A0A087XZT4_POEFO Loading...

Glutamate decarboxylase 1

Catalyzes the synthesis of the inhibitory neurotransmitter gamma-aminobutyric acid (GABA) with pyridoxal 5'-phosphate as cofactor.

AlphaFold DB , UniProt , Accession A0A087XZT4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 595 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	34.6	Very low	30.3	Very low	242 Å²	242	115 Å²	115	100%	1.192	79%	0.787	S	S	*	*				0	93.7	0	-71.3	179.9	178.7	0	0	106.7
2	A	28.9	Very low	30	Very low	96 Å²	96	113.8 Å²	113.8	79%	0.793	78%	0.78	S	S	*	*				72.3	89.4	116.5	0	0	0	0	0	111.3
3	A	26.4	Very low	29.8	Very low	97 Å²	97	114.1 Å²	114.1	80%	0.802	78%	0.783	S	S	*	*				64.8	113.5	75.1	0	0	0	0	0	113.2
4	S	30.3	Very low	29.5	Very low	117 Å²	117	111.5 Å²	111.5	82%	0.818	79%	0.785	S	S	*	*				167.3	108.1	129	56.7	0	0	0	0	112.3
5	A	33.1	Very low	29.5	Very low	94 Å²	94	111.7 Å²	111.7	78%	0.777	80%	0.796	S	S	*	*				-90.2	160.8	128	0	0	0	0	0	106.2
6	P	41	Very low	29.4	Very low	110 Å²	110	109.5 Å²	109.5	71%	0.714	80%	0.795	S	S	*	*				-158.1	-179.5	76.7	38.7	-17	0	0	0	117.1
7	S	28.8	Very low	29.4	Very low	105 Å²	105	108.9 Å²	108.9	73%	0.734	80%	0.796	S	S	*	*			trans	74.3	145.3	144.5	69.5	0	0	0	0	118.5
8	S	28.6	Very low	29.5	Very low	98 Å²	98	110.8 Å²	110.8	69%	0.685	80%	0.795	S	S	*	*			cis	-176.2	156.9	-6.2	42.8	0	0	0	0	110.6
9	S	27.5	Very low	29.5	Very low	98 Å²	98	110.7 Å²	110.7	69%	0.685	79%	0.79	S	S	*	*			trans	69.9	132.4	137.7	63.3	0	0	0	0	124
10	S	27.3	Very low	29.4	Very low	108 Å²	108	112.4 Å²	112.4	76%	0.755	79%	0.789	S	S	*	*			trans	68.8	143.7	137.5	60.7	0	0	0	0	119.3
11	S	26.4	Very low	29.3	Very low	100 Å²	100	112.5 Å²	112.5	70%	0.699	79%	0.79	S	S	*	*			cis	-177.1	168.9	-3.2	44	0	0	0	0	107.8
12	S	26.6	Very low	29	Very low	100 Å²	100	107.2 Å²	107.2	70%	0.699	77%	0.771	S	S	*	*			trans	75.7	111.9	147.4	68.2	0	0	0	0	121.5
13	S	27.4	Very low	29.1	Very low	118 Å²	118	110.5 Å²	110.5	83%	0.825	78%	0.776	S	S	*	*				57.8	118.6	124.8	66.4	0	0	0	0	120.8
14	G	26.6	Very low	29.2	Very low	78 Å²	78	114 Å²	114	80%	0.804	78%	0.78	S	S	*	*			trans	-161.2	87.9	158.4	0	0	0	0	0	110.7
15	A	29.7	Very low	29.2	Very low	115 Å²	115	120.3 Å²	120.3	95%	0.95	79%	0.786	S	S	*	*			trans	-68.5	123.3	160	0	0	0	0	0	107.8
16	G	27.1	Very low	29.2	Very low	76 Å²	76	121.1 Å²	121.1	78%	0.784	78%	0.783	S	S	*	*			trans	-140.7	113.5	176.1	0	0	0	0	0	108.6
17	A	29.2	Very low	28.7	Very low	99 Å²	99	121.7 Å²	121.7	82%	0.818	79%	0.786	S	S	*	*			trans	-68.3	150.4	-177.4	0	0	0	0	0	112.8
18	D	31.5	Very low	29.4	Very low	144 Å²	144	120.9 Å²	120.9	77%	0.77	80%	0.795	S	S	*	*			trans	-54	138.3	168.2	-169.5	-3.5	0	0	0	112.6	N20	D18-N20 PolarHBondContact OD1-N 3.36Å
19	P	28.9	Very low	29.6	Very low	108 Å²	108	120.3 Å²	120.3	70%	0.701	79%	0.791	S	S	*	*			trans	-143.3	103.2	134	34	-15.7	0	0	0	112
20	N	27.8	Very low	30	Very low	145 Å²	145	119.9 Å²	119.9	78%	0.775	79%	0.788	S	S	*	*				-160.3	91.5	128.8	-101.1	-22.9	0	0	0	112.4	D18 T22	D18-N20 PolarHBondContact OD1-N 3.36Å; N20-T22 PolarHBondContact O-N 2.98Å
21	S	27.9	Very low	30.2	Very low	115 Å²	115	123.6 Å²	123.6	80%	0.804	79%	0.787	S	S	*	*			trans	-70.7	110.1	157.9	58.1	0	0	0	0	110.3
22	T	28	Very low	30.5	Very low	130 Å²	130	126 Å²	126	80%	0.798	79%	0.791	S	S	*	*			trans	-141.1	117	151.7	35.8	0	0	0	0	110.2	N20 L24	N20-T22 PolarHBondContact O-N 2.98Å; T22-L24 PolarHBondContact O-N 3.34Å
23	N	31.9	Very low	31	Very low	166 Å²	166	124.1 Å²	124.1	89%	0.888	78%	0.783	S	S	*	*			trans	-52.6	122.2	174.8	-74.7	-51.7	0	0	0	113.2
24	L	27.4	Very low	31.3	Very low	169 Å²	169	128.4 Å²	128.4	89%	0.885	78%	0.781	S	S	*	*			trans	-144.3	108.6	148.3	-79.4	174.6	0	0	0	108.9	T22	T22-L24 PolarHBondContact O-N 3.34Å
25	R	30.4	Very low	31.5	Very low	251 Å²	251	128.7 Å²	128.7	95%	0.947	77%	0.769	S	S	*	*	P	Polyproline II helix	trans	-72	133.4	166.1	-80.2	-179.2	176	-177.8	-1.5	109.4
26	P	32.3	Very low	31.6	Very low	111 Å²	111	125.7 Å²	125.7	72%	0.721	75%	0.75	S	S	*	*	P	Polyproline II helix	trans	-93.9	151.8	153.6	11.1	8.1	0	0	0	110.6
27	P	31.5	Very low	32.1	Very low	121 Å²	121	126.5 Å²	126.5	79%	0.786	74%	0.739	S	S	*	*	P	Polyproline II helix	trans	-74	149.3	-178.6	30.6	-30.3	0	0	0	111.2	S29	P27-S29 PolarHBondContact O-N 3.21Å
28	G	43.9	Very low	32.3	Very low	88 Å²	88	124.2 Å²	124.2	91%	0.907	72%	0.72	S	S	*	*	P	Polyproline II helix	trans	-52	129.2	-172.6	0	0	0	0	0	114.3
29	S	31.8	Very low	32.3	Very low	87 Å²	87	124.5 Å²	124.5	61%	0.608	72%	0.717	S	S	*	*			trans	-115.6	124	170.6	59.7	0	0	0	0	109.2	P27 Y31	P27-S29 PolarHBondContact O-N 3.21Å; S29-Y31 PolarHBondContact O-N 3.18Å
30	S	37.3	Very low	32.5	Very low	89 Å²	89	120.7 Å²	120.7	62%	0.622	70%	0.697	S	S	*	*	T	Hydrogen-bonded Turn	trans	22.2	-14.8	149.2	58.7	0	0	0	0	123.9
31	Y	31.6	Very low	33	Very low	186 Å²	186	117.6 Å²	117.6	73%	0.729	69%	0.686	S	S	*	*	H	α-helix	trans	-78.1	-36.8	-174.8	-125	-95	0	0	0	113.3	S29 A33 W34	S29-Y31 PolarHBondContact O-N 3.18Å; Y31-A33 VanDerWaalsContact C-N 3.29Å; Y31-A33 PolarHBondContact O-N 3.08Å; Y31-W34 PolarHBondContact O-N 3.21Å
32	D	32.7	Very low	33.6	Very low	149 Å²	149	116.8 Å²	116.8	80%	0.797	68%	0.676	S	S	*	*	H	α-helix	trans	-73.6	-21.6	179.4	-73.1	-31.3	0	0	0	113.1	G36	D32-G36 PolarHBondContact O-N 3.14Å
33	A	36.8	Very low	33.9	Very low	62 Å²	62	120.1 Å²	120.1	51%	0.512	67%	0.674	S	S	.	*	H	α-helix	trans	-71.4	-33.1	173.9	0	0	0	0	0	112.1	Y31 V37	Y31-A33 VanDerWaalsContact C-N 3.29Å; Y31-A33 PolarHBondContact O-N 3.08Å; A33-V37 WeakPolarHBondContact O-CB 3.29Å; A33-V37 VanDerWaalsContact O-CG2 3.29Å; A33-V37 WeakPolarHBondContact O-CG2 3.45Å; A33-V37 PolarHBondContact O-N 3.09Å
34	W	32.1	Very low	34.3	Very low	207 Å²	207	119.5 Å²	119.5	78%	0.784	66%	0.664	S	S	*	*	H	α-helix	trans	-71	-42.7	-179.9	-88.5	74.9	0	0	0	112.6	Y31 A38	Y31-W34 PolarHBondContact O-N 3.21Å; W34-A38 WeakPolarHBondContact O-CB 3.41Å; W34-A38 PolarHBondContact O-N 2.9Å
35	C	31.5	Very low	34.9	Very low	84 Å²	84	117.2 Å²	117.2	57%	0.568	65%	0.652	S	S	*	*	H	α-helix	trans	-70.4	-38.6	-179.8	-79.4	0	0	0	0	113.1	H39	C35-H39 PolarHBondContact O-N 2.91Å
36	G	31.4	Very low	35.2	Very low	52 Å²	52	106.7 Å²	106.7	54%	0.536	62%	0.621	S	S	.	*	H	α-helix	trans	-68.9	-35.7	179.3	0	0	0	0	0	113.7	D32 G40	D32-G36 PolarHBondContact O-N 3.14Å; G36-G40 PolarHBondContact O-N 3.49Å
37	V	38.6	Very low	35.4	Very low	94 Å²	94	108 Å²	108	57%	0.57	62%	0.62	S	S	*	*	H	α-helix	trans	-84.9	-36.2	-178.3	178.4	0	0	0	0	111.8	A33 H39 G40 C41	A33-V37 WeakPolarHBondContact O-CB 3.29Å; A33-V37 VanDerWaalsContact O-CG2 3.29Å; A33-V37 WeakPolarHBondContact O-CG2 3.45Å; A33-V37 PolarHBondContact O-N 3.09Å; V37-H39 VanDerWaalsContact C-N 3.31Å; V37-H39 PolarHBondContact O-N 3.02Å; V37-G40 WeakPolarHBondContact O-CA 3.42Å; V37-G40 PolarHBondContact O-N 3.31Å; V37-C41 PolarHBondContact O-N 3.46Å
38	A	33.7	Very low	35.8	Very low	51 Å²	51	110.5 Å²	110.5	42%	0.421	62%	0.618	S	S	.	*	H	α-helix	trans	-61.5	-37.6	174.4	0	0	0	0	0	112.5	W34 T42	W34-A38 WeakPolarHBondContact O-CB 3.41Å; W34-A38 PolarHBondContact O-N 2.9Å; A38-T42 PolarHBondContact O-N 3.31Å; A38-T42 PolarHBondContact O-OG1 2.97Å
39	H	31.1	Very low	35.6	Very low	149 Å²	149	110.5 Å²	110.5	69%	0.69	60%	0.596	S	S	*	*	H	α-helix	trans	-68.2	-32.6	171.9	-95.5	70.6	0	0	0	112.9	C35 V37 T42 R43	C35-H39 PolarHBondContact O-N 2.91Å; V37-H39 VanDerWaalsContact C-N 3.31Å; V37-H39 PolarHBondContact O-N 3.02Å; H39-T42 PolarHBondContact O-OG1 3.42Å; H39-R43 WeakPolarHBondContact O-CB 3.39Å; H39-R43 PolarHBondContact O-N 3.49Å
40	G	32.6	Very low	35.8	Very low	28 Å²	28	109.8 Å²	109.8	29%	0.289	59%	0.591	S	S	.	*	H	α-helix	trans	-73.1	-40.4	176.2	0	0	0	0	0	113.7	G36 V37 K44	G36-G40 PolarHBondContact O-N 3.49Å; V37-G40 WeakPolarHBondContact O-CA 3.42Å; V37-G40 PolarHBondContact O-N 3.31Å; G40-K44 WeakPolarHBondContact O-CB 3.35Å; G40-K44 WeakPolarHBondContact O-CG 3.5Å; G40-K44 PolarHBondContact O-N 2.94Å; G40-K44 VanDerWaalsContact O-N 3.11Å
41	C	39.2	Very low	35.7	Very low	80 Å²	80	107.4 Å²	107.4	54%	0.541	58%	0.58	S	S	.	*	H	α-helix	trans	-73	-41.7	-178.9	-84.9	0	0	0	0	112.9	V37 R43 K44 L45	V37-C41 PolarHBondContact O-N 3.46Å; C41-R43 VanDerWaalsContact C-N 3.34Å; C41-R43 PolarHBondContact O-N 2.98Å; C41-K44 PolarHBondContact O-N 2.67Å; C41-L45 WeakPolarHBondContact O-CB 3.45Å; C41-L45 PolarHBondContact O-N 3.32Å
42	T	39.1	Very low	36.1	Very low	99 Å²	99	105.3 Å²	105.3	61%	0.607	58%	0.575	S	S	*	*	H	α-helix	trans	-63.1	-39.3	174.5	44.5	0	0	0	0	112	A38 H39 G46	A38-T42 PolarHBondContact O-N 3.31Å; A38-T42 PolarHBondContact O-OG1 2.97Å; H39-T42 PolarHBondContact O-OG1 3.42Å; T42-G46 WeakPolarHBondContact O-CA 3.49Å; T42-G46 PolarHBondContact O-N 3.42Å
43	R	34.8	Very low	36.3	Very low	199 Å²	199	103.5 Å²	103.5	75%	0.751	57%	0.565	S	S	*	*	H	α-helix	trans	-65.1	-42.9	174.7	-128.6	178.4	-160.8	-163.1	5.5	112.3	H39 C41 M47	H39-R43 WeakPolarHBondContact O-CB 3.39Å; H39-R43 PolarHBondContact O-N 3.49Å; C41-R43 VanDerWaalsContact C-N 3.34Å; C41-R43 PolarHBondContact O-N 2.98Å; R43-M47 WeakPolarHBondContact O-CB 3.42Å; R43-M47 WeakPolarHBondContact O-CG 3.48Å; R43-M47 PolarHBondContact O-N 3.1Å
44	K	40.5	Very low	36.1	Very low	153 Å²	153	108.2 Å²	108.2	67%	0.665	58%	0.576	S	S	*	*	H	α-helix	trans	-80.2	-36.5	-173.9	-73.5	178.3	-179.6	-179.9	0	113.7	G40 C41 M47 K48	G40-K44 WeakPolarHBondContact O-CB 3.35Å; G40-K44 WeakPolarHBondContact O-CG 3.5Å; G40-K44 PolarHBondContact O-N 2.94Å; G40-K44 VanDerWaalsContact O-N 3.11Å; C41-K44 PolarHBondContact O-N 2.67Å; K44-M47 PolarHBondContact O-N 3.27Å; K44-K48 PolarHBondContact O-N 2.64Å; K44-K48 VanDerWaalsContact O-N 3.13Å
45	L	40.1	Very low	36.3	Very low	121 Å²	121	107.2 Å²	107.2	63%	0.634	58%	0.577	S	S	*	*	H	α-helix	trans	-68	-40.6	170	-164.6	70.2	0	0	0	110.2	C41 M47 K48 I49	C41-L45 WeakPolarHBondContact O-CB 3.45Å; C41-L45 PolarHBondContact O-N 3.32Å; L45-M47 PolarHBondContact O-N 2.77Å; L45-K48 PolarHBondContact O-N 3.29Å; L45-I49 HydrophobicContact CG-CD1 4.28Å; L45-I49 WeakPolarHBondContact O-CG1 3.32Å; L45-I49 PolarHBondContact O-N 3.12Å; L45-I49 VanDerWaalsContact O-N 3.08Å
46	G	36.2	Very low	36.6	Very low	30 Å²	30	109.8 Å²	109.8	31%	0.309	59%	0.585	S	S	.	*	H	α-helix	trans	-59.8	-41.1	171.6	0	0	0	0	0	113.5	T42 I49 C50	T42-G46 WeakPolarHBondContact O-CA 3.49Å; T42-G46 PolarHBondContact O-N 3.42Å; G46-I49 PolarHBondContact O-N 3.29Å; G46-C50 VanDerWaalsContact O-CB 3.3Å; G46-C50 WeakPolarHBondContact O-CB 3.44Å; G46-C50 PolarHBondContact O-N 3.03Å
47	M	36.2	Very low	36.7	Very low	139 Å²	139	114.3 Å²	114.3	69%	0.685	60%	0.597	S	S	*	*	H	α-helix	trans	-70.1	-34.3	177.4	-72.1	-130.4	-58.9	0	0	113.4	R43 K44 L45 G51	R43-M47 WeakPolarHBondContact O-CB 3.42Å; R43-M47 WeakPolarHBondContact O-CG 3.48Å; R43-M47 PolarHBondContact O-N 3.1Å; K44-M47 PolarHBondContact O-N 3.27Å; L45-M47 PolarHBondContact O-N 2.77Å; M47-G51 PolarHBondContact O-N 3.32Å
48	K	40.1	Very low	36.1	Very low	174 Å²	174	115.3 Å²	115.3	76%	0.757	61%	0.608	S	S	*	*	H	α-helix	trans	-69	-35.6	173.4	-79.6	-175.1	176.9	-179.8	0	111.9	K44 L45 F52	K44-K48 PolarHBondContact O-N 2.64Å; K44-K48 VanDerWaalsContact O-N 3.13Å; L45-K48 PolarHBondContact O-N 3.29Å; K48-F52 WeakPolarHBondContact O-CB 3.41Å; K48-F52 PolarHBondContact O-N 3.05Å
49	I	40.3	Very low	36.1	Very low	88 Å²	88	121.4 Å²	121.4	45%	0.451	63%	0.633	S	S	.	*	H	α-helix	trans	-73.6	-42.7	175.2	-65.2	168.9	0	0	0	111.1	L45 G46 F52 L53	L45-I49 HydrophobicContact CG-CD1 4.28Å; L45-I49 WeakPolarHBondContact O-CG1 3.32Å; L45-I49 PolarHBondContact O-N 3.12Å; L45-I49 VanDerWaalsContact O-N 3.08Å; G46-I49 PolarHBondContact O-N 3.29Å; I49-F52 WeakPolarHBondContact O-CB 3.41Å; I49-F52 PolarHBondContact O-N 2.86Å; I49-L53 HydrophobicContact CG2-CD1 4.17Å; I49-L53 WeakPolarHBondContact O-CG 3.35Å; I49-L53 PolarHBondContact O-N 2.91Å
50	C	35.7	Very low	36.2	Very low	72 Å²	72	123 Å²	123	49%	0.486	64%	0.641	S	S	.	*	H	α-helix	trans	-66.3	-39.3	175.5	-82.6	0	0	0	0	113	G46 F52 L53 Q54	G46-C50 VanDerWaalsContact O-CB 3.3Å; G46-C50 WeakPolarHBondContact O-CB 3.44Å; G46-C50 PolarHBondContact O-N 3.03Å; C50-F52 PolarHBondContact O-N 3.47Å; C50-L53 PolarHBondContact O-N 2.64Å; C50-Q54 PolarHBondContact O-N 3.23Å
51	G	35.8	Very low	36	Very low	38 Å²	38	131.1 Å²	131.1	39%	0.392	67%	0.671	S	S	.	*	H	α-helix	trans	-64.9	-24.9	173.9	0	0	0	0	0	113.2	M47	M47-G51 PolarHBondContact O-N 3.32Å
52	F	40.2	Very low	35.8	Very low	142 Å²	142	139.5 Å²	139.5	62%	0.623	69%	0.691	S	S	*	*	H	α-helix	trans	-79.3	-34.1	172.9	-164.3	-100.1	0	0	0	112.3	K48 I49 C50	K48-F52 WeakPolarHBondContact O-CB 3.41Å; K48-F52 PolarHBondContact O-N 3.05Å; I49-F52 WeakPolarHBondContact O-CB 3.41Å; I49-F52 PolarHBondContact O-N 2.86Å; C50-F52 PolarHBondContact O-N 3.47Å
53	L	35.9	Very low	35.4	Very low	112 Å²	112	139.7 Å²	139.7	59%	0.586	70%	0.696	S	S	*	*	H	α-helix	trans	-77.1	-30.5	177.5	-69.4	168.2	0	0	0	113.4	I49 C50	I49-L53 HydrophobicContact CG2-CD1 4.17Å; I49-L53 WeakPolarHBondContact O-CG 3.35Å; I49-L53 PolarHBondContact O-N 2.91Å; C50-L53 PolarHBondContact O-N 2.64Å
54	Q	34.1	Very low	35.2	Very low	160 Å²	160	141.5 Å²	141.5	75%	0.748	70%	0.703	S	S	*	*	H	α-helix	trans	-74.6	-20.8	178.4	-86	-179.2	-24.3	0	0	114.3	C50 N56	C50-Q54 PolarHBondContact O-N 3.23Å; Q54-N56 PolarHBondContact O-N 3.06Å
55	K	36.3	Very low	34.7	Very low	186 Å²	186	140.4 Å²	140.4	81%	0.809	70%	0.703	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.9	-4.3	-179.5	-92.9	-175.4	175.8	-179	0	115.2
56	N	36.8	Very low	34.3	Very low	138 Å²	138	141.3 Å²	141.3	74%	0.738	71%	0.713	S	S	*	*	T	Hydrogen-bonded Turn	trans	-114.8	8	-178.4	-82.8	-10.9	0	0	0	115.3	Q54	Q54-N56 PolarHBondContact O-N 3.06Å
57	N	32.8	Very low	33.9	Very low	148 Å²	148	145.5 Å²	145.5	79%	0.791	74%	0.738	S	S	*	*			trans	-131.7	93.9	175.8	-89.1	-13.3	0	0	0	111.4
58	S	27.6	Very low	33.6	Very low	114 Å²	114	143.5 Å²	143.5	80%	0.797	74%	0.738	S	S	*	*			trans	-171.3	98	151.7	171.4	0	0	0	0	108.1
59	L	33.6	Very low	33.1	Very low	179 Å²	179	140.8 Å²	140.8	94%	0.937	73%	0.731	S	S	*	*			trans	-115.2	82.3	167.7	-103.4	163.8	0	0	0	106
60	E	32.9	Very low	32.6	Very low	183 Å²	183	146.4 Å²	146.4	86%	0.855	75%	0.752	S	S	*	*			trans	-164.7	142.4	156.9	-111.2	166	-170.2	0	0	108.6
61	E	27.8	Very low	32.4	Very low	199 Å²	199	152 Å²	152	93%	0.93	77%	0.771	S	S	*	*			trans	78.8	64.8	-174.8	-73.9	-172.4	137.7	0	0	118.7
62	R	34.1	Very low	32	Very low	256 Å²	256	161.7 Å²	161.7	97%	0.966	80%	0.796	S	S	*	*			trans	-107.4	79.9	148.3	-86.7	-171.8	175.9	-177.4	0.1	111.2
63	S	31	Very low	31.6	Very low	102 Å²	102	161 Å²	161	71%	0.713	80%	0.803	S	S	*	*	S	Bend	trans	-161.3	82.7	150.2	68.9	0	0	0	0	110.5
64	R	30.5	Very low	31.3	Very low	238 Å²	238	159.9 Å²	159.9	90%	0.898	81%	0.811	S	S	*	*	S	Bend	trans	177.2	0.4	154.8	-100.3	159.5	-168.5	-164.9	3.8	115.5
65	I	31.8	Very low	31.2	Very low	129 Å²	129	161 Å²	161	66%	0.662	82%	0.816	S	S	*	*			trans	-119.6	53.4	179	-44.3	177.1	0	0	0	110.4
66	V	30.5	Very low	30.7	Very low	140 Å²	140	159.6 Å²	159.6	85%	0.848	82%	0.817	S	S	*	*	S	Bend	trans	-118.2	-0.7	173.5	178.6	0	0	0	0	112.1
67	S	28.3	Very low	30.4	Very low	118 Å²	118	161.4 Å²	161.4	83%	0.825	83%	0.826	S	S	*	*	S	Bend	trans	-104.1	-6.6	177.7	55.2	0	0	0	0	115.7
68	S	30.1	Very low	30.5	Very low	97 Å²	97	162.9 Å²	162.9	68%	0.678	83%	0.83	S	S	*	*	S	Bend	trans	-111	9.1	-177.5	87.5	0	0	0	0	115.7
69	L	29.2	Very low	30.7	Very low	118 Å²	118	161.7 Å²	161.7	62%	0.618	83%	0.828	S	S	*	*	S	Bend	trans	-110.3	16.3	-172.5	-98.4	158.5	0	0	0	114.5
70	K	29.6	Very low	30.4	Very low	205 Å²	205	159.7 Å²	159.7	89%	0.891	83%	0.827	S	S	*	*	S	Bend	trans	-100.4	3.5	-180	-97.6	-173.6	175.5	-176.2	0	116.6
71	E	30.8	Very low	30.2	Very low	191 Å²	191	158.4 Å²	158.4	89%	0.893	83%	0.826	S	S	*	*	S	Bend	trans	-129.5	13.6	-178.3	-87.4	-177.5	166.8	0	0	116.1
72	R	28.7	Very low	30.6	Very low	241 Å²	241	157.1 Å²	157.1	91%	0.909	83%	0.825	S	S	*	*	S	Bend	trans	-131.9	33.2	178.1	-75.4	-171	179.9	-170.1	0.4	115
73	T	31	Very low	30.8	Very low	126 Å²	126	149.9 Å²	149.9	77%	0.773	82%	0.82	S	S	*	*			trans	-121.9	49.1	178.8	-27.4	0	0	0	0	111.8
74	A	30.7	Very low	31	Very low	90 Å²	90	149.3 Å²	149.3	74%	0.744	83%	0.83	S	S	*	*	S	Bend	trans	-157.8	61.9	170.1	0	0	0	0	0	110.9
75	Q	30.7	Very low	31	Very low	182 Å²	182	141.3 Å²	141.3	85%	0.85	82%	0.822	S	S	*	*	S	Bend	trans	172	140.9	155	-97.6	158.8	4.7	0	0	108.2
76	N	27.1	Very low	31.1	Very low	158 Å²	158	139.9 Å²	139.9	85%	0.845	82%	0.816	S	S	*	*			trans	93	45.8	178.8	-52.1	-13.5	0	0	0	117.2
77	L	30.4	Very low	31.4	Very low	175 Å²	175	139.1 Å²	139.1	92%	0.916	81%	0.814	S	S	*	*			trans	-89.4	103.2	137.9	-92.8	152.6	0	0	0	106.4
78	M	34.1	Very low	32	Very low	179 Å²	179	142.7 Å²	142.7	88%	0.882	81%	0.809	S	S	*	*	S	Bend	trans	151.6	133.6	158.5	-78.5	-90.5	171.7	0	0	108.9
79	A	32.9	Very low	32.5	Very low	90 Å²	90	145.7 Å²	145.7	74%	0.744	81%	0.81	S	S	*	*			trans	73.6	104.6	176.6	0	0	0	0	0	117.6
80	C	25.9	Very low	33.1	Very low	136 Å²	136	150.5 Å²	150.5	92%	0.919	82%	0.82	S	S	*	*			trans	-129.4	98.4	146.7	-91.1	0	0	0	0	107.6
81	D	28.8	Very low	33.9	Very low	157 Å²	157	150.3 Å²	150.3	84%	0.84	81%	0.814	S	S	*	*			trans	-63.2	134.6	167.9	-84.6	-41.2	0	0	0	110.8	A83	D81-A83 PolarHBondContact O-N 3.02Å
82	N	37.3	Very low	35	Very low	172 Å²	172	146 Å²	146	92%	0.92	80%	0.8	S	S	*	*			trans	-71.6	109.1	165.4	-93.6	-30.7	0	0	0	109.7
83	A	37.1	Very low	36.9	Very low	103 Å²	103	144 Å²	144	85%	0.851	80%	0.802	S	S	*	*			trans	-143.6	100.4	161.8	0	0	0	0	0	110.2	D81	D81-A83 PolarHBondContact O-N 3.02Å
84	G	35.7	Very low	39.4	Very low	90 Å²	90	140.2 Å²	140.2	93%	0.928	78%	0.778	S	S	*	*			trans	158.1	23	172.9	0	0	0	0	0	117.9
85	G	30.8	Very low	42.4	Very low	70 Å²	70	140.9 Å²	140.9	72%	0.722	77%	0.769	S	S	*	*	S	Bend	trans	-124.4	142.2	178.5	0	0	0	0	0	113
86	D	33.6	Very low	45.6	Very low	100 Å²	100	132.4 Å²	132.4	54%	0.535	73%	0.73	S	S	.	*			trans	-32	128.2	173.4	-173.7	-20.5	0	0	0	112.8	R88	D86-R88 PolarHBondContact O-N 3.2Å; D86-R88 PolarHBondContact OD1-N 3.23Å; D86-R88 IonicContact OD1-NE 3.51Å; D86-R88 PolarHBondContact OD1-NE 3.09Å; D86-R88 IonicContact OD1-NH2 2.63Å; D86-R88 IonicContact OD2-CZ 3.9Å; D86-R88 IonicContact OD2-NE 3.26Å; D86-R88 IonicContact OD2-NH2 3.21Å; D86-R88 PolarHBondContact OD2-NH2 3.19Å
87	P	36	Very low	48.9	Very low	124 Å²	124	127.2 Å²	127.2	81%	0.805	71%	0.705	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.9	1.5	-170.8	25.7	-34.4	0	0	0	115.6
88	R	42.1	Very low	52.1	Low	193 Å²	193	124.6 Å²	124.6	73%	0.728	69%	0.692	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.5	-5.2	-175.7	-78.5	179.1	-71	-177.3	-0.7	116.6	D86	D86-R88 PolarHBondContact O-N 3.2Å; D86-R88 PolarHBondContact OD1-N 3.23Å; D86-R88 IonicContact OD1-NE 3.51Å; D86-R88 PolarHBondContact OD1-NE 3.09Å; D86-R88 IonicContact OD1-NH2 2.63Å; D86-R88 IonicContact OD2-CZ 3.9Å; D86-R88 IonicContact OD2-NE 3.26Å; D86-R88 IonicContact OD2-NH2 3.21Å; D86-R88 PolarHBondContact OD2-NH2 3.19Å
89	F	40.8	Very low	55.1	Low	159 Å²	159	118.2 Å²	118.2	70%	0.697	66%	0.662	S	S	*	*			trans	-140.8	67.6	176.4	-83.1	-86.1	0	0	0	111.4
90	R	40	Very low	58.2	Low	219 Å²	219	117 Å²	117	83%	0.826	64%	0.639	S	S	*	*			trans	-72.7	127.7	151	-89.1	-177.5	174.9	178	-2	106.8	T92	R90-T92 PolarHBondContact O-N 3.12Å
91	R	47.6	Very low	61.7	Low	201 Å²	201	113.9 Å²	113.9	76%	0.758	62%	0.622	S	S	*	*			trans	-62.9	85.7	161.2	-93.3	-177	164.6	-167	-12.2	107	E123	R91-E123 IonicContact CZ-OE2 3.77Å; R91-E123 IonicContact NH1-OE2 3.33Å; R91-E123 IonicContact NH2-OE2 3.84Å; R91-E123 PolarHBondContact NH2-OE2 3.46Å
92	T	54.8	Low	65	Low	100 Å²	100	114.5 Å²	114.5	61%	0.613	61%	0.613	S	S	*	*			trans	-71.6	120.6	155.7	35	0	0	0	0	105.9	R90 T94	R90-T92 PolarHBondContact O-N 3.12Å; T92-T94 PolarHBondContact O-N 2.84Å; T92-T94 PolarHBondContact O-OG1 3.4Å
