	L209 P250 L252	L209-R267 HydrophobicContact CD1-CB 4.06Å; L209-R267 WeakPolarHBondContact CD1-O 3.46Å; P250-R267 PolarHBondContact O-NH1 3.27Å; P250-R267 PolarHBondContact O-NH2 3.43Å; P250-R267 VanDerWaalsContact O-NH2 3.13Å; L252-R267 HydrophobicContact CD1-CG 4.27Å
268	E	94.9	Very high	95	Very high	116 Å²	116	60.6 Å²	60.6	54%	0.542	31%	0.306	S	S	.	.	S	Bend	trans	-88.2	152.7	174.2	-57.2	76	-168.2	0	0	110.6	P266 Y270 G271 I272	P266-E268 VanDerWaalsContact CB-OE2 3.25Å; P266-E268 WeakPolarHBondContact CB-OE2 3.12Å; E268-Y270 PolarHBondContact O-N 3.35Å; E268-G271 PolarHBondContact O-N 3.39Å; E268-I272 WeakPolarHBondContact O-CG1 3.21Å; E268-I272 PolarHBondContact O-N 3.1Å
269	K	95.1	Very high	95	Very high	34 Å²	34	60.1 Å²	60.1	15%	0.148	30%	0.299	C	S	.	.	H	α-helix	trans	-45.3	-56	-175.1	178.2	-153	175.2	-155.3	0	113	E212 K215 A216 E219 G271 I272 V273	E212-K269 WeakPolarHBondContact OE2-CB 3.25Å; E212-K269 PolarHBondContact OE2-N 3.01Å; K215-K269 HydrophobicContact CB-CB 4.38Å; K215-K269 HydrophobicContact CB-CD 3.81Å; K215-K269 HydrophobicContact CB-CG 3.75Å; K215-K269 HydrophobicContact CD-CD 4.32Å; A216-K269 HydrophobicContact CB-CG 4.37Å; E219-K269 WeakPolarHBondContact OE2-CE 3.49Å; E219-K269 IonicContact OE2-NZ 2.81Å; E219-K269 PolarHBondContact OE2-NZ 3.23Å; K269-G271 VanDerWaalsContact C-N 3.34Å; K269-G271 PolarHBondContact O-N 3.02Å; K269-I272 PolarHBondContact O-N 2.96Å; K269-V273 VanDerWaalsContact O-CG2 3.27Å; K269-V273 WeakPolarHBondContact O-CG2 3.41Å; K269-V273 PolarHBondContact O-N 3.4Å
270	Y	96.3	Very high	95.1	Very high	157 Å²	157	57.3 Å²	57.3	62%	0.616	29%	0.294	S	S	*	.	H	α-helix	trans	-66.4	-36.7	-176.1	-65.7	-69.5	0	0	0	112.3	E268 V273 D274	E268-Y270 PolarHBondContact O-N 3.35Å; Y270-V273 PolarHBondContact O-N 3.45Å; Y270-D274 WeakPolarHBondContact O-CB 3.39Å; Y270-D274 VanDerWaalsContact O-CG 3.32Å; Y270-D274 PolarHBondContact O-N 2.9Å
271	G	97.8	Very high	95	Very high	15 Å²	15	56.5 Å²	56.5	16%	0.155	29%	0.29	C	S	.	.	H	α-helix	trans	-66.7	-39.8	176.1	0	0	0	0	0	112.7	E268 K269 F275	E268-G271 PolarHBondContact O-N 3.39Å; K269-G271 VanDerWaalsContact C-N 3.34Å; K269-G271 PolarHBondContact O-N 3.02Å; G271-F275 WeakPolarHBondContact O-CB 3.25Å; G271-F275 PolarHBondContact O-N 2.69Å
272	I	98.4	Very high	94.9	Very high	0 Å²	0	57.9 Å²	57.9	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-62.9	-47.9	173.2	-63.6	165.9	0	0	0	110.4	L195 L209 Y213 A216 L220 L229 Y263 P266 E268 K269 M276	L195-I272 HydrophobicContact CD2-CG2 3.81Å; L209-I272 HydrophobicContact CD1-CD1 4.11Å; Y213-I272 HydrophobicContact CD2-CD1 4.12Å; A216-I272 HydrophobicContact CB-CB 3.93Å; A216-I272 HydrophobicContact CB-CD1 4.4Å; A216-I272 HydrophobicContact CB-CG2 3.72Å; L220-I272 HydrophobicContact CD1-CG2 4.4Å; L229-I272 HydrophobicContact CD2-CG2 4.07Å; Y263-I272 WeakPolarHBondContact OH-CA 3.49Å; P266-I272 WeakPolarHBondContact O-CG1 3.47Å; E268-I272 WeakPolarHBondContact O-CG1 3.21Å; E268-I272 PolarHBondContact O-N 3.1Å; K269-I272 PolarHBondContact O-N 2.96Å; I272-M276 HydrophobicContact CG2-CG 4.26Å; I272-M276 VanDerWaalsContact O-CB 3.3Å; I272-M276 WeakPolarHBondContact O-CB 3.39Å; I272-M276 VanDerWaalsContact O-CG 3.31Å; I272-M276 WeakPolarHBondContact O-CG 3.45Å; I272-M276 PolarHBondContact O-N 2.78Å
273	V	98.1	Very high	94.9	Very high	8 Å²	8	53.6 Å²	53.6	5%	0.048	29%	0.285	C	S	.	.	H	α-helix	trans	-58.4	-53.6	178.9	171	0	0	0	0	110.4	A216 E219 L220 K269 Y270 F275 M276 S277	A216-V273 HydrophobicContact CB-CG2 4.08Å; E219-V273 HydrophobicContact CB-CG2 4.19Å; E219-V273 HydrophobicContact CG-CG2 4.3Å; L220-V273 HydrophobicContact CD2-CB 4.44Å; L220-V273 HydrophobicContact CD2-CG1 4.13Å; L220-V273 HydrophobicContact CD2-CG2 4.47Å; L220-V273 HydrophobicContact CG-CG2 4.15Å; K269-V273 VanDerWaalsContact O-CG2 3.27Å; K269-V273 WeakPolarHBondContact O-CG2 3.41Å; K269-V273 PolarHBondContact O-N 3.4Å; Y270-V273 PolarHBondContact O-N 3.45Å; V273-F275 PolarHBondContact O-N 3.02Å; V273-M276 PolarHBondContact O-N 2.78Å; V273-S277 WeakPolarHBondContact O-CB 3.45Å; V273-S277 PolarHBondContact O-N 3.09Å; V273-S277 PolarHBondContact O-OG 3.1Å
274	D	97.2	Very high	95	Very high	110 Å²	110	52.8 Å²	52.8	59%	0.588	28%	0.282	S	S	*	.	H	α-helix	trans	-62.4	-45.9	-177	-73.4	-18.2	0	0	0	111.5	Y270 S277 E278	Y270-D274 WeakPolarHBondContact O-CB 3.39Å; Y270-D274 VanDerWaalsContact O-CG 3.32Å; Y270-D274 PolarHBondContact O-N 2.9Å; D274-S277 WeakPolarHBondContact O-CB 3.26Å; D274-S277 PolarHBondContact O-N 2.97Å; D274-E278 PolarHBondContact O-N 2.86Å
275	F	96.4	Very high	95.2	Very high	30 Å²	30	53.6 Å²	53.6	13%	0.132	28%	0.28	C	S	.	.	H	α-helix	trans	-62.3	-51.5	179.3	-168.8	-92.8	0	0	0	111.4	I254 Y263 G271 V273 S277 E278 Q279 E329	I254-F275 HydrophobicContact CD1-CD1 4.24Å; I254-F275 HydrophobicContact CD1-CE1 3.64Å; Y263-F275 AromaticContact CD2-CD1 3.83Å; Y263-F275 HydrophobicContact CD2-CD1 3.83Å; Y263-F275 AromaticContact CD2-CE1 3.84Å; Y263-F275 HydrophobicContact CD2-CE1 3.84Å; Y263-F275 HydrophobicContact CE2-CB 4.37Å; Y263-F275 AromaticContact CE2-CD1 3.34Å; Y263-F275 HydrophobicContact CE2-CD1 3.34Å; Y263-F275 AromaticContact CE2-CE1 3.84Å; Y263-F275 HydrophobicContact CE2-CE1 3.84Å; Y263-F275 HydrophobicContact CE2-CG 4.07Å; G271-F275 WeakPolarHBondContact O-CB 3.25Å; G271-F275 PolarHBondContact O-N 2.69Å; V273-F275 PolarHBondContact O-N 3.02Å; F275-S277 VanDerWaalsContact C-N 3.27Å; F275-S277 PolarHBondContact O-N 2.85Å; F275-E278 PolarHBondContact O-N 3.06Å; F275-Q279 HydrophobicContact CD1-CG 3.7Å; F275-Q279 HydrophobicContact CE1-CG 3.53Å; F275-Q279 HydrophobicContact CG-CG 4.41Å; F275-Q279 HydrophobicContact CZ-CG 4.09Å; F275-Q279 WeakPolarHBondContact O-CB 3.43Å; F275-Q279 VanDerWaalsContact O-CG 3.23Å; F275-Q279 WeakPolarHBondContact O-CG 3.37Å; F275-Q279 PolarHBondContact O-N 2.95Å; F275-E329 WeakPolarHBondContact CZ-OE1 3.37Å
276	M	97.1	Very high	95.4	Very high	0 Å²	0	56.8 Å²	56.8	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-64.7	-33.7	-180	-70.3	-56.4	-62.9	0	0	112.2	I193 L195 L220 I227 I254 Y263 I272 V273 Q279 A280	I193-M276 HydrophobicContact CD1-CE 3.66Å; I193-M276 HydrophobicContact CG1-CE 3.69Å; L195-M276 HydrophobicContact CB-CE 3.7Å; L195-M276 HydrophobicContact CB-CG 4.43Å; L195-M276 HydrophobicContact CB-SD 3.88Å; L195-M276 HydrophobicContact CD1-SD 4.36Å; L195-M276 HydrophobicContact CD2-CG 3.96Å; L195-M276 HydrophobicContact CD2-SD 4Å; L195-M276 HydrophobicContact CG-SD 4.31Å; L220-M276 HydrophobicContact CD1-CB 3.86Å; L220-M276 HydrophobicContact CD1-CG 4.2Å; L220-M276 HydrophobicContact CD2-CB 4.35Å; I227-M276 HydrophobicContact CG2-CB 4.26Å; I227-M276 HydrophobicContact CG2-CE 3.76Å; I254-M276 HydrophobicContact CD1-SD 3.81Å; I254-M276 HydrophobicContact CG1-CE 4.28Å; I254-M276 HydrophobicContact CG1-SD 3.8Å; Y263-M276 HydrophobicContact CD2-SD 4.36Å; Y263-M276 HydrophobicContact CE2-SD 4.24Å; I272-M276 HydrophobicContact CG2-CG 4.26Å; I272-M276 VanDerWaalsContact O-CB 3.3Å; I272-M276 WeakPolarHBondContact O-CB 3.39Å; I272-M276 VanDerWaalsContact O-CG 3.31Å; I272-M276 WeakPolarHBondContact O-CG 3.45Å; I272-M276 PolarHBondContact O-N 2.78Å; V273-M276 PolarHBondContact O-N 2.78Å; M276-Q279 PolarHBondContact O-N 3.03Å; M276-A280 VanDerWaalsContact O-CB 3.3Å; M276-A280 WeakPolarHBondContact O-CB 3.36Å; M276-A280 PolarHBondContact O-N 2.82Å
277	S	95.2	Very high	95.4	Very high	24 Å²	24	53.9 Å²	53.9	17%	0.168	27%	0.272	C	S	.	.	H	α-helix	trans	-60.2	-45.7	173	-62.3	0	0	0	0	112.4	R223 V273 D274 F275	R223-S277 PolarHBondContact NH1-OG 3.04Å; V273-S277 WeakPolarHBondContact O-CB 3.45Å; V273-S277 PolarHBondContact O-N 3.09Å; V273-S277 PolarHBondContact O-OG 3.1Å; D274-S277 WeakPolarHBondContact O-CB 3.26Å; D274-S277 PolarHBondContact O-N 2.97Å; F275-S277 VanDerWaalsContact C-N 3.27Å; F275-S277 PolarHBondContact O-N 2.85Å
278	E	92.4	Very high	95.3	Very high	140 Å²	140	55.1 Å²	55.1	65%	0.654	28%	0.282	S	S	*	.	H	α-helix	trans	-67.3	-43.5	176.8	-176.9	174.3	-169.3	0	0	111.1	D274 F275 A280 G281 R328	D274-E278 PolarHBondContact O-N 2.86Å; F275-E278 PolarHBondContact O-N 3.06Å; E278-A280 VanDerWaalsContact C-N 3.26Å; E278-A280 PolarHBondContact O-N 2.88Å; E278-G281 PolarHBondContact O-N 2.96Å; E278-G281 VanDerWaalsContact O-N 3.08Å; E278-R328 PolarHBondContact O-NH2 3.19Å
279	Q	93.1	Very high	95.4	Very high	12 Å²	12	51.5 Å²	51.5	6%	0.056	27%	0.272	C	S	.	.	H	α-helix	trans	-66.7	-24.8	179	-68.5	-54.5	-37.5	0	0	113.5	I193 I254 R256 F275 M276 G281 R328	I193-Q279 HydrophobicContact CD1-CB 3.69Å; I254-Q279 HydrophobicContact CD1-CG 4.09Å; R256-Q279 PolarHBondContact NH2-O 3.24Å; F275-Q279 HydrophobicContact CD1-CG 3.7Å; F275-Q279 HydrophobicContact CE1-CG 3.53Å; F275-Q279 HydrophobicContact CG-CG 4.41Å; F275-Q279 HydrophobicContact CZ-CG 4.09Å; F275-Q279 WeakPolarHBondContact O-CB 3.43Å; F275-Q279 VanDerWaalsContact O-CG 3.23Å; F275-Q279 WeakPolarHBondContact O-CG 3.37Å; F275-Q279 PolarHBondContact O-N 2.95Å; M276-Q279 PolarHBondContact O-N 3.03Å; Q279-G281 VanDerWaalsContact C-N 3.34Å; Q279-R328 VanDerWaalsContact O-CZ 3.23Å; Q279-R328 PolarHBondContact O-NH1 3.14Å; Q279-R328 PolarHBondContact O-NH2 2.97Å
280	A	92.8	Very high	95.4	Very high	42 Å²	42	50.9 Å²	50.9	35%	0.347	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78	-17.1	173.2	0	0	0	0	0	113.5	I193 I227 M276 E278	I193-A280 HydrophobicContact CG2-CB 3.9Å; I227-A280 HydrophobicContact CD1-CB 3.42Å; I227-A280 VanDerWaalsContact CD1-CB 3.42Å; I227-A280 HydrophobicContact CG1-CB 4.03Å; M276-A280 VanDerWaalsContact O-CB 3.3Å; M276-A280 WeakPolarHBondContact O-CB 3.36Å; M276-A280 PolarHBondContact O-N 2.82Å; E278-A280 VanDerWaalsContact C-N 3.26Å; E278-A280 PolarHBondContact O-N 2.88Å
281	G	91.1	Very high	95.4	Very high	27 Å²	27	49.9 Å²	49.9	28%	0.278	27%	0.272	S	S	.	.	S	Bend	trans	-65	165.3	172.6	0	0	0	0	0	112.2	E278 Q279 R328	E278-G281 PolarHBondContact O-N 2.96Å; E278-G281 VanDerWaalsContact O-N 3.08Å; Q279-G281 VanDerWaalsContact C-N 3.34Å; G281-R328 VanDerWaalsContact O-CZ 3.29Å; G281-R328 PolarHBondContact O-NH1 3.13Å; G281-R328 PolarHBondContact O-NH2 2.83Å
282	P	91.3	Very high	95.2	Very high	78 Å²	78	53 Å²	53	51%	0.506	28%	0.283	S	S	.	.			trans	-64.4	140.4	177	28.4	-34.9	0	0	0	110.6	S284 F321	P282-S284 PolarHBondContact O-N 2.99Å; P282-F321 HydrophobicContact CB-CE2 4.36Å
283	P	93.4	Very high	95.1	Very high	12 Å²	12	53 Å²	53	8%	0.078	28%	0.283	C	S	.	.	S	Bend	trans	-66.5	-20.8	178	32.2	-39.9	0	0	0	112.7	F321 C324 N325 R328 F333	P283-F321 HydrophobicContact CG-CD1 4.03Å; P283-F321 HydrophobicContact CG-CD2 3.92Å; P283-F321 HydrophobicContact CG-CE1 3.83Å; P283-F321 HydrophobicContact CG-CE2 3.73Å; P283-F321 HydrophobicContact CG-CG 4.09Å; P283-F321 HydrophobicContact CG-CZ 3.69Å; P283-C324 HydrophobicContact CB-CB 3.8Å; P283-C324 HydrophobicContact CG-CB 4.09Å; P283-N325 HydrophobicContact CB-CB 4.35Å; P283-N325 VanDerWaalsContact CB-OD1 3.29Å; P283-N325 WeakPolarHBondContact CB-OD1 3.46Å; P283-N325 WeakPolarHBondContact CD-OD1 3.11Å; P283-N325 HydrophobicContact CG-CB 4.36Å; P283-N325 VanDerWaalsContact CG-OD1 3.25Å; P283-N325 WeakPolarHBondContact CG-OD1 3.49Å; P283-R328 HydrophobicContact CB-CB 4.26Å; P283-F333 WeakPolarHBondContact O-CB 3.38Å
284	S	96.5	Very high	94.9	Very high	1 Å²	1	57.4 Å²	57.4	1%	0.007	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	129.2	177.8	-179.1	0	0	0	0	110.3	P282 Y320 F333 R334 H335	P282-S284 PolarHBondContact O-N 2.99Å; S284-Y320 PolarHBondContact OG-OH 3.48Å; S284-F333 WeakPolarHBondContact CA-O 3.37Å; S284-R334 VanDerWaalsContact OG-CA 3.28Å; S284-R334 WeakPolarHBondContact OG-CA 3.34Å; S284-R334 PolarHBondContact OG-N 3.29Å; S284-R334 PolarHBondContact OG-O 3.5Å; S284-H335 PolarHBondContact O-CE1 3.31Å; S284-H335 PolarHBondContact O-ND1 3.43Å; S284-H335 PolarHBondContact OG-N 2.81Å; S284-H335 PolarHBondContact OG-ND1 2.99Å; S284-H335 VanDerWaalsContact OG-ND1 3.07Å
285	K	96.1	Very high	94.8	Very high	131 Å²	131	56.5 Å²	56.5	57%	0.57	30%	0.295	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.7	134	179.3	-62.3	-177.4	-179.5	179	0	110.9	F333 R334 H335	K285-F333 PolarHBondContact N-O 3.12Å; K285-F333 VanDerWaalsContact N-O 3.09Å; K285-R334 VanDerWaalsContact O-CA 3.23Å; K285-R334 WeakPolarHBondContact O-CA 3.47Å; K285-R334 WeakPolarHBondContact O-CD 3.44Å; K285-H335 PolarHBondContact O-N 2.94Å
286	Q	97.2	Very high	94.7	Very high	82 Å²	82	57.8 Å²	57.8	38%	0.383	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	137.1	177.2	-163	-173.1	33	0	0	111.2	Q288 H335 F337	Q286-Q288 HydrophobicContact CG-CG 4.49Å; Q286-H335 CarbonylContact C-O 3.5Å; Q286-H335 WeakPolarHBondContact CA-O 3.31Å; Q286-H335 WeakPolarHBondContact CB-NE2 3.34Å; Q286-H335 PolarHBondContact N-CE1 3.12Å; Q286-F337 VanDerWaalsContact NE2-CE2 3.32Å
287	I	96.4	Very high	94.5	Very high	4 Å²	4	58.8 Å²	58.8	2%	0.021	31%	0.308	C	S	.	.			trans	-113.6	128.5	170	-65.3	-178.5	0	0	0	108.5	A289 Q292 V293 L296 R334 H335 S336 V341	I287-A289 WeakPolarHBondContact CG2-O 3.44Å; I287-Q292 HydrophobicContact CG2-CB 3.77Å; I287-Q292 HydrophobicContact CG2-CG 4.43Å; I287-V293 HydrophobicContact CD1-CG2 3.99Å; I287-V293 HydrophobicContact CG2-CG2 3.8Å; I287-L296 HydrophobicContact CD1-CD1 3.86Å; I287-R334 HydrophobicContact CD1-CB 3.6Å; I287-R334 HydrophobicContact CD1-CG 3.6Å; I287-R334 HydrophobicContact CG1-CB 4.07Å; I287-R334 HydrophobicContact CG1-CG 4.22Å; I287-H335 PolarHBondContact N-O 3.1Å; I287-S336 VanDerWaalsContact O-CB 3.25Å; I287-S336 WeakPolarHBondContact O-CB 3.24Å; I287-S336 PolarHBondContact O-OG 2.87Å; I287-V341 HydrophobicContact CG2-CG2 4.37Å
288	Q	94.8	Very high	94.4	Very high	134 Å²	134	64 Å²	64	63%	0.626	33%	0.328	S	S	*	.			trans	-105.5	-27.5	-176.9	-64.3	-177.9	-12.6	0	0	112.4	Q286 Q292 S338	Q286-Q288 HydrophobicContact CG-CG 4.49Å; Q288-Q292 VanDerWaalsContact N-OE1 3.15Å; Q288-S338 PolarHBondContact O-OG 2.94Å
289	A	96.2	Very high	93.9	Very high	40 Å²	40	62.8 Å²	62.8	33%	0.331	33%	0.326	S	S	.	.			trans	-117.3	139	-175.7	0	0	0	0	0	112.8	I287 K291 Q292	I287-A289 WeakPolarHBondContact CG2-O 3.44Å; A289-K291 PolarHBondContact O-N 2.81Å; A289-Q292 HydrophobicContact CB-CG 4.34Å; A289-Q292 WeakPolarHBondContact O-CB 2.9Å; A289-Q292 PolarHBondContact O-N 3.29Å; A289-Q292 VanDerWaalsContact O-N 3.13Å
290	A	95.2	Very high	93.5	Very high	22 Å²	22	63 Å²	63	18%	0.182	33%	0.331	C	S	.	.	H	α-helix	trans	-54.9	-35.1	175.7	0	0	0	0	0	112.9	Q292 V293 Q294 L344	A290-Q292 VanDerWaalsContact C-N 3.3Å; A290-Q292 PolarHBondContact O-N 3.4Å; A290-V293 PolarHBondContact O-N 3.24Å; A290-V293 VanDerWaalsContact O-N 3.13Å; A290-Q294 WeakPolarHBondContact O-CG 3.47Å; A290-Q294 PolarHBondContact O-N 2.6Å; A290-Q294 VanDerWaalsContact O-N 3.1Å; A290-L344 HydrophobicContact CB-CB 4.47Å; A290-L344 HydrophobicContact CB-CD2 4.01Å; A290-L344 WeakPolarHBondContact O-CD2 3.38Å
291	K	95.8	Very high	93.2	Very high	136 Å²	136	64.5 Å²	64.5	59%	0.591	33%	0.334	S	S	*	.	H	α-helix	trans	-58.3	-38.6	178.7	-169.7	-177.1	-179	-154.3	0	113	A289 V293 Q294 E295	A289-K291 PolarHBondContact O-N 2.81Å; K291-V293 VanDerWaalsContact C-N 3.28Å; K291-V293 PolarHBondContact O-N 3.25Å; K291-Q294 PolarHBondContact O-N 3.36Å; K291-E295 WeakPolarHBondContact CE-OE1 3.35Å; K291-E295 HydrophobicContact CG-CG 4.49Å; K291-E295 IonicContact NZ-OE1 2.77Å; K291-E295 PolarHBondContact NZ-OE1 3.37Å; K291-E295 WeakPolarHBondContact O-CG 3.46Å; K291-E295 PolarHBondContact O-N 2.89Å
292	Q	95.1	Very high	93.2	Very high	80 Å²	80	65.8 Å²	65.8	37%	0.374	33%	0.334	S	S	.	.	H	α-helix	trans	-63	-37.6	178.9	-61.5	174.6	-84.3	0	0	111.2	I287 Q288 A289 A290 L296	I287-Q292 HydrophobicContact CG2-CB 3.77Å; I287-Q292 HydrophobicContact CG2-CG 4.43Å; Q288-Q292 VanDerWaalsContact N-OE1 3.15Å; A289-Q292 HydrophobicContact CB-CG 4.34Å; A289-Q292 WeakPolarHBondContact O-CB 2.9Å; A289-Q292 PolarHBondContact O-N 3.29Å; A289-Q292 VanDerWaalsContact O-N 3.13Å; A290-Q292 VanDerWaalsContact C-N 3.3Å; A290-Q292 PolarHBondContact O-N 3.4Å; Q292-L296 VanDerWaalsContact O-CG 3.28Å; Q292-L296 WeakPolarHBondContact O-CG 3.25Å; Q292-L296 PolarHBondContact O-N 2.89Å
293	V	95	Very high	93.4	Very high	0 Å²	0	62.5 Å²	62.5	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-70.1	-40.4	176	-175.6	0	0	0	0	111	I287 A290 K291 L296 I297 V341 L344 L345	I287-V293 HydrophobicContact CD1-CG2 3.99Å; I287-V293 HydrophobicContact CG2-CG2 3.8Å; A290-V293 PolarHBondContact O-N 3.24Å; A290-V293 VanDerWaalsContact O-N 3.13Å; K291-V293 VanDerWaalsContact C-N 3.28Å; K291-V293 PolarHBondContact O-N 3.25Å; V293-L296 PolarHBondContact O-N 2.88Å; V293-I297 HydrophobicContact CG1-CD1 3.8Å; V293-I297 HydrophobicContact CG1-CG1 4.42Å; V293-I297 WeakPolarHBondContact O-CG1 3.15Å; V293-I297 PolarHBondContact O-N 3.29Å; V293-V341 HydrophobicContact CG2-CG1 3.91Å; V293-L344 HydrophobicContact CB-CD2 3.93Å; V293-L344 HydrophobicContact CG1-CD2 4.16Å; V293-L345 HydrophobicContact CG1-CD2 3.63Å; V293-L345 HydrophobicContact CG1-CG 4.49Å
294	Q	95.2	Very high	93.5	Very high	101 Å²	101	62.5 Å²	62.5	47%	0.472	31%	0.313	S	S	.	.	H	α-helix	trans	-62.2	-42.8	177.3	-68.6	174.3	-35.3	0	0	112.1	A290 K291 I297 K298 L344	A290-Q294 WeakPolarHBondContact O-CG 3.47Å; A290-Q294 PolarHBondContact O-N 2.6Å; A290-Q294 VanDerWaalsContact O-N 3.1Å; K291-Q294 PolarHBondContact O-N 3.36Å; Q294-I297 PolarHBondContact O-N 3.39Å; Q294-K298 VanDerWaalsContact O-CB 3.26Å; Q294-K298 WeakPolarHBondContact O-CB 3.4Å; Q294-K298 PolarHBondContact O-N 3.47Å; Q294-L344 HydrophobicContact CG-CD1 4.22Å; Q294-L344 HydrophobicContact CG-CD2 3.82Å
295	E	94.4	Very high	93.6	Very high	91 Å²	91	62.5 Å²	62.5	43%	0.425	31%	0.313	S	S	.	.	H	α-helix	trans	-60.9	-44.4	175.7	-72.6	168.4	177.5	0	0	111.1	K291 I297 K298 D299	K291-E295 WeakPolarHBondContact CE-OE1 3.35Å; K291-E295 HydrophobicContact CG-CG 4.49Å; K291-E295 IonicContact NZ-OE1 2.77Å; K291-E295 PolarHBondContact NZ-OE1 3.37Å; K291-E295 WeakPolarHBondContact O-CG 3.46Å; K291-E295 PolarHBondContact O-N 2.89Å; E295-I297 VanDerWaalsContact C-N 3.34Å; E295-I297 PolarHBondContact O-N 3.18Å; E295-K298 PolarHBondContact O-N 3.29Å; E295-D299 PolarHBondContact O-N 3.14Å
296	L	93.4	Very high	93.7	Very high	56 Å²	56	56.2 Å²	56.2	29%	0.293	29%	0.286	S	S	.	.	H	α-helix	trans	-61.4	-40.2	176	-69.4	169.6	0	0	0	112.7	I287 Q292 V293 G300 V304 R334	I287-L296 HydrophobicContact CD1-CD1 3.86Å; Q292-L296 VanDerWaalsContact O-CG 3.28Å; Q292-L296 WeakPolarHBondContact O-CG 3.25Å; Q292-L296 PolarHBondContact O-N 2.89Å; V293-L296 PolarHBondContact O-N 2.88Å; L296-G300 VanDerWaalsContact O-CA 3.24Å; L296-G300 WeakPolarHBondContact O-CA 3.4Å; L296-G300 PolarHBondContact O-N 3.33Å; L296-G300 VanDerWaalsContact O-N 3.1Å; L296-V304 HydrophobicContact CB-CG1 4.08Å; L296-V304 HydrophobicContact CB-CG2 3.92Å; L296-V304 HydrophobicContact CD1-CG1 4.23Å; L296-R334 HydrophobicContact CD1-CG 4.4Å
297	I	94.2	Very high	93.8	Very high	21 Å²	21	52.3 Å²	52.3	11%	0.108	27%	0.267	C	S	.	.	H	α-helix	trans	-71.2	-38	178.8	-69.3	167.2	0	0	0	111.1	V293 Q294 E295 V304 I355 P357 E358	V293-I297 HydrophobicContact CG1-CD1 3.8Å; V293-I297 HydrophobicContact CG1-CG1 4.42Å; V293-I297 WeakPolarHBondContact O-CG1 3.15Å; V293-I297 PolarHBondContact O-N 3.29Å; Q294-I297 PolarHBondContact O-N 3.39Å; E295-I297 VanDerWaalsContact C-N 3.34Å; E295-I297 PolarHBondContact O-N 3.18Å; I297-V304 HydrophobicContact CG1-CG2 4.18Å; I297-I355 HydrophobicContact CD1-CB 4.49Å; I297-I355 HydrophobicContact CD1-CD1 3.99Å; I297-I355 HydrophobicContact CD1-CG2 3.98Å; I297-I355 HydrophobicContact CG1-CG2 4.03Å; I297-I355 HydrophobicContact CG2-CG2 4.49Å; I297-P357 CarbonylContact O-C 3.53Å; I297-P357 WeakPolarHBondContact O-CA 3.39Å; I297-E358 HydrophobicContact CG2-CB 4.45Å; I297-E358 HydrophobicContact CG2-CG 3.77Å; I297-E358 PolarHBondContact O-N 3.01Å
298	K	92.4	Very high	93.9	Very high	133 Å²	133	52.3 Å²	52.3	58%	0.578	27%	0.267	S	S	*	.	H	α-helix	trans	-76.2	-48.2	-175.3	-172.9	-173.8	174.2	-168.1	0	112.5	Q294 E295	Q294-K298 VanDerWaalsContact O-CB 3.26Å; Q294-K298 WeakPolarHBondContact O-CB 3.4Å; Q294-K298 PolarHBondContact O-N 3.47Å; E295-K298 PolarHBondContact O-N 3.29Å
299	D	81.9	Confident	94	Very high	115 Å²	115	46.1 Å²	46.1	62%	0.615	24%	0.238	S	C	*	.	H	α-helix	trans	-105.2	-2	-169.4	-56.9	-36.5	0	0	0	112.5	E295	E295-D299 PolarHBondContact O-N 3.14Å
300	G	85.9	Confident	94	Very high	16 Å²	16	48 Å²	48	17%	0.165	25%	0.249	C	C	.	.			trans	-71.1	160.3	-177.7	0	0	0	0	0	115.2	L296 P357 K359	L296-G300 VanDerWaalsContact O-CA 3.24Å; L296-G300 WeakPolarHBondContact O-CA 3.4Å; L296-G300 PolarHBondContact O-N 3.33Å; L296-G300 VanDerWaalsContact O-N 3.1Å; G300-P357 WeakPolarHBondContact O-CB 3.49Å; G300-K359 WeakPolarHBondContact O-CE 3.1Å; G300-K359 PolarHBondContact O-NZ 3.28Å
301	D	85.5	Confident	94	Very high	75 Å²	75	48.7 Å²	48.7	40%	0.401	25%	0.252	S	S	.	.	S	Bend	trans	-117.8	-6.1	178.7	-89.2	-39.2	0	0	0	113.8	K359 K398	D301-K359 IonicContact OD1-NZ 3.65Å; D301-K359 PolarHBondContact OD1-NZ 3.24Å; D301-K398 IonicContact OD1-NZ 2.66Å; D301-K398 PolarHBondContact OD1-NZ 2.92Å; D301-K398 IonicContact OD2-NZ 3.52Å; D301-K398 PolarHBondContact OD2-NZ 2.98Å
302	D	91.3	Very high	93.9	Very high	54 Å²	54	47.4 Å²	47.4	29%	0.289	25%	0.249	S	C	.	.	S	Bend	trans	-143.3	165.3	-175.8	-165.1	13.4	0	0	0	109.5	V304 P357 R405	D302-V304 PolarHBondContact O-N 3.01Å; D302-P357 WeakPolarHBondContact O-CD 3.35Å; D302-P357 WeakPolarHBondContact O-CG 3.45Å; D302-R405 IonicContact OD1-CZ 2.62Å; D302-R405 IonicContact OD1-NE 3.89Å; D302-R405 PolarHBondContact OD1-NE 2.84Å; D302-R405 VanDerWaalsContact OD1-NE 3.09Å; D302-R405 IonicContact OD1-NH2 2.69Å; D302-R405 IonicContact OD2-CZ 2.82Å; D302-R405 IonicContact OD2-NE 2.6Å; D302-R405 IonicContact OD2-NH2 3.84Å; D302-R405 PolarHBondContact OD2-NH2 3.32Å
303	A	95	Very high	93.8	Very high	9 Å²	9	50.6 Å²	50.6	7%	0.074	26%	0.264	C	S	.	.			trans	-59.7	135.4	-177.6	0	0	0	0	0	112.4	I354 S390	A303-I354 HydrophobicContact CB-CG2 3.96Å; A303-S390 WeakPolarHBondContact CB-O 3.44Å
304	V	96.9	Very high	93.6	Very high	11 Å²	11	52 Å²	52	7%	0.067	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	109.3	176.5	-173.8	0	0	0	0	108.6	L296 I297 D302 V306 I354 I355	L296-V304 HydrophobicContact CB-CG1 4.08Å; L296-V304 HydrophobicContact CB-CG2 3.92Å; L296-V304 HydrophobicContact CD1-CG1 4.23Å; I297-V304 HydrophobicContact CG1-CG2 4.18Å; D302-V304 PolarHBondContact O-N 3.01Å; V304-V306 HydrophobicContact CG1-CG2 3.86Å; V304-I354 WeakPolarHBondContact O-CA 3.25Å; V304-I355 PolarHBondContact N-O 3.01Å; V304-I355 PolarHBondContact O-N 2.92Å
305	I	98.3	Very high	93.5	Very high	1 Å²	1	49.4 Å²	49.4	1%	0.005	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	113	-179.3	-49.5	-177.5	0	0	0	109.5	F331 F333 R334 I352 I354 F386	I305-F331 HydrophobicContact CD1-CB 3.99Å; I305-F331 HydrophobicContact CD1-CD1 3.9Å; I305-F331 HydrophobicContact CD1-CG 4.05Å; I305-F333 HydrophobicContact CB-CD1 4.03Å; I305-F333 HydrophobicContact CB-CE1 4.47Å; I305-F333 HydrophobicContact CD1-CD1 4.07Å; I305-F333 HydrophobicContact CD1-CE1 3.69Å; I305-F333 HydrophobicContact CG2-CD1 3.78Å; I305-F333 HydrophobicContact CG2-CE1 4.1Å; I305-R334 PolarHBondContact O-N 2.77Å; I305-I352 HydrophobicContact CG2-CG2 4.21Å; I305-I354 HydrophobicContact CB-CG1 4.44Å; I305-I354 HydrophobicContact CG1-CD1 4.48Å; I305-I354 HydrophobicContact CG1-CG1 4.08Å; I305-I354 HydrophobicContact CG1-CG2 4.42Å; I305-I354 HydrophobicContact CG2-CG1 4.09Å; I305-F386 HydrophobicContact CD1-CB 4.45Å; I305-F386 HydrophobicContact CD1-CD1 4.36Å; I305-F386 HydrophobicContact CD1-CG 4.44Å; I305-F386 HydrophobicContact CG2-CD1 4.03Å; I305-F386 HydrophobicContact CG2-CE1 3.8Å
306	V	98.5	Very high	93.5	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	117.7	-178.5	-166.1	0	0	0	0	111.2	V304 I308 R334 L345 V353	V304-V306 HydrophobicContact CG1-CG2 3.86Å; V306-I308 HydrophobicContact CG1-CD1 3.83Å; V306-R334 CarbonylContact C-O 3.5Å; V306-R334 VanDerWaalsContact CA-O 3.25Å; V306-R334 WeakPolarHBondContact CA-O 3.47Å; V306-R334 HydrophobicContact CG1-CB 4.49Å; V306-R334 HydrophobicContact CG2-CB 4.31Å; V306-L345 HydrophobicContact CB-CD1 3.75Å; V306-L345 HydrophobicContact CG1-CD1 3.92Å; V306-L345 HydrophobicContact CG2-CD1 4.09Å; V306-V353 PolarHBondContact N-O 3.05Å; V306-V353 PolarHBondContact O-N 3.42Å
307	G	98.4	Very high	93.6	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83	132.8	166.7	0	0	0	0	0	111.9	F309 R334 H335 S336	G307-F309 VanDerWaalsContact CA-CE2 3.49Å; G307-R334 PolarHBondContact N-O 2.6Å; G307-H335 CarbonylContact O-C 3.6Å; G307-H335 WeakPolarHBondContact O-CA 3.49Å; G307-S336 PolarHBondContact O-N 3.32Å
308	I	98.3	Very high	93.6	Very high	4 Å²	4	48.7 Å²	48.7	2%	0.021	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	118.4	179	-56.7	-60.2	0	0	0	108.6	V306 S336 V341 A342 L345 A347 A349 G350 Q351 V353	V306-I308 HydrophobicContact CG1-CD1 3.83Å; I308-S336 WeakPolarHBondContact CA-O 3.45Å; I308-V341 HydrophobicContact CD1-CG1 3.85Å; I308-A342 HydrophobicContact CG2-CB 3.68Å; I308-L345 HydrophobicContact CD1-CD1 4.01Å; I308-L345 HydrophobicContact CG1-CD1 4.33Å; I308-A347 HydrophobicContact CG1-CB 4.19Å; I308-A349 CarbonylContact O-C 3.49Å; I308-A349 WeakPolarHBondContact O-CA 3.16Å; I308-G350 PolarHBondContact O-N 3.5Å; I308-Q351 PolarHBondContact N-O 3.24Å; I308-Q351 PolarHBondContact O-N 3.29Å; I308-V353 HydrophobicContact CG1-CG2 4.5Å
309	F	97.6	Very high	93.8	Very high	4 Å²	4	43.6 Å²	43.6	2%	0.018	24%	0.24	C	C	.	.			trans	-137.5	169.3	-173.3	-55.5	-72.9	0	0	0	111.3	G307 D314 A316 Y317 Y320 H335 S336 F337 I352	G307-F309 VanDerWaalsContact CA-CE2 3.49Å; F309-D314 HydrophobicContact CB-CB 4.25Å; F309-A316 HydrophobicContact CD1-CB 3.87Å; F309-A316 VanDerWaalsContact CE1-C 3.46Å; F309-A316 HydrophobicContact CE1-CB 3.74Å; F309-A316 WeakPolarHBondContact CE1-O 3.39Å; F309-Y317 AromaticContact CD2-CD2 3.52Å; F309-Y317 HydrophobicContact CD2-CD2 3.52Å; F309-Y317 HydrophobicContact CD2-CE2 4.47Å; F309-Y317 HydrophobicContact CD2-CG 4.24Å; F309-Y317 AromaticContact CE2-CD2 3.77Å; F309-Y317 HydrophobicContact CE2-CD2 3.77Å; F309-Y317 HydrophobicContact CG-CD2 4.17Å; F309-Y317 HydrophobicContact CG-CG 4.46Å; F309-Y320 AromaticContact CE2-CD1 3.58Å; F309-Y320 HydrophobicContact CE2-CD1 3.58Å; F309-Y320 HydrophobicContact CE2-CE1 4.16Å; F309-Y320 AromaticContact CE2-CG 3.82Å; F309-Y320 HydrophobicContact CE2-CG 3.82Å; F309-Y320 VanDerWaalsContact CZ-CB 3.49Å; F309-Y320 AromaticContact CZ-CD1 3.89Å; F309-Y320 HydrophobicContact CZ-CD1 3.89Å; F309-Y320 HydrophobicContact CZ-CD2 4.29Å; F309-Y320 AromaticContact CZ-CG 3.62Å; F309-Y320 HydrophobicContact CZ-CG 3.62Å; F309-H335 HydrophobicContact CD2-CB 4.45Å; F309-H335 HydrophobicContact CE2-CB 4.47Å; F309-S336 PolarHBondContact N-O 2.98Å; F309-S336 VanDerWaalsContact N-O 3.08Å; F309-F337 HydrophobicContact CB-CD1 3.92Å; F309-F337 HydrophobicContact CB-CE1 3.86Å; F309-F337 WeakPolarHBondContact O-CA 3.16Å; F309-I352 HydrophobicContact CZ-CG1 4.42Å
310	S	95	Very high	94.5	Very high	78 Å²	78	38.1 Å²	38.1	55%	0.545	21%	0.211	S	C	.	.	S	Bend	trans	-81.4	-42.2	179.1	55.6	0	0	0	0	112.9	D314	S310-D314 PolarHBondContact N-OD2 2.86Å; S310-D314 VanDerWaalsContact N-OD2 3.07Å; S310-D314 PolarHBondContact OG-OD2 2.98Å
311	S	94.9	Very high	94.9	Very high	37 Å²	37	40.2 Å²	40.2	26%	0.259	22%	0.216	S	C	.	.			trans	-161.4	-176.4	173.4	73.9	0	0	0	0	110.4	Q313 D314 F337	S311-Q313 PolarHBondContact O-N 3.12Å; S311-Q313 PolarHBondContact OG-N 3.23Å; S311-Q313 VanDerWaalsContact OG-N 3.15Å; S311-Q313 PolarHBondContact OG-OE1 2.87Å; S311-D314 VanDerWaalsContact O-CB 3.26Å; S311-D314 WeakPolarHBondContact O-CB 3.46Å; S311-D314 PolarHBondContact O-N 3.13Å; S311-F337 WeakPolarHBondContact O-CE1 3.37Å
312	E	93.9	Very high	95.2	Very high	110 Å²	110	40.5 Å²	40.5	51%	0.514	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-15	172.6	-66.1	178.5	174.1	0	0	113.5	D314 Y317 F337	E312-D314 VanDerWaalsContact C-N 3.32Å; E312-Y317 HydrophobicContact CB-CD1 4.37Å; E312-Y317 HydrophobicContact CB-CE1 4.17Å; E312-Y317 HydrophobicContact CG-CE1 4.15Å; E312-Y317 WeakPolarHBondContact O-CD1 3.38Å; E312-F337 HydrophobicContact CB-CZ 4.4Å; E312-F337 HydrophobicContact CG-CE2 3.72Å; E312-F337 HydrophobicContact CG-CZ 3.53Å
313	Q	92.9	Very high	95.4	Very high	147 Å²	147	38 Å²	38	69%	0.687	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91	2.8	178.4	-61.7	73.2	41.2	0	0	112.5	S311 A315	S311-Q313 PolarHBondContact O-N 3.12Å; S311-Q313 PolarHBondContact OG-N 3.23Å; S311-Q313 VanDerWaalsContact OG-N 3.15Å; S311-Q313 PolarHBondContact OG-OE1 2.87Å; Q313-A315 PolarHBondContact O-N 3.44Å
314	D	91.6	Very high	95.5	Very high	30 Å²	30	37.5 Å²	37.5	16%	0.16	20%	0.198	C	C	.	.			trans	-71	123	177.5	-165.4	-33.9	0	0	0	109.6	F309 S310 S311 E312 A316 Y317 E318	F309-D314 HydrophobicContact CB-CB 4.25Å; S310-D314 PolarHBondContact N-OD2 2.86Å; S310-D314 VanDerWaalsContact N-OD2 3.07Å; S310-D314 PolarHBondContact OG-OD2 2.98Å; S311-D314 VanDerWaalsContact O-CB 3.26Å; S311-D314 WeakPolarHBondContact O-CB 3.46Å; S311-D314 PolarHBondContact O-N 3.13Å; E312-D314 VanDerWaalsContact C-N 3.32Å; D314-A316 PolarHBondContact O-N 2.71Å; D314-A316 VanDerWaalsContact O-N 3.13Å; D314-A316 WeakPolarHBondContact OD1-CB 2.96Å; D314-A316 PolarHBondContact OD1-N 3.35Å; D314-Y317 WeakPolarHBondContact O-CA 3.45Å; D314-Y317 VanDerWaalsContact O-CB 3.25Å; D314-Y317 WeakPolarHBondContact O-CB 3.27Å; D314-Y317 PolarHBondContact O-N 3.42Å; D314-E318 PolarHBondContact O-N 2.92Å
315	A	92.2	Very high	95.2	Very high	46 Å²	46	38.6 Å²	38.6	38%	0.38	20%	0.203	S	C	.	.	H	α-helix	trans	-57.4	-30.8	179	0	0	0	0	0	112.3	Q313 Y317 E318 I319	Q313-A315 PolarHBondContact O-N 3.44Å; A315-Y317 VanDerWaalsContact C-N 3.3Å; A315-Y317 PolarHBondContact O-N 2.91Å; A315-E318 PolarHBondContact O-N 3.27Å; A315-I319 PolarHBondContact O-N 2.96Å
316	A	95.7	Very high	94.9	Very high	6 Å²	6	40.2 Å²	40.2	5%	0.05	22%	0.216	C	C	.	.	H	α-helix	trans	-68.3	-30.1	174.8	0	0	0	0	0	112.7	F309 D314 Y320 V373	F309-A316 HydrophobicContact CD1-CB 3.87Å; F309-A316 VanDerWaalsContact CE1-C 3.46Å; F309-A316 HydrophobicContact CE1-CB 3.74Å; F309-A316 WeakPolarHBondContact CE1-O 3.39Å; D314-A316 PolarHBondContact O-N 2.71Å; D314-A316 VanDerWaalsContact O-N 3.13Å; D314-A316 WeakPolarHBondContact OD1-CB 2.96Å; D314-A316 PolarHBondContact OD1-N 3.35Å; A316-Y320 WeakPolarHBondContact O-CB 3.15Å; A316-Y320 PolarHBondContact O-N 2.67Å; A316-Y320 VanDerWaalsContact O-N 3.16Å; A316-V373 HydrophobicContact CB-CB 3.82Å; A316-V373 HydrophobicContact CB-CG1 3.75Å
317	Y	96	Very high	94.6	Very high	20 Å²	20	40.7 Å²	40.7	8%	0.078	22%	0.219	C	C	.	.	H	α-helix	trans	-68.3	-40.5	175.5	176.6	-111.9	0	0	0	111.1	F309 E312 D314 A315 Y320 F321 H335 F337	F309-Y317 AromaticContact CD2-CD2 3.52Å; F309-Y317 HydrophobicContact CD2-CD2 3.52Å; F309-Y317 HydrophobicContact CD2-CE2 4.47Å; F309-Y317 HydrophobicContact CD2-CG 4.24Å; F309-Y317 AromaticContact CE2-CD2 3.77Å; F309-Y317 HydrophobicContact CE2-CD2 3.77Å; F309-Y317 HydrophobicContact CG-CD2 4.17Å; F309-Y317 HydrophobicContact CG-CG 4.46Å; E312-Y317 HydrophobicContact CB-CD1 4.37Å; E312-Y317 HydrophobicContact CB-CE1 4.17Å; E312-Y317 HydrophobicContact CG-CE1 4.15Å; E312-Y317 WeakPolarHBondContact O-CD1 3.38Å; D314-Y317 WeakPolarHBondContact O-CA 3.45Å; D314-Y317 VanDerWaalsContact O-CB 3.25Å; D314-Y317 WeakPolarHBondContact O-CB 3.27Å; D314-Y317 PolarHBondContact O-N 3.42Å; A315-Y317 VanDerWaalsContact C-N 3.3Å; A315-Y317 PolarHBondContact O-N 2.91Å; Y317-Y320 HydrophobicContact CD2-CD1 4.31Å; Y317-Y320 PolarHBondContact O-N 2.96Å; Y317-F321 HydrophobicContact CE1-CD2 4.29Å; Y317-F321 HydrophobicContact CE2-CD2 4.33Å; Y317-F321 AromaticContact CZ-CD2 3.8Å; Y317-F321 VanDerWaalsContact O-CB 3.24Å; Y317-F321 WeakPolarHBondContact O-CB 3.2Å; Y317-F321 PolarHBondContact O-N 2.89Å; Y317-F321 WeakPolarHBondContact OH-CD2 3.36Å; Y317-H335 HydrophobicContact CE2-CB 4.2Å; Y317-H335 AromaticContact CE2-CD2 3.78Å; Y317-H335 AromaticContact CE2-CG 3.76Å; Y317-F337 HydrophobicContact CD2-CE1 4.39Å; Y317-F337 HydrophobicContact CE2-CZ 4.36Å
318	E	93.3	Very high	94.2	Very high	126 Å²	126	42.7 Å²	42.7	59%	0.589	23%	0.227	S	C	*	.	H	α-helix	trans	-60.9	-48.2	177.7	-65.1	-174.1	166.5	0	0	112	D314 A315 Y320 F321 E322	D314-E318 PolarHBondContact O-N 2.92Å; A315-E318 PolarHBondContact O-N 3.27Å; E318-Y320 VanDerWaalsContact C-N 3.33Å; E318-Y320 PolarHBondContact O-N 2.96Å; E318-F321 PolarHBondContact O-N 3.47Å; E318-E322 PolarHBondContact O-N 3.37Å
319	I	95.8	Very high	93.8	Very high	26 Å²	26	45.5 Å²	45.5	13%	0.133	24%	0.24	C	C	.	.	H	α-helix	trans	-59.6	-44.6	177.1	-63.1	163.9	0	0	0	110.7	A315 A323 V373 V379 V382	A315-I319 PolarHBondContact O-N 2.96Å; I319-A323 PolarHBondContact O-N 3.16Å; I319-V373 HydrophobicContact CB-CG1 4.02Å; I319-V373 HydrophobicContact CD1-CG1 3.88Å; I319-V373 HydrophobicContact CG2-CG1 4.08Å; I319-V379 HydrophobicContact CG2-CG2 4.19Å; I319-V382 HydrophobicContact CG2-CG2 4Å
320	Y	97.3	Very high	93.4	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-62.8	-46.3	176.5	167.6	-99.9	0	0	0	112.1	S284 F309 A316 Y317 E318 E322 A323 C324 F333 R334 H335 I352 F386	S284-Y320 PolarHBondContact OG-OH 3.48Å; F309-Y320 AromaticContact CE2-CD1 3.58Å; F309-Y320 HydrophobicContact CE2-CD1 3.58Å; F309-Y320 HydrophobicContact CE2-CE1 4.16Å; F309-Y320 AromaticContact CE2-CG 3.82Å; F309-Y320 HydrophobicContact CE2-CG 3.82Å; F309-Y320 VanDerWaalsContact CZ-CB 3.49Å; F309-Y320 AromaticContact CZ-CD1 3.89Å; F309-Y320 HydrophobicContact CZ-CD1 3.89Å; F309-Y320 HydrophobicContact CZ-CD2 4.29Å; F309-Y320 AromaticContact CZ-CG 3.62Å; F309-Y320 HydrophobicContact CZ-CG 3.62Å; A316-Y320 WeakPolarHBondContact O-CB 3.15Å; A316-Y320 PolarHBondContact O-N 2.67Å; A316-Y320 VanDerWaalsContact O-N 3.16Å; Y317-Y320 HydrophobicContact CD2-CD1 4.31Å; Y317-Y320 PolarHBondContact O-N 2.96Å; E318-Y320 VanDerWaalsContact C-N 3.33Å; E318-Y320 PolarHBondContact O-N 2.96Å; Y320-E322 VanDerWaalsContact C-N 3.31Å; Y320-E322 PolarHBondContact O-N 2.9Å; Y320-A323 PolarHBondContact O-N 2.7Å; Y320-C324 VanDerWaalsContact CE1-SG 3.59Å; Y320-C324 WeakPolarHBondContact CE2-SG 3.41Å; Y320-C324 PolarHBondContact O-N 3.09Å; Y320-C324 PolarHBondContact O-SG 3.45Å; Y320-F333 WeakPolarHBondContact OH-CB 3.31Å; Y320-R334 PolarHBondContact OH-N 2.88Å; Y320-R334 PolarHBondContact OH-O 2.57Å; Y320-H335 HydrophobicContact CE1-CB 4.09Å; Y320-I352 HydrophobicContact CD2-CD1 3.57Å; Y320-I352 HydrophobicContact CD2-CG1 3.72Å; Y320-I352 HydrophobicContact CE2-CD1 4.36Å; Y320-I352 HydrophobicContact CE2-CG1 4.27Å; Y320-I352 HydrophobicContact CE2-CG2 4.38Å; Y320-I352 HydrophobicContact CG-CD1 4.41Å; Y320-F386 HydrophobicContact CD2-CE1 4.36Å; Y320-F386 AromaticContact CD2-CZ 3.82Å; Y320-F386 HydrophobicContact CD2-CZ 3.82Å; Y320-F386 HydrophobicContact CE2-CE1 4.12Å; Y320-F386 AromaticContact CE2-CZ 3.72Å; Y320-F386 HydrophobicContact CE2-CZ 3.72Å
321	F	94.6	Very high	93.4	Very high	61 Å²	61	45.3 Å²	45.3	27%	0.268	23%	0.232	S	C	.	.	H	α-helix	trans	-62.8	-39.7	-178.6	-168.8	-88.8	0	0	0	111.5	P282 P283 Y317 E318 C324 N325	P282-F321 HydrophobicContact CB-CE2 4.36Å; P283-F321 HydrophobicContact CG-CD1 4.03Å; P283-F321 HydrophobicContact CG-CD2 3.92Å; P283-F321 HydrophobicContact CG-CE1 3.83Å; P283-F321 HydrophobicContact CG-CE2 3.73Å; P283-F321 HydrophobicContact CG-CG 4.09Å; P283-F321 HydrophobicContact CG-CZ 3.69Å; Y317-F321 HydrophobicContact CE1-CD2 4.29Å; Y317-F321 HydrophobicContact CE2-CD2 4.33Å; Y317-F321 AromaticContact CZ-CD2 3.8Å; Y317-F321 VanDerWaalsContact O-CB 3.24Å; Y317-F321 WeakPolarHBondContact O-CB 3.2Å; Y317-F321 PolarHBondContact O-N 2.89Å; Y317-F321 WeakPolarHBondContact OH-CD2 3.36Å; E318-F321 PolarHBondContact O-N 3.47Å; F321-C324 PolarHBondContact O-N 3.07Å; F321-N325 WeakPolarHBondContact CE1-ND2 3.48Å; F321-N325 PolarHBondContact O-N 2.78Å
322	E	92.5	Very high	93.3	Very high	81 Å²	81	47.5 Å²	47.5	38%	0.379	24%	0.244	S	C	.	.	H	α-helix	trans	-63.6	-45.8	173.4	-170	179.5	147.7	0	0	111.9	K259 E318 Y320 C324 N325 A326 V379	K259-E322 IonicContact NZ-OE1 2.58Å; K259-E322 PolarHBondContact NZ-OE1 2.87Å; K259-E322 IonicContact NZ-OE2 3.54Å; E318-E322 PolarHBondContact O-N 3.37Å; Y320-E322 VanDerWaalsContact C-N 3.31Å; Y320-E322 PolarHBondContact O-N 2.9Å; E322-C324 VanDerWaalsContact C-N 3.29Å; E322-C324 PolarHBondContact O-N 2.7Å; E322-N325 WeakPolarHBondContact O-CB 3.45Å; E322-N325 PolarHBondContact O-N 2.74Å; E322-A326 PolarHBondContact O-N 3.08Å; E322-V379 HydrophobicContact CB-CG1 4.46Å; E322-V379 HydrophobicContact CB-CG2 4.11Å; E322-V379 HydrophobicContact CG-CG1 4.15Å; E322-V379 HydrophobicContact CG-CG2 4.07Å
323	A	95.5	Very high	93.5	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-60.8	-39.7	175.7	0	0	0	0	0	112	I319 Y320 A326 L327 V379 V382 Q383 F386	I319-A323 PolarHBondContact O-N 3.16Å; Y320-A323 PolarHBondContact O-N 2.7Å; A323-A326 PolarHBondContact O-N 3.23Å; A323-L327 PolarHBondContact O-N 3.1Å; A323-V379 HydrophobicContact CB-CG1 4.01Å; A323-V382 HydrophobicContact CB-CB 3.8Å; A323-V382 HydrophobicContact CB-CG1 3.5Å; A323-V382 VanDerWaalsContact CB-CG1 3.5Å; A323-Q383 HydrophobicContact CB-CG 4.07Å; A323-F386 HydrophobicContact CB-CE2 3.86Å; A323-F386 HydrophobicContact CB-CZ 4.34Å
324	C	95.9	Very high	93.7	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-64	-43.4	175	-67.9	0	0	0	0	112	P283 Y320 F321 E322 A326 L327 R328 F333	P283-C324 HydrophobicContact CB-CB 3.8Å; P283-C324 HydrophobicContact CG-CB 4.09Å; Y320-C324 VanDerWaalsContact CE1-SG 3.59Å; Y320-C324 WeakPolarHBondContact CE2-SG 3.41Å; Y320-C324 PolarHBondContact O-N 3.09Å; Y320-C324 PolarHBondContact O-SG 3.45Å; F321-C324 PolarHBondContact O-N 3.07Å; E322-C324 VanDerWaalsContact C-N 3.29Å; E322-C324 PolarHBondContact O-N 2.7Å; C324-A326 PolarHBondContact O-N 3.12Å; C324-L327 CarbonylContact O-C 3.5Å; C324-L327 PolarHBondContact O-N 3.18Å; C324-L327 VanDerWaalsContact O-N 3.12Å; C324-R328 WeakPolarHBondContact O-CA 3.47Å; C324-R328 WeakPolarHBondContact O-CB 3.21Å; C324-R328 PolarHBondContact O-N 3.14Å; C324-F333 HydrophobicContact CB-CB 4.21Å; C324-F333 HydrophobicContact CB-CD1 4.43Å; C324-F333 HydrophobicContact CB-CD2 3.54Å; C324-F333 HydrophobicContact CB-CE2 3.91Å; C324-F333 HydrophobicContact CB-CG 3.82Å; C324-F333 HydrophobicContact CB-CZ 4.48Å; C324-F333 WeakPolarHBondContact O-CE2 3.4Å; C324-F333 WeakPolarHBondContact SG-CD1 3.28Å; C324-F333 WeakPolarHBondContact SG-CG 3.32Å
325	N	91.5	Very high	94.1	Very high	33 Å²	33	36.6 Å²	36.6	18%	0.176	19%	0.19	C	C	.	.	H	α-helix	trans	-57.2	-38.5	177.2	-95.3	-36.5	0	0	0	112.3	P283 F321 E322 L327 R328	P283-N325 HydrophobicContact CB-CB 4.35Å; P283-N325 VanDerWaalsContact CB-OD1 3.29Å; P283-N325 WeakPolarHBondContact CB-OD1 3.46Å; P283-N325 WeakPolarHBondContact CD-OD1 3.11Å; P283-N325 HydrophobicContact CG-CB 4.36Å; P283-N325 VanDerWaalsContact CG-OD1 3.25Å; P283-N325 WeakPolarHBondContact CG-OD1 3.49Å; F321-N325 WeakPolarHBondContact CE1-ND2 3.48Å; F321-N325 PolarHBondContact O-N 2.78Å; E322-N325 WeakPolarHBondContact O-CB 3.45Å; E322-N325 PolarHBondContact O-N 2.74Å; N325-L327 VanDerWaalsContact C-N 3.3Å; N325-L327 PolarHBondContact O-N 3.13Å; N325-R328 PolarHBondContact OD1-NH1 2.96Å
326	A	90.9	Very high	94.3	Very high	35 Å²	35	34.4 Å²	34.4	29%	0.289	17%	0.172	S	C	.	.	H	α-helix	trans	-70.7	-23.9	-179.9	0	0	0	0	0	114.1	F261 E322 A323 C324	F261-A326 HydrophobicContact CE1-CB 4.36Å; E322-A326 PolarHBondContact O-N 3.08Å; A323-A326 PolarHBondContact O-N 3.23Å; C324-A326 PolarHBondContact O-N 3.12Å
327	L	92.4	Very high	94.4	Very high	11 Å²	11	36.7 Å²	36.7	6%	0.058	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-125.9	18.4	-172.9	-61.8	175.4	0	0	0	113.2	A323 C324 N325 E329 D330 F331 F333 Q383 F386	A323-L327 PolarHBondContact O-N 3.1Å; C324-L327 CarbonylContact O-C 3.5Å; C324-L327 PolarHBondContact O-N 3.18Å; C324-L327 VanDerWaalsContact O-N 3.12Å; N325-L327 VanDerWaalsContact C-N 3.3Å; N325-L327 PolarHBondContact O-N 3.13Å; L327-E329 PolarHBondContact O-N 3.1Å; L327-D330 WeakPolarHBondContact CD2-OD2 3.35Å; L327-D330 WeakPolarHBondContact O-CB 3.36Å; L327-D330 PolarHBondContact O-N 3.37Å; L327-F331 HydrophobicContact CB-CD2 3.88Å; L327-F331 HydrophobicContact CB-CE2 4.23Å; L327-F331 HydrophobicContact CD1-CD2 4.45Å; L327-F331 HydrophobicContact CD1-CE2 4.15Å; L327-F331 PolarHBondContact O-N 3.33Å; L327-F333 HydrophobicContact CB-CE2 4.2Å; L327-F333 HydrophobicContact CB-CZ 4.02Å; L327-F333 WeakPolarHBondContact O-CE2 3.42Å; L327-Q383 HydrophobicContact CD1-CB 3.72Å; L327-Q383 HydrophobicContact CD1-CG 3.7Å; L327-Q383 HydrophobicContact CG-CG 4.27Å; L327-F386 HydrophobicContact CD1-CD2 3.92Å
328	R	91.3	Very high	94.5	Very high	41 Å²	41	37 Å²	37	16%	0.155	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-19.5	-175.7	64.3	-173.5	-69.1	163.7	-2.6	114.4	E278 Q279 G281 P283 C324 N325	E278-R328 PolarHBondContact O-NH2 3.19Å; Q279-R328 VanDerWaalsContact O-CZ 3.23Å; Q279-R328 PolarHBondContact O-NH1 3.14Å; Q279-R328 PolarHBondContact O-NH2 2.97Å; G281-R328 VanDerWaalsContact O-CZ 3.29Å; G281-R328 PolarHBondContact O-NH1 3.13Å; G281-R328 PolarHBondContact O-NH2 2.83Å; P283-R328 HydrophobicContact CB-CB 4.26Å; C324-R328 WeakPolarHBondContact O-CA 3.47Å; C324-R328 WeakPolarHBondContact O-CB 3.21Å; C324-R328 PolarHBondContact O-N 3.14Å; N325-R328 PolarHBondContact OD1-NH1 2.96Å
329	E	88.4	Confident	94.6	Very high	63 Å²	63	34.6 Å²	34.6	29%	0.294	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.2	-25	171	-61.1	-164.3	167.8	0	0	111.6	N264 F275 L327 K404	N264-E329 PolarHBondContact ND2-OE2 2.85Å; F275-E329 WeakPolarHBondContact CZ-OE1 3.37Å; L327-E329 PolarHBondContact O-N 3.1Å; E329-K404 WeakPolarHBondContact O-CE 3.5Å; E329-K404 PolarHBondContact O-NZ 2.66Å
330	D	90.2	Very high	94.7	Very high	62 Å²	62	39.2 Å²	39.2	33%	0.332	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.2	-36	-177.6	-67.4	-33.8	0	0	0	112.3	L327 R405	L327-D330 WeakPolarHBondContact CD2-OD2 3.35Å; L327-D330 WeakPolarHBondContact O-CB 3.36Å; L327-D330 PolarHBondContact O-N 3.37Å; D330-R405 VanDerWaalsContact O-CZ 3.25Å; D330-R405 PolarHBondContact O-NH1 2.83Å; D330-R405 PolarHBondContact O-NH2 2.91Å
331	F	93.7	Very high	94.7	Very high	17 Å²	17	39.2 Å²	39.2	8%	0.075	20%	0.204	C	C	.	.			trans	-135.2	156.3	-173.7	-52.6	-86.5	0	0	0	112.9	I305 L327 F333 F386 K387 S390 R405	I305-F331 HydrophobicContact CD1-CB 3.99Å; I305-F331 HydrophobicContact CD1-CD1 3.9Å; I305-F331 HydrophobicContact CD1-CG 4.05Å; L327-F331 HydrophobicContact CB-CD2 3.88Å; L327-F331 HydrophobicContact CB-CE2 4.23Å; L327-F331 HydrophobicContact CD1-CD2 4.45Å; L327-F331 HydrophobicContact CD1-CE2 4.15Å; L327-F331 PolarHBondContact O-N 3.33Å; F331-F333 HydrophobicContact CB-CD1 4.43Å; F331-F333 HydrophobicContact CB-CD2 4.43Å; F331-F333 HydrophobicContact CB-CE1 3.82Å; F331-F333 HydrophobicContact CB-CE2 3.82Å; F331-F333 HydrophobicContact CB-CZ 3.5Å; F331-F333 AromaticContact CD2-CZ 3.85Å; F331-F333 HydrophobicContact CD2-CZ 3.85Å; F331-F333 HydrophobicContact CG-CE1 4.37Å; F331-F333 HydrophobicContact CG-CZ 4.01Å; F331-F386 HydrophobicContact CE2-CB 4.35Å; F331-K387 HydrophobicContact CE2-CG 4.43Å; F331-K387 HydrophobicContact CZ-CG 4.32Å; F331-S390 VanDerWaalsContact CE1-CB 3.41Å; F331-S390 WeakPolarHBondContact CE1-OG 3.48Å; F331-R405 VanDerWaalsContact CD1-CZ 3.47Å; F331-R405 VanDerWaalsContact CE1-NH1 3.25Å
332	T	94	Very high	94.8	Very high	83 Å²	83	37 Å²	37	51%	0.509	20%	0.197	S	C	.	.			trans	-98.8	111.8	172.5	-67.2	0	0	0	0	110	R334	T332-R334 VanDerWaalsContact CG2-CZ 3.42Å; T332-R334 VanDerWaalsContact CG2-NH2 3.27Å
333	F	97.8	Very high	95	Very high	1 Å²	1	40.5 Å²	40.5	0%	0.004	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	147.5	-175.2	-60.9	-70.7	0	0	0	113.5	P283 S284 K285 I305 Y320 C324 L327 F331 F386	P283-F333 WeakPolarHBondContact O-CB 3.38Å; S284-F333 WeakPolarHBondContact CA-O 3.37Å; K285-F333 PolarHBondContact N-O 3.12Å; K285-F333 VanDerWaalsContact N-O 3.09Å; I305-F333 HydrophobicContact CB-CD1 4.03Å; I305-F333 HydrophobicContact CB-CE1 4.47Å; I305-F333 HydrophobicContact CD1-CD1 4.07Å; I305-F333 HydrophobicContact CD1-CE1 3.69Å; I305-F333 HydrophobicContact CG2-CD1 3.78Å; I305-F333 HydrophobicContact CG2-CE1 4.1Å; Y320-F333 WeakPolarHBondContact OH-CB 3.31Å; C324-F333 HydrophobicContact CB-CB 4.21Å; C324-F333 HydrophobicContact CB-CD1 4.43Å; C324-F333 HydrophobicContact CB-CD2 3.54Å; C324-F333 HydrophobicContact CB-CE2 3.91Å; C324-F333 HydrophobicContact CB-CG 3.82Å; C324-F333 HydrophobicContact CB-CZ 4.48Å; C324-F333 WeakPolarHBondContact O-CE2 3.4Å; C324-F333 WeakPolarHBondContact SG-CD1 3.28Å; C324-F333 WeakPolarHBondContact SG-CG 3.32Å; L327-F333 HydrophobicContact CB-CE2 4.2Å; L327-F333 HydrophobicContact CB-CZ 4.02Å; L327-F333 WeakPolarHBondContact O-CE2 3.42Å; F331-F333 HydrophobicContact CB-CD1 4.43Å; F331-F333 HydrophobicContact CB-CD2 4.43Å; F331-F333 HydrophobicContact CB-CE1 3.82Å; F331-F333 HydrophobicContact CB-CE2 3.82Å; F331-F333 HydrophobicContact CB-CZ 3.5Å; F331-F333 AromaticContact CD2-CZ 3.85Å; F331-F333 HydrophobicContact CD2-CZ 3.85Å; F331-F333 HydrophobicContact CG-CE1 4.37Å; F331-F333 HydrophobicContact CG-CZ 4.01Å; F333-F386 HydrophobicContact CD1-CE2 4.21Å; F333-F386 HydrophobicContact CD1-CZ 4.22Å; F333-F386 HydrophobicContact CE1-CD1 4.19Å; F333-F386 AromaticContact CE1-CD2 3.41Å; F333-F386 HydrophobicContact CE1-CD2 3.41Å; F333-F386 VanDerWaalsContact CE1-CD2 3.41Å; F333-F386 HydrophobicContact CE1-CE1 4.09Å; F333-F386 AromaticContact CE1-CE2 3.32Å; F333-F386 HydrophobicContact CE1-CE2 3.32Å; F333-F386 AromaticContact CE1-CG 3.88Å; F333-F386 HydrophobicContact CE1-CG 3.88Å; F333-F386 AromaticContact CE1-CZ 3.68Å; F333-F386 HydrophobicContact CE1-CZ 3.68Å; F333-F386 AromaticContact CZ-CD2 3.54Å; F333-F386 HydrophobicContact CZ-CD2 3.54Å; F333-F386 AromaticContact CZ-CE2 3.58Å; F333-F386 HydrophobicContact CZ-CE2 3.58Å; F333-F386 HydrophobicContact CZ-CG 4.33Å; F333-F386 HydrophobicContact CZ-CZ 4.37Å
334	R	97.9	Very high	95.1	Very high	50 Å²	50	43.5 Å²	43.5	19%	0.189	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	152.6	176.4	-60.3	-68.4	-176.8	-90	-6.2	110.8	S284 K285 I287 L296 I305 V306 G307 Y320 T332	S284-R334 VanDerWaalsContact OG-CA 3.28Å; S284-R334 WeakPolarHBondContact OG-CA 3.34Å; S284-R334 PolarHBondContact OG-N 3.29Å; S284-R334 PolarHBondContact OG-O 3.5Å; K285-R334 VanDerWaalsContact O-CA 3.23Å; K285-R334 WeakPolarHBondContact O-CA 3.47Å; K285-R334 WeakPolarHBondContact O-CD 3.44Å; I287-R334 HydrophobicContact CD1-CB 3.6Å; I287-R334 HydrophobicContact CD1-CG 3.6Å; I287-R334 HydrophobicContact CG1-CB 4.07Å; I287-R334 HydrophobicContact CG1-CG 4.22Å; L296-R334 HydrophobicContact CD1-CG 4.4Å; I305-R334 PolarHBondContact O-N 2.77Å; V306-R334 CarbonylContact C-O 3.5Å; V306-R334 VanDerWaalsContact CA-O 3.25Å; V306-R334 WeakPolarHBondContact CA-O 3.47Å; V306-R334 HydrophobicContact CG1-CB 4.49Å; V306-R334 HydrophobicContact CG2-CB 4.31Å; G307-R334 PolarHBondContact N-O 2.6Å; Y320-R334 PolarHBondContact OH-N 2.88Å; Y320-R334 PolarHBondContact OH-O 2.57Å; T332-R334 VanDerWaalsContact CG2-CZ 3.42Å; T332-R334 VanDerWaalsContact CG2-NH2 3.27Å
335	H	98.4	Very high	95.1	Very high	7 Å²	7	43.9 Å²	43.9	3%	0.032	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	161.7	171.3	65.1	-86.2	0	0	0	111.3	S284 K285 Q286 I287 G307 F309 Y317 Y320 F337	S284-H335 PolarHBondContact O-CE1 3.31Å; S284-H335 PolarHBondContact O-ND1 3.43Å; S284-H335 PolarHBondContact OG-N 2.81Å; S284-H335 PolarHBondContact OG-ND1 2.99Å; S284-H335 VanDerWaalsContact OG-ND1 3.07Å; K285-H335 PolarHBondContact O-N 2.94Å; Q286-H335 CarbonylContact C-O 3.5Å; Q286-H335 WeakPolarHBondContact CA-O 3.31Å; Q286-H335 WeakPolarHBondContact CB-NE2 3.34Å; Q286-H335 PolarHBondContact N-CE1 3.12Å; I287-H335 PolarHBondContact N-O 3.1Å; G307-H335 CarbonylContact O-C 3.6Å; G307-H335 WeakPolarHBondContact O-CA 3.49Å; F309-H335 HydrophobicContact CD2-CB 4.45Å; F309-H335 HydrophobicContact CE2-CB 4.47Å; Y317-H335 HydrophobicContact CE2-CB 4.2Å; Y317-H335 AromaticContact CE2-CD2 3.78Å; Y317-H335 AromaticContact CE2-CG 3.76Å; Y320-H335 HydrophobicContact CE1-CB 4.09Å; H335-F337 AromaticContact CD2-CZ 3.67Å; H335-F337 AromaticContact NE2-CZ 4Å
336	S	98.1	Very high	95.4	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	144.3	174.9	-165.1	0	0	0	0	111.7	I287 G307 I308 F309 S338	I287-S336 VanDerWaalsContact O-CB 3.25Å; I287-S336 WeakPolarHBondContact O-CB 3.24Å; I287-S336 PolarHBondContact O-OG 2.87Å; G307-S336 PolarHBondContact O-N 3.32Å; I308-S336 WeakPolarHBondContact CA-O 3.45Å; F309-S336 PolarHBondContact N-O 2.98Å; F309-S336 VanDerWaalsContact N-O 3.08Å; S336-S338 WeakPolarHBondContact OG-CB 3.5Å; S336-S338 PolarHBondContact OG-N 2.96Å; S336-S338 VanDerWaalsContact OG-N 3.09Å
337	F	97.4	Very high	95.6	Very high	53 Å²	53	49.7 Å²	49.7	23%	0.232	25%	0.248	C	C	.	.			trans	-104	4.6	166.6	-45.4	-56.1	0	0	0	111.7	Q286 F309 S311 E312 Y317 H335	Q286-F337 VanDerWaalsContact NE2-CE2 3.32Å; F309-F337 HydrophobicContact CB-CD1 3.92Å; F309-F337 HydrophobicContact CB-CE1 3.86Å; F309-F337 WeakPolarHBondContact O-CA 3.16Å; S311-F337 WeakPolarHBondContact O-CE1 3.37Å; E312-F337 HydrophobicContact CB-CZ 4.4Å; E312-F337 HydrophobicContact CG-CE2 3.72Å; E312-F337 HydrophobicContact CG-CZ 3.53Å; Y317-F337 HydrophobicContact CD2-CE1 4.39Å; Y317-F337 HydrophobicContact CE2-CZ 4.36Å; H335-F337 AromaticContact CD2-CZ 3.67Å; H335-F337 AromaticContact NE2-CZ 4Å
338	S	97.4	Very high	95.8	Very high	27 Å²	27	52.9 Å²	52.9	19%	0.189	27%	0.271	C	S	.	.			trans	-82	125.5	-175.3	175.8	0	0	0	0	111.7	Q288 S336 E340 V341 A342	Q288-S338 PolarHBondContact O-OG 2.94Å; S336-S338 WeakPolarHBondContact OG-CB 3.5Å; S336-S338 PolarHBondContact OG-N 2.96Å; S336-S338 VanDerWaalsContact OG-N 3.09Å; S338-E340 PolarHBondContact O-N 3.34Å; S338-E340 PolarHBondContact OG-N 3.35Å; S338-V341 PolarHBondContact O-N 3.28Å; S338-A342 PolarHBondContact O-N 2.96Å
339	S	95.5	Very high	96	Very high	75 Å²	75	53.8 Å²	53.8	52%	0.524	29%	0.287	S	S	.	.	H	α-helix	trans	-63.4	-25	174.5	74	0	0	0	0	113.2	K343	S339-K343 WeakPolarHBondContact O-CB 3.25Å; S339-K343 VanDerWaalsContact O-CG 3.23Å; S339-K343 WeakPolarHBondContact O-CG 3.2Å; S339-K343 PolarHBondContact O-N 2.63Å
340	E	97.1	Very high	96.4	Very high	123 Å²	123	51.2 Å²	51.2	58%	0.575	28%	0.277	S	S	*	.	H	α-helix	trans	-71.6	-43.4	175.7	-63.2	-176.4	171.2	0	0	111.4	S338 A342 K343 L344	S338-E340 PolarHBondContact O-N 3.34Å; S338-E340 PolarHBondContact OG-N 3.35Å; E340-A342 VanDerWaalsContact C-N 3.35Å; E340-K343 PolarHBondContact O-N 2.63Å; E340-L344 PolarHBondContact O-N 2.89Å
341	V	97.5	Very high	96.8	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-63.4	-44.1	174.3	177.1	0	0	0	0	110	I287 V293 I308 S338 K343 L344 L345	I287-V341 HydrophobicContact CG2-CG2 4.37Å; V293-V341 HydrophobicContact CG2-CG1 3.91Å; I308-V341 HydrophobicContact CD1-CG1 3.85Å; S338-V341 PolarHBondContact O-N 3.28Å; V341-K343 VanDerWaalsContact C-N 3.34Å; V341-K343 PolarHBondContact O-N 3.49Å; V341-L344 WeakPolarHBondContact O-CB 3.21Å; V341-L344 PolarHBondContact O-N 3.28Å; V341-L345 HydrophobicContact CG1-CD1 4.24Å; V341-L345 HydrophobicContact CG1-CG 4.48Å; V341-L345 WeakPolarHBondContact O-CG 3.22Å; V341-L345 PolarHBondContact O-N 2.89Å
342	A	97.4	Very high	97	Very high	14 Å²	14	49 Å²	49	12%	0.116	27%	0.265	C	S	.	.	H	α-helix	trans	-57.3	-44.8	175.5	0	0	0	0	0	112.2	I308 S338 E340 L345 K346 A347	I308-A342 HydrophobicContact CG2-CB 3.68Å; S338-A342 PolarHBondContact O-N 2.96Å; E340-A342 VanDerWaalsContact C-N 3.35Å; A342-L345 CarbonylContact O-C 3.49Å; A342-L345 PolarHBondContact O-N 3.4Å; A342-K346 PolarHBondContact O-N 3.02Å; A342-A347 PolarHBondContact O-N 2.83Å
343	K	97.3	Very high	97.3	Very high	156 Å²	156	45 Å²	45	68%	0.678	24%	0.241	S	C	*	.	H	α-helix	trans	-62.4	-44.8	175.6	-75.7	168.8	-173	171.4	0	112.4	S339 E340 V341 L345 K346	S339-K343 WeakPolarHBondContact O-CB 3.25Å; S339-K343 VanDerWaalsContact O-CG 3.23Å; S339-K343 WeakPolarHBondContact O-CG 3.2Å; S339-K343 PolarHBondContact O-N 2.63Å; E340-K343 PolarHBondContact O-N 2.63Å; V341-K343 VanDerWaalsContact C-N 3.34Å; V341-K343 PolarHBondContact O-N 3.49Å; K343-L345 VanDerWaalsContact C-N 3.32Å; K343-L345 PolarHBondContact O-N 3.1Å; K343-K346 PolarHBondContact O-N 3.37Å; K343-K346 VanDerWaalsContact O-N 3.1Å
344	L	96.4	Very high	97.3	Very high	62 Å²	62	45 Å²	45	33%	0.325	24%	0.241	S	C	.	.	H	α-helix	trans	-56.6	-47.2	176.7	175.9	70.8	0	0	0	111	A290 V293 Q294 E340 V341 K346	A290-L344 HydrophobicContact CB-CB 4.47Å; A290-L344 HydrophobicContact CB-CD2 4.01Å; A290-L344 WeakPolarHBondContact O-CD2 3.38Å; V293-L344 HydrophobicContact CB-CD2 3.93Å; V293-L344 HydrophobicContact CG1-CD2 4.16Å; Q294-L344 HydrophobicContact CG-CD1 4.22Å; Q294-L344 HydrophobicContact CG-CD2 3.82Å; E340-L344 PolarHBondContact O-N 2.89Å; V341-L344 WeakPolarHBondContact O-CB 3.21Å; V341-L344 PolarHBondContact O-N 3.28Å; L344-K346 PolarHBondContact O-N 3.16Å
345	L	96.5	Very high	97.2	Very high	9 Å²	9	43.5 Å²	43.5	5%	0.047	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.8	-0.3	-179.6	-56.2	-174.4	0	0	0	113.8	V293 V306 I308 V341 A342 K343 A347 V353 I355 K370	V293-L345 HydrophobicContact CG1-CD2 3.63Å; V293-L345 HydrophobicContact CG1-CG 4.49Å; V306-L345 HydrophobicContact CB-CD1 3.75Å; V306-L345 HydrophobicContact CG1-CD1 3.92Å; V306-L345 HydrophobicContact CG2-CD1 4.09Å; I308-L345 HydrophobicContact CD1-CD1 4.01Å; I308-L345 HydrophobicContact CG1-CD1 4.33Å; V341-L345 HydrophobicContact CG1-CD1 4.24Å; V341-L345 HydrophobicContact CG1-CG 4.48Å; V341-L345 WeakPolarHBondContact O-CG 3.22Å; V341-L345 PolarHBondContact O-N 2.89Å; A342-L345 CarbonylContact O-C 3.49Å; A342-L345 PolarHBondContact O-N 3.4Å; K343-L345 VanDerWaalsContact C-N 3.32Å; K343-L345 PolarHBondContact O-N 3.1Å; L345-A347 HydrophobicContact CB-CB 4.29Å; L345-A347 PolarHBondContact O-N 3.32Å; L345-V353 HydrophobicContact CB-CG2 4.25Å; L345-V353 HydrophobicContact CD1-CB 4.29Å; L345-V353 HydrophobicContact CD1-CG2 4.28Å; L345-I355 HydrophobicContact CD2-CD1 3.34Å; L345-I355 HydrophobicContact CG-CD1 4.46Å; L345-K370 WeakPolarHBondContact O-CE 3.4Å; L345-K370 PolarHBondContact O-NZ 2.66Å
346	K	97.1	Very high	97.1	Very high	178 Å²	178	43.9 Å²	43.9	77%	0.774	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.3	39.6	-174.9	-55.1	175.8	-178.9	176.2	0	111.7	A342 K343 L344 K370	A342-K346 PolarHBondContact O-N 3.02Å; K343-K346 PolarHBondContact O-N 3.37Å; K343-K346 VanDerWaalsContact O-N 3.1Å; L344-K346 PolarHBondContact O-N 3.16Å; K346-K370 VanDerWaalsContact C-NZ 3.33Å; K346-K370 PolarHBondContact O-NZ 3.05Å
347	A	96.8	Very high	96.9	Very high	11 Å²	11	43.9 Å²	43.9	9%	0.091	24%	0.238	C	C	.	.			trans	-118.4	159.9	-174.4	0	0	0	0	0	111.1	I308 A342 L345 Q351 V353	I308-A347 HydrophobicContact CG1-CB 4.19Å; A342-A347 PolarHBondContact O-N 2.83Å; L345-A347 HydrophobicContact CB-CB 4.29Å; L345-A347 PolarHBondContact O-N 3.32Å; A347-Q351 HydrophobicContact CB-CB 4.44Å; A347-V353 HydrophobicContact CB-CG2 3.58Å
348	S	95.9	Very high	96.8	Very high	79 Å²	79	46.6 Å²	46.6	55%	0.552	25%	0.252	S	S	*	.			trans	-108.4	163.7	173.1	-60.9	0	0	0	0	110.5	Q351	S348-Q351 VanDerWaalsContact O-CB 3.31Å; S348-Q351 WeakPolarHBondContact O-CB 3.46Å; S348-Q351 WeakPolarHBondContact O-CG 3.15Å; S348-Q351 PolarHBondContact O-N 3.2Å
349	A	95.9	Very high	96.6	Very high	60 Å²	60	47.2 Å²	47.2	50%	0.496	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.4	143.6	171.4	0	0	0	0	0	110.9	I308	I308-A349 CarbonylContact O-C 3.49Å; I308-A349 WeakPolarHBondContact O-CA 3.16Å
350	G	96.8	Very high	96.6	Very high	8 Å²	8	43.9 Å²	43.9	8%	0.082	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	82.1	12	-171.8	0	0	0	0	0	113.9	I308 V373	I308-G350 PolarHBondContact O-N 3.5Å; G350-V373 PolarHBondContact O-N 3.31Å
351	Q	98.2	Very high	96.4	Very high	33 Å²	33	41.5 Å²	41.5	15%	0.154	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	140.3	178.9	-60.4	-166.5	-63.5	0	0	112.9	I308 A347 S348 L371 T372	I308-Q351 PolarHBondContact N-O 3.24Å; I308-Q351 PolarHBondContact O-N 3.29Å; A347-Q351 HydrophobicContact CB-CB 4.44Å; S348-Q351 VanDerWaalsContact O-CB 3.31Å; S348-Q351 WeakPolarHBondContact O-CB 3.46Å; S348-Q351 WeakPolarHBondContact O-CG 3.15Å; S348-Q351 PolarHBondContact O-N 3.2Å; Q351-L371 CarbonylContact C-O 3.53Å; Q351-L371 VanDerWaalsContact CA-O 3.27Å; Q351-L371 WeakPolarHBondContact CA-O 3.39Å; Q351-T372 PolarHBondContact NE2-OG1 3.07Å
352	I	98.6	Very high	96.2	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	135.3	168.3	-59.3	167.4	0	0	0	107.7	I305 F309 Y320 K370 L371 V373 V382 F385 F386	I305-I352 HydrophobicContact CG2-CG2 4.21Å; F309-I352 HydrophobicContact CZ-CG1 4.42Å; Y320-I352 HydrophobicContact CD2-CD1 3.57Å; Y320-I352 HydrophobicContact CD2-CG1 3.72Å; Y320-I352 HydrophobicContact CE2-CD1 4.36Å; Y320-I352 HydrophobicContact CE2-CG1 4.27Å; Y320-I352 HydrophobicContact CE2-CG2 4.38Å; Y320-I352 HydrophobicContact CG-CD1 4.41Å; I352-K370 CarbonylContact O-C 3.56Å; I352-K370 VanDerWaalsContact O-CA 3.24Å; I352-K370 WeakPolarHBondContact O-CA 3.43Å; I352-L371 HydrophobicContact CB-CB 4.44Å; I352-L371 HydrophobicContact CD1-CD2 4.38Å; I352-L371 PolarHBondContact N-O 3.07Å; I352-L371 PolarHBondContact O-N 3.06Å; I352-V373 HydrophobicContact CD1-CG2 3.5Å; I352-V373 VanDerWaalsContact CD1-CG2 3.5Å; I352-V373 HydrophobicContact CG1-CG2 3.89Å; I352-V382 HydrophobicContact CD1-CB 4.46Å; I352-V382 HydrophobicContact CD1-CG1 3.48Å; I352-V382 VanDerWaalsContact CD1-CG1 3.48Å; I352-V382 HydrophobicContact CD1-CG2 4.18Å; I352-F385 HydrophobicContact CB-CE1 4.31Å; I352-F385 HydrophobicContact CG2-CD1 4.22Å; I352-F385 HydrophobicContact CG2-CE1 3.85Å; I352-F386 HydrophobicContact CD1-CE1 4.23Å; I352-F386 HydrophobicContact CG2-CE1 3.8Å
353	V	98.5	Very high	96.1	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	131.4	177.8	-165.4	0	0	0	0	109.6	V306 I308 L345 A347 I355 N369 K370	V306-V353 PolarHBondContact N-O 3.05Å; V306-V353 PolarHBondContact O-N 3.42Å; I308-V353 HydrophobicContact CG1-CG2 4.5Å; L345-V353 HydrophobicContact CB-CG2 4.25Å; L345-V353 HydrophobicContact CD1-CB 4.29Å; L345-V353 HydrophobicContact CD1-CG2 4.28Å; A347-V353 HydrophobicContact CB-CG2 3.58Å; V353-I355 HydrophobicContact CG1-CD1 3.91Å; V353-I355 HydrophobicContact CG1-CG1 3.74Å; V353-N369 CarbonylContact C-O 3.58Å; V353-N369 WeakPolarHBondContact CA-O 2.95Å; V353-K370 HydrophobicContact CG1-CG 4.11Å; V353-K370 HydrophobicContact CG2-CG 4.22Å
354	I	98.3	Very high	96	Very high	1 Å²	1	46.4 Å²	46.4	1%	0.005	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	125.5	170.9	-59.6	176.6	0	0	0	108.2	A303 V304 I305 S368 N369 F385 F386 H389	A303-I354 HydrophobicContact CB-CG2 3.96Å; V304-I354 WeakPolarHBondContact O-CA 3.25Å; I305-I354 HydrophobicContact CB-CG1 4.44Å; I305-I354 HydrophobicContact CG1-CD1 4.48Å; I305-I354 HydrophobicContact CG1-CG1 4.08Å; I305-I354 HydrophobicContact CG1-CG2 4.42Å; I305-I354 HydrophobicContact CG2-CG1 4.09Å; I354-S368 CarbonylContact O-C 3.53Å; I354-S368 WeakPolarHBondContact O-CA 3.39Å; I354-N369 PolarHBondContact N-O 3.1Å; I354-N369 PolarHBondContact O-N 3.13Å; I354-F385 HydrophobicContact CD1-CD1 3.74Å; I354-F385 HydrophobicContact CD1-CE1 3.46Å; I354-F385 VanDerWaalsContact CD1-CE1 3.46Å; I354-F385 HydrophobicContact CD1-CZ 4.07Å; I354-F385 HydrophobicContact CG1-CD1 4.42Å; I354-F385 HydrophobicContact CG1-CE1 3.7Å; I354-F385 HydrophobicContact CG1-CZ 4.24Å; I354-F386 HydrophobicContact CD1-CD1 4.16Å; I354-H389 HydrophobicContact CD1-CB 3.95Å; I354-H389 HydrophobicContact CG2-CB 4.45Å; I354-H389 WeakPolarHBondContact CG2-O 3.35Å
355	I	96.8	Very high	95.9	Very high	18 Å²	18	45.6 Å²	45.6	9%	0.092	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	132.5	-177.2	-54.2	-178.2	0	0	0	108.3	I297 V304 L345 V353	I297-I355 HydrophobicContact CD1-CB 4.49Å; I297-I355 HydrophobicContact CD1-CD1 3.99Å; I297-I355 HydrophobicContact CD1-CG2 3.98Å; I297-I355 HydrophobicContact CG1-CG2 4.03Å; I297-I355 HydrophobicContact CG2-CG2 4.49Å; V304-I355 PolarHBondContact N-O 3.01Å; V304-I355 PolarHBondContact O-N 2.92Å; L345-I355 HydrophobicContact CD2-CD1 3.34Å; L345-I355 HydrophobicContact CG-CD1 4.46Å; V353-I355 HydrophobicContact CG1-CD1 3.91Å; V353-I355 HydrophobicContact CG1-CG1 3.74Å
356	Q	95.7	Very high	95.7	Very high	15 Å²	15	49 Å²	49	7%	0.07	26%	0.255	C	S	.	.			trans	-81.5	144.3	173.8	-63.5	-64.7	-14.7	0	0	109.6	F360 H389 S390 P392	Q356-F360 HydrophobicContact CB-CB 4.37Å; Q356-H389 PolarHBondContact NE2-O 3.25Å; Q356-H389 VanDerWaalsContact NE2-O 3.07Å; Q356-S390 PolarHBondContact NE2-O 2.86Å; Q356-S390 VanDerWaalsContact NE2-O 3.14Å; Q356-P392 HydrophobicContact CB-CB 4.41Å; Q356-P392 HydrophobicContact CG-CB 3.88Å
357	P	94.8	Very high	95.5	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	25%	0.247	C	C	.	.			trans	-49.1	146.2	171.6	-29.1	33.4	0	0	0	112.2	I297 G300 D302 K359 F360	I297-P357 CarbonylContact O-C 3.53Å; I297-P357 WeakPolarHBondContact O-CA 3.39Å; G300-P357 WeakPolarHBondContact O-CB 3.49Å; D302-P357 WeakPolarHBondContact O-CD 3.35Å; D302-P357 WeakPolarHBondContact O-CG 3.45Å; P357-K359 HydrophobicContact CB-CG 4.27Å; P357-K359 PolarHBondContact O-N 2.79Å; P357-F360 HydrophobicContact CB-CD2 3.97Å; P357-F360 HydrophobicContact CB-CE2 4.37Å; P357-F360 HydrophobicContact CG-CD2 4.04Å; P357-F360 HydrophobicContact CG-CE2 4.3Å; P357-F360 PolarHBondContact O-N 3.19Å
358	E	93.8	Very high	95.4	Very high	110 Å²	110	45.4 Å²	45.4	51%	0.514	25%	0.252	S	S	.	.	G	3₁₀ helix	trans	-53.7	-36.3	-172.2	-97	170.7	-158.4	0	0	113.3	I297 F360 N361	I297-E358 HydrophobicContact CG2-CB 4.45Å; I297-E358 HydrophobicContact CG2-CG 3.77Å; I297-E358 PolarHBondContact O-N 3.01Å; E358-F360 PolarHBondContact O-N 2.71Å; E358-N361 WeakPolarHBondContact O-CB 3.38Å; E358-N361 PolarHBondContact O-N 3.08Å; E358-N361 VanDerWaalsContact O-N 3.11Å
359	K	93.4	Very high	95.5	Very high	40 Å²	40	43.3 Å²	43.3	17%	0.174	24%	0.235	C	C	.	.	G	3₁₀ helix	trans	-63.2	-18.7	176.5	68.6	-171.8	-179	-160.8	0	114	G300 D301 P357 F420 Q429	G300-K359 WeakPolarHBondContact O-CE 3.1Å; G300-K359 PolarHBondContact O-NZ 3.28Å; D301-K359 IonicContact OD1-NZ 3.65Å; D301-K359 PolarHBondContact OD1-NZ 3.24Å; P357-K359 HydrophobicContact CB-CG 4.27Å; P357-K359 PolarHBondContact O-N 2.79Å; K359-F420 HydrophobicContact CB-CD1 3.85Å; K359-F420 HydrophobicContact CB-CE1 3.95Å; K359-F420 HydrophobicContact CD-CB 4.19Å; K359-F420 HydrophobicContact CD-CD1 3.89Å; K359-F420 HydrophobicContact CD-CD2 4.33Å; K359-F420 HydrophobicContact CD-CE1 4.32Å; K359-F420 HydrophobicContact CD-CG 3.88Å; K359-F420 HydrophobicContact CG-CD1 4.24Å; K359-F420 HydrophobicContact CG-CE1 4.27Å; K359-Q429 PolarHBondContact O-NE2 3.5Å
360	F	95.3	Very high	95.6	Very high	5 Å²	5	44 Å²	44	2%	0.022	23%	0.226	C	C	.	.	G	3₁₀ helix	trans	-101.7	2.5	176.7	-57.3	-51.2	0	0	0	113.4	Q356 P357 E358 P392 H396 F420 R432	Q356-F360 HydrophobicContact CB-CB 4.37Å; P357-F360 HydrophobicContact CB-CD2 3.97Å; P357-F360 HydrophobicContact CB-CE2 4.37Å; P357-F360 HydrophobicContact CG-CD2 4.04Å; P357-F360 HydrophobicContact CG-CE2 4.3Å; P357-F360 PolarHBondContact O-N 3.19Å; E358-F360 PolarHBondContact O-N 2.71Å; F360-P392 HydrophobicContact CB-CB 3.96Å; F360-P392 HydrophobicContact CB-CG 4Å; F360-P392 HydrophobicContact CD2-CG 4.45Å; F360-P392 HydrophobicContact CG-CG 4.16Å; F360-H396 HydrophobicContact CE1-CB 3.8Å; F360-H396 HydrophobicContact CZ-CB 3.69Å; F360-F420 HydrophobicContact CD1-CZ 4.27Å; F360-F420 HydrophobicContact CE1-CE1 4.45Å; F360-F420 AromaticContact CE1-CE2 3.88Å; F360-F420 HydrophobicContact CE1-CE2 3.88Å; F360-F420 AromaticContact CE1-CZ 3.66Å; F360-F420 HydrophobicContact CE1-CZ 3.66Å; F360-F420 HydrophobicContact CZ-CE2 4.42Å; F360-R432 PolarHBondContact O-NH2 3.41Å