93	E	67.8	Low	67.9	Low	201 Å²	201	108.9 Å²	108.9	94%	0.939	58%	0.582	S	S	*	*			trans	-51.6	111.6	167.8	-76.8	176.9	167.9	0	0	107.1
94	T	84.1	Confident	70.8	Confident	45 Å²	45	105 Å²	105	28%	0.276	55%	0.547	S	S	.	.			trans	-84.5	120.7	179.2	-59	0	0	0	0	106.7	T92 F96 L99 Q116	T92-T94 PolarHBondContact O-N 2.84Å; T92-T94 PolarHBondContact O-OG1 3.4Å; T94-F96 HydrophobicContact CG2-CE1 4Å; T94-F96 HydrophobicContact CG2-CE2 4.12Å; T94-F96 HydrophobicContact CG2-CZ 3.78Å; T94-F96 VanDerWaalsContact O-CD2 3.27Å; T94-F96 WeakPolarHBondContact O-CD2 3.3Å; T94-F96 WeakPolarHBondContact O-CE2 3.35Å; T94-F96 PolarHBondContact O-N 3.17Å; T94-L99 HydrophobicContact CG2-CD1 4.4Å; T94-Q116 HydrophobicContact CG2-CB 4.35Å
95	D	92.9	Very high	73.8	Confident	105 Å²	105	105.5 Å²	105.5	56%	0.561	53%	0.528	S	S	*	.			trans	-80.8	114.5	176.6	178.3	10.8	0	0	0	109.9	S97	D95-S97 WeakPolarHBondContact OD1-CB 3.35Å; D95-S97 PolarHBondContact OD1-N 3.18Å; D95-S97 PolarHBondContact OD1-OG 2.97Å; D95-S97 PolarHBondContact OD2-OG 3.08Å; D95-S97 VanDerWaalsContact OD2-OG 3.04Å
96	F	97.2	Very high	77	Confident	4 Å²	4	108.6 Å²	108.6	2%	0.018	54%	0.536	C	S	.	.			trans	-93.3	1.7	179.9	-66.8	-76.6	0	0	0	113.6	T94 N98 L99 Q116 F117 E120 L166 E167 L170	T94-F96 HydrophobicContact CG2-CE1 4Å; T94-F96 HydrophobicContact CG2-CE2 4.12Å; T94-F96 HydrophobicContact CG2-CZ 3.78Å; T94-F96 VanDerWaalsContact O-CD2 3.27Å; T94-F96 WeakPolarHBondContact O-CD2 3.3Å; T94-F96 WeakPolarHBondContact O-CE2 3.35Å; T94-F96 PolarHBondContact O-N 3.17Å; F96-N98 VanDerWaalsContact C-N 3.27Å; F96-N98 PolarHBondContact O-N 3.35Å; F96-L99 HydrophobicContact CD1-CD1 3.88Å; F96-L99 HydrophobicContact CE1-CD1 4.27Å; F96-L99 PolarHBondContact O-N 2.94Å; F96-Q116 HydrophobicContact CE1-CB 4.46Å; F96-Q116 HydrophobicContact CZ-CB 3.82Å; F96-F117 HydrophobicContact CE1-CB 3.79Å; F96-F117 HydrophobicContact CE1-CD2 4.45Å; F96-F117 HydrophobicContact CZ-CB 4.27Å; F96-E120 HydrophobicContact CE2-CG 3.71Å; F96-E120 HydrophobicContact CZ-CG 4.26Å; F96-L166 HydrophobicContact CB-CB 3.95Å; F96-L166 HydrophobicContact CD1-CB 3.92Å; F96-L166 HydrophobicContact CD1-CD1 4.07Å; F96-L166 HydrophobicContact CG-CB 4.29Å; F96-E167 HydrophobicContact CB-CB 3.96Å; F96-E167 PolarHBondContact O-N 3.44Å; F96-L170 HydrophobicContact CD2-CD1 3.84Å; F96-L170 HydrophobicContact CE2-CD1 4.31Å; F96-L170 HydrophobicContact CG-CD1 4.24Å
97	S	97.1	Very high	80	Confident	48 Å²	48	106.1 Å²	106.1	34%	0.336	53%	0.526	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-29.5	-175.1	63.6	0	0	0	0	113.9	D95 S165	D95-S97 WeakPolarHBondContact OD1-CB 3.35Å; D95-S97 PolarHBondContact OD1-N 3.18Å; D95-S97 PolarHBondContact OD1-OG 2.97Å; D95-S97 PolarHBondContact OD2-OG 3.08Å; D95-S97 VanDerWaalsContact OD2-OG 3.04Å; S97-S165 WeakPolarHBondContact O-CB 3.2Å
98	N	97	Very high	82.7	Confident	120 Å²	120	109.2 Å²	109.2	64%	0.642	53%	0.527	S	S	*	.	T	Hydrogen-bonded Turn	trans	-115.3	12.8	179.9	-66.3	-62.9	0	0	0	113.5	F96	F96-N98 VanDerWaalsContact C-N 3.27Å; F96-N98 PolarHBondContact O-N 3.35Å
99	L	97.8	Very high	85.2	Confident	46 Å²	46	107.3 Å²	107.3	24%	0.241	53%	0.531	C	S	.	.			trans	-102.6	144.1	174.1	-68	176.4	0	0	0	109.9	T94 F96 D103 A113 S165 L166	T94-L99 HydrophobicContact CG2-CD1 4.4Å; F96-L99 HydrophobicContact CD1-CD1 3.88Å; F96-L99 HydrophobicContact CE1-CD1 4.27Å; F96-L99 PolarHBondContact O-N 2.94Å; L99-D103 HydrophobicContact CD2-CB 4.48Å; L99-A113 HydrophobicContact CD1-CB 4.37Å; L99-S165 CarbonylContact O-C 3.54Å; L99-S165 WeakPolarHBondContact O-CA 3.28Å; L99-L166 HydrophobicContact CB-CB 4.47Å; L99-L166 HydrophobicContact CB-CD1 3.85Å; L99-L166 HydrophobicContact CB-CG 4.29Å; L99-L166 PolarHBondContact O-N 3.29Å
100	Y	98.5	Very high	87.9	Confident	65 Å²	65	99.9 Å²	99.9	26%	0.255	50%	0.499	S	S	.	.			trans	-127.1	164.6	-178.9	-60.1	-91	0	0	0	110.9	R102 D103 P163 E164	Y100-R102 PolarHBondContact O-N 3.47Å; Y100-R102 VanDerWaalsContact O-N 3.12Å; Y100-D103 WeakPolarHBondContact CB-OD2 3.46Å; Y100-D103 PolarHBondContact N-OD2 3.02Å; Y100-D103 WeakPolarHBondContact O-CB 3.26Å; Y100-D103 PolarHBondContact O-N 2.82Å; Y100-P163 HydrophobicContact CD1-CB 4.16Å; Y100-P163 HydrophobicContact CD1-CG 4.01Å; Y100-P163 HydrophobicContact CE1-CG 4.43Å; Y100-E164 WeakPolarHBondContact CD1-O 3.45Å
101	A	98.4	Very high	90.6	Very high	69 Å²	69	95.6 Å²	95.6	57%	0.57	49%	0.489	S	S	*	.	G	3₁₀ helix	trans	-55.1	-33.4	178.5	0	0	0	0	0	113.4	D103 L104	A101-D103 PolarHBondContact O-N 3.24Å; A101-L104 WeakPolarHBondContact O-CB 3.39Å; A101-L104 PolarHBondContact O-N 3.03Å
102	R	98.1	Very high	92.9	Very high	171 Å²	171	90.9 Å²	90.9	65%	0.645	48%	0.476	S	S	*	.	G	3₁₀ helix	trans	-65.9	-17	176.4	66.2	179.6	174.9	-145.7	-6.4	114.3	Y100 S107	Y100-R102 PolarHBondContact O-N 3.47Å; Y100-R102 VanDerWaalsContact O-N 3.12Å; R102-S107 WeakPolarHBondContact O-CB 3.44Å
103	D	98.1	Very high	94.9	Very high	53 Å²	53	87 Å²	87	28%	0.283	45%	0.453	S	S	.	.	G	3₁₀ helix	trans	-89.4	-11.4	179.8	-52.9	-47.5	0	0	0	111.9	L99 Y100 A101 G110	L99-D103 HydrophobicContact CD2-CB 4.48Å; Y100-D103 WeakPolarHBondContact CB-OD2 3.46Å; Y100-D103 PolarHBondContact N-OD2 3.02Å; Y100-D103 WeakPolarHBondContact O-CB 3.26Å; Y100-D103 PolarHBondContact O-N 2.82Å; A101-D103 PolarHBondContact O-N 3.24Å; D103-G110 WeakPolarHBondContact O-CA 3.33Å
104	L	98.4	Very high	96.4	Very high	22 Å²	22	78.4 Å²	78.4	12%	0.115	42%	0.415	C	S	.	.	S	Bend	trans	-78.6	171.8	173.8	-55.5	-172.5	0	0	0	111.3	A101 S107 A113 T114 F117 L166	A101-L104 WeakPolarHBondContact O-CB 3.39Å; A101-L104 PolarHBondContact O-N 3.03Å; L104-S107 WeakPolarHBondContact O-CB 3.33Å; L104-S107 PolarHBondContact O-N 2.85Å; L104-A113 HydrophobicContact CD2-CB 3.9Å; L104-T114 WeakPolarHBondContact CA-OG1 3.48Å; L104-F117 HydrophobicContact CD1-CD1 3.92Å; L104-F117 HydrophobicContact CD1-CE1 4.37Å; L104-F117 HydrophobicContact CD1-CG 4.35Å; L104-L166 HydrophobicContact CD1-CD1 4.07Å; L104-L166 HydrophobicContact CD1-CD2 4.06Å; L104-L166 HydrophobicContact CD2-CD1 3.59Å; L104-L166 HydrophobicContact CG-CD1 3.95Å
105	L	98.3	Very high	97	Very high	100 Å²	100	80.1 Å²	80.1	52%	0.524	42%	0.422	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.7	134.5	170.5	-72.4	175	0	0	0	109.8	E111 T114	L105-E111 HydrophobicContact CD2-CB 4.4Å; L105-T114 HydrophobicContact CB-CG2 4.46Å; L105-T114 HydrophobicContact CD1-CG2 4.25Å; L105-T114 HydrophobicContact CG-CG2 4.45Å; L105-T114 PolarHBondContact N-OG1 2.69Å
106	P	98.1	Very high	97.2	Very high	136 Å²	136	76.1 Å²	76.1	88%	0.883	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	cis	-90.9	16.3	18.2	36.8	-37.8	0	0	0	116.1
107	S	97.5	Very high	97.3	Very high	48 Å²	48	77.3 Å²	77.3	34%	0.336	41%	0.405	S	S	.	.	S	Bend	trans	-59.5	145.9	178.4	-170.8	0	0	0	0	113	R102 L104 N109 G110	R102-S107 WeakPolarHBondContact O-CB 3.44Å; L104-S107 WeakPolarHBondContact O-CB 3.33Å; L104-S107 PolarHBondContact O-N 2.85Å; S107-N109 PolarHBondContact O-N 2.72Å; S107-G110 PolarHBondContact O-N 2.8Å
108	K	93.5	Very high	97.3	Very high	189 Å²	189	79.4 Å²	79.4	82%	0.822	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.4	116.6	178.1	-170.7	178.6	-178.3	-178.6	0	108.6
109	N	94.1	Very high	97.4	Very high	152 Å²	152	78.3 Å²	78.3	81%	0.813	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.3	11.2	-171.5	-42.6	-39.5	0	0	0	115.6	S107 E111	S107-N109 PolarHBondContact O-N 2.72Å; N109-E111 PolarHBondContact O-N 2.99Å
110	G	96.8	Very high	97.4	Very high	3 Å²	3	78.7 Å²	78.7	3%	0.031	41%	0.406	C	S	.	.			trans	-76.7	-1.5	177.8	0	0	0	0	0	115.3	D103 S107 T114	D103-G110 WeakPolarHBondContact O-CA 3.33Å; S107-G110 PolarHBondContact O-N 2.8Å; G110-T114 VanDerWaalsContact O-CB 3.32Å; G110-T114 WeakPolarHBondContact O-CB 3.5Å; G110-T114 PolarHBondContact O-N 2.94Å; G110-T114 PolarHBondContact O-OG1 2.69Å
111	E	97.1	Very high	97.4	Very high	129 Å²	129	77 Å²	77	60%	0.603	40%	0.402	S	S	*	.	H	α-helix	trans	-62.2	-52.1	-172.9	-174.1	176.5	168.3	0	0	112.8	L105 N109 A113 T114 L115	L105-E111 HydrophobicContact CD2-CB 4.4Å; N109-E111 PolarHBondContact O-N 2.99Å; E111-A113 PolarHBondContact O-N 3.4Å; E111-T114 WeakPolarHBondContact O-CB 3.46Å; E111-T114 PolarHBondContact O-N 2.85Å; E111-L115 HydrophobicContact CG-CD1 4.31Å; E111-L115 WeakPolarHBondContact O-CG 3.35Å; E111-L115 PolarHBondContact O-N 2.78Å
112	E	96.3	Very high	97.4	Very high	103 Å²	103	76.9 Å²	76.9	48%	0.481	39%	0.391	S	S	.	.	H	α-helix	trans	-62.5	-46.9	-178.8	-175.6	60.5	-153	0	0	111.2	T114 L115 Q116	E112-T114 VanDerWaalsContact C-N 3.27Å; E112-T114 PolarHBondContact O-N 3.35Å; E112-L115 PolarHBondContact O-N 2.78Å; E112-Q116 HydrophobicContact CG-CG 4.44Å; E112-Q116 WeakPolarHBondContact O-CG 3.36Å; E112-Q116 PolarHBondContact O-N 2.75Å; E112-Q116 WeakPolarHBondContact OE1-CG 3.41Å; E112-Q116 PolarHBondContact OE1-NE2 2.9Å
113	A	96.3	Very high	97.4	Very high	18 Å²	18	72.8 Å²	72.8	15%	0.149	38%	0.379	C	S	.	.	H	α-helix	trans	-59.4	-39	177	0	0	0	0	0	111.9	L99 L104 E111 F117	L99-A113 HydrophobicContact CD1-CB 4.37Å; L104-A113 HydrophobicContact CD2-CB 3.9Å; E111-A113 PolarHBondContact O-N 3.4Å; A113-F117 WeakPolarHBondContact O-CB 3.48Å; A113-F117 PolarHBondContact O-N 3.14Å
114	T	98.1	Very high	97.5	Very high	20 Å²	20	71.1 Å²	71.1	12%	0.123	37%	0.37	C	S	.	.	H	α-helix	trans	-63.5	-46.7	176.2	-57.6	0	0	0	0	111.3	L104 L105 G110 E111 E112 L118	L104-T114 WeakPolarHBondContact CA-OG1 3.48Å; L105-T114 HydrophobicContact CB-CG2 4.46Å; L105-T114 HydrophobicContact CD1-CG2 4.25Å; L105-T114 HydrophobicContact CG-CG2 4.45Å; L105-T114 PolarHBondContact N-OG1 2.69Å; G110-T114 VanDerWaalsContact O-CB 3.32Å; G110-T114 WeakPolarHBondContact O-CB 3.5Å; G110-T114 PolarHBondContact O-N 2.94Å; G110-T114 PolarHBondContact O-OG1 2.69Å; E111-T114 WeakPolarHBondContact O-CB 3.46Å; E111-T114 PolarHBondContact O-N 2.85Å; E112-T114 VanDerWaalsContact C-N 3.27Å; E112-T114 PolarHBondContact O-N 3.35Å; T114-L118 HydrophobicContact CG2-CD1 3.92Å; T114-L118 HydrophobicContact CG2-CG 4.49Å; T114-L118 WeakPolarHBondContact O-CB 3.36Å; T114-L118 VanDerWaalsContact O-CG 3.25Å; T114-L118 WeakPolarHBondContact O-CG 3.46Å; T114-L118 PolarHBondContact O-N 3.4Å
115	L	97.5	Very high	97.5	Very high	81 Å²	81	72.4 Å²	72.4	42%	0.424	38%	0.377	S	S	.	.	H	α-helix	trans	-65	-45.1	-180	-69.4	175.1	0	0	0	111.7	E111 E112 L118 L119	E111-L115 HydrophobicContact CG-CD1 4.31Å; E111-L115 WeakPolarHBondContact O-CG 3.35Å; E111-L115 PolarHBondContact O-N 2.78Å; E112-L115 PolarHBondContact O-N 2.78Å; L115-L118 PolarHBondContact O-N 3.23Å; L115-L119 WeakPolarHBondContact O-CB 3.19Å; L115-L119 VanDerWaalsContact O-CG 3.23Å; L115-L119 WeakPolarHBondContact O-CG 3.42Å; L115-L119 PolarHBondContact O-N 2.75Å
116	Q	97.7	Very high	97.5	Very high	22 Å²	22	70.1 Å²	70.1	10%	0.103	37%	0.367	C	S	.	.	H	α-helix	trans	-64.3	-45.2	177.9	-63.9	-60.3	-26.8	0	0	111.5	T94 F96 E112 L118 L119 E120	T94-Q116 HydrophobicContact CG2-CB 4.35Å; F96-Q116 HydrophobicContact CE1-CB 4.46Å; F96-Q116 HydrophobicContact CZ-CB 3.82Å; E112-Q116 HydrophobicContact CG-CG 4.44Å; E112-Q116 WeakPolarHBondContact O-CG 3.36Å; E112-Q116 PolarHBondContact O-N 2.75Å; E112-Q116 WeakPolarHBondContact OE1-CG 3.41Å; E112-Q116 PolarHBondContact OE1-NE2 2.9Å; Q116-L118 PolarHBondContact O-N 3.4Å; Q116-L119 PolarHBondContact O-N 3.32Å; Q116-L119 VanDerWaalsContact O-N 3.16Å; Q116-E120 PolarHBondContact O-N 2.89Å
117	F	98.4	Very high	97.5	Very high	28 Å²	28	66.1 Å²	66.1	12%	0.123	34%	0.342	C	S	.	.	H	α-helix	trans	-58.4	-47.9	177.1	175	-106	0	0	0	111.7	F96 L104 A113 L119 E120 V121 L166 I169 L170	F96-F117 HydrophobicContact CE1-CB 3.79Å; F96-F117 HydrophobicContact CE1-CD2 4.45Å; F96-F117 HydrophobicContact CZ-CB 4.27Å; L104-F117 HydrophobicContact CD1-CD1 3.92Å; L104-F117 HydrophobicContact CD1-CE1 4.37Å; L104-F117 HydrophobicContact CD1-CG 4.35Å; A113-F117 WeakPolarHBondContact O-CB 3.48Å; A113-F117 PolarHBondContact O-N 3.14Å; F117-L119 VanDerWaalsContact C-N 3.31Å; F117-L119 PolarHBondContact O-N 3.34Å; F117-E120 PolarHBondContact O-N 2.86Å; F117-V121 HydrophobicContact CD1-CG2 4.48Å; F117-V121 HydrophobicContact CE1-CG2 4.05Å; F117-V121 HydrophobicContact CE2-CG2 4.19Å; F117-V121 HydrophobicContact CZ-CG2 3.89Å; F117-V121 WeakPolarHBondContact O-CG2 3.38Å; F117-V121 PolarHBondContact O-N 3.43Å; F117-L166 HydrophobicContact CD2-CB 4.04Å; F117-L166 HydrophobicContact CD2-CD1 4.2Å; F117-L166 HydrophobicContact CD2-CD2 4.14Å; F117-L166 HydrophobicContact CD2-CG 4.35Å; F117-L166 HydrophobicContact CE2-CB 4.16Å; F117-L166 HydrophobicContact CE2-CD2 3.94Å; F117-L166 HydrophobicContact CG-CD1 4.4Å; F117-L166 HydrophobicContact CZ-CD2 4.24Å; F117-I169 HydrophobicContact CE2-CG2 4.23Å; F117-I169 HydrophobicContact CZ-CG2 3.87Å; F117-L170 HydrophobicContact CD2-CD2 4.02Å; F117-L170 HydrophobicContact CD2-CG 4.25Å; F117-L170 HydrophobicContact CE2-CD2 3.71Å; F117-L170 HydrophobicContact CE2-CG 3.94Å
118	L	98.4	Very high	97.5	Very high	93 Å²	93	65.7 Å²	65.7	49%	0.487	33%	0.333	S	S	.	.	H	α-helix	trans	-63.2	-37	177.3	-69.9	171.8	0	0	0	112	T114 L115 Q116 V121 M122	T114-L118 HydrophobicContact CG2-CD1 3.92Å; T114-L118 HydrophobicContact CG2-CG 4.49Å; T114-L118 WeakPolarHBondContact O-CB 3.36Å; T114-L118 VanDerWaalsContact O-CG 3.25Å; T114-L118 WeakPolarHBondContact O-CG 3.46Å; T114-L118 PolarHBondContact O-N 3.4Å; L115-L118 PolarHBondContact O-N 3.23Å; Q116-L118 PolarHBondContact O-N 3.4Å; L118-V121 PolarHBondContact O-N 2.86Å; L118-M122 WeakPolarHBondContact O-CB 3.39Å; L118-M122 WeakPolarHBondContact O-CG 3.41Å; L118-M122 PolarHBondContact O-N 3.33Å
119	L	98.2	Very high	97.8	Very high	96 Å²	96	58 Å²	58	50%	0.503	30%	0.302	S	S	.	.	H	α-helix	trans	-64.9	-39.5	175.9	-75.1	171.2	0	0	0	112.4	L115 Q116 F117 M122 E123	L115-L119 WeakPolarHBondContact O-CB 3.19Å; L115-L119 VanDerWaalsContact O-CG 3.23Å; L115-L119 WeakPolarHBondContact O-CG 3.42Å; L115-L119 PolarHBondContact O-N 2.75Å; Q116-L119 PolarHBondContact O-N 3.32Å; Q116-L119 VanDerWaalsContact O-N 3.16Å; F117-L119 VanDerWaalsContact C-N 3.31Å; F117-L119 PolarHBondContact O-N 3.34Å; L119-M122 WeakPolarHBondContact O-CB 3.46Å; L119-M122 PolarHBondContact O-N 3.16Å; L119-E123 PolarHBondContact O-N 3.01Å
120	E	98.3	Very high	98	Very high	55 Å²	55	59.7 Å²	59.7	26%	0.257	30%	0.297	S	S	.	.	H	α-helix	trans	-66.8	-43.4	175.1	-73	-54.5	140.5	0	0	112.1	F96 Q116 F117 M122 E123 I124 L170	F96-E120 HydrophobicContact CE2-CG 3.71Å; F96-E120 HydrophobicContact CZ-CG 4.26Å; Q116-E120 PolarHBondContact O-N 2.89Å; F117-E120 PolarHBondContact O-N 2.86Å; E120-M122 VanDerWaalsContact C-N 3.27Å; E120-M122 PolarHBondContact O-N 2.89Å; E120-E123 WeakPolarHBondContact O-CB 3.49Å; E120-E123 PolarHBondContact O-N 3.37Å; E120-E123 VanDerWaalsContact O-N 3.1Å; E120-I124 WeakPolarHBondContact O-CG1 3.38Å; E120-I124 PolarHBondContact O-N 3.48Å; E120-L170 HydrophobicContact CB-CD1 4.01Å; E120-L170 HydrophobicContact CB-CD2 4.02Å; E120-L170 HydrophobicContact CG-CD1 4.5Å
121	V	98.6	Very high	98.1	Very high	29 Å²	29	64.6 Å²	64.6	18%	0.176	32%	0.318	C	S	.	.	H	α-helix	trans	-56.5	-45.8	171.3	173.6	0	0	0	0	110	F117 L118 E123 I124 L125 L170	F117-V121 HydrophobicContact CD1-CG2 4.48Å; F117-V121 HydrophobicContact CE1-CG2 4.05Å; F117-V121 HydrophobicContact CE2-CG2 4.19Å; F117-V121 HydrophobicContact CZ-CG2 3.89Å; F117-V121 WeakPolarHBondContact O-CG2 3.38Å; F117-V121 PolarHBondContact O-N 3.43Å; L118-V121 PolarHBondContact O-N 2.86Å; V121-E123 VanDerWaalsContact C-N 3.3Å; V121-E123 PolarHBondContact O-N 2.87Å; V121-I124 WeakPolarHBondContact O-CB 3.46Å; V121-I124 PolarHBondContact O-N 2.95Å; V121-I124 VanDerWaalsContact O-N 3.17Å; V121-L125 HydrophobicContact CG1-CD1 4.19Å; V121-L125 HydrophobicContact CG1-CG 4.28Å; V121-L125 VanDerWaalsContact O-CG 3.32Å; V121-L125 WeakPolarHBondContact O-CG 3.42Å; V121-L125 PolarHBondContact O-N 2.83Å; V121-L170 HydrophobicContact CG2-CD2 3.58Å
122	M	98.3	Very high	98.2	Very high	66 Å²	66	58.5 Å²	58.5	33%	0.325	29%	0.289	S	S	.	.	H	α-helix	trans	-63	-33.3	177.6	-72.8	-62.3	-56.9	0	0	113.2	L118 L119 E120 L125 T126 W205	L118-M122 WeakPolarHBondContact O-CB 3.39Å; L118-M122 WeakPolarHBondContact O-CG 3.41Å; L118-M122 PolarHBondContact O-N 3.33Å; L119-M122 WeakPolarHBondContact O-CB 3.46Å; L119-M122 PolarHBondContact O-N 3.16Å; E120-M122 VanDerWaalsContact C-N 3.27Å; E120-M122 PolarHBondContact O-N 2.89Å; M122-L125 HydrophobicContact SD-CD1 4.08Å; M122-T126 WeakPolarHBondContact O-CB 3.45Å; M122-T126 VanDerWaalsContact O-CG2 3.25Å; M122-T126 WeakPolarHBondContact O-CG2 3.41Å; M122-T126 PolarHBondContact O-N 3.31Å; M122-T126 PolarHBondContact O-OG1 3.05Å; M122-W205 HydrophobicContact CE-CD2 4.39Å; M122-W205 HydrophobicContact CE-CE3 3.85Å; M122-W205 HydrophobicContact CE-CH2 3.4Å; M122-W205 HydrophobicContact CE-CZ2 3.97Å; M122-W205 HydrophobicContact CE-CZ3 3.35Å; M122-W205 HydrophobicContact SD-CH2 4.35Å; M122-W205 HydrophobicContact SD-CZ2 4.36Å; M122-W205 HydrophobicContact SD-CZ3 4.48Å
123	E	98.1	Very high	98.3	Very high	86 Å²	86	57.1 Å²	57.1	40%	0.402	28%	0.282	S	S	.	.	H	α-helix	trans	-65.2	-43.6	173.3	-175	152.4	175.2	0	0	111.4	R91 L119 E120 V121 T126 S127	R91-E123 IonicContact CZ-OE2 3.77Å; R91-E123 IonicContact NH1-OE2 3.33Å; R91-E123 IonicContact NH2-OE2 3.84Å; R91-E123 PolarHBondContact NH2-OE2 3.46Å; L119-E123 PolarHBondContact O-N 3.01Å; E120-E123 WeakPolarHBondContact O-CB 3.49Å; E120-E123 PolarHBondContact O-N 3.37Å; E120-E123 VanDerWaalsContact O-N 3.1Å; V121-E123 VanDerWaalsContact C-N 3.3Å; V121-E123 PolarHBondContact O-N 2.87Å; E123-T126 PolarHBondContact O-N 3.39Å; E123-T126 PolarHBondContact O-OG1 3.19Å; E123-S127 VanDerWaalsContact O-CB 3.31Å; E123-S127 WeakPolarHBondContact O-CB 3.35Å; E123-S127 PolarHBondContact O-N 2.99Å
124	I	98.6	Very high	98.4	Very high	18 Å²	18	59.9 Å²	59.9	9%	0.092	29%	0.294	C	S	.	.	H	α-helix	trans	-58.6	-50.8	173.3	-65	159.7	0	0	0	110.8	E120 V121 T126 S127 Y128 L170 C173 R174 L177	E120-I124 WeakPolarHBondContact O-CG1 3.38Å; E120-I124 PolarHBondContact O-N 3.48Å; V121-I124 WeakPolarHBondContact O-CB 3.46Å; V121-I124 PolarHBondContact O-N 2.95Å; V121-I124 VanDerWaalsContact O-N 3.17Å; I124-T126 PolarHBondContact O-N 3.27Å; I124-S127 WeakPolarHBondContact O-CB 3.48Å; I124-S127 PolarHBondContact O-N 3.18Å; I124-Y128 PolarHBondContact O-N 2.92Å; I124-L170 HydrophobicContact CD1-CB 4.22Å; I124-L170 HydrophobicContact CD1-CD2 3.89Å; I124-C173 HydrophobicContact CD1-CB 4.38Å; I124-R174 HydrophobicContact CB-CG 4.49Å; I124-R174 HydrophobicContact CD1-CG 3.8Å; I124-R174 HydrophobicContact CG1-CG 3.79Å; I124-R174 HydrophobicContact CG2-CG 3.84Å; I124-L177 HydrophobicContact CG2-CD1 3.96Å
125	L	98.8	Very high	98.4	Very high	49 Å²	49	62.9 Å²	62.9	26%	0.257	30%	0.303	S	S	.	.	H	α-helix	trans	-60.8	-46.9	-179.2	-64.9	-177.5	0	0	0	111.6	V121 M122 S127 Y128 V129 L177 W205	V121-L125 HydrophobicContact CG1-CD1 4.19Å; V121-L125 HydrophobicContact CG1-CG 4.28Å; V121-L125 VanDerWaalsContact O-CG 3.32Å; V121-L125 WeakPolarHBondContact O-CG 3.42Å; V121-L125 PolarHBondContact O-N 2.83Å; M122-L125 HydrophobicContact SD-CD1 4.08Å; L125-S127 VanDerWaalsContact C-N 3.34Å; L125-S127 PolarHBondContact O-N 3.36Å; L125-Y128 WeakPolarHBondContact O-CB 3.29Å; L125-Y128 PolarHBondContact O-N 2.93Å; L125-V129 WeakPolarHBondContact O-CG2 3.38Å; L125-V129 PolarHBondContact O-N 2.81Å; L125-L177 HydrophobicContact CD2-CD1 3.98Å; L125-W205 HydrophobicContact CB-CZ2 4.37Å; L125-W205 HydrophobicContact CD1-CZ2 4.09Å