361	N	93.3	Very high	95.7	Very high	72 Å²	72	44.7 Å²	44.7	39%	0.385	23%	0.228	S	C	.	.			trans	-57.9	145.9	175.1	-76.1	-24.2	0	0	0	111.7	E358 R432	E358-N361 WeakPolarHBondContact O-CB 3.38Å; E358-N361 PolarHBondContact O-N 3.08Å; E358-N361 VanDerWaalsContact O-N 3.11Å; N361-R432 PolarHBondContact O-NH1 2.77Å
362	S	93.5	Very high	95.7	Very high	23 Å²	23	46.3 Å²	46.3	16%	0.161	24%	0.24	C	C	.	.			trans	-145.7	152	178.2	171.7	0	0	0	0	109.9	Y364 E365	S362-Y364 PolarHBondContact O-N 2.81Å; S362-Y364 WeakPolarHBondContact OG-CD2 3.41Å; S362-Y364 PolarHBondContact OG-N 3.32Å; S362-Y364 VanDerWaalsContact OG-N 3.1Å; S362-E365 WeakPolarHBondContact CB-OE1 3.45Å
363	K	94.6	Very high	95.6	Very high	172 Å²	172	46.8 Å²	46.8	75%	0.748	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.8	-10	172.4	68.6	-175.6	-178.7	-174.6	0	113.1
364	Y	96.1	Very high	95.3	Very high	79 Å²	79	53.1 Å²	53.1	31%	0.31	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.6	-4.9	-177.3	-56.4	-54.3	0	0	0	113.5	S362 L436 D437 K440	S362-Y364 PolarHBondContact O-N 2.81Å; S362-Y364 WeakPolarHBondContact OG-CD2 3.41Å; S362-Y364 PolarHBondContact OG-N 3.32Å; S362-Y364 VanDerWaalsContact OG-N 3.1Å; Y364-L436 HydrophobicContact CD2-CB 4.05Å; Y364-L436 HydrophobicContact CE2-CB 4.14Å; Y364-D437 VanDerWaalsContact CE2-OD1 3.32Å; Y364-D437 WeakPolarHBondContact CE2-OD1 3.32Å; Y364-D437 VanDerWaalsContact CZ-OD1 3.29Å; Y364-D437 PolarHBondContact OH-OD1 3.1Å; Y364-K440 HydrophobicContact CD1-CB 4.45Å; Y364-K440 HydrophobicContact CD1-CD 3.45Å; Y364-K440 VanDerWaalsContact CD1-CD 3.45Å; Y364-K440 HydrophobicContact CD2-CB 4.49Å; Y364-K440 HydrophobicContact CD2-CD 4.1Å; Y364-K440 HydrophobicContact CE1-CD 3.41Å; Y364-K440 VanDerWaalsContact CE1-CD 3.41Å; Y364-K440 HydrophobicContact CE2-CD 4.06Å; Y364-K440 HydrophobicContact CG-CB 4.12Å; Y364-K440 HydrophobicContact CG-CD 3.82Å
365	E	93.3	Very high	94.7	Very high	44 Å²	44	61.6 Å²	61.6	21%	0.206	31%	0.31	C	S	.	.	S	Bend	trans	-136.6	153.5	178.8	70.9	-166.1	126	0	0	110.5	S362 L393	S362-E365 WeakPolarHBondContact CB-OE1 3.45Å; E365-L393 WeakPolarHBondContact OE1-CB 3.26Å; E365-L393 PolarHBondContact OE1-N 2.94Å; E365-L393 PolarHBondContact OE2-N 2.93Å
366	P	93.9	Very high	94.5	Very high	80 Å²	80	65.8 Å²	65.8	52%	0.519	34%	0.341	S	S	.	.			trans	-65.3	143.7	176.4	28.4	-35	0	0	0	110.7	S368	P366-S368 PolarHBondContact O-N 2.93Å; P366-S368 VanDerWaalsContact O-N 3.12Å
367	S	91.4	Very high	94.5	Very high	86 Å²	86	65.5 Å²	65.5	60%	0.601	34%	0.341	S	S	*	.	S	Bend	trans	-67.4	-11.3	178.5	61.8	0	0	0	0	114.4
368	S	95.9	Very high	94.6	Very high	29 Å²	29	67.9 Å²	67.9	20%	0.203	36%	0.357	C	S	.	.			trans	-157.8	144.8	172.6	64.9	0	0	0	0	109.9	I354 P366	I354-S368 CarbonylContact O-C 3.53Å; I354-S368 WeakPolarHBondContact O-CA 3.39Å; P366-S368 PolarHBondContact O-N 2.93Å; P366-S368 VanDerWaalsContact O-N 3.12Å
369	N	97.8	Very high	94.7	Very high	34 Å²	34	64.1 Å²	64.1	18%	0.182	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	143	168.6	-66.1	-76.3	0	0	0	109.3	V353 I354 F385 H389	V353-N369 CarbonylContact C-O 3.58Å; V353-N369 WeakPolarHBondContact CA-O 2.95Å; I354-N369 PolarHBondContact N-O 3.1Å; I354-N369 PolarHBondContact O-N 3.13Å; N369-F385 HydrophobicContact CB-CE2 4.08Å; N369-F385 HydrophobicContact CB-CZ 3.96Å; N369-H389 HydrophobicContact CB-CB 3.96Å; N369-H389 PolarHBondContact ND2-ND1 3.23Å; N369-H389 PolarHBondContact OD1-CE1 3.33Å; N369-H389 PolarHBondContact OD1-ND1 3.09Å
370	K	98.3	Very high	94.8	Very high	74 Å²	74	65 Å²	65	32%	0.322	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	140	-177.2	-64.3	178.4	-179.4	169.6	0	111.5	L345 K346 I352 V353	L345-K370 WeakPolarHBondContact O-CE 3.4Å; L345-K370 PolarHBondContact O-NZ 2.66Å; K346-K370 VanDerWaalsContact C-NZ 3.33Å; K346-K370 PolarHBondContact O-NZ 3.05Å; I352-K370 CarbonylContact O-C 3.56Å; I352-K370 VanDerWaalsContact O-CA 3.24Å; I352-K370 WeakPolarHBondContact O-CA 3.43Å; V353-K370 HydrophobicContact CG1-CG 4.11Å; V353-K370 HydrophobicContact CG2-CG 4.22Å
371	L	98.4	Very high	95	Very high	24 Å²	24	68.6 Å²	68.6	13%	0.126	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	128.4	170.1	178.2	64.9	0	0	0	108.7	Q351 I352 V382 F385	Q351-L371 CarbonylContact C-O 3.53Å; Q351-L371 VanDerWaalsContact CA-O 3.27Å; Q351-L371 WeakPolarHBondContact CA-O 3.39Å; I352-L371 HydrophobicContact CB-CB 4.44Å; I352-L371 HydrophobicContact CD1-CD2 4.38Å; I352-L371 PolarHBondContact N-O 3.07Å; I352-L371 PolarHBondContact O-N 3.06Å; L371-V382 HydrophobicContact CD2-CB 4.44Å; L371-V382 HydrophobicContact CD2-CG2 3.97Å; L371-F385 HydrophobicContact CB-CD1 3.74Å; L371-F385 HydrophobicContact CB-CD2 3.9Å; L371-F385 HydrophobicContact CB-CE1 3.74Å; L371-F385 HydrophobicContact CB-CE2 3.92Å; L371-F385 HydrophobicContact CB-CG 3.83Å; L371-F385 HydrophobicContact CB-CZ 3.84Å; L371-F385 HydrophobicContact CD2-CB 3.8Å; L371-F385 HydrophobicContact CD2-CD1 4.07Å; L371-F385 HydrophobicContact CD2-CG 3.88Å; L371-F385 HydrophobicContact CG-CG 4.4Å
372	T	98.1	Very high	95.2	Very high	67 Å²	67	65.2 Å²	65.2	41%	0.411	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	117	169.7	-64.3	0	0	0	0	108.5	Q351 K374	Q351-T372 PolarHBondContact NE2-OG1 3.07Å; T372-K374 HydrophobicContact CG2-CG 4.32Å
373	V	96.9	Very high	95.4	Very high	9 Å²	9	66.1 Å²	66.1	6%	0.055	35%	0.353	C	S	.	.			trans	-85.4	122.9	177.2	-178	0	0	0	0	108.4	A316 I319 G350 I352 T377 V382	A316-V373 HydrophobicContact CB-CB 3.82Å; A316-V373 HydrophobicContact CB-CG1 3.75Å; I319-V373 HydrophobicContact CB-CG1 4.02Å; I319-V373 HydrophobicContact CD1-CG1 3.88Å; I319-V373 HydrophobicContact CG2-CG1 4.08Å; G350-V373 PolarHBondContact O-N 3.31Å; I352-V373 HydrophobicContact CD1-CG2 3.5Å; I352-V373 VanDerWaalsContact CD1-CG2 3.5Å; I352-V373 HydrophobicContact CG1-CG2 3.89Å; V373-T377 HydrophobicContact CG1-CG2 4.2Å; V373-V382 HydrophobicContact CG2-CG2 4.28Å
374	K	91.6	Very high	95.5	Very high	134 Å²	134	64.2 Å²	64.2	58%	0.583	35%	0.347	S	S	*	.			trans	-114.1	169.5	175.3	-58.3	177.4	-175.2	174.4	0	108.7	T372 S376 T377	T372-K374 HydrophobicContact CG2-CG 4.32Å; K374-S376 PolarHBondContact O-N 2.91Å; K374-S376 VanDerWaalsContact O-N 3.13Å; K374-T377 PolarHBondContact N-OG1 3.36Å; K374-T377 VanDerWaalsContact O-CB 3.24Å; K374-T377 WeakPolarHBondContact O-CB 3.4Å; K374-T377 PolarHBondContact O-N 2.72Å; K374-T377 PolarHBondContact O-OG1 3.11Å
375	E	86.6	Confident	95.6	Very high	179 Å²	179	61.4 Å²	61.4	84%	0.836	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.2	-29.4	173.7	-66	178.7	-179.3	0	0	113.1
376	S	92.3	Very high	95.8	Very high	105 Å²	105	59.3 Å²	59.3	73%	0.734	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.7	-6.8	176.6	67.4	0	0	0	0	114.3	K374 S378	K374-S376 PolarHBondContact O-N 2.91Å; K374-S376 VanDerWaalsContact O-N 3.13Å; S376-S378 PolarHBondContact O-N 2.76Å
377	T	96.3	Very high	95.8	Very high	10 Å²	10	61.1 Å²	61.1	6%	0.061	33%	0.326	C	S	.	.			trans	-73.7	124.7	-178.7	-64.2	0	0	0	0	109	V373 K374 E381 V382	V373-T377 HydrophobicContact CG1-CG2 4.2Å; K374-T377 PolarHBondContact N-OG1 3.36Å; K374-T377 VanDerWaalsContact O-CB 3.24Å; K374-T377 WeakPolarHBondContact O-CB 3.4Å; K374-T377 PolarHBondContact O-N 2.72Å; K374-T377 PolarHBondContact O-OG1 3.11Å; T377-E381 HydrophobicContact CG2-CB 4.37Å; T377-E381 HydrophobicContact CG2-CG 4.46Å; T377-V382 HydrophobicContact CG2-CG2 3.79Å
378	S	96.4	Very high	95.9	Very high	49 Å²	49	64.7 Å²	64.7	34%	0.343	33%	0.331	S	S	.	.			trans	-80.2	154.8	177.8	67.2	0	0	0	0	111.7	S376 S380 E381 V382	S376-S378 PolarHBondContact O-N 2.76Å; S378-S380 VanDerWaalsContact C-N 3.25Å; S378-S380 PolarHBondContact O-N 2.8Å; S378-S380 PolarHBondContact OG-OG 3.42Å; S378-E381 WeakPolarHBondContact O-CB 3.33Å; S378-E381 PolarHBondContact O-N 3.1Å; S378-E381 WeakPolarHBondContact OG-CB 3.2Å; S378-E381 PolarHBondContact OG-N 2.74Å; S378-E381 VanDerWaalsContact OG-N 3.14Å; S378-V382 PolarHBondContact O-N 2.93Å
379	V	95.3	Very high	95.9	Very high	31 Å²	31	65.3 Å²	65.3	19%	0.188	33%	0.331	C	S	.	.	H	α-helix	trans	-58.6	-39.6	172.7	173.8	0	0	0	0	111.1	I319 E322 A323 E381 V382 Q383	I319-V379 HydrophobicContact CG2-CG2 4.19Å; E322-V379 HydrophobicContact CB-CG1 4.46Å; E322-V379 HydrophobicContact CB-CG2 4.11Å; E322-V379 HydrophobicContact CG-CG1 4.15Å; E322-V379 HydrophobicContact CG-CG2 4.07Å; A323-V379 HydrophobicContact CB-CG1 4.01Å; V379-E381 PolarHBondContact O-N 3.32Å; V379-V382 PolarHBondContact O-N 3.3Å; V379-Q383 HydrophobicContact CG1-CG 4.44Å; V379-Q383 VanDerWaalsContact O-CG 3.31Å; V379-Q383 WeakPolarHBondContact O-CG 3.48Å; V379-Q383 PolarHBondContact O-N 2.85Å
380	S	96.3	Very high	95.7	Very high	59 Å²	59	63.8 Å²	63.8	41%	0.413	32%	0.323	S	S	.	.	H	α-helix	trans	-62.9	-37.6	177	46.3	0	0	0	0	113	S378 V382 Q383 E384	S378-S380 VanDerWaalsContact C-N 3.25Å; S378-S380 PolarHBondContact O-N 2.8Å; S378-S380 PolarHBondContact OG-OG 3.42Å; S380-V382 VanDerWaalsContact C-N 3.32Å; S380-V382 PolarHBondContact O-N 3.05Å; S380-Q383 WeakPolarHBondContact O-CB 3.2Å; S380-Q383 PolarHBondContact O-N 3.29Å; S380-E384 WeakPolarHBondContact O-CG 3.35Å; S380-E384 PolarHBondContact O-N 3Å
381	E	97.9	Very high	95.5	Very high	81 Å²	81	62.6 Å²	62.6	38%	0.379	32%	0.319	S	S	.	.	H	α-helix	trans	-62.7	-41	176	-176.6	-176.2	163.5	0	0	111.3	T377 S378 V379 E384 F385	T377-E381 HydrophobicContact CG2-CB 4.37Å; T377-E381 HydrophobicContact CG2-CG 4.46Å; S378-E381 WeakPolarHBondContact O-CB 3.33Å; S378-E381 PolarHBondContact O-N 3.1Å; S378-E381 WeakPolarHBondContact OG-CB 3.2Å; S378-E381 PolarHBondContact OG-N 2.74Å; S378-E381 VanDerWaalsContact OG-N 3.14Å; V379-E381 PolarHBondContact O-N 3.32Å; E381-E384 PolarHBondContact O-N 2.94Å; E381-F385 WeakPolarHBondContact O-CB 3.24Å; E381-F385 PolarHBondContact O-N 3.43Å
382	V	98.3	Very high	95.4	Very high	0 Å²	0	61.9 Å²	61.9	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-65.2	-42.2	175.2	178.3	0	0	0	0	111.4	I319 A323 I352 L371 V373 T377 S378 V379 S380 F385 F386	I319-V382 HydrophobicContact CG2-CG2 4Å; A323-V382 HydrophobicContact CB-CB 3.8Å; A323-V382 HydrophobicContact CB-CG1 3.5Å; A323-V382 VanDerWaalsContact CB-CG1 3.5Å; I352-V382 HydrophobicContact CD1-CB 4.46Å; I352-V382 HydrophobicContact CD1-CG1 3.48Å; I352-V382 VanDerWaalsContact CD1-CG1 3.48Å; I352-V382 HydrophobicContact CD1-CG2 4.18Å; L371-V382 HydrophobicContact CD2-CB 4.44Å; L371-V382 HydrophobicContact CD2-CG2 3.97Å; V373-V382 HydrophobicContact CG2-CG2 4.28Å; T377-V382 HydrophobicContact CG2-CG2 3.79Å; S378-V382 PolarHBondContact O-N 2.93Å; V379-V382 PolarHBondContact O-N 3.3Å; S380-V382 VanDerWaalsContact C-N 3.32Å; S380-V382 PolarHBondContact O-N 3.05Å; V382-F385 WeakPolarHBondContact O-CB 3.47Å; V382-F385 PolarHBondContact O-N 2.8Å; V382-F386 HydrophobicContact CG1-CD1 4.42Å; V382-F386 HydrophobicContact CG1-CE1 3.68Å; V382-F386 HydrophobicContact CG1-CE2 3.78Å; V382-F386 HydrophobicContact CG1-CZ 3.3Å; V382-F386 WeakPolarHBondContact O-CD1 3.42Å; V382-F386 WeakPolarHBondContact O-CG 3.45Å; V382-F386 PolarHBondContact O-N 3.1Å
383	Q	97.3	Very high	95.3	Very high	43 Å²	43	60.8 Å²	60.8	20%	0.201	31%	0.307	C	S	.	.	H	α-helix	trans	-62.4	-43.7	176.3	-70.1	171.7	-7.2	0	0	112.3	A323 L327 V379 S380 F385 F386 K387	A323-Q383 HydrophobicContact CB-CG 4.07Å; L327-Q383 HydrophobicContact CD1-CB 3.72Å; L327-Q383 HydrophobicContact CD1-CG 3.7Å; L327-Q383 HydrophobicContact CG-CG 4.27Å; V379-Q383 HydrophobicContact CG1-CG 4.44Å; V379-Q383 VanDerWaalsContact O-CG 3.31Å; V379-Q383 WeakPolarHBondContact O-CG 3.48Å; V379-Q383 PolarHBondContact O-N 2.85Å; S380-Q383 WeakPolarHBondContact O-CB 3.2Å; S380-Q383 PolarHBondContact O-N 3.29Å; Q383-F385 VanDerWaalsContact C-N 3.31Å; Q383-F385 PolarHBondContact O-N 2.98Å; Q383-F386 PolarHBondContact O-N 3.43Å; Q383-K387 WeakPolarHBondContact O-CG 2.8Å; Q383-K387 PolarHBondContact O-N 2.89Å
384	E	96.9	Very high	95.3	Very high	132 Å²	132	60.3 Å²	60.3	62%	0.617	31%	0.305	S	S	*	.	H	α-helix	trans	-62.5	-40.2	175.1	-76	179	-171.7	0	0	111.4	S380 E381 F386 K387 K388	S380-E384 WeakPolarHBondContact O-CG 3.35Å; S380-E384 PolarHBondContact O-N 3Å; E381-E384 PolarHBondContact O-N 2.94Å; E384-F386 PolarHBondContact O-N 3.48Å; E384-K387 PolarHBondContact O-N 2.93Å; E384-K388 WeakPolarHBondContact O-CB 3.36Å; E384-K388 PolarHBondContact O-N 3.14Å
385	F	98.1	Very high	95.5	Very high	20 Å²	20	54 Å²	54	9%	0.088	28%	0.277	C	S	.	.	H	α-helix	trans	-60.2	-43.9	174.7	178.4	-103.6	0	0	0	112.2	I352 I354 N369 L371 E381 V382 Q383 H389	I352-F385 HydrophobicContact CB-CE1 4.31Å; I352-F385 HydrophobicContact CG2-CD1 4.22Å; I352-F385 HydrophobicContact CG2-CE1 3.85Å; I354-F385 HydrophobicContact CD1-CD1 3.74Å; I354-F385 HydrophobicContact CD1-CE1 3.46Å; I354-F385 VanDerWaalsContact CD1-CE1 3.46Å; I354-F385 HydrophobicContact CD1-CZ 4.07Å; I354-F385 HydrophobicContact CG1-CD1 4.42Å; I354-F385 HydrophobicContact CG1-CE1 3.7Å; I354-F385 HydrophobicContact CG1-CZ 4.24Å; N369-F385 HydrophobicContact CB-CE2 4.08Å; N369-F385 HydrophobicContact CB-CZ 3.96Å; L371-F385 HydrophobicContact CB-CD1 3.74Å; L371-F385 HydrophobicContact CB-CD2 3.9Å; L371-F385 HydrophobicContact CB-CE1 3.74Å; L371-F385 HydrophobicContact CB-CE2 3.92Å; L371-F385 HydrophobicContact CB-CG 3.83Å; L371-F385 HydrophobicContact CB-CZ 3.84Å; L371-F385 HydrophobicContact CD2-CB 3.8Å; L371-F385 HydrophobicContact CD2-CD1 4.07Å; L371-F385 HydrophobicContact CD2-CG 3.88Å; L371-F385 HydrophobicContact CG-CG 4.4Å; E381-F385 WeakPolarHBondContact O-CB 3.24Å; E381-F385 PolarHBondContact O-N 3.43Å; V382-F385 WeakPolarHBondContact O-CB 3.47Å; V382-F385 PolarHBondContact O-N 2.8Å; Q383-F385 VanDerWaalsContact C-N 3.31Å; Q383-F385 PolarHBondContact O-N 2.98Å; F385-H389 AromaticContact CD2-CD2 3.37Å; F385-H389 WeakPolarHBondContact CD2-CD2 3.26Å; F385-H389 AromaticContact CD2-NE2 3.91Å; F385-H389 AromaticContact CE2-CD2 3.44Å; F385-H389 VanDerWaalsContact CE2-CD2 3.44Å; F385-H389 WeakPolarHBondContact CE2-CD2 3.09Å; F385-H389 AromaticContact CE2-NE2 3.93Å; F385-H389 PolarHBondContact O-CD2 3.44Å; F385-H389 PolarHBondContact O-N 3.48Å
386	F	97.3	Very high	96	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-58.5	-53.9	173.2	-58.6	-23.7	0	0	0	111.2	I305 Y320 A323 L327 F331 F333 I352 I354 V382 Q383 E384 K388 H389 S390	I305-F386 HydrophobicContact CD1-CB 4.45Å; I305-F386 HydrophobicContact CD1-CD1 4.36Å; I305-F386 HydrophobicContact CD1-CG 4.44Å; I305-F386 HydrophobicContact CG2-CD1 4.03Å; I305-F386 HydrophobicContact CG2-CE1 3.8Å; Y320-F386 HydrophobicContact CD2-CE1 4.36Å; Y320-F386 AromaticContact CD2-CZ 3.82Å; Y320-F386 HydrophobicContact CD2-CZ 3.82Å; Y320-F386 HydrophobicContact CE2-CE1 4.12Å; Y320-F386 AromaticContact CE2-CZ 3.72Å; Y320-F386 HydrophobicContact CE2-CZ 3.72Å; A323-F386 HydrophobicContact CB-CE2 3.86Å; A323-F386 HydrophobicContact CB-CZ 4.34Å; L327-F386 HydrophobicContact CD1-CD2 3.92Å; F331-F386 HydrophobicContact CE2-CB 4.35Å; F333-F386 HydrophobicContact CD1-CE2 4.21Å; F333-F386 HydrophobicContact CD1-CZ 4.22Å; F333-F386 HydrophobicContact CE1-CD1 4.19Å; F333-F386 AromaticContact CE1-CD2 3.41Å; F333-F386 HydrophobicContact CE1-CD2 3.41Å; F333-F386 VanDerWaalsContact CE1-CD2 3.41Å; F333-F386 HydrophobicContact CE1-CE1 4.09Å; F333-F386 AromaticContact CE1-CE2 3.32Å; F333-F386 HydrophobicContact CE1-CE2 3.32Å; F333-F386 AromaticContact CE1-CG 3.88Å; F333-F386 HydrophobicContact CE1-CG 3.88Å; F333-F386 AromaticContact CE1-CZ 3.68Å; F333-F386 HydrophobicContact CE1-CZ 3.68Å; F333-F386 AromaticContact CZ-CD2 3.54Å; F333-F386 HydrophobicContact CZ-CD2 3.54Å; F333-F386 AromaticContact CZ-CE2 3.58Å; F333-F386 HydrophobicContact CZ-CE2 3.58Å; F333-F386 HydrophobicContact CZ-CG 4.33Å; F333-F386 HydrophobicContact CZ-CZ 4.37Å; I352-F386 HydrophobicContact CD1-CE1 4.23Å; I352-F386 HydrophobicContact CG2-CE1 3.8Å; I354-F386 HydrophobicContact CD1-CD1 4.16Å; V382-F386 HydrophobicContact CG1-CD1 4.42Å; V382-F386 HydrophobicContact CG1-CE1 3.68Å; V382-F386 HydrophobicContact CG1-CE2 3.78Å; V382-F386 HydrophobicContact CG1-CZ 3.3Å; V382-F386 WeakPolarHBondContact O-CD1 3.42Å; V382-F386 WeakPolarHBondContact O-CG 3.45Å; V382-F386 PolarHBondContact O-N 3.1Å; Q383-F386 PolarHBondContact O-N 3.43Å; E384-F386 PolarHBondContact O-N 3.48Å; F386-K388 VanDerWaalsContact C-N 3.31Å; F386-K388 PolarHBondContact O-N 3.26Å; F386-H389 PolarHBondContact O-N 3.11Å; F386-S390 VanDerWaalsContact O-CB 3.25Å; F386-S390 WeakPolarHBondContact O-CB 3.41Å; F386-S390 PolarHBondContact O-N 3.4Å; F386-S390 VanDerWaalsContact O-N 3.16Å; F386-S390 PolarHBondContact O-OG 2.87Å
387	K	94.4	Very high	96.3	Very high	118 Å²	118	41.4 Å²	41.4	51%	0.513	21%	0.206	S	C	.	.	H	α-helix	trans	-60.4	-39.9	-177.1	-69.8	173.7	-179.2	178.3	0	112.4	F331 Q383 E384	F331-K387 HydrophobicContact CE2-CG 4.43Å; F331-K387 HydrophobicContact CZ-CG 4.32Å; Q383-K387 WeakPolarHBondContact O-CG 2.8Å; Q383-K387 PolarHBondContact O-N 2.89Å; E384-K387 PolarHBondContact O-N 2.93Å
388	K	93.8	Very high	96.3	Very high	160 Å²	160	42.4 Å²	42.4	70%	0.696	21%	0.21	S	C	*	.	H	α-helix	trans	-70.9	-35.5	-176	-177.3	175.2	178.3	-180	0	113.7	E384 F386	E384-K388 WeakPolarHBondContact O-CB 3.36Å; E384-K388 PolarHBondContact O-N 3.14Å; F386-K388 VanDerWaalsContact C-N 3.31Å; F386-K388 PolarHBondContact O-N 3.26Å
389	H	95	Very high	96.2	Very high	43 Å²	43	43.9 Å²	43.9	20%	0.199	22%	0.219	C	C	.	.	H	α-helix	trans	-112.9	2.1	-167.7	-66.5	-70.6	0	0	0	114.5	I354 Q356 N369 F385 F386 I391	I354-H389 HydrophobicContact CD1-CB 3.95Å; I354-H389 HydrophobicContact CG2-CB 4.45Å; I354-H389 WeakPolarHBondContact CG2-O 3.35Å; Q356-H389 PolarHBondContact NE2-O 3.25Å; Q356-H389 VanDerWaalsContact NE2-O 3.07Å; N369-H389 HydrophobicContact CB-CB 3.96Å; N369-H389 PolarHBondContact ND2-ND1 3.23Å; N369-H389 PolarHBondContact OD1-CE1 3.33Å; N369-H389 PolarHBondContact OD1-ND1 3.09Å; F385-H389 AromaticContact CD2-CD2 3.37Å; F385-H389 WeakPolarHBondContact CD2-CD2 3.26Å; F385-H389 AromaticContact CD2-NE2 3.91Å; F385-H389 AromaticContact CE2-CD2 3.44Å; F385-H389 VanDerWaalsContact CE2-CD2 3.44Å; F385-H389 WeakPolarHBondContact CE2-CD2 3.09Å; F385-H389 AromaticContact CE2-NE2 3.93Å; F385-H389 PolarHBondContact O-CD2 3.44Å; F385-H389 PolarHBondContact O-N 3.48Å; F386-H389 PolarHBondContact O-N 3.11Å; H389-I391 VanDerWaalsContact C-N 3.34Å
390	S	94	Very high	96.1	Very high	2 Å²	2	47 Å²	47	1%	0.014	24%	0.241	C	C	.	.	S	Bend	trans	-82.5	-7.4	180	-64.2	0	0	0	0	114.5	A303 F331 Q356 F386	A303-S390 WeakPolarHBondContact CB-O 3.44Å; F331-S390 VanDerWaalsContact CE1-CB 3.41Å; F331-S390 WeakPolarHBondContact CE1-OG 3.48Å; Q356-S390 PolarHBondContact NE2-O 2.86Å; Q356-S390 VanDerWaalsContact NE2-O 3.14Å; F386-S390 VanDerWaalsContact O-CB 3.25Å; F386-S390 WeakPolarHBondContact O-CB 3.41Å; F386-S390 PolarHBondContact O-N 3.4Å; F386-S390 VanDerWaalsContact O-N 3.16Å; F386-S390 PolarHBondContact O-OG 2.87Å
391	I	94.4	Very high	96	Very high	49 Å²	49	45 Å²	45	25%	0.251	23%	0.226	S	C	.	.	S	Bend	trans	-110.3	124.9	176.1	-53.2	162	0	0	0	107.5	H389 R405 Y406	H389-I391 VanDerWaalsContact C-N 3.34Å; I391-R405 HydrophobicContact CD1-CB 4.49Å; I391-R405 WeakPolarHBondContact CD1-O 3.26Å; I391-R405 HydrophobicContact CG1-CB 4.23Å; I391-Y406 HydrophobicContact CG2-CE1 3.98Å
392	P	95.5	Very high	95.8	Very high	9 Å²	9	42.9 Å²	42.9	6%	0.058	22%	0.218	C	C	.	.			trans	-68.4	162.4	173	30.6	-34.2	0	0	0	110.1	Q356 F360 V394 G395	Q356-P392 HydrophobicContact CB-CB 4.41Å; Q356-P392 HydrophobicContact CG-CB 3.88Å; F360-P392 HydrophobicContact CB-CB 3.96Å; F360-P392 HydrophobicContact CB-CG 4Å; F360-P392 HydrophobicContact CD2-CG 4.45Å; F360-P392 HydrophobicContact CG-CG 4.16Å; P392-V394 PolarHBondContact O-N 2.89Å; P392-V394 VanDerWaalsContact O-N 3.07Å; P392-G395 VanDerWaalsContact CG-CA 3.46Å
393	L	96.6	Very high	95.4	Very high	43 Å²	43	47.1 Å²	47.1	23%	0.225	25%	0.252	C	S	.	.	S	Bend	trans	-52.4	-37.4	-179	-178.7	60.7	0	0	0	113.2	E365 L436 A439 K440	E365-L393 WeakPolarHBondContact OE1-CB 3.26Å; E365-L393 PolarHBondContact OE1-N 2.94Å; E365-L393 PolarHBondContact OE2-N 2.93Å; L393-L436 HydrophobicContact CB-CD2 4.04Å; L393-L436 HydrophobicContact CD2-CD2 3.88Å; L393-L436 HydrophobicContact CG-CD2 4.03Å; L393-A439 HydrophobicContact CD1-CB 4.07Å; L393-A439 HydrophobicContact CD2-CB 4.46Å; L393-A439 HydrophobicContact CG-CB 3.98Å; L393-K440 HydrophobicContact CD2-CB 4.11Å
394	V	97.8	Very high	95.1	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	107.8	167.5	-179.6	0	0	0	0	108.1	P392 R432 V435 L436 A439 F447 I449	P392-V394 PolarHBondContact O-N 2.89Å; P392-V394 VanDerWaalsContact O-N 3.07Å; V394-R432 HydrophobicContact CB-CG 4.41Å; V394-R432 HydrophobicContact CG1-CG 3.99Å; V394-R432 VanDerWaalsContact O-CZ 3.25Å; V394-R432 PolarHBondContact O-NE 3.46Å; V394-R432 PolarHBondContact O-NH2 2.85Å; V394-V435 HydrophobicContact CG1-CB 4.13Å; V394-V435 HydrophobicContact CG1-CG1 3.92Å; V394-V435 HydrophobicContact CG2-CB 4.21Å; V394-V435 HydrophobicContact CG2-CG1 3.8Å; V394-L436 HydrophobicContact CB-CD2 3.89Å; V394-L436 HydrophobicContact CB-CG 4.08Å; V394-L436 HydrophobicContact CG2-CD2 3.66Å; V394-L436 HydrophobicContact CG2-CG 3.89Å; V394-A439 HydrophobicContact CG2-CB 3.67Å; V394-F447 HydrophobicContact CG2-CB 3.91Å; V394-I449 HydrophobicContact CG1-CG2 3.88Å
395	G	96.3	Very high	94.9	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	172.1	178.9	0	0	0	0	0	113.3	P392 Y406 A448 I449	P392-G395 VanDerWaalsContact CG-CA 3.46Å; G395-Y406 VanDerWaalsContact CA-OH 3.23Å; G395-Y406 WeakPolarHBondContact CA-OH 3.39Å; G395-A448 WeakPolarHBondContact O-CA 3.23Å; G395-I449 WeakPolarHBondContact O-CG1 3.37Å; G395-I449 PolarHBondContact O-N 3.34Å
396	H	97	Very high	94.8	Very high	17 Å²	17	44 Å²	44	8%	0.079	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	112.5	169.8	-173	-175.9	0	0	0	109.4	F360 K398 N401 Y406 F420 I449	F360-H396 HydrophobicContact CE1-CB 3.8Å; F360-H396 HydrophobicContact CZ-CB 3.69Å; H396-K398 WeakPolarHBondContact NE2-CG 3.46Å; H396-N401 PolarHBondContact O-ND2 3.07Å; H396-Y406 PolarHBondContact O-OH 3.48Å; H396-F420 HydrophobicContact CB-CE2 4.11Å; H396-I449 WeakPolarHBondContact CA-O 3.38Å; H396-I449 HydrophobicContact CB-CG1 4.48Å
397	R	97.4	Very high	94.5	Very high	3 Å²	3	48 Å²	48	1%	0.011	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	123.3	170.9	169.7	172.1	179.2	-106.5	3.1	109	D402 Y406 A448 I449 A450 Y455 E458	R397-D402 IonicContact CZ-OD1 3.48Å; R397-D402 IonicContact CZ-OD2 2.62Å; R397-D402 IonicContact NE-OD1 3.7Å; R397-D402 PolarHBondContact NE-OD1 3.27Å; R397-D402 IonicContact NE-OD2 2.86Å; R397-D402 VanDerWaalsContact NH2-CG 3.33Å; R397-D402 IonicContact NH2-OD1 3.51Å; R397-D402 PolarHBondContact NH2-OD1 3.4Å; R397-D402 IonicContact NH2-OD2 3.29Å; R397-D402 PolarHBondContact NH2-OD2 3.16Å; R397-Y406 VanDerWaalsContact CA-CE2 3.5Å; R397-Y406 HydrophobicContact CB-CD1 4.36Å; R397-Y406 HydrophobicContact CB-CD2 3.71Å; R397-Y406 HydrophobicContact CB-CE1 4.34Å; R397-Y406 HydrophobicContact CB-CE2 3.69Å; R397-Y406 HydrophobicContact CB-CG 4.05Å; R397-Y406 HydrophobicContact CG-CD2 3.79Å; R397-Y406 HydrophobicContact CG-CE2 4.27Å; R397-Y406 HydrophobicContact CG-CG 4.04Å; R397-A448 HydrophobicContact CB-CB 3.76Å; R397-I449 PolarHBondContact N-O 3.31Å; R397-A450 HydrophobicContact CB-CB 4.41Å; R397-Y455 HydrophobicContact CG-CE2 4.31Å; R397-Y455 VanDerWaalsContact CG-OH 3.23Å; R397-Y455 WeakPolarHBondContact CG-OH 3.44Å; R397-Y455 WeakPolarHBondContact O-CE2 3.28Å; R397-E458 IonicContact CZ-OE1 3.09Å; R397-E458 IonicContact CZ-OE2 3.43Å; R397-E458 IonicContact NH1-OE1 3.44Å; R397-E458 PolarHBondContact NH1-OE1 3.42Å; R397-E458 IonicContact NH1-OE2 2.72Å; R397-E458 PolarHBondContact NH1-OE2 2.75Å; R397-E458 IonicContact NH2-OE1 2.7Å; R397-E458 IonicContact NH2-OE2 3.63Å; R397-E458 PolarHBondContact NH2-OE2 3.3Å
398	K	95.8	Very high	94.5	Very high	32 Å²	32	47.6 Å²	47.6	14%	0.139	26%	0.262	C	S	.	.			trans	-130.7	153	-177.7	-65.6	-171.9	-66.4	-175.2	0	110	D301 H396 S400 N401 D402 Y455	D301-K398 IonicContact OD1-NZ 2.66Å; D301-K398 PolarHBondContact OD1-NZ 2.92Å; D301-K398 IonicContact OD2-NZ 3.52Å; D301-K398 PolarHBondContact OD2-NZ 2.98Å; H396-K398 WeakPolarHBondContact NE2-CG 3.46Å; K398-S400 PolarHBondContact O-N 2.77Å; K398-N401 PolarHBondContact N-OD1 3.49Å; K398-N401 PolarHBondContact O-N 2.64Å; K398-N401 PolarHBondContact O-OD1 3.29Å; K398-D402 PolarHBondContact O-N 2.99Å; K398-Y455 WeakPolarHBondContact CA-OH 3.5Å; K398-Y455 PolarHBondContact N-OH 3.22Å; K398-Y455 PolarHBondContact O-OH 3.44Å
399	P	95.4	Very high	94.6	Very high	80 Å²	80	43.6 Å²	43.6	52%	0.519	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.6	-33.6	177.7	-29.3	35.9	0	0	0	113.1	N401 D454 Y455	P399-N401 PolarHBondContact O-N 2.85Å; P399-D454 WeakPolarHBondContact CD-OD2 3.39Å; P399-D454 HydrophobicContact CG-CB 4.04Å; P399-Y455 HydrophobicContact CG-CE2 4.47Å
400	S	92.7	Very high	94.7	Very high	95 Å²	95	42.4 Å²	42.4	66%	0.664	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.3	-21.2	179	57.4	0	0	0	0	115.6	K398	K398-S400 PolarHBondContact O-N 2.77Å
401	N	93.7	Very high	94.9	Very high	18 Å²	18	42.3 Å²	42.3	10%	0.096	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-117.9	-11.3	-178.8	74.6	13	0	0	0	114.1	H396 K398 P399 A403 K404 R405	H396-N401 PolarHBondContact O-ND2 3.07Å; K398-N401 PolarHBondContact N-OD1 3.49Å; K398-N401 PolarHBondContact O-N 2.64Å; K398-N401 PolarHBondContact O-OD1 3.29Å; P399-N401 PolarHBondContact O-N 2.85Å; N401-A403 PolarHBondContact O-N 3.41Å; N401-K404 PolarHBondContact O-N 3.02Å; N401-K404 VanDerWaalsContact O-N 3.1Å; N401-R405 HydrophobicContact CB-CG 4.23Å; N401-R405 WeakPolarHBondContact O-CB 3.37Å; N401-R405 PolarHBondContact O-N 3.02Å
402	D	93.8	Very high	95.2	Very high	37 Å²	37	40 Å²	40	20%	0.198	23%	0.226	C	C	.	.	H	α-helix	trans	-52.9	-56.8	-172.9	-174.7	27.6	0	0	0	112.3	R397 K398 K404 R405 Y406	R397-D402 IonicContact CZ-OD1 3.48Å; R397-D402 IonicContact CZ-OD2 2.62Å; R397-D402 IonicContact NE-OD1 3.7Å; R397-D402 PolarHBondContact NE-OD1 3.27Å; R397-D402 IonicContact NE-OD2 2.86Å; R397-D402 VanDerWaalsContact NH2-CG 3.33Å; R397-D402 IonicContact NH2-OD1 3.51Å; R397-D402 PolarHBondContact NH2-OD1 3.4Å; R397-D402 IonicContact NH2-OD2 3.29Å; R397-D402 PolarHBondContact NH2-OD2 3.16Å; K398-D402 PolarHBondContact O-N 2.99Å; D402-K404 PolarHBondContact O-N 3.3Å; D402-K404 VanDerWaalsContact O-N 3.13Å; D402-R405 PolarHBondContact O-N 3.35Å; D402-Y406 CarbonylContact O-C 3.56Å; D402-Y406 WeakPolarHBondContact O-CA 3.48Å; D402-Y406 PolarHBondContact O-N 3.01Å; D402-Y406 WeakPolarHBondContact OD1-CB 3.29Å
403	A	91.3	Very high	95.3	Very high	88 Å²	88	39.5 Å²	39.5	73%	0.727	22%	0.223	S	C	*	.	H	α-helix	trans	-58.6	-32.2	-178.3	0	0	0	0	0	113.4	N401	N401-A403 PolarHBondContact O-N 3.41Å
404	K	90.6	Very high	95.4	Very high	109 Å²	109	37.5 Å²	37.5	47%	0.474	21%	0.212	S	C	.	.	H	α-helix	trans	-93.5	-19.3	-173.6	-61.3	-176.2	-178.9	-174.1	0	114.1	E329 N401 D402	E329-K404 WeakPolarHBondContact O-CE 3.5Å; E329-K404 PolarHBondContact O-NZ 2.66Å; N401-K404 PolarHBondContact O-N 3.02Å; N401-K404 VanDerWaalsContact O-N 3.1Å; D402-K404 PolarHBondContact O-N 3.3Å; D402-K404 VanDerWaalsContact O-N 3.13Å
405	R	93.1	Very high	95.4	Very high	14 Å²	14	37.5 Å²	37.5	5%	0.053	21%	0.212	C	C	.	.	H	α-helix	trans	-124.1	-38.2	-173	-61.4	-64.1	177.5	-95.6	-4.6	112.4	D302 D330 F331 I391 N401 D402	D302-R405 IonicContact OD1-CZ 2.62Å; D302-R405 IonicContact OD1-NE 3.89Å; D302-R405 PolarHBondContact OD1-NE 2.84Å; D302-R405 VanDerWaalsContact OD1-NE 3.09Å; D302-R405 IonicContact OD1-NH2 2.69Å; D302-R405 IonicContact OD2-CZ 2.82Å; D302-R405 IonicContact OD2-NE 2.6Å; D302-R405 IonicContact OD2-NH2 3.84Å; D302-R405 PolarHBondContact OD2-NH2 3.32Å; D330-R405 VanDerWaalsContact O-CZ 3.25Å; D330-R405 PolarHBondContact O-NH1 2.83Å; D330-R405 PolarHBondContact O-NH2 2.91Å; F331-R405 VanDerWaalsContact CD1-CZ 3.47Å; F331-R405 VanDerWaalsContact CE1-NH1 3.25Å; I391-R405 HydrophobicContact CD1-CB 4.49Å; I391-R405 WeakPolarHBondContact CD1-O 3.26Å; I391-R405 HydrophobicContact CG1-CB 4.23Å; N401-R405 HydrophobicContact CB-CG 4.23Å; N401-R405 WeakPolarHBondContact O-CB 3.37Å; N401-R405 PolarHBondContact O-N 3.02Å; D402-R405 PolarHBondContact O-N 3.35Å
406	Y	94.6	Very high	95.3	Very high	6 Å²	6	37.7 Å²	37.7	2%	0.024	21%	0.213	C	C	.	.	S	Bend	trans	-113.7	37	-169	-61	-80.5	0	0	0	112.5	I391 G395 H396 R397 D402 R409 L411 T446 A448	I391-Y406 HydrophobicContact CG2-CE1 3.98Å; G395-Y406 VanDerWaalsContact CA-OH 3.23Å; G395-Y406 WeakPolarHBondContact CA-OH 3.39Å; H396-Y406 PolarHBondContact O-OH 3.48Å; R397-Y406 VanDerWaalsContact CA-CE2 3.5Å; R397-Y406 HydrophobicContact CB-CD1 4.36Å; R397-Y406 HydrophobicContact CB-CD2 3.71Å; R397-Y406 HydrophobicContact CB-CE1 4.34Å; R397-Y406 HydrophobicContact CB-CE2 3.69Å; R397-Y406 HydrophobicContact CB-CG 4.05Å; R397-Y406 HydrophobicContact CG-CD2 3.79Å; R397-Y406 HydrophobicContact CG-CE2 4.27Å; R397-Y406 HydrophobicContact CG-CG 4.04Å; D402-Y406 CarbonylContact O-C 3.56Å; D402-Y406 WeakPolarHBondContact O-CA 3.48Å; D402-Y406 PolarHBondContact O-N 3.01Å; D402-Y406 WeakPolarHBondContact OD1-CB 3.29Å; Y406-R409 PolarHBondContact O-NH1 3.35Å; Y406-L411 HydrophobicContact CD1-CD1 4.03Å; Y406-T446 HydrophobicContact CD1-CG2 3.96Å; Y406-T446 HydrophobicContact CE1-CG2 4.36Å; Y406-A448 HydrophobicContact CD1-CB 3.88Å; Y406-A448 HydrophobicContact CE1-CB 3.54Å
407	S	92.3	Very high	95.2	Very high	85 Å²	85	39.2 Å²	39.2	59%	0.594	23%	0.233	S	C	*	.			trans	-83.9	-22.1	175.2	59.5	0	0	0	0	113.9	R409	S407-R409 PolarHBondContact O-NH1 2.88Å
408	K	94.2	Very high	95.2	Very high	109 Å²	109	39.5 Å²	39.5	47%	0.474	24%	0.235	S	C	.	.	S	Bend	trans	-65.6	140.6	178.1	-170	-175.8	173.9	-156.5	0	110.8	E444	K408-E444 PolarHBondContact NZ-O 3Å; K408-E444 VanDerWaalsContact NZ-O 3.16Å
409	R	95.3	Very high	95.2	Very high	77 Å²	77	41 Å²	41	29%	0.291	25%	0.245	S	C	.	.	S	Bend	trans	-122	151.6	175.2	-60.2	-69.7	173.7	-91.5	4.3	109.6	Y406 S407 L476 D478	Y406-R409 PolarHBondContact O-NH1 3.35Å; S407-R409 PolarHBondContact O-NH1 2.88Å; R409-L476 WeakPolarHBondContact CD-O 3.31Å; R409-D478 WeakPolarHBondContact CB-OD1 3.38Å
410	P	97.8	Very high	95.1	Very high	17 Å²	17	39 Å²	39	11%	0.11	23%	0.228	C	C	.	.	S	Bend	cis	-66.9	141.3	-8.2	-21	34.2	0	0	0	113.5	Y445 T446 I475 L476 F502	P410-Y445 HydrophobicContact CB-CD1 3.97Å; P410-Y445 HydrophobicContact CB-CE1 4.29Å; P410-Y445 HydrophobicContact CB-CG 4.5Å; P410-Y445 HydrophobicContact CG-CD1 3.84Å; P410-Y445 HydrophobicContact CG-CE1 3.81Å; P410-T446 PolarHBondContact O-N 2.89Å; P410-T446 VanDerWaalsContact O-N 3.08Å; P410-I475 HydrophobicContact CB-CG2 4.3Å; P410-L476 CarbonylContact C-O 3.6Å; P410-L476 WeakPolarHBondContact CA-O 3.4Å; P410-F502 HydrophobicContact CB-CE1 3.77Å; P410-F502 HydrophobicContact CB-CZ 4Å; P410-F502 HydrophobicContact CG-CE1 3.8Å; P410-F502 HydrophobicContact CG-CZ 3.97Å
411	L	98.6	Very high	95.1	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	117.8	176	173.1	63.8	0	0	0	109.1	Y406 V413 T446 A448 I475 L476	Y406-L411 HydrophobicContact CD1-CD1 4.03Å; L411-V413 HydrophobicContact CD1-CG2 4.25Å; L411-V413 HydrophobicContact CD2-CG2 3.88Å; L411-V413 HydrophobicContact CG-CG2 3.62Å; L411-T446 CarbonylContact C-O 3.59Å; L411-T446 WeakPolarHBondContact CA-O 3.17Å; L411-T446 HydrophobicContact CD1-CG2 3.56Å; L411-A448 HydrophobicContact CD1-CB 4.24Å; L411-I475 WeakPolarHBondContact O-CA 3.42Å; L411-L476 HydrophobicContact CB-CB 4.38Å; L411-L476 HydrophobicContact CD2-CD1 4.26Å; L411-L476 PolarHBondContact N-O 3.1Å; L411-L476 PolarHBondContact O-N 3.31Å
412	V	98.7	Very high	95.1	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	120.3	173.5	-170.9	0	0	0	0	108.2	T446 F447 A448 V473 I475 L495 V499	V412-T446 PolarHBondContact N-O 2.86Å; V412-F447 HydrophobicContact CB-CD1 3.67Å; V412-F447 HydrophobicContact CB-CE1 3.71Å; V412-F447 HydrophobicContact CB-CG 4.21Å; V412-F447 HydrophobicContact CB-CZ 4.27Å; V412-F447 HydrophobicContact CG1-CD1 3.91Å; V412-F447 HydrophobicContact CG1-CE1 3.77Å; V412-F447 HydrophobicContact CG2-CD1 4.21Å; V412-F447 HydrophobicContact CG2-CE1 3.83Å; V412-F447 HydrophobicContact CG2-CE2 4.35Å; V412-F447 HydrophobicContact CG2-CZ 3.9Å; V412-F447 WeakPolarHBondContact O-CA 3.48Å; V412-A448 PolarHBondContact O-N 2.86Å; V412-V473 HydrophobicContact CG1-CG1 4.34Å; V412-I475 HydrophobicContact CG1-CG1 4.26Å; V412-I475 HydrophobicContact CG2-CG1 4.16Å; V412-L495 HydrophobicContact CG1-CD1 4.26Å; V412-V499 HydrophobicContact CG1-CG2 4.16Å; V412-V499 HydrophobicContact CG2-CG2 4.32Å
413	V	98.5	Very high	95.1	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	130	-178.1	-168.1	0	0	0	0	109.5	L411 Y415 A448 A450 V473 G474	L411-V413 HydrophobicContact CD1-CG2 4.25Å; L411-V413 HydrophobicContact CD2-CG2 3.88Å; L411-V413 HydrophobicContact CG-CG2 3.62Å; V413-Y415 HydrophobicContact CB-CD2 4.44Å; V413-Y415 HydrophobicContact CB-CE1 4.3Å; V413-Y415 HydrophobicContact CB-CE2 3.68Å; V413-Y415 HydrophobicContact CG1-CD1 4.05Å; V413-Y415 HydrophobicContact CG1-CD2 4.19Å; V413-Y415 HydrophobicContact CG1-CE1 3.58Å; V413-Y415 HydrophobicContact CG1-CE2 3.72Å; V413-Y415 HydrophobicContact CG1-CG 4.32Å; V413-A448 WeakPolarHBondContact CA-O 3.37Å; V413-A450 HydrophobicContact CG1-CB 3.57Å; V413-V473 WeakPolarHBondContact O-CA 3.42Å; V413-V473 WeakPolarHBondContact O-CG1 3.33Å; V413-G474 PolarHBondContact N-O 2.9Å; V413-G474 PolarHBondContact O-N 3.02Å
414	V	98.3	Very high	95.2	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	120.3	171.8	-177.5	0	0	0	0	107.9	Y416 V435 A448 I449 A450 V471 V473 F490 L495	V414-Y416 HydrophobicContact CG1-CD1 4.07Å; V414-Y416 HydrophobicContact CG1-CE1 4.27Å; V414-V435 HydrophobicContact CB-CG2 3.94Å; V414-V435 HydrophobicContact CG1-CG2 4.16Å; V414-V435 HydrophobicContact CG2-CG1 4.14Å; V414-V435 HydrophobicContact CG2-CG2 3.63Å; V414-A448 PolarHBondContact N-O 3.39Å; V414-I449 VanDerWaalsContact O-CA 3.32Å; V414-I449 WeakPolarHBondContact O-CA 3.43Å; V414-A450 PolarHBondContact O-N 3.2Å; V414-V471 HydrophobicContact CG1-CG1 3.42Å; V414-V471 VanDerWaalsContact CG1-CG1 3.42Å; V414-V473 HydrophobicContact CB-CG2 4.39Å; V414-V473 HydrophobicContact CG1-CG2 4.13Å; V414-V473 HydrophobicContact CG2-CG1 4.26Å; V414-V473 HydrophobicContact CG2-CG2 3.97Å; V414-F490 HydrophobicContact CG1-CE1 4.12Å; V414-F490 HydrophobicContact CG1-CE2 4.3Å; V414-F490 HydrophobicContact CG1-CZ 3.76Å; V414-F490 HydrophobicContact CG2-CZ 4.21Å; V414-L495 HydrophobicContact CG2-CD1 4.33Å; V414-L495 HydrophobicContact CG2-CD2 4.3Å
415	Y	97.4	Very high	95.4	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	130.4	-175.6	-52.6	-96.2	0	0	0	110.3	V413 A450 Y455 E458 L459 L462 V471 N472	V413-Y415 HydrophobicContact CB-CD2 4.44Å; V413-Y415 HydrophobicContact CB-CE1 4.3Å; V413-Y415 HydrophobicContact CB-CE2 3.68Å; V413-Y415 HydrophobicContact CG1-CD1 4.05Å; V413-Y415 HydrophobicContact CG1-CD2 4.19Å; V413-Y415 HydrophobicContact CG1-CE1 3.58Å; V413-Y415 HydrophobicContact CG1-CE2 3.72Å; V413-Y415 HydrophobicContact CG1-CG 4.32Å; Y415-A450 WeakPolarHBondContact CA-O 3.23Å; Y415-A450 HydrophobicContact CD1-CB 3.85Å; Y415-A450 HydrophobicContact CE1-CB 4.01Å; Y415-Y455 HydrophobicContact CE1-CG 4.27Å; Y415-E458 WeakPolarHBondContact CE1-OE1 3.31Å; Y415-E458 PolarHBondContact OH-OE1 2.8Å; Y415-L459 HydrophobicContact CD1-CD1 4.49Å; Y415-L459 HydrophobicContact CD1-CD2 4.12Å; Y415-L459 HydrophobicContact CD1-CG 4.22Å; Y415-L459 HydrophobicContact CD2-CD2 3.75Å; Y415-L459 HydrophobicContact CE2-CD2 4.22Å; Y415-L459 HydrophobicContact CG-CD2 3.7Å; Y415-L459 HydrophobicContact CG-CG 4.27Å; Y415-L462 HydrophobicContact CE2-CD1 3.88Å; Y415-V471 WeakPolarHBondContact O-CA 3.29Å; Y415-N472 PolarHBondContact N-O 3.37Å; Y415-N472 PolarHBondContact O-N 3.02Å
416	Y	95.6	Very high	95.5	Very high	4 Å²	4	55.8 Å²	55.8	2%	0.016	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-165.5	179.4	173.8	58.7	-86.9	0	0	0	108.2	V414 V418 T428 W431 R432 I449 A450 D451 E452 E470	V414-Y416 HydrophobicContact CG1-CD1 4.07Å; V414-Y416 HydrophobicContact CG1-CE1 4.27Å; Y416-V418 HydrophobicContact CD1-CG2 4.23Å; Y416-V418 HydrophobicContact CD2-CG2 3.89Å; Y416-V418 HydrophobicContact CE1-CG2 3.99Å; Y416-V418 HydrophobicContact CE2-CB 4.37Å; Y416-V418 HydrophobicContact CE2-CG2 3.6Å; Y416-V418 HydrophobicContact CG-CG2 4.2Å; Y416-V418 PolarHBondContact O-N 3.29Å; Y416-T428 HydrophobicContact CE2-CG2 4.25Å; Y416-T428 PolarHBondContact OH-O 2.97Å; Y416-W431 HydrophobicContact CD1-CB 4.17Å; Y416-W431 HydrophobicContact CD2-CB 4.34Å; Y416-W431 AromaticContact CD2-CD1 3.73Å; Y416-W431 HydrophobicContact CD2-CG 4.34Å; Y416-W431 HydrophobicContact CE1-CB 3.69Å; Y416-W431 HydrophobicContact CE2-CB 3.89Å; Y416-W431 AromaticContact CE2-CD1 3.89Å; Y416-W431 HydrophobicContact CE2-CG 4.29Å; Y416-W431 HydrophobicContact CG-CB 4.46Å; Y416-W431 HydrophobicContact CG-CG 4.47Å; Y416-R432 PolarHBondContact OH-N 3.41Å; Y416-I449 HydrophobicContact CE1-CB 3.86Å; Y416-I449 HydrophobicContact CE1-CG2 3.7Å; Y416-I449 VanDerWaalsContact OH-CD1 3.22Å; Y416-I449 WeakPolarHBondContact OH-CD1 3.3Å; Y416-A450 PolarHBondContact N-O 3.17Å; Y416-D451 WeakPolarHBondContact O-CA 3.47Å; Y416-E452 PolarHBondContact O-N 3.03Å; Y416-E470 WeakPolarHBondContact CB-O 3.37Å
417	G	95.3	Very high	95.5	Very high	49 Å²	49	58 Å²	58	51%	0.505	30%	0.301	S	S	.	.			trans	-65.8	88.3	173.1	0	0	0	0	0	112.6	D419	G417-D419 PolarHBondContact O-N 2.92Å
418	V	96.6	Very high	95.7	Very high	10 Å²	10	54 Å²	54	6%	0.061	27%	0.274	C	S	.	.			trans	-85.5	95.7	-174.7	178.3	0	0	0	0	109.4	Y416 F420 T428 I449 A450 D451	Y416-V418 HydrophobicContact CD1-CG2 4.23Å; Y416-V418 HydrophobicContact CD2-CG2 3.89Å; Y416-V418 HydrophobicContact CE1-CG2 3.99Å; Y416-V418 HydrophobicContact CE2-CB 4.37Å; Y416-V418 HydrophobicContact CE2-CG2 3.6Å; Y416-V418 HydrophobicContact CG-CG2 4.2Å; Y416-V418 PolarHBondContact O-N 3.29Å; V418-F420 HydrophobicContact CG1-CD2 4.26Å; V418-F420 HydrophobicContact CG1-CE2 3.83Å; V418-T428 HydrophobicContact CG1-CG2 3.95Å; V418-I449 HydrophobicContact CG1-CD1 3.78Å; V418-I449 HydrophobicContact CG1-CG1 4.26Å; V418-I449 HydrophobicContact CG2-CB 4.14Å; V418-I449 HydrophobicContact CG2-CD1 4.21Å; V418-I449 HydrophobicContact CG2-CG1 4.28Å; V418-A450 VanDerWaalsContact CG2-C 3.48Å; V418-A450 WeakPolarHBondContact CG2-O 3.42Å; V418-D451 HydrophobicContact CB-CB 4.18Å; V418-D451 PolarHBondContact N-OD2 3.27Å
419	D	95.2	Very high	95.8	Very high	62 Å²	62	51.9 Å²	51.9	33%	0.332	27%	0.265	S	S	.	.			trans	-127.1	122.8	175.3	-173.5	6.3	0	0	0	112.4	G417 S421 Y424 R425 T428	G417-D419 PolarHBondContact O-N 2.92Å; D419-S421 WeakPolarHBondContact OD1-CB 3.33Å; D419-S421 PolarHBondContact OD1-N 3.45Å; D419-S421 PolarHBondContact OD1-OG 2.86Å; D419-S421 WeakPolarHBondContact OD2-CB 3.46Å; D419-S421 PolarHBondContact OD2-OG 2.84Å; D419-Y424 HydrophobicContact CB-CD2 4.49Å; D419-Y424 HydrophobicContact CB-CG 4.37Å; D419-Y424 CarbonylContact O-C 3.57Å; D419-Y424 WeakPolarHBondContact OD2-CD2 3.37Å; D419-R425 WeakPolarHBondContact O-CA 3.36Å; D419-R425 PolarHBondContact O-N 2.85Å; D419-T428 PolarHBondContact N-OG1 2.9Å; D419-T428 VanDerWaalsContact N-OG1 3.07Å; D419-T428 VanDerWaalsContact O-CB 3.31Å; D419-T428 WeakPolarHBondContact O-CB 3.38Å; D419-T428 PolarHBondContact O-OG1 2.82Å
420	F	93.8	Very high	95.9	Very high	38 Å²	38	53 Å²	53	17%	0.167	27%	0.272	C	S	.	.			trans	-95.3	7.1	176.9	-74.6	-81.9	0	0	0	113.6	K359 F360 H396 V418 T428 I449	K359-F420 HydrophobicContact CB-CD1 3.85Å; K359-F420 HydrophobicContact CB-CE1 3.95Å; K359-F420 HydrophobicContact CD-CB 4.19Å; K359-F420 HydrophobicContact CD-CD1 3.89Å; K359-F420 HydrophobicContact CD-CD2 4.33Å; K359-F420 HydrophobicContact CD-CE1 4.32Å; K359-F420 HydrophobicContact CD-CG 3.88Å; K359-F420 HydrophobicContact CG-CD1 4.24Å; K359-F420 HydrophobicContact CG-CE1 4.27Å; F360-F420 HydrophobicContact CD1-CZ 4.27Å; F360-F420 HydrophobicContact CE1-CE1 4.45Å; F360-F420 AromaticContact CE1-CE2 3.88Å; F360-F420 HydrophobicContact CE1-CE2 3.88Å; F360-F420 AromaticContact CE1-CZ 3.66Å; F360-F420 HydrophobicContact CE1-CZ 3.66Å; F360-F420 HydrophobicContact CZ-CE2 4.42Å; H396-F420 HydrophobicContact CB-CE2 4.11Å; V418-F420 HydrophobicContact CG1-CD2 4.26Å; V418-F420 HydrophobicContact CG1-CE2 3.83Å; F420-T428 HydrophobicContact CD1-CG2 4.1Å; F420-T428 HydrophobicContact CD2-CG2 4.09Å; F420-T428 HydrophobicContact CE1-CG2 3.74Å; F420-T428 HydrophobicContact CE2-CG2 3.71Å; F420-T428 HydrophobicContact CG-CG2 4.28Å; F420-T428 HydrophobicContact CZ-CG2 3.53Å; F420-I449 HydrophobicContact CE2-CD1 4.18Å; F420-I449 HydrophobicContact CZ-CD1 4.02Å
421	S	93.6	Very high	95.8	Very high	46 Å²	46	54.5 Å²	54.5	32%	0.322	28%	0.276	S	S	.	.	S	Bend	trans	-61.7	163.6	171.9	78	0	0	0	0	111.5	D419 D423 Y424 R425	D419-S421 WeakPolarHBondContact OD1-CB 3.33Å; D419-S421 PolarHBondContact OD1-N 3.45Å; D419-S421 PolarHBondContact OD1-OG 2.86Å; D419-S421 WeakPolarHBondContact OD2-CB 3.46Å; D419-S421 PolarHBondContact OD2-OG 2.84Å; S421-D423 PolarHBondContact O-N 2.7Å; S421-D423 VanDerWaalsContact O-N 3.16Å; S421-Y424 PolarHBondContact O-N 2.91Å; S421-Y424 WeakPolarHBondContact OG-CD2 3.22Å; S421-R425 VanDerWaalsContact O-CB 3.23Å; S421-R425 WeakPolarHBondContact O-CB 3.34Å; S421-R425 WeakPolarHBondContact O-CG 3.23Å; S421-R425 PolarHBondContact O-N 2.92Å
422	F	91.7	Very high	95.8	Very high	150 Å²	150	54.5 Å²	54.5	66%	0.658	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.5	-38.6	-170.9	179.1	-95	0	0	0	113.4	R425	F422-R425 VanDerWaalsContact CD2-NH2 3.33Å; F422-R425 PolarHBondContact O-NE 3.01Å
423	D	94.1	Very high	95.8	Very high	126 Å²	126	56.8 Å²	56.8	67%	0.674	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.4	-30.7	-174.3	-63.4	-39.3	0	0	0	112.7	S421	S421-D423 PolarHBondContact O-N 2.7Å; S421-D423 VanDerWaalsContact O-N 3.16Å
424	Y	94.2	Very high	95.7	Very high	140 Å²	140	59.3 Å²	59.3	55%	0.549	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111.5	-15.5	-170.6	-60	-77.1	0	0	0	114.6	D419 S421 I426 A427 T428	D419-Y424 HydrophobicContact CB-CD2 4.49Å; D419-Y424 HydrophobicContact CB-CG 4.37Å; D419-Y424 CarbonylContact O-C 3.57Å; D419-Y424 WeakPolarHBondContact OD2-CD2 3.37Å; S421-Y424 PolarHBondContact O-N 2.91Å; S421-Y424 WeakPolarHBondContact OG-CD2 3.22Å; Y424-I426 PolarHBondContact O-N 3Å; Y424-A427 PolarHBondContact O-N 3.19Å; Y424-T428 PolarHBondContact O-N 3.2Å; Y424-T428 VanDerWaalsContact O-N 3.09Å
425	R	93.9	Very high	95.8	Very high	115 Å²	115	59.3 Å²	59.3	43%	0.434	30%	0.303	S	S	.	.	H	α-helix	trans	-53.6	-29.1	-177.5	63.5	-172.3	177	162.3	6.1	115.3	D419 S421 F422 Q429	D419-R425 WeakPolarHBondContact O-CA 3.36Å; D419-R425 PolarHBondContact O-N 2.85Å; S421-R425 VanDerWaalsContact O-CB 3.23Å; S421-R425 WeakPolarHBondContact O-CB 3.34Å; S421-R425 WeakPolarHBondContact O-CG 3.23Å; S421-R425 PolarHBondContact O-N 2.92Å; F422-R425 VanDerWaalsContact CD2-NH2 3.33Å; F422-R425 PolarHBondContact O-NE 3.01Å; R425-Q429 WeakPolarHBondContact O-CB 3.41Å; R425-Q429 WeakPolarHBondContact O-CG 3.41Å; R425-Q429 PolarHBondContact O-N 3.41Å
426	I	95.4	Very high	95.8	Very high	137 Å²	137	59.9 Å²	59.9	70%	0.703	31%	0.305	S	S	*	.	H	α-helix	trans	-68.7	-46.4	178.9	-63.9	177.5	0	0	0	110.1	Y424 Q429 F430	Y424-I426 PolarHBondContact O-N 3Å; I426-Q429 PolarHBondContact O-N 3.35Å; I426-F430 WeakPolarHBondContact O-CB 3.48Å; I426-F430 PolarHBondContact O-N 2.83Å
427	A	95.3	Very high	95.9	Very high	53 Å²	53	61.9 Å²	61.9	44%	0.438	32%	0.316	S	S	.	.	H	α-helix	trans	-64	-44.5	176.3	0	0	0	0	0	110.8	Y424 Q429 F430 W431	Y424-A427 PolarHBondContact O-N 3.19Å; A427-Q429 VanDerWaalsContact C-N 3.32Å; A427-Q429 PolarHBondContact O-N 2.87Å; A427-F430 WeakPolarHBondContact O-CB 3.14Å; A427-F430 PolarHBondContact O-N 2.96Å; A427-F430 VanDerWaalsContact O-N 3.11Å; A427-W431 PolarHBondContact O-N 2.83Å; A427-W431 VanDerWaalsContact O-N 3.15Å
428	T	96.3	Very high	96.1	Very high	2 Å²	2	59.5 Å²	59.5	1%	0.012	29%	0.292	C	S	.	.	H	α-helix	trans	-58.4	-43.7	176.4	-63.9	0	0	0	0	112.6	Y416 V418 D419 F420 Y424 F430 R432 I449	Y416-T428 HydrophobicContact CE2-CG2 4.25Å; Y416-T428 PolarHBondContact OH-O 2.97Å; V418-T428 HydrophobicContact CG1-CG2 3.95Å; D419-T428 PolarHBondContact N-OG1 2.9Å; D419-T428 VanDerWaalsContact N-OG1 3.07Å; D419-T428 VanDerWaalsContact O-CB 3.31Å; D419-T428 WeakPolarHBondContact O-CB 3.38Å; D419-T428 PolarHBondContact O-OG1 2.82Å; F420-T428 HydrophobicContact CD1-CG2 4.1Å; F420-T428 HydrophobicContact CD2-CG2 4.09Å; F420-T428 HydrophobicContact CE1-CG2 3.74Å; F420-T428 HydrophobicContact CE2-CG2 3.71Å; F420-T428 HydrophobicContact CG-CG2 4.28Å; F420-T428 HydrophobicContact CZ-CG2 3.53Å; Y424-T428 PolarHBondContact O-N 3.2Å; Y424-T428 VanDerWaalsContact O-N 3.09Å; T428-F430 VanDerWaalsContact C-N 3.35Å; T428-R432 VanDerWaalsContact O-CB 3.29Å; T428-R432 WeakPolarHBondContact O-CB 3.5Å; T428-R432 PolarHBondContact O-N 2.95Å; T428-I449 HydrophobicContact CG2-CD1 4.19Å
429	Q	96.6	Very high	96.2	Very high	63 Å²	63	59 Å²	59	29%	0.294	29%	0.289	S	S	.	.	H	α-helix	trans	-70.4	-31.7	177.5	-71.3	-72.5	21.1	0	0	112.9	K359 R425 I426 A427 S433	K359-Q429 PolarHBondContact O-NE2 3.5Å; R425-Q429 WeakPolarHBondContact O-CB 3.41Å; R425-Q429 WeakPolarHBondContact O-CG 3.41Å; R425-Q429 PolarHBondContact O-N 3.41Å; I426-Q429 PolarHBondContact O-N 3.35Å; A427-Q429 VanDerWaalsContact C-N 3.32Å; A427-Q429 PolarHBondContact O-N 2.87Å; Q429-S433 VanDerWaalsContact O-CB 3.31Å; Q429-S433 WeakPolarHBondContact O-CB 3.26Å; Q429-S433 PolarHBondContact O-N 3.29Å
430	F	96.7	Very high	96.3	Very high	101 Å²	101	60 Å²	60	44%	0.443	29%	0.291	S	S	.	.	H	α-helix	trans	-59.5	-54.4	175.1	173.3	-98.6	0	0	0	110.6	I426 A427 T428 S433 K434	I426-F430 WeakPolarHBondContact O-CB 3.48Å; I426-F430 PolarHBondContact O-N 2.83Å; A427-F430 WeakPolarHBondContact O-CB 3.14Å; A427-F430 PolarHBondContact O-N 2.96Å; A427-F430 VanDerWaalsContact O-N 3.11Å; T428-F430 VanDerWaalsContact C-N 3.35Å; F430-S433 WeakPolarHBondContact O-CB 3.32Å; F430-S433 PolarHBondContact O-N 2.98Å; F430-S433 PolarHBondContact O-OG 3.47Å; F430-K434 PolarHBondContact O-N 2.84Å
431	W	96.9	Very high	96.5	Very high	48 Å²	48	61.5 Å²	61.5	18%	0.182	30%	0.3	C	S	.	.	H	α-helix	trans	-64.1	-45.2	178.6	-65.7	130	0	0	0	112.4	Y416 A427 S433 K434 V435 V471 F490	Y416-W431 HydrophobicContact CD1-CB 4.17Å; Y416-W431 HydrophobicContact CD2-CB 4.34Å; Y416-W431 AromaticContact CD2-CD1 3.73Å; Y416-W431 HydrophobicContact CD2-CG 4.34Å; Y416-W431 HydrophobicContact CE1-CB 3.69Å; Y416-W431 HydrophobicContact CE2-CB 3.89Å; Y416-W431 AromaticContact CE2-CD1 3.89Å; Y416-W431 HydrophobicContact CE2-CG 4.29Å; Y416-W431 HydrophobicContact CG-CB 4.46Å; Y416-W431 HydrophobicContact CG-CG 4.47Å; A427-W431 PolarHBondContact O-N 2.83Å; A427-W431 VanDerWaalsContact O-N 3.15Å; W431-S433 PolarHBondContact O-N 3.11Å; W431-K434 HydrophobicContact CE3-CG 4.49Å; W431-K434 WeakPolarHBondContact O-CB 3.43Å; W431-K434 PolarHBondContact O-N 3.43Å; W431-V435 PolarHBondContact O-N 3.39Å; W431-V471 HydrophobicContact CD2-CG2 3.91Å; W431-V471 HydrophobicContact CE3-CG2 4.12Å; W431-V471 HydrophobicContact CG-CG2 4.45Å; W431-V471 HydrophobicContact CH2-CG2 4.12Å; W431-V471 HydrophobicContact CZ2-CG2 3.91Å; W431-V471 HydrophobicContact CZ3-CG2 4.23Å; W431-F490 AromaticContact CE3-CD1 3.57Å; W431-F490 HydrophobicContact CE3-CD1 3.57Å; W431-F490 HydrophobicContact CE3-CE1 4.08Å; W431-F490 HydrophobicContact CZ3-CB 4.27Å; W431-F490 AromaticContact CZ3-CD1 3.63Å; W431-F490 HydrophobicContact CZ3-CD1 3.63Å; W431-F490 HydrophobicContact CZ3-CG 4.44Å; W431-F490 WeakPolarHBondContact CZ3-O 3.49Å
432	R	97.8	Very high	96.7	Very high	1 Å²	1	59.9 Å²	59.9	0%	0.004	29%	0.288	C	S	.	.	H	α-helix	trans	-54.7	-38.1	174.3	-174.3	178.9	171.3	-95.1	-8.9	112.6	F360 N361 V394 Y416 T428 K434 V435 L436 I449	F360-R432 PolarHBondContact O-NH2 3.41Å; N361-R432 PolarHBondContact O-NH1 2.77Å; V394-R432 HydrophobicContact CB-CG 4.41Å; V394-R432 HydrophobicContact CG1-CG 3.99Å; V394-R432 VanDerWaalsContact O-CZ 3.25Å; V394-R432 PolarHBondContact O-NE 3.46Å; V394-R432 PolarHBondContact O-NH2 2.85Å; Y416-R432 PolarHBondContact OH-N 3.41Å; T428-R432 VanDerWaalsContact O-CB 3.29Å; T428-R432 WeakPolarHBondContact O-CB 3.5Å; T428-R432 PolarHBondContact O-N 2.95Å; R432-K434 VanDerWaalsContact C-N 3.29Å; R432-K434 PolarHBondContact O-N 3.09Å; R432-V435 PolarHBondContact O-N 2.8Å; R432-L436 HydrophobicContact CG-CD1 4.36Å; R432-L436 WeakPolarHBondContact O-CG 2.98Å; R432-L436 PolarHBondContact O-N 2.93Å; R432-I449 HydrophobicContact CB-CD1 4.19Å; R432-I449 HydrophobicContact CB-CG2 4.48Å; R432-I449 HydrophobicContact CG-CD1 4.26Å
433	S	97.9	Very high	96.8	Very high	47 Å²	47	57.7 Å²	57.7	33%	0.329	29%	0.288	S	S	.	.	H	α-helix	trans	-63.2	-35	178.9	78.2	0	0	0	0	112.7	Q429 F430 W431 L436 D437	Q429-S433 VanDerWaalsContact O-CB 3.31Å; Q429-S433 WeakPolarHBondContact O-CB 3.26Å; Q429-S433 PolarHBondContact O-N 3.29Å; F430-S433 WeakPolarHBondContact O-CB 3.32Å; F430-S433 PolarHBondContact O-N 2.98Å; F430-S433 PolarHBondContact O-OG 3.47Å; W431-S433 PolarHBondContact O-N 3.11Å; S433-L436 PolarHBondContact O-N 2.8Å; S433-D437 PolarHBondContact O-N 3.22Å; S433-D437 VanDerWaalsContact O-N 3.1Å
434	K	98.1	Very high	96.8	Very high	54 Å²	54	55 Å²	55	24%	0.235	27%	0.272	C	S	.	.	H	α-helix	trans	-65	-42.8	174.5	-56.2	-59.7	-177.4	171.4	0	111.4	F430 W431 R432 D437 F490 S492	F430-K434 PolarHBondContact O-N 2.84Å; W431-K434 HydrophobicContact CE3-CG 4.49Å; W431-K434 WeakPolarHBondContact O-CB 3.43Å; W431-K434 PolarHBondContact O-N 3.43Å; R432-K434 VanDerWaalsContact C-N 3.29Å; R432-K434 PolarHBondContact O-N 3.09Å; K434-D437 PolarHBondContact O-N 3.39Å; K434-F490 HydrophobicContact CB-CE1 4.09Å; K434-S492 WeakPolarHBondContact CA-OG 3.45Å; K434-S492 WeakPolarHBondContact CD-OG 3.41Å; K434-S492 PolarHBondContact O-OG 3.43Å
435	V	98.5	Very high	97	Very high	0 Å²	0	50 Å²	50	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-63.3	-43.6	175.7	-168	0	0	0	0	111.2	V394 V414 W431 R432 D437 V438 A439 F447 I449 F490 L495	V394-V435 HydrophobicContact CG1-CB 4.13Å; V394-V435 HydrophobicContact CG1-CG1 3.92Å; V394-V435 HydrophobicContact CG2-CB 4.21Å; V394-V435 HydrophobicContact CG2-CG1 3.8Å; V414-V435 HydrophobicContact CB-CG2 3.94Å; V414-V435 HydrophobicContact CG1-CG2 4.16Å; V414-V435 HydrophobicContact CG2-CG1 4.14Å; V414-V435 HydrophobicContact CG2-CG2 3.63Å; W431-V435 PolarHBondContact O-N 3.39Å; R432-V435 PolarHBondContact O-N 2.8Å; V435-D437 VanDerWaalsContact C-N 3.33Å; V435-D437 PolarHBondContact O-N 2.81Å; V435-V438 PolarHBondContact O-N 2.62Å; V435-V438 VanDerWaalsContact O-N 3.09Å; V435-A439 WeakPolarHBondContact O-CB 3.22Å; V435-A439 PolarHBondContact O-N 3.2Å; V435-F447 HydrophobicContact CG1-CB 4.34Å; V435-F447 HydrophobicContact CG1-CD1 3.91Å; V435-I449 HydrophobicContact CG2-CG2 4.14Å; V435-F490 HydrophobicContact CG2-CZ 4.44Å; V435-L495 HydrophobicContact CB-CD2 4.29Å; V435-L495 HydrophobicContact CG1-CD2 4.09Å; V435-L495 HydrophobicContact CG2-CD2 4.32Å
436	L	98.4	Very high	97.2	Very high	11 Å²	11	45.3 Å²	45.3	6%	0.058	24%	0.236	C	C	.	.	H	α-helix	trans	-59.3	-40.5	178.1	-82.4	170.2	0	0	0	113.1	Y364 L393 V394 R432 S433 V438 A439 K440	Y364-L436 HydrophobicContact CD2-CB 4.05Å; Y364-L436 HydrophobicContact CE2-CB 4.14Å; L393-L436 HydrophobicContact CB-CD2 4.04Å; L393-L436 HydrophobicContact CD2-CD2 3.88Å; L393-L436 HydrophobicContact CG-CD2 4.03Å; V394-L436 HydrophobicContact CB-CD2 3.89Å; V394-L436 HydrophobicContact CB-CG 4.08Å; V394-L436 HydrophobicContact CG2-CD2 3.66Å; V394-L436 HydrophobicContact CG2-CG 3.89Å; R432-L436 HydrophobicContact CG-CD1 4.36Å; R432-L436 WeakPolarHBondContact O-CG 2.98Å; R432-L436 PolarHBondContact O-N 2.93Å; S433-L436 PolarHBondContact O-N 2.8Å; L436-V438 PolarHBondContact O-N 3.37Å; L436-A439 PolarHBondContact O-N 2.71Å; L436-K440 PolarHBondContact O-N 3.34Å
437	D	98.1	Very high	97.3	Very high	46 Å²	46	39 Å²	39	25%	0.246	20%	0.203	C	C	.	.	H	α-helix	trans	-60.3	-27.1	177.5	-74.5	-20.6	0	0	0	112.4	Y364 S433 K434 V435 K440 S492 R496	Y364-D437 VanDerWaalsContact CE2-OD1 3.32Å; Y364-D437 WeakPolarHBondContact CE2-OD1 3.32Å; Y364-D437 VanDerWaalsContact CZ-OD1 3.29Å; Y364-D437 PolarHBondContact OH-OD1 3.1Å; S433-D437 PolarHBondContact O-N 3.22Å; S433-D437 VanDerWaalsContact O-N 3.1Å; K434-D437 PolarHBondContact O-N 3.39Å; V435-D437 VanDerWaalsContact C-N 3.33Å; V435-D437 PolarHBondContact O-N 2.81Å; D437-K440 VanDerWaalsContact O-CE 3.26Å; D437-K440 WeakPolarHBondContact O-CE 3.35Å; D437-S492 PolarHBondContact OD2-OG 3.41Å; D437-R496 PolarHBondContact O-NH2 3.36Å
438	V	98.6	Very high	97.5	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-89.7	-50.2	175.7	-174.3	0	0	0	0	111.3	V435 L436 K440 D441 F442 F447 S492 L495 R496 V499	V435-V438 PolarHBondContact O-N 2.62Å; V435-V438 VanDerWaalsContact O-N 3.09Å; L436-V438 PolarHBondContact O-N 3.37Å; V438-K440 PolarHBondContact O-N 2.93Å; V438-K440 VanDerWaalsContact O-N 3.11Å; V438-D441 PolarHBondContact O-N 3.27Å; V438-F442 HydrophobicContact CG1-CD2 3.92Å; V438-F442 HydrophobicContact CG1-CE2 3.72Å; V438-F442 WeakPolarHBondContact O-CD2 3.38Å; V438-F447 HydrophobicContact CG1-CE1 4.39Å; V438-S492 WeakPolarHBondContact CG2-O 3.48Å; V438-L495 HydrophobicContact CB-CD2 3.97Å; V438-L495 HydrophobicContact CB-CG 4.27Å; V438-L495 HydrophobicContact CG1-CD2 4.39Å; V438-L495 HydrophobicContact CG1-CG 4.22Å; V438-L495 HydrophobicContact CG2-CB 4.1Å; V438-L495 HydrophobicContact CG2-CD2 3.84Å; V438-L495 HydrophobicContact CG2-CG 4.02Å; V438-R496 HydrophobicContact CG1-CB 4.11Å; V438-R496 HydrophobicContact CG2-CB 4.12Å; V438-V499 HydrophobicContact CG1-CG2 4.5Å
439	A	98.4	Very high	97.6	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-53.7	-37	-172.5	0	0	0	0	0	113.4	L393 V394 V435 L436 D441 F442 F447	L393-A439 HydrophobicContact CD1-CB 4.07Å; L393-A439 HydrophobicContact CD2-CB 4.46Å; L393-A439 HydrophobicContact CG-CB 3.98Å; V394-A439 HydrophobicContact CG2-CB 3.67Å; V435-A439 WeakPolarHBondContact O-CB 3.22Å; V435-A439 PolarHBondContact O-N 3.2Å; L436-A439 PolarHBondContact O-N 2.71Å; A439-D441 PolarHBondContact O-N 2.52Å; A439-D441 VanDerWaalsContact O-N 3.07Å; A439-F442 PolarHBondContact O-N 3.38Å; A439-F447 HydrophobicContact CB-CB 3.88Å; A439-F447 HydrophobicContact CB-CD1 3.93Å; A439-F447 HydrophobicContact CB-CD2 3.62Å; A439-F447 HydrophobicContact CB-CE1 4.37Å; A439-F447 HydrophobicContact CB-CE2 4.09Å; A439-F447 HydrophobicContact CB-CG 3.53Å; A439-F447 HydrophobicContact CB-CZ 4.45Å
440	K	97.4	Very high	97.6	Very high	82 Å²	82	33.3 Å²	33.3	36%	0.357	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.2	-24.5	178.6	72.2	-178.3	-178.9	61.2	0	114.2	Y364 L393 L436 D437 V438	Y364-K440 HydrophobicContact CD1-CB 4.45Å; Y364-K440 HydrophobicContact CD1-CD 3.45Å; Y364-K440 VanDerWaalsContact CD1-CD 3.45Å; Y364-K440 HydrophobicContact CD2-CB 4.49Å; Y364-K440 HydrophobicContact CD2-CD 4.1Å; Y364-K440 HydrophobicContact CE1-CD 3.41Å; Y364-K440 VanDerWaalsContact CE1-CD 3.41Å; Y364-K440 HydrophobicContact CE2-CD 4.06Å; Y364-K440 HydrophobicContact CG-CB 4.12Å; Y364-K440 HydrophobicContact CG-CD 3.82Å; L393-K440 HydrophobicContact CD2-CB 4.11Å; L436-K440 PolarHBondContact O-N 3.34Å; D437-K440 VanDerWaalsContact O-CE 3.26Å; D437-K440 WeakPolarHBondContact O-CE 3.35Å; V438-K440 PolarHBondContact O-N 2.93Å; V438-K440 VanDerWaalsContact O-N 3.11Å
441	D	97.9	Very high	97.7	Very high	69 Å²	69	29.7 Å²	29.7	37%	0.369	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.1	-1.3	-176.8	-56.1	-47	0	0	0	112.8	V438 A439 R496	V438-D441 PolarHBondContact O-N 3.27Å; A439-D441 PolarHBondContact O-N 2.52Å; A439-D441 VanDerWaalsContact O-N 3.07Å; D441-R496 IonicContact OD2-CZ 3.42Å; D441-R496 IonicContact OD2-NH1 3.66Å; D441-R496 PolarHBondContact OD2-NH1 3.4Å; D441-R496 IonicContact OD2-NH2 2.7Å; D441-R496 PolarHBondContact OD2-NH2 3.09Å
442	F	97.8	Very high	97.5	Very high	13 Å²	13	30.7 Å²	30.7	6%	0.057	16%	0.16	C	C	.	.			trans	-133.4	59.9	-178.5	-59.6	-83.5	0	0	0	112	V438 A439 E444 Y445 F447 V499 V500 K503	V438-F442 HydrophobicContact CG1-CD2 3.92Å; V438-F442 HydrophobicContact CG1-CE2 3.72Å; V438-F442 WeakPolarHBondContact O-CD2 3.38Å; A439-F442 PolarHBondContact O-N 3.38Å; F442-E444 VanDerWaalsContact C-OE2 3.31Å; F442-E444 WeakPolarHBondContact CA-OE2 3.44Å; F442-E444 PolarHBondContact O-N 3.02Å; F442-E444 VanDerWaalsContact O-N 3.08Å; F442-Y445 HydrophobicContact CB-CD2 4Å; F442-Y445 HydrophobicContact CD1-CD2 4.37Å; F442-Y445 HydrophobicContact CD1-CE2 4.22Å; F442-Y445 HydrophobicContact CG-CD2 4.43Å; F442-Y445 PolarHBondContact O-N 3.47Å; F442-F447 HydrophobicContact CB-CE2 3.79Å; F442-F447 HydrophobicContact CB-CZ 3.99Å; F442-F447 HydrophobicContact CD2-CZ 4.23Å; F442-F447 HydrophobicContact CG-CZ 4.4Å; F442-V499 HydrophobicContact CD1-CG1 3.76Å; F442-V499 HydrophobicContact CD2-CG1 3.89Å; F442-V499 HydrophobicContact CE1-CG1 3.79Å; F442-V499 HydrophobicContact CE2-CB 4.4Å; F442-V499 HydrophobicContact CE2-CG1 3.93Å; F442-V499 HydrophobicContact CG-CG1 3.82Å; F442-V499 HydrophobicContact CZ-CB 4.41Å; F442-V499 HydrophobicContact CZ-CG1 3.89Å; F442-V500 HydrophobicContact CE1-CG2 4.28Å; F442-V500 HydrophobicContact CZ-CG2 3.75Å; F442-K503 HydrophobicContact CD1-CD 4.28Å; F442-K503 HydrophobicContact CE1-CD 4.12Å
443	P	94.4	Very high	97.3	Very high	103 Å²	103	38.3 Å²	38.3	67%	0.669	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.8	-15.6	-177.6	28.7	-37.6	0	0	0	114.2	Y445	P443-Y445 VanDerWaalsContact C-N 3.31Å
444	E	94.9	Very high	97.3	Very high	70 Å²	70	40 Å²	40	33%	0.327	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-27.3	173.6	62.9	-92.5	-141.8	0	0	113.3	K408 F442 K503	K408-E444 PolarHBondContact NZ-O 3Å; K408-E444 VanDerWaalsContact NZ-O 3.16Å; F442-E444 VanDerWaalsContact C-OE2 3.31Å; F442-E444 WeakPolarHBondContact CA-OE2 3.44Å; F442-E444 PolarHBondContact O-N 3.02Å; F442-E444 VanDerWaalsContact O-N 3.08Å; E444-K503 WeakPolarHBondContact OE1-CE 3.35Å; E444-K503 IonicContact OE1-NZ 3.82Å; E444-K503 PolarHBondContact OE1-NZ 3.4Å
445	Y	97.3	Very high	97.2	Very high	35 Å²	35	38.3 Å²	38.3	14%	0.137	19%	0.193	C	C	.	.	S	Bend	trans	-100.9	152.4	-177.5	-56.1	-27.7	0	0	0	111.6	P410 F442 P443 V499 F502 K503	P410-Y445 HydrophobicContact CB-CD1 3.97Å; P410-Y445 HydrophobicContact CB-CE1 4.29Å; P410-Y445 HydrophobicContact CB-CG 4.5Å; P410-Y445 HydrophobicContact CG-CD1 3.84Å; P410-Y445 HydrophobicContact CG-CE1 3.81Å; F442-Y445 HydrophobicContact CB-CD2 4Å; F442-Y445 HydrophobicContact CD1-CD2 4.37Å; F442-Y445 HydrophobicContact CD1-CE2 4.22Å; F442-Y445 HydrophobicContact CG-CD2 4.43Å; F442-Y445 PolarHBondContact O-N 3.47Å; P443-Y445 VanDerWaalsContact C-N 3.31Å; Y445-V499 HydrophobicContact CD2-CG1 3.9Å; Y445-V499 HydrophobicContact CE2-CG1 3.85Å; Y445-F502 HydrophobicContact CE1-CE1 4.32Å; Y445-F502 HydrophobicContact CE2-CD1 4.15Å; Y445-F502 HydrophobicContact CE2-CE1 4.41Å; Y445-F502 AromaticContact CZ-CE1 4Å; Y445-K503 HydrophobicContact CE2-CB 4.47Å; Y445-K503 WeakPolarHBondContact OH-CB 3.48Å
446	T	97.6	Very high	96.9	Very high	17 Å²	17	40.8 Å²	40.8	10%	0.104	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	135.7	169.6	-59.4	0	0	0	0	108.7	Y406 P410 L411 V412	Y406-T446 HydrophobicContact CD1-CG2 3.96Å; Y406-T446 HydrophobicContact CE1-CG2 4.36Å; P410-T446 PolarHBondContact O-N 2.89Å; P410-T446 VanDerWaalsContact O-N 3.08Å; L411-T446 CarbonylContact C-O 3.59Å; L411-T446 WeakPolarHBondContact CA-O 3.17Å; L411-T446 HydrophobicContact CD1-CG2 3.56Å; V412-T446 PolarHBondContact N-O 2.86Å
447	F	98.6	Very high	96.6	Very high	3 Å²	3	46.6 Å²	46.6	1%	0.013	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	141.4	174.5	-73	-104	0	0	0	110.4	V394 V412 V435 V438 A439 F442 V499	V394-F447 HydrophobicContact CG2-CB 3.91Å; V412-F447 HydrophobicContact CB-CD1 3.67Å; V412-F447 HydrophobicContact CB-CE1 3.71Å; V412-F447 HydrophobicContact CB-CG 4.21Å; V412-F447 HydrophobicContact CB-CZ 4.27Å; V412-F447 HydrophobicContact CG1-CD1 3.91Å; V412-F447 HydrophobicContact CG1-CE1 3.77Å; V412-F447 HydrophobicContact CG2-CD1 4.21Å; V412-F447 HydrophobicContact CG2-CE1 3.83Å; V412-F447 HydrophobicContact CG2-CE2 4.35Å; V412-F447 HydrophobicContact CG2-CZ 3.9Å; V412-F447 WeakPolarHBondContact O-CA 3.48Å; V435-F447 HydrophobicContact CG1-CB 4.34Å; V435-F447 HydrophobicContact CG1-CD1 3.91Å; V438-F447 HydrophobicContact CG1-CE1 4.39Å; A439-F447 HydrophobicContact CB-CB 3.88Å; A439-F447 HydrophobicContact CB-CD1 3.93Å; A439-F447 HydrophobicContact CB-CD2 3.62Å; A439-F447 HydrophobicContact CB-CE1 4.37Å; A439-F447 HydrophobicContact CB-CE2 4.09Å; A439-F447 HydrophobicContact CB-CG 3.53Å; A439-F447 HydrophobicContact CB-CZ 4.45Å; F442-F447 HydrophobicContact CB-CE2 3.79Å; F442-F447 HydrophobicContact CB-CZ 3.99Å; F442-F447 HydrophobicContact CD2-CZ 4.23Å; F442-F447 HydrophobicContact CG-CZ 4.4Å; F447-V499 HydrophobicContact CE1-CG2 4.13Å; F447-V499 HydrophobicContact CZ-CG1 4.26Å; F447-V499 HydrophobicContact CZ-CG2 4.26Å
448	A	98.4	Very high	96.4	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	156.7	175.6	0	0	0	0	0	111.4	G395 R397 Y406 L411 V412 V413 V414	G395-A448 WeakPolarHBondContact O-CA 3.23Å; R397-A448 HydrophobicContact CB-CB 3.76Å; Y406-A448 HydrophobicContact CD1-CB 3.88Å; Y406-A448 HydrophobicContact CE1-CB 3.54Å; L411-A448 HydrophobicContact CD1-CB 4.24Å; V412-A448 PolarHBondContact O-N 2.86Å; V413-A448 WeakPolarHBondContact CA-O 3.37Å; V414-A448 PolarHBondContact N-O 3.39Å
449	I	98.5	Very high	96.1	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	146.1	159.4	60.7	173.4	0	0	0	108.2	V394 G395 H396 R397 V414 Y416 V418 F420 T428 R432 V435	V394-I449 HydrophobicContact CG1-CG2 3.88Å; G395-I449 WeakPolarHBondContact O-CG1 3.37Å; G395-I449 PolarHBondContact O-N 3.34Å; H396-I449 WeakPolarHBondContact CA-O 3.38Å; H396-I449 HydrophobicContact CB-CG1 4.48Å; R397-I449 PolarHBondContact N-O 3.31Å; V414-I449 VanDerWaalsContact O-CA 3.32Å; V414-I449 WeakPolarHBondContact O-CA 3.43Å; Y416-I449 HydrophobicContact CE1-CB 3.86Å; Y416-I449 HydrophobicContact CE1-CG2 3.7Å; Y416-I449 VanDerWaalsContact OH-CD1 3.22Å; Y416-I449 WeakPolarHBondContact OH-CD1 3.3Å; V418-I449 HydrophobicContact CG1-CD1 3.78Å; V418-I449 HydrophobicContact CG1-CG1 4.26Å; V418-I449 HydrophobicContact CG2-CB 4.14Å; V418-I449 HydrophobicContact CG2-CD1 4.21Å; V418-I449 HydrophobicContact CG2-CG1 4.28Å; F420-I449 HydrophobicContact CE2-CD1 4.18Å; F420-I449 HydrophobicContact CZ-CD1 4.02Å; T428-I449 HydrophobicContact CG2-CD1 4.19Å; R432-I449 HydrophobicContact CB-CD1 4.19Å; R432-I449 HydrophobicContact CB-CG2 4.48Å; R432-I449 HydrophobicContact CG-CD1 4.26Å; V435-I449 HydrophobicContact CG2-CG2 4.14Å
450	A	98.2	Very high	95.7	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	145.4	178.8	0	0	0	0	0	109.9	R397 V413 V414 Y415 Y416 V418 Y455	R397-A450 HydrophobicContact CB-CB 4.41Å; V413-A450 HydrophobicContact CG1-CB 3.57Å; V414-A450 PolarHBondContact O-N 3.2Å; Y415-A450 WeakPolarHBondContact CA-O 3.23Å; Y415-A450 HydrophobicContact CD1-CB 3.85Å; Y415-A450 HydrophobicContact CE1-CB 4.01Å; Y416-A450 PolarHBondContact N-O 3.17Å; V418-A450 VanDerWaalsContact CG2-C 3.48Å; V418-A450 WeakPolarHBondContact CG2-O 3.42Å; A450-Y455 HydrophobicContact CB-CD2 3.72Å; A450-Y455 HydrophobicContact CB-CE2 3.87Å; A450-Y455 HydrophobicContact CB-CG 4.46Å
451	D	97	Very high	95.2	Very high	24 Å²	24	50.5 Å²	50.5	13%	0.128	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	136.6	172.7	-172.5	-93.9	0	0	0	110.7	Y416 V418 E453 D454 Y455	Y416-D451 WeakPolarHBondContact O-CA 3.47Å; V418-D451 HydrophobicContact CB-CB 4.18Å; V418-D451 PolarHBondContact N-OD2 3.27Å; D451-E453 WeakPolarHBondContact OD1-CA 3.34Å; D451-E453 VanDerWaalsContact OD1-CB 3.29Å; D451-E453 WeakPolarHBondContact OD1-CB 3.34Å; D451-E453 PolarHBondContact OD1-N 3.36Å; D451-D454 HydrophobicContact CB-CB 4.11Å; D451-D454 PolarHBondContact OD1-N 3.42Å; D451-Y455 WeakPolarHBondContact O-CD2 3.43Å; D451-Y455 PolarHBondContact O-N 3.36Å