126	T	98.3	Very high	98.4	Very high	51 Å²	51	63.6 Å²	63.6	31%	0.313	32%	0.315	S	S	.	.	H	α-helix	trans	-69.4	-32	-178.9	55.7	0	0	0	0	112.6	M122 E123 I124 V129 R130	M122-T126 WeakPolarHBondContact O-CB 3.45Å; M122-T126 VanDerWaalsContact O-CG2 3.25Å; M122-T126 WeakPolarHBondContact O-CG2 3.41Å; M122-T126 PolarHBondContact O-N 3.31Å; M122-T126 PolarHBondContact O-OG1 3.05Å; E123-T126 PolarHBondContact O-N 3.39Å; E123-T126 PolarHBondContact O-OG1 3.19Å; I124-T126 PolarHBondContact O-N 3.27Å; T126-V129 PolarHBondContact O-N 3.39Å; T126-R130 WeakPolarHBondContact O-CG 3.46Å; T126-R130 PolarHBondContact O-N 3.45Å
127	S	98.5	Very high	98.4	Very high	52 Å²	52	63.9 Å²	63.9	36%	0.364	32%	0.318	S	S	.	.	H	α-helix	trans	-61	-44.2	169	-175.4	0	0	0	0	111.5	E123 I124 L125 R130 K131	E123-S127 VanDerWaalsContact O-CB 3.31Å; E123-S127 WeakPolarHBondContact O-CB 3.35Å; E123-S127 PolarHBondContact O-N 2.99Å; I124-S127 WeakPolarHBondContact O-CB 3.48Å; I124-S127 PolarHBondContact O-N 3.18Å; L125-S127 VanDerWaalsContact C-N 3.34Å; L125-S127 PolarHBondContact O-N 3.36Å; S127-R130 PolarHBondContact O-N 2.71Å; S127-K131 PolarHBondContact O-N 2.99Å; S127-K131 VanDerWaalsContact O-N 3.13Å
128	Y	98.8	Very high	98.4	Very high	40 Å²	40	67.2 Å²	67.2	16%	0.157	33%	0.333	C	S	.	.	H	α-helix	trans	-63.6	-41.5	174.5	-178	-88.6	0	0	0	112.7	I124 L125 R130 K131 T132 L177 V181 R182	I124-Y128 PolarHBondContact O-N 2.92Å; L125-Y128 WeakPolarHBondContact O-CB 3.29Å; L125-Y128 PolarHBondContact O-N 2.93Å; Y128-R130 VanDerWaalsContact C-N 3.34Å; Y128-R130 PolarHBondContact O-N 2.98Å; Y128-K131 PolarHBondContact O-N 3.38Å; Y128-T132 WeakPolarHBondContact CE1-OG1 3.43Å; Y128-T132 WeakPolarHBondContact O-CB 3.37Å; Y128-T132 PolarHBondContact O-N 3.04Å; Y128-T132 PolarHBondContact O-OG1 2.99Å; Y128-L177 HydrophobicContact CD1-CD2 4.28Å; Y128-L177 HydrophobicContact CD2-CB 3.71Å; Y128-L177 HydrophobicContact CD2-CD1 4.26Å; Y128-L177 HydrophobicContact CD2-CD2 3.99Å; Y128-L177 HydrophobicContact CD2-CG 4.21Å; Y128-L177 HydrophobicContact CE1-CD2 4.29Å; Y128-L177 HydrophobicContact CE2-CB 3.98Å; Y128-L177 HydrophobicContact CE2-CD2 3.99Å; Y128-L177 VanDerWaalsContact CE2-O 3.32Å; Y128-L177 WeakPolarHBondContact CE2-O 3.34Å; Y128-L177 HydrophobicContact CG-CB 4.42Å; Y128-L177 HydrophobicContact CG-CD1 4.16Å; Y128-L177 HydrophobicContact CG-CD2 4.12Å; Y128-L177 HydrophobicContact CG-CG 4.49Å; Y128-V181 PolarHBondContact OH-O 2.87Å; Y128-R182 HydrophobicContact CE2-CG 4.17Å; Y128-R182 PolarHBondContact O-NH1 3.11Å; Y128-R182 WeakPolarHBondContact OH-CA 3.31Å
129	V	98.7	Very high	98.4	Very high	28 Å²	28	62.8 Å²	62.8	17%	0.17	31%	0.309	C	S	.	.	H	α-helix	trans	-58.2	-45.3	175.3	171.1	0	0	0	0	110.8	L125 T126 T132 F133 L196 I198 L201	L125-V129 WeakPolarHBondContact O-CG2 3.38Å; L125-V129 PolarHBondContact O-N 2.81Å; T126-V129 PolarHBondContact O-N 3.39Å; V129-T132 WeakPolarHBondContact O-CB 3.36Å; V129-T132 PolarHBondContact O-N 2.79Å; V129-F133 HydrophobicContact CG1-CE2 4.1Å; V129-F133 VanDerWaalsContact O-CD2 3.24Å; V129-F133 WeakPolarHBondContact O-CD2 3.47Å; V129-L196 HydrophobicContact CG2-CD2 4.13Å; V129-I198 HydrophobicContact CG1-CD1 3.9Å; V129-L201 HydrophobicContact CG2-CD2 3.87Å
130	R	98.2	Very high	98.4	Very high	187 Å²	187	59 Å²	59	71%	0.706	29%	0.29	S	S	*	.	H	α-helix	trans	-59.4	-50.1	177.2	-70.7	174.4	-171.4	171.2	6.1	111.6	T126 S127 Y128 T132 F133	T126-R130 WeakPolarHBondContact O-CG 3.46Å; T126-R130 PolarHBondContact O-N 3.45Å; S127-R130 PolarHBondContact O-N 2.71Å; Y128-R130 VanDerWaalsContact C-N 3.34Å; Y128-R130 PolarHBondContact O-N 2.98Å; R130-T132 PolarHBondContact O-N 3.28Å; R130-F133 PolarHBondContact O-N 3.47Å
131	K	98.5	Very high	98.4	Very high	105 Å²	105	58.9 Å²	58.9	46%	0.457	29%	0.291	S	S	.	.	H	α-helix	trans	-61.4	-32.4	178.9	-73.7	179.7	-176.8	179.9	0	112.4	S127 Y128 F133 D134 T137	S127-K131 PolarHBondContact O-N 2.99Å; S127-K131 VanDerWaalsContact O-N 3.13Å; Y128-K131 PolarHBondContact O-N 3.38Å; K131-F133 PolarHBondContact O-N 3.3Å; K131-D134 PolarHBondContact O-N 3.4Å; K131-D134 VanDerWaalsContact O-N 3.09Å; K131-T137 HydrophobicContact CB-CG2 4.01Å; K131-T137 HydrophobicContact CG-CG2 4.34Å; K131-T137 PolarHBondContact O-OG1 3.49Å
132	T	98.8	Very high	98.3	Very high	1 Å²	1	60.5 Å²	60.5	1%	0.006	30%	0.296	C	S	.	.	H	α-helix	trans	-59.6	-31.8	-179	-64.7	0	0	0	0	113.6	Y128 V129 R130 G184 H185 L196	Y128-T132 WeakPolarHBondContact CE1-OG1 3.43Å; Y128-T132 WeakPolarHBondContact O-CB 3.37Å; Y128-T132 PolarHBondContact O-N 3.04Å; Y128-T132 PolarHBondContact O-OG1 2.99Å; V129-T132 WeakPolarHBondContact O-CB 3.36Å; V129-T132 PolarHBondContact O-N 2.79Å; R130-T132 PolarHBondContact O-N 3.28Å; T132-G184 VanDerWaalsContact CG2-C 3.47Å; T132-H185 WeakPolarHBondContact O-CA 3.5Å; T132-L196 HydrophobicContact CG2-CD2 4.33Å
133	F	98.4	Very high	98.3	Very high	75 Å²	75	59.2 Å²	59.2	33%	0.329	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95	0.7	179.4	-59.9	-75.5	0	0	0	113.8	V129 R130 K131 L196 I198 A575	V129-F133 HydrophobicContact CG1-CE2 4.1Å; V129-F133 VanDerWaalsContact O-CD2 3.24Å; V129-F133 WeakPolarHBondContact O-CD2 3.47Å; R130-F133 PolarHBondContact O-N 3.47Å; K131-F133 PolarHBondContact O-N 3.3Å; F133-L196 HydrophobicContact CZ-CB 4.21Å; F133-I198 HydrophobicContact CE2-CD1 4.05Å; F133-I198 HydrophobicContact CZ-CD1 4.2Å; F133-A575 HydrophobicContact CD1-CB 4.02Å; F133-A575 HydrophobicContact CE1-CB 4.16Å
134	D	98.5	Very high	98.2	Very high	76 Å²	76	59.5 Å²	59.5	41%	0.406	29%	0.29	S	S	.	.			trans	-94.1	115.4	177.4	-176.5	-8.3	0	0	0	110.6	K131 S136 T137 H185	K131-D134 PolarHBondContact O-N 3.4Å; K131-D134 VanDerWaalsContact O-N 3.09Å; D134-S136 PolarHBondContact O-N 3.4Å; D134-S136 WeakPolarHBondContact OD1-CB 3.45Å; D134-S136 PolarHBondContact OD1-N 2.67Å; D134-S136 PolarHBondContact OD1-OG 3.37Å; D134-S136 PolarHBondContact OD2-OG 3.22Å; D134-T137 HydrophobicContact CB-CG2 4.1Å; D134-T137 PolarHBondContact O-N 2.8Å; D134-T137 VanDerWaalsContact O-N 3.1Å; D134-T137 PolarHBondContact O-OG1 3.31Å; D134-H185 PolarHBondContact O-NE2 2.68Å
135	R	98.5	Very high	98.1	Very high	82 Å²	82	63 Å²	63	31%	0.309	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-13.3	-178.2	-70.1	166.6	175.9	73.3	2.2	113.9	T137 P186 A575 T577 D580	R135-T137 VanDerWaalsContact C-N 3.27Å; R135-P186 HydrophobicContact CG-CB 4.5Å; R135-P186 HydrophobicContact CG-CG 4.31Å; R135-A575 PolarHBondContact NH2-O 3.26Å; R135-T577 PolarHBondContact NH2-OG1 3.03Å; R135-D580 WeakPolarHBondContact CD-OD1 3.41Å; R135-D580 IonicContact CZ-OD1 2.77Å; R135-D580 IonicContact CZ-OD2 3.83Å; R135-D580 IonicContact NE-OD1 3.48Å; R135-D580 PolarHBondContact NE-OD1 3.47Å; R135-D580 IonicContact NE-OD2 3.64Å; R135-D580 PolarHBondContact NE-OD2 3.1Å; R135-D580 IonicContact NH2-OD1 3.98Å; R135-D580 IonicContact NH2-OD2 3.59Å; R135-D580 PolarHBondContact NH2-OD2 3.2Å
136	S	97.9	Very high	97.9	Very high	97 Å²	97	65.4 Å²	65.4	68%	0.678	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76	-17.9	173.7	71.8	0	0	0	0	112.6	D134	D134-S136 PolarHBondContact O-N 3.4Å; D134-S136 WeakPolarHBondContact OD1-CB 3.45Å; D134-S136 PolarHBondContact OD1-N 2.67Å; D134-S136 PolarHBondContact OD1-OG 3.37Å; D134-S136 PolarHBondContact OD2-OG 3.22Å
137	T	98.4	Very high	97.7	Very high	28 Å²	28	66.4 Å²	66.4	17%	0.172	33%	0.325	C	S	.	.	S	Bend	trans	-80.3	148	177.6	69.9	0	0	0	0	111.1	K131 D134 R135 H185	K131-T137 HydrophobicContact CB-CG2 4.01Å; K131-T137 HydrophobicContact CG-CG2 4.34Å; K131-T137 PolarHBondContact O-OG1 3.49Å; D134-T137 HydrophobicContact CB-CG2 4.1Å; D134-T137 PolarHBondContact O-N 2.8Å; D134-T137 VanDerWaalsContact O-N 3.1Å; D134-T137 PolarHBondContact O-OG1 3.31Å; R135-T137 VanDerWaalsContact C-N 3.27Å; T137-H185 PolarHBondContact O-NE2 3.06Å
138	K	98.4	Very high	97.5	Very high	97 Å²	97	66.2 Å²	66.2	42%	0.422	32%	0.319	S	S	.	.			trans	-66.6	141.8	172.5	-68.3	-171.4	-179.5	-176.1	0	110.5	L140 D141 R182 G551	K138-L140 VanDerWaalsContact C-N 3.27Å; K138-D141 HydrophobicContact CD-CB 4.43Å; K138-D141 IonicContact NZ-OD1 3.9Å; K138-D141 PolarHBondContact NZ-OD1 2.87Å; K138-R182 VanDerWaalsContact O-CD 3.29Å; K138-R182 WeakPolarHBondContact O-CD 3.29Å; K138-G551 CarbonylContact C-O 3.54Å; K138-G551 WeakPolarHBondContact CA-O 3.44Å
139	V	98.6	Very high	97.3	Very high	0 Å²	0	70 Å²	70	0%	0	34%	0.342	C	S	.	.	S	Bend	trans	-62.4	-39.3	166.9	179.4	0	0	0	0	110.8	V181 R182 H185 R187 F188 G551 M554	V139-V181 HydrophobicContact CG1-CG1 4.33Å; V139-R182 PolarHBondContact O-N 2.78Å; V139-H185 HydrophobicContact CG2-CB 4.29Å; V139-H185 WeakPolarHBondContact CG2-ND1 3.45Å; V139-R187 HydrophobicContact CG2-CB 4.42Å; V139-F188 HydrophobicContact CG1-CB 4.11Å; V139-F188 HydrophobicContact CG1-CD2 3.83Å; V139-F188 HydrophobicContact CG1-CG 4.44Å; V139-G551 PolarHBondContact N-O 3.49Å; V139-M554 HydrophobicContact CB-CG 4.38Å; V139-M554 HydrophobicContact CG1-CB 4.29Å; V139-M554 HydrophobicContact CG1-CG 3.7Å; V139-M554 HydrophobicContact CG1-SD 3.66Å
140	L	98.3	Very high	96.8	Very high	18 Å²	18	76.2 Å²	76.2	9%	0.094	37%	0.369	C	S	.	.			trans	-152.5	138.8	178	172.7	61.6	0	0	0	108.3	K138 F142 V181 G551 M554	K138-L140 VanDerWaalsContact C-N 3.27Å; L140-F142 HydrophobicContact CD2-CB 4.07Å; L140-F142 HydrophobicContact CD2-CD2 3.99Å; L140-F142 HydrophobicContact CG-CB 4.22Å; L140-V181 HydrophobicContact CB-CG2 4.37Å; L140-V181 HydrophobicContact CD1-CG2 3.74Å; L140-V181 HydrophobicContact CD2-CG2 4.04Å; L140-V181 HydrophobicContact CG-CG2 4.25Å; L140-G551 WeakPolarHBondContact O-CA 3.42Å; L140-M554 HydrophobicContact CB-SD 4.22Å; L140-M554 HydrophobicContact CD2-CE 4.45Å; L140-M554 HydrophobicContact CD2-SD 4.41Å
141	D	97.3	Very high	95.7	Very high	52 Å²	52	69 Å²	69	28%	0.278	35%	0.353	S	S	.	.			trans	-93.4	97.7	160	-166.6	47.7	0	0	0	107.6	K138 H143	K138-D141 HydrophobicContact CD-CB 4.43Å; K138-D141 IonicContact NZ-OD1 3.9Å; K138-D141 PolarHBondContact NZ-OD1 2.87Å; D141-H143 PolarHBondContact O-CD2 3.38Å; D141-H143 VanDerWaalsContact O-CD2 3.25Å; D141-H143 PolarHBondContact O-N 2.83Å; D141-H143 IonicContact OD2-CD2 3.68Å; D141-H143 IonicContact OD2-CE1 2.74Å; D141-H143 IonicContact OD2-NE2 3.21Å; D141-H143 PolarHBondContact OD2-NE2 2.83Å
142	F	97.5	Very high	95.1	Very high	63 Å²	63	65.9 Å²	65.9	28%	0.276	34%	0.341	S	S	.	.			trans	-76.1	129.2	-168.5	177	-105	0	0	0	111.3	L140 H144 M548	L140-F142 HydrophobicContact CD2-CB 4.07Å; L140-F142 HydrophobicContact CD2-CD2 3.99Å; L140-F142 HydrophobicContact CG-CB 4.22Å; F142-H144 AromaticContact CE1-CE1 3.86Å; F142-H144 AromaticContact CE1-NE2 3.79Å; F142-M548 HydrophobicContact CB-CB 4.42Å; F142-M548 VanDerWaalsContact CB-O 3.29Å; F142-M548 WeakPolarHBondContact CB-O 3.39Å; F142-M548 HydrophobicContact CD2-CE 3.33Å; F142-M548 HydrophobicContact CE2-CE 3.26Å; F142-M548 HydrophobicContact CG-CB 4.29Å; F142-M548 HydrophobicContact CG-CE 4.11Å; F142-M548 HydrophobicContact CZ-CE 3.99Å
143	H	96.6	Very high	94.5	Very high	38 Å²	38	75.1 Å²	75.1	18%	0.176	38%	0.384	C	S	.	.			trans	-129.2	140.3	170.9	-66	-78.9	0	0	0	108.7	D141 Q147 L148 Y179	D141-H143 PolarHBondContact O-CD2 3.38Å; D141-H143 VanDerWaalsContact O-CD2 3.25Å; D141-H143 PolarHBondContact O-N 2.83Å; D141-H143 IonicContact OD2-CD2 3.68Å; D141-H143 IonicContact OD2-CE1 2.74Å; D141-H143 IonicContact OD2-NE2 3.21Å; D141-H143 PolarHBondContact OD2-NE2 2.83Å; H143-Q147 HydrophobicContact CB-CB 4.28Å; H143-L148 HydrophobicContact CB-CD1 4.33Å; H143-L148 HydrophobicContact CB-CD2 3.9Å; H143-L148 HydrophobicContact CB-CG 3.82Å; H143-Y179 AromaticContact CD2-CD1 3.76Å; H143-Y179 AromaticContact NE2-CD1 3.86Å; H143-Y179 AromaticContact NE2-CE1 3.83Å
144	H	95.9	Very high	93.9	Very high	92 Å²	92	73.9 Å²	73.9	43%	0.426	39%	0.392	S	S	.	.			trans	-66.6	154.1	168.6	-72.1	-82	0	0	0	110.4	F142 H146 Q147 L148	F142-H144 AromaticContact CE1-CE1 3.86Å; F142-H144 AromaticContact CE1-NE2 3.79Å; H144-H146 VanDerWaalsContact C-N 3.26Å; H144-H146 WeakPolarHBondContact CB-CE1 3.49Å; H144-H146 WeakPolarHBondContact CB-ND1 3.26Å; H144-H146 AromaticContact CG-CE1 3.82Å; H144-H146 PolarHBondContact O-N 2.86Å; H144-Q147 HydrophobicContact CB-CG 4.31Å; H144-Q147 WeakPolarHBondContact O-CB 3.47Å; H144-Q147 PolarHBondContact O-N 3.15Å; H144-L148 PolarHBondContact O-N 3.46Å
145	P	96.6	Very high	93.6	Very high	93 Å²	93	71.2 Å²	71.2	60%	0.604	38%	0.377	S	S	*	.	H	α-helix	trans	-54.1	-39.6	-179.1	-28.6	35.5	0	0	0	114.2	Q147 L148 L149	P145-Q147 VanDerWaalsContact C-N 3.31Å; P145-Q147 PolarHBondContact O-N 3.45Å; P145-L148 PolarHBondContact O-N 3.1Å; P145-L149 WeakPolarHBondContact O-CB 3.48Å; P145-L149 VanDerWaalsContact O-CG 3.27Å; P145-L149 WeakPolarHBondContact O-CG 3.49Å; P145-L149 PolarHBondContact O-N 3.14Å
146	H	95.4	Very high	93.4	Very high	99 Å²	99	71.4 Å²	71.4	46%	0.458	38%	0.384	S	S	.	.	H	α-helix	trans	-63.4	-35.4	179	63.7	-89.8	0	0	0	112.5	H144 L148 L149 E150	H144-H146 VanDerWaalsContact C-N 3.26Å; H144-H146 WeakPolarHBondContact CB-CE1 3.49Å; H144-H146 WeakPolarHBondContact CB-ND1 3.26Å; H144-H146 AromaticContact CG-CE1 3.82Å; H144-H146 PolarHBondContact O-N 2.86Å; H146-L148 PolarHBondContact O-N 3.22Å; H146-L149 PolarHBondContact O-N 3.27Å; H146-E150 WeakPolarHBondContact O-CB 3.48Å; H146-E150 VanDerWaalsContact O-CG 3.24Å; H146-E150 WeakPolarHBondContact O-CG 3.5Å; H146-E150 PolarHBondContact O-N 3.15Å
147	Q	93.6	Very high	93.3	Very high	72 Å²	72	71 Å²	71	34%	0.336	37%	0.374	S	S	.	.	H	α-helix	trans	-67.6	-36.9	178.2	-58.5	176.1	-79.4	0	0	111.9	H143 H144 P145	H143-Q147 HydrophobicContact CB-CB 4.28Å; H144-Q147 HydrophobicContact CB-CG 4.31Å; H144-Q147 WeakPolarHBondContact O-CB 3.47Å; H144-Q147 PolarHBondContact O-N 3.15Å; P145-Q147 VanDerWaalsContact C-N 3.31Å; P145-Q147 PolarHBondContact O-N 3.45Å
148	L	95.1	Very high	93.1	Very high	47 Å²	47	76.3 Å²	76.3	25%	0.246	40%	0.397	C	S	.	.	H	α-helix	trans	-73.9	-33.3	175.1	-65.2	175.1	0	0	0	112.1	H143 H144 P145 H146 M152 Y179	H143-L148 HydrophobicContact CB-CD1 4.33Å; H143-L148 HydrophobicContact CB-CD2 3.9Å; H143-L148 HydrophobicContact CB-CG 3.82Å; H144-L148 PolarHBondContact O-N 3.46Å; P145-L148 PolarHBondContact O-N 3.1Å; H146-L148 PolarHBondContact O-N 3.22Å; L148-M152 HydrophobicContact CD2-CG 3.96Å; L148-M152 HydrophobicContact CD2-SD 4.4Å; L148-Y179 HydrophobicContact CD2-CG 4.22Å
149	L	94	Very high	93.1	Very high	121 Å²	121	79.8 Å²	79.8	63%	0.634	42%	0.419	S	S	*	.	H	α-helix	trans	-76.6	-34.9	179.1	-73	170.4	0	0	0	113.4	P145 H146 G151 L157	P145-L149 WeakPolarHBondContact O-CB 3.48Å; P145-L149 VanDerWaalsContact O-CG 3.27Å; P145-L149 WeakPolarHBondContact O-CG 3.49Å; P145-L149 PolarHBondContact O-N 3.14Å; H146-L149 PolarHBondContact O-N 3.27Å; L149-G151 PolarHBondContact O-N 3.42Å; L149-G151 VanDerWaalsContact O-N 3.12Å; L149-L157 HydrophobicContact CD2-CD1 4.4Å
150	E	89.2	Confident	93	Very high	157 Å²	157	84 Å²	84	73%	0.734	45%	0.448	S	S	*	.	S	Bend	trans	-64.4	-11	174.4	-76.6	168.6	-165.3	0	0	112.5	H146	H146-E150 WeakPolarHBondContact O-CB 3.48Å; H146-E150 VanDerWaalsContact O-CG 3.24Å; H146-E150 WeakPolarHBondContact O-CG 3.5Å; H146-E150 PolarHBondContact O-N 3.15Å
151	G	73.6	Confident	93	Very high	37 Å²	37	91.1 Å²	91.1	38%	0.381	49%	0.486	S	S	.	.			trans	95.1	120	178.6	0	0	0	0	0	110.7	L149	L149-G151 PolarHBondContact O-N 3.42Å; L149-G151 VanDerWaalsContact O-N 3.12Å
152	M	87	Confident	93.1	Very high	39 Å²	39	95.5 Å²	95.5	19%	0.192	51%	0.505	C	S	.	.	B	Isolated β-bridge	trans	-78.1	146	163.6	-60.3	-62	-74.3	0	0	107.5	L148 G154 F155 Y179	L148-M152 HydrophobicContact CD2-CG 3.96Å; L148-M152 HydrophobicContact CD2-SD 4.4Å; M152-G154 PolarHBondContact O-N 3.46Å; M152-F155 HydrophobicContact CB-CB 4.23Å; M152-F155 HydrophobicContact CB-CD1 4.48Å; M152-F155 PolarHBondContact O-N 2.55Å; M152-Y179 HydrophobicContact CB-CE2 3.96Å; M152-Y179 HydrophobicContact CE-CD1 4.49Å; M152-Y179 HydrophobicContact CE-CE1 3.55Å; M152-Y179 VanDerWaalsContact CE-OH 3.32Å; M152-Y179 WeakPolarHBondContact CE-OH 3.4Å; M152-Y179 HydrophobicContact CG-CD2 4.47Å; M152-Y179 HydrophobicContact CG-CE1 4.43Å; M152-Y179 HydrophobicContact CG-CE2 3.93Å
153	E	86.2	Confident	93.1	Very high	195 Å²	195	95.7 Å²	95.7	91%	0.911	51%	0.513	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.7	114.5	-177.7	-172.9	178.8	-174.5	0	0	111.3
154	G	84.6	Confident	93.2	Very high	48 Å²	48	97.4 Å²	97.4	50%	0.495	52%	0.521	S	S	.	.	T	Hydrogen-bonded Turn	trans	83	0.9	-179	0	0	0	0	0	116.4	M152 Q168	M152-G154 PolarHBondContact O-N 3.46Å; G154-Q168 PolarHBondContact O-NE2 2.88Å
155	F	93	Very high	93.3	Very high	20 Å²	20	94.2 Å²	94.2	9%	0.088	51%	0.509	C	S	.	.	B	Isolated β-bridge	trans	-125.1	99.6	-178.6	-177.4	-126.6	0	0	0	110.9	M152 L157 D172 D175 Y179	M152-F155 HydrophobicContact CB-CB 4.23Å; M152-F155 HydrophobicContact CB-CD1 4.48Å; M152-F155 PolarHBondContact O-N 2.55Å; F155-L157 HydrophobicContact CD1-CD2 4.41Å; F155-L157 HydrophobicContact CE1-CD2 3.65Å; F155-L157 HydrophobicContact CE1-CG 4.48Å; F155-L157 HydrophobicContact CE2-CD2 4.26Å; F155-L157 HydrophobicContact CZ-CD2 3.57Å; F155-D172 HydrophobicContact CD2-CB 4.35Å; F155-D172 HydrophobicContact CE2-CB 4.2Å; F155-D175 HydrophobicContact CB-CB 3.99Å; F155-D175 HydrophobicContact CD1-CB 4.18Å; F155-D175 HydrophobicContact CD2-CB 3.76Å; F155-D175 HydrophobicContact CE2-CB 4.25Å; F155-D175 HydrophobicContact CG-CB 3.72Å; F155-Y179 HydrophobicContact CD1-CD2 4.12Å; F155-Y179 HydrophobicContact CD1-CE2 4.25Å; F155-Y179 HydrophobicContact CE1-CD2 4.27Å
156	N	93.5	Very high	93.4	Very high	87 Å²	87	90 Å²	90	47%	0.465	48%	0.481	S	S	.	.			trans	-101.3	130	-179.7	-177.9	20.6	0	0	0	110.6	E158	N156-E158 WeakPolarHBondContact OD1-CB 3.33Å; N156-E158 PolarHBondContact OD1-N 2.88Å
157	L	95.8	Very high	93.5	Very high	87 Å²	87	88.4 Å²	88.4	46%	0.455	47%	0.474	S	S	.	.			trans	-91.1	-15.3	177.9	-61.9	179.2	0	0	0	113.1	L149 F155	L149-L157 HydrophobicContact CD2-CD1 4.4Å; F155-L157 HydrophobicContact CD1-CD2 4.41Å; F155-L157 HydrophobicContact CE1-CD2 3.65Å; F155-L157 HydrophobicContact CE1-CG 4.48Å; F155-L157 HydrophobicContact CE2-CD2 4.26Å; F155-L157 HydrophobicContact CZ-CD2 3.57Å
158	E	95.9	Very high	93.7	Very high	141 Å²	141	87.6 Å²	87.6	66%	0.659	47%	0.47	S	S	*	.			trans	-72.6	141.8	-179.7	-68.3	-66	151.4	0	0	111.4	N156	N156-E158 WeakPolarHBondContact OD1-CB 3.33Å; N156-E158 PolarHBondContact OD1-N 2.88Å
159	L	97.1	Very high	93.9	Very high	170 Å²	170	88.2 Å²	88.2	89%	0.89	47%	0.473	S	S	*	.			trans	-89.8	146.5	175.4	-58.8	177.6	0	0	0	110
160	S	97.1	Very high	94.1	Very high	88 Å²	88	82.5 Å²	82.5	62%	0.615	44%	0.443	S	S	*	.			trans	-132.5	163.7	178.5	87.8	0	0	0	0	112.5	Q162	S160-Q162 VanDerWaalsContact C-N 3.27Å; S160-Q162 PolarHBondContact O-N 3.14Å; S160-Q162 PolarHBondContact OG-N 3.43Å; S160-Q162 PolarHBondContact OG-O 2.86Å; S160-Q162 VanDerWaalsContact OG-O 3.05Å
161	D	98.4	Very high	94.5	Very high	167 Å²	167	76.7 Å²	76.7	89%	0.893	42%	0.419	S	S	*	.	S	Bend	trans	-68.4	-26.3	177.9	-70.8	-26.9	0	0	0	112.9
162	Q	98.2	Very high	95.7	Very high	145 Å²	145	76.2 Å²	76.2	68%	0.678	41%	0.407	S	S	*	.	S	Bend	trans	-94.3	141.2	-177.4	-63.3	-56	-50.3	0	0	110.7	S160	S160-Q162 VanDerWaalsContact C-N 3.27Å; S160-Q162 PolarHBondContact O-N 3.14Å; S160-Q162 PolarHBondContact OG-N 3.43Å; S160-Q162 PolarHBondContact OG-O 2.86Å; S160-Q162 VanDerWaalsContact OG-O 3.05Å
163	P	98.1	Very high	96.2	Very high	66 Å²	66	76.4 Å²	76.4	43%	0.429	41%	0.412	S	S	.	.	P	Polyproline II helix	trans	-71.6	146.1	175.3	32.1	-35	0	0	0	110.4	Y100	Y100-P163 HydrophobicContact CD1-CB 4.16Å; Y100-P163 HydrophobicContact CD1-CG 4.01Å; Y100-P163 HydrophobicContact CE1-CG 4.43Å