452	E	94.4	Very high	94.8	Very high	70 Å²	70	47.5 Å²	47.5	33%	0.327	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70	-31.9	-177.6	62.5	-177.6	-151.7	0	0	113.3	Y416 Y455 A456 L459	Y416-E452 PolarHBondContact O-N 3.03Å; E452-Y455 CarbonylContact O-C 3.36Å; E452-Y455 PolarHBondContact O-N 3.47Å; E452-A456 PolarHBondContact O-N 3.19Å; E452-L459 HydrophobicContact CB-CD1 3.69Å
453	E	93.9	Very high	94.4	Very high	160 Å²	160	49.5 Å²	49.5	75%	0.748	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72	-44.2	179.1	-57	-171.2	166.3	0	0	110.1	D451 Y455 A456	D451-E453 WeakPolarHBondContact OD1-CA 3.34Å; D451-E453 VanDerWaalsContact OD1-CB 3.29Å; D451-E453 WeakPolarHBondContact OD1-CB 3.34Å; D451-E453 PolarHBondContact OD1-N 3.36Å; E453-Y455 PolarHBondContact O-N 3.33Å; E453-Y455 VanDerWaalsContact O-N 3.15Å; E453-A456 PolarHBondContact O-N 3.27Å
454	D	96.2	Very high	94.1	Very high	84 Å²	84	45 Å²	45	45%	0.449	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-26.6	175.9	-84.2	-11.1	0	0	0	112.7	P399 D451	P399-D454 WeakPolarHBondContact CD-OD2 3.39Å; P399-D454 HydrophobicContact CG-CB 4.04Å; D451-D454 HydrophobicContact CB-CB 4.11Å; D451-D454 PolarHBondContact OD1-N 3.42Å
455	Y	95.9	Very high	93.4	Very high	17 Å²	17	45.1 Å²	45.1	7%	0.067	25%	0.25	C	C	.	.	T	Hydrogen-bonded Turn	trans	-121.1	26.4	-174.5	-70.2	-85.2	0	0	0	114.2	R397 K398 P399 Y415 A450 D451 E452 E453 E457 E458 L459	R397-Y455 HydrophobicContact CG-CE2 4.31Å; R397-Y455 VanDerWaalsContact CG-OH 3.23Å; R397-Y455 WeakPolarHBondContact CG-OH 3.44Å; R397-Y455 WeakPolarHBondContact O-CE2 3.28Å; K398-Y455 WeakPolarHBondContact CA-OH 3.5Å; K398-Y455 PolarHBondContact N-OH 3.22Å; K398-Y455 PolarHBondContact O-OH 3.44Å; P399-Y455 HydrophobicContact CG-CE2 4.47Å; Y415-Y455 HydrophobicContact CE1-CG 4.27Å; A450-Y455 HydrophobicContact CB-CD2 3.72Å; A450-Y455 HydrophobicContact CB-CE2 3.87Å; A450-Y455 HydrophobicContact CB-CG 4.46Å; D451-Y455 WeakPolarHBondContact O-CD2 3.43Å; D451-Y455 PolarHBondContact O-N 3.36Å; E452-Y455 CarbonylContact O-C 3.36Å; E452-Y455 PolarHBondContact O-N 3.47Å; E453-Y455 PolarHBondContact O-N 3.33Å; E453-Y455 VanDerWaalsContact O-N 3.15Å; Y455-E457 VanDerWaalsContact C-N 3.33Å; Y455-E457 PolarHBondContact O-N 2.86Å; Y455-E458 HydrophobicContact CD1-CB 4.4Å; Y455-E458 WeakPolarHBondContact O-CA 3.28Å; Y455-E458 WeakPolarHBondContact O-CB 3.15Å; Y455-E458 PolarHBondContact O-N 3.45Å; Y455-L459 PolarHBondContact O-N 2.85Å
456	A	93.9	Very high	92.3	Very high	52 Å²	52	52.2 Å²	52.2	43%	0.43	28%	0.284	S	S	.	.	H	α-helix	trans	-55.2	-40.4	-177.5	0	0	0	0	0	114.3	E452 E453 E458 L459 K460	E452-A456 PolarHBondContact O-N 3.19Å; E453-A456 PolarHBondContact O-N 3.27Å; A456-E458 VanDerWaalsContact C-N 3.35Å; A456-L459 PolarHBondContact O-N 2.95Å; A456-K460 WeakPolarHBondContact O-CB 3.26Å; A456-K460 PolarHBondContact O-N 2.99Å
457	E	91.8	Very high	91.3	Very high	134 Å²	134	52.3 Å²	52.3	63%	0.626	29%	0.285	S	S	*	.	H	α-helix	trans	-70.3	-30.9	176.9	-71.6	-61.2	138.8	0	0	112.5	Y455 K460 S461	Y455-E457 VanDerWaalsContact C-N 3.33Å; Y455-E457 PolarHBondContact O-N 2.86Å; E457-K460 IonicContact OE1-NZ 3.17Å; E457-K460 IonicContact OE2-NZ 2.64Å; E457-K460 PolarHBondContact OE2-NZ 3.42Å; E457-S461 WeakPolarHBondContact O-CB 3.4Å; E457-S461 PolarHBondContact O-N 3.49Å
458	E	93	Very high	90.1	Very high	35 Å²	35	56 Å²	56	16%	0.164	32%	0.324	C	S	.	.	H	α-helix	trans	-69.4	-45.7	173.6	-168.4	172.6	76.2	0	0	110.1	R397 Y415 Y455 A456 K460 S461 L462 L476	R397-E458 IonicContact CZ-OE1 3.09Å; R397-E458 IonicContact CZ-OE2 3.43Å; R397-E458 IonicContact NH1-OE1 3.44Å; R397-E458 PolarHBondContact NH1-OE1 3.42Å; R397-E458 IonicContact NH1-OE2 2.72Å; R397-E458 PolarHBondContact NH1-OE2 2.75Å; R397-E458 IonicContact NH2-OE1 2.7Å; R397-E458 IonicContact NH2-OE2 3.63Å; R397-E458 PolarHBondContact NH2-OE2 3.3Å; Y415-E458 WeakPolarHBondContact CE1-OE1 3.31Å; Y415-E458 PolarHBondContact OH-OE1 2.8Å; Y455-E458 HydrophobicContact CD1-CB 4.4Å; Y455-E458 WeakPolarHBondContact O-CA 3.28Å; Y455-E458 WeakPolarHBondContact O-CB 3.15Å; Y455-E458 PolarHBondContact O-N 3.45Å; A456-E458 VanDerWaalsContact C-N 3.35Å; E458-K460 VanDerWaalsContact C-N 3.33Å; E458-K460 PolarHBondContact O-N 3.07Å; E458-S461 CarbonylContact O-C 3.59Å; E458-S461 WeakPolarHBondContact O-CA 3.38Å; E458-S461 WeakPolarHBondContact O-CB 3.27Å; E458-S461 PolarHBondContact O-N 2.95Å; E458-S461 PolarHBondContact O-OG 2.79Å; E458-L462 HydrophobicContact CG-CD1 4.44Å; E458-L462 WeakPolarHBondContact O-CG 3.37Å; E458-L462 PolarHBondContact O-N 2.76Å; E458-L476 WeakPolarHBondContact OE2-CD1 3.47Å
459	L	92.7	Very high	89.4	Confident	11 Å²	11	58.8 Å²	58.8	6%	0.058	34%	0.337	C	S	.	.	H	α-helix	trans	-57.7	-43.7	173.6	-75.8	170.8	0	0	0	112.1	Y415 E452 Y455 A456 S461 L462 G463 L464 N472	Y415-L459 HydrophobicContact CD1-CD1 4.49Å; Y415-L459 HydrophobicContact CD1-CD2 4.12Å; Y415-L459 HydrophobicContact CD1-CG 4.22Å; Y415-L459 HydrophobicContact CD2-CD2 3.75Å; Y415-L459 HydrophobicContact CE2-CD2 4.22Å; Y415-L459 HydrophobicContact CG-CD2 3.7Å; Y415-L459 HydrophobicContact CG-CG 4.27Å; E452-L459 HydrophobicContact CB-CD1 3.69Å; Y455-L459 PolarHBondContact O-N 2.85Å; A456-L459 PolarHBondContact O-N 2.95Å; L459-S461 VanDerWaalsContact C-N 3.31Å; L459-S461 PolarHBondContact O-N 2.85Å; L459-L462 CarbonylContact O-C 3.45Å; L459-L462 WeakPolarHBondContact O-CA 3.39Å; L459-L462 WeakPolarHBondContact O-CB 3.34Å; L459-L462 PolarHBondContact O-N 2.94Å; L459-G463 PolarHBondContact O-N 2.78Å; L459-L464 HydrophobicContact CB-CB 4.42Å; L459-L464 HydrophobicContact CD2-CB 3.86Å; L459-L464 HydrophobicContact CD2-CD1 4.03Å; L459-L464 PolarHBondContact O-N 2.78Å; L459-N472 HydrophobicContact CD2-CB 4.03Å
460	K	89.6	Confident	88.7	Confident	118 Å²	118	66 Å²	66	51%	0.513	37%	0.37	S	S	.	.	H	α-helix	trans	-59.3	-42	172.5	-177.3	-176.5	178.5	-175.1	0	112.3	A456 E457 E458 L462 G463	A456-K460 WeakPolarHBondContact O-CB 3.26Å; A456-K460 PolarHBondContact O-N 2.99Å; E457-K460 IonicContact OE1-NZ 3.17Å; E457-K460 IonicContact OE2-NZ 2.64Å; E457-K460 PolarHBondContact OE2-NZ 3.42Å; E458-K460 VanDerWaalsContact C-N 3.33Å; E458-K460 PolarHBondContact O-N 3.07Å; K460-L462 PolarHBondContact O-N 3.1Å; K460-G463 PolarHBondContact O-N 3.21Å
461	S	87.3	Confident	88.5	Confident	46 Å²	46	66.2 Å²	66.2	32%	0.322	37%	0.372	S	S	.	.	H	α-helix	trans	-67.6	-23.7	175.1	84.2	0	0	0	0	113.2	E457 E458 L459 G463 K482	E457-S461 WeakPolarHBondContact O-CB 3.4Å; E457-S461 PolarHBondContact O-N 3.49Å; E458-S461 CarbonylContact O-C 3.59Å; E458-S461 WeakPolarHBondContact O-CA 3.38Å; E458-S461 WeakPolarHBondContact O-CB 3.27Å; E458-S461 PolarHBondContact O-N 2.95Å; E458-S461 PolarHBondContact O-OG 2.79Å; L459-S461 VanDerWaalsContact C-N 3.31Å; L459-S461 PolarHBondContact O-N 2.85Å; S461-G463 VanDerWaalsContact C-N 3.3Å; S461-K482 PolarHBondContact OG-NZ 2.9Å
462	L	90.5	Very high	88.4	Confident	5 Å²	5	65.2 Å²	65.2	3%	0.026	37%	0.367	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.9	-5.4	171.5	-65.9	168.8	0	0	0	112.6	Y415 E458 L459 K460 L464 L476 K482 A484 I510	Y415-L462 HydrophobicContact CE2-CD1 3.88Å; E458-L462 HydrophobicContact CG-CD1 4.44Å; E458-L462 WeakPolarHBondContact O-CG 3.37Å; E458-L462 PolarHBondContact O-N 2.76Å; L459-L462 CarbonylContact O-C 3.45Å; L459-L462 WeakPolarHBondContact O-CA 3.39Å; L459-L462 WeakPolarHBondContact O-CB 3.34Å; L459-L462 PolarHBondContact O-N 2.94Å; K460-L462 PolarHBondContact O-N 3.1Å; L462-L464 HydrophobicContact CB-CB 4.42Å; L462-L464 HydrophobicContact CB-CD1 3.83Å; L462-L464 HydrophobicContact CB-CG 3.98Å; L462-L464 HydrophobicContact CD1-CD1 4.16Å; L462-L464 PolarHBondContact O-N 3.48Å; L462-L476 HydrophobicContact CD2-CD2 4.41Å; L462-K482 HydrophobicContact CD2-CB 3.74Å; L462-K482 HydrophobicContact CD2-CD 4.08Å; L462-K482 HydrophobicContact CD2-CG 4.29Å; L462-A484 HydrophobicContact CB-CB 4.24Å; L462-A484 HydrophobicContact CD2-CB 4.46Å; L462-I510 HydrophobicContact CB-CD1 4.06Å; L462-I510 HydrophobicContact CD2-CD1 3.57Å; L462-I510 HydrophobicContact CG-CD1 4.44Å; L462-I510 WeakPolarHBondContact O-CD1 3.42Å
463	G	87.9	Confident	88.5	Confident	56 Å²	56	61.9 Å²	61.9	58%	0.577	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.3	17.9	-173.9	0	0	0	0	0	114	L459 K460 S461	L459-G463 PolarHBondContact O-N 2.78Å; K460-G463 PolarHBondContact O-N 3.21Å; S461-G463 VanDerWaalsContact C-N 3.3Å
464	L	88.5	Confident	88.7	Confident	8 Å²	8	54.3 Å²	54.3	4%	0.042	32%	0.316	C	S	.	.			trans	-102.4	4.1	-176.2	-64.4	172.7	0	0	0	113.2	L459 L462 E466 S467 N472 A484 E486	L459-L464 HydrophobicContact CB-CB 4.42Å; L459-L464 HydrophobicContact CD2-CB 3.86Å; L459-L464 HydrophobicContact CD2-CD1 4.03Å; L459-L464 PolarHBondContact O-N 2.78Å; L462-L464 HydrophobicContact CB-CB 4.42Å; L462-L464 HydrophobicContact CB-CD1 3.83Å; L462-L464 HydrophobicContact CB-CG 3.98Å; L462-L464 HydrophobicContact CD1-CD1 4.16Å; L462-L464 PolarHBondContact O-N 3.48Å; L464-E466 PolarHBondContact O-N 2.9Å; L464-S467 PolarHBondContact O-N 2.83Å; L464-S467 PolarHBondContact O-OG 3.34Å; L464-N472 HydrophobicContact CB-CB 4.46Å; L464-N472 HydrophobicContact CD1-CB 3.88Å; L464-A484 HydrophobicContact CD1-CB 3.77Å; L464-A484 HydrophobicContact CD2-CB 4.19Å; L464-A484 HydrophobicContact CG-CB 4.02Å; L464-E486 HydrophobicContact CD2-CB 3.89Å; L464-E486 HydrophobicContact CD2-CG 4.47Å
465	S	81.1	Confident	88.8	Confident	73 Å²	73	50.3 Å²	50.3	51%	0.51	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68	-16.1	-176.6	54	0	0	0	0	114.8
466	E	73.9	Confident	88.9	Confident	183 Å²	183	49.9 Å²	49.9	86%	0.855	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-121.5	14.8	-178.7	-62.2	-174.4	172.7	0	0	112.1	L464 G468	L464-E466 PolarHBondContact O-N 2.9Å; E466-G468 VanDerWaalsContact C-N 3.29Å; E466-G468 PolarHBondContact O-N 2.5Å
467	S	75.3	Confident	88.9	Confident	20 Å²	20	48 Å²	48	14%	0.14	28%	0.277	C	S	.	.			trans	-60.4	-41.7	-175.8	58.2	0	0	0	0	112.1	L464 E469 N472 E486	L464-S467 PolarHBondContact O-N 2.83Å; L464-S467 PolarHBondContact O-OG 3.34Å; S467-E469 PolarHBondContact O-N 2.72Å; S467-E469 PolarHBondContact OG-N 3.44Å; S467-N472 WeakPolarHBondContact CB-OD1 3.49Å; S467-N472 PolarHBondContact OG-ND2 3.39Å; S467-N472 PolarHBondContact OG-OD1 3.04Å; S467-E486 WeakPolarHBondContact CA-OE1 3.32Å; S467-E486 WeakPolarHBondContact CB-OE1 3.38Å
468	G	73.3	Confident	88.8	Confident	79 Å²	79	46.4 Å²	46.4	81%	0.814	27%	0.273	S	S	*	.			trans	72.5	1.8	-172.5	0	0	0	0	0	113.2	E466	E466-G468 VanDerWaalsContact C-N 3.29Å; E466-G468 PolarHBondContact O-N 2.5Å
469	E	83.9	Confident	88.3	Confident	59 Å²	59	48.8 Å²	48.8	28%	0.276	31%	0.307	S	S	.	.			trans	-78.5	144.4	176.7	-62.9	-54.9	151	0	0	111.4	S467 V471 N472 E486	S467-E469 PolarHBondContact O-N 2.72Å; S467-E469 PolarHBondContact OG-N 3.44Å; E469-V471 PolarHBondContact O-N 3.12Å; E469-N472 PolarHBondContact O-ND2 2.93Å; E469-E486 HydrophobicContact CG-CG 3.6Å
470	E	84.8	Confident	87.9	Confident	151 Å²	151	51.2 Å²	51.2	71%	0.706	34%	0.335	S	S	*	.	S	Bend	trans	-68.5	-23.9	179.6	-65.5	-172	171.8	0	0	113.2	Y416	Y416-E470 WeakPolarHBondContact CB-O 3.37Å
471	V	93.6	Very high	87.9	Confident	5 Å²	5	50.9 Å²	50.9	3%	0.03	33%	0.333	C	S	.	.			trans	-138.5	123.5	-179.6	-175.9	0	0	0	0	110.3	V414 Y415 W431 E469 F490	V414-V471 HydrophobicContact CG1-CG1 3.42Å; V414-V471 VanDerWaalsContact CG1-CG1 3.42Å; Y415-V471 WeakPolarHBondContact O-CA 3.29Å; W431-V471 HydrophobicContact CD2-CG2 3.91Å; W431-V471 HydrophobicContact CE3-CG2 4.12Å; W431-V471 HydrophobicContact CG-CG2 4.45Å; W431-V471 HydrophobicContact CH2-CG2 4.12Å; W431-V471 HydrophobicContact CZ2-CG2 3.91Å; W431-V471 HydrophobicContact CZ3-CG2 4.23Å; E469-V471 PolarHBondContact O-N 3.12Å; V471-F490 HydrophobicContact CB-CB 3.85Å; V471-F490 HydrophobicContact CB-CD1 4.14Å; V471-F490 HydrophobicContact CB-CD2 4.5Å; V471-F490 HydrophobicContact CB-CG 3.91Å; V471-F490 HydrophobicContact CG1-CB 4.12Å; V471-F490 HydrophobicContact CG1-CD1 3.67Å; V471-F490 HydrophobicContact CG1-CD2 3.87Å; V471-F490 HydrophobicContact CG1-CE1 3.99Å; V471-F490 HydrophobicContact CG1-CE2 4.18Å; V471-F490 HydrophobicContact CG1-CG 3.59Å; V471-F490 HydrophobicContact CG1-CZ 4.23Å; V471-F490 HydrophobicContact CG2-CB 4.23Å; V471-F490 HydrophobicContact CG2-CD1 4.15Å; V471-F490 HydrophobicContact CG2-CG 4.34Å
472	N	94.6	Very high	88.2	Confident	4 Å²	4	51.7 Å²	51.7	2%	0.021	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	151.4	176.6	-65.3	-77.5	0	0	0	110.4	Y415 L459 L464 S467 E469	Y415-N472 PolarHBondContact N-O 3.37Å; Y415-N472 PolarHBondContact O-N 3.02Å; L459-N472 HydrophobicContact CD2-CB 4.03Å; L464-N472 HydrophobicContact CB-CB 4.46Å; L464-N472 HydrophobicContact CD1-CB 3.88Å; S467-N472 WeakPolarHBondContact CB-OD1 3.49Å; S467-N472 PolarHBondContact OG-ND2 3.39Å; S467-N472 PolarHBondContact OG-OD1 3.04Å; E469-N472 PolarHBondContact O-ND2 2.93Å
473	V	97.4	Very high	88.5	Confident	0 Å²	0	52.2 Å²	52.2	0%	0	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	133	179.4	-176.3	0	0	0	0	112	V412 V413 V414 A484 M485 F490 L495 F498	V412-V473 HydrophobicContact CG1-CG1 4.34Å; V413-V473 WeakPolarHBondContact O-CA 3.42Å; V413-V473 WeakPolarHBondContact O-CG1 3.33Å; V414-V473 HydrophobicContact CB-CG2 4.39Å; V414-V473 HydrophobicContact CG1-CG2 4.13Å; V414-V473 HydrophobicContact CG2-CG1 4.26Å; V414-V473 HydrophobicContact CG2-CG2 3.97Å; V473-A484 CarbonylContact O-C 3.52Å; V473-A484 VanDerWaalsContact O-CA 3.29Å; V473-A484 WeakPolarHBondContact O-CA 3.43Å; V473-M485 HydrophobicContact CB-CE 3.58Å; V473-M485 HydrophobicContact CB-CG 3.67Å; V473-M485 HydrophobicContact CB-SD 4.45Å; V473-M485 HydrophobicContact CG1-CE 3.95Å; V473-M485 HydrophobicContact CG1-CG 4.32Å; V473-M485 HydrophobicContact CG2-CE 3.31Å; V473-M485 HydrophobicContact CG2-CG 4.32Å; V473-M485 PolarHBondContact N-O 3.49Å; V473-M485 PolarHBondContact O-N 3.29Å; V473-F490 HydrophobicContact CG2-CD2 4.13Å; V473-F490 HydrophobicContact CG2-CE2 3.64Å; V473-F490 HydrophobicContact CG2-CZ 4.46Å; V473-L495 HydrophobicContact CG1-CD1 3.8Å; V473-L495 HydrophobicContact CG2-CD1 4.43Å; V473-F498 HydrophobicContact CG1-CD1 4.03Å; V473-F498 HydrophobicContact CG1-CE1 3.89Å
474	G	97.3	Very high	88.8	Confident	0 Å²	0	51 Å²	51	0%	0	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	145.9	175.1	0	0	0	0	0	112.6	V413 F483	V413-G474 PolarHBondContact N-O 2.9Å; V413-G474 PolarHBondContact O-N 3.02Å; G474-F483 CarbonylContact C-O 3.53Å; G474-F483 VanDerWaalsContact CA-O 3.27Å; G474-F483 WeakPolarHBondContact CA-O 3.41Å
475	I	98.4	Very high	89	Confident	0 Å²	0	51.9 Å²	51.9	0%	0	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	116.2	162.7	-59.3	173.2	0	0	0	107.7	P410 L411 V412 K482 F483 F498 F502 L507	P410-I475 HydrophobicContact CB-CG2 4.3Å; L411-I475 WeakPolarHBondContact O-CA 3.42Å; V412-I475 HydrophobicContact CG1-CG1 4.26Å; V412-I475 HydrophobicContact CG2-CG1 4.16Å; I475-K482 CarbonylContact O-C 3.46Å; I475-K482 WeakPolarHBondContact O-CA 3.49Å; I475-F483 HydrophobicContact CB-CB 4.2Å; I475-F483 HydrophobicContact CB-CD2 4.33Å; I475-F483 HydrophobicContact CG2-CD2 4.43Å; I475-F483 PolarHBondContact N-O 2.8Å; I475-F483 PolarHBondContact O-N 3.4Å; I475-F498 HydrophobicContact CD1-CD1 3.92Å; I475-F498 HydrophobicContact CD1-CE1 3.55Å; I475-F498 HydrophobicContact CD1-CZ 4.05Å; I475-F498 HydrophobicContact CG1-CD1 4.31Å; I475-F498 HydrophobicContact CG1-CE1 3.6Å; I475-F498 HydrophobicContact CG1-CZ 4.2Å; I475-F502 HydrophobicContact CD1-CB 3.51Å; I475-F502 HydrophobicContact CD1-CD1 3.95Å; I475-F502 HydrophobicContact CD1-CD2 4.06Å; I475-F502 HydrophobicContact CD1-CG 3.55Å; I475-F502 HydrophobicContact CG2-CD1 4.13Å; I475-F502 HydrophobicContact CG2-CD2 4.08Å; I475-F502 HydrophobicContact CG2-CE1 3.91Å; I475-F502 HydrophobicContact CG2-CE2 3.87Å; I475-F502 HydrophobicContact CG2-CG 4.22Å; I475-F502 HydrophobicContact CG2-CZ 3.78Å; I475-L507 HydrophobicContact CD1-CD1 4.5Å
476	L	97.3	Very high	89.1	Confident	9 Å²	9	53.1 Å²	53.1	5%	0.047	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	108.3	169.6	-50.3	-178	0	0	0	107.2	R409 P410 L411 E458 L462 K482	R409-L476 WeakPolarHBondContact CD-O 3.31Å; P410-L476 CarbonylContact C-O 3.6Å; P410-L476 WeakPolarHBondContact CA-O 3.4Å; L411-L476 HydrophobicContact CB-CB 4.38Å; L411-L476 HydrophobicContact CD2-CD1 4.26Å; L411-L476 PolarHBondContact N-O 3.1Å; L411-L476 PolarHBondContact O-N 3.31Å; E458-L476 WeakPolarHBondContact OE2-CD1 3.47Å; L462-L476 HydrophobicContact CD2-CD2 4.41Å; L476-K482 HydrophobicContact CD2-CD 4.3Å; L476-K482 HydrophobicContact CD2-CG 4.01Å
477	A	95.3	Very high	89.5	Confident	11 Å²	11	45.2 Å²	45.2	9%	0.091	28%	0.284	C	S	.	.			trans	-102.2	174.3	-175.6	0	0	0	0	0	112.2	K481 F483 F502	A477-K481 HydrophobicContact CB-CB 4.19Å; A477-K481 PolarHBondContact N-O 3.13Å; A477-F483 HydrophobicContact CB-CD2 4.28Å; A477-F483 HydrophobicContact CB-CE2 3.77Å; A477-F502 HydrophobicContact CB-CE2 3.92Å; A477-F502 HydrophobicContact CB-CZ 3.79Å
478	D	88.9	Confident	89.7	Confident	102 Å²	102	52.7 Å²	52.7	55%	0.545	32%	0.317	S	S	.	.	G	3₁₀ helix	trans	-59.7	152.7	174.9	-60.2	-69.9	0	0	0	112.2	R409 G480 K481	R409-D478 WeakPolarHBondContact CB-OD1 3.38Å; D478-G480 PolarHBondContact O-N 3.45Å; D478-K481 PolarHBondContact O-N 3.38Å
479	G	82.8	Confident	90.5	Very high	84 Å²	84	57.1 Å²	57.1	87%	0.866	32%	0.316	S	S	*	.	G	3₁₀ helix	trans	66.7	18.9	-178.9	0	0	0	0	0	114.2	K481	G479-K481 VanDerWaalsContact C-N 3.26Å; G479-K481 PolarHBondContact O-N 3.12Å
480	G	84.4	Confident	90.9	Very high	63 Å²	63	55.3 Å²	55.3	65%	0.649	31%	0.308	S	S	*	.	G	3₁₀ helix	trans	77.6	5.1	177.8	0	0	0	0	0	114.8	D478	D478-G480 PolarHBondContact O-N 3.45Å
481	K	89.6	Confident	91.5	Very high	110 Å²	110	51 Å²	51	48%	0.478	29%	0.289	S	S	.	.			trans	-65.9	140.2	177.2	-67.2	179.2	-177.8	-179.7	0	110.5	A477 D478 G479 F483 P509	A477-K481 HydrophobicContact CB-CB 4.19Å; A477-K481 PolarHBondContact N-O 3.13Å; D478-K481 PolarHBondContact O-N 3.38Å; G479-K481 VanDerWaalsContact C-N 3.26Å; G479-K481 PolarHBondContact O-N 3.12Å; K481-F483 HydrophobicContact CB-CE2 3.95Å; K481-F483 HydrophobicContact CB-CZ 4.34Å; K481-P509 HydrophobicContact CB-CB 4.41Å
482	K	94.2	Very high	91.7	Very high	63 Å²	63	51.5 Å²	51.5	27%	0.274	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	144.2	-179.7	-62.1	179.7	-178.5	175.9	0	110.3	S461 L462 I475 L476 P509 I510	S461-K482 PolarHBondContact OG-NZ 2.9Å; L462-K482 HydrophobicContact CD2-CB 3.74Å; L462-K482 HydrophobicContact CD2-CD 4.08Å; L462-K482 HydrophobicContact CD2-CG 4.29Å; I475-K482 CarbonylContact O-C 3.46Å; I475-K482 WeakPolarHBondContact O-CA 3.49Å; L476-K482 HydrophobicContact CD2-CD 4.3Å; L476-K482 HydrophobicContact CD2-CG 4.01Å; K482-P509 CarbonylContact O-C 3.47Å; K482-P509 VanDerWaalsContact O-CA 3.26Å; K482-P509 WeakPolarHBondContact O-CA 3.17Å; K482-I510 HydrophobicContact CB-CB 4.43Å; K482-I510 HydrophobicContact CB-CD1 4.1Å; K482-I510 PolarHBondContact O-N 3.4Å
483	F	95.9	Very high	91.8	Very high	16 Å²	16	58 Å²	58	7%	0.07	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	142.3	175.6	-53.1	-98.4	0	0	0	107.8	G474 I475 A477 K481 F498 F502 L507 Q508 P509	G474-F483 CarbonylContact C-O 3.53Å; G474-F483 VanDerWaalsContact CA-O 3.27Å; G474-F483 WeakPolarHBondContact CA-O 3.41Å; I475-F483 HydrophobicContact CB-CB 4.2Å; I475-F483 HydrophobicContact CB-CD2 4.33Å; I475-F483 HydrophobicContact CG2-CD2 4.43Å; I475-F483 PolarHBondContact N-O 2.8Å; I475-F483 PolarHBondContact O-N 3.4Å; A477-F483 HydrophobicContact CB-CD2 4.28Å; A477-F483 HydrophobicContact CB-CE2 3.77Å; K481-F483 HydrophobicContact CB-CE2 3.95Å; K481-F483 HydrophobicContact CB-CZ 4.34Å; F483-F498 HydrophobicContact CB-CZ 4.15Å; F483-F502 HydrophobicContact CD1-CD2 4.47Å; F483-F502 AromaticContact CD2-CD2 3.84Å; F483-F502 HydrophobicContact CD2-CD2 3.84Å; F483-F502 AromaticContact CD2-CE2 3.65Å; F483-F502 HydrophobicContact CD2-CE2 3.65Å; F483-F502 HydrophobicContact CE1-CD2 4.49Å; F483-F502 AromaticContact CE2-CD2 3.94Å; F483-F502 HydrophobicContact CE2-CD2 3.94Å; F483-F502 AromaticContact CE2-CE2 3.42Å; F483-F502 HydrophobicContact CE2-CE2 3.42Å; F483-F502 VanDerWaalsContact CE2-CE2 3.42Å; F483-F502 HydrophobicContact CG-CD2 4.14Å; F483-F502 HydrophobicContact CG-CE2 4.4Å; F483-F502 HydrophobicContact CZ-CD2 4.25Å; F483-F502 AromaticContact CZ-CE2 3.95Å; F483-F502 HydrophobicContact CZ-CE2 3.95Å; F483-L507 HydrophobicContact CB-CD1 4.13Å; F483-L507 HydrophobicContact CD1-CB 3.48Å; F483-L507 VanDerWaalsContact CD1-CB 3.48Å; F483-L507 HydrophobicContact CD1-CD1 4.24Å; F483-L507 HydrophobicContact CE1-CB 3.94Å; F483-L507 HydrophobicContact CG-CB 4.39Å; F483-L507 HydrophobicContact CG-CD1 4.38Å; F483-Q508 VanDerWaalsContact CD1-O 3.31Å; F483-Q508 WeakPolarHBondContact CD1-O 3.44Å; F483-P509 HydrophobicContact CE1-CB 3.95Å; F483-P509 HydrophobicContact CZ-CB 3.99Å
484	A	94.8	Very high	91.8	Very high	32 Å²	32	60.3 Å²	60.3	26%	0.264	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	151.3	179.5	0	0	0	0	0	110.7	L462 L464 V473 I510	L462-A484 HydrophobicContact CB-CB 4.24Å; L462-A484 HydrophobicContact CD2-CB 4.46Å; L464-A484 HydrophobicContact CD1-CB 3.77Å; L464-A484 HydrophobicContact CD2-CB 4.19Å; L464-A484 HydrophobicContact CG-CB 4.02Å; V473-A484 CarbonylContact O-C 3.52Å; V473-A484 VanDerWaalsContact O-CA 3.29Å; V473-A484 WeakPolarHBondContact O-CA 3.43Å; A484-I510 HydrophobicContact CB-CD1 3.48Å; A484-I510 VanDerWaalsContact CB-CD1 3.48Å; A484-I510 HydrophobicContact CB-CG1 4.39Å
485	M	92	Very high	91.9	Very high	26 Å²	26	60.3 Å²	60.3	13%	0.128	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	145.7	160.3	65.8	167.8	-165.5	0	0	109.7	V473 P487 F490 V494 L495 F498	V473-M485 HydrophobicContact CB-CE 3.58Å; V473-M485 HydrophobicContact CB-CG 3.67Å; V473-M485 HydrophobicContact CB-SD 4.45Å; V473-M485 HydrophobicContact CG1-CE 3.95Å; V473-M485 HydrophobicContact CG1-CG 4.32Å; V473-M485 HydrophobicContact CG2-CE 3.31Å; V473-M485 HydrophobicContact CG2-CG 4.32Å; V473-M485 PolarHBondContact N-O 3.49Å; V473-M485 PolarHBondContact O-N 3.29Å; M485-P487 HydrophobicContact CE-CG 4.3Å; M485-F490 HydrophobicContact CE-CD2 4.1Å; M485-F490 HydrophobicContact CE-CE2 3.9Å; M485-V494 HydrophobicContact CE-CG1 4.22Å; M485-V494 HydrophobicContact SD-CG1 4.08Å; M485-L495 HydrophobicContact CE-CB 4.25Å; M485-L495 HydrophobicContact CE-CD1 3.98Å; M485-F498 HydrophobicContact CB-CD1 4.48Å; M485-F498 HydrophobicContact CB-CD2 3.81Å; M485-F498 HydrophobicContact CB-CE1 4.42Å; M485-F498 HydrophobicContact CB-CE2 3.75Å; M485-F498 HydrophobicContact CB-CG 4.19Å; M485-F498 HydrophobicContact CB-CZ 4.1Å; M485-F498 HydrophobicContact CE-CB 4.3Å; M485-F498 HydrophobicContact CE-CD1 4.31Å; M485-F498 HydrophobicContact CE-CG 4.49Å; M485-F498 HydrophobicContact CG-CB 4.39Å; M485-F498 HydrophobicContact CG-CD1 3.8Å; M485-F498 HydrophobicContact CG-CD2 3.98Å; M485-F498 HydrophobicContact CG-CE1 3.93Å; M485-F498 HydrophobicContact CG-CE2 4.12Å; M485-F498 HydrophobicContact CG-CG 3.82Å; M485-F498 HydrophobicContact CG-CZ 4.11Å; M485-F498 HydrophobicContact SD-CB 3.38Å; M485-F498 WeakPolarHBondContact SD-CB 3.37Å; M485-F498 HydrophobicContact SD-CD1 3.76Å; M485-F498 HydrophobicContact SD-CD2 4Å; M485-F498 HydrophobicContact SD-CE1 4.49Å; M485-F498 HydrophobicContact SD-CG 3.47Å; M485-F498 WeakPolarHBondContact SD-CG 3.29Å
486	E	83.7	Confident	91.9	Very high	99 Å²	99	63.9 Å²	63.9	46%	0.463	35%	0.351	S	S	.	.			trans	-123	85.1	178.3	-179.1	-178.4	175.7	0	0	106.9	L464 S467 E469	L464-E486 HydrophobicContact CD2-CB 3.89Å; L464-E486 HydrophobicContact CD2-CG 4.47Å; S467-E486 WeakPolarHBondContact CA-OE1 3.32Å; S467-E486 WeakPolarHBondContact CB-OE1 3.38Å; E469-E486 HydrophobicContact CG-CG 3.6Å
487	P	81.3	Confident	91.9	Very high	16 Å²	16	70.2 Å²	70.2	10%	0.104	38%	0.38	C	S	.	.			trans	-84.6	126.9	-176.7	31.9	-30.9	0	0	0	111	M485 E489 F490 V494	M485-P487 HydrophobicContact CE-CG 4.3Å; P487-E489 PolarHBondContact O-N 3.22Å; P487-F490 HydrophobicContact CG-CB 4.1Å; P487-F490 HydrophobicContact CG-CD2 3.96Å; P487-V494 HydrophobicContact CB-CG1 3.86Å
488	E	81.2	Confident	92.1	Very high	177 Å²	177	70.5 Å²	70.5	83%	0.827	38%	0.379	S	S	*	.	S	Bend	trans	-57.5	-35	171.9	-64.6	-178.9	179.3	0	0	111.9
489	E	88.6	Confident	92.5	Very high	172 Å²	172	65.6 Å²	65.6	80%	0.804	35%	0.354	S	S	*	.	S	Bend	trans	-129.7	118.8	171.1	-68.2	-172.3	175.5	0	0	109.6	P487	P487-E489 PolarHBondContact O-N 3.22Å
490	F	94	Very high	93.3	Very high	21 Å²	21	63.6 Å²	63.6	9%	0.092	32%	0.324	C	S	.	.			trans	-93.2	128.1	180	-179.9	-102.1	0	0	0	112.8	V414 W431 K434 V435 V471 V473 M485 P487 L495	V414-F490 HydrophobicContact CG1-CE1 4.12Å; V414-F490 HydrophobicContact CG1-CE2 4.3Å; V414-F490 HydrophobicContact CG1-CZ 3.76Å; V414-F490 HydrophobicContact CG2-CZ 4.21Å; W431-F490 AromaticContact CE3-CD1 3.57Å; W431-F490 HydrophobicContact CE3-CD1 3.57Å; W431-F490 HydrophobicContact CE3-CE1 4.08Å; W431-F490 HydrophobicContact CZ3-CB 4.27Å; W431-F490 AromaticContact CZ3-CD1 3.63Å; W431-F490 HydrophobicContact CZ3-CD1 3.63Å; W431-F490 HydrophobicContact CZ3-CG 4.44Å; W431-F490 WeakPolarHBondContact CZ3-O 3.49Å; K434-F490 HydrophobicContact CB-CE1 4.09Å; V435-F490 HydrophobicContact CG2-CZ 4.44Å; V471-F490 HydrophobicContact CB-CB 3.85Å; V471-F490 HydrophobicContact CB-CD1 4.14Å; V471-F490 HydrophobicContact CB-CD2 4.5Å; V471-F490 HydrophobicContact CB-CG 3.91Å; V471-F490 HydrophobicContact CG1-CB 4.12Å; V471-F490 HydrophobicContact CG1-CD1 3.67Å; V471-F490 HydrophobicContact CG1-CD2 3.87Å; V471-F490 HydrophobicContact CG1-CE1 3.99Å; V471-F490 HydrophobicContact CG1-CE2 4.18Å; V471-F490 HydrophobicContact CG1-CG 3.59Å; V471-F490 HydrophobicContact CG1-CZ 4.23Å; V471-F490 HydrophobicContact CG2-CB 4.23Å; V471-F490 HydrophobicContact CG2-CD1 4.15Å; V471-F490 HydrophobicContact CG2-CG 4.34Å; V473-F490 HydrophobicContact CG2-CD2 4.13Å; V473-F490 HydrophobicContact CG2-CE2 3.64Å; V473-F490 HydrophobicContact CG2-CZ 4.46Å; M485-F490 HydrophobicContact CE-CD2 4.1Å; M485-F490 HydrophobicContact CE-CE2 3.9Å; P487-F490 HydrophobicContact CG-CB 4.1Å; P487-F490 HydrophobicContact CG-CD2 3.96Å; F490-L495 HydrophobicContact CE2-CB 3.91Å; F490-L495 HydrophobicContact CE2-CD1 4.45Å; F490-L495 HydrophobicContact CZ-CB 4.22Å; F490-L495 HydrophobicContact CZ-CD2 4.13Å
491	D	96.1	Very high	93.9	Very high	60 Å²	60	61.6 Å²	61.6	32%	0.321	30%	0.302	S	S	.	.			trans	-150.6	-175.8	168	75.8	15.9	0	0	0	113.6	E493 V494 L495	D491-E493 VanDerWaalsContact C-N 3.32Å; D491-E493 PolarHBondContact O-N 3.28Å; D491-E493 WeakPolarHBondContact OD1-CA 3.2Å; D491-E493 WeakPolarHBondContact OD1-CB 3.46Å; D491-E493 PolarHBondContact OD1-N 3.02Å; D491-V494 WeakPolarHBondContact OD1-CG2 3.22Å; D491-V494 PolarHBondContact OD1-N 3.2Å; D491-L495 WeakPolarHBondContact O-CB 3.4Å; D491-L495 PolarHBondContact O-N 3.05Å; D491-L495 VanDerWaalsContact O-N 3.13Å
492	S	97.8	Very high	94.3	Very high	17 Å²	17	57.8 Å²	57.8	12%	0.119	29%	0.285	C	S	.	.	H	α-helix	trans	-66.7	-29.3	-179.9	-47.9	0	0	0	0	113.4	K434 D437 V438 R496	K434-S492 WeakPolarHBondContact CA-OG 3.45Å; K434-S492 WeakPolarHBondContact CD-OG 3.41Å; K434-S492 PolarHBondContact O-OG 3.43Å; D437-S492 PolarHBondContact OD2-OG 3.41Å; V438-S492 WeakPolarHBondContact CG2-O 3.48Å; S492-R496 WeakPolarHBondContact O-CB 3.1Å; S492-R496 PolarHBondContact O-N 3.44Å; S492-R496 VanDerWaalsContact O-N 3.12Å
493	E	97.7	Very high	94.4	Very high	141 Å²	141	60.2 Å²	60.2	66%	0.659	30%	0.296	S	S	*	.	H	α-helix	trans	-74.7	-47.8	-179.9	-64.6	-169.5	169.6	0	0	109.9	D491 L495 R496 E497	D491-E493 VanDerWaalsContact C-N 3.32Å; D491-E493 PolarHBondContact O-N 3.28Å; D491-E493 WeakPolarHBondContact OD1-CA 3.2Å; D491-E493 WeakPolarHBondContact OD1-CB 3.46Å; D491-E493 PolarHBondContact OD1-N 3.02Å; E493-L495 PolarHBondContact O-N 3.19Å; E493-R496 WeakPolarHBondContact O-CB 3.34Å; E493-R496 PolarHBondContact O-N 2.89Å; E493-R496 VanDerWaalsContact O-N 3.1Å; E493-E497 WeakPolarHBondContact O-CG 3.36Å; E493-E497 PolarHBondContact O-N 2.89Å
494	V	97.4	Very high	94.5	Very high	47 Å²	47	66.1 Å²	66.1	29%	0.285	32%	0.321	S	S	.	.	H	α-helix	trans	-59	-48	176.9	177.4	0	0	0	0	111	M485 P487 D491 R496 E497 F498	M485-V494 HydrophobicContact CE-CG1 4.22Å; M485-V494 HydrophobicContact SD-CG1 4.08Å; P487-V494 HydrophobicContact CB-CG1 3.86Å; D491-V494 WeakPolarHBondContact OD1-CG2 3.22Å; D491-V494 PolarHBondContact OD1-N 3.2Å; V494-R496 VanDerWaalsContact C-N 3.31Å; V494-R496 PolarHBondContact O-N 3.37Å; V494-E497 PolarHBondContact O-N 3.32Å; V494-F498 PolarHBondContact O-N 2.94Å; V494-F498 VanDerWaalsContact O-N 3.12Å
495	L	98.4	Very high	94.5	Very high	0 Å²	0	67.5 Å²	67.5	0%	0	34%	0.339	C	S	.	.	H	α-helix	trans	-60.2	-41.4	175.7	177.7	62.9	0	0	0	111.9	V412 V414 V435 V438 V473 M485 F490 D491 E493 F498 V499	V412-L495 HydrophobicContact CG1-CD1 4.26Å; V414-L495 HydrophobicContact CG2-CD1 4.33Å; V414-L495 HydrophobicContact CG2-CD2 4.3Å; V435-L495 HydrophobicContact CB-CD2 4.29Å; V435-L495 HydrophobicContact CG1-CD2 4.09Å; V435-L495 HydrophobicContact CG2-CD2 4.32Å; V438-L495 HydrophobicContact CB-CD2 3.97Å; V438-L495 HydrophobicContact CB-CG 4.27Å; V438-L495 HydrophobicContact CG1-CD2 4.39Å; V438-L495 HydrophobicContact CG1-CG 4.22Å; V438-L495 HydrophobicContact CG2-CB 4.1Å; V438-L495 HydrophobicContact CG2-CD2 3.84Å; V438-L495 HydrophobicContact CG2-CG 4.02Å; V473-L495 HydrophobicContact CG1-CD1 3.8Å; V473-L495 HydrophobicContact CG2-CD1 4.43Å; M485-L495 HydrophobicContact CE-CB 4.25Å; M485-L495 HydrophobicContact CE-CD1 3.98Å; F490-L495 HydrophobicContact CE2-CB 3.91Å; F490-L495 HydrophobicContact CE2-CD1 4.45Å; F490-L495 HydrophobicContact CZ-CB 4.22Å; F490-L495 HydrophobicContact CZ-CD2 4.13Å; D491-L495 WeakPolarHBondContact O-CB 3.4Å; D491-L495 PolarHBondContact O-N 3.05Å; D491-L495 VanDerWaalsContact O-N 3.13Å; E493-L495 PolarHBondContact O-N 3.19Å; L495-F498 PolarHBondContact O-N 3.44Å; L495-V499 HydrophobicContact CD1-CG2 4.2Å; L495-V499 WeakPolarHBondContact O-CG2 3.31Å; L495-V499 PolarHBondContact O-N 2.66Å
496	R	98.6	Very high	94.7	Very high	76 Å²	76	73.3 Å²	73.3	29%	0.287	36%	0.364	S	S	.	.	H	α-helix	trans	-63.8	-44.3	178.8	179.1	-179.7	-58.5	-75.8	-0.8	111.6	D437 V438 D441 S492 E493 V494 F498 V499 V500	D437-R496 PolarHBondContact O-NH2 3.36Å; V438-R496 HydrophobicContact CG1-CB 4.11Å; V438-R496 HydrophobicContact CG2-CB 4.12Å; D441-R496 IonicContact OD2-CZ 3.42Å; D441-R496 IonicContact OD2-NH1 3.66Å; D441-R496 PolarHBondContact OD2-NH1 3.4Å; D441-R496 IonicContact OD2-NH2 2.7Å; D441-R496 PolarHBondContact OD2-NH2 3.09Å; S492-R496 WeakPolarHBondContact O-CB 3.1Å; S492-R496 PolarHBondContact O-N 3.44Å; S492-R496 VanDerWaalsContact O-N 3.12Å; E493-R496 WeakPolarHBondContact O-CB 3.34Å; E493-R496 PolarHBondContact O-N 2.89Å; E493-R496 VanDerWaalsContact O-N 3.1Å; V494-R496 VanDerWaalsContact C-N 3.31Å; V494-R496 PolarHBondContact O-N 3.37Å; R496-F498 VanDerWaalsContact C-N 3.3Å; R496-F498 PolarHBondContact O-N 3.32Å; R496-V499 PolarHBondContact O-N 2.87Å; R496-V500 HydrophobicContact CG-CG2 4.28Å; R496-V500 WeakPolarHBondContact O-CB 3.4Å; R496-V500 VanDerWaalsContact O-CG2 3.22Å; R496-V500 WeakPolarHBondContact O-CG2 3.3Å; R496-V500 PolarHBondContact O-N 3.47Å
497	E	98	Very high	95.2	Very high	142 Å²	142	70.6 Å²	70.6	66%	0.664	35%	0.352	S	S	*	.	H	α-helix	trans	-59.4	-43.4	177.8	-72.4	-171.7	169.9	0	0	111.6	E493 V494 V500 A501	E493-E497 WeakPolarHBondContact O-CG 3.36Å; E493-E497 PolarHBondContact O-N 2.89Å; V494-E497 PolarHBondContact O-N 3.32Å; E497-V500 PolarHBondContact O-N 3.35Å; E497-A501 WeakPolarHBondContact O-CB 3.44Å; E497-A501 PolarHBondContact O-N 2.89Å