164	E	98.3	Very high	96.8	Very high	75 Å²	75	71.7 Å²	71.7	35%	0.35	39%	0.386	S	S	.	.	P	Polyproline II helix	trans	-85.3	157.7	167	-66.1	177.9	144.6	0	0	110.7	Y100 Q168 I169	Y100-E164 WeakPolarHBondContact CD1-O 3.45Å; E164-Q168 HydrophobicContact CB-CB 4.02Å; E164-Q168 HydrophobicContact CB-CG 4.04Å; E164-Q168 HydrophobicContact CG-CG 4.25Å; E164-I169 HydrophobicContact CB-CD1 4.42Å
165	S	98.5	Very high	97.4	Very high	25 Å²	25	70.3 Å²	70.3	18%	0.175	37%	0.367	C	S	.	.	P	Polyproline II helix	trans	-68.4	156.2	175	65.7	0	0	0	0	110.6	S97 L99 E167 Q168 I169	S97-S165 WeakPolarHBondContact O-CB 3.2Å; L99-S165 CarbonylContact O-C 3.54Å; L99-S165 WeakPolarHBondContact O-CA 3.28Å; S165-E167 PolarHBondContact O-N 2.97Å; S165-Q168 PolarHBondContact O-N 3.13Å; S165-Q168 PolarHBondContact OG-N 2.8Å; S165-I169 WeakPolarHBondContact O-CG1 3.4Å; S165-I169 PolarHBondContact O-N 2.79Å; S165-I169 VanDerWaalsContact O-N 3.08Å
166	L	98.5	Very high	97.7	Very high	4 Å²	4	73.3 Å²	73.3	2%	0.021	39%	0.387	C	S	.	.	H	α-helix	trans	-60.5	-27.6	175.8	-68.7	-178.5	0	0	0	111.9	F96 L99 L104 F117 I169 L170	F96-L166 HydrophobicContact CB-CB 3.95Å; F96-L166 HydrophobicContact CD1-CB 3.92Å; F96-L166 HydrophobicContact CD1-CD1 4.07Å; F96-L166 HydrophobicContact CG-CB 4.29Å; L99-L166 HydrophobicContact CB-CB 4.47Å; L99-L166 HydrophobicContact CB-CD1 3.85Å; L99-L166 HydrophobicContact CB-CG 4.29Å; L99-L166 PolarHBondContact O-N 3.29Å; L104-L166 HydrophobicContact CD1-CD1 4.07Å; L104-L166 HydrophobicContact CD1-CD2 4.06Å; L104-L166 HydrophobicContact CD2-CD1 3.59Å; L104-L166 HydrophobicContact CG-CD1 3.95Å; F117-L166 HydrophobicContact CD2-CB 4.04Å; F117-L166 HydrophobicContact CD2-CD1 4.2Å; F117-L166 HydrophobicContact CD2-CD2 4.14Å; F117-L166 HydrophobicContact CD2-CG 4.35Å; F117-L166 HydrophobicContact CE2-CB 4.16Å; F117-L166 HydrophobicContact CE2-CD2 3.94Å; F117-L166 HydrophobicContact CG-CD1 4.4Å; F117-L166 HydrophobicContact CZ-CD2 4.24Å; L166-I169 PolarHBondContact O-N 3.43Å; L166-L170 VanDerWaalsContact O-CG 3.32Å; L166-L170 WeakPolarHBondContact O-CG 3.17Å; L166-L170 PolarHBondContact O-N 3.09Å
167	E	98.4	Very high	97.9	Very high	65 Å²	65	71.2 Å²	71.2	30%	0.304	38%	0.375	S	S	.	.	H	α-helix	trans	-64	-44.7	172.4	-174.4	56.1	-140.7	0	0	111.6	F96 S165 I169 L170 V171 R174	F96-E167 HydrophobicContact CB-CB 3.96Å; F96-E167 PolarHBondContact O-N 3.44Å; S165-E167 PolarHBondContact O-N 2.97Å; E167-I169 VanDerWaalsContact C-N 3.31Å; E167-I169 PolarHBondContact O-N 3.02Å; E167-L170 WeakPolarHBondContact O-CB 3.18Å; E167-L170 PolarHBondContact O-N 2.93Å; E167-L170 VanDerWaalsContact O-N 3.09Å; E167-V171 WeakPolarHBondContact O-CG2 3.37Å; E167-V171 PolarHBondContact O-N 3.37Å; E167-R174 IonicContact OE1-NH1 2.74Å; E167-R174 PolarHBondContact OE1-NH1 2.76Å
168	Q	98.1	Very high	97.9	Very high	55 Å²	55	72.1 Å²	72.1	26%	0.257	38%	0.376	S	S	.	.	H	α-helix	trans	-63	-39.7	176	-175.1	59.5	49.5	0	0	111.1	G154 E164 S165 L170 V171 D172	G154-Q168 PolarHBondContact O-NE2 2.88Å; E164-Q168 HydrophobicContact CB-CB 4.02Å; E164-Q168 HydrophobicContact CB-CG 4.04Å; E164-Q168 HydrophobicContact CG-CG 4.25Å; S165-Q168 PolarHBondContact O-N 3.13Å; S165-Q168 PolarHBondContact OG-N 2.8Å; Q168-L170 VanDerWaalsContact C-N 3.27Å; Q168-L170 PolarHBondContact O-N 3.35Å; Q168-V171 CarbonylContact O-C 3.59Å; Q168-V171 WeakPolarHBondContact O-CA 3.44Å; Q168-V171 VanDerWaalsContact O-CB 3.31Å; Q168-V171 WeakPolarHBondContact O-CB 2.94Å; Q168-V171 PolarHBondContact O-N 2.85Å; Q168-D172 PolarHBondContact NE2-OD1 3.35Å; Q168-D172 PolarHBondContact O-N 3.16Å
169	I	98.6	Very high	98	Very high	60 Å²	60	67 Å²	67	31%	0.308	35%	0.351	S	S	.	.	H	α-helix	trans	-59.5	-37.6	173.3	-59	-56.6	0	0	0	111.9	F117 E164 S165 L166 E167 D172 C173	F117-I169 HydrophobicContact CE2-CG2 4.23Å; F117-I169 HydrophobicContact CZ-CG2 3.87Å; E164-I169 HydrophobicContact CB-CD1 4.42Å; S165-I169 WeakPolarHBondContact O-CG1 3.4Å; S165-I169 PolarHBondContact O-N 2.79Å; S165-I169 VanDerWaalsContact O-N 3.08Å; L166-I169 PolarHBondContact O-N 3.43Å; E167-I169 VanDerWaalsContact C-N 3.31Å; E167-I169 PolarHBondContact O-N 3.02Å; I169-D172 PolarHBondContact O-N 3.37Å; I169-C173 PolarHBondContact O-N 3.4Å; I169-C173 PolarHBondContact O-SG 2.88Å
170	L	98.5	Very high	98	Very high	1 Å²	1	60.2 Å²	60.2	1%	0.005	32%	0.322	C	S	.	.	H	α-helix	trans	-68.5	-36	174.5	-66	172.4	0	0	0	111.8	F96 F117 E120 V121 I124 L166 E167 Q168 C173 R174	F96-L170 HydrophobicContact CD2-CD1 3.84Å; F96-L170 HydrophobicContact CE2-CD1 4.31Å; F96-L170 HydrophobicContact CG-CD1 4.24Å; F117-L170 HydrophobicContact CD2-CD2 4.02Å; F117-L170 HydrophobicContact CD2-CG 4.25Å; F117-L170 HydrophobicContact CE2-CD2 3.71Å; F117-L170 HydrophobicContact CE2-CG 3.94Å; E120-L170 HydrophobicContact CB-CD1 4.01Å; E120-L170 HydrophobicContact CB-CD2 4.02Å; E120-L170 HydrophobicContact CG-CD1 4.5Å; V121-L170 HydrophobicContact CG2-CD2 3.58Å; I124-L170 HydrophobicContact CD1-CB 4.22Å; I124-L170 HydrophobicContact CD1-CD2 3.89Å; L166-L170 VanDerWaalsContact O-CG 3.32Å; L166-L170 WeakPolarHBondContact O-CG 3.17Å; L166-L170 PolarHBondContact O-N 3.09Å; E167-L170 WeakPolarHBondContact O-CB 3.18Å; E167-L170 PolarHBondContact O-N 2.93Å; E167-L170 VanDerWaalsContact O-N 3.09Å; Q168-L170 VanDerWaalsContact C-N 3.27Å; Q168-L170 PolarHBondContact O-N 3.35Å; L170-C173 PolarHBondContact O-N 2.93Å; L170-R174 WeakPolarHBondContact O-CG 3.49Å; L170-R174 PolarHBondContact O-N 2.85Å; L170-R174 VanDerWaalsContact O-N 3.15Å
171	V	97.8	Very high	98.1	Very high	36 Å²	36	58.4 Å²	58.4	22%	0.218	31%	0.308	C	S	.	.	H	α-helix	trans	-60.4	-50.8	171.2	172.3	0	0	0	0	110.1	E167 Q168 C173 R174 D175	E167-V171 WeakPolarHBondContact O-CG2 3.37Å; E167-V171 PolarHBondContact O-N 3.37Å; Q168-V171 CarbonylContact O-C 3.59Å; Q168-V171 WeakPolarHBondContact O-CA 3.44Å; Q168-V171 VanDerWaalsContact O-CB 3.31Å; Q168-V171 WeakPolarHBondContact O-CB 2.94Å; Q168-V171 PolarHBondContact O-N 2.85Å; V171-C173 VanDerWaalsContact C-N 3.26Å; V171-C173 PolarHBondContact O-N 3.28Å; V171-R174 WeakPolarHBondContact O-CA 3.48Å; V171-R174 WeakPolarHBondContact O-CB 3.41Å; V171-R174 PolarHBondContact O-N 2.73Å; V171-D175 PolarHBondContact O-N 3.16Å
172	D	98.1	Very high	98.1	Very high	26 Å²	26	51.9 Å²	51.9	14%	0.139	27%	0.27	C	S	.	.	H	α-helix	trans	-60.9	-36.8	-179.8	-57	-27.5	0	0	0	112	F155 Q168 I169 D175 T176	F155-D172 HydrophobicContact CD2-CB 4.35Å; F155-D172 HydrophobicContact CE2-CB 4.2Å; Q168-D172 PolarHBondContact NE2-OD1 3.35Å; Q168-D172 PolarHBondContact O-N 3.16Å; I169-D172 PolarHBondContact O-N 3.37Å; D172-D175 PolarHBondContact O-N 3.03Å; D172-T176 WeakPolarHBondContact O-CB 3.11Å; D172-T176 PolarHBondContact O-N 3.43Å; D172-T176 PolarHBondContact O-OG1 2.87Å
173	C	98.4	Very high	98.2	Very high	43 Å²	43	48.4 Å²	48.4	29%	0.291	26%	0.259	S	S	.	.	H	α-helix	trans	-61.7	-42.6	173.3	-73.1	0	0	0	0	112.2	I124 I169 L170 V171 L177	I124-C173 HydrophobicContact CD1-CB 4.38Å; I169-C173 PolarHBondContact O-N 3.4Å; I169-C173 PolarHBondContact O-SG 2.88Å; L170-C173 PolarHBondContact O-N 2.93Å; V171-C173 VanDerWaalsContact C-N 3.26Å; V171-C173 PolarHBondContact O-N 3.28Å; C173-L177 PolarHBondContact O-N 3.38Å
174	R	98.3	Very high	98.2	Very high	96 Å²	96	45.3 Å²	45.3	36%	0.362	24%	0.24	S	C	.	.	H	α-helix	trans	-66.8	-45.4	178.3	-69	169.5	-169.8	120.2	-2.9	110.6	I124 E167 L170 V171 L177 K178	I124-R174 HydrophobicContact CB-CG 4.49Å; I124-R174 HydrophobicContact CD1-CG 3.8Å; I124-R174 HydrophobicContact CG1-CG 3.79Å; I124-R174 HydrophobicContact CG2-CG 3.84Å; E167-R174 IonicContact OE1-NH1 2.74Å; E167-R174 PolarHBondContact OE1-NH1 2.76Å; L170-R174 WeakPolarHBondContact O-CG 3.49Å; L170-R174 PolarHBondContact O-N 2.85Å; L170-R174 VanDerWaalsContact O-N 3.15Å; V171-R174 WeakPolarHBondContact O-CA 3.48Å; V171-R174 WeakPolarHBondContact O-CB 3.41Å; V171-R174 PolarHBondContact O-N 2.73Å; R174-L177 PolarHBondContact O-N 3.35Å; R174-K178 WeakPolarHBondContact O-CB 3.03Å; R174-K178 PolarHBondContact O-N 3.37Å
175	D	97.5	Very high	98.2	Very high	19 Å²	19	41.8 Å²	41.8	10%	0.102	22%	0.223	C	C	.	.	H	α-helix	trans	-73.2	-36.7	-176.2	-75.9	-32.4	0	0	0	112.7	F155 V171 D172 L177 K178 Y179	F155-D175 HydrophobicContact CB-CB 3.99Å; F155-D175 HydrophobicContact CD1-CB 4.18Å; F155-D175 HydrophobicContact CD2-CB 3.76Å; F155-D175 HydrophobicContact CE2-CB 4.25Å; F155-D175 HydrophobicContact CG-CB 3.72Å; V171-D175 PolarHBondContact O-N 3.16Å; D172-D175 PolarHBondContact O-N 3.03Å; D175-L177 VanDerWaalsContact C-N 3.26Å; D175-L177 PolarHBondContact O-N 2.87Å; D175-K178 WeakPolarHBondContact O-CB 3.36Å; D175-K178 PolarHBondContact O-N 3.34Å; D175-K178 VanDerWaalsContact O-N 3.08Å; D175-K178 WeakPolarHBondContact OD1-CD 3.24Å; D175-K178 IonicContact OD1-NZ 3.18Å; D175-Y179 HydrophobicContact CB-CD2 4.18Å; D175-Y179 HydrophobicContact CB-CE2 3.94Å; D175-Y179 WeakPolarHBondContact O-CD2 3.44Å; D175-Y179 PolarHBondContact O-N 3.07Å
176	T	98.2	Very high	98.2	Very high	83 Å²	83	40.7 Å²	40.7	51%	0.509	22%	0.215	S	C	.	.	H	α-helix	trans	-54.1	-44.7	169.9	-64.1	0	0	0	0	111.4	D172 G180	D172-T176 WeakPolarHBondContact O-CB 3.11Å; D172-T176 PolarHBondContact O-N 3.43Å; D172-T176 PolarHBondContact O-OG1 2.87Å; T176-G180 PolarHBondContact O-N 3.41Å; T176-G180 VanDerWaalsContact O-N 3.1Å
177	L	98.3	Very high	98.2	Very high	43 Å²	43	42.4 Å²	42.4	23%	0.225	22%	0.221	C	C	.	.	H	α-helix	trans	-75	-30	177.8	-73	173.6	0	0	0	113.4	I124 L125 Y128 C173 R174 D175	I124-L177 HydrophobicContact CG2-CD1 3.96Å; L125-L177 HydrophobicContact CD2-CD1 3.98Å; Y128-L177 HydrophobicContact CD1-CD2 4.28Å; Y128-L177 HydrophobicContact CD2-CB 3.71Å; Y128-L177 HydrophobicContact CD2-CD1 4.26Å; Y128-L177 HydrophobicContact CD2-CD2 3.99Å; Y128-L177 HydrophobicContact CD2-CG 4.21Å; Y128-L177 HydrophobicContact CE1-CD2 4.29Å; Y128-L177 HydrophobicContact CE2-CB 3.98Å; Y128-L177 HydrophobicContact CE2-CD2 3.99Å; Y128-L177 VanDerWaalsContact CE2-O 3.32Å; Y128-L177 WeakPolarHBondContact CE2-O 3.34Å; Y128-L177 HydrophobicContact CG-CB 4.42Å; Y128-L177 HydrophobicContact CG-CD1 4.16Å; Y128-L177 HydrophobicContact CG-CD2 4.12Å; Y128-L177 HydrophobicContact CG-CG 4.49Å; C173-L177 PolarHBondContact O-N 3.38Å; R174-L177 PolarHBondContact O-N 3.35Å; D175-L177 VanDerWaalsContact C-N 3.26Å; D175-L177 PolarHBondContact O-N 2.87Å
178	K	96.8	Very high	98.3	Very high	107 Å²	107	39.7 Å²	39.7	47%	0.465	21%	0.208	S	C	.	.	H	α-helix	trans	-65.8	-43.2	177.5	-178.2	-174.7	176.1	-167.7	0	111.5	R174 D175	R174-K178 WeakPolarHBondContact O-CB 3.03Å; R174-K178 PolarHBondContact O-N 3.37Å; D175-K178 WeakPolarHBondContact O-CB 3.36Å; D175-K178 PolarHBondContact O-N 3.34Å; D175-K178 VanDerWaalsContact O-N 3.08Å; D175-K178 WeakPolarHBondContact OD1-CD 3.24Å; D175-K178 IonicContact OD1-NZ 3.18Å
179	Y	97.1	Very high	98.3	Very high	32 Å²	32	37.1 Å²	37.1	13%	0.125	20%	0.196	C	C	.	.	H	α-helix	trans	-93	-7.3	-177.5	-57.5	-58.1	0	0	0	113.7	H143 L148 M152 F155 D175	H143-Y179 AromaticContact CD2-CD1 3.76Å; H143-Y179 AromaticContact NE2-CD1 3.86Å; H143-Y179 AromaticContact NE2-CE1 3.83Å; L148-Y179 HydrophobicContact CD2-CG 4.22Å; M152-Y179 HydrophobicContact CB-CE2 3.96Å; M152-Y179 HydrophobicContact CE-CD1 4.49Å; M152-Y179 HydrophobicContact CE-CE1 3.55Å; M152-Y179 VanDerWaalsContact CE-OH 3.32Å; M152-Y179 WeakPolarHBondContact CE-OH 3.4Å; M152-Y179 HydrophobicContact CG-CD2 4.47Å; M152-Y179 HydrophobicContact CG-CE1 4.43Å; M152-Y179 HydrophobicContact CG-CE2 3.93Å; F155-Y179 HydrophobicContact CD1-CD2 4.12Å; F155-Y179 HydrophobicContact CD1-CE2 4.25Å; F155-Y179 HydrophobicContact CE1-CD2 4.27Å; D175-Y179 HydrophobicContact CB-CD2 4.18Å; D175-Y179 HydrophobicContact CB-CE2 3.94Å; D175-Y179 WeakPolarHBondContact O-CD2 3.44Å; D175-Y179 PolarHBondContact O-N 3.07Å
180	G	97.8	Very high	98.3	Very high	29 Å²	29	35.2 Å²	35.2	30%	0.299	19%	0.187	S	C	.	.	S	Bend	trans	-76.2	156.2	172.4	0	0	0	0	0	114.2	T176	T176-G180 PolarHBondContact O-N 3.41Å; T176-G180 VanDerWaalsContact O-N 3.1Å
181	V	98.6	Very high	98.3	Very high	50 Å²	50	39.8 Å²	39.8	30%	0.303	21%	0.208	S	C	.	.			trans	-73.5	132	173	-177.6	0	0	0	0	110.5	Y128 V139 L140 T183 F188 M554	Y128-V181 PolarHBondContact OH-O 2.87Å; V139-V181 HydrophobicContact CG1-CG1 4.33Å; L140-V181 HydrophobicContact CB-CG2 4.37Å; L140-V181 HydrophobicContact CD1-CG2 3.74Å; L140-V181 HydrophobicContact CD2-CG2 4.04Å; L140-V181 HydrophobicContact CG-CG2 4.25Å; V181-T183 VanDerWaalsContact C-N 3.34Å; V181-T183 HydrophobicContact CG1-CG2 4.28Å; V181-T183 PolarHBondContact O-N 2.97Å; V181-F188 HydrophobicContact CG1-CD2 3.93Å; V181-F188 HydrophobicContact CG1-CE2 3.67Å; V181-F188 HydrophobicContact CG1-CZ 4.42Å; V181-M554 HydrophobicContact CG1-SD 3.93Å
182	R	98.8	Very high	98.3	Very high	29 Å²	29	38.8 Å²	38.8	11%	0.109	20%	0.202	C	C	.	.			trans	-77.5	79	170.5	-61.7	-171.9	-178.2	-78.2	-12.8	111.4	Y128 K138 V139 G184 H185	Y128-R182 HydrophobicContact CE2-CG 4.17Å; Y128-R182 PolarHBondContact O-NH1 3.11Å; Y128-R182 WeakPolarHBondContact OH-CA 3.31Å; K138-R182 VanDerWaalsContact O-CD 3.29Å; K138-R182 WeakPolarHBondContact O-CD 3.29Å; V139-R182 PolarHBondContact O-N 2.78Å; R182-G184 PolarHBondContact O-N 2.91Å; R182-G184 VanDerWaalsContact O-N 3.14Å; R182-H185 HydrophobicContact CB-CB 3.92Å; R182-H185 WeakPolarHBondContact O-CB 3.36Å; R182-H185 PolarHBondContact O-N 3.33Å
183	T	98.8	Very high	98.4	Very high	72 Å²	72	38.8 Å²	38.8	44%	0.442	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-19.9	180	56.3	0	0	0	0	114.1	V181 F188 G195	V181-T183 VanDerWaalsContact C-N 3.34Å; V181-T183 HydrophobicContact CG1-CG2 4.28Å; V181-T183 PolarHBondContact O-N 2.97Å; T183-F188 HydrophobicContact CG2-CE1 4.01Å; T183-F188 HydrophobicContact CG2-CZ 4.04Å; T183-F188 VanDerWaalsContact O-CD1 3.28Å; T183-F188 WeakPolarHBondContact O-CD1 3.19Å; T183-G195 PolarHBondContact O-N 3.06Å
184	G	98.7	Very high	98.4	Very high	2 Å²	2	37.1 Å²	37.1	2%	0.021	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.7	-10.3	172.6	0	0	0	0	0	115.3	T132 R182 N573	T132-G184 VanDerWaalsContact CG2-C 3.47Å; R182-G184 PolarHBondContact O-N 2.91Å; R182-G184 VanDerWaalsContact O-N 3.14Å; G184-N573 PolarHBondContact O-ND2 3.32Å
185	H	98.9	Very high	98.4	Very high	1 Å²	1	33.4 Å²	33.4	1%	0.005	18%	0.183	C	C	.	.	S	Bend	trans	-62.6	139.1	-173.9	-170	-92.9	0	0	0	111.7	T132 D134 T137 V139 R182 R187 F188 N573	T132-H185 WeakPolarHBondContact O-CA 3.5Å; D134-H185 PolarHBondContact O-NE2 2.68Å; T137-H185 PolarHBondContact O-NE2 3.06Å; V139-H185 HydrophobicContact CG2-CB 4.29Å; V139-H185 WeakPolarHBondContact CG2-ND1 3.45Å; R182-H185 HydrophobicContact CB-CB 3.92Å; R182-H185 WeakPolarHBondContact O-CB 3.36Å; R182-H185 PolarHBondContact O-N 3.33Å; H185-R187 PolarHBondContact ND1-N 2.68Å; H185-R187 VanDerWaalsContact ND1-N 3.11Å; H185-R187 PolarHBondContact O-N 2.95Å; H185-F188 HydrophobicContact CB-CB 4.32Å; H185-F188 WeakPolarHBondContact O-CB 3.23Å; H185-F188 PolarHBondContact O-N 3.4Å; H185-N573 PolarHBondContact O-ND2 3.36Å
186	P	98.8	Very high	98.4	Very high	1 Å²	1	34.4 Å²	34.4	1%	0.006	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.7	-24.8	-178.6	-27.3	34.8	0	0	0	114.8	R135 F189 A575 D580	R135-P186 HydrophobicContact CG-CB 4.5Å; R135-P186 HydrophobicContact CG-CG 4.31Å; P186-F189 VanDerWaalsContact O-CE1 3.32Å; P186-F189 WeakPolarHBondContact O-CE1 3.33Å; P186-F189 WeakPolarHBondContact O-CZ 3.41Å; P186-A575 HydrophobicContact CB-CB 4.45Å; P186-A575 HydrophobicContact CG-CB 4.08Å; P186-D580 WeakPolarHBondContact CB-OD2 3.47Å
187	R	98.8	Very high	98.5	Very high	40 Å²	40	31.3 Å²	31.3	15%	0.151	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103	16	179.5	-56.7	171.9	-179.5	174	-8.9	113.9	V139 H185 F189 T553 M554 D580 F583	V139-R187 HydrophobicContact CG2-CB 4.42Å; H185-R187 PolarHBondContact ND1-N 2.68Å; H185-R187 VanDerWaalsContact ND1-N 3.11Å; H185-R187 PolarHBondContact O-N 2.95Å; R187-F189 HydrophobicContact CB-CE2 4.29Å; R187-T553 WeakPolarHBondContact O-CA 3.38Å; R187-T553 PolarHBondContact O-OG1 3.29Å; R187-M554 PolarHBondContact O-N 3.2Å; R187-M554 VanDerWaalsContact O-N 3.13Å; R187-D580 HydrophobicContact CG-CB 4.14Å; R187-D580 IonicContact NE-OD1 3.69Å; R187-D580 PolarHBondContact NE-OD1 3.01Å; R187-F583 HydrophobicContact CG-CD1 4.43Å
188	F	98.9	Very high	98.5	Very high	8 Å²	8	33 Å²	33	4%	0.035	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	108.4	170.5	179	-103.2	0	0	0	110	V139 V181 T183 H185 N190 Q191 T194 M554	V139-F188 HydrophobicContact CG1-CB 4.11Å; V139-F188 HydrophobicContact CG1-CD2 3.83Å; V139-F188 HydrophobicContact CG1-CG 4.44Å; V181-F188 HydrophobicContact CG1-CD2 3.93Å; V181-F188 HydrophobicContact CG1-CE2 3.67Å; V181-F188 HydrophobicContact CG1-CZ 4.42Å; T183-F188 HydrophobicContact CG2-CE1 4.01Å; T183-F188 HydrophobicContact CG2-CZ 4.04Å; T183-F188 VanDerWaalsContact O-CD1 3.28Å; T183-F188 WeakPolarHBondContact O-CD1 3.19Å; H185-F188 HydrophobicContact CB-CB 4.32Å; H185-F188 WeakPolarHBondContact O-CB 3.23Å; H185-F188 PolarHBondContact O-N 3.4Å; F188-N190 HydrophobicContact CD2-CB 4.2Å; F188-N190 HydrophobicContact CE2-CB 3.55Å; F188-N190 HydrophobicContact CZ-CB 3.79Å; F188-Q191 HydrophobicContact CE1-CB 4.24Å; F188-Q191 HydrophobicContact CE1-CG 4.27Å; F188-Q191 HydrophobicContact CZ-CB 4.33Å; F188-Q191 HydrophobicContact CZ-CG 3.86Å; F188-T194 HydrophobicContact CD1-CG2 3.6Å; F188-T194 HydrophobicContact CE1-CG2 3.77Å; F188-M554 HydrophobicContact CD2-CB 4.04Å; F188-M554 HydrophobicContact CD2-SD 4.03Å; F188-M554 HydrophobicContact CE2-CB 4.41Å; F188-M554 HydrophobicContact CE2-SD 4.01Å
189	F	98.8	Very high	98.6	Very high	1 Å²	1	30 Å²	30	0%	0.004	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	20.2	-176.9	-50.9	-64.4	0	0	0	113.1	P186 R187 M554 M569 V570 A576 D580 I581 L584	P186-F189 VanDerWaalsContact O-CE1 3.32Å; P186-F189 WeakPolarHBondContact O-CE1 3.33Å; P186-F189 WeakPolarHBondContact O-CZ 3.41Å; R187-F189 HydrophobicContact CB-CE2 4.29Å; F189-M554 CarbonylContact C-O 3.49Å; F189-M554 VanDerWaalsContact CA-O 3.27Å; F189-M554 WeakPolarHBondContact CA-O 3.34Å; F189-M554 WeakPolarHBondContact CB-O 3.48Å; F189-M554 PolarHBondContact N-O 2.92Å; F189-M569 HydrophobicContact CB-CE 3.77Å; F189-M569 HydrophobicContact CB-SD 3.27Å; F189-M569 WeakPolarHBondContact CB-SD 3.02Å; F189-M569 HydrophobicContact CD1-CE 3.36Å; F189-M569 HydrophobicContact CD1-SD 4.01Å; F189-M569 HydrophobicContact CD2-CE 4.22Å; F189-M569 HydrophobicContact CD2-SD 3.98Å; F189-M569 HydrophobicContact CE1-CE 3.87Å; F189-M569 HydrophobicContact CG-CE 3.53Å; F189-M569 HydrophobicContact CG-SD 3.51Å; F189-M569 VanDerWaalsContact CG-SD 3.51Å; F189-M569 HydrophobicContact CZ-CE 4.48Å; F189-V570 WeakPolarHBondContact O-CG2 3.4Å; F189-A576 HydrophobicContact CE1-CB 4.04Å; F189-D580 HydrophobicContact CZ-CB 4.14Å; F189-I581 HydrophobicContact CZ-CD1 4.28Å; F189-L584 HydrophobicContact CD2-CD1 4.24Å; F189-L584 HydrophobicContact CD2-CD2 4.02Å; F189-L584 HydrophobicContact CE2-CB 4.35Å; F189-L584 HydrophobicContact CE2-CD2 4.23Å
190	N	98.5	Very high	98.7	Very high	21 Å²	21	28.4 Å²	28.4	11%	0.112	16%	0.162	C	C	.	.	S	Bend	trans	-77.4	-28.8	-171.9	-165	83	0	0	0	113	F188 K544 M554 S556 R568	F188-N190 HydrophobicContact CD2-CB 4.2Å; F188-N190 HydrophobicContact CE2-CB 3.55Å; F188-N190 HydrophobicContact CZ-CB 3.79Å; N190-K544 PolarHBondContact OD1-NZ 3.16Å; N190-M554 HydrophobicContact CB-CB 4.07Å; N190-M554 PolarHBondContact N-O 2.97Å; N190-M554 VanDerWaalsContact N-O 3.08Å; N190-S556 WeakPolarHBondContact O-CB 3.28Å; N190-S556 PolarHBondContact O-OG 3.44Å; N190-R568 PolarHBondContact O-NH2 3.17Å