498	F	98.1	Very high	95.5	Very high	16 Å²	16	77.4 Å²	77.4	7%	0.07	38%	0.382	C	S	.	.	H	α-helix	trans	-61.8	-48.8	176.4	-178.1	-119.9	0	0	0	112.7	V473 I475 F483 M485 V494 L495 R496 V500 A501 F502 L507	V473-F498 HydrophobicContact CG1-CD1 4.03Å; V473-F498 HydrophobicContact CG1-CE1 3.89Å; I475-F498 HydrophobicContact CD1-CD1 3.92Å; I475-F498 HydrophobicContact CD1-CE1 3.55Å; I475-F498 HydrophobicContact CD1-CZ 4.05Å; I475-F498 HydrophobicContact CG1-CD1 4.31Å; I475-F498 HydrophobicContact CG1-CE1 3.6Å; I475-F498 HydrophobicContact CG1-CZ 4.2Å; F483-F498 HydrophobicContact CB-CZ 4.15Å; M485-F498 HydrophobicContact CB-CD1 4.48Å; M485-F498 HydrophobicContact CB-CD2 3.81Å; M485-F498 HydrophobicContact CB-CE1 4.42Å; M485-F498 HydrophobicContact CB-CE2 3.75Å; M485-F498 HydrophobicContact CB-CG 4.19Å; M485-F498 HydrophobicContact CB-CZ 4.1Å; M485-F498 HydrophobicContact CE-CB 4.3Å; M485-F498 HydrophobicContact CE-CD1 4.31Å; M485-F498 HydrophobicContact CE-CG 4.49Å; M485-F498 HydrophobicContact CG-CB 4.39Å; M485-F498 HydrophobicContact CG-CD1 3.8Å; M485-F498 HydrophobicContact CG-CD2 3.98Å; M485-F498 HydrophobicContact CG-CE1 3.93Å; M485-F498 HydrophobicContact CG-CE2 4.12Å; M485-F498 HydrophobicContact CG-CG 3.82Å; M485-F498 HydrophobicContact CG-CZ 4.11Å; M485-F498 HydrophobicContact SD-CB 3.38Å; M485-F498 WeakPolarHBondContact SD-CB 3.37Å; M485-F498 HydrophobicContact SD-CD1 3.76Å; M485-F498 HydrophobicContact SD-CD2 4Å; M485-F498 HydrophobicContact SD-CE1 4.49Å; M485-F498 HydrophobicContact SD-CG 3.47Å; M485-F498 WeakPolarHBondContact SD-CG 3.29Å; V494-F498 PolarHBondContact O-N 2.94Å; V494-F498 VanDerWaalsContact O-N 3.12Å; L495-F498 PolarHBondContact O-N 3.44Å; R496-F498 VanDerWaalsContact C-N 3.3Å; R496-F498 PolarHBondContact O-N 3.32Å; F498-V500 VanDerWaalsContact C-N 3.32Å; F498-V500 PolarHBondContact O-N 3.26Å; F498-A501 PolarHBondContact O-N 2.92Å; F498-F502 PolarHBondContact O-N 3Å; F498-L507 HydrophobicContact CD2-CD1 3.62Å; F498-L507 HydrophobicContact CD2-CD2 4.06Å; F498-L507 HydrophobicContact CD2-CG 4.49Å; F498-L507 HydrophobicContact CE2-CD1 3.29Å; F498-L507 HydrophobicContact CE2-CD2 4.1Å; F498-L507 HydrophobicContact CE2-CG 4.33Å; F498-L507 HydrophobicContact CG-CD1 4.44Å; F498-L507 HydrophobicContact CZ-CD1 3.88Å
499	V	98.4	Very high	95.9	Very high	0 Å²	0	71.2 Å²	71.2	0%	0	36%	0.358	C	S	.	.	H	α-helix	trans	-64.1	-37.5	177.3	176.7	0	0	0	0	111.5	V412 V438 F442 Y445 F447 L495 R496 F502 K503	V412-V499 HydrophobicContact CG1-CG2 4.16Å; V412-V499 HydrophobicContact CG2-CG2 4.32Å; V438-V499 HydrophobicContact CG1-CG2 4.5Å; F442-V499 HydrophobicContact CD1-CG1 3.76Å; F442-V499 HydrophobicContact CD2-CG1 3.89Å; F442-V499 HydrophobicContact CE1-CG1 3.79Å; F442-V499 HydrophobicContact CE2-CB 4.4Å; F442-V499 HydrophobicContact CE2-CG1 3.93Å; F442-V499 HydrophobicContact CG-CG1 3.82Å; F442-V499 HydrophobicContact CZ-CB 4.41Å; F442-V499 HydrophobicContact CZ-CG1 3.89Å; Y445-V499 HydrophobicContact CD2-CG1 3.9Å; Y445-V499 HydrophobicContact CE2-CG1 3.85Å; F447-V499 HydrophobicContact CE1-CG2 4.13Å; F447-V499 HydrophobicContact CZ-CG1 4.26Å; F447-V499 HydrophobicContact CZ-CG2 4.26Å; L495-V499 HydrophobicContact CD1-CG2 4.2Å; L495-V499 WeakPolarHBondContact O-CG2 3.31Å; L495-V499 PolarHBondContact O-N 2.66Å; R496-V499 PolarHBondContact O-N 2.87Å; V499-F502 PolarHBondContact O-N 3.15Å; V499-K503 WeakPolarHBondContact O-CB 3.35Å; V499-K503 PolarHBondContact O-N 3.06Å
500	V	98.5	Very high	95.9	Very high	42 Å²	42	65.3 Å²	65.3	26%	0.255	33%	0.331	S	S	.	.	H	α-helix	trans	-66.2	-41.3	174.3	168.5	0	0	0	0	111.4	F442 R496 E497 F498 F502 K503 K504	F442-V500 HydrophobicContact CE1-CG2 4.28Å; F442-V500 HydrophobicContact CZ-CG2 3.75Å; R496-V500 HydrophobicContact CG-CG2 4.28Å; R496-V500 WeakPolarHBondContact O-CB 3.4Å; R496-V500 VanDerWaalsContact O-CG2 3.22Å; R496-V500 WeakPolarHBondContact O-CG2 3.3Å; R496-V500 PolarHBondContact O-N 3.47Å; E497-V500 PolarHBondContact O-N 3.35Å; F498-V500 VanDerWaalsContact C-N 3.32Å; F498-V500 PolarHBondContact O-N 3.26Å; V500-F502 VanDerWaalsContact C-N 3.35Å; V500-K503 PolarHBondContact O-N 3.36Å; V500-K504 HydrophobicContact CG1-CD 3.82Å; V500-K504 HydrophobicContact CG1-CG 4.45Å; V500-K504 WeakPolarHBondContact O-CB 3.44Å; V500-K504 VanDerWaalsContact O-CG 3.29Å; V500-K504 WeakPolarHBondContact O-CG 3.39Å; V500-K504 PolarHBondContact O-N 3.02Å
501	A	98.1	Very high	95.4	Very high	21 Å²	21	67 Å²	67	17%	0.174	34%	0.34	C	S	.	.	H	α-helix	trans	-63.4	-42.4	176.5	0	0	0	0	0	111	E497 F498 K504 G505 K506 L507	E497-A501 WeakPolarHBondContact O-CB 3.44Å; E497-A501 PolarHBondContact O-N 2.89Å; F498-A501 PolarHBondContact O-N 2.92Å; A501-K504 CarbonylContact O-C 3.49Å; A501-K504 PolarHBondContact O-N 2.84Å; A501-G505 PolarHBondContact O-N 3.15Å; A501-K506 HydrophobicContact CB-CB 4.29Å; A501-K506 PolarHBondContact O-N 3.5Å; A501-L507 HydrophobicContact CB-CD2 3.68Å; A501-L507 HydrophobicContact CB-CG 3.95Å
502	F	97.8	Very high	94.8	Very high	29 Å²	29	69.6 Å²	69.6	13%	0.127	35%	0.349	C	S	.	.	H	α-helix	trans	-58.7	-52.8	172.7	176.1	-108.5	0	0	0	111.5	P410 Y445 I475 A477 F483 F498 V499 V500 K504 G505 L507	P410-F502 HydrophobicContact CB-CE1 3.77Å; P410-F502 HydrophobicContact CB-CZ 4Å; P410-F502 HydrophobicContact CG-CE1 3.8Å; P410-F502 HydrophobicContact CG-CZ 3.97Å; Y445-F502 HydrophobicContact CE1-CE1 4.32Å; Y445-F502 HydrophobicContact CE2-CD1 4.15Å; Y445-F502 HydrophobicContact CE2-CE1 4.41Å; Y445-F502 AromaticContact CZ-CE1 4Å; I475-F502 HydrophobicContact CD1-CB 3.51Å; I475-F502 HydrophobicContact CD1-CD1 3.95Å; I475-F502 HydrophobicContact CD1-CD2 4.06Å; I475-F502 HydrophobicContact CD1-CG 3.55Å; I475-F502 HydrophobicContact CG2-CD1 4.13Å; I475-F502 HydrophobicContact CG2-CD2 4.08Å; I475-F502 HydrophobicContact CG2-CE1 3.91Å; I475-F502 HydrophobicContact CG2-CE2 3.87Å; I475-F502 HydrophobicContact CG2-CG 4.22Å; I475-F502 HydrophobicContact CG2-CZ 3.78Å; A477-F502 HydrophobicContact CB-CE2 3.92Å; A477-F502 HydrophobicContact CB-CZ 3.79Å; F483-F502 HydrophobicContact CD1-CD2 4.47Å; F483-F502 AromaticContact CD2-CD2 3.84Å; F483-F502 HydrophobicContact CD2-CD2 3.84Å; F483-F502 AromaticContact CD2-CE2 3.65Å; F483-F502 HydrophobicContact CD2-CE2 3.65Å; F483-F502 HydrophobicContact CE1-CD2 4.49Å; F483-F502 AromaticContact CE2-CD2 3.94Å; F483-F502 HydrophobicContact CE2-CD2 3.94Å; F483-F502 AromaticContact CE2-CE2 3.42Å; F483-F502 HydrophobicContact CE2-CE2 3.42Å; F483-F502 VanDerWaalsContact CE2-CE2 3.42Å; F483-F502 HydrophobicContact CG-CD2 4.14Å; F483-F502 HydrophobicContact CG-CE2 4.4Å; F483-F502 HydrophobicContact CZ-CD2 4.25Å; F483-F502 AromaticContact CZ-CE2 3.95Å; F483-F502 HydrophobicContact CZ-CE2 3.95Å; F498-F502 PolarHBondContact O-N 3Å; V499-F502 PolarHBondContact O-N 3.15Å; V500-F502 VanDerWaalsContact C-N 3.35Å; F502-K504 PolarHBondContact O-N 3.28Å; F502-K504 VanDerWaalsContact O-N 3.17Å; F502-G505 PolarHBondContact O-N 2.98Å; F502-L507 HydrophobicContact CB-CD1 3.65Å; F502-L507 HydrophobicContact CB-CG 4.37Å; F502-L507 HydrophobicContact CD2-CD1 4.42Å
503	K	97.3	Very high	94.3	Very high	114 Å²	114	70.2 Å²	70.2	50%	0.496	35%	0.353	S	S	.	.	H	α-helix	trans	-57.5	-32	178.3	-176.7	168.8	178.7	167.5	0	112.9	F442 E444 Y445 V499 V500 G505	F442-K503 HydrophobicContact CD1-CD 4.28Å; F442-K503 HydrophobicContact CE1-CD 4.12Å; E444-K503 WeakPolarHBondContact OE1-CE 3.35Å; E444-K503 IonicContact OE1-NZ 3.82Å; E444-K503 PolarHBondContact OE1-NZ 3.4Å; Y445-K503 HydrophobicContact CE2-CB 4.47Å; Y445-K503 WeakPolarHBondContact OH-CB 3.48Å; V499-K503 WeakPolarHBondContact O-CB 3.35Å; V499-K503 PolarHBondContact O-N 3.06Å; V500-K503 PolarHBondContact O-N 3.36Å; K503-G505 VanDerWaalsContact C-N 3.33Å
504	K	97.4	Very high	94	Very high	140 Å²	140	66.8 Å²	66.8	61%	0.609	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.7	2	176.9	-70.8	175.2	179.8	170.5	0	113.7	V500 A501 F502 K506	V500-K504 HydrophobicContact CG1-CD 3.82Å; V500-K504 HydrophobicContact CG1-CG 4.45Å; V500-K504 WeakPolarHBondContact O-CB 3.44Å; V500-K504 VanDerWaalsContact O-CG 3.29Å; V500-K504 WeakPolarHBondContact O-CG 3.39Å; V500-K504 PolarHBondContact O-N 3.02Å; A501-K504 CarbonylContact O-C 3.49Å; A501-K504 PolarHBondContact O-N 2.84Å; F502-K504 PolarHBondContact O-N 3.28Å; F502-K504 VanDerWaalsContact O-N 3.17Å; K504-K506 HydrophobicContact CB-CD 4.32Å; K504-K506 HydrophobicContact CB-CG 4Å; K504-K506 PolarHBondContact O-N 3.32Å
505	G	94.4	Very high	93.5	Very high	62 Å²	62	70 Å²	70	64%	0.639	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.6	24.4	-177.7	0	0	0	0	0	113.9	A501 F502 K503	A501-G505 PolarHBondContact O-N 3.15Å; F502-G505 PolarHBondContact O-N 2.98Å; K503-G505 VanDerWaalsContact C-N 3.33Å
506	K	96.1	Very high	93.2	Very high	148 Å²	148	73.9 Å²	73.9	64%	0.643	38%	0.383	S	S	*	.			trans	-88	-17.7	-177.2	-67.7	-171.9	173.5	-167.3	0	113.6	A501 K504	A501-K506 HydrophobicContact CB-CB 4.29Å; A501-K506 PolarHBondContact O-N 3.5Å; K504-K506 HydrophobicContact CB-CD 4.32Å; K504-K506 HydrophobicContact CB-CG 4Å; K504-K506 PolarHBondContact O-N 3.32Å
507	L	93.6	Very high	92.8	Very high	42 Å²	42	72.1 Å²	72.1	22%	0.22	38%	0.381	C	S	.	.	S	Bend	trans	-82.6	146.6	178.1	-57.9	-177.5	0	0	0	110.9	I475 F483 F498 A501 F502	I475-L507 HydrophobicContact CD1-CD1 4.5Å; F483-L507 HydrophobicContact CB-CD1 4.13Å; F483-L507 HydrophobicContact CD1-CB 3.48Å; F483-L507 VanDerWaalsContact CD1-CB 3.48Å; F483-L507 HydrophobicContact CD1-CD1 4.24Å; F483-L507 HydrophobicContact CE1-CB 3.94Å; F483-L507 HydrophobicContact CG-CB 4.39Å; F483-L507 HydrophobicContact CG-CD1 4.38Å; F498-L507 HydrophobicContact CD2-CD1 3.62Å; F498-L507 HydrophobicContact CD2-CD2 4.06Å; F498-L507 HydrophobicContact CD2-CG 4.49Å; F498-L507 HydrophobicContact CE2-CD1 3.29Å; F498-L507 HydrophobicContact CE2-CD2 4.1Å; F498-L507 HydrophobicContact CE2-CG 4.33Å; F498-L507 HydrophobicContact CG-CD1 4.44Å; F498-L507 HydrophobicContact CZ-CD1 3.88Å; A501-L507 HydrophobicContact CB-CD2 3.68Å; A501-L507 HydrophobicContact CB-CG 3.95Å; F502-L507 HydrophobicContact CB-CD1 3.65Å; F502-L507 HydrophobicContact CB-CG 4.37Å; F502-L507 HydrophobicContact CD2-CD1 4.42Å
508	Q	87.5	Confident	92.4	Very high	158 Å²	158	76.2 Å²	76.2	74%	0.738	40%	0.396	S	S	*	.	P	Polyproline II helix	trans	-94.2	136.9	170.7	-62.1	-56.7	-37.7	0	0	109.7	F483	F483-Q508 VanDerWaalsContact CD1-O 3.31Å; F483-Q508 WeakPolarHBondContact CD1-O 3.44Å
509	P	89.9	Confident	91.9	Very high	48 Å²	48	81.2 Å²	81.2	31%	0.312	42%	0.424	S	S	.	.	P	Polyproline II helix	trans	-67.9	149	176.5	29.4	-33.8	0	0	0	110.6	K481 K482 F483	K481-P509 HydrophobicContact CB-CB 4.41Å; K482-P509 CarbonylContact O-C 3.47Å; K482-P509 VanDerWaalsContact O-CA 3.26Å; K482-P509 WeakPolarHBondContact O-CA 3.17Å; F483-P509 HydrophobicContact CE1-CB 3.95Å; F483-P509 HydrophobicContact CZ-CB 3.99Å
510	I	87.9	Confident	91.5	Very high	47 Å²	47	83.3 Å²	83.3	24%	0.241	44%	0.435	C	S	.	.	P	Polyproline II helix	trans	-68.5	130.8	170.9	-59.9	161	0	0	0	108	L462 K482 A484	L462-I510 HydrophobicContact CB-CD1 4.06Å; L462-I510 HydrophobicContact CD2-CD1 3.57Å; L462-I510 HydrophobicContact CG-CD1 4.44Å; L462-I510 WeakPolarHBondContact O-CD1 3.42Å; K482-I510 HydrophobicContact CB-CB 4.43Å; K482-I510 HydrophobicContact CB-CD1 4.1Å; K482-I510 PolarHBondContact O-N 3.4Å; A484-I510 HydrophobicContact CB-CD1 3.48Å; A484-I510 VanDerWaalsContact CB-CD1 3.48Å; A484-I510 HydrophobicContact CB-CG1 4.39Å
511	I	83.8	Confident	90.9	Very high	56 Å²	56	90.3 Å²	90.3	29%	0.287	46%	0.462	S	S	.	.	P	Polyproline II helix	trans	-102.5	118.9	178.8	-65.1	162.2	0	0	0	107.5	S513 D586 P588	I511-S513 PolarHBondContact O-N 2.95Å; I511-D586 HydrophobicContact CG2-CB 4.04Å; I511-P588 HydrophobicContact CD1-CB 3.73Å; I511-P588 HydrophobicContact CD1-CG 3.77Å; I511-P588 HydrophobicContact CG1-CB 4.35Å; I511-P588 HydrophobicContact CG1-CG 4.29Å; I511-P588 HydrophobicContact CG2-CG 3.82Å
512	K	84.2	Confident	90.4	Very high	116 Å²	116	91.2 Å²	91.2	50%	0.504	47%	0.473	S	S	.	.	P	Polyproline II helix	trans	-58.8	124.5	169.4	-173.1	-172.9	176.6	-171.5	0	108.5	T583 N585 D586	K512-T583 PolarHBondContact NZ-O 2.92Å; K512-N585 CarbonylContact O-C 3.51Å; K512-N585 WeakPolarHBondContact O-CA 3.14Å; K512-D586 HydrophobicContact CB-CB 4.18Å; K512-D586 WeakPolarHBondContact CB-OD2 3.39Å; K512-D586 PolarHBondContact N-OD2 2.83Å; K512-D586 PolarHBondContact O-N 3.14Å
513	S	88	Confident	90.2	Very high	30 Å²	30	92 Å²	92	21%	0.21	48%	0.482	C	S	.	.			trans	-146	135.2	-178.8	-177.3	0	0	0	0	109.9	I511 V528 G529 K530 N585	I511-S513 PolarHBondContact O-N 2.95Å; S513-V528 WeakPolarHBondContact OG-CB 3.48Å; S513-V528 WeakPolarHBondContact OG-CG2 3.22Å; S513-G529 PolarHBondContact OG-N 2.97Å; S513-G529 VanDerWaalsContact OG-N 3.15Å; S513-K530 PolarHBondContact OG-N 2.8Å; S513-N585 WeakPolarHBondContact CA-OD1 3.23Å
514	Q	89.7	Confident	90.2	Very high	69 Å²	69	87.1 Å²	87.1	32%	0.322	46%	0.462	S	S	.	.	P	Polyproline II helix	trans	-59.6	160.8	160.6	-70.8	177.7	-58.1	0	0	110.4	V516 V528 A584 N585	Q514-V516 PolarHBondContact O-N 2.81Å; Q514-V528 HydrophobicContact CB-CB 4.38Å; Q514-V528 HydrophobicContact CB-CG1 3.82Å; Q514-A584 HydrophobicContact CG-CB 3.61Å; Q514-N585 PolarHBondContact N-OD1 3.44Å; Q514-N585 PolarHBondContact OE1-ND2 3.25Å
515	P	87.7	Confident	90.2	Very high	115 Å²	115	84.4 Å²	84.4	75%	0.747	45%	0.45	S	S	*	.	P	Polyproline II helix	trans	-55.1	140.3	172.8	-24.8	34.5	0	0	0	111.4	P517	P515-P517 WeakPolarHBondContact O-CD 3.13Å
516	V	91.7	Very high	90.3	Very high	81 Å²	81	83.6 Å²	83.6	49%	0.491	43%	0.432	S	S	.	.	P	Polyproline II helix	trans	-61.1	124.7	175.3	-179.2	0	0	0	0	109	Q514 K518 V528 K530 T531	Q514-V516 PolarHBondContact O-N 2.81Å; V516-K518 PolarHBondContact O-N 2.82Å; V516-V528 HydrophobicContact CG2-CG2 4.1Å; V516-K530 HydrophobicContact CG2-CB 4.32Å; V516-T531 HydrophobicContact CB-CG2 4.46Å; V516-T531 HydrophobicContact CG1-CG2 3.78Å; V516-T531 HydrophobicContact CG2-CG2 3.94Å
517	P	90.6	Very high	90.3	Very high	39 Å²	39	76.5 Å²	76.5	25%	0.253	40%	0.401	S	S	.	.	P	Polyproline II helix	trans	-58.6	124.5	-178.1	-25.4	33.4	0	0	0	112.2	P515 N519 N520 V526 V528	P515-P517 WeakPolarHBondContact O-CD 3.13Å; P517-N519 PolarHBondContact O-N 2.78Å; P517-N520 HydrophobicContact CB-CB 4.49Å; P517-V526 HydrophobicContact CG-CB 3.98Å; P517-V526 HydrophobicContact CG-CG1 3.79Å; P517-V528 HydrophobicContact CG-CG1 4.45Å
518	K	88.9	Confident	90.4	Very high	227 Å²	227	74.6 Å²	74.6	99%	0.987	39%	0.392	S	S	*	.	S	Bend	trans	-60.1	-29.8	177.6	-68	-175.7	179.8	179.4	0	112.9	V516	V516-K518 PolarHBondContact O-N 2.82Å
519	N	87.8	Confident	90.6	Very high	121 Å²	121	67.2 Å²	67.2	65%	0.647	36%	0.358	S	S	*	.			trans	-129.8	113.7	175.8	-175.1	6.1	0	0	0	109.7	P517 K521	P517-N519 PolarHBondContact O-N 2.78Å; N519-K521 WeakPolarHBondContact OD1-CB 3.42Å; N519-K521 WeakPolarHBondContact OD1-CG 3.46Å; N519-K521 PolarHBondContact OD1-N 3.03Å
520	N	90.2	Very high	90.5	Very high	44 Å²	44	72.4 Å²	72.4	24%	0.235	38%	0.375	C	S	.	.			trans	-125.7	38.5	-178.9	-156	6.5	0	0	0	111.8	P517 K525 V526	P517-N520 HydrophobicContact CB-CB 4.49Å; N520-K525 WeakPolarHBondContact OD1-CA 2.97Å; N520-V526 PolarHBondContact ND2-O 3.22Å; N520-V526 PolarHBondContact OD1-N 2.79Å
521	K	86.8	Confident	90.8	Very high	189 Å²	189	70.5 Å²	70.5	82%	0.822	37%	0.366	S	S	*	.			trans	-95.5	9.2	-176.9	-61.9	-178.6	-178.4	179.4	0	113.9	N519	N519-K521 WeakPolarHBondContact OD1-CB 3.42Å; N519-K521 WeakPolarHBondContact OD1-CG 3.46Å; N519-K521 PolarHBondContact OD1-N 3.03Å
522	G	88	Confident	91.3	Very high	40 Å²	40	67.8 Å²	67.8	41%	0.412	35%	0.352	S	S	.	.	S	Bend	trans	-68.5	168.4	-179.5	0	0	0	0	0	113.3	V524	G522-V524 PolarHBondContact O-N 2.8Å
523	P	92.8	Very high	91.7	Very high	46 Å²	46	66.7 Å²	66.7	30%	0.299	35%	0.352	S	S	.	.	S	Bend	trans	-65	-22.2	174.5	27.8	-34.4	0	0	0	113.1	V563 G566 K567	P523-V563 HydrophobicContact CG-CG1 4.18Å; P523-G566 CarbonylContact O-C 3.57Å; P523-G566 VanDerWaalsContact O-CA 3.24Å; P523-G566 WeakPolarHBondContact O-CA 3.43Å; P523-K567 HydrophobicContact CB-CG 3.76Å; P523-K567 HydrophobicContact CG-CG 3.99Å
524	V	96.9	Very high	92	Very high	12 Å²	12	72.3 Å²	72.3	7%	0.073	38%	0.375	C	S	.	.	S	Bend	trans	-119.2	123.7	170.8	-177.8	0	0	0	0	107.5	G522 Y562 V563 I577 K579	G522-V524 PolarHBondContact O-N 2.8Å; V524-Y562 HydrophobicContact CG1-CD1 4Å; V524-Y562 HydrophobicContact CG1-CE1 3.86Å; V524-Y562 HydrophobicContact CG2-CD1 4.15Å; V524-Y562 WeakPolarHBondContact CG2-O 3.34Å; V524-V563 HydrophobicContact CG2-CG2 4.3Å; V524-I577 CarbonylContact C-O 3.53Å; V524-I577 WeakPolarHBondContact CA-O 3.36Å; V524-I577 HydrophobicContact CG1-CG2 4.35Å; V524-I577 HydrophobicContact CG2-CG2 4.06Å; V524-K579 HydrophobicContact CG1-CB 4.01Å; V524-K579 HydrophobicContact CG1-CD 4Å; V524-K579 HydrophobicContact CG1-CG 3.81Å
525	K	97	Very high	92.3	Very high	82 Å²	82	69.8 Å²	69.8	36%	0.357	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	131.8	176.5	-71	-160.7	-177.4	180	0	110.4	N520 I535 V576 I577 A578 K579	N520-K525 WeakPolarHBondContact OD1-CA 2.97Å; K525-I535 HydrophobicContact CD-CG2 4.28Å; K525-V576 HydrophobicContact CB-CG1 4.22Å; K525-V576 HydrophobicContact CD-CG1 3.71Å; K525-V576 HydrophobicContact CG-CG1 4.01Å; K525-I577 PolarHBondContact N-O 2.94Å; K525-A578 HydrophobicContact CB-CB 4.38Å; K525-A578 CarbonylContact O-C 3.55Å; K525-A578 WeakPolarHBondContact O-CA 3.38Å; K525-K579 PolarHBondContact O-N 3.34Å
526	V	96.9	Very high	92.7	Very high	45 Å²	45	64.3 Å²	64.3	27%	0.273	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	121.6	170.4	-179.9	0	0	0	0	108.3	P517 N520	P517-V526 HydrophobicContact CG-CB 3.98Å; P517-V526 HydrophobicContact CG-CG1 3.79Å; N520-V526 PolarHBondContact ND2-O 3.22Å; N520-V526 PolarHBondContact OD1-N 2.79Å
527	V	97	Very high	92.8	Very high	0 Å²	0	61.7 Å²	61.7	0%	0	31%	0.311	C	S	.	.			trans	-105.8	129.9	176.1	177.9	0	0	0	0	108.1	F532 I535 V536 I545 A578 K579 M580	V527-F532 HydrophobicContact CG1-CB 4.18Å; V527-F532 HydrophobicContact CG1-CD2 3.94Å; V527-F532 HydrophobicContact CG1-CG 4.47Å; V527-I535 HydrophobicContact CG2-CB 4.11Å; V527-I535 HydrophobicContact CG2-CD1 4.02Å; V527-I535 HydrophobicContact CG2-CG2 3.79Å; V527-V536 HydrophobicContact CG1-CG2 4.07Å; V527-V536 HydrophobicContact CG2-CG2 4.19Å; V527-I545 HydrophobicContact CB-CD1 4.36Å; V527-I545 HydrophobicContact CG1-CD1 4.4Å; V527-I545 HydrophobicContact CG2-CD1 4.39Å; V527-A578 HydrophobicContact CG2-CB 3.79Å; V527-K579 PolarHBondContact N-O 2.88Å; V527-M580 HydrophobicContact CB-CB 4.23Å; V527-M580 HydrophobicContact CG1-SD 4.23Å; V527-M580 WeakPolarHBondContact O-CA 3.42Å; V527-M580 WeakPolarHBondContact O-CB 3.42Å; V527-M580 WeakPolarHBondContact O-CG 3.17Å
528	V	95	Very high	93	Very high	2 Å²	2	62.5 Å²	62.5	1%	0.012	31%	0.312	C	S	.	.			trans	-112.3	164.9	168.4	-60	0	0	0	0	109.2	S513 Q514 V516 P517 K530 T531 F532 N585	S513-V528 WeakPolarHBondContact OG-CB 3.48Å; S513-V528 WeakPolarHBondContact OG-CG2 3.22Å; Q514-V528 HydrophobicContact CB-CB 4.38Å; Q514-V528 HydrophobicContact CB-CG1 3.82Å; V516-V528 HydrophobicContact CG2-CG2 4.1Å; P517-V528 HydrophobicContact CG-CG1 4.45Å; V528-K530 VanDerWaalsContact C-N 3.25Å; V528-K530 PolarHBondContact O-N 3.15Å; V528-K530 VanDerWaalsContact O-N 3.14Å; V528-T531 HydrophobicContact CG2-CG2 4Å; V528-T531 WeakPolarHBondContact CG2-OG1 3.36Å; V528-T531 PolarHBondContact N-OG1 3.11Å; V528-T531 PolarHBondContact O-N 2.85Å; V528-T531 PolarHBondContact O-OG1 2.95Å; V528-F532 PolarHBondContact O-N 2.91Å; V528-F532 VanDerWaalsContact O-N 3.14Å; V528-N585 WeakPolarHBondContact CA-OD1 3.46Å; V528-N585 VanDerWaalsContact CB-OD1 3.31Å; V528-N585 WeakPolarHBondContact CB-OD1 3.43Å
529	G	90.9	Very high	93.3	Very high	3 Å²	3	55.3 Å²	55.3	3%	0.031	29%	0.288	C	S	.	.	G	3₁₀ helix	trans	-49.7	-43.6	-176.1	0	0	0	0	0	113.5	S513 T531 F532 N585	S513-G529 PolarHBondContact OG-N 2.97Å; S513-G529 VanDerWaalsContact OG-N 3.15Å; G529-T531 VanDerWaalsContact C-N 3.28Å; G529-T531 PolarHBondContact O-N 2.95Å; G529-F532 WeakPolarHBondContact O-CB 3.38Å; G529-F532 PolarHBondContact O-N 3.29Å; G529-N585 PolarHBondContact N-OD1 3.2Å; G529-N585 VanDerWaalsContact N-OD1 3.09Å
530	K	89.4	Confident	93.6	Very high	156 Å²	156	55.5 Å²	55.5	68%	0.678	29%	0.285	S	S	*	.	G	3₁₀ helix	trans	-66.6	-21.5	178.3	-76.2	176.1	-179.5	-173.7	0	114.9	S513 V516 V528	S513-K530 PolarHBondContact OG-N 2.8Å; V516-K530 HydrophobicContact CG2-CB 4.32Å; V528-K530 VanDerWaalsContact C-N 3.25Å; V528-K530 PolarHBondContact O-N 3.15Å; V528-K530 VanDerWaalsContact O-N 3.14Å
531	T	93.9	Very high	93.8	Very high	7 Å²	7	56.1 Å²	56.1	4%	0.043	29%	0.285	C	S	.	.	G	3₁₀ helix	trans	-106.3	0.6	-178.7	55.7	0	0	0	0	113.1	V516 V528 G529 E534 I535	V516-T531 HydrophobicContact CB-CG2 4.46Å; V516-T531 HydrophobicContact CG1-CG2 3.78Å; V516-T531 HydrophobicContact CG2-CG2 3.94Å; V528-T531 HydrophobicContact CG2-CG2 4Å; V528-T531 WeakPolarHBondContact CG2-OG1 3.36Å; V528-T531 PolarHBondContact N-OG1 3.11Å; V528-T531 PolarHBondContact O-N 2.85Å; V528-T531 PolarHBondContact O-OG1 2.95Å; G529-T531 VanDerWaalsContact C-N 3.28Å; G529-T531 PolarHBondContact O-N 2.95Å; T531-E534 PolarHBondContact O-N 3.03Å; T531-I535 WeakPolarHBondContact O-CB 3.34Å; T531-I535 WeakPolarHBondContact O-CG1 3.34Å; T531-I535 PolarHBondContact O-N 3.38Å
532	F	94.8	Very high	94.4	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-60.2	-51.1	-174	-171.9	-88	0	0	0	111.6	V527 V528 G529 E534 I535 V536 M537 I545 F547 M580 V587 P588 N589 Y592	V527-F532 HydrophobicContact CG1-CB 4.18Å; V527-F532 HydrophobicContact CG1-CD2 3.94Å; V527-F532 HydrophobicContact CG1-CG 4.47Å; V528-F532 PolarHBondContact O-N 2.91Å; V528-F532 VanDerWaalsContact O-N 3.14Å; G529-F532 WeakPolarHBondContact O-CB 3.38Å; G529-F532 PolarHBondContact O-N 3.29Å; F532-E534 PolarHBondContact O-N 3.49Å; F532-I535 PolarHBondContact O-N 2.87Å; F532-V536 HydrophobicContact CD1-CB 4.25Å; F532-V536 HydrophobicContact CD2-CB 4.38Å; F532-V536 HydrophobicContact CD2-CG2 3.84Å; F532-V536 HydrophobicContact CE1-CB 4.04Å; F532-V536 HydrophobicContact CE1-CG1 4.13Å; F532-V536 HydrophobicContact CE2-CB 4.17Å; F532-V536 HydrophobicContact CE2-CG1 4.21Å; F532-V536 HydrophobicContact CE2-CG2 3.82Å; F532-V536 HydrophobicContact CG-CB 4.42Å; F532-V536 HydrophobicContact CG-CG2 4.21Å; F532-V536 HydrophobicContact CZ-CB 4Å; F532-V536 HydrophobicContact CZ-CG1 3.8Å; F532-V536 HydrophobicContact CZ-CG2 4.18Å; F532-V536 WeakPolarHBondContact O-CA 3.15Å; F532-V536 VanDerWaalsContact O-CB 3.23Å; F532-V536 WeakPolarHBondContact O-CB 3.25Å; F532-V536 WeakPolarHBondContact O-CG2 3.49Å; F532-V536 PolarHBondContact O-N 2.86Å; F532-M537 HydrophobicContact CD1-CG 4.25Å; F532-M537 HydrophobicContact CE1-CG 4.13Å; F532-M537 HydrophobicContact CE1-SD 4.26Å; F532-M537 PolarHBondContact O-N 3.17Å; F532-I545 HydrophobicContact CD2-CD1 4.32Å; F532-I545 HydrophobicContact CE2-CD1 3.83Å; F532-F547 AromaticContact CE2-CE1 3.72Å; F532-F547 HydrophobicContact CE2-CE1 3.72Å; F532-F547 AromaticContact CE2-CZ 3.67Å; F532-F547 HydrophobicContact CE2-CZ 3.67Å; F532-F547 HydrophobicContact CZ-CE1 4.49Å; F532-F547 HydrophobicContact CZ-CZ 4.06Å; F532-M580 HydrophobicContact CD2-CE 4.37Å; F532-M580 HydrophobicContact CD2-SD 3.63Å; F532-M580 HydrophobicContact CE2-SD 4.03Å; F532-V587 HydrophobicContact CE2-CG1 3.98Å; F532-V587 HydrophobicContact CZ-CG1 4Å; F532-P588 HydrophobicContact CB-CG 3.84Å; F532-P588 HydrophobicContact CD1-CG 4.3Å; F532-P588 HydrophobicContact CG-CG 4.17Å; F532-N589 HydrophobicContact CE1-CB 4.46Å; F532-Y592 AromaticContact CE1-CD2 3.98Å; F532-Y592 HydrophobicContact CE1-CD2 3.98Å; F532-Y592 AromaticContact CE1-CE2 3.78Å; F532-Y592 HydrophobicContact CE1-CE2 3.78Å; F532-Y592 HydrophobicContact CZ-CD1 4.4Å; F532-Y592 AromaticContact CZ-CD2 3.63Å; F532-Y592 HydrophobicContact CZ-CD2 3.63Å; F532-Y592 HydrophobicContact CZ-CE1 4.41Å; F532-Y592 AromaticContact CZ-CE2 3.65Å; F532-Y592 HydrophobicContact CZ-CE2 3.65Å; F532-Y592 HydrophobicContact CZ-CG 4.02Å
533	D	91.8	Very high	94.8	Very high	93 Å²	93	45.2 Å²	45.2	50%	0.497	23%	0.227	S	C	.	.	H	α-helix	trans	-66.2	-40.2	-178.9	-71.3	-16	0	0	0	112.1	I535 M537	D533-I535 VanDerWaalsContact C-N 3.33Å; D533-I535 PolarHBondContact O-N 2.68Å; D533-M537 HydrophobicContact CB-CB 4.47Å; D533-M537 CarbonylContact O-C 3.39Å; D533-M537 WeakPolarHBondContact O-CA 3.25Å; D533-M537 VanDerWaalsContact O-CB 3.31Å; D533-M537 WeakPolarHBondContact O-CB 2.86Å; D533-M537 PolarHBondContact O-N 2.89Å
534	E	94.1	Very high	95.1	Very high	147 Å²	147	43 Å²	43	69%	0.687	21%	0.213	S	C	*	.	H	α-helix	trans	-62.2	-39.6	178.1	-172.4	-168.3	158.4	0	0	112.3	T531 F532	T531-E534 PolarHBondContact O-N 3.03Å; F532-E534 PolarHBondContact O-N 3.49Å
535	I	95.3	Very high	95.1	Very high	17 Å²	17	42.5 Å²	42.5	9%	0.087	21%	0.209	C	C	.	.	H	α-helix	trans	-95.9	-50.7	-172.8	-62.2	174.4	0	0	0	111.5	K525 V527 T531 F532 D533 V543 V576	K525-I535 HydrophobicContact CD-CG2 4.28Å; V527-I535 HydrophobicContact CG2-CB 4.11Å; V527-I535 HydrophobicContact CG2-CD1 4.02Å; V527-I535 HydrophobicContact CG2-CG2 3.79Å; T531-I535 WeakPolarHBondContact O-CB 3.34Å; T531-I535 WeakPolarHBondContact O-CG1 3.34Å; T531-I535 PolarHBondContact O-N 3.38Å; F532-I535 PolarHBondContact O-N 2.87Å; D533-I535 VanDerWaalsContact C-N 3.33Å; D533-I535 PolarHBondContact O-N 2.68Å; I535-V543 WeakPolarHBondContact O-CG2 3.37Å; I535-V576 HydrophobicContact CG2-CG1 4.11Å
536	V	96.3	Very high	95.2	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.7	-40.2	-170.7	-171.9	0	0	0	0	110.8	V527 F532 D538 V543 I545 Y592 A603 K608	V527-V536 HydrophobicContact CG1-CG2 4.07Å; V527-V536 HydrophobicContact CG2-CG2 4.19Å; F532-V536 HydrophobicContact CD1-CB 4.25Å; F532-V536 HydrophobicContact CD2-CB 4.38Å; F532-V536 HydrophobicContact CD2-CG2 3.84Å; F532-V536 HydrophobicContact CE1-CB 4.04Å; F532-V536 HydrophobicContact CE1-CG1 4.13Å; F532-V536 HydrophobicContact CE2-CB 4.17Å; F532-V536 HydrophobicContact CE2-CG1 4.21Å; F532-V536 HydrophobicContact CE2-CG2 3.82Å; F532-V536 HydrophobicContact CG-CB 4.42Å; F532-V536 HydrophobicContact CG-CG2 4.21Å; F532-V536 HydrophobicContact CZ-CB 4Å; F532-V536 HydrophobicContact CZ-CG1 3.8Å; F532-V536 HydrophobicContact CZ-CG2 4.18Å; F532-V536 WeakPolarHBondContact O-CA 3.15Å; F532-V536 VanDerWaalsContact O-CB 3.23Å; F532-V536 WeakPolarHBondContact O-CB 3.25Å; F532-V536 WeakPolarHBondContact O-CG2 3.49Å; F532-V536 PolarHBondContact O-N 2.86Å; V536-D538 VanDerWaalsContact C-N 3.33Å; V536-V543 HydrophobicContact CG1-CG1 4.3Å; V536-V543 HydrophobicContact CG2-CG1 4.48Å; V536-I545 HydrophobicContact CG1-CD1 4.45Å; V536-I545 HydrophobicContact CG1-CG2 4.16Å; V536-I545 HydrophobicContact CG2-CD1 3.46Å; V536-I545 VanDerWaalsContact CG2-CD1 3.46Å; V536-Y592 HydrophobicContact CG1-CE1 4.3Å; V536-A603 HydrophobicContact CG1-CB 4.37Å; V536-K608 WeakPolarHBondContact O-CD 3.26Å; V536-K608 VanDerWaalsContact O-CE 3.29Å; V536-K608 WeakPolarHBondContact O-CE 3.33Å; V536-K608 PolarHBondContact O-NZ 3.14Å
537	M	94.5	Very high	95.2	Very high	26 Å²	26	36.5 Å²	36.5	13%	0.128	18%	0.179	C	C	.	.	S	Bend	trans	-90	8.4	-178.3	-53.1	-62.6	-73.4	0	0	113.5	F532 D533 T539 N589 Y592 K608	F532-M537 HydrophobicContact CD1-CG 4.25Å; F532-M537 HydrophobicContact CE1-CG 4.13Å; F532-M537 HydrophobicContact CE1-SD 4.26Å; F532-M537 PolarHBondContact O-N 3.17Å; D533-M537 HydrophobicContact CB-CB 4.47Å; D533-M537 CarbonylContact O-C 3.39Å; D533-M537 WeakPolarHBondContact O-CA 3.25Å; D533-M537 VanDerWaalsContact O-CB 3.31Å; D533-M537 WeakPolarHBondContact O-CB 2.86Å; D533-M537 PolarHBondContact O-N 2.89Å; M537-T539 PolarHBondContact O-N 3.02Å; M537-N589 WeakPolarHBondContact CE-ND2 3.5Å; M537-Y592 HydrophobicContact SD-CE2 3.83Å; M537-K608 HydrophobicContact CE-CB 3.67Å; M537-K608 HydrophobicContact SD-CB 4.1Å
538	D	94.8	Very high	95.2	Very high	55 Å²	55	38.4 Å²	38.4	29%	0.294	19%	0.187	S	C	.	.			trans	-62	104.9	172.7	-178.4	-4.9	0	0	0	111	V536 Q540 K541 K608	V536-D538 VanDerWaalsContact C-N 3.33Å; D538-Q540 PolarHBondContact O-N 3.36Å; D538-Q540 WeakPolarHBondContact OD1-CB 3.29Å; D538-Q540 PolarHBondContact OD1-N 3.16Å; D538-K541 HydrophobicContact CB-CB 4.45Å; D538-K541 HydrophobicContact CB-CG 4.36Å; D538-K541 PolarHBondContact O-N 2.6Å; D538-K541 VanDerWaalsContact OD2-CG 3.26Å; D538-K541 WeakPolarHBondContact OD2-CG 3.4Å; D538-K608 VanDerWaalsContact C-CE 3.49Å; D538-K608 WeakPolarHBondContact O-CE 3.44Å; D538-K608 PolarHBondContact O-NZ 3.35Å
539	T	94.4	Very high	95.2	Very high	77 Å²	77	38.3 Å²	38.3	47%	0.472	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-12.8	-178.8	62.4	0	0	0	0	114.5	M537 S605 G606 K608	M537-T539 PolarHBondContact O-N 3.02Å; T539-S605 PolarHBondContact O-OG 2.85Å; T539-G606 PolarHBondContact O-N 3.02Å; T539-K608 HydrophobicContact CG2-CG 4.41Å
540	Q	94.6	Very high	95.2	Very high	125 Å²	125	41.3 Å²	41.3	58%	0.584	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.2	-12.6	178.2	-56.7	-57.6	-58.6	0	0	113.5	D538 S605	D538-Q540 PolarHBondContact O-N 3.36Å; D538-Q540 WeakPolarHBondContact OD1-CB 3.29Å; D538-Q540 PolarHBondContact OD1-N 3.16Å; Q540-S605 VanDerWaalsContact C-OG 3.23Å; Q540-S605 PolarHBondContact O-OG 2.82Å
541	K	95.5	Very high	95.1	Very high	56 Å²	56	42.4 Å²	42.4	24%	0.243	21%	0.205	C	C	.	.	S	Bend	trans	-118.1	143.1	-174.4	-58.7	-63.6	177.9	-168.8	0	112	D538 V543 K573 N574 V576 S605 K608	D538-K541 HydrophobicContact CB-CB 4.45Å; D538-K541 HydrophobicContact CB-CG 4.36Å; D538-K541 PolarHBondContact O-N 2.6Å; D538-K541 VanDerWaalsContact OD2-CG 3.26Å; D538-K541 WeakPolarHBondContact OD2-CG 3.4Å; K541-V543 HydrophobicContact CB-CG2 4.2Å; K541-K573 PolarHBondContact NZ-O 2.77Å; K541-N574 CarbonylContact C-O 3.52Å; K541-N574 WeakPolarHBondContact CA-O 3.41Å; K541-V576 HydrophobicContact CB-CG2 4.25Å; K541-V576 HydrophobicContact CG-CG2 4.32Å; K541-S605 WeakPolarHBondContact O-CA 3.37Å; K541-S605 PolarHBondContact O-N 3.17Å; K541-K608 VanDerWaalsContact O-CE 3.25Å; K541-K608 WeakPolarHBondContact O-CE 3.46Å; K541-K608 PolarHBondContact O-NZ 2.88Å
542	D	97.5	Very high	95.1	Very high	1 Å²	1	42.7 Å²	42.7	1%	0.005	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	136.6	156.9	-68.6	-33.4	0	0	0	108.5	N574 L575 V576 F602 S605 T633 K634	D542-N574 PolarHBondContact N-O 2.98Å; D542-L575 HydrophobicContact CB-CD1 3.87Å; D542-L575 CarbonylContact O-C 3.48Å; D542-L575 WeakPolarHBondContact O-CA 3.33Å; D542-V576 PolarHBondContact O-N 3.11Å; D542-F602 HydrophobicContact CB-CE1 4.23Å; D542-F602 HydrophobicContact CB-CE2 4.34Å; D542-F602 HydrophobicContact CB-CZ 3.62Å; D542-S605 WeakPolarHBondContact OD1-CB 3.35Å; D542-S605 PolarHBondContact OD1-N 2.97Å; D542-T633 VanDerWaalsContact CG-OG1 3.24Å; D542-T633 WeakPolarHBondContact OD1-CG2 3.41Å; D542-T633 PolarHBondContact OD1-OG1 3.21Å; D542-T633 PolarHBondContact OD2-N 2.82Å; D542-T633 PolarHBondContact OD2-OG1 3.28Å; D542-K634 PolarHBondContact OD2-N 3.36Å
543	V	97.9	Very high	94.9	Very high	0 Å²	0	45 Å²	45	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	119.5	-178.2	-174.7	0	0	0	0	109.9	I535 V536 K541 I545 V576 A578 F602 A603	I535-V543 WeakPolarHBondContact O-CG2 3.37Å; V536-V543 HydrophobicContact CG1-CG1 4.3Å; V536-V543 HydrophobicContact CG2-CG1 4.48Å; K541-V543 HydrophobicContact CB-CG2 4.2Å; V543-I545 HydrophobicContact CG1-CB 4.46Å; V543-V576 CarbonylContact C-O 3.54Å; V543-V576 WeakPolarHBondContact CA-O 3.49Å; V543-V576 HydrophobicContact CG1-CB 4.29Å; V543-V576 HydrophobicContact CG1-CG1 4.46Å; V543-V576 HydrophobicContact CG2-CB 4.16Å; V543-A578 HydrophobicContact CG1-CB 4.23Å; V543-F602 CarbonylContact O-C 3.47Å; V543-F602 WeakPolarHBondContact O-CA 3.45Å; V543-A603 HydrophobicContact CB-CB 4.36Å; V543-A603 PolarHBondContact N-O 3.25Å; V543-A603 PolarHBondContact O-N 2.74Å
544	L	97.9	Very high	94.9	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	118.3	164.1	-172.7	77.5	0	0	0	107.6	Y562 L565 V576 I577 A578 I600 Y601 F602 F627 V628	L544-Y562 HydrophobicContact CD2-CE2 3.88Å; L544-Y562 HydrophobicContact CG-CE2 4.5Å; L544-Y562 PolarHBondContact O-OH 2.77Å; L544-L565 HydrophobicContact CD2-CD2 3.56Å; L544-V576 PolarHBondContact N-O 3.49Å; L544-I577 HydrophobicContact CB-CD1 3.81Å; L544-I577 HydrophobicContact CD2-CD1 4.06Å; L544-A578 PolarHBondContact O-N 3.42Å; L544-I600 HydrophobicContact CD1-CG2 3.72Å; L544-I600 HydrophobicContact CG-CG2 4.08Å; L544-Y601 WeakPolarHBondContact CA-O 3.29Å; L544-F602 HydrophobicContact CB-CD2 4.11Å; L544-F602 HydrophobicContact CD1-CB 4.14Å; L544-F602 HydrophobicContact CD1-CD2 3.89Å; L544-F627 HydrophobicContact CD1-CD1 3.97Å; L544-F627 HydrophobicContact CD1-CE1 3.99Å; L544-V628 HydrophobicContact CB-CG2 4.35Å; L544-V628 HydrophobicContact CD1-CG2 4.3Å; L544-V628 HydrophobicContact CD2-CG2 3.82Å; L544-V628 HydrophobicContact CG-CG2 4.39Å
545	I	98.1	Very high	94.9	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	129.4	179.9	-176.7	161.5	0	0	0	111.6	V527 F532 V536 V543 F547 A578 M580 Y592 I600 Y601	V527-I545 HydrophobicContact CB-CD1 4.36Å; V527-I545 HydrophobicContact CG1-CD1 4.4Å; V527-I545 HydrophobicContact CG2-CD1 4.39Å; F532-I545 HydrophobicContact CD2-CD1 4.32Å; F532-I545 HydrophobicContact CE2-CD1 3.83Å; V536-I545 HydrophobicContact CG1-CD1 4.45Å; V536-I545 HydrophobicContact CG1-CG2 4.16Å; V536-I545 HydrophobicContact CG2-CD1 3.46Å; V536-I545 VanDerWaalsContact CG2-CD1 3.46Å; V543-I545 HydrophobicContact CG1-CB 4.46Å; I545-F547 HydrophobicContact CD1-CE1 4.06Å; I545-F547 HydrophobicContact CD1-CZ 3.98Å; I545-F547 HydrophobicContact CG1-CE1 4.47Å; I545-F547 HydrophobicContact CG1-CE2 4.3Å; I545-F547 HydrophobicContact CG1-CZ 4.22Å; I545-F547 HydrophobicContact CG2-CE2 3.87Å; I545-F547 HydrophobicContact CG2-CZ 4.15Å; I545-A578 WeakPolarHBondContact CA-O 3.42Å; I545-A578 HydrophobicContact CB-CB 4.37Å; I545-A578 HydrophobicContact CG1-CB 4.4Å; I545-M580 HydrophobicContact CD1-CB 4.17Å; I545-Y592 HydrophobicContact CG2-CE1 4.27Å; I545-I600 WeakPolarHBondContact O-CA 3.41Å; I545-Y601 PolarHBondContact N-O 3.32Å; I545-Y601 PolarHBondContact O-N 3.02Å
546	E	97.9	Very high	94.8	Very high	1 Å²	1	45.5 Å²	45.5	1%	0.005	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	126.1	168.7	-179.3	-163.5	-168.1	0	0	109.9	L558 Y562 A578 K579 M580 P598 I600	E546-L558 WeakPolarHBondContact OE1-CD2 3.31Å; E546-Y562 HydrophobicContact CB-CD1 4.45Å; E546-Y562 HydrophobicContact CB-CE1 3.81Å; E546-Y562 HydrophobicContact CB-CE2 4.02Å; E546-Y562 PolarHBondContact N-OH 3.42Å; E546-Y562 VanDerWaalsContact N-OH 3.15Å; E546-A578 PolarHBondContact N-O 3.36Å; E546-K579 HydrophobicContact CB-CB 4.26Å; E546-K579 CarbonylContact O-C 3.48Å; E546-K579 VanDerWaalsContact O-CA 3.25Å; E546-K579 WeakPolarHBondContact O-CA 3.49Å; E546-M580 PolarHBondContact O-N 3.47Å; E546-P598 HydrophobicContact CG-CB 4Å; E546-P598 WeakPolarHBondContact OE1-CB 3.46Å; E546-I600 HydrophobicContact CB-CG1 4.27Å; E546-I600 HydrophobicContact CG-CG1 4.18Å
547	F	97.9	Very high	94.7	Very high	0 Å²	0	53.7 Å²	53.7	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	118.5	165.2	-59.2	-83.3	0	0	0	109	F532 I545 M580 A582 V587 Y592 V594 P598 T599 Y601	F532-F547 AromaticContact CE2-CE1 3.72Å; F532-F547 HydrophobicContact CE2-CE1 3.72Å; F532-F547 AromaticContact CE2-CZ 3.67Å; F532-F547 HydrophobicContact CE2-CZ 3.67Å; F532-F547 HydrophobicContact CZ-CE1 4.49Å; F532-F547 HydrophobicContact CZ-CZ 4.06Å; I545-F547 HydrophobicContact CD1-CE1 4.06Å; I545-F547 HydrophobicContact CD1-CZ 3.98Å; I545-F547 HydrophobicContact CG1-CE1 4.47Å; I545-F547 HydrophobicContact CG1-CE2 4.3Å; I545-F547 HydrophobicContact CG1-CZ 4.22Å; I545-F547 HydrophobicContact CG2-CE2 3.87Å; I545-F547 HydrophobicContact CG2-CZ 4.15Å; F547-M580 WeakPolarHBondContact CA-O 3.13Å; F547-M580 HydrophobicContact CD1-CB 4.11Å; F547-M580 HydrophobicContact CD1-CG 4.3Å; F547-M580 HydrophobicContact CD1-SD 4.01Å; F547-M580 HydrophobicContact CE1-CB 4.41Å; F547-M580 HydrophobicContact CE1-SD 3.67Å; F547-A582 HydrophobicContact CB-CB 4.05Å; F547-A582 HydrophobicContact CD1-CB 4.16Å; F547-V587 HydrophobicContact CD1-CG2 3.81Å; F547-V587 HydrophobicContact CE1-CB 4.32Å; F547-V587 HydrophobicContact CE1-CG1 3.73Å; F547-V587 HydrophobicContact CE1-CG2 3.57Å; F547-V587 HydrophobicContact CZ-CG1 3.94Å; F547-V587 HydrophobicContact CZ-CG2 4.49Å; F547-Y592 AromaticContact CE2-CD1 3.81Å; F547-Y592 HydrophobicContact CE2-CD1 3.81Å; F547-Y592 HydrophobicContact CE2-CG 4.3Å; F547-Y592 AromaticContact CZ-CD1 3.87Å; F547-Y592 HydrophobicContact CZ-CD1 3.87Å; F547-Y592 HydrophobicContact CZ-CG 4.03Å; F547-V594 HydrophobicContact CB-CG1 4.03Å; F547-V594 HydrophobicContact CB-CG2 3.78Å; F547-V594 HydrophobicContact CD1-CG2 3.92Å; F547-V594 HydrophobicContact CD2-CG2 3.85Å; F547-V594 HydrophobicContact CE1-CG2 4.44Å; F547-V594 HydrophobicContact CE2-CG2 4.39Å; F547-V594 HydrophobicContact CG-CG2 3.57Å; F547-P598 WeakPolarHBondContact O-CA 3.47Å; F547-T599 PolarHBondContact N-O 2.91Å; F547-T599 PolarHBondContact O-N 2.96Å; F547-Y601 HydrophobicContact CD2-CD2 4.15Å; F547-Y601 AromaticContact CE2-CD2 3.82Å; F547-Y601 HydrophobicContact CE2-CD2 3.82Å; F547-Y601 HydrophobicContact CE2-CE2 4.47Å
548	Y	96.6	Very high	94.7	Very high	41 Å²	41	52.7 Å²	52.7	16%	0.161	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	167.9	-174.6	76.5	-87.9	0	0	0	112.4	P550 C555 K579 M580 D581 A582	Y548-P550 HydrophobicContact CE2-CG 4.32Å; Y548-C555 VanDerWaalsContact CB-SG 3.57Å; Y548-K579 HydrophobicContact CD1-CB 4.17Å; Y548-K579 HydrophobicContact CE1-CB 4.12Å; Y548-K579 HydrophobicContact CE1-CD 4.05Å; Y548-K579 HydrophobicContact CE1-CG 3.98Å; Y548-M580 VanDerWaalsContact CD1-C 3.46Å; Y548-M580 WeakPolarHBondContact CD1-O 3.45Å; Y548-M580 PolarHBondContact N-O 2.82Å; Y548-D581 HydrophobicContact CE1-CB 4.18Å; Y548-D581 HydrophobicContact CE2-CB 4.15Å; Y548-A582 PolarHBondContact O-N 3.09Å
549	A	94.5	Very high	94.7	Very high	0 Å²	0	53 Å²	53	0%	0	26%	0.259	C	S	.	.			trans	-124.9	133.5	169.6	0	0	0	0	0	109.9	W551 C552 T583 F597	A549-W551 HydrophobicContact CB-CD2 4.15Å; A549-W551 HydrophobicContact CB-CH2 4.41Å; A549-W551 HydrophobicContact CB-CZ2 3.87Å; A549-W551 PolarHBondContact O-N 2.86Å; A549-W551 VanDerWaalsContact O-N 3.11Å; A549-C552 HydrophobicContact CB-CB 4.11Å; A549-C552 WeakPolarHBondContact O-CB 3.46Å; A549-C552 PolarHBondContact O-N 3.16Å; A549-T583 HydrophobicContact CB-CG2 3.45Å; A549-T583 VanDerWaalsContact CB-CG2 3.45Å; A549-F597 HydrophobicContact CB-CB 4.2Å; A549-F597 HydrophobicContact CB-CD1 4.01Å; A549-F597 HydrophobicContact CB-CD2 3.6Å; A549-F597 HydrophobicContact CB-CE1 4.27Å; A549-F597 HydrophobicContact CB-CE2 3.9Å; A549-F597 HydrophobicContact CB-CG 3.65Å; A549-F597 HydrophobicContact CB-CZ 4.23Å
550	P	91.9	Very high	94.8	Very high	65 Å²	65	53.3 Å²	53.3	42%	0.422	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-26.7	-176.5	-27.1	34.6	0	0	0	115	Y548 K556 D581	Y548-P550 HydrophobicContact CE2-CG 4.32Å; P550-K556 WeakPolarHBondContact O-CE 3.46Å; P550-D581 WeakPolarHBondContact CD-OD2 3.37Å; P550-D581 WeakPolarHBondContact CG-OD2 3.31Å
551	W	87.6	Confident	94.9	Very high	179 Å²	179	50.1 Å²	50.1	68%	0.678	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.1	-8.7	179.7	49	-100	0	0	0	113.7	A549 G553 T583 F597	A549-W551 HydrophobicContact CB-CD2 4.15Å; A549-W551 HydrophobicContact CB-CH2 4.41Å; A549-W551 HydrophobicContact CB-CZ2 3.87Å; A549-W551 PolarHBondContact O-N 2.86Å; A549-W551 VanDerWaalsContact O-N 3.11Å; W551-G553 PolarHBondContact O-N 3.39Å; W551-T583 HydrophobicContact CZ2-CG2 4.46Å; W551-F597 HydrophobicContact CH2-CD2 4.03Å; W551-F597 HydrophobicContact CH2-CE2 4.27Å; W551-F597 HydrophobicContact CZ2-CD2 4.24Å; W551-F597 HydrophobicContact CZ2-CE2 4.13Å
552	C	92.6	Very high	95	Very high	13 Å²	13	47.5 Å²	47.5	9%	0.088	24%	0.238	C	C	.	.			trans	-76.1	120.7	-177.3	177.6	0	0	0	0	111.8	A549 H554 C555 K556 F597	A549-C552 HydrophobicContact CB-CB 4.11Å; A549-C552 WeakPolarHBondContact O-CB 3.46Å; A549-C552 PolarHBondContact O-N 3.16Å; C552-H554 PolarHBondContact O-N 3.27Å; C552-C555 HydrophobicContact CB-CB 3.93Å; C552-C555 VanDerWaalsContact CB-SG 3.57Å; C552-C555 PolarHBondContact O-N 3.29Å; C552-K556 WeakPolarHBondContact O-CG 3.15Å; C552-K556 PolarHBondContact O-N 2.99Å; C552-K556 VanDerWaalsContact O-N 3.15Å; C552-F597 HydrophobicContact CB-CB 4.07Å; C552-F597 PolarHBondContact SG-O 3.47Å
553	G	91.6	Very high	95	Very high	49 Å²	49	49 Å²	49	51%	0.505	25%	0.247	S	C	.	.	H	α-helix	trans	-61	-39.7	177.3	0	0	0	0	0	113.6	W551 C555 K556 K557	W551-G553 PolarHBondContact O-N 3.39Å; G553-C555 PolarHBondContact O-N 2.81Å; G553-K556 PolarHBondContact O-N 3.41Å; G553-K557 PolarHBondContact O-N 3.04Å
554	H	91.1	Very high	94.9	Very high	128 Å²	128	50.9 Å²	50.9	59%	0.593	26%	0.263	S	S	*	.	H	α-helix	trans	-66.4	-36.8	177.7	-62.2	161	0	0	0	112.7	C552 K557 L558	C552-H554 PolarHBondContact O-N 3.27Å; H554-K557 PolarHBondContact O-N 3.43Å; H554-L558 WeakPolarHBondContact O-CB 3.43Å; H554-L558 PolarHBondContact O-N 3.47Å
555	C	93.7	Very high	94.8	Very high	5 Å²	5	50.9 Å²	50.9	3%	0.034	26%	0.263	C	S	.	.	H	α-helix	trans	-63	-44.9	172.7	-65.4	0	0	0	0	111.2	Y548 C552 G553 K557 L558 E559 P598	Y548-C555 VanDerWaalsContact CB-SG 3.57Å; C552-C555 HydrophobicContact CB-CB 3.93Å; C552-C555 VanDerWaalsContact CB-SG 3.57Å; C552-C555 PolarHBondContact O-N 3.29Å; G553-C555 PolarHBondContact O-N 2.81Å; C555-K557 VanDerWaalsContact C-N 3.28Å; C555-K557 PolarHBondContact O-N 3.03Å; C555-L558 PolarHBondContact O-N 3.02Å; C555-L558 VanDerWaalsContact O-N 3.15Å; C555-E559 PolarHBondContact O-N 3.21Å; C555-P598 WeakPolarHBondContact SG-CD 3.48Å
556	K	93.9	Very high	94.7	Very high	135 Å²	135	51 Å²	51	59%	0.587	26%	0.263	S	S	*	.	H	α-helix	trans	-61	-38	177.8	-68.4	177.1	-176.2	178.2	0	112.2	P550 C552 G553	P550-K556 WeakPolarHBondContact O-CE 3.46Å; C552-K556 WeakPolarHBondContact O-CG 3.15Å; C552-K556 PolarHBondContact O-N 2.99Å; C552-K556 VanDerWaalsContact O-N 3.15Å; G553-K556 PolarHBondContact O-N 3.41Å
557	K	94.3	Very high	94.7	Very high	171 Å²	171	57.3 Å²	57.3	74%	0.743	29%	0.291	S	S	*	.	H	α-helix	trans	-68.1	-35.5	175.8	-170.1	176.7	179	-179.2	0	112.3	G553 H554 C555 P560	G553-K557 PolarHBondContact O-N 3.04Å; H554-K557 PolarHBondContact O-N 3.43Å; C555-K557 VanDerWaalsContact C-N 3.28Å; C555-K557 PolarHBondContact O-N 3.03Å; K557-P560 WeakPolarHBondContact O-CD 3.39Å
558	L	95.1	Very high	94.5	Very high	6 Å²	6	61.5 Å²	61.5	3%	0.031	31%	0.309	C	S	.	.	H	α-helix	trans	-75.4	-31.8	179.1	175	57.4	0	0	0	113.6	E546 H554 C555 P560 D561 Y562 P598 I600 R619 L624	E546-L558 WeakPolarHBondContact OE1-CD2 3.31Å; H554-L558 WeakPolarHBondContact O-CB 3.43Å; H554-L558 PolarHBondContact O-N 3.47Å; C555-L558 PolarHBondContact O-N 3.02Å; C555-L558 VanDerWaalsContact O-N 3.15Å; L558-P560 VanDerWaalsContact C-CD 3.45Å; L558-D561 HydrophobicContact CD1-CB 4.33Å; L558-D561 PolarHBondContact O-N 2.84Å; L558-Y562 HydrophobicContact CD1-CD2 4.49Å; L558-Y562 PolarHBondContact O-N 3.23Å; L558-P598 HydrophobicContact CD2-CB 4.17Å; L558-P598 HydrophobicContact CD2-CG 3.8Å; L558-I600 HydrophobicContact CD2-CD1 3.88Å; L558-R619 HydrophobicContact CD1-CB 3.8Å; L558-R619 WeakPolarHBondContact CD1-O 3.31Å; L558-L624 HydrophobicContact CD1-CD1 4.02Å
559	E	95.1	Very high	94.4	Very high	60 Å²	60	60.4 Å²	60.4	28%	0.28	31%	0.305	S	S	.	.	H	α-helix	trans	-48.7	-45.7	-172.5	177.5	73.5	-152.3	0	0	114.3	C555 D561 Y562 V563 K579	C555-E559 PolarHBondContact O-N 3.21Å; E559-D561 PolarHBondContact O-N 3.42Å; E559-Y562 PolarHBondContact O-N 3.07Å; E559-V563 WeakPolarHBondContact O-CB 3.23Å; E559-V563 VanDerWaalsContact O-CG2 3.29Å; E559-V563 WeakPolarHBondContact O-CG2 3.42Å; E559-V563 PolarHBondContact O-N 3.41Å; E559-V563 WeakPolarHBondContact OE1-CG2 3.48Å; E559-K579 IonicContact OE1-NZ 2.74Å; E559-K579 PolarHBondContact OE1-NZ 2.89Å; E559-K579 IonicContact OE2-NZ 3.67Å; E559-K579 PolarHBondContact OE2-NZ 2.64Å
560	P	96.1	Very high	94.2	Very high	85 Å²	85	68.3 Å²	68.3	55%	0.552	34%	0.339	S	S	*	.	H	α-helix	trans	-60.7	-44.7	177.7	-21.9	34.3	0	0	0	113.2	K557 L558 V563 A564	K557-P560 WeakPolarHBondContact O-CD 3.39Å; L558-P560 VanDerWaalsContact C-CD 3.45Å; P560-V563 PolarHBondContact O-N 3.42Å; P560-A564 WeakPolarHBondContact O-CB 3.45Å; P560-A564 PolarHBondContact O-N 2.91Å
561	D	96.3	Very high	94.1	Very high	58 Å²	58	68 Å²	68	31%	0.31	34%	0.338	S	S	.	.	H	α-helix	trans	-67.8	-42	179.3	-69.7	-49	0	0	0	111.1	L558 E559 V563 A564 L565 V621	L558-D561 HydrophobicContact CD1-CB 4.33Å; L558-D561 PolarHBondContact O-N 2.84Å; E559-D561 PolarHBondContact O-N 3.42Å; D561-V563 VanDerWaalsContact C-N 3.32Å; D561-V563 PolarHBondContact O-N 2.95Å; D561-A564 WeakPolarHBondContact O-CB 3.18Å; D561-A564 PolarHBondContact O-N 2.97Å; D561-A564 VanDerWaalsContact O-N 3.14Å; D561-L565 WeakPolarHBondContact O-CB 3.47Å; D561-L565 PolarHBondContact O-N 3.15Å; D561-V621 HydrophobicContact CB-CG2 3.88Å; D561-V621 WeakPolarHBondContact O-CG2 3.33Å
562	Y	97.3	Very high	94.3	Very high	0 Å²	0	60.1 Å²	60.1	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-65.2	-37.3	178.9	-154.5	-102.9	0	0	0	111.9	V524 L544 E546 L558 E559 L565 G566 I577 A578 K579 L624	V524-Y562 HydrophobicContact CG1-CD1 4Å; V524-Y562 HydrophobicContact CG1-CE1 3.86Å; V524-Y562 HydrophobicContact CG2-CD1 4.15Å; V524-Y562 WeakPolarHBondContact CG2-O 3.34Å; L544-Y562 HydrophobicContact CD2-CE2 3.88Å; L544-Y562 HydrophobicContact CG-CE2 4.5Å; L544-Y562 PolarHBondContact O-OH 2.77Å; E546-Y562 HydrophobicContact CB-CD1 4.45Å; E546-Y562 HydrophobicContact CB-CE1 3.81Å; E546-Y562 HydrophobicContact CB-CE2 4.02Å; E546-Y562 PolarHBondContact N-OH 3.42Å; E546-Y562 VanDerWaalsContact N-OH 3.15Å; L558-Y562 HydrophobicContact CD1-CD2 4.49Å; L558-Y562 PolarHBondContact O-N 3.23Å; E559-Y562 PolarHBondContact O-N 3.07Å; Y562-L565 WeakPolarHBondContact O-CB 3.4Å; Y562-L565 PolarHBondContact O-N 2.9Å; Y562-G566 PolarHBondContact O-N 3.2Å; Y562-I577 HydrophobicContact CD1-CG2 4.2Å; Y562-I577 HydrophobicContact CE1-CG2 3.64Å; Y562-A578 VanDerWaalsContact CE1-O 3.24Å; Y562-A578 WeakPolarHBondContact CE1-O 3.48Å; Y562-A578 PolarHBondContact OH-O 2.94Å; Y562-K579 HydrophobicContact CE1-CB 4.33Å; Y562-L624 HydrophobicContact CD2-CD1 3.92Å; Y562-L624 HydrophobicContact CE2-CD1 4.4Å
563	V	96.9	Very high	94.1	Very high	34 Å²	34	68 Å²	68	21%	0.206	34%	0.342	C	S	.	.	H	α-helix	trans	-66.8	-40.5	171.5	170.2	0	0	0	0	111.7	P523 V524 E559 P560 D561 G566 K567	P523-V563 HydrophobicContact CG-CG1 4.18Å; V524-V563 HydrophobicContact CG2-CG2 4.3Å; E559-V563 WeakPolarHBondContact O-CB 3.23Å; E559-V563 VanDerWaalsContact O-CG2 3.29Å; E559-V563 WeakPolarHBondContact O-CG2 3.42Å; E559-V563 PolarHBondContact O-N 3.41Å; E559-V563 WeakPolarHBondContact OE1-CG2 3.48Å; P560-V563 PolarHBondContact O-N 3.42Å; D561-V563 VanDerWaalsContact C-N 3.32Å; D561-V563 PolarHBondContact O-N 2.95Å; V563-G566 PolarHBondContact O-N 2.78Å; V563-K567 WeakPolarHBondContact O-CG 3.38Å; V563-K567 PolarHBondContact O-N 2.93Å
564	A	96.9	Very high	94.1	Very high	39 Å²	39	68.5 Å²	68.5	32%	0.322	33%	0.333	S	S	.	.	H	α-helix	trans	-63.4	-40.8	175.6	0	0	0	0	0	111.8	P560 D561 K567 K568 V621	P560-A564 WeakPolarHBondContact O-CB 3.45Å; P560-A564 PolarHBondContact O-N 2.91Å; D561-A564 WeakPolarHBondContact O-CB 3.18Å; D561-A564 PolarHBondContact O-N 2.97Å; D561-A564 VanDerWaalsContact O-N 3.14Å; A564-K567 WeakPolarHBondContact O-CB 3.37Å; A564-K567 PolarHBondContact O-N 3.37Å; A564-K567 VanDerWaalsContact O-N 3.13Å; A564-K568 PolarHBondContact O-N 3.3Å; A564-V621 HydrophobicContact CB-CG2 3.76Å
565	L	96.3	Very high	94.4	Very high	0 Å²	0	63.1 Å²	63.1	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-58.9	-46.7	172.2	-170.4	76.4	0	0	0	111.7	L544 D561 Y562 K567 K568 Y569 I577 V621 L624	L544-L565 HydrophobicContact CD2-CD2 3.56Å; D561-L565 WeakPolarHBondContact O-CB 3.47Å; D561-L565 PolarHBondContact O-N 3.15Å; Y562-L565 WeakPolarHBondContact O-CB 3.4Å; Y562-L565 PolarHBondContact O-N 2.9Å; L565-K567 VanDerWaalsContact C-N 3.26Å; L565-K567 PolarHBondContact O-N 3.26Å; L565-K568 WeakPolarHBondContact O-CB 3.38Å; L565-K568 PolarHBondContact O-N 2.86Å; L565-K568 VanDerWaalsContact O-N 3.13Å; L565-Y569 HydrophobicContact CD1-CD2 4.09Å; L565-Y569 HydrophobicContact CD1-CE2 3.63Å; L565-Y569 HydrophobicContact CG-CD2 4.2Å; L565-Y569 HydrophobicContact CG-CE2 4.23Å; L565-Y569 WeakPolarHBondContact O-CD2 3.47Å; L565-Y569 PolarHBondContact O-N 2.87Å; L565-Y569 VanDerWaalsContact O-N 3.14Å; L565-I577 HydrophobicContact CD2-CD1 4.45Å; L565-V621 HydrophobicContact CB-CG1 4.47Å; L565-V621 HydrophobicContact CD1-CG1 4.16Å; L565-V621 WeakPolarHBondContact CD1-O 3.39Å; L565-L624 HydrophobicContact CD1-CB 4.08Å; L565-L624 HydrophobicContact CD2-CB 3.62Å; L565-L624 HydrophobicContact CD2-CD1 4.15Å; L565-L624 HydrophobicContact CG-CB 4.48Å
566	G	96.3	Very high	94.5	Very high	1 Å²	1	63.6 Å²	63.6	1%	0.01	31%	0.311	C	S	.	.	H	α-helix	trans	-57.3	-38.2	173.6	0	0	0	0	0	113.1	P523 Y562 V563 K570	P523-G566 CarbonylContact O-C 3.57Å; P523-G566 VanDerWaalsContact O-CA 3.24Å; P523-G566 WeakPolarHBondContact O-CA 3.43Å; Y562-G566 PolarHBondContact O-N 3.2Å; V563-G566 PolarHBondContact O-N 2.78Å; G566-K570 PolarHBondContact O-N 3.22Å
567	K	96.4	Very high	94.7	Very high	134 Å²	134	57.6 Å²	57.6	58%	0.583	29%	0.285	S	S	*	.	H	α-helix	trans	-68.8	-42.2	174.4	-69.6	172.7	-176.4	171.6	0	111.7	P523 V563 A564 L565 Y569 K570	P523-K567 HydrophobicContact CB-CG 3.76Å; P523-K567 HydrophobicContact CG-CG 3.99Å; V563-K567 WeakPolarHBondContact O-CG 3.38Å; V563-K567 PolarHBondContact O-N 2.93Å; A564-K567 WeakPolarHBondContact O-CB 3.37Å; A564-K567 PolarHBondContact O-N 3.37Å; A564-K567 VanDerWaalsContact O-N 3.13Å; L565-K567 VanDerWaalsContact C-N 3.26Å; L565-K567 PolarHBondContact O-N 3.26Å; K567-Y569 VanDerWaalsContact C-N 3.32Å; K567-Y569 PolarHBondContact O-N 3.46Å; K567-K570 VanDerWaalsContact O-CB 3.32Å; K567-K570 WeakPolarHBondContact O-CB 3.34Å; K567-K570 PolarHBondContact O-N 3.32Å
568	K	94.9	Very high	94.9	Very high	89 Å²	89	49.4 Å²	49.4	39%	0.387	25%	0.25	S	C	.	.	H	α-helix	trans	-54.9	-46.4	179	-177.3	-175.5	176.4	-163.5	0	111.3	A564 L565 V621 E629	A564-K568 PolarHBondContact O-N 3.3Å; L565-K568 WeakPolarHBondContact O-CB 3.38Å; L565-K568 PolarHBondContact O-N 2.86Å; L565-K568 VanDerWaalsContact O-N 3.13Å; K568-V621 HydrophobicContact CD-CG1 4.45Å; K568-E629 IonicContact NZ-OE1 2.66Å; K568-E629 PolarHBondContact NZ-OE1 2.99Å
569	Y	94.2	Very high	95	Very high	18 Å²	18	50.5 Å²	50.5	7%	0.071	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.7	14.2	-177.3	-63.2	-73.2	0	0	0	114.6	L565 K567 S571 E572 L575 G625 V628 E629 L635	L565-Y569 HydrophobicContact CD1-CD2 4.09Å; L565-Y569 HydrophobicContact CD1-CE2 3.63Å; L565-Y569 HydrophobicContact CG-CD2 4.2Å; L565-Y569 HydrophobicContact CG-CE2 4.23Å; L565-Y569 WeakPolarHBondContact O-CD2 3.47Å; L565-Y569 PolarHBondContact O-N 2.87Å; L565-Y569 VanDerWaalsContact O-N 3.14Å; K567-Y569 VanDerWaalsContact C-N 3.32Å; K567-Y569 PolarHBondContact O-N 3.46Å; Y569-S571 PolarHBondContact O-N 3.07Å; Y569-E572 HydrophobicContact CD1-CG 3.84Å; Y569-E572 WeakPolarHBondContact O-CB 3.29Å; Y569-E572 PolarHBondContact O-N 3.19Å; Y569-L575 HydrophobicContact CD1-CD2 4.03Å; Y569-L575 HydrophobicContact CD2-CD2 4.25Å; Y569-L575 HydrophobicContact CG-CD2 3.76Å; Y569-G625 WeakPolarHBondContact OH-CA 3.29Å; Y569-G625 PolarHBondContact OH-O 3.32Å; Y569-V628 HydrophobicContact CE1-CG1 4.47Å; Y569-V628 HydrophobicContact CE2-CG1 4.32Å; Y569-E629 PolarHBondContact OH-OE1 2.91Å; Y569-L635 HydrophobicContact CD1-CD2 4.39Å; Y569-L635 HydrophobicContact CE1-CD2 4.44Å
570	K	90.6	Very high	95.2	Very high	165 Å²	165	47.6 Å²	47.6	72%	0.717	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.7	-27.3	-178.9	-171.7	179.8	179.5	-175.9	0	113.9	G566 K567	G566-K570 PolarHBondContact O-N 3.22Å; K567-K570 VanDerWaalsContact O-CB 3.32Å; K567-K570 WeakPolarHBondContact O-CB 3.34Å; K567-K570 PolarHBondContact O-N 3.32Å
571	S	88.9	Confident	95.2	Very high	58 Å²	58	44.1 Å²	44.1	41%	0.406	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.3	-17	176.7	54.4	0	0	0	0	114.4	Y569 K573 R638	Y569-S571 PolarHBondContact O-N 3.07Å; S571-K573 PolarHBondContact O-N 2.65Å; S571-K573 VanDerWaalsContact O-N 3.1Å; S571-R638 PolarHBondContact OG-NH2 2.74Å
572	E	91.3	Very high	95.1	Very high	15 Å²	15	42.4 Å²	42.4	7%	0.07	21%	0.212	C	C	.	.			trans	-78.1	95.5	-177.1	-65.1	-50.2	123.9	0	0	110.7	Y569 N574 L575 L635 L636	Y569-E572 HydrophobicContact CD1-CG 3.84Å; Y569-E572 WeakPolarHBondContact O-CB 3.29Å; Y569-E572 PolarHBondContact O-N 3.19Å; E572-N574 PolarHBondContact O-N 3.15Å; E572-N574 VanDerWaalsContact O-N 3.09Å; E572-L575 HydrophobicContact CB-CB 3.95Å; E572-L575 PolarHBondContact O-N 2.63Å; E572-L635 HydrophobicContact CG-CD2 3.92Å; E572-L636 WeakPolarHBondContact OE2-CB 3.46Å; E572-L636 WeakPolarHBondContact OE2-CG 3.49Å; E572-L636 PolarHBondContact OE2-N 3.33Å
573	K	88.8	Confident	94.7	Very high	179 Å²	179	45 Å²	45	78%	0.778	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.9	-21.3	-174.8	-65.2	-177.1	-178.7	177.2	0	113.9	K541 S571	K541-K573 PolarHBondContact NZ-O 2.77Å; S571-K573 PolarHBondContact O-N 2.65Å; S571-K573 VanDerWaalsContact O-N 3.1Å
574	N	92.5	Very high	94.3	Very high	58 Å²	58	44.3 Å²	44.3	31%	0.31	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.9	-2.3	-177.6	-63.6	-31.3	0	0	0	113.7	K541 D542 E572 K634	K541-N574 CarbonylContact C-O 3.52Å; K541-N574 WeakPolarHBondContact CA-O 3.41Å; D542-N574 PolarHBondContact N-O 2.98Å; E572-N574 PolarHBondContact O-N 3.15Å; E572-N574 VanDerWaalsContact O-N 3.09Å; N574-K634 HydrophobicContact CB-CB 4.49Å
575	L	96.1	Very high	94	Very high	16 Å²	16	42.6 Å²	42.6	8%	0.084	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	136	179.8	176.9	62.4	0	0	0	110.1	D542 Y569 E572 I577 F602 V628 L635	D542-L575 HydrophobicContact CB-CD1 3.87Å; D542-L575 CarbonylContact O-C 3.48Å; D542-L575 WeakPolarHBondContact O-CA 3.33Å; Y569-L575 HydrophobicContact CD1-CD2 4.03Å; Y569-L575 HydrophobicContact CD2-CD2 4.25Å; Y569-L575 HydrophobicContact CG-CD2 3.76Å; E572-L575 HydrophobicContact CB-CB 3.95Å; E572-L575 PolarHBondContact O-N 2.63Å; L575-I577 HydrophobicContact CD1-CD1 4.22Å; L575-I577 HydrophobicContact CD2-CD1 4.06Å; L575-I577 HydrophobicContact CG-CD1 4.05Å; L575-F602 HydrophobicContact CD1-CE2 3.92Å; L575-F602 HydrophobicContact CD1-CZ 4.43Å; L575-V628 HydrophobicContact CD1-CG1 4.28Å; L575-V628 HydrophobicContact CD2-CG1 3.43Å; L575-V628 VanDerWaalsContact CD2-CG1 3.43Å; L575-L635 HydrophobicContact CD2-CD2 4.16Å
576	V	97.1	Very high	93.6	Very high	14 Å²	14	46.2 Å²	46.2	9%	0.085	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	122.7	172.5	-179.8	0	0	0	0	108.5	K525 I535 K541 D542 V543 L544 A578	K525-V576 HydrophobicContact CB-CG1 4.22Å; K525-V576 HydrophobicContact CD-CG1 3.71Å; K525-V576 HydrophobicContact CG-CG1 4.01Å; I535-V576 HydrophobicContact CG2-CG1 4.11Å; K541-V576 HydrophobicContact CB-CG2 4.25Å; K541-V576 HydrophobicContact CG-CG2 4.32Å; D542-V576 PolarHBondContact O-N 3.11Å; V543-V576 CarbonylContact C-O 3.54Å; V543-V576 WeakPolarHBondContact CA-O 3.49Å; V543-V576 HydrophobicContact CG1-CB 4.29Å; V543-V576 HydrophobicContact CG1-CG1 4.46Å; V543-V576 HydrophobicContact CG2-CB 4.16Å; L544-V576 PolarHBondContact N-O 3.49Å; V576-A578 HydrophobicContact CG1-CB 4.23Å
577	I	98	Very high	93.3	Very high	9 Å²	9	47.7 Å²	47.7	5%	0.046	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	121.9	165.2	-51.2	-54.9	0	0	0	107.1	V524 K525 L544 Y562 L565 L575	V524-I577 CarbonylContact C-O 3.53Å; V524-I577 WeakPolarHBondContact CA-O 3.36Å; V524-I577 HydrophobicContact CG1-CG2 4.35Å; V524-I577 HydrophobicContact CG2-CG2 4.06Å; K525-I577 PolarHBondContact N-O 2.94Å; L544-I577 HydrophobicContact CB-CD1 3.81Å; L544-I577 HydrophobicContact CD2-CD1 4.06Å; Y562-I577 HydrophobicContact CD1-CG2 4.2Å; Y562-I577 HydrophobicContact CE1-CG2 3.64Å; L565-I577 HydrophobicContact CD2-CD1 4.45Å; L575-I577 HydrophobicContact CD1-CD1 4.22Å; L575-I577 HydrophobicContact CD2-CD1 4.06Å; L575-I577 HydrophobicContact CG-CD1 4.05Å
578	A	98.1	Very high	92.6	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	155.9	-171.7	0	0	0	0	0	112	K525 V527 V543 L544 I545 E546 Y562 V576	K525-A578 HydrophobicContact CB-CB 4.38Å; K525-A578 CarbonylContact O-C 3.55Å; K525-A578 WeakPolarHBondContact O-CA 3.38Å; V527-A578 HydrophobicContact CG2-CB 3.79Å; V543-A578 HydrophobicContact CG1-CB 4.23Å; L544-A578 PolarHBondContact O-N 3.42Å; I545-A578 WeakPolarHBondContact CA-O 3.42Å; I545-A578 HydrophobicContact CB-CB 4.37Å; I545-A578 HydrophobicContact CG1-CB 4.4Å; E546-A578 PolarHBondContact N-O 3.36Å; Y562-A578 VanDerWaalsContact CE1-O 3.24Å; Y562-A578 WeakPolarHBondContact CE1-O 3.48Å; Y562-A578 PolarHBondContact OH-O 2.94Å; V576-A578 HydrophobicContact CG1-CB 4.23Å
579	K	97.9	Very high	91.9	Very high	28 Å²	28	40.6 Å²	40.6	12%	0.122	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	149.7	172	71.3	-178.7	-170.2	172.8	0	111.8	V524 K525 V527 E546 Y548 E559 Y562	V524-K579 HydrophobicContact CG1-CB 4.01Å; V524-K579 HydrophobicContact CG1-CD 4Å; V524-K579 HydrophobicContact CG1-CG 3.81Å; K525-K579 PolarHBondContact O-N 3.34Å; V527-K579 PolarHBondContact N-O 2.88Å; E546-K579 HydrophobicContact CB-CB 4.26Å; E546-K579 CarbonylContact O-C 3.48Å; E546-K579 VanDerWaalsContact O-CA 3.25Å; E546-K579 WeakPolarHBondContact O-CA 3.49Å; Y548-K579 HydrophobicContact CD1-CB 4.17Å; Y548-K579 HydrophobicContact CE1-CB 4.12Å; Y548-K579 HydrophobicContact CE1-CD 4.05Å; Y548-K579 HydrophobicContact CE1-CG 3.98Å; E559-K579 IonicContact OE1-NZ 2.74Å; E559-K579 PolarHBondContact OE1-NZ 2.89Å; E559-K579 IonicContact OE2-NZ 3.67Å; E559-K579 PolarHBondContact OE2-NZ 2.64Å; Y562-K579 HydrophobicContact CE1-CB 4.33Å
580	M	97.8	Very high	91.4	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	130	-178.5	179.2	173.4	179.2	0	0	110.6	V527 F532 I545 E546 F547 Y548 A582 N585 D586 V587	V527-M580 HydrophobicContact CB-CB 4.23Å; V527-M580 HydrophobicContact CG1-SD 4.23Å; V527-M580 WeakPolarHBondContact O-CA 3.42Å; V527-M580 WeakPolarHBondContact O-CB 3.42Å; V527-M580 WeakPolarHBondContact O-CG 3.17Å; F532-M580 HydrophobicContact CD2-CE 4.37Å; F532-M580 HydrophobicContact CD2-SD 3.63Å; F532-M580 HydrophobicContact CE2-SD 4.03Å; I545-M580 HydrophobicContact CD1-CB 4.17Å; E546-M580 PolarHBondContact O-N 3.47Å; F547-M580 WeakPolarHBondContact CA-O 3.13Å; F547-M580 HydrophobicContact CD1-CB 4.11Å; F547-M580 HydrophobicContact CD1-CG 4.3Å; F547-M580 HydrophobicContact CD1-SD 4.01Å; F547-M580 HydrophobicContact CE1-CB 4.41Å; F547-M580 HydrophobicContact CE1-SD 3.67Å; Y548-M580 VanDerWaalsContact CD1-C 3.46Å; Y548-M580 WeakPolarHBondContact CD1-O 3.45Å; Y548-M580 PolarHBondContact N-O 2.82Å; M580-A582 PolarHBondContact O-N 3.39Å; M580-N585 HydrophobicContact CE-CB 3.31Å; M580-N585 HydrophobicContact CG-CB 4.46Å; M580-D586 WeakPolarHBondContact CE-O 3.46Å; M580-V587 HydrophobicContact CE-CG2 3.99Å; M580-V587 HydrophobicContact SD-CG2 4.29Å
581	D	96.6	Very high	91.3	Very high	12 Å²	12	40.9 Å²	40.9	6%	0.064	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	100.8	168.4	-178.7	-14.6	0	0	0	108.7	Y548 P550 T583 A584 N585	Y548-D581 HydrophobicContact CE1-CB 4.18Å; Y548-D581 HydrophobicContact CE2-CB 4.15Å; P550-D581 WeakPolarHBondContact CD-OD2 3.37Å; P550-D581 WeakPolarHBondContact CG-OD2 3.31Å; D581-T583 PolarHBondContact O-N 3.02Å; D581-T583 WeakPolarHBondContact OD1-CA 3.47Å; D581-T583 WeakPolarHBondContact OD1-CB 3.46Å; D581-T583 PolarHBondContact OD1-N 3.34Å; D581-T583 PolarHBondContact OD1-OG1 2.96Å; D581-A584 HydrophobicContact CB-CB 4.29Å; D581-A584 PolarHBondContact O-N 2.99Å; D581-A584 PolarHBondContact OD1-N 2.65Å; D581-A584 VanDerWaalsContact OD1-N 3.16Å; D581-N585 WeakPolarHBondContact O-CB 3.34Å; D581-N585 PolarHBondContact O-N 3.16Å; D581-N585 VanDerWaalsContact O-N 3.16Å; D581-N585 PolarHBondContact O-ND2 3.4Å
582	A	93.4	Very high	91.5	Very high	22 Å²	22	38.5 Å²	38.5	18%	0.182	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.4	2.5	-178	0	0	0	0	0	113.2	F547 Y548 M580 V587 V594 F597	F547-A582 HydrophobicContact CB-CB 4.05Å; F547-A582 HydrophobicContact CD1-CB 4.16Å; Y548-A582 PolarHBondContact O-N 3.09Å; M580-A582 PolarHBondContact O-N 3.39Å; A582-V587 HydrophobicContact CB-CG2 4.4Å; A582-V594 HydrophobicContact CB-CG1 4.25Å; A582-F597 HydrophobicContact CB-CE1 3.83Å; A582-F597 HydrophobicContact CB-CZ 4.5Å
583	T	89.9	Confident	91.6	Very high	53 Å²	53	43.8 Å²	43.8	33%	0.325	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.8	-29	169.2	72.3	0	0	0	0	111.8	K512 A549 W551 D581 F597	K512-T583 PolarHBondContact NZ-O 2.92Å; A549-T583 HydrophobicContact CB-CG2 3.45Å; A549-T583 VanDerWaalsContact CB-CG2 3.45Å; W551-T583 HydrophobicContact CZ2-CG2 4.46Å; D581-T583 PolarHBondContact O-N 3.02Å; D581-T583 WeakPolarHBondContact OD1-CA 3.47Å; D581-T583 WeakPolarHBondContact OD1-CB 3.46Å; D581-T583 PolarHBondContact OD1-N 3.34Å; D581-T583 PolarHBondContact OD1-OG1 2.96Å; T583-F597 HydrophobicContact CG2-CE2 4.27Å; T583-F597 HydrophobicContact CG2-CZ 3.98Å
584	A	89.3	Confident	91.7	Very high	20 Å²	20	37.4 Å²	37.4	17%	0.165	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.5	-11.9	-178.5	0	0	0	0	0	114	Q514 D581	Q514-A584 HydrophobicContact CG-CB 3.61Å; D581-A584 HydrophobicContact CB-CB 4.29Å; D581-A584 PolarHBondContact O-N 2.99Å; D581-A584 PolarHBondContact OD1-N 2.65Å; D581-A584 VanDerWaalsContact OD1-N 3.16Å
585	N	90	Very high	91.4	Very high	3 Å²	3	41.8 Å²	41.8	2%	0.016	22%	0.223	C	C	.	.	S	Bend	trans	-133.8	141.8	-177.3	-57.1	-93.1	0	0	0	111.3	K512 S513 Q514 V528 G529 M580 D581	K512-N585 CarbonylContact O-C 3.51Å; K512-N585 WeakPolarHBondContact O-CA 3.14Å; S513-N585 WeakPolarHBondContact CA-OD1 3.23Å; Q514-N585 PolarHBondContact N-OD1 3.44Å; Q514-N585 PolarHBondContact OE1-ND2 3.25Å; V528-N585 WeakPolarHBondContact CA-OD1 3.46Å; V528-N585 VanDerWaalsContact CB-OD1 3.31Å; V528-N585 WeakPolarHBondContact CB-OD1 3.43Å; G529-N585 PolarHBondContact N-OD1 3.2Å; G529-N585 VanDerWaalsContact N-OD1 3.09Å; M580-N585 HydrophobicContact CE-CB 3.31Å; M580-N585 HydrophobicContact CG-CB 4.46Å; D581-N585 WeakPolarHBondContact O-CB 3.34Å; D581-N585 PolarHBondContact O-N 3.16Å; D581-N585 VanDerWaalsContact O-N 3.16Å; D581-N585 PolarHBondContact O-ND2 3.4Å
586	D	88.1	Confident	91.2	Very high	76 Å²	76	42.6 Å²	42.6	41%	0.406	24%	0.235	S	C	.	.			trans	-74.9	138.9	167.2	-67	-19.1	0	0	0	109.4	I511 K512 M580 P588	I511-D586 HydrophobicContact CG2-CB 4.04Å; K512-D586 HydrophobicContact CB-CB 4.18Å; K512-D586 WeakPolarHBondContact CB-OD2 3.39Å; K512-D586 PolarHBondContact N-OD2 2.83Å; K512-D586 PolarHBondContact O-N 3.14Å; M580-D586 WeakPolarHBondContact CE-O 3.46Å; D586-P588 VanDerWaalsContact O-CD 3.28Å; D586-P588 WeakPolarHBondContact O-CD 3.48Å
587	V	89.1	Confident	91.1	Very high	33 Å²	33	44.6 Å²	44.6	20%	0.2	24%	0.243	C	C	.	.			trans	-88	108.5	173.6	-175.8	0	0	0	0	107.8	F532 F547 M580 A582 N589 Y592 V594	F532-V587 HydrophobicContact CE2-CG1 3.98Å; F532-V587 HydrophobicContact CZ-CG1 4Å; F547-V587 HydrophobicContact CD1-CG2 3.81Å; F547-V587 HydrophobicContact CE1-CB 4.32Å; F547-V587 HydrophobicContact CE1-CG1 3.73Å; F547-V587 HydrophobicContact CE1-CG2 3.57Å; F547-V587 HydrophobicContact CZ-CG1 3.94Å; F547-V587 HydrophobicContact CZ-CG2 4.49Å; M580-V587 HydrophobicContact CE-CG2 3.99Å; M580-V587 HydrophobicContact SD-CG2 4.29Å; A582-V587 HydrophobicContact CB-CG2 4.4Å; V587-N589 PolarHBondContact O-N 3.47Å; V587-Y592 HydrophobicContact CG1-CG 4.43Å; V587-V594 HydrophobicContact CG2-CG2 4.25Å
588	P	81.1	Confident	90.9	Very high	42 Å²	42	44.3 Å²	44.3	27%	0.273	24%	0.242	S	C	.	.	S	Bend	trans	-69	-1.8	-165.5	-25.3	38.6	0	0	0	116.3	I511 F532 D586	I511-P588 HydrophobicContact CD1-CB 3.73Å; I511-P588 HydrophobicContact CD1-CG 3.77Å; I511-P588 HydrophobicContact CG1-CB 4.35Å; I511-P588 HydrophobicContact CG1-CG 4.29Å; I511-P588 HydrophobicContact CG2-CG 3.82Å; F532-P588 HydrophobicContact CB-CG 3.84Å; F532-P588 HydrophobicContact CD1-CG 4.3Å; F532-P588 HydrophobicContact CG-CG 4.17Å; D586-P588 VanDerWaalsContact O-CD 3.28Å; D586-P588 WeakPolarHBondContact O-CD 3.48Å