191	Q	98.4	Very high	98.7	Very high	97 Å²	97	28.5 Å²	28.5	45%	0.453	16%	0.155	S	C	.	.	S	Bend	trans	-125.6	161.4	-170.5	-59.3	-60.5	-8.3	0	0	111.5	F188 S193 T194 V570	F188-Q191 HydrophobicContact CE1-CB 4.24Å; F188-Q191 HydrophobicContact CE1-CG 4.27Å; F188-Q191 HydrophobicContact CZ-CB 4.33Å; F188-Q191 HydrophobicContact CZ-CG 3.86Å; Q191-S193 PolarHBondContact O-N 3.09Å; Q191-T194 WeakPolarHBondContact O-CG2 3.32Å; Q191-V570 WeakPolarHBondContact O-CG2 3.31Å
192	L	98.5	Very high	98.7	Very high	15 Å²	15	27.9 Å²	27.9	8%	0.079	16%	0.155	C	C	.	.	S	Bend	trans	-68.3	-26.3	172.3	-59.8	178.7	0	0	0	112.4	T349 W377 K406 V570 S572	L192-T349 HydrophobicContact CD1-CG2 4.19Å; L192-W377 HydrophobicContact CB-CD2 4.47Å; L192-W377 HydrophobicContact CB-CE3 4.21Å; L192-W377 HydrophobicContact CB-CH2 4.43Å; L192-W377 HydrophobicContact CB-CZ3 4.18Å; L192-W377 HydrophobicContact CD1-CB 4.39Å; L192-W377 HydrophobicContact CD1-CD2 4.27Å; L192-W377 HydrophobicContact CD1-CG 4.17Å; L192-W377 HydrophobicContact CD2-CD2 4.05Å; L192-W377 HydrophobicContact CD2-CG 4.47Å; L192-W377 HydrophobicContact CD2-CH2 4.28Å; L192-W377 HydrophobicContact CD2-CZ2 3.76Å; L192-W377 WeakPolarHBondContact O-CZ3 3.24Å; L192-K406 HydrophobicContact CB-CD 4.1Å; L192-K406 HydrophobicContact CB-CG 4.42Å; L192-K406 HydrophobicContact CD1-CD 4.11Å; L192-V570 HydrophobicContact CD2-CB 4.27Å; L192-V570 HydrophobicContact CD2-CG1 3.81Å; L192-V570 HydrophobicContact CD2-CG2 4.47Å; L192-S572 WeakPolarHBondContact O-CB 3.41Å; L192-S572 PolarHBondContact O-OG 2.93Å
193	S	98.7	Very high	98.7	Very high	26 Å²	26	26.5 Å²	26.5	18%	0.182	15%	0.15	C	C	.	.	S	Bend	trans	-102.5	113.5	176.2	-62.4	0	0	0	0	108.9	Q191 H405	Q191-S193 PolarHBondContact O-N 3.09Å; S193-H405 VanDerWaalsContact CB-O 3.27Å; S193-H405 WeakPolarHBondContact CB-O 3.42Å; S193-H405 PolarHBondContact OG-O 3.25Å
194	T	98.7	Very high	98.7	Very high	8 Å²	8	24.6 Å²	24.6	5%	0.049	14%	0.136	C	C	.	.			trans	-144.5	166.6	-177.4	65.6	0	0	0	0	109.4	F188 Q191 S572 N573	F188-T194 HydrophobicContact CD1-CG2 3.6Å; F188-T194 HydrophobicContact CE1-CG2 3.77Å; Q191-T194 WeakPolarHBondContact O-CG2 3.32Å; T194-S572 PolarHBondContact N-OG 3.25Å; T194-S572 PolarHBondContact OG1-OG 3.04Å; T194-N573 WeakPolarHBondContact OG1-CB 3.29Å; T194-N573 PolarHBondContact OG1-N 2.77Å
195	G	98.4	Very high	98.7	Very high	17 Å²	17	28.7 Å²	28.7	18%	0.175	15%	0.151	C	C	.	.			trans	87.6	167.2	-179.1	0	0	0	0	0	113	T183 N573	T183-G195 PolarHBondContact O-N 3.06Å; G195-N573 VanDerWaalsContact CA-CG 3.43Å; G195-N573 WeakPolarHBondContact CA-OD1 3.24Å
196	L	98.8	Very high	98.7	Very high	40 Å²	40	32.6 Å²	32.6	21%	0.209	17%	0.171	C	C	.	.			trans	-135	97.4	177.1	-179.6	63	0	0	0	108.3	V129 T132 F133 I198 L201	V129-L196 HydrophobicContact CG2-CD2 4.13Å; T132-L196 HydrophobicContact CG2-CD2 4.33Å; F133-L196 HydrophobicContact CZ-CB 4.21Å; L196-I198 PolarHBondContact O-N 3.47Å; L196-L201 HydrophobicContact CD1-CB 4.41Å; L196-L201 HydrophobicContact CD1-CD2 4.39Å
197	D	98.8	Very high	98.7	Very high	19 Å²	19	32.8 Å²	32.8	10%	0.102	17%	0.172	C	C	.	.			trans	-76.4	123.9	175.9	-169.3	-84.2	0	0	0	110.4	V199 G200 L201 M468 K472	D197-V199 VanDerWaalsContact C-N 3.33Å; D197-V199 PolarHBondContact O-N 2.74Å; D197-V199 WeakPolarHBondContact OD1-CA 3.43Å; D197-V199 WeakPolarHBondContact OD1-CB 3.23Å; D197-V199 PolarHBondContact OD1-N 2.91Å; D197-G200 PolarHBondContact O-N 3.2Å; D197-G200 PolarHBondContact OD1-N 2.96Å; D197-L201 WeakPolarHBondContact O-CB 3.27Å; D197-L201 PolarHBondContact O-N 3.18Å; D197-M468 HydrophobicContact CB-CE 3.82Å; D197-M468 HydrophobicContact CB-SD 4.22Å; D197-K472 WeakPolarHBondContact OD2-CE 3.46Å; D197-K472 IonicContact OD2-NZ 2.76Å; D197-K472 PolarHBondContact OD2-NZ 3.13Å
198	I	98.8	Very high	98.7	Very high	78 Å²	78	34.7 Å²	34.7	40%	0.4	19%	0.192	S	C	.	.	H	α-helix	trans	-68	-33.9	-175.4	-55.4	-54.9	0	0	0	112.1	V129 F133 L196 A202	V129-I198 HydrophobicContact CG1-CD1 3.9Å; F133-I198 HydrophobicContact CE2-CD1 4.05Å; F133-I198 HydrophobicContact CZ-CD1 4.2Å; L196-I198 PolarHBondContact O-N 3.47Å; I198-A202 WeakPolarHBondContact O-CB 3.42Å; I198-A202 PolarHBondContact O-N 3.05Å
199	V	98.9	Very high	98.7	Very high	43 Å²	43	40.2 Å²	40.2	26%	0.261	23%	0.227	S	C	.	.	H	α-helix	trans	-73.8	-38.8	176.3	-179.5	0	0	0	0	109.9	D197 A202 G203 L467 M468 A471	D197-V199 VanDerWaalsContact C-N 3.33Å; D197-V199 PolarHBondContact O-N 2.74Å; D197-V199 WeakPolarHBondContact OD1-CA 3.43Å; D197-V199 WeakPolarHBondContact OD1-CB 3.23Å; D197-V199 PolarHBondContact OD1-N 2.91Å; V199-A202 PolarHBondContact O-N 3.05Å; V199-G203 PolarHBondContact O-N 3.29Å; V199-L467 HydrophobicContact CG1-CB 4.23Å; V199-L467 HydrophobicContact CG1-CD2 3.92Å; V199-L467 HydrophobicContact CG1-CG 3.6Å; V199-M468 HydrophobicContact CB-CG 4.12Å; V199-M468 HydrophobicContact CG1-CG 4.14Å; V199-A471 HydrophobicContact CB-CB 4.39Å; V199-A471 HydrophobicContact CG1-CB 3.9Å; V199-A471 HydrophobicContact CG2-CB 3.88Å
200	G	98.8	Very high	98.7	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-57.7	-47.3	170.9	0	0	0	0	0	112.3	D197 G203 E204 M468	D197-G200 PolarHBondContact O-N 3.2Å; D197-G200 PolarHBondContact OD1-N 2.96Å; G200-G203 WeakPolarHBondContact O-CA 3.31Å; G200-G203 PolarHBondContact O-N 2.9Å; G200-G203 VanDerWaalsContact O-N 3.14Å; G200-E204 PolarHBondContact O-N 3.03Å; G200-M468 WeakPolarHBondContact CA-SD 3.48Å
201	L	98.9	Very high	98.7	Very high	31 Å²	31	48.4 Å²	48.4	16%	0.162	28%	0.277	C	S	.	.	H	α-helix	trans	-61.1	-46	177.3	179.5	63.2	0	0	0	112	V129 L196 D197 G203 E204 W205	V129-L201 HydrophobicContact CG2-CD2 3.87Å; L196-L201 HydrophobicContact CD1-CB 4.41Å; L196-L201 HydrophobicContact CD1-CD2 4.39Å; D197-L201 WeakPolarHBondContact O-CB 3.27Å; D197-L201 PolarHBondContact O-N 3.18Å; L201-G203 PolarHBondContact O-N 3.38Å; L201-E204 PolarHBondContact O-N 3.06Å; L201-W205 HydrophobicContact CD1-CZ2 4.1Å; L201-W205 HydrophobicContact CD2-CH2 4.06Å; L201-W205 HydrophobicContact CD2-CZ2 3.75Å; L201-W205 HydrophobicContact CG-CD2 4.33Å; L201-W205 HydrophobicContact CG-CH2 4.32Å; L201-W205 HydrophobicContact CG-CZ2 3.82Å; L201-W205 PolarHBondContact O-N 3.2Å
202	A	98.9	Very high	98.8	Very high	36 Å²	36	45.6 Å²	45.6	30%	0.298	27%	0.267	S	S	.	.	H	α-helix	trans	-62	-35.5	174.5	0	0	0	0	0	112	I198 V199 W205 L206	I198-A202 WeakPolarHBondContact O-CB 3.42Å; I198-A202 PolarHBondContact O-N 3.05Å; V199-A202 PolarHBondContact O-N 3.05Å; A202-W205 PolarHBondContact O-N 3.01Å; A202-L206 PolarHBondContact O-N 3.48Å; A202-L206 VanDerWaalsContact O-N 3.09Å
203	G	98.9	Very high	98.8	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-60	-47.9	171.8	0	0	0	0	0	112.6	V199 G200 L201 L206 T207 F463	V199-G203 PolarHBondContact O-N 3.29Å; G200-G203 WeakPolarHBondContact O-CA 3.31Å; G200-G203 PolarHBondContact O-N 2.9Å; G200-G203 VanDerWaalsContact O-N 3.14Å; L201-G203 PolarHBondContact O-N 3.38Å; G203-L206 PolarHBondContact O-N 3.05Å; G203-T207 WeakPolarHBondContact O-CB 3.48Å; G203-T207 PolarHBondContact O-N 2.95Å; G203-T207 PolarHBondContact O-OG1 3.07Å; G203-T207 VanDerWaalsContact O-OG1 3.11Å; G203-F463 WeakPolarHBondContact O-CD1 3.44Å
204	E	98.8	Very high	98.8	Very high	33 Å²	33	45.4 Å²	45.4	15%	0.154	26%	0.264	C	S	.	.	H	α-helix	trans	-61.2	-44.3	176.2	-68.5	-81.8	-157.8	0	0	111.9	G200 L201 L206 T207 S208 P411 K464	G200-E204 PolarHBondContact O-N 3.03Å; L201-E204 PolarHBondContact O-N 3.06Å; E204-L206 VanDerWaalsContact C-N 3.34Å; E204-L206 PolarHBondContact O-N 3.42Å; E204-T207 PolarHBondContact O-N 3.25Å; E204-S208 PolarHBondContact O-N 2.91Å; E204-S208 PolarHBondContact O-OG 2.84Å; E204-P411 HydrophobicContact CG-CB 3.8Å; E204-P411 HydrophobicContact CG-CG 4.13Å; E204-P411 WeakPolarHBondContact OE1-CB 3.31Å; E204-K464 VanDerWaalsContact CD-NZ 3.26Å; E204-K464 HydrophobicContact CG-CB 4.47Å; E204-K464 HydrophobicContact CG-CD 3.74Å; E204-K464 WeakPolarHBondContact OE1-CD 3.43Å; E204-K464 WeakPolarHBondContact OE1-CE 3.37Å; E204-K464 IonicContact OE1-NZ 3.29Å; E204-K464 PolarHBondContact OE1-NZ 3.04Å; E204-K464 IonicContact OE2-NZ 3.2Å; E204-K464 PolarHBondContact OE2-NZ 3.01Å
205	W	98.8	Very high	98.7	Very high	88 Å²	88	46.9 Å²	46.9	33%	0.333	27%	0.27	S	S	.	.	H	α-helix	trans	-60	-42.7	177.5	-67.7	-14.8	0	0	0	112.5	M122 L125 L201 A202 T209	M122-W205 HydrophobicContact CE-CD2 4.39Å; M122-W205 HydrophobicContact CE-CE3 3.85Å; M122-W205 HydrophobicContact CE-CH2 3.4Å; M122-W205 HydrophobicContact CE-CZ2 3.97Å; M122-W205 HydrophobicContact CE-CZ3 3.35Å; M122-W205 HydrophobicContact SD-CH2 4.35Å; M122-W205 HydrophobicContact SD-CZ2 4.36Å; M122-W205 HydrophobicContact SD-CZ3 4.48Å; L125-W205 HydrophobicContact CB-CZ2 4.37Å; L125-W205 HydrophobicContact CD1-CZ2 4.09Å; L201-W205 HydrophobicContact CD1-CZ2 4.1Å; L201-W205 HydrophobicContact CD2-CH2 4.06Å; L201-W205 HydrophobicContact CD2-CZ2 3.75Å; L201-W205 HydrophobicContact CG-CD2 4.33Å; L201-W205 HydrophobicContact CG-CH2 4.32Å; L201-W205 HydrophobicContact CG-CZ2 3.82Å; L201-W205 PolarHBondContact O-N 3.2Å; A202-W205 PolarHBondContact O-N 3.01Å; W205-T209 WeakPolarHBondContact O-CB 3.37Å; W205-T209 PolarHBondContact O-N 2.84Å; W205-T209 PolarHBondContact O-OG1 3.25Å
206	L	98.9	Very high	98.7	Very high	82 Å²	82	46.2 Å²	46.2	43%	0.429	26%	0.262	S	S	.	.	H	α-helix	trans	-67.4	-43.5	175.5	-172.3	154.4	0	0	0	111.4	A202 G203 E204 S208 T209 A210 F463	A202-L206 PolarHBondContact O-N 3.48Å; A202-L206 VanDerWaalsContact O-N 3.09Å; G203-L206 PolarHBondContact O-N 3.05Å; E204-L206 VanDerWaalsContact C-N 3.34Å; E204-L206 PolarHBondContact O-N 3.42Å; L206-S208 VanDerWaalsContact C-N 3.34Å; L206-S208 PolarHBondContact O-N 3.04Å; L206-T209 WeakPolarHBondContact O-CB 3.44Å; L206-T209 PolarHBondContact O-N 2.88Å; L206-T209 VanDerWaalsContact O-N 3.15Å; L206-A210 PolarHBondContact O-N 3.04Å; L206-F463 HydrophobicContact CB-CD1 4.29Å; L206-F463 HydrophobicContact CB-CE1 3.73Å; L206-F463 HydrophobicContact CD1-CE1 3.7Å; L206-F463 HydrophobicContact CD1-CZ 3.65Å; L206-F463 HydrophobicContact CD2-CD1 3.85Å; L206-F463 HydrophobicContact CD2-CE1 3.51Å; L206-F463 HydrophobicContact CD2-CE2 4.32Å; L206-F463 HydrophobicContact CD2-CG 4.4Å; L206-F463 HydrophobicContact CD2-CZ 3.77Å; L206-F463 HydrophobicContact CG-CD1 4.5Å; L206-F463 HydrophobicContact CG-CE1 3.82Å; L206-F463 HydrophobicContact CG-CZ 4.18Å
207	T	98.8	Very high	98.7	Very high	5 Å²	5	47.9 Å²	47.9	3%	0.031	27%	0.266	C	S	.	.	H	α-helix	trans	-55.8	-48.8	175.9	-69.8	0	0	0	0	111.4	G203 E204 T209 A210 N211 V460	G203-T207 WeakPolarHBondContact O-CB 3.48Å; G203-T207 PolarHBondContact O-N 2.95Å; G203-T207 PolarHBondContact O-OG1 3.07Å; G203-T207 VanDerWaalsContact O-OG1 3.11Å; E204-T207 PolarHBondContact O-N 3.25Å; T207-T209 VanDerWaalsContact C-N 3.29Å; T207-T209 PolarHBondContact O-N 3.01Å; T207-A210 PolarHBondContact O-N 3.41Å; T207-A210 VanDerWaalsContact O-N 3.14Å; T207-N211 PolarHBondContact O-N 2.89Å; T207-V460 HydrophobicContact CG2-CB 3.85Å; T207-V460 HydrophobicContact CG2-CG1 4.41Å; T207-V460 WeakPolarHBondContact CG2-O 3.37Å
208	S	98.8	Very high	98.7	Very high	81 Å²	81	52.4 Å²	52.4	57%	0.566	29%	0.286	S	S	*	.	H	α-helix	trans	-65.4	-32.7	178.3	-62.6	0	0	0	0	112.6	E204 L206 A210	E204-S208 PolarHBondContact O-N 2.91Å; E204-S208 PolarHBondContact O-OG 2.84Å; L206-S208 VanDerWaalsContact C-N 3.34Å; L206-S208 PolarHBondContact O-N 3.04Å; S208-A210 VanDerWaalsContact C-N 3.35Å
209	T	98.8	Very high	98.7	Very high	124 Å²	124	52 Å²	52	76%	0.761	29%	0.285	S	S	*	.	H	α-helix	trans	-67.1	-37.2	173.2	-55.6	0	0	0	0	111.4	W205 L206 T207	W205-T209 WeakPolarHBondContact O-CB 3.37Å; W205-T209 PolarHBondContact O-N 2.84Å; W205-T209 PolarHBondContact O-OG1 3.25Å; L206-T209 WeakPolarHBondContact O-CB 3.44Å; L206-T209 PolarHBondContact O-N 2.88Å; L206-T209 VanDerWaalsContact O-N 3.15Å; T207-T209 VanDerWaalsContact C-N 3.29Å; T207-T209 PolarHBondContact O-N 3.01Å
210	A	98.8	Very high	98.7	Very high	48 Å²	48	50.1 Å²	50.1	40%	0.397	27%	0.273	S	S	.	.	H	α-helix	trans	-74.7	-31.1	178.9	0	0	0	0	0	113.3	L206 T207 S208 T212 F223	L206-A210 PolarHBondContact O-N 3.04Å; T207-A210 PolarHBondContact O-N 3.41Å; T207-A210 VanDerWaalsContact O-N 3.14Å; S208-A210 VanDerWaalsContact C-N 3.35Å; A210-T212 VanDerWaalsContact C-N 3.32Å; A210-T212 PolarHBondContact O-N 3.34Å; A210-T212 VanDerWaalsContact O-N 3.1Å; A210-F223 HydrophobicContact CB-CE2 4.11Å; A210-F223 HydrophobicContact CB-CZ 3.99Å
211	N	98.8	Very high	98.6	Very high	146 Å²	146	52.4 Å²	52.4	78%	0.781	29%	0.288	S	S	*	.			trans	39	52.5	173.4	-166.6	29.5	0	0	0	114.9	T207	T207-N211 PolarHBondContact O-N 2.89Å
212	T	98.7	Very high	98.6	Very high	38 Å²	38	54.9 Å²	54.9	23%	0.233	30%	0.304	C	S	.	.			trans	-115.5	178.5	178.9	-166.9	0	0	0	0	112.1	A210 I219 A220 F223 V460	A210-T212 VanDerWaalsContact C-N 3.32Å; A210-T212 PolarHBondContact O-N 3.34Å; A210-T212 VanDerWaalsContact O-N 3.1Å; T212-I219 PolarHBondContact OG1-O 3.36Å; T212-A220 HydrophobicContact CG2-CB 3.95Å; T212-F223 HydrophobicContact CG2-CD2 3.65Å; T212-F223 HydrophobicContact CG2-CE2 3.57Å; T212-V460 HydrophobicContact CG2-CG2 3.99Å
213	N	98.8	Very high	98.6	Very high	37 Å²	37	54.2 Å²	54.2	20%	0.198	30%	0.295	C	S	.	.			trans	-117.1	145.2	-177.1	-148.7	-69.1	0	0	0	112.9	F215 I219 A220 G457 R458	N213-F215 VanDerWaalsContact C-N 3.34Å; N213-F215 HydrophobicContact CB-CD1 3.7Å; N213-F215 HydrophobicContact CB-CE1 3.5Å; N213-F215 HydrophobicContact CB-CE2 4.45Å; N213-F215 HydrophobicContact CB-CG 4.26Å; N213-F215 HydrophobicContact CB-CZ 3.91Å; N213-F215 VanDerWaalsContact CG-CE1 3.42Å; N213-F215 PolarHBondContact O-N 3.45Å; N213-F215 WeakPolarHBondContact OD1-CD1 3.39Å; N213-F215 PolarHBondContact OD1-N 3.02Å; N213-I219 HydrophobicContact CB-CD1 3.73Å; N213-A220 WeakPolarHBondContact O-CB 3.37Å; N213-G457 VanDerWaalsContact ND2-CA 3.28Å; N213-G457 WeakPolarHBondContact ND2-CA 3.3Å; N213-G457 WeakPolarHBondContact OD1-CA 3.48Å; N213-R458 PolarHBondContact ND2-N 3.46Å; N213-R458 PolarHBondContact OD1-N 3.45Å; N213-R458 PolarHBondContact OD1-O 3.04Å
214	M	98.7	Very high	98.6	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84	4.5	-177.3	-72.1	-63.6	-69.7	0	0	115.6	T216 A220 F223 V224 E227 T449 R458 H459 V460 I462	M214-T216 PolarHBondContact O-N 2.89Å; M214-A220 HydrophobicContact SD-CB 4.46Å; M214-F223 HydrophobicContact CE-CB 4.24Å; M214-F223 HydrophobicContact SD-CB 3.49Å; M214-F223 WeakPolarHBondContact SD-CB 3.15Å; M214-V224 HydrophobicContact CE-CG2 4.48Å; M214-E227 HydrophobicContact CE-CB 3.83Å; M214-E227 HydrophobicContact CE-CG 4.32Å; M214-E227 WeakPolarHBondContact CE-OE2 3.33Å; M214-T449 PolarHBondContact O-OG1 3.48Å; M214-R458 HydrophobicContact CB-CB 4.14Å; M214-R458 HydrophobicContact CB-CG 4.24Å; M214-R458 VanDerWaalsContact CB-CZ 3.43Å; M214-R458 PolarHBondContact N-O 3.34Å; M214-H459 WeakPolarHBondContact CG-O 3.4Å; M214-V460 HydrophobicContact CG-CB 4.27Å; M214-V460 HydrophobicContact CG-CG2 3.82Å; M214-V460 HydrophobicContact SD-CB 4.28Å; M214-V460 HydrophobicContact SD-CG1 4.11Å; M214-V460 HydrophobicContact SD-CG2 3.84Å; M214-I462 HydrophobicContact CE-CG2 4.07Å; M214-I462 HydrophobicContact SD-CG2 4.38Å
215	F	97.1	Very high	98.6	Very high	39 Å²	39	55.7 Å²	55.7	17%	0.171	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-29	-173.2	51.7	-129.9	0	0	0	114.8	N213 I219 L436 T449 G450	N213-F215 VanDerWaalsContact C-N 3.34Å; N213-F215 HydrophobicContact CB-CD1 3.7Å; N213-F215 HydrophobicContact CB-CE1 3.5Å; N213-F215 HydrophobicContact CB-CE2 4.45Å; N213-F215 HydrophobicContact CB-CG 4.26Å; N213-F215 HydrophobicContact CB-CZ 3.91Å; N213-F215 VanDerWaalsContact CG-CE1 3.42Å; N213-F215 PolarHBondContact O-N 3.45Å; N213-F215 WeakPolarHBondContact OD1-CD1 3.39Å; N213-F215 PolarHBondContact OD1-N 3.02Å; F215-I219 HydrophobicContact CD2-CD1 4.19Å; F215-I219 HydrophobicContact CD2-CG1 4.38Å; F215-I219 HydrophobicContact CE1-CD1 4.26Å; F215-I219 HydrophobicContact CE2-CD1 3.27Å; F215-I219 HydrophobicContact CE2-CG1 3.7Å; F215-I219 HydrophobicContact CZ-CD1 3.3Å; F215-I219 HydrophobicContact CZ-CG1 4.25Å; F215-L436 HydrophobicContact CB-CD2 4.25Å; F215-L436 HydrophobicContact CD1-CD1 4.38Å; F215-L436 HydrophobicContact CD1-CD2 4.31Å; F215-L436 HydrophobicContact CD2-CD1 3.73Å; F215-L436 HydrophobicContact CD2-CG 4.43Å; F215-L436 HydrophobicContact CE1-CD1 4.33Å; F215-L436 HydrophobicContact CE2-CD1 3.68Å; F215-L436 HydrophobicContact CG-CD1 4.13Å; F215-L436 HydrophobicContact CG-CD2 4.15Å; F215-L436 HydrophobicContact CZ-CD1 4Å; F215-T449 PolarHBondContact O-N 3.02Å; F215-G450 WeakPolarHBondContact O-CA 3.42Å; F215-G450 PolarHBondContact O-N 2.96Å
216	T	98.6	Very high	98.7	Very high	3 Å²	3	52.6 Å²	52.6	2%	0.018	29%	0.293	C	S	.	.			trans	-143.4	147.8	-172.5	57.6	0	0	0	0	110	M214 E218 A220 L436 D448	M214-T216 PolarHBondContact O-N 2.89Å; T216-E218 PolarHBondContact O-N 3.29Å; T216-A220 PolarHBondContact O-N 3.43Å; T216-L436 HydrophobicContact CG2-CD1 4.28Å; T216-L436 HydrophobicContact CG2-CG 4.45Å; T216-D448 VanDerWaalsContact CA-OD1 3.26Å; T216-D448 WeakPolarHBondContact CA-OD1 3.34Å; T216-D448 WeakPolarHBondContact CB-OD1 3.32Å; T216-D448 HydrophobicContact CG2-CB 4.21Å
217	Y	98.6	Very high	98.7	Very high	75 Å²	75	48.9 Å²	48.9	29%	0.294	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-35.4	170.6	179.7	-95.2	0	0	0	112.1	I219 A220 P221 V224 L225 Y443 D448	Y217-I219 VanDerWaalsContact C-N 3.31Å; Y217-I219 PolarHBondContact O-N 3.17Å; Y217-A220 CarbonylContact O-C 3.58Å; Y217-A220 PolarHBondContact O-N 3Å; Y217-P221 HydrophobicContact CD1-CB 4.25Å; Y217-P221 HydrophobicContact CD2-CB 3.92Å; Y217-P221 HydrophobicContact CE1-CB 3.86Å; Y217-P221 HydrophobicContact CE2-CB 3.5Å; Y217-P221 HydrophobicContact CG-CB 4.27Å; Y217-P221 VanDerWaalsContact CZ-CB 3.46Å; Y217-P221 WeakPolarHBondContact O-CA 3.46Å; Y217-P221 WeakPolarHBondContact O-CB 3.21Å; Y217-P221 WeakPolarHBondContact O-CD 3.42Å; Y217-V224 HydrophobicContact CD2-CB 4.4Å; Y217-V224 HydrophobicContact CD2-CG1 4.28Å; Y217-L225 HydrophobicContact CE2-CD1 4.16Å; Y217-L225 HydrophobicContact CE2-CD2 4.44Å; Y217-L225 HydrophobicContact CE2-CG 4.1Å; Y217-Y443 HydrophobicContact CD1-CD1 4.49Å; Y217-Y443 AromaticContact CD1-CD2 3.85Å; Y217-Y443 HydrophobicContact CD1-CD2 3.85Å; Y217-Y443 AromaticContact CD1-CE2 3.99Å; Y217-Y443 HydrophobicContact CD1-CE2 3.99Å; Y217-Y443 HydrophobicContact CD1-CG 4.14Å; Y217-Y443 HydrophobicContact CG-CD2 4.39Å; Y217-Y443 HydrophobicContact CG-CE2 4.25Å; Y217-D448 PolarHBondContact N-OD1 3.03Å
218	E	98.4	Very high	98.6	Very high	113 Å²	113	53.2 Å²	53.2	53%	0.528	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.3	-45.1	-176.8	-165.1	171	132.1	0	0	114.5	T216 K441 Y443	T216-E218 PolarHBondContact O-N 3.29Å; E218-K441 IonicContact OE2-NZ 3.84Å; E218-Y443 HydrophobicContact CB-CE1 3.91Å; E218-Y443 WeakPolarHBondContact CB-OH 3.49Å; E218-Y443 HydrophobicContact CG-CE1 4.29Å; E218-Y443 PolarHBondContact N-OH 3.01Å
219	I	98.5	Very high	98.6	Very high	71 Å²	71	54.7 Å²	54.7	36%	0.364	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.9	-7	-176.1	67.6	160.8	0	0	0	113.9	T212 N213 F215 Y217	T212-I219 PolarHBondContact OG1-O 3.36Å; N213-I219 HydrophobicContact CB-CD1 3.73Å; F215-I219 HydrophobicContact CD2-CD1 4.19Å; F215-I219 HydrophobicContact CD2-CG1 4.38Å; F215-I219 HydrophobicContact CE1-CD1 4.26Å; F215-I219 HydrophobicContact CE2-CD1 3.27Å; F215-I219 HydrophobicContact CE2-CG1 3.7Å; F215-I219 HydrophobicContact CZ-CD1 3.3Å; F215-I219 HydrophobicContact CZ-CG1 4.25Å; Y217-I219 VanDerWaalsContact C-N 3.31Å; Y217-I219 PolarHBondContact O-N 3.17Å
220	A	98.6	Very high	98.7	Very high	2 Å²	2	49 Å²	49	2%	0.017	26%	0.26	C	S	.	.			trans	-138.9	46.6	179.7	0	0	0	0	0	113.3	T212 N213 M214 T216 Y217 V222 F223 V224	T212-A220 HydrophobicContact CG2-CB 3.95Å; N213-A220 WeakPolarHBondContact O-CB 3.37Å; M214-A220 HydrophobicContact SD-CB 4.46Å; T216-A220 PolarHBondContact O-N 3.43Å; Y217-A220 CarbonylContact O-C 3.58Å; Y217-A220 PolarHBondContact O-N 3Å; A220-V222 VanDerWaalsContact C-N 3.34Å; A220-V222 PolarHBondContact O-N 2.7Å; A220-F223 HydrophobicContact CB-CB 4.41Å; A220-F223 HydrophobicContact CB-CD2 4.16Å; A220-F223 PolarHBondContact O-N 2.87Å; A220-F223 VanDerWaalsContact O-N 3.13Å; A220-V224 HydrophobicContact CB-CG2 4.38Å; A220-V224 WeakPolarHBondContact O-CG2 3.36Å; A220-V224 PolarHBondContact O-N 2.75Å
221	P	98.7	Very high	98.7	Very high	48 Å²	48	47 Å²	47	31%	0.312	24%	0.242	S	C	.	.	H	α-helix	trans	-61.9	-41.6	-165.8	23.9	-34	0	0	0	112.5	Y217 L225	Y217-P221 HydrophobicContact CD1-CB 4.25Å; Y217-P221 HydrophobicContact CD2-CB 3.92Å; Y217-P221 HydrophobicContact CE1-CB 3.86Å; Y217-P221 HydrophobicContact CE2-CB 3.5Å; Y217-P221 HydrophobicContact CG-CB 4.27Å; Y217-P221 VanDerWaalsContact CZ-CB 3.46Å; Y217-P221 WeakPolarHBondContact O-CA 3.46Å; Y217-P221 WeakPolarHBondContact O-CB 3.21Å; Y217-P221 WeakPolarHBondContact O-CD 3.42Å; P221-L225 WeakPolarHBondContact O-CG 3.24Å; P221-L225 PolarHBondContact O-N 2.8Å
222	V	98.8	Very high	98.7	Very high	83 Å²	83	44.1 Å²	44.1	50%	0.503	22%	0.222	S	C	.	.	H	α-helix	trans	-66.8	-44.9	179	178.1	0	0	0	0	111	A220 L225 M226	A220-V222 VanDerWaalsContact C-N 3.34Å; A220-V222 PolarHBondContact O-N 2.7Å; V222-L225 PolarHBondContact O-N 3Å; V222-M226 HydrophobicContact CG1-CE 3.56Å; V222-M226 HydrophobicContact CG1-CG 4.49Å; V222-M226 HydrophobicContact CG1-SD 4.04Å; V222-M226 VanDerWaalsContact O-CG 3.31Å; V222-M226 WeakPolarHBondContact O-CG 3.43Å; V222-M226 PolarHBondContact O-N 2.87Å
223	F	98.9	Very high	98.7	Very high	22 Å²	22	46.4 Å²	46.4	10%	0.096	23%	0.229	C	C	.	.	H	α-helix	trans	-71.8	-37.2	-174.9	-55.5	-54	0	0	0	112.3	A210 T212 M214 A220 L225 M226 E227 V460 I462 F463	A210-F223 HydrophobicContact CB-CE2 4.11Å; A210-F223 HydrophobicContact CB-CZ 3.99Å; T212-F223 HydrophobicContact CG2-CD2 3.65Å; T212-F223 HydrophobicContact CG2-CE2 3.57Å; M214-F223 HydrophobicContact CE-CB 4.24Å; M214-F223 HydrophobicContact SD-CB 3.49Å; M214-F223 WeakPolarHBondContact SD-CB 3.15Å; A220-F223 HydrophobicContact CB-CB 4.41Å; A220-F223 HydrophobicContact CB-CD2 4.16Å; A220-F223 PolarHBondContact O-N 2.87Å; A220-F223 VanDerWaalsContact O-N 3.13Å; F223-L225 PolarHBondContact O-N 2.73Å; F223-M226 HydrophobicContact CD1-SD 4.33Å; F223-M226 PolarHBondContact O-N 2.86Å; F223-E227 WeakPolarHBondContact O-CB 3.09Å; F223-E227 PolarHBondContact O-N 2.85Å; F223-V460 HydrophobicContact CB-CG1 3.8Å; F223-V460 HydrophobicContact CD1-CG1 3.6Å; F223-V460 HydrophobicContact CD2-CG1 3.86Å; F223-V460 HydrophobicContact CD2-CG2 3.98Å; F223-V460 HydrophobicContact CE1-CG1 4.09Å; F223-V460 HydrophobicContact CE2-CG1 4.32Å; F223-V460 HydrophobicContact CE2-CG2 4.43Å; F223-V460 HydrophobicContact CG-CG1 3.47Å; F223-V460 VanDerWaalsContact CG-CG1 3.47Å; F223-V460 HydrophobicContact CG-CG2 4.36Å; F223-V460 HydrophobicContact CZ-CG1 4.42Å; F223-I462 HydrophobicContact CB-CG2 4.06Å; F223-F463 HydrophobicContact CD1-CB 4.02Å; F223-F463 HydrophobicContact CD1-CD2 4.22Å; F223-F463 HydrophobicContact CD1-CG 4.43Å; F223-F463 HydrophobicContact CE1-CB 3.86Å; F223-F463 AromaticContact CE1-CD2 3.77Å; F223-F463 HydrophobicContact CE1-CD2 3.77Å; F223-F463 AromaticContact CE1-CG 3.91Å; F223-F463 HydrophobicContact CE1-CG 3.91Å
224	V	98.9	Very high	98.7	Very high	4 Å²	4	44.7 Å²	44.7	2%	0.024	22%	0.22	C	C	.	.	H	α-helix	trans	-58.4	-47.2	173.3	167	0	0	0	0	111	M214 Y217 A220 E227 Q228 Y447	M214-V224 HydrophobicContact CE-CG2 4.48Å; Y217-V224 HydrophobicContact CD2-CB 4.4Å; Y217-V224 HydrophobicContact CD2-CG1 4.28Å; A220-V224 HydrophobicContact CB-CG2 4.38Å; A220-V224 WeakPolarHBondContact O-CG2 3.36Å; A220-V224 PolarHBondContact O-N 2.75Å; V224-E227 PolarHBondContact O-N 3.31Å; V224-Q228 PolarHBondContact O-N 2.91Å; V224-Y447 HydrophobicContact CG1-CD1 4.47Å; V224-Y447 VanDerWaalsContact CG1-O 3.31Å; V224-Y447 WeakPolarHBondContact CG1-O 3.46Å
225	L	98.9	Very high	98.7	Very high	60 Å²	60	45.4 Å²	45.4	31%	0.314	22%	0.223	S	C	.	.	H	α-helix	trans	-66.2	-41	177.8	-65.6	177.7	0	0	0	112.2	Y217 P221 V222 F223 E227 Q228 L229 Y447	Y217-L225 HydrophobicContact CE2-CD1 4.16Å; Y217-L225 HydrophobicContact CE2-CD2 4.44Å; Y217-L225 HydrophobicContact CE2-CG 4.1Å; P221-L225 WeakPolarHBondContact O-CG 3.24Å; P221-L225 PolarHBondContact O-N 2.8Å; V222-L225 PolarHBondContact O-N 3Å; F223-L225 PolarHBondContact O-N 2.73Å; L225-E227 VanDerWaalsContact C-N 3.28Å; L225-E227 PolarHBondContact O-N 3.07Å; L225-Q228 PolarHBondContact O-N 2.92Å; L225-L229 WeakPolarHBondContact O-CB 3.23Å; L225-L229 VanDerWaalsContact O-CG 3.31Å; L225-L229 WeakPolarHBondContact O-CG 3.46Å; L225-L229 PolarHBondContact O-N 3.01Å; L225-Y447 HydrophobicContact CD2-CD1 3.84Å; L225-Y447 HydrophobicContact CD2-CE1 3.52Å
226	M	98.9	Very high	98.8	Very high	23 Å²	23	46.9 Å²	46.9	11%	0.113	23%	0.23	C	C	.	.	H	α-helix	trans	-59.6	-40.6	174.2	-74.4	176.9	175.3	0	0	111.9	V222 F223 T230 I462 F463 W466	V222-M226 HydrophobicContact CG1-CE 3.56Å; V222-M226 HydrophobicContact CG1-CG 4.49Å; V222-M226 HydrophobicContact CG1-SD 4.04Å; V222-M226 VanDerWaalsContact O-CG 3.31Å; V222-M226 WeakPolarHBondContact O-CG 3.43Å; V222-M226 PolarHBondContact O-N 2.87Å; F223-M226 HydrophobicContact CD1-SD 4.33Å; F223-M226 PolarHBondContact O-N 2.86Å; M226-T230 VanDerWaalsContact O-CB 3.24Å; M226-T230 WeakPolarHBondContact O-CB 3.5Å; M226-T230 PolarHBondContact O-N 3.28Å; M226-T230 PolarHBondContact O-OG1 3.2Å; M226-I462 HydrophobicContact CB-CG1 3.87Å; M226-F463 HydrophobicContact CE-CD2 4.09Å; M226-F463 HydrophobicContact CE-CE2 4.08Å; M226-F463 HydrophobicContact SD-CD2 3.73Å; M226-F463 HydrophobicContact SD-CE2 4.32Å; M226-W466 HydrophobicContact CB-CG 4.33Å; M226-W466 HydrophobicContact CE-CD2 3.85Å; M226-W466 HydrophobicContact CE-CE3 3.68Å; M226-W466 HydrophobicContact CE-CH2 3.74Å; M226-W466 HydrophobicContact CE-CZ2 3.88Å; M226-W466 HydrophobicContact CE-CZ3 3.64Å; M226-W466 HydrophobicContact CG-CD2 4.18Å; M226-W466 HydrophobicContact CG-CG 4.12Å; M226-W466 HydrophobicContact SD-CD2 3.89Å; M226-W466 HydrophobicContact SD-CE3 4Å; M226-W466 HydrophobicContact SD-CG 4.13Å
227	E	98.9	Very high	98.8	Very high	4 Å²	4	47.6 Å²	47.6	2%	0.019	23%	0.234	C	C	.	.	H	α-helix	trans	-67.2	-47.6	-179.7	178.4	166.9	109.1	0	0	110.4	M214 F223 V224 L225 L229 T230 L231 F249 R458 I462	M214-E227 HydrophobicContact CE-CB 3.83Å; M214-E227 HydrophobicContact CE-CG 4.32Å; M214-E227 WeakPolarHBondContact CE-OE2 3.33Å; F223-E227 WeakPolarHBondContact O-CB 3.09Å; F223-E227 PolarHBondContact O-N 2.85Å; V224-E227 PolarHBondContact O-N 3.31Å; L225-E227 VanDerWaalsContact C-N 3.28Å; L225-E227 PolarHBondContact O-N 3.07Å; E227-L229 PolarHBondContact O-N 3.3Å; E227-T230 PolarHBondContact O-N 2.88Å; E227-L231 HydrophobicContact CG-CD1 3.57Å; E227-L231 HydrophobicContact CG-CG 4.19Å; E227-L231 WeakPolarHBondContact O-CB 3.4Å; E227-L231 VanDerWaalsContact O-CG 3.23Å; E227-L231 WeakPolarHBondContact O-CG 3.45Å; E227-L231 PolarHBondContact O-N 3.47Å; E227-F249 HydrophobicContact CG-CD2 3.69Å; E227-F249 HydrophobicContact CG-CE2 3.99Å; E227-F249 VanDerWaalsContact OE2-CD2 3.26Å; E227-F249 WeakPolarHBondContact OE2-CD2 3.28Å; E227-R458 IonicContact OE1-CZ 2.76Å; E227-R458 IonicContact OE1-NH1 3.43Å; E227-R458 PolarHBondContact OE1-NH1 3.1Å; E227-R458 IonicContact OE1-NH2 2.69Å; E227-R458 PolarHBondContact OE1-NH2 2.81Å; E227-R458 IonicContact OE2-CZ 3.37Å; E227-R458 IonicContact OE2-NH1 3.15Å; E227-R458 PolarHBondContact OE2-NH1 3.36Å; E227-R458 IonicContact OE2-NH2 3.2Å; E227-I462 HydrophobicContact CB-CB 4.16Å; E227-I462 HydrophobicContact CB-CD1 4.45Å; E227-I462 HydrophobicContact CB-CG1 4Å; E227-I462 HydrophobicContact CB-CG2 4.28Å
228	Q	98.7	Very high	98.8	Very high	97 Å²	97	44.1 Å²	44.1	45%	0.453	22%	0.22	S	C	.	.	H	α-helix	trans	-56.4	-48.4	177.2	-173	-175.9	14.8	0	0	112.2	V224 L225 K232 Y447	V224-Q228 PolarHBondContact O-N 2.91Å; L225-Q228 PolarHBondContact O-N 2.92Å; Q228-K232 WeakPolarHBondContact O-CB 3.24Å; Q228-K232 PolarHBondContact O-N 3.07Å; Q228-Y447 VanDerWaalsContact OE1-CE1 3.3Å
229	L	98.8	Very high	98.8	Very high	111 Å²	111	40.6 Å²	40.6	58%	0.581	21%	0.214	S	C	*	.	H	α-helix	trans	-68.2	-39.9	-178.6	-69.7	172.5	0	0	0	112.2	L225 E227 K232 K233	L225-L229 WeakPolarHBondContact O-CB 3.23Å; L225-L229 VanDerWaalsContact O-CG 3.31Å; L225-L229 WeakPolarHBondContact O-CG 3.46Å; L225-L229 PolarHBondContact O-N 3.01Å; E227-L229 PolarHBondContact O-N 3.3Å; L229-K232 PolarHBondContact O-N 3.04Å; L229-K233 PolarHBondContact O-N 3.29Å
230	T	98.9	Very high	98.8	Very high	6 Å²	6	37.5 Å²	37.5	4%	0.037	20%	0.198	C	C	.	.	H	α-helix	trans	-70.9	-42.9	-179.7	-56.8	0	0	0	0	111.2	M226 E227 K232 K233 M234 I462 F465 W469	M226-T230 VanDerWaalsContact O-CB 3.24Å; M226-T230 WeakPolarHBondContact O-CB 3.5Å; M226-T230 PolarHBondContact O-N 3.28Å; M226-T230 PolarHBondContact O-OG1 3.2Å; E227-T230 PolarHBondContact O-N 2.88Å; T230-K232 VanDerWaalsContact C-N 3.32Å; T230-K232 PolarHBondContact O-N 3.15Å; T230-K233 WeakPolarHBondContact O-CB 3.23Å; T230-K233 PolarHBondContact O-N 2.98Å; T230-K233 VanDerWaalsContact O-N 3.1Å; T230-M234 HydrophobicContact CG2-SD 4.38Å; T230-M234 WeakPolarHBondContact O-CG 3.4Å; T230-M234 PolarHBondContact O-N 3.12Å; T230-I462 HydrophobicContact CG2-CD1 3.8Å; T230-F465 HydrophobicContact CG2-CD1 3.75Å; T230-F465 HydrophobicContact CG2-CE1 3.49Å; T230-F465 VanDerWaalsContact CG2-CE1 3.49Å; T230-F465 HydrophobicContact CG2-CZ 4.35Å; T230-W469 HydrophobicContact CG2-CE3 4.02Å; T230-W469 HydrophobicContact CG2-CZ3 3.88Å
231	L	98.9	Very high	98.7	Very high	4 Å²	4	41.6 Å²	41.6	2%	0.021	22%	0.224	C	C	.	.	H	α-helix	trans	-62.4	-40	174.7	-70.4	168.8	0	0	0	111.5	E227 K233 M234 R235 G247 F249 A416 L418	E227-L231 HydrophobicContact CG-CD1 3.57Å; E227-L231 HydrophobicContact CG-CG 4.19Å; E227-L231 WeakPolarHBondContact O-CB 3.4Å; E227-L231 VanDerWaalsContact O-CG 3.23Å; E227-L231 WeakPolarHBondContact O-CG 3.45Å; E227-L231 PolarHBondContact O-N 3.47Å; L231-K233 VanDerWaalsContact C-N 3.32Å; L231-K233 PolarHBondContact O-N 2.66Å; L231-M234 HydrophobicContact CD2-SD 4.31Å; L231-M234 PolarHBondContact O-N 2.99Å; L231-R235 WeakPolarHBondContact O-CG 3.37Å; L231-R235 PolarHBondContact O-N 2.67Å; L231-G247 WeakPolarHBondContact CD1-O 3.47Å; L231-F249 HydrophobicContact CD1-CD2 4.46Å; L231-F249 HydrophobicContact CD1-CE2 4.46Å; L231-F249 HydrophobicContact CD2-CD2 4.11Å; L231-F249 HydrophobicContact CD2-CE2 3.74Å; L231-F249 HydrophobicContact CD2-CZ 4.37Å; L231-F249 HydrophobicContact CG-CD2 4.32Å; L231-F249 HydrophobicContact CG-CE2 3.88Å; L231-A416 HydrophobicContact CD2-CB 3.82Å; L231-L418 HydrophobicContact CD2-CD2 3.64Å
232	K	98.9	Very high	98.5	Very high	86 Å²	86	45.4 Å²	45.4	37%	0.374	24%	0.242	S	C	.	.	H	α-helix	trans	-56.9	-47.1	171.2	-177.2	-178.4	177.7	178.7	0	111	Q228 L229 T230 M234 R235 E236 N242	Q228-K232 WeakPolarHBondContact O-CB 3.24Å; Q228-K232 PolarHBondContact O-N 3.07Å; L229-K232 PolarHBondContact O-N 3.04Å; T230-K232 VanDerWaalsContact C-N 3.32Å; T230-K232 PolarHBondContact O-N 3.15Å; K232-M234 VanDerWaalsContact C-N 3.33Å; K232-M234 PolarHBondContact O-N 3.29Å; K232-R235 VanDerWaalsContact CA-NH2 3.33Å; K232-R235 PolarHBondContact O-N 2.97Å; K232-E236 WeakPolarHBondContact O-CG 3.21Å; K232-E236 PolarHBondContact O-N 3.01Å; K232-N242 WeakPolarHBondContact CE-O 3.46Å
233	K	98.9	Very high	98.4	Very high	87 Å²	87	41.5 Å²	41.5	38%	0.378	22%	0.218	S	C	.	.	H	α-helix	trans	-62.4	-39.5	178.7	-168.4	50.2	163	176.6	0	112.8	L229 T230 L231 E236 I237 W469	L229-K233 PolarHBondContact O-N 3.29Å; T230-K233 WeakPolarHBondContact O-CB 3.23Å; T230-K233 PolarHBondContact O-N 2.98Å; T230-K233 VanDerWaalsContact O-N 3.1Å; L231-K233 VanDerWaalsContact C-N 3.32Å; L231-K233 PolarHBondContact O-N 2.66Å; K233-E236 WeakPolarHBondContact CD-OE2 3.28Å; K233-E236 IonicContact NZ-OE2 3.73Å; K233-E236 PolarHBondContact NZ-OE2 3.02Å; K233-E236 WeakPolarHBondContact O-CB 3.44Å; K233-E236 PolarHBondContact O-N 3.27Å; K233-I237 HydrophobicContact CG-CD1 4.29Å; K233-I237 WeakPolarHBondContact O-CD1 3.48Å; K233-I237 WeakPolarHBondContact O-CG1 3.37Å; K233-I237 PolarHBondContact O-N 3.4Å; K233-I237 VanDerWaalsContact O-N 3.08Å; K233-W469 HydrophobicContact CB-CH2 4.27Å; K233-W469 HydrophobicContact CG-CH2 3.75Å; K233-W469 HydrophobicContact CG-CZ2 3.79Å; K233-W469 HydrophobicContact CG-CZ3 4.49Å
234	M	98.9	Very high	98.3	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-62.9	-41.3	175	-66.9	171.2	75.8	0	0	111.6	T230 L231 K232 I237 V238 F249 W402 P404 A416 L418 F465 W469	T230-M234 HydrophobicContact CG2-SD 4.38Å; T230-M234 WeakPolarHBondContact O-CG 3.4Å; T230-M234 PolarHBondContact O-N 3.12Å; L231-M234 HydrophobicContact CD2-SD 4.31Å; L231-M234 PolarHBondContact O-N 2.99Å; K232-M234 VanDerWaalsContact C-N 3.33Å; K232-M234 PolarHBondContact O-N 3.29Å; M234-I237 WeakPolarHBondContact O-CB 3.5Å; M234-I237 PolarHBondContact O-N 2.8Å; M234-V238 WeakPolarHBondContact O-CG2 3.4Å; M234-V238 PolarHBondContact O-N 3.01Å; M234-F249 HydrophobicContact SD-CZ 4.28Å; M234-W402 HydrophobicContact CB-CE3 4.05Å; M234-W402 HydrophobicContact CB-CZ3 3.77Å; M234-W402 HydrophobicContact CE-CB 4.06Å; M234-W402 HydrophobicContact CE-CD2 3.55Å; M234-W402 HydrophobicContact CE-CE3 3.35Å; M234-W402 HydrophobicContact CE-CG 3.91Å; M234-W402 HydrophobicContact CE-CZ3 3.99Å; M234-W402 HydrophobicContact CG-CE3 4.16Å; M234-W402 HydrophobicContact CG-CH2 4.46Å; M234-W402 HydrophobicContact CG-CZ3 3.85Å; M234-P404 HydrophobicContact CE-CG 4.3Å; M234-A416 HydrophobicContact CE-CB 3.75Å; M234-A416 HydrophobicContact SD-CB 4.29Å; M234-L418 HydrophobicContact CB-CD1 3.93Å; M234-L418 HydrophobicContact CB-CD2 4.32Å; M234-F465 HydrophobicContact SD-CE1 3.85Å; M234-W469 HydrophobicContact CG-CH2 4.35Å; M234-W469 HydrophobicContact CG-CZ3 4.14Å
235	R	98.9	Very high	98.2	Very high	16 Å²	16	44.7 Å²	44.7	6%	0.06	24%	0.235	C	C	.	.	H	α-helix	trans	-65.6	-38.3	175.4	-68.1	-174.5	-54.5	-98.2	0.4	112.9	L231 K232 I237 V238 G239 W240 G243 D246 L418	L231-R235 WeakPolarHBondContact O-CG 3.37Å; L231-R235 PolarHBondContact O-N 2.67Å; K232-R235 VanDerWaalsContact CA-NH2 3.33Å; K232-R235 PolarHBondContact O-N 2.97Å; R235-I237 VanDerWaalsContact C-N 3.29Å; R235-I237 PolarHBondContact O-N 3.21Å; R235-V238 PolarHBondContact O-N 3.17Å; R235-G239 PolarHBondContact O-N 3.28Å; R235-G239 VanDerWaalsContact O-N 3.08Å; R235-W240 HydrophobicContact CB-CE3 3.83Å; R235-W240 HydrophobicContact CB-CZ3 4.45Å; R235-W240 HydrophobicContact CG-CE3 3.54Å; R235-W240 HydrophobicContact CG-CZ3 3.67Å; R235-W240 PolarHBondContact O-N 3.46Å; R235-G243 PolarHBondContact NE-O 3.12Å; R235-G243 PolarHBondContact NH2-O 2.99Å; R235-D246 WeakPolarHBondContact CD-O 3.46Å; R235-D246 PolarHBondContact NH1-O 3.05Å; R235-L418 HydrophobicContact CG-CB 4.27Å; R235-L418 HydrophobicContact CG-CD1 4.17Å; R235-L418 HydrophobicContact CG-CD2 4.12Å; R235-L418 HydrophobicContact CG-CG 4.42Å
236	E	98.8	Very high	98.2	Very high	70 Å²	70	42.9 Å²	42.9	33%	0.327	23%	0.225	S	C	.	.	H	α-helix	trans	-59.1	-41.5	171.3	-69.4	171.3	-172.2	0	0	111.4	K232 K233 G239	K232-E236 WeakPolarHBondContact O-CG 3.21Å; K232-E236 PolarHBondContact O-N 3.01Å; K233-E236 WeakPolarHBondContact CD-OE2 3.28Å; K233-E236 IonicContact NZ-OE2 3.73Å; K233-E236 PolarHBondContact NZ-OE2 3.02Å; K233-E236 WeakPolarHBondContact O-CB 3.44Å; K233-E236 PolarHBondContact O-N 3.27Å; E236-G239 WeakPolarHBondContact O-CA 3.25Å; E236-G239 PolarHBondContact O-N 3.22Å; E236-G239 VanDerWaalsContact O-N 3.12Å
237	I	98.8	Very high	98.2	Very high	18 Å²	18	41.8 Å²	41.8	9%	0.092	22%	0.22	C	C	.	.	H	α-helix	trans	-68.4	-39.9	179.4	-75.3	159.9	0	0	0	111.9	K233 M234 R235 G239 L382 M383 R388 W402 W469	K233-I237 HydrophobicContact CG-CD1 4.29Å; K233-I237 WeakPolarHBondContact O-CD1 3.48Å; K233-I237 WeakPolarHBondContact O-CG1 3.37Å; K233-I237 PolarHBondContact O-N 3.4Å; K233-I237 VanDerWaalsContact O-N 3.08Å; M234-I237 WeakPolarHBondContact O-CB 3.5Å; M234-I237 PolarHBondContact O-N 2.8Å; R235-I237 VanDerWaalsContact C-N 3.29Å; R235-I237 PolarHBondContact O-N 3.21Å; I237-G239 PolarHBondContact O-N 3.29Å; I237-L382 HydrophobicContact CG2-CB 3.52Å; I237-L382 HydrophobicContact CG2-CD1 4.42Å; I237-M383 HydrophobicContact CD1-SD 3.76Å; I237-R388 PolarHBondContact O-NH2 3.36Å; I237-W402 HydrophobicContact CG2-CH2 3.98Å; I237-W402 HydrophobicContact CG2-CZ3 4.15Å; I237-W469 HydrophobicContact CD1-CH2 3.59Å; I237-W469 HydrophobicContact CD1-CZ2 3.57Å
238	V	98.8	Very high	98.2	Very high	2 Å²	2	41.6 Å²	41.6	1%	0.012	22%	0.219	C	C	.	.	H	α-helix	trans	-57.6	-30.7	170.2	165.2	0	0	0	0	111.3	M234 R235 W240 L382 V394 V400 L418	M234-V238 WeakPolarHBondContact O-CG2 3.4Å; M234-V238 PolarHBondContact O-N 3.01Å; R235-V238 PolarHBondContact O-N 3.17Å; V238-W240 HydrophobicContact CG1-CD2 4.2Å; V238-W240 HydrophobicContact CG1-CG 4.35Å; V238-W240 HydrophobicContact CG1-CZ2 4.28Å; V238-L382 HydrophobicContact CG2-CD1 4.02Å; V238-V394 HydrophobicContact CG1-CG1 4.36Å; V238-V394 HydrophobicContact CG1-CG2 4.23Å; V238-V400 HydrophobicContact CG1-CG2 4.2Å; V238-L418 HydrophobicContact CG2-CD1 3.92Å
239	G	98.6	Very high	98.2	Very high	38 Å²	38	37 Å²	37	39%	0.392	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	107.2	13.8	178.1	0	0	0	0	0	113.9	R235 E236 I237	R235-G239 PolarHBondContact O-N 3.28Å; R235-G239 VanDerWaalsContact O-N 3.08Å; E236-G239 WeakPolarHBondContact O-CA 3.25Å; E236-G239 PolarHBondContact O-N 3.22Å; E236-G239 VanDerWaalsContact O-N 3.12Å; I237-G239 PolarHBondContact O-N 3.29Å
240	W	98.7	Very high	98.2	Very high	6 Å²	6	31.8 Å²	31.8	2%	0.023	17%	0.17	C	C	.	.			trans	-76	132.9	173.6	-65.1	-18.8	0	0	0	110.8	R235 V238 N242 G243 E395 A397 V400 L418 V419 R420	R235-W240 HydrophobicContact CB-CE3 3.83Å; R235-W240 HydrophobicContact CB-CZ3 4.45Å; R235-W240 HydrophobicContact CG-CE3 3.54Å; R235-W240 HydrophobicContact CG-CZ3 3.67Å; R235-W240 PolarHBondContact O-N 3.46Å; V238-W240 HydrophobicContact CG1-CD2 4.2Å; V238-W240 HydrophobicContact CG1-CG 4.35Å; V238-W240 HydrophobicContact CG1-CZ2 4.28Å; W240-N242 PolarHBondContact O-N 3.36Å; W240-G243 PolarHBondContact O-N 2.95Å; W240-E395 VanDerWaalsContact CD1-O 3.23Å; W240-E395 PolarHBondContact NE1-O 3.24Å; W240-A397 WeakPolarHBondContact CZ2-O 3.43Å; W240-V400 HydrophobicContact CH2-CG2 4.46Å; W240-V400 HydrophobicContact CZ2-CG2 4.14Å; W240-L418 HydrophobicContact CH2-CB 3.92Å; W240-L418 HydrophobicContact CZ3-CB 3.88Å; W240-V419 VanDerWaalsContact CH2-C 3.5Å; W240-V419 WeakPolarHBondContact CZ3-O 3.49Å; W240-R420 HydrophobicContact CD2-CB 4.19Å; W240-R420 HydrophobicContact CD2-CG 4.01Å; W240-R420 HydrophobicContact CE3-CB 4.33Å; W240-R420 HydrophobicContact CE3-CG 4.46Å; W240-R420 HydrophobicContact CG-CG 4.32Å; W240-R420 HydrophobicContact CH2-CB 3.92Å; W240-R420 VanDerWaalsContact CH2-N 3.3Å; W240-R420 HydrophobicContact CZ2-CB 3.7Å; W240-R420 HydrophobicContact CZ2-CG 4.27Å; W240-R420 HydrophobicContact CZ3-CB 4.21Å