589	N	81.6	Confident	90.8	Very high	32 Å²	32	44.9 Å²	44.9	17%	0.171	25%	0.245	C	C	.	.			trans	-135.9	116.7	-174.9	-169.1	-32.1	0	0	0	111.3	F532 M537 V587 I591 Y592	F532-N589 HydrophobicContact CE1-CB 4.46Å; M537-N589 WeakPolarHBondContact CE-ND2 3.5Å; V587-N589 PolarHBondContact O-N 3.47Å; N589-I591 HydrophobicContact CB-CG1 4.45Å; N589-I591 PolarHBondContact O-N 3.41Å; N589-I591 WeakPolarHBondContact OD1-CG1 3.47Å; N589-I591 WeakPolarHBondContact OD1-CG2 3.46Å; N589-I591 PolarHBondContact OD1-N 3.14Å; N589-I591 VanDerWaalsContact OD1-N 3.16Å; N589-Y592 HydrophobicContact CB-CD2 4.08Å; N589-Y592 HydrophobicContact CB-CE2 4.4Å; N589-Y592 PolarHBondContact O-N 2.9Å
590	D	82.8	Confident	90.8	Very high	135 Å²	135	43.7 Å²	43.7	72%	0.722	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.3	-13.6	-174.9	-63	-28.4	0	0	0	114.1	Y592	D590-Y592 PolarHBondContact O-N 3.42Å
591	I	90	Very high	90.8	Very high	54 Å²	54	44.3 Å²	44.3	28%	0.277	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-24.1	173.2	72.5	-169.5	0	0	0	112.3	N589 K593 K608 P611	N589-I591 HydrophobicContact CB-CG1 4.45Å; N589-I591 PolarHBondContact O-N 3.41Å; N589-I591 WeakPolarHBondContact OD1-CG1 3.47Å; N589-I591 WeakPolarHBondContact OD1-CG2 3.46Å; N589-I591 PolarHBondContact OD1-N 3.14Å; N589-I591 VanDerWaalsContact OD1-N 3.16Å; I591-K593 PolarHBondContact O-N 3.04Å; I591-K608 VanDerWaalsContact CD1-O 3.31Å; I591-K608 WeakPolarHBondContact CD1-O 3.47Å; I591-P611 HydrophobicContact CB-CG 4.49Å; I591-P611 HydrophobicContact CD1-CG 4Å; I591-P611 HydrophobicContact CG1-CG 3.93Å
592	Y	92.9	Very high	90.8	Very high	7 Å²	7	43.8 Å²	43.8	3%	0.027	24%	0.24	C	C	.	.	S	Bend	trans	-91.5	81.9	175.9	-64.3	-88.2	0	0	0	109.6	F532 V536 M537 I545 F547 V587 N589 D590 V594 Y601 A603 P611	F532-Y592 AromaticContact CE1-CD2 3.98Å; F532-Y592 HydrophobicContact CE1-CD2 3.98Å; F532-Y592 AromaticContact CE1-CE2 3.78Å; F532-Y592 HydrophobicContact CE1-CE2 3.78Å; F532-Y592 HydrophobicContact CZ-CD1 4.4Å; F532-Y592 AromaticContact CZ-CD2 3.63Å; F532-Y592 HydrophobicContact CZ-CD2 3.63Å; F532-Y592 HydrophobicContact CZ-CE1 4.41Å; F532-Y592 AromaticContact CZ-CE2 3.65Å; F532-Y592 HydrophobicContact CZ-CE2 3.65Å; F532-Y592 HydrophobicContact CZ-CG 4.02Å; V536-Y592 HydrophobicContact CG1-CE1 4.3Å; M537-Y592 HydrophobicContact SD-CE2 3.83Å; I545-Y592 HydrophobicContact CG2-CE1 4.27Å; F547-Y592 AromaticContact CE2-CD1 3.81Å; F547-Y592 HydrophobicContact CE2-CD1 3.81Å; F547-Y592 HydrophobicContact CE2-CG 4.3Å; F547-Y592 AromaticContact CZ-CD1 3.87Å; F547-Y592 HydrophobicContact CZ-CD1 3.87Å; F547-Y592 HydrophobicContact CZ-CG 4.03Å; V587-Y592 HydrophobicContact CG1-CG 4.43Å; N589-Y592 HydrophobicContact CB-CD2 4.08Å; N589-Y592 HydrophobicContact CB-CE2 4.4Å; N589-Y592 PolarHBondContact O-N 2.9Å; D590-Y592 PolarHBondContact O-N 3.42Å; Y592-V594 PolarHBondContact O-N 3.47Å; Y592-Y601 HydrophobicContact CD1-CD1 4.28Å; Y592-Y601 AromaticContact CD1-CD2 3.89Å; Y592-Y601 HydrophobicContact CD1-CD2 3.89Å; Y592-Y601 HydrophobicContact CD1-CE2 4.44Å; Y592-Y601 AromaticContact CD1-CG 3.78Å; Y592-Y601 HydrophobicContact CD1-CG 3.78Å; Y592-Y601 HydrophobicContact CE1-CG 4.21Å; Y592-A603 VanDerWaalsContact OH-CB 3.28Å; Y592-A603 WeakPolarHBondContact OH-CB 3.39Å; Y592-P611 HydrophobicContact CD1-CB 4.41Å; Y592-P611 HydrophobicContact CD1-CG 4.25Å; Y592-P611 HydrophobicContact CE1-CB 3.68Å; Y592-P611 HydrophobicContact CE1-CG 3.85Å; Y592-P611 HydrophobicContact CE2-CG 4.42Å
593	K	91.8	Very high	91	Very high	127 Å²	127	42.7 Å²	42.7	55%	0.552	23%	0.231	S	C	*	.			trans	-76.4	111.4	177.5	-62.7	-174.3	179.4	-176.1	0	110.5	I591 E595 Y601	I591-K593 PolarHBondContact O-N 3.04Å; K593-E595 HydrophobicContact CB-CG 4.43Å; K593-Y601 PolarHBondContact N-OH 2.98Å; K593-Y601 PolarHBondContact O-OH 2.64Å
594	V	91.1	Very high	91.3	Very high	45 Å²	45	40.9 Å²	40.9	27%	0.273	22%	0.22	S	C	.	.			trans	-100.2	89.7	175.3	-174.4	0	0	0	0	108.6	F547 A582 V587 Y592 F597	F547-V594 HydrophobicContact CB-CG1 4.03Å; F547-V594 HydrophobicContact CB-CG2 3.78Å; F547-V594 HydrophobicContact CD1-CG2 3.92Å; F547-V594 HydrophobicContact CD2-CG2 3.85Å; F547-V594 HydrophobicContact CE1-CG2 4.44Å; F547-V594 HydrophobicContact CE2-CG2 4.39Å; F547-V594 HydrophobicContact CG-CG2 3.57Å; A582-V594 HydrophobicContact CB-CG1 4.25Å; V587-V594 HydrophobicContact CG2-CG2 4.25Å; Y592-V594 PolarHBondContact O-N 3.47Å; V594-F597 HydrophobicContact CG1-CD1 4.1Å; V594-F597 HydrophobicContact CG1-CE1 3.56Å; V594-F597 HydrophobicContact CG1-CZ 4.19Å
595	E	87.3	Confident	91.5	Very high	149 Å²	149	41 Å²	41	70%	0.696	22%	0.22	S	C	*	.			trans	-94.8	-7	-177.3	-65.4	166.1	159.1	0	0	112.4	K593 K613	K593-E595 HydrophobicContact CB-CG 4.43Å; E595-K613 IonicContact OE2-NZ 2.77Å
596	G	91.3	Very high	91.6	Very high	33 Å²	33	44 Å²	44	34%	0.34	25%	0.252	S	S	.	.	S	Bend	trans	-173.4	177.1	179.4	0	0	0	0	0	111.7	T599	G596-T599 PolarHBondContact O-OG1 3.33Å
597	F	94.2	Very high	91.8	Very high	57 Å²	57	42.9 Å²	42.9	25%	0.25	25%	0.25	C	C	.	.	S	Bend	trans	-126.1	139.7	-174.7	-56.9	-70.1	0	0	0	113	A549 W551 C552 A582 T583 V594	A549-F597 HydrophobicContact CB-CB 4.2Å; A549-F597 HydrophobicContact CB-CD1 4.01Å; A549-F597 HydrophobicContact CB-CD2 3.6Å; A549-F597 HydrophobicContact CB-CE1 4.27Å; A549-F597 HydrophobicContact CB-CE2 3.9Å; A549-F597 HydrophobicContact CB-CG 3.65Å; A549-F597 HydrophobicContact CB-CZ 4.23Å; W551-F597 HydrophobicContact CH2-CD2 4.03Å; W551-F597 HydrophobicContact CH2-CE2 4.27Å; W551-F597 HydrophobicContact CZ2-CD2 4.24Å; W551-F597 HydrophobicContact CZ2-CE2 4.13Å; C552-F597 HydrophobicContact CB-CB 4.07Å; C552-F597 PolarHBondContact SG-O 3.47Å; A582-F597 HydrophobicContact CB-CE1 3.83Å; A582-F597 HydrophobicContact CB-CZ 4.5Å; T583-F597 HydrophobicContact CG2-CE2 4.27Å; T583-F597 HydrophobicContact CG2-CZ 3.98Å; V594-F597 HydrophobicContact CG1-CD1 4.1Å; V594-F597 HydrophobicContact CG1-CE1 3.56Å; V594-F597 HydrophobicContact CG1-CZ 4.19Å
598	P	94.3	Very high	92.1	Very high	3 Å²	3	41.8 Å²	41.8	2%	0.019	24%	0.242	C	C	.	.	S	Bend	cis	-71.4	149.3	-15.8	26	-30.1	0	0	0	111.6	E546 F547 C555 L558 R619	E546-P598 HydrophobicContact CG-CB 4Å; E546-P598 WeakPolarHBondContact OE1-CB 3.46Å; F547-P598 WeakPolarHBondContact O-CA 3.47Å; C555-P598 WeakPolarHBondContact SG-CD 3.48Å; L558-P598 HydrophobicContact CD2-CB 4.17Å; L558-P598 HydrophobicContact CD2-CG 3.8Å; P598-R619 PolarHBondContact O-NH2 3Å
599	T	96.3	Very high	92.6	Very high	11 Å²	11	45.9 Å²	45.9	7%	0.067	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	131.3	167.4	-71	0	0	0	0	108.5	F547 G596 Y601	F547-T599 PolarHBondContact N-O 2.91Å; F547-T599 PolarHBondContact O-N 2.96Å; G596-T599 PolarHBondContact O-OG1 3.33Å; T599-Y601 HydrophobicContact CG2-CD2 3.83Å; T599-Y601 HydrophobicContact CG2-CE2 3.36Å
600	I	97.3	Very high	93.2	Very high	3 Å²	3	47.9 Å²	47.9	2%	0.015	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	133.5	-175.5	-56	169.7	0	0	0	109.6	L544 I545 E546 L558 F614 L624	L544-I600 HydrophobicContact CD1-CG2 3.72Å; L544-I600 HydrophobicContact CG-CG2 4.08Å; I545-I600 WeakPolarHBondContact O-CA 3.41Å; E546-I600 HydrophobicContact CB-CG1 4.27Å; E546-I600 HydrophobicContact CG-CG1 4.18Å; L558-I600 HydrophobicContact CD2-CD1 3.88Å; I600-F614 HydrophobicContact CB-CB 4.03Å; I600-F614 HydrophobicContact CG2-CB 4.26Å; I600-F614 PolarHBondContact O-N 3.15Å; I600-L624 HydrophobicContact CD1-CD2 3.95Å
601	Y	97.9	Very high	93.8	Very high	14 Å²	14	42.6 Å²	42.6	6%	0.055	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	146	174	-76.2	-92.6	0	0	0	111	L544 I545 F547 Y592 K593 T599 P611 V612 K613	L544-Y601 WeakPolarHBondContact CA-O 3.29Å; I545-Y601 PolarHBondContact N-O 3.32Å; I545-Y601 PolarHBondContact O-N 3.02Å; F547-Y601 HydrophobicContact CD2-CD2 4.15Å; F547-Y601 AromaticContact CE2-CD2 3.82Å; F547-Y601 HydrophobicContact CE2-CD2 3.82Å; F547-Y601 HydrophobicContact CE2-CE2 4.47Å; Y592-Y601 HydrophobicContact CD1-CD1 4.28Å; Y592-Y601 AromaticContact CD1-CD2 3.89Å; Y592-Y601 HydrophobicContact CD1-CD2 3.89Å; Y592-Y601 HydrophobicContact CD1-CE2 4.44Å; Y592-Y601 AromaticContact CD1-CG 3.78Å; Y592-Y601 HydrophobicContact CD1-CG 3.78Å; Y592-Y601 HydrophobicContact CE1-CG 4.21Å; K593-Y601 PolarHBondContact N-OH 2.98Å; K593-Y601 PolarHBondContact O-OH 2.64Å; T599-Y601 HydrophobicContact CG2-CD2 3.83Å; T599-Y601 HydrophobicContact CG2-CE2 3.36Å; Y601-P611 HydrophobicContact CD1-CB 3.94Å; Y601-P611 HydrophobicContact CD1-CG 4.13Å; Y601-V612 CarbonylContact C-O 3.58Å; Y601-V612 WeakPolarHBondContact CA-O 3.4Å; Y601-K613 HydrophobicContact CD1-CB 3.9Å; Y601-K613 HydrophobicContact CD1-CG 4.35Å; Y601-K613 HydrophobicContact CE1-CB 3.53Å; Y601-K613 HydrophobicContact CE1-CD 4.3Å; Y601-K613 HydrophobicContact CE1-CG 3.86Å; Y601-K613 HydrophobicContact CE2-CG 4.36Å
602	F	97.4	Very high	94.1	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	119.8	164.6	-168.7	-90.2	0	0	0	109.5	D542 V543 L544 L575 P604 P611 V612 F627 V628 H631 A632	D542-F602 HydrophobicContact CB-CE1 4.23Å; D542-F602 HydrophobicContact CB-CE2 4.34Å; D542-F602 HydrophobicContact CB-CZ 3.62Å; V543-F602 CarbonylContact O-C 3.47Å; V543-F602 WeakPolarHBondContact O-CA 3.45Å; L544-F602 HydrophobicContact CB-CD2 4.11Å; L544-F602 HydrophobicContact CD1-CB 4.14Å; L544-F602 HydrophobicContact CD1-CD2 3.89Å; L575-F602 HydrophobicContact CD1-CE2 3.92Å; L575-F602 HydrophobicContact CD1-CZ 4.43Å; F602-P604 HydrophobicContact CD1-CG 3.98Å; F602-P604 HydrophobicContact CE1-CB 4.23Å; F602-P604 HydrophobicContact CE1-CG 4.18Å; F602-P604 WeakPolarHBondContact O-CD 3.19Å; F602-P611 CarbonylContact O-C 3.55Å; F602-P611 VanDerWaalsContact O-CA 3.3Å; F602-P611 WeakPolarHBondContact O-CA 3.36Å; F602-V612 PolarHBondContact N-O 3.09Å; F602-V612 PolarHBondContact O-N 3.14Å; F602-F627 HydrophobicContact CB-CE1 3.67Å; F602-F627 HydrophobicContact CB-CZ 4.11Å; F602-V628 HydrophobicContact CD2-CG2 4.39Å; F602-V628 HydrophobicContact CE2-CB 4.48Å; F602-V628 HydrophobicContact CE2-CG1 4.32Å; F602-V628 HydrophobicContact CE2-CG2 4.26Å; F602-H631 HydrophobicContact CD1-CB 3.5Å; F602-H631 VanDerWaalsContact CE1-C 3.46Å; F602-H631 HydrophobicContact CE1-CB 3.72Å; F602-H631 VanDerWaalsContact CE1-O 3.23Å; F602-H631 WeakPolarHBondContact CE1-O 3.46Å; F602-H631 HydrophobicContact CG-CB 4Å; F602-H631 HydrophobicContact CZ-CB 4.36Å; F602-A632 HydrophobicContact CZ-CB 3.94Å
603	A	97.1	Very high	94.2	Very high	0 Å²	0	45 Å²	45	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	99.3	178.6	0	0	0	0	0	109.8	V536 V543 Y592 K608 P611	V536-A603 HydrophobicContact CG1-CB 4.37Å; V543-A603 HydrophobicContact CB-CB 4.36Å; V543-A603 PolarHBondContact N-O 3.25Å; V543-A603 PolarHBondContact O-N 2.74Å; Y592-A603 VanDerWaalsContact OH-CB 3.28Å; Y592-A603 WeakPolarHBondContact OH-CB 3.39Å; A603-K608 HydrophobicContact CB-CD 4Å; A603-K608 PolarHBondContact O-NZ 2.95Å; A603-P611 HydrophobicContact CB-CB 4.39Å
604	P	96	Very high	94.4	Very high	14 Å²	14	40.2 Å²	40.2	9%	0.091	24%	0.239	C	C	.	.			trans	-67.4	147.4	-174.8	-14.9	28.3	0	0	0	112.5	F602 G606 S607 K608 T633	F602-P604 HydrophobicContact CD1-CG 3.98Å; F602-P604 HydrophobicContact CE1-CB 4.23Å; F602-P604 HydrophobicContact CE1-CG 4.18Å; F602-P604 WeakPolarHBondContact O-CD 3.19Å; P604-G606 PolarHBondContact O-N 2.82Å; P604-S607 CarbonylContact O-C 3.57Å; P604-S607 PolarHBondContact O-N 2.82Å; P604-S607 VanDerWaalsContact O-N 3.1Å; P604-K608 WeakPolarHBondContact O-CD 3.24Å; P604-T633 HydrophobicContact CB-CG2 3.85Å
605	S	94.5	Very high	94.3	Very high	24 Å²	24	45 Å²	45	17%	0.168	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.7	136.1	168.7	-167	0	0	0	0	110.1	T539 Q540 K541 D542 S607 T633	T539-S605 PolarHBondContact O-OG 2.85Å; Q540-S605 VanDerWaalsContact C-OG 3.23Å; Q540-S605 PolarHBondContact O-OG 2.82Å; K541-S605 WeakPolarHBondContact O-CA 3.37Å; K541-S605 PolarHBondContact O-N 3.17Å; D542-S605 WeakPolarHBondContact OD1-CB 3.35Å; D542-S605 PolarHBondContact OD1-N 2.97Å; S605-S607 PolarHBondContact O-N 2.87Å; S605-S607 VanDerWaalsContact O-N 3.07Å; S605-T633 WeakPolarHBondContact CB-OG1 3.07Å
606	G	91.9	Very high	93.3	Very high	66 Å²	66	42.4 Å²	42.4	68%	0.68	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.5	-6.1	-176.1	0	0	0	0	0	117	T539 P604	T539-G606 PolarHBondContact O-N 3.02Å; P604-G606 PolarHBondContact O-N 2.82Å
607	S	93.1	Very high	92.5	Very high	52 Å²	52	42.8 Å²	42.8	36%	0.364	28%	0.275	S	S	.	.			trans	-132.5	43.3	-176.5	-167.9	0	0	0	0	113.2	P604 S605 Q609 S610	P604-S607 CarbonylContact O-C 3.57Å; P604-S607 PolarHBondContact O-N 2.82Å; P604-S607 VanDerWaalsContact O-N 3.1Å; S605-S607 PolarHBondContact O-N 2.87Å; S605-S607 VanDerWaalsContact O-N 3.07Å; S607-Q609 PolarHBondContact O-N 3.01Å; S607-S610 PolarHBondContact O-N 3.43Å
608	K	93.5	Very high	92	Very high	10 Å²	10	46.2 Å²	46.2	4%	0.043	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-20.3	-173.8	-61.7	-60	-174	172.4	0	115.7	V536 M537 D538 T539 K541 I591 A603 P604 S610	V536-K608 WeakPolarHBondContact O-CD 3.26Å; V536-K608 VanDerWaalsContact O-CE 3.29Å; V536-K608 WeakPolarHBondContact O-CE 3.33Å; V536-K608 PolarHBondContact O-NZ 3.14Å; M537-K608 HydrophobicContact CE-CB 3.67Å; M537-K608 HydrophobicContact SD-CB 4.1Å; D538-K608 VanDerWaalsContact C-CE 3.49Å; D538-K608 WeakPolarHBondContact O-CE 3.44Å; D538-K608 PolarHBondContact O-NZ 3.35Å; T539-K608 HydrophobicContact CG2-CG 4.41Å; K541-K608 VanDerWaalsContact O-CE 3.25Å; K541-K608 WeakPolarHBondContact O-CE 3.46Å; K541-K608 PolarHBondContact O-NZ 2.88Å; I591-K608 VanDerWaalsContact CD1-O 3.31Å; I591-K608 WeakPolarHBondContact CD1-O 3.47Å; A603-K608 HydrophobicContact CB-CD 4Å; A603-K608 PolarHBondContact O-NZ 2.95Å; P604-K608 WeakPolarHBondContact O-CD 3.24Å; K608-S610 PolarHBondContact O-N 2.88Å
609	Q	91.9	Very high	91.7	Very high	127 Å²	127	50.4 Å²	50.4	59%	0.593	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.1	1.2	176.2	-57.1	-58.7	-23.9	0	0	112.9	S607	S607-Q609 PolarHBondContact O-N 3.01Å
610	S	93.8	Very high	91.6	Very high	75 Å²	75	52.2 Å²	52.2	52%	0.524	32%	0.323	S	S	.	.	S	Bend	trans	-136.5	63.7	178.5	-54	0	0	0	0	110.4	S607 K608	S607-S610 PolarHBondContact O-N 3.43Å; K608-S610 PolarHBondContact O-N 2.88Å
611	P	96.1	Very high	91.3	Very high	24 Å²	24	53.2 Å²	53.2	16%	0.156	33%	0.329	C	S	.	.	P	Polyproline II helix	trans	-67.5	145.5	175.3	32.1	-36	0	0	0	110.2	I591 Y592 Y601 F602 A603	I591-P611 HydrophobicContact CB-CG 4.49Å; I591-P611 HydrophobicContact CD1-CG 4Å; I591-P611 HydrophobicContact CG1-CG 3.93Å; Y592-P611 HydrophobicContact CD1-CB 4.41Å; Y592-P611 HydrophobicContact CD1-CG 4.25Å; Y592-P611 HydrophobicContact CE1-CB 3.68Å; Y592-P611 HydrophobicContact CE1-CG 3.85Å; Y592-P611 HydrophobicContact CE2-CG 4.42Å; Y601-P611 HydrophobicContact CD1-CB 3.94Å; Y601-P611 HydrophobicContact CD1-CG 4.13Å; F602-P611 CarbonylContact O-C 3.55Å; F602-P611 VanDerWaalsContact O-CA 3.3Å; F602-P611 WeakPolarHBondContact O-CA 3.36Å; A603-P611 HydrophobicContact CB-CB 4.39Å
612	V	96.3	Very high	91.1	Very high	46 Å²	46	58.3 Å²	58.3	28%	0.279	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	118.5	179.5	-172.7	0	0	0	0	108.4	Y601 F602 F627	Y601-V612 CarbonylContact C-O 3.58Å; Y601-V612 WeakPolarHBondContact CA-O 3.4Å; F602-V612 PolarHBondContact N-O 3.09Å; F602-V612 PolarHBondContact O-N 3.14Å; V612-F627 HydrophobicContact CB-CZ 4.35Å; V612-F627 HydrophobicContact CG1-CE2 4.13Å; V612-F627 HydrophobicContact CG1-CZ 4Å
613	K	96.2	Very high	90.9	Very high	64 Å²	64	59.6 Å²	59.6	28%	0.278	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	137	174.9	-165.6	176.6	179.4	-177.6	0	109.4	E595 Y601 E615	E595-K613 IonicContact OE2-NZ 2.77Å; Y601-K613 HydrophobicContact CD1-CB 3.9Å; Y601-K613 HydrophobicContact CD1-CG 4.35Å; Y601-K613 HydrophobicContact CE1-CB 3.53Å; Y601-K613 HydrophobicContact CE1-CD 4.3Å; Y601-K613 HydrophobicContact CE1-CG 3.86Å; Y601-K613 HydrophobicContact CE2-CG 4.36Å; K613-E615 HydrophobicContact CB-CG 4.3Å; K613-E615 HydrophobicContact CD-CG 4.27Å; K613-E615 HydrophobicContact CG-CG 4.18Å; K613-E615 PolarHBondContact O-N 2.79Å
614	F	94.8	Very high	90.8	Very high	27 Å²	27	59.6 Å²	59.6	12%	0.118	36%	0.364	C	S	.	.			trans	-77.9	115.6	169.8	-178.8	-102.7	0	0	0	109.4	I600 R619 L624 F627	I600-F614 HydrophobicContact CB-CB 4.03Å; I600-F614 HydrophobicContact CG2-CB 4.26Å; I600-F614 PolarHBondContact O-N 3.15Å; F614-R619 HydrophobicContact CE1-CG 4.03Å; F614-L624 HydrophobicContact CD1-CD2 4.36Å; F614-L624 HydrophobicContact CD2-CD2 4.37Å; F614-L624 HydrophobicContact CE1-CD2 4.22Å; F614-L624 HydrophobicContact CE2-CD2 4.22Å; F614-L624 HydrophobicContact CG-CD2 4.43Å; F614-L624 HydrophobicContact CZ-CD2 4.13Å; F614-F627 HydrophobicContact CB-CD1 4.3Å; F614-F627 HydrophobicContact CB-CE1 3.83Å; F614-F627 HydrophobicContact CB-CZ 3.97Å; F614-F627 HydrophobicContact CD2-CB 3.94Å; F614-F627 AromaticContact CD2-CD1 3.65Å; F614-F627 HydrophobicContact CD2-CD1 3.65Å; F614-F627 AromaticContact CD2-CD2 3.72Å; F614-F627 HydrophobicContact CD2-CD2 3.72Å; F614-F627 AromaticContact CD2-CE1 3.99Å; F614-F627 HydrophobicContact CD2-CE1 3.99Å; F614-F627 HydrophobicContact CD2-CE2 4.06Å; F614-F627 AromaticContact CD2-CG 3.5Å; F614-F627 HydrophobicContact CD2-CG 3.5Å; F614-F627 VanDerWaalsContact CD2-CG 3.5Å; F614-F627 HydrophobicContact CD2-CZ 4.2Å; F614-F627 HydrophobicContact CE2-CB 3.95Å; F614-F627 HydrophobicContact CE2-CD1 4.48Å; F614-F627 HydrophobicContact CE2-CD2 4.32Å; F614-F627 HydrophobicContact CE2-CG 4.03Å; F614-F627 HydrophobicContact CG-CD1 4.39Å; F614-F627 HydrophobicContact CG-CE1 4.39Å
615	E	88.4	Confident	90.7	Very high	146 Å²	146	59 Å²	59	68%	0.682	36%	0.359	S	S	*	.			trans	-123.6	140	-177.8	-62.7	-167	158.6	0	0	111.7	K613 G617	K613-E615 HydrophobicContact CB-CG 4.3Å; K613-E615 HydrophobicContact CD-CG 4.27Å; K613-E615 HydrophobicContact CG-CG 4.18Å; K613-E615 PolarHBondContact O-N 2.79Å; E615-G617 PolarHBondContact O-N 2.95Å
616	G	67.4	Low	90.6	Very high	94 Å²	94	64.9 Å²	64.9	97%	0.969	38%	0.382	S	S	*	.	S	Bend	trans	70.1	30.8	158.7	0	0	0	0	0	118.3
617	G	73.9	Confident	90.8	Very high	41 Å²	41	62.5 Å²	62.5	42%	0.423	35%	0.353	S	S	.	.	S	Bend	trans	-142.9	164.5	175.7	0	0	0	0	0	114.2	E615	E615-G617 PolarHBondContact O-N 2.95Å
618	D	83.6	Confident	90.9	Very high	129 Å²	129	60 Å²	60	69%	0.69	34%	0.336	S	S	*	.			trans	-61	144.7	173.3	-69.7	-32.1	0	0	0	110.7	T620 A623	D618-T620 VanDerWaalsContact C-N 3.3Å; D618-T620 HydrophobicContact CB-CG2 4.23Å; D618-T620 PolarHBondContact O-N 3.5Å; D618-A623 WeakPolarHBondContact O-CB 3.46Å
619	R	89.4	Confident	90.8	Very high	92 Å²	92	64.4 Å²	64.4	35%	0.347	36%	0.356	S	S	.	.			trans	-97.5	41.4	-174.9	-61.8	172.8	171.5	168.3	-12.9	111.8	L558 P598 F614	L558-R619 HydrophobicContact CD1-CB 3.8Å; L558-R619 WeakPolarHBondContact CD1-O 3.31Å; P598-R619 PolarHBondContact O-NH2 3Å; F614-R619 HydrophobicContact CE1-CG 4.03Å
620	T	92.3	Very high	90.9	Very high	49 Å²	49	65.3 Å²	65.3	30%	0.301	36%	0.361	S	S	.	.	S	Bend	trans	-85.2	167.7	176.7	76.4	0	0	0	0	111.6	D618 E622 A623 L624	D618-T620 VanDerWaalsContact C-N 3.3Å; D618-T620 HydrophobicContact CB-CG2 4.23Å; D618-T620 PolarHBondContact O-N 3.5Å; T620-E622 WeakPolarHBondContact CB-OE2 3.45Å; T620-E622 PolarHBondContact O-N 3.37Å; T620-E622 PolarHBondContact OG1-N 2.76Å; T620-E622 PolarHBondContact OG1-OE2 3.26Å; T620-A623 PolarHBondContact O-N 3.39Å; T620-A623 PolarHBondContact OG1-N 3.41Å; T620-L624 WeakPolarHBondContact O-CB 3.39Å; T620-L624 WeakPolarHBondContact O-CG 3.03Å; T620-L624 PolarHBondContact O-N 3.22Å
621	V	92.9	Very high	90.8	Very high	23 Å²	23	64.2 Å²	64.2	14%	0.139	35%	0.347	C	S	.	.	H	α-helix	trans	-56.1	-40.5	175.4	-175	0	0	0	0	111.6	D561 A564 L565 K568 G625	D561-V621 HydrophobicContact CB-CG2 3.88Å; D561-V621 WeakPolarHBondContact O-CG2 3.33Å; A564-V621 HydrophobicContact CB-CG2 3.76Å; L565-V621 HydrophobicContact CB-CG1 4.47Å; L565-V621 HydrophobicContact CD1-CG1 4.16Å; L565-V621 WeakPolarHBondContact CD1-O 3.39Å; K568-V621 HydrophobicContact CD-CG1 4.45Å; V621-G625 WeakPolarHBondContact O-CA 3.47Å; V621-G625 PolarHBondContact O-N 3.43Å
622	E	92.7	Very high	90.6	Very high	122 Å²	122	64.1 Å²	64.1	57%	0.57	35%	0.349	S	S	*	.	H	α-helix	trans	-68.8	-47.1	-178.3	-61.7	70.5	-150.5	0	0	111.3	T620 G625 K626	T620-E622 WeakPolarHBondContact CB-OE2 3.45Å; T620-E622 PolarHBondContact O-N 3.37Å; T620-E622 PolarHBondContact OG1-N 2.76Å; T620-E622 PolarHBondContact OG1-OE2 3.26Å; E622-G625 PolarHBondContact O-N 3.46Å; E622-K626 WeakPolarHBondContact O-CG 3.39Å; E622-K626 PolarHBondContact O-N 3.26Å
623	A	92.8	Very high	90.2	Very high	27 Å²	27	65.1 Å²	65.1	22%	0.223	36%	0.355	C	S	.	.	H	α-helix	trans	-66.5	-45.5	-178.5	0	0	0	0	0	111.8	D618 T620 G625 K626 F627	D618-A623 WeakPolarHBondContact O-CB 3.46Å; T620-A623 PolarHBondContact O-N 3.39Å; T620-A623 PolarHBondContact OG1-N 3.41Å; A623-G625 VanDerWaalsContact C-N 3.31Å; A623-G625 PolarHBondContact O-N 3.35Å; A623-K626 PolarHBondContact O-N 3.3Å; A623-F627 PolarHBondContact O-N 3.13Å
624	L	95.2	Very high	89.4	Confident	0 Å²	0	68.4 Å²	68.4	0%	0	37%	0.369	C	S	.	.	H	α-helix	trans	-66.1	-35.1	174.4	-66.8	172.5	0	0	0	111.9	L558 Y562 L565 I600 F614 T620 F627 V628	L558-L624 HydrophobicContact CD1-CD1 4.02Å; Y562-L624 HydrophobicContact CD2-CD1 3.92Å; Y562-L624 HydrophobicContact CE2-CD1 4.4Å; L565-L624 HydrophobicContact CD1-CB 4.08Å; L565-L624 HydrophobicContact CD2-CB 3.62Å; L565-L624 HydrophobicContact CD2-CD1 4.15Å; L565-L624 HydrophobicContact CG-CB 4.48Å; I600-L624 HydrophobicContact CD1-CD2 3.95Å; F614-L624 HydrophobicContact CD1-CD2 4.36Å; F614-L624 HydrophobicContact CD2-CD2 4.37Å; F614-L624 HydrophobicContact CE1-CD2 4.22Å; F614-L624 HydrophobicContact CE2-CD2 4.22Å; F614-L624 HydrophobicContact CG-CD2 4.43Å; F614-L624 HydrophobicContact CZ-CD2 4.13Å; T620-L624 WeakPolarHBondContact O-CB 3.39Å; T620-L624 WeakPolarHBondContact O-CG 3.03Å; T620-L624 PolarHBondContact O-N 3.22Å; L624-F627 PolarHBondContact O-N 2.88Å; L624-V628 WeakPolarHBondContact O-CG2 3.36Å; L624-V628 PolarHBondContact O-N 3.19Å
625	G	93.9	Very high	88.6	Confident	0 Å²	0	69.5 Å²	69.5	0%	0	38%	0.376	C	S	.	.	H	α-helix	trans	-61.9	-46.8	173.8	0	0	0	0	0	112.6	Y569 V621 E622 A623 F627 V628 E629	Y569-G625 WeakPolarHBondContact OH-CA 3.29Å; Y569-G625 PolarHBondContact OH-O 3.32Å; V621-G625 WeakPolarHBondContact O-CA 3.47Å; V621-G625 PolarHBondContact O-N 3.43Å; E622-G625 PolarHBondContact O-N 3.46Å; A623-G625 VanDerWaalsContact C-N 3.31Å; A623-G625 PolarHBondContact O-N 3.35Å; G625-F627 VanDerWaalsContact C-N 3.3Å; G625-F627 PolarHBondContact O-N 3.26Å; G625-V628 PolarHBondContact O-N 3.39Å; G625-E629 WeakPolarHBondContact O-CB 3.32Å; G625-E629 VanDerWaalsContact O-CG 3.3Å; G625-E629 WeakPolarHBondContact O-CG 3.44Å; G625-E629 PolarHBondContact O-N 3.13Å
626	K	93.4	Very high	87.4	Confident	148 Å²	148	68 Å²	68	64%	0.643	37%	0.372	S	S	*	.	H	α-helix	trans	-59.6	-42.1	174.3	-75.8	178.7	-178.9	177.5	0	111.8	E622 A623 E629 Q630	E622-K626 WeakPolarHBondContact O-CG 3.39Å; E622-K626 PolarHBondContact O-N 3.26Å; A623-K626 PolarHBondContact O-N 3.3Å; K626-E629 PolarHBondContact O-N 3.14Å; K626-Q630 VanDerWaalsContact O-CB 3.32Å; K626-Q630 WeakPolarHBondContact O-CB 3.43Å; K626-Q630 PolarHBondContact O-N 3.05Å
627	F	94.9	Very high	86.8	Confident	17 Å²	17	72.8 Å²	72.8	8%	0.075	37%	0.366	C	S	.	.	H	α-helix	trans	-62.5	-45.2	176.9	-177.7	-113.9	0	0	0	112	L544 F602 V612 F614 A623 L624 G625 E629 Q630 H631	L544-F627 HydrophobicContact CD1-CD1 3.97Å; L544-F627 HydrophobicContact CD1-CE1 3.99Å; F602-F627 HydrophobicContact CB-CE1 3.67Å; F602-F627 HydrophobicContact CB-CZ 4.11Å; V612-F627 HydrophobicContact CB-CZ 4.35Å; V612-F627 HydrophobicContact CG1-CE2 4.13Å; V612-F627 HydrophobicContact CG1-CZ 4Å; F614-F627 HydrophobicContact CB-CD1 4.3Å; F614-F627 HydrophobicContact CB-CE1 3.83Å; F614-F627 HydrophobicContact CB-CZ 3.97Å; F614-F627 HydrophobicContact CD2-CB 3.94Å; F614-F627 AromaticContact CD2-CD1 3.65Å; F614-F627 HydrophobicContact CD2-CD1 3.65Å; F614-F627 AromaticContact CD2-CD2 3.72Å; F614-F627 HydrophobicContact CD2-CD2 3.72Å; F614-F627 AromaticContact CD2-CE1 3.99Å; F614-F627 HydrophobicContact CD2-CE1 3.99Å; F614-F627 HydrophobicContact CD2-CE2 4.06Å; F614-F627 AromaticContact CD2-CG 3.5Å; F614-F627 HydrophobicContact CD2-CG 3.5Å; F614-F627 VanDerWaalsContact CD2-CG 3.5Å; F614-F627 HydrophobicContact CD2-CZ 4.2Å; F614-F627 HydrophobicContact CE2-CB 3.95Å; F614-F627 HydrophobicContact CE2-CD1 4.48Å; F614-F627 HydrophobicContact CE2-CD2 4.32Å; F614-F627 HydrophobicContact CE2-CG 4.03Å; F614-F627 HydrophobicContact CG-CD1 4.39Å; F614-F627 HydrophobicContact CG-CE1 4.39Å; A623-F627 PolarHBondContact O-N 3.13Å; L624-F627 PolarHBondContact O-N 2.88Å; G625-F627 VanDerWaalsContact C-N 3.3Å; G625-F627 PolarHBondContact O-N 3.26Å; F627-E629 VanDerWaalsContact C-N 3.34Å; F627-E629 PolarHBondContact O-N 3.1Å; F627-Q630 PolarHBondContact O-N 3.25Å; F627-H631 AromaticContact CD2-CD2 3.38Å; F627-H631 WeakPolarHBondContact CD2-CD2 3.37Å; F627-H631 AromaticContact CD2-NE2 3.6Å; F627-H631 AromaticContact CE2-CD2 3.22Å; F627-H631 WeakPolarHBondContact CE2-CD2 3.4Å; F627-H631 AromaticContact CE2-NE2 3.26Å; F627-H631 VanDerWaalsContact CE2-NE2 3.26Å; F627-H631 WeakPolarHBondContact CE2-NE2 3.24Å; F627-H631 AromaticContact CZ-CD2 3.81Å; F627-H631 PolarHBondContact O-CD2 3.33Å; F627-H631 PolarHBondContact O-N 3.09Å
628	V	94.6	Very high	85.9	Confident	0 Å²	0	79.3 Å²	79.3	0%	0	38%	0.378	C	S	.	.	H	α-helix	trans	-58.1	-47.6	172.7	166	0	0	0	0	110.8	L544 Y569 L575 F602 L624 G625 Q630 H631 A632 L635	L544-V628 HydrophobicContact CB-CG2 4.35Å; L544-V628 HydrophobicContact CD1-CG2 4.3Å; L544-V628 HydrophobicContact CD2-CG2 3.82Å; L544-V628 HydrophobicContact CG-CG2 4.39Å; Y569-V628 HydrophobicContact CE1-CG1 4.47Å; Y569-V628 HydrophobicContact CE2-CG1 4.32Å; L575-V628 HydrophobicContact CD1-CG1 4.28Å; L575-V628 HydrophobicContact CD2-CG1 3.43Å; L575-V628 VanDerWaalsContact CD2-CG1 3.43Å; F602-V628 HydrophobicContact CD2-CG2 4.39Å; F602-V628 HydrophobicContact CE2-CB 4.48Å; F602-V628 HydrophobicContact CE2-CG1 4.32Å; F602-V628 HydrophobicContact CE2-CG2 4.26Å; L624-V628 WeakPolarHBondContact O-CG2 3.36Å; L624-V628 PolarHBondContact O-N 3.19Å; G625-V628 PolarHBondContact O-N 3.39Å; V628-Q630 VanDerWaalsContact C-N 3.3Å; V628-Q630 PolarHBondContact O-N 3.01Å; V628-H631 PolarHBondContact O-N 2.7Å; V628-A632 WeakPolarHBondContact O-CB 3.41Å; V628-A632 PolarHBondContact O-N 2.81Å; V628-L635 HydrophobicContact CG1-CD1 4.47Å
629	E	92.8	Very high	83.8	Confident	101 Å²	101	80 Å²	80	47%	0.472	38%	0.382	S	S	.	.	H	α-helix	trans	-63.9	-34	-179.2	-73.2	161.5	-163.4	0	0	113.1	K568 Y569 G625 K626 F627 L635	K568-E629 IonicContact NZ-OE1 2.66Å; K568-E629 PolarHBondContact NZ-OE1 2.99Å; Y569-E629 PolarHBondContact OH-OE1 2.91Å; G625-E629 WeakPolarHBondContact O-CB 3.32Å; G625-E629 VanDerWaalsContact O-CG 3.3Å; G625-E629 WeakPolarHBondContact O-CG 3.44Å; G625-E629 PolarHBondContact O-N 3.13Å; K626-E629 PolarHBondContact O-N 3.14Å; F627-E629 VanDerWaalsContact C-N 3.34Å; F627-E629 PolarHBondContact O-N 3.1Å; E629-L635 HydrophobicContact CB-CD1 4.22Å; E629-L635 HydrophobicContact CG-CD1 3.84Å
630	Q	92.9	Very high	81.2	Confident	147 Å²	147	85.1 Å²	85.1	69%	0.687	41%	0.41	S	S	*	.	H	α-helix	trans	-69.9	-34.1	177.1	-178.3	176.1	-2.8	0	0	112.9	K626 F627 V628	K626-Q630 VanDerWaalsContact O-CB 3.32Å; K626-Q630 WeakPolarHBondContact O-CB 3.43Å; K626-Q630 PolarHBondContact O-N 3.05Å; F627-Q630 PolarHBondContact O-N 3.25Å; V628-Q630 VanDerWaalsContact C-N 3.3Å; V628-Q630 PolarHBondContact O-N 3.01Å
631	H	92.7	Very high	78.3	Confident	51 Å²	51	94 Å²	94	24%	0.236	45%	0.454	C	S	.	.	H	α-helix	trans	-109.2	-14.6	-171.2	-67.3	-66.6	0	0	0	114.8	F602 F627 V628	F602-H631 HydrophobicContact CD1-CB 3.5Å; F602-H631 VanDerWaalsContact CE1-C 3.46Å; F602-H631 HydrophobicContact CE1-CB 3.72Å; F602-H631 VanDerWaalsContact CE1-O 3.23Å; F602-H631 WeakPolarHBondContact CE1-O 3.46Å; F602-H631 HydrophobicContact CG-CB 4Å; F602-H631 HydrophobicContact CZ-CB 4.36Å; F627-H631 AromaticContact CD2-CD2 3.38Å; F627-H631 WeakPolarHBondContact CD2-CD2 3.37Å; F627-H631 AromaticContact CD2-NE2 3.6Å; F627-H631 AromaticContact CE2-CD2 3.22Å; F627-H631 WeakPolarHBondContact CE2-CD2 3.4Å; F627-H631 AromaticContact CE2-NE2 3.26Å; F627-H631 VanDerWaalsContact CE2-NE2 3.26Å; F627-H631 WeakPolarHBondContact CE2-NE2 3.24Å; F627-H631 AromaticContact CZ-CD2 3.81Å; F627-H631 PolarHBondContact O-CD2 3.33Å; F627-H631 PolarHBondContact O-N 3.09Å; V628-H631 PolarHBondContact O-N 2.7Å
632	A	91.1	Very high	77.5	Confident	23 Å²	23	97.6 Å²	97.6	19%	0.19	47%	0.47	C	S	.	.			trans	-65.4	139.1	-179.3	0	0	0	0	0	112.6	F602 V628 L635	F602-A632 HydrophobicContact CZ-CB 3.94Å; V628-A632 WeakPolarHBondContact O-CB 3.41Å; V628-A632 PolarHBondContact O-N 2.81Å; A632-L635 HydrophobicContact CB-CD1 3.52Å; A632-L635 HydrophobicContact CB-CD2 4.23Å; A632-L635 HydrophobicContact CB-CG 3.47Å; A632-L635 VanDerWaalsContact CB-CG 3.47Å
633	T	88.1	Confident	76.7	Confident	67 Å²	67	96.3 Å²	96.3	41%	0.411	47%	0.465	S	S	.	.	S	Bend	trans	-84.7	-31	-177.7	61.6	0	0	0	0	111.5	D542 P604 S605	D542-T633 VanDerWaalsContact CG-OG1 3.24Å; D542-T633 WeakPolarHBondContact OD1-CG2 3.41Å; D542-T633 PolarHBondContact OD1-OG1 3.21Å; D542-T633 PolarHBondContact OD2-N 2.82Å; D542-T633 PolarHBondContact OD2-OG1 3.28Å; P604-T633 HydrophobicContact CB-CG2 3.85Å; S605-T633 WeakPolarHBondContact CB-OG1 3.07Å
634	K	78.8	Confident	75.8	Confident	132 Å²	132	100.1 Å²	100.1	57%	0.574	48%	0.478	S	S	*	.	S	Bend	trans	-148.1	82.8	-178.1	-63.7	-179.5	-174.7	169.6	0	111.5	D542 N574	D542-K634 PolarHBondContact OD2-N 3.36Å; N574-K634 HydrophobicContact CB-CB 4.49Å
635	L	77.8	Confident	74.7	Confident	50 Å²	50	106 Å²	106	26%	0.262	51%	0.506	S	S	.	.			trans	-92.9	138.3	165.5	-74.4	168.6	0	0	0	110.9	Y569 E572 L575 V628 E629 A632 K637	Y569-L635 HydrophobicContact CD1-CD2 4.39Å; Y569-L635 HydrophobicContact CE1-CD2 4.44Å; E572-L635 HydrophobicContact CG-CD2 3.92Å; L575-L635 HydrophobicContact CD2-CD2 4.16Å; V628-L635 HydrophobicContact CG1-CD1 4.47Å; E629-L635 HydrophobicContact CB-CD1 4.22Å; E629-L635 HydrophobicContact CG-CD1 3.84Å; A632-L635 HydrophobicContact CB-CD1 3.52Å; A632-L635 HydrophobicContact CB-CD2 4.23Å; A632-L635 HydrophobicContact CB-CG 3.47Å; A632-L635 VanDerWaalsContact CB-CG 3.47Å; L635-K637 PolarHBondContact O-N 3.22Å
636	L	63.3	Low	73.5	Confident	116 Å²	116	112.6 Å²	112.6	61%	0.607	54%	0.538	S	S	*	.			trans	-67.8	113.8	165.7	-64.3	167.4	0	0	0	107.4	E572 R638	E572-L636 WeakPolarHBondContact OE2-CB 3.46Å; E572-L636 WeakPolarHBondContact OE2-CG 3.49Å; E572-L636 PolarHBondContact OE2-N 3.33Å; L636-R638 PolarHBondContact O-N 3.25Å; L636-R638 VanDerWaalsContact O-N 3.14Å
637	K	56.4	Low	72.2	Confident	194 Å²	194	110.3 Å²	110.3	84%	0.843	53%	0.531	S	S	*	.			trans	-62.4	117.8	170.3	-70.3	-173.6	177.7	-174.4	0	107.7	L635 D639	L635-K637 PolarHBondContact O-N 3.22Å; K637-D639 PolarHBondContact O-N 3.42Å
638	R	53.5	Low	70.5	Confident	178 Å²	178	116.9 Å²	116.9	67%	0.672	56%	0.563	S	S	*	*			trans	-78.4	110.8	162.3	-76.7	-175.5	176.1	172.1	2.5	106.3	S571 L636 E640	S571-R638 PolarHBondContact OG-NH2 2.74Å; L636-R638 PolarHBondContact O-N 3.25Å; L636-R638 VanDerWaalsContact O-N 3.14Å; R638-E640 PolarHBondContact O-N 3.41Å
639	D	39.3	Very low	68.7	Low	144 Å²	144	125.9 Å²	125.9	77%	0.77	61%	0.607	S	S	*	*			trans	-62.1	116.6	159.1	-68	-32.4	0	0	0	106.1	K637 L641	K637-D639 PolarHBondContact O-N 3.42Å; D639-L641 PolarHBondContact O-N 2.86Å
640	E	35.7	Very low	66.7	Low	198 Å²	198	128 Å²	128	93%	0.925	62%	0.618	S	S	*	*			trans	-61.5	114.5	170.4	-67.6	180	161.4	0	0	107.7	R638	R638-E640 PolarHBondContact O-N 3.41Å
641	L	30.6	Very low	64.3	Low	236 Å²	236	126.3 Å²	126.3	100%	1.236	61%	0.611	S	S	*	*			trans	-116.1	0	170	-91.9	170.2	0	0	0	109.5	D639	D639-L641 PolarHBondContact O-N 2.86Å

Retrieved 641 of 641 residues in 207 ms (Link to these results)

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