241	P	96.3	Very high	98.2	Very high	88 Å²	88	33.5 Å²	33.5	57%	0.571	18%	0.181	S	C	*	.	G	3₁₀ helix	trans	-52.5	127	-173.7	-28.6	34.9	0	0	0	112.7	G243 E244	P241-G243 PolarHBondContact O-N 3.02Å; P241-E244 VanDerWaalsContact O-CB 3.31Å; P241-E244 WeakPolarHBondContact O-CB 3.22Å; P241-E244 WeakPolarHBondContact O-CG 3.21Å; P241-E244 PolarHBondContact O-N 3.37Å
242	N	94.6	Very high	98.2	Very high	128 Å²	128	33.7 Å²	33.7	68%	0.684	19%	0.185	S	C	*	.	G	3₁₀ helix	trans	54.1	17.4	-179.7	-55.8	-38.9	0	0	0	115.2	K232 W240 E244	K232-N242 WeakPolarHBondContact CE-O 3.46Å; W240-N242 PolarHBondContact O-N 3.36Å; N242-E244 HydrophobicContact CB-CG 4.43Å; N242-E244 PolarHBondContact O-N 2.98Å
243	G	95.8	Very high	98.2	Very high	1 Å²	1	30 Å²	30	1%	0.01	17%	0.171	C	C	.	.	G	3₁₀ helix	trans	66.4	23.6	-172.5	0	0	0	0	0	113.5	R235 W240 P241	R235-G243 PolarHBondContact NE-O 3.12Å; R235-G243 PolarHBondContact NH2-O 2.99Å; W240-G243 PolarHBondContact O-N 2.95Å; P241-G243 PolarHBondContact O-N 3.02Å
244	E	96.9	Very high	98.2	Very high	89 Å²	89	27.8 Å²	27.8	42%	0.416	17%	0.169	S	C	.	.			trans	-62.1	155.4	173.8	-73.8	-56.6	135.7	0	0	111.9	P241 N242 R422	P241-E244 VanDerWaalsContact O-CB 3.31Å; P241-E244 WeakPolarHBondContact O-CB 3.22Å; P241-E244 WeakPolarHBondContact O-CG 3.21Å; P241-E244 PolarHBondContact O-N 3.37Å; N242-E244 HydrophobicContact CB-CG 4.43Å; N242-E244 PolarHBondContact O-N 2.98Å; E244-R422 IonicContact OE1-NH2 3.37Å; E244-R422 PolarHBondContact OE1-NH2 3.18Å; E244-R422 IonicContact OE2-CZ 2.72Å; E244-R422 IonicContact OE2-NE 3.03Å; E244-R422 PolarHBondContact OE2-NE 3.43Å; E244-R422 IonicContact OE2-NH2 2.8Å; E244-R422 PolarHBondContact OE2-NH2 3.38Å
245	G	97.9	Very high	98.2	Very high	5 Å²	5	29.8 Å²	29.8	5%	0.052	18%	0.179	C	C	.	.	S	Bend	trans	111.4	-165.3	-170.1	0	0	0	0	0	113.3	V419 R420 R422	G245-V419 CarbonylContact C-O 3.48Å; G245-V419 WeakPolarHBondContact CA-O 3.38Å; G245-R420 VanDerWaalsContact CA-O 3.26Å; G245-R420 WeakPolarHBondContact CA-O 3.44Å; G245-R422 WeakPolarHBondContact O-CG 3.42Å; G245-R422 PolarHBondContact O-NE 3.13Å
246	D	98.5	Very high	98.2	Very high	22 Å²	22	29 Å²	29	12%	0.118	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	176	-171.7	-158.9	-5.3	0	0	0	110.5	R235 V419 R422 L425 K452	R235-D246 WeakPolarHBondContact CD-O 3.46Å; R235-D246 PolarHBondContact NH1-O 3.05Å; D246-V419 HydrophobicContact CB-CB 4.48Å; D246-V419 PolarHBondContact N-O 3.08Å; D246-V419 PolarHBondContact O-N 3.08Å; D246-R422 HydrophobicContact CB-CG 4.41Å; D246-L425 HydrophobicContact CB-CD1 4.28Å; D246-K452 IonicContact OD1-NZ 2.68Å; D246-K452 PolarHBondContact OD1-NZ 3.3Å
247	G	98.8	Very high	98.2	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	170.8	167.9	174.1	0	0	0	0	0	112.3	L231 I417 K452	L231-G247 WeakPolarHBondContact CD1-O 3.47Å; G247-I417 CarbonylContact C-O 3.5Å; G247-I417 WeakPolarHBondContact CA-O 3.13Å; G247-K452 WeakPolarHBondContact O-CE 3.29Å; G247-K452 PolarHBondContact O-NZ 3.1Å
248	I	98.9	Very high	98.2	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.2	150	175.4	-163.6	158.3	0	0	0	109.9	Y259 I417 L425 K452 A453	I248-Y259 HydrophobicContact CG2-CE2 4.41Å; I248-I417 HydrophobicContact CG2-CG2 3.63Å; I248-I417 PolarHBondContact N-O 3.16Å; I248-I417 WeakPolarHBondContact O-CG2 3.2Å; I248-I417 PolarHBondContact O-N 2.84Å; I248-L425 HydrophobicContact CG2-CD1 4.49Å; I248-L425 HydrophobicContact CG2-CD2 4.48Å; I248-K452 HydrophobicContact CD1-CG 3.99Å; I248-A453 HydrophobicContact CD1-CB 3.7Å
249	F	98.9	Very high	98.2	Very high	1 Å²	1	26.4 Å²	26.4	0%	0.004	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	145.2	166.9	-76.5	-95.4	0	0	0	110.4	E227 L231 M234 C414 S415 A416 D461 I462 F465	E227-F249 HydrophobicContact CG-CD2 3.69Å; E227-F249 HydrophobicContact CG-CE2 3.99Å; E227-F249 VanDerWaalsContact OE2-CD2 3.26Å; E227-F249 WeakPolarHBondContact OE2-CD2 3.28Å; L231-F249 HydrophobicContact CD1-CD2 4.46Å; L231-F249 HydrophobicContact CD1-CE2 4.46Å; L231-F249 HydrophobicContact CD2-CD2 4.11Å; L231-F249 HydrophobicContact CD2-CE2 3.74Å; L231-F249 HydrophobicContact CD2-CZ 4.37Å; L231-F249 HydrophobicContact CG-CD2 4.32Å; L231-F249 HydrophobicContact CG-CE2 3.88Å; M234-F249 HydrophobicContact SD-CZ 4.28Å; F249-C414 VanDerWaalsContact CE1-SG 3.55Å; F249-S415 CarbonylContact C-O 3.58Å; F249-S415 VanDerWaalsContact CA-O 3.23Å; F249-S415 WeakPolarHBondContact CA-O 3.34Å; F249-S415 WeakPolarHBondContact CD1-O 3.32Å; F249-A416 HydrophobicContact CD1-CB 4.3Å; F249-A416 HydrophobicContact CE1-CB 4.16Å; F249-A416 HydrophobicContact CZ-CB 4.38Å; F249-D461 HydrophobicContact CD1-CB 4.49Å; F249-I462 HydrophobicContact CE2-CD1 3.68Å; F249-I462 HydrophobicContact CZ-CD1 3.86Å; F249-F465 HydrophobicContact CE1-CD1 4.21Å; F249-F465 AromaticContact CZ-CD1 3.9Å; F249-F465 HydrophobicContact CZ-CD1 3.9Å; F249-F465 HydrophobicContact CZ-CE1 4.31Å
250	S	98.8	Very high	98.2	Very high	1 Å²	1	24.6 Å²	24.6	1%	0.007	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	157.7	-176.6	72.7	0	0	0	0	110.6	G252 S256 S415	S250-G252 PolarHBondContact O-N 2.87Å; S250-G252 PolarHBondContact OG-O 2.67Å; S250-S256 PolarHBondContact OG-N 2.78Å; S250-S256 PolarHBondContact OG-OG 3.34Å; S250-S415 PolarHBondContact N-O 3.26Å
251	P	98.6	Very high	98.2	Very high	41 Å²	41	24.3 Å²	24.3	27%	0.266	14%	0.144	S	C	.	.	S	Bend	trans	-78.8	62.8	-175.9	33.3	-36.6	0	0	0	110.9	I255 Q413	P251-I255 HydrophobicContact CG-CB 4.41Å; P251-I255 HydrophobicContact CG-CG1 4.17Å; P251-I255 HydrophobicContact CG-CG2 4.43Å; P251-Q413 VanDerWaalsContact CB-OE1 3.27Å; P251-Q413 PolarHBondContact O-NE2 3.03Å; P251-Q413 PolarHBondContact O-OE1 3.05Å
252	G	98.5	Very high	98.3	Very high	9 Å²	9	21.1 Å²	21.1	9%	0.093	12%	0.122	C	C	.	.	S	Bend	trans	104.7	152.5	179.7	0	0	0	0	0	114.6	S250 A254 I255 S256	S250-G252 PolarHBondContact O-N 2.87Å; S250-G252 PolarHBondContact OG-O 2.67Å; G252-A254 PolarHBondContact O-N 3.42Å; G252-A254 VanDerWaalsContact O-N 3.11Å; G252-I255 PolarHBondContact O-N 3.36Å; G252-S256 PolarHBondContact O-N 3.47Å
253	G	98.7	Very high	98.5	Very high	8 Å²	8	15 Å²	15	8%	0.082	9%	0.089	C	C	.	.	H	α-helix	trans	-62.8	-21.6	-176.5	0	0	0	0	0	114.3	I255 S256 N257 N403 S415	G253-I255 VanDerWaalsContact C-N 3.3Å; G253-I255 PolarHBondContact O-N 3.22Å; G253-S256 PolarHBondContact O-N 3.13Å; G253-N257 WeakPolarHBondContact O-CB 3.48Å; G253-N257 VanDerWaalsContact O-CG 3.3Å; G253-N257 PolarHBondContact O-N 3.47Å; G253-N403 PolarHBondContact N-ND2 3.37Å; G253-S415 WeakPolarHBondContact CA-OG 3.46Å; G253-S415 PolarHBondContact N-OG 3.43Å; G253-S415 VanDerWaalsContact N-OG 3.17Å
254	A	98.9	Very high	98.7	Very high	41 Å²	41	15 Å²	15	34%	0.339	9%	0.089	S	C	.	.	H	α-helix	trans	-63.2	-38	172.5	0	0	0	0	0	112	G252 M258	G252-A254 PolarHBondContact O-N 3.42Å; G252-A254 VanDerWaalsContact O-N 3.11Å; A254-M258 PolarHBondContact O-N 3.06Å; A254-M258 VanDerWaalsContact O-N 3.07Å
255	I	98.9	Very high	98.8	Very high	42 Å²	42	12.4 Å²	12.4	22%	0.215	8%	0.075	C	C	.	.	H	α-helix	trans	-77.5	-35.5	175.6	-60.2	-58	0	0	0	110.7	P251 G252 G253 N257 M258 Y259 I454	P251-I255 HydrophobicContact CG-CB 4.41Å; P251-I255 HydrophobicContact CG-CG1 4.17Å; P251-I255 HydrophobicContact CG-CG2 4.43Å; G252-I255 PolarHBondContact O-N 3.36Å; G253-I255 VanDerWaalsContact C-N 3.3Å; G253-I255 PolarHBondContact O-N 3.22Å; I255-N257 VanDerWaalsContact C-N 3.31Å; I255-N257 PolarHBondContact O-N 3.33Å; I255-M258 HydrophobicContact CD1-CE 4.26Å; I255-M258 HydrophobicContact CD1-SD 4.38Å; I255-M258 CarbonylContact O-C 3.42Å; I255-M258 WeakPolarHBondContact O-CA 3.19Å; I255-M258 WeakPolarHBondContact O-CB 3.08Å; I255-M258 PolarHBondContact O-N 2.83Å; I255-Y259 HydrophobicContact CG2-CD2 3.91Å; I255-Y259 HydrophobicContact CG2-CE2 3.71Å; I255-Y259 VanDerWaalsContact O-CD2 3.23Å; I255-Y259 WeakPolarHBondContact O-CD2 3.5Å; I255-Y259 PolarHBondContact O-N 2.93Å; I255-I454 HydrophobicContact CG2-CD1 3.69Å
256	S	98.9	Very high	98.8	Very high	0 Å²	0	15 Å²	15	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-56.4	-44.6	169	-68.1	0	0	0	0	112.5	S250 G252 G253 M258 Y259 S260 T401 S415	S250-S256 PolarHBondContact OG-N 2.78Å; S250-S256 PolarHBondContact OG-OG 3.34Å; G252-S256 PolarHBondContact O-N 3.47Å; G253-S256 PolarHBondContact O-N 3.13Å; S256-M258 VanDerWaalsContact C-N 3.29Å; S256-M258 PolarHBondContact O-N 3.34Å; S256-Y259 WeakPolarHBondContact O-CB 3.38Å; S256-Y259 PolarHBondContact O-N 3.41Å; S256-S260 PolarHBondContact O-N 3.39Å; S256-T401 VanDerWaalsContact CB-OG1 3.28Å; S256-T401 WeakPolarHBondContact CB-OG1 3.3Å; S256-S415 PolarHBondContact OG-OG 3.22Å; S256-S415 VanDerWaalsContact OG-OG 3.08Å
257	N	98.9	Very high	98.8	Very high	1 Å²	1	18.6 Å²	18.6	1%	0.005	10%	0.099	C	C	.	.	H	α-helix	trans	-66.2	-30.1	174.3	-73.3	-6.7	0	0	0	112.4	G253 I255 S260 V261 S294 I295 H372 D374 T401	G253-N257 WeakPolarHBondContact O-CB 3.48Å; G253-N257 VanDerWaalsContact O-CG 3.3Å; G253-N257 PolarHBondContact O-N 3.47Å; I255-N257 VanDerWaalsContact C-N 3.31Å; I255-N257 PolarHBondContact O-N 3.33Å; N257-S260 PolarHBondContact O-OG 2.79Å; N257-V261 WeakPolarHBondContact O-CG2 3.3Å; N257-V261 PolarHBondContact O-N 2.86Å; N257-S294 PolarHBondContact ND2-OG 2.88Å; N257-I295 HydrophobicContact CB-CD1 3.86Å; N257-H372 PolarHBondContact OD1-NE2 2.79Å; N257-D374 PolarHBondContact ND2-OD2 2.84Å; N257-T401 VanDerWaalsContact OD1-CB 3.28Å; N257-T401 WeakPolarHBondContact OD1-CB 3.38Å; N257-T401 PolarHBondContact OD1-OG1 3.05Å
258	M	98.9	Very high	98.7	Very high	33 Å²	33	21.4 Å²	21.4	16%	0.163	12%	0.118	C	C	.	.	H	α-helix	trans	-69.4	-43.4	172.1	-172.6	-178.5	-70.6	0	0	111.4	A254 I255 S256 S260 V261 M262 A298 A301 L302	A254-M258 PolarHBondContact O-N 3.06Å; A254-M258 VanDerWaalsContact O-N 3.07Å; I255-M258 HydrophobicContact CD1-CE 4.26Å; I255-M258 HydrophobicContact CD1-SD 4.38Å; I255-M258 CarbonylContact O-C 3.42Å; I255-M258 WeakPolarHBondContact O-CA 3.19Å; I255-M258 WeakPolarHBondContact O-CB 3.08Å; I255-M258 PolarHBondContact O-N 2.83Å; S256-M258 VanDerWaalsContact C-N 3.29Å; S256-M258 PolarHBondContact O-N 3.34Å; M258-S260 VanDerWaalsContact C-N 3.31Å; M258-S260 PolarHBondContact O-N 2.83Å; M258-V261 PolarHBondContact O-N 2.93Å; M258-M262 HydrophobicContact CG-CG 4.47Å; M258-M262 HydrophobicContact CG-SD 4.13Å; M258-M262 VanDerWaalsContact O-CG 3.29Å; M258-M262 WeakPolarHBondContact O-CG 3.33Å; M258-M262 PolarHBondContact O-N 3.18Å; M258-A298 HydrophobicContact CB-CB 4.24Å; M258-A298 HydrophobicContact CG-CB 4.29Å; M258-A301 HydrophobicContact CE-CB 4.07Å; M258-L302 HydrophobicContact CG-CD1 3.92Å; M258-L302 HydrophobicContact CG-CD2 4.1Å; M258-L302 HydrophobicContact CG-CG 4.14Å; M258-L302 HydrophobicContact SD-CD2 4.35Å
259	Y	98.9	Very high	98.7	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-55.9	-45.2	172.8	-83.5	-72.6	0	0	0	111.3	I248 I255 S256 V261 M262 I263 I417 L425 A453 I454	I248-Y259 HydrophobicContact CG2-CE2 4.41Å; I255-Y259 HydrophobicContact CG2-CD2 3.91Å; I255-Y259 HydrophobicContact CG2-CE2 3.71Å; I255-Y259 VanDerWaalsContact O-CD2 3.23Å; I255-Y259 WeakPolarHBondContact O-CD2 3.5Å; I255-Y259 PolarHBondContact O-N 2.93Å; S256-Y259 WeakPolarHBondContact O-CB 3.38Å; S256-Y259 PolarHBondContact O-N 3.41Å; Y259-V261 VanDerWaalsContact C-N 3.31Å; Y259-V261 PolarHBondContact O-N 3.25Å; Y259-M262 PolarHBondContact O-N 2.65Å; Y259-M262 VanDerWaalsContact O-N 3.16Å; Y259-I263 WeakPolarHBondContact O-CB 3.26Å; Y259-I263 VanDerWaalsContact O-CD1 3.24Å; Y259-I263 WeakPolarHBondContact O-CD1 3.4Å; Y259-I263 WeakPolarHBondContact O-CG1 3.31Å; Y259-I263 PolarHBondContact O-N 2.85Å; Y259-I417 HydrophobicContact CD2-CG2 3.98Å; Y259-I417 HydrophobicContact CG-CG2 4.11Å; Y259-L425 HydrophobicContact CD1-CD2 3.92Å; Y259-L425 HydrophobicContact CE1-CD2 4.3Å; Y259-A453 VanDerWaalsContact OH-CA 3.24Å; Y259-A453 WeakPolarHBondContact OH-CA 3.47Å; Y259-A453 WeakPolarHBondContact OH-CB 3.29Å; Y259-I454 HydrophobicContact CD1-CG2 4.25Å; Y259-I454 HydrophobicContact CE1-CB 4.34Å; Y259-I454 HydrophobicContact CE1-CG1 4.31Å; Y259-I454 HydrophobicContact CE1-CG2 3.65Å; Y259-I454 HydrophobicContact CE2-CD1 4.46Å; Y259-I454 HydrophobicContact CE2-CG1 4.28Å; Y259-I454 PolarHBondContact OH-N 2.82Å
260	S	98.9	Very high	98.7	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-60.6	-40.7	-178.9	71	0	0	0	0	112.5	S256 N257 M258 A264 H372	S256-S260 PolarHBondContact O-N 3.39Å; N257-S260 PolarHBondContact O-OG 2.79Å; M258-S260 VanDerWaalsContact C-N 3.31Å; M258-S260 PolarHBondContact O-N 2.83Å; S260-A264 WeakPolarHBondContact O-CB 2.99Å; S260-A264 PolarHBondContact O-N 3.01Å; S260-H372 VanDerWaalsContact CB-CE1 3.44Å; S260-H372 WeakPolarHBondContact CB-CE1 3.5Å; S260-H372 WeakPolarHBondContact CB-ND1 3.41Å; S260-H372 PolarHBondContact OG-CD2 3.08Å; S260-H372 PolarHBondContact OG-CE1 3.23Å; S260-H372 PolarHBondContact OG-ND1 3.35Å; S260-H372 PolarHBondContact OG-NE2 2.94Å
261	V	98.9	Very high	98.6	Very high	0 Å²	0	29 Å²	29	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-66.8	-43.7	174	176.3	0	0	0	0	111.8	N257 M258 Y259 I263 A264 R265 L285 A298 L302 F304 F341	N257-V261 WeakPolarHBondContact O-CG2 3.3Å; N257-V261 PolarHBondContact O-N 2.86Å; M258-V261 PolarHBondContact O-N 2.93Å; Y259-V261 VanDerWaalsContact C-N 3.31Å; Y259-V261 PolarHBondContact O-N 3.25Å; V261-I263 VanDerWaalsContact C-N 3.33Å; V261-I263 PolarHBondContact O-N 3.01Å; V261-A264 PolarHBondContact O-N 3.47Å; V261-R265 WeakPolarHBondContact O-CB 3.33Å; V261-R265 PolarHBondContact O-N 2.97Å; V261-L285 HydrophobicContact CB-CD2 4.38Å; V261-L285 HydrophobicContact CG1-CD2 3.63Å; V261-L285 HydrophobicContact CG2-CD2 3.8Å; V261-A298 HydrophobicContact CG2-CB 4.43Å; V261-L302 HydrophobicContact CB-CD1 3.85Å; V261-L302 HydrophobicContact CG1-CD1 3.56Å; V261-F304 HydrophobicContact CG1-CD2 4.42Å; V261-F304 HydrophobicContact CG1-CE2 3.63Å; V261-F304 HydrophobicContact CG1-CZ 3.97Å; V261-F341 HydrophobicContact CG2-CD1 4.39Å; V261-F341 HydrophobicContact CG2-CD2 4.48Å; V261-F341 HydrophobicContact CG2-CE1 3.93Å; V261-F341 HydrophobicContact CG2-CE2 4.04Å; V261-F341 HydrophobicContact CG2-CZ 3.74Å
262	M	98.9	Very high	98.6	Very high	22 Å²	22	27.4 Å²	27.4	11%	0.108	15%	0.148	C	C	.	.	H	α-helix	trans	-59.9	-44.3	177.8	-72.7	175.6	60.8	0	0	111.9	M258 Y259 R265 Y266 L302 N429 I454	M258-M262 HydrophobicContact CG-CG 4.47Å; M258-M262 HydrophobicContact CG-SD 4.13Å; M258-M262 VanDerWaalsContact O-CG 3.29Å; M258-M262 WeakPolarHBondContact O-CG 3.33Å; M258-M262 PolarHBondContact O-N 3.18Å; Y259-M262 PolarHBondContact O-N 2.65Å; Y259-M262 VanDerWaalsContact O-N 3.16Å; M262-R265 PolarHBondContact O-N 2.95Å; M262-Y266 WeakPolarHBondContact O-CB 3.44Å; M262-Y266 PolarHBondContact O-N 2.97Å; M262-L302 HydrophobicContact CG-CD1 3.64Å; M262-L302 HydrophobicContact CG-CD2 3.55Å; M262-L302 HydrophobicContact CG-CG 4.26Å; M262-L302 HydrophobicContact SD-CD2 3.91Å; M262-N429 WeakPolarHBondContact CE-OD1 3.35Å; M262-I454 HydrophobicContact CE-CG2 3.49Å; M262-I454 VanDerWaalsContact CE-CG2 3.49Å; M262-I454 HydrophobicContact SD-CG2 3.84Å
263	I	98.8	Very high	98.6	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-68.9	-44.9	-178.7	-67.3	160.5	0	0	0	110.8	Y259 V261 R265 Y266 K267 W370 V419 L424 L425	Y259-I263 WeakPolarHBondContact O-CB 3.26Å; Y259-I263 VanDerWaalsContact O-CD1 3.24Å; Y259-I263 WeakPolarHBondContact O-CD1 3.4Å; Y259-I263 WeakPolarHBondContact O-CG1 3.31Å; Y259-I263 PolarHBondContact O-N 2.85Å; V261-I263 VanDerWaalsContact C-N 3.33Å; V261-I263 PolarHBondContact O-N 3.01Å; I263-R265 VanDerWaalsContact C-N 3.28Å; I263-R265 PolarHBondContact O-N 3.5Å; I263-Y266 PolarHBondContact O-N 2.85Å; I263-K267 WeakPolarHBondContact O-CB 3.5Å; I263-K267 PolarHBondContact O-N 3.32Å; I263-W370 HydrophobicContact CG2-CH2 3.61Å; I263-W370 HydrophobicContact CG2-CZ2 3.83Å; I263-W370 HydrophobicContact CG2-CZ3 4.39Å; I263-V419 HydrophobicContact CD1-CG2 3.71Å; I263-V419 HydrophobicContact CG2-CG1 4.23Å; I263-L424 HydrophobicContact CG2-CB 3.83Å; I263-L424 HydrophobicContact CG2-CD1 3.89Å; I263-L425 HydrophobicContact CD1-CD2 3.37Å; I263-L425 HydrophobicContact CD1-CG 3.83Å; I263-L425 HydrophobicContact CG1-CD2 4.1Å
264	A	98.9	Very high	98.6	Very high	0 Å²	0	36 Å²	36	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-57.4	-44.4	174.7	0	0	0	0	0	111.1	S260 V261 K267 S268 M340 F341 W370	S260-A264 WeakPolarHBondContact O-CB 2.99Å; S260-A264 PolarHBondContact O-N 3.01Å; V261-A264 PolarHBondContact O-N 3.47Å; A264-K267 PolarHBondContact O-N 2.86Å; A264-S268 PolarHBondContact O-N 2.98Å; A264-S268 VanDerWaalsContact O-N 3.12Å; A264-S268 PolarHBondContact O-OG 3.25Å; A264-M340 HydrophobicContact CB-CE 4.26Å; A264-F341 HydrophobicContact CB-CD2 3.69Å; A264-F341 HydrophobicContact CB-CE2 4.45Å; A264-W370 HydrophobicContact CB-CB 3.76Å; A264-W370 HydrophobicContact CB-CD2 3.76Å; A264-W370 HydrophobicContact CB-CE3 4.38Å; A264-W370 HydrophobicContact CB-CG 3.47Å; A264-W370 VanDerWaalsContact CB-CG 3.47Å
265	R	98.8	Very high	98.6	Very high	34 Å²	34	41.1 Å²	41.1	13%	0.128	21%	0.205	C	C	.	.	H	α-helix	trans	-62.2	-47.2	175.1	-173.1	-177	64.9	-162.7	-4.1	112.5	V261 M262 I263 K267 S268 F269 M277 L283 L302 F304 M340	V261-R265 WeakPolarHBondContact O-CB 3.33Å; V261-R265 PolarHBondContact O-N 2.97Å; M262-R265 PolarHBondContact O-N 2.95Å; I263-R265 VanDerWaalsContact C-N 3.28Å; I263-R265 PolarHBondContact O-N 3.5Å; R265-K267 VanDerWaalsContact C-N 3.29Å; R265-K267 PolarHBondContact O-N 3.02Å; R265-S268 PolarHBondContact O-N 2.98Å; R265-F269 CarbonylContact O-C 2.94Å; R265-F269 WeakPolarHBondContact O-CA 3.23Å; R265-F269 PolarHBondContact O-N 3.16Å; R265-M277 WeakPolarHBondContact CD-SD 3.28Å; R265-M277 PolarHBondContact NH1-SD 3.35Å; R265-L283 HydrophobicContact CG-CD1 4.19Å; R265-L302 PolarHBondContact NH1-O 3.11Å; R265-F304 HydrophobicContact CB-CZ 4.11Å; R265-F304 HydrophobicContact CG-CZ 4.09Å; R265-M340 VanDerWaalsContact CA-SD 3.58Å; R265-M340 HydrophobicContact CB-CE 4.01Å; R265-M340 HydrophobicContact CB-SD 4.15Å; R265-M340 HydrophobicContact CG-SD 4.46Å
266	Y	98.8	Very high	98.6	Very high	61 Å²	61	40.7 Å²	40.7	24%	0.239	21%	0.211	C	C	.	.	H	α-helix	trans	-63	-37.9	179.6	179.1	-101.6	0	0	0	111.8	M262 I263 P270 K273 G427 C428	M262-Y266 WeakPolarHBondContact O-CB 3.44Å; M262-Y266 PolarHBondContact O-N 2.97Å; I263-Y266 PolarHBondContact O-N 2.85Å; Y266-P270 HydrophobicContact CD2-CB 4.1Å; Y266-P270 HydrophobicContact CE2-CB 3.88Å; Y266-P270 VanDerWaalsContact O-CA 3.3Å; Y266-P270 WeakPolarHBondContact O-CA 3.24Å; Y266-P270 WeakPolarHBondContact O-CB 3.35Å; Y266-P270 WeakPolarHBondContact O-CD 3.03Å; Y266-K273 HydrophobicContact CD2-CB 4.42Å; Y266-K273 HydrophobicContact CD2-CD 4.43Å; Y266-K273 HydrophobicContact CE2-CD 4.02Å; Y266-G427 VanDerWaalsContact CE1-C 3.49Å; Y266-G427 WeakPolarHBondContact CE2-O 3.43Å; Y266-G427 VanDerWaalsContact CZ-O 3.29Å; Y266-G427 WeakPolarHBondContact OH-CA 3.28Å; Y266-G427 PolarHBondContact OH-O 2.97Å; Y266-C428 HydrophobicContact CD1-CB 3.92Å; Y266-C428 HydrophobicContact CD2-CB 4.31Å; Y266-C428 HydrophobicContact CG-CB 3.75Å
267	K	98.4	Very high	98.5	Very high	97 Å²	97	42.8 Å²	42.8	42%	0.422	22%	0.221	S	C	.	.	H	α-helix	trans	-62.6	-42.4	176.2	-179.8	67.2	-177	-169.3	0	112	I263 A264 R265 W370 E421 L424	I263-K267 WeakPolarHBondContact O-CB 3.5Å; I263-K267 PolarHBondContact O-N 3.32Å; A264-K267 PolarHBondContact O-N 2.86Å; R265-K267 VanDerWaalsContact C-N 3.29Å; R265-K267 PolarHBondContact O-N 3.02Å; K267-W370 HydrophobicContact CB-CZ3 4.37Å; K267-W370 HydrophobicContact CG-CZ3 4.34Å; K267-E421 WeakPolarHBondContact CE-OE2 3.44Å; K267-E421 IonicContact NZ-OE1 3.14Å; K267-E421 PolarHBondContact NZ-OE1 2.92Å; K267-E421 IonicContact NZ-OE2 3.57Å; K267-E421 PolarHBondContact NZ-OE2 3.01Å; K267-L424 HydrophobicContact CB-CD1 4.46Å; K267-L424 HydrophobicContact CB-CD2 4.48Å; K267-L424 HydrophobicContact CD-CD1 4.13Å; K267-L424 HydrophobicContact CD-CD2 3.77Å
268	S	97.4	Very high	98.5	Very high	59 Å²	59	47.7 Å²	47.7	41%	0.413	26%	0.262	S	S	.	.	H	α-helix	trans	-86	-35.5	-176.3	-60.6	0	0	0	0	113.8	A264 R265	A264-S268 PolarHBondContact O-N 2.98Å; A264-S268 VanDerWaalsContact O-N 3.12Å; A264-S268 PolarHBondContact O-OG 3.25Å; R265-S268 PolarHBondContact O-N 2.98Å
269	F	98.2	Very high	98.4	Very high	35 Å²	35	48.1 Å²	48.1	15%	0.154	27%	0.271	C	S	.	.			trans	-141.8	67.5	-173.2	-61.7	-82.9	0	0	0	110.7	R265 E271 V272 A280 P281 L283 V338 M340	R265-F269 CarbonylContact O-C 2.94Å; R265-F269 WeakPolarHBondContact O-CA 3.23Å; R265-F269 PolarHBondContact O-N 3.16Å; F269-E271 WeakPolarHBondContact CA-OE2 3.46Å; F269-E271 PolarHBondContact O-N 3.08Å; F269-V272 HydrophobicContact CB-CG2 3.85Å; F269-V272 WeakPolarHBondContact O-CB 3.08Å; F269-V272 WeakPolarHBondContact O-CG2 3.24Å; F269-V272 PolarHBondContact O-N 3.34Å; F269-V272 VanDerWaalsContact O-N 3.12Å; F269-A280 HydrophobicContact CB-CB 4.3Å; F269-A280 HydrophobicContact CD1-CB 4.07Å; F269-A280 HydrophobicContact CG-CB 4.1Å; F269-P281 VanDerWaalsContact CE1-CD 3.49Å; F269-P281 HydrophobicContact CE1-CG 3.86Å; F269-P281 HydrophobicContact CZ-CG 3.86Å; F269-L283 HydrophobicContact CD2-CD1 3.79Å; F269-L283 HydrophobicContact CD2-CD2 3.7Å; F269-L283 HydrophobicContact CD2-CG 4.41Å; F269-L283 HydrophobicContact CE2-CD1 4.21Å; F269-L283 HydrophobicContact CE2-CD2 3.25Å; F269-L283 HydrophobicContact CE2-CG 4.38Å; F269-L283 HydrophobicContact CG-CD1 4.45Å; F269-L283 HydrophobicContact CZ-CD2 3.72Å; F269-V338 HydrophobicContact CE2-CG1 4.18Å; F269-V338 HydrophobicContact CZ-CG1 4.11Å; F269-M340 HydrophobicContact CD2-SD 4.33Å
270	P	98.1	Very high	98.3	Very high	59 Å²	59	48.9 Å²	48.9	38%	0.383	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-28.2	-176.2	24.4	-34.7	0	0	0	113.3	Y266 V272 K273	Y266-P270 HydrophobicContact CD2-CB 4.1Å; Y266-P270 HydrophobicContact CE2-CB 3.88Å; Y266-P270 VanDerWaalsContact O-CA 3.3Å; Y266-P270 WeakPolarHBondContact O-CA 3.24Å; Y266-P270 WeakPolarHBondContact O-CB 3.35Å; Y266-P270 WeakPolarHBondContact O-CD 3.03Å; P270-V272 PolarHBondContact O-N 3.01Å; P270-K273 VanDerWaalsContact O-CB 3.26Å; P270-K273 WeakPolarHBondContact O-CB 3.39Å; P270-K273 PolarHBondContact O-N 3.41Å; P270-K273 VanDerWaalsContact O-N 3.09Å
271	E	98	Very high	98.2	Very high	66 Å²	66	51.8 Å²	51.8	31%	0.308	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-25.7	177.7	66.3	-85.9	-155.4	0	0	113.3	F269 K273 T274 K275 A279	F269-E271 WeakPolarHBondContact CA-OE2 3.46Å; F269-E271 PolarHBondContact O-N 3.08Å; E271-K273 PolarHBondContact O-N 2.92Å; E271-T274 PolarHBondContact O-N 3Å; E271-T274 PolarHBondContact O-OG1 3.04Å; E271-T274 VanDerWaalsContact O-OG1 3.06Å; E271-K275 HydrophobicContact CB-CD 4.27Å; E271-K275 WeakPolarHBondContact O-CB 3.4Å; E271-K275 PolarHBondContact O-N 3.3Å; E271-A279 HydrophobicContact CG-CB 4.35Å
272	V	98.6	Very high	98.2	Very high	8 Å²	8	56.3 Å²	56.3	5%	0.048	31%	0.313	C	S	.	.	H	α-helix	trans	-58.4	-31.4	176.2	172.3	0	0	0	0	111.3	F269 P270 T274 G276 M277 A280	F269-V272 HydrophobicContact CB-CG2 3.85Å; F269-V272 WeakPolarHBondContact O-CB 3.08Å; F269-V272 WeakPolarHBondContact O-CG2 3.24Å; F269-V272 PolarHBondContact O-N 3.34Å; F269-V272 VanDerWaalsContact O-N 3.12Å; P270-V272 PolarHBondContact O-N 3.01Å; V272-T274 PolarHBondContact O-N 3.41Å; V272-G276 WeakPolarHBondContact O-CA 3.28Å; V272-G276 PolarHBondContact O-N 3.49Å; V272-M277 HydrophobicContact CG1-CG 4.37Å; V272-M277 HydrophobicContact CG1-SD 3.78Å; V272-A280 HydrophobicContact CG2-CB 3.64Å
273	K	98.3	Very high	98.2	Very high	80 Å²	80	55.4 Å²	55.4	35%	0.348	31%	0.309	S	S	.	.	H	α-helix	trans	-54.5	-39.3	175.8	-178.6	176	178.7	177.5	0	111.9	Y266 P270 E271 G427 C428 S430 M431	Y266-K273 HydrophobicContact CD2-CB 4.42Å; Y266-K273 HydrophobicContact CD2-CD 4.43Å; Y266-K273 HydrophobicContact CE2-CD 4.02Å; P270-K273 VanDerWaalsContact O-CB 3.26Å; P270-K273 WeakPolarHBondContact O-CB 3.39Å; P270-K273 PolarHBondContact O-N 3.41Å; P270-K273 VanDerWaalsContact O-N 3.09Å; E271-K273 PolarHBondContact O-N 2.92Å; K273-G427 PolarHBondContact NZ-O 2.76Å; K273-C428 WeakPolarHBondContact CE-O 3.46Å; K273-S430 WeakPolarHBondContact CE-O 3.29Å; K273-S430 PolarHBondContact NZ-O 3.43Å; K273-M431 VanDerWaalsContact CE-CE 3.43Å
274	T	98.2	Very high	98.2	Very high	117 Å²	117	55.5 Å²	55.5	72%	0.718	31%	0.309	S	S	*	.	H	α-helix	trans	-102.8	-29.9	-175.8	53.8	0	0	0	0	114.1	E271 V272	E271-T274 PolarHBondContact O-N 3Å; E271-T274 PolarHBondContact O-OG1 3.04Å; E271-T274 VanDerWaalsContact O-OG1 3.06Å; V272-T274 PolarHBondContact O-N 3.41Å
275	K	98.5	Very high	98.2	Very high	149 Å²	149	55.5 Å²	55.5	65%	0.648	31%	0.309	S	S	*	.	H	α-helix	trans	-108.5	-5	-171.8	-58.3	-178.1	-176.7	175.3	0	113.6	E271 A279	E271-K275 HydrophobicContact CB-CD 4.27Å; E271-K275 WeakPolarHBondContact O-CB 3.4Å; E271-K275 PolarHBondContact O-N 3.3Å; K275-A279 HydrophobicContact CB-CB 3.42Å; K275-A279 VanDerWaalsContact CB-CB 3.42Å; K275-A279 HydrophobicContact CD-CB 4.02Å; K275-A279 HydrophobicContact CG-CB 4.37Å
276	G	98.4	Very high	98.2	Very high	34 Å²	34	53.9 Å²	53.9	35%	0.351	30%	0.303	S	S	.	.			trans	75.1	174.7	-176.1	0	0	0	0	0	113.8	V272 A278 A279	V272-G276 WeakPolarHBondContact O-CA 3.28Å; V272-G276 PolarHBondContact O-N 3.49Å; G276-A278 PolarHBondContact O-N 3.42Å; G276-A279 WeakPolarHBondContact O-CB 3.06Å; G276-A279 PolarHBondContact O-N 2.97Å; G276-A279 VanDerWaalsContact O-N 3.14Å
277	M	98	Very high	98.2	Very high	43 Å²	43	51 Å²	51	21%	0.212	29%	0.292	C	S	.	.	G	3₁₀ helix	trans	-60.8	-26.5	-175.3	-74	-63.6	-59.4	0	0	113.5	R265 V272 A279 A280 L283 F304	R265-M277 WeakPolarHBondContact CD-SD 3.28Å; R265-M277 PolarHBondContact NH1-SD 3.35Å; V272-M277 HydrophobicContact CG1-CG 4.37Å; V272-M277 HydrophobicContact CG1-SD 3.78Å; M277-A279 PolarHBondContact O-N 3.33Å; M277-A280 PolarHBondContact O-N 3Å; M277-A280 VanDerWaalsContact O-N 3.08Å; M277-L283 HydrophobicContact CE-CD1 4.13Å; M277-F304 HydrophobicContact CE-CD1 3.64Å; M277-F304 HydrophobicContact CE-CD2 4.37Å; M277-F304 HydrophobicContact CE-CE1 3.76Å; M277-F304 HydrophobicContact CE-CE2 4.45Å; M277-F304 HydrophobicContact CE-CG 3.98Å; M277-F304 HydrophobicContact CE-CZ 4.18Å; M277-F304 HydrophobicContact SD-CZ 4.45Å
278	A	97.6	Very high	98.2	Very high	105 Å²	105	46.4 Å²	46.4	87%	0.868	27%	0.272	S	S	*	.	G	3₁₀ helix	trans	-65.7	-17.1	178.9	0	0	0	0	0	113.6	G276 A280	G276-A278 PolarHBondContact O-N 3.42Å; A278-A280 VanDerWaalsContact C-N 3.31Å
279	A	97.4	Very high	98.3	Very high	42 Å²	42	47.7 Å²	47.7	35%	0.347	27%	0.271	S	S	.	.	G	3₁₀ helix	trans	-81.6	-10.1	174.9	0	0	0	0	0	113.7	E271 K275 G276 M277	E271-A279 HydrophobicContact CG-CB 4.35Å; K275-A279 HydrophobicContact CB-CB 3.42Å; K275-A279 VanDerWaalsContact CB-CB 3.42Å; K275-A279 HydrophobicContact CD-CB 4.02Å; K275-A279 HydrophobicContact CG-CB 4.37Å; G276-A279 WeakPolarHBondContact O-CB 3.06Å; G276-A279 PolarHBondContact O-N 2.97Å; G276-A279 VanDerWaalsContact O-N 3.14Å; M277-A279 PolarHBondContact O-N 3.33Å
280	A	97.4	Very high	98.3	Very high	15 Å²	15	48 Å²	48	12%	0.124	27%	0.273	C	S	.	.	S	Bend	trans	-104.3	154.8	175	0	0	0	0	0	110.7	F269 V272 M277 A278 L283	F269-A280 HydrophobicContact CB-CB 4.3Å; F269-A280 HydrophobicContact CD1-CB 4.07Å; F269-A280 HydrophobicContact CG-CB 4.1Å; V272-A280 HydrophobicContact CG2-CB 3.64Å; M277-A280 PolarHBondContact O-N 3Å; M277-A280 VanDerWaalsContact O-N 3.08Å; A278-A280 VanDerWaalsContact C-N 3.31Å; A280-L283 HydrophobicContact CB-CD1 4.09Å; A280-L283 HydrophobicContact CB-CD2 4.39Å; A280-L283 HydrophobicContact CB-CG 4.26Å
281	P	97.5	Very high	98.3	Very high	61 Å²	61	46.1 Å²	46.1	40%	0.396	26%	0.262	S	S	.	.			trans	-62.7	174.6	167	29.2	-35	0	0	0	110.7	F269 L283 V338	F269-P281 VanDerWaalsContact CE1-CD 3.49Å; F269-P281 HydrophobicContact CE1-CG 3.86Å; F269-P281 HydrophobicContact CZ-CG 3.86Å; P281-L283 HydrophobicContact CG-CD2 4.02Å; P281-L283 WeakPolarHBondContact O-CD2 3.11Å; P281-L283 VanDerWaalsContact O-CG 3.32Å; P281-L283 WeakPolarHBondContact O-CG 3.13Å; P281-L283 PolarHBondContact O-N 3.46Å; P281-V338 HydrophobicContact CB-CG2 3.99Å; P281-V338 HydrophobicContact CG-CB 4.35Å; P281-V338 HydrophobicContact CG-CG2 3.52Å
282	R	98.1	Very high	98.3	Very high	96 Å²	96	44.9 Å²	44.9	36%	0.362	26%	0.256	S	S	.	.			trans	-65.7	102	176.3	-171.5	168.1	174.6	163.1	10.6	110.4	E307 N308 Y337 V338	R282-E307 IonicContact NH2-OE2 3.64Å; R282-N308 PolarHBondContact NE-OD1 3.4Å; R282-N308 PolarHBondContact NH2-OD1 3.17Å; R282-Y337 HydrophobicContact CB-CD1 3.83Å; R282-Y337 HydrophobicContact CB-CE1 4.32Å; R282-Y337 HydrophobicContact CB-CG 4.2Å; R282-Y337 HydrophobicContact CG-CD1 4.1Å; R282-Y337 HydrophobicContact CG-CD2 4.44Å; R282-Y337 HydrophobicContact CG-CE1 4.36Å; R282-Y337 HydrophobicContact CG-CG 4.16Å; R282-Y337 PolarHBondContact NH1-OH 3.2Å; R282-Y337 VanDerWaalsContact NH1-OH 3.1Å; R282-V338 PolarHBondContact O-N 3.3Å
283	L	98.7	Very high	98.3	Very high	3 Å²	3	50.8 Å²	50.8	2%	0.016	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	139.3	-179.2	-52.3	-175.4	0	0	0	110.6	R265 F269 M277 A280 P281 F304 N308 V338 M340	R265-L283 HydrophobicContact CG-CD1 4.19Å; F269-L283 HydrophobicContact CD2-CD1 3.79Å; F269-L283 HydrophobicContact CD2-CD2 3.7Å; F269-L283 HydrophobicContact CD2-CG 4.41Å; F269-L283 HydrophobicContact CE2-CD1 4.21Å; F269-L283 HydrophobicContact CE2-CD2 3.25Å; F269-L283 HydrophobicContact CE2-CG 4.38Å; F269-L283 HydrophobicContact CG-CD1 4.45Å; F269-L283 HydrophobicContact CZ-CD2 3.72Å; M277-L283 HydrophobicContact CE-CD1 4.13Å; A280-L283 HydrophobicContact CB-CD1 4.09Å; A280-L283 HydrophobicContact CB-CD2 4.39Å; A280-L283 HydrophobicContact CB-CG 4.26Å; P281-L283 HydrophobicContact CG-CD2 4.02Å; P281-L283 WeakPolarHBondContact O-CD2 3.11Å; P281-L283 VanDerWaalsContact O-CG 3.32Å; P281-L283 WeakPolarHBondContact O-CG 3.13Å; P281-L283 PolarHBondContact O-N 3.46Å; L283-F304 HydrophobicContact CB-CD1 3.83Å; L283-F304 HydrophobicContact CB-CE1 3.62Å; L283-F304 HydrophobicContact CD1-CE1 3.78Å; L283-F304 HydrophobicContact CD1-CZ 4.49Å; L283-F304 HydrophobicContact CG-CE1 4.28Å; L283-N308 WeakPolarHBondContact O-CB 3.16Å; L283-V338 CarbonylContact C-O 3.59Å; L283-V338 WeakPolarHBondContact CA-O 3.47Å; L283-V338 HydrophobicContact CD2-CB 3.92Å; L283-V338 HydrophobicContact CD2-CG1 4.21Å; L283-M340 HydrophobicContact CD1-SD 3.78Å
284	V	98.9	Very high	98.3	Very high	1 Å²	1	47 Å²	47	1%	0.006	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	137	-176.9	176.5	0	0	0	0	111.3	F286 N308 I310 V332 Y337 V338 M340	V284-F286 HydrophobicContact CG1-CE1 4.13Å; V284-F286 HydrophobicContact CG1-CE2 4.05Å; V284-F286 HydrophobicContact CG1-CZ 3.74Å; V284-N308 WeakPolarHBondContact CA-O 3.22Å; V284-I310 HydrophobicContact CG1-CG1 3.55Å; V284-V332 HydrophobicContact CB-CG1 3.76Å; V284-V332 HydrophobicContact CG1-CG1 4.03Å; V284-V332 HydrophobicContact CG1-CG2 3.91Å; V284-V332 HydrophobicContact CG2-CG1 3.74Å; V284-Y337 HydrophobicContact CG2-CD2 4.16Å; V284-Y337 HydrophobicContact CG2-CG 4.44Å; V284-V338 PolarHBondContact N-O 3.1Å; V284-M340 PolarHBondContact O-N 3.5Å
285	L	98.9	Very high	98.3	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	150.6	177.7	-56.9	88.6	0	0	0	109.6	V261 F304 N308 L309 I310 F341	V261-L285 HydrophobicContact CB-CD2 4.38Å; V261-L285 HydrophobicContact CG1-CD2 3.63Å; V261-L285 HydrophobicContact CG2-CD2 3.8Å; L285-F304 HydrophobicContact CD1-CB 4.03Å; L285-F304 HydrophobicContact CD1-CD1 3.48Å; L285-F304 VanDerWaalsContact CD1-CD1 3.48Å; L285-F304 HydrophobicContact CD1-CD2 4.36Å; L285-F304 HydrophobicContact CD1-CE1 3.91Å; L285-F304 HydrophobicContact CD1-CG 3.72Å; L285-N308 PolarHBondContact N-O 3.03Å; L285-L309 HydrophobicContact CB-CD1 3.65Å; L285-L309 WeakPolarHBondContact O-CA 3.48Å; L285-I310 PolarHBondContact O-N 3.42Å; L285-F341 CarbonylContact C-O 3.45Å; L285-F341 WeakPolarHBondContact CA-O 3.38Å; L285-F341 HydrophobicContact CB-CB 4.47Å; L285-F341 HydrophobicContact CB-CD1 4.16Å; L285-F341 HydrophobicContact CD2-CB 4.3Å; L285-F341 HydrophobicContact CD2-CD1 3.84Å; L285-F341 HydrophobicContact CD2-CE1 4.43Å; L285-F341 HydrophobicContact CD2-CG 4.23Å; L285-F341 HydrophobicContact CG-CB 4.16Å; L285-F341 HydrophobicContact CG-CD1 4.28Å
286	F	98.9	Very high	98.3	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	141.3	176.2	-53	-91.9	0	0	0	110.5	V284 I310 L312 L325 K328 I329 V332 P339 F341 V342 N343	V284-F286 HydrophobicContact CG1-CE1 4.13Å; V284-F286 HydrophobicContact CG1-CE2 4.05Å; V284-F286 HydrophobicContact CG1-CZ 3.74Å; F286-I310 WeakPolarHBondContact CA-O 3.24Å; F286-I310 HydrophobicContact CD1-CB 3.78Å; F286-I310 HydrophobicContact CD1-CG1 4.45Å; F286-I310 HydrophobicContact CD1-CG2 4.16Å; F286-I310 HydrophobicContact CE1-CB 3.99Å; F286-I310 HydrophobicContact CE1-CG1 4.19Å; F286-I310 HydrophobicContact CE1-CG2 4.3Å; F286-L312 HydrophobicContact CB-CD1 4.09Å; F286-L312 HydrophobicContact CB-CD2 4.14Å; F286-L312 HydrophobicContact CB-CG 4.17Å; F286-L312 HydrophobicContact CD1-CD2 4.07Å; F286-L325 HydrophobicContact CB-CD1 3.96Å; F286-L325 HydrophobicContact CD1-CD1 4.22Å; F286-L325 HydrophobicContact CD2-CD1 4.4Å; F286-L325 HydrophobicContact CG-CD1 3.93Å; F286-K328 HydrophobicContact CD1-CB 4.3Å; F286-K328 HydrophobicContact CE1-CB 3.91Å; F286-I329 HydrophobicContact CE1-CG1 4.36Å; F286-I329 HydrophobicContact CE2-CG1 4.03Å; F286-I329 HydrophobicContact CZ-CG1 3.9Å; F286-V332 HydrophobicContact CE1-CG2 4.1Å; F286-V332 HydrophobicContact CZ-CB 4.3Å; F286-V332 HydrophobicContact CZ-CG1 4.41Å; F286-V332 HydrophobicContact CZ-CG2 3.96Å; F286-P339 HydrophobicContact CE2-CB 3.49Å; F286-P339 VanDerWaalsContact CE2-CB 3.49Å; F286-P339 HydrophobicContact CZ-CB 3.89Å; F286-F341 WeakPolarHBondContact CD2-O 3.42Å; F286-F341 PolarHBondContact N-O 3.2Å; F286-V342 HydrophobicContact CB-CG2 4.03Å; F286-V342 HydrophobicContact CD2-CG2 3.98Å; F286-V342 HydrophobicContact CG-CG2 4.36Å; F286-V342 WeakPolarHBondContact O-CA 3.19Å; F286-N343 PolarHBondContact O-N 3.43Å
287	T	98.9	Very high	98.3	Very high	1 Å²	1	44.3 Å²	44.3	1%	0.006	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.6	154.6	175.5	-166.9	0	0	0	0	110.2	S291 I295 L309 I310 L311 L312 N343	T287-S291 VanDerWaalsContact CG2-OG 3.28Å; T287-S291 WeakPolarHBondContact CG2-OG 3.46Å; T287-S291 WeakPolarHBondContact OG1-CB 3.43Å; T287-S291 PolarHBondContact OG1-OG 3.44Å; T287-I295 HydrophobicContact CG2-CB 4.47Å; T287-I295 HydrophobicContact CG2-CG2 4.21Å; T287-L309 HydrophobicContact CG2-CD1 3.68Å; T287-L309 HydrophobicContact CG2-CD2 4.03Å; T287-L309 HydrophobicContact CG2-CG 4Å; T287-I310 PolarHBondContact N-O 2.88Å; T287-I310 VanDerWaalsContact N-O 3.16Å; T287-L311 HydrophobicContact CG2-CD2 3.73Å; T287-L311 CarbonylContact O-C 3.53Å; T287-L311 VanDerWaalsContact O-CA 3.32Å; T287-L311 WeakPolarHBondContact O-CA 3.5Å; T287-L312 PolarHBondContact O-N 3.1Å; T287-N343 PolarHBondContact OG1-ND2 3.08Å
288	S	98.7	Very high	98.4	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-52.6	141.6	171.2	-179.8	0	0	0	0	112	H290 S291 T314	S288-H290 PolarHBondContact O-N 3.21Å; S288-H290 VanDerWaalsContact O-N 3.15Å; S288-H290 PolarHBondContact OG-N 2.99Å; S288-H290 VanDerWaalsContact OG-N 3.1Å; S288-S291 WeakPolarHBondContact O-CB 3.33Å; S288-S291 PolarHBondContact O-N 2.94Å; S288-S291 PolarHBondContact O-OG 3.21Å; S288-T314 WeakPolarHBondContact OG-CG2 3.27Å
289	E	98.2	Very high	98.4	Very high	87 Å²	87	37.3 Å²	37.3	41%	0.407	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-19.2	168.2	74.7	-163.2	158.3	0	0	112.9	L311 L312 T314	E289-L311 HydrophobicContact CB-CB 4.16Å; E289-L312 PolarHBondContact N-O 3.34Å; E289-T314 HydrophobicContact CG-CG2 3.98Å; E289-T314 WeakPolarHBondContact OE1-CB 3.43Å; E289-T314 PolarHBondContact OE1-N 3.07Å; E289-T314 PolarHBondContact OE1-OG1 3.2Å
290	H	98.2	Very high	98.5	Very high	40 Å²	40	37.8 Å²	37.8	19%	0.185	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.6	7	175.2	-62.6	164.3	0	0	0	113.9	S288 T314 T348 Q560	S288-H290 PolarHBondContact O-N 3.21Å; S288-H290 VanDerWaalsContact O-N 3.15Å; S288-H290 PolarHBondContact OG-N 2.99Å; S288-H290 VanDerWaalsContact OG-N 3.1Å; H290-T314 PolarHBondContact CE1-OG1 3.27Å; H290-T314 PolarHBondContact ND1-OG1 3.47Å; H290-T348 HydrophobicContact CB-CG2 4.31Å; H290-Q560 PolarHBondContact CD2-NE2 3.18Å; H290-Q560 PolarHBondContact CE1-NE2 3.29Å; H290-Q560 PolarHBondContact ND1-NE2 3.35Å; H290-Q560 PolarHBondContact NE2-NE2 3.4Å
291	S	98.1	Very high	98.6	Very high	21 Å²	21	40.6 Å²	40.6	15%	0.147	21%	0.207	C	C	.	.	S	Bend	trans	-65.6	165.7	175.4	64.3	0	0	0	0	112.1	T287 S288 Y293 T345	T287-S291 VanDerWaalsContact CG2-OG 3.28Å; T287-S291 WeakPolarHBondContact CG2-OG 3.46Å; T287-S291 WeakPolarHBondContact OG1-CB 3.43Å; T287-S291 PolarHBondContact OG1-OG 3.44Å; S288-S291 WeakPolarHBondContact O-CB 3.33Å; S288-S291 PolarHBondContact O-N 2.94Å; S288-S291 PolarHBondContact O-OG 3.21Å; S291-Y293 PolarHBondContact O-N 2.74Å; S291-T345 WeakPolarHBondContact CB-OG1 3.25Å
292	H	98.6	Very high	98.6	Very high	39 Å²	39	38.8 Å²	38.8	18%	0.181	19%	0.194	C	C	.	.			trans	-66.2	136.3	175.4	-172	-100	0	0	0	111	S294 I295	H292-S294 WeakPolarHBondContact ND1-CB 3.34Å; H292-S294 PolarHBondContact ND1-N 2.89Å; H292-S294 VanDerWaalsContact ND1-N 3.2Å; H292-S294 PolarHBondContact ND1-OG 3.12Å; H292-S294 PolarHBondContact O-N 3.28Å; H292-I295 PolarHBondContact O-N 3.12Å
293	Y	98.2	Very high	98.6	Very high	132 Å²	132	36.5 Å²	36.5	52%	0.518	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-12.8	-177.1	71.8	-94.4	0	0	0	114	S291 I295 K296 K297	S291-Y293 PolarHBondContact O-N 2.74Å; Y293-I295 PolarHBondContact O-N 3.02Å; Y293-K296 WeakPolarHBondContact O-CB 3.46Å; Y293-K296 PolarHBondContact O-N 2.99Å; Y293-K296 VanDerWaalsContact O-N 3.11Å; Y293-K297 HydrophobicContact CD2-CD 3.85Å; Y293-K297 HydrophobicContact CD2-CG 3.99Å; Y293-K297 HydrophobicContact CE2-CD 3.57Å; Y293-K297 HydrophobicContact CE2-CG 4.24Å; Y293-K297 PolarHBondContact O-N 3.1Å
294	S	98.8	Very high	98.6	Very high	2 Å²	2	36.8 Å²	36.8	1%	0.014	20%	0.201	C	C	.	.	H	α-helix	trans	-60	-29.7	177.9	57.5	0	0	0	0	113.2	N257 H292 K296 K297 A298	N257-S294 PolarHBondContact ND2-OG 2.88Å; H292-S294 WeakPolarHBondContact ND1-CB 3.34Å; H292-S294 PolarHBondContact ND1-N 2.89Å; H292-S294 VanDerWaalsContact ND1-N 3.2Å; H292-S294 PolarHBondContact ND1-OG 3.12Å; H292-S294 PolarHBondContact O-N 3.28Å; S294-K296 VanDerWaalsContact C-N 3.32Å; S294-K297 PolarHBondContact O-N 2.87Å; S294-A298 WeakPolarHBondContact O-CB 2.88Å; S294-A298 PolarHBondContact O-N 3.41Å
295	I	98.8	Very high	98.6	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-66	-40.4	176.1	-56.4	-64.6	0	0	0	110	N257 T287 H292 Y293 A298 S299 L309 F341 N343	N257-I295 HydrophobicContact CB-CD1 3.86Å; T287-I295 HydrophobicContact CG2-CB 4.47Å; T287-I295 HydrophobicContact CG2-CG2 4.21Å; H292-I295 PolarHBondContact O-N 3.12Å; Y293-I295 PolarHBondContact O-N 3.02Å; I295-A298 PolarHBondContact O-N 3.12Å; I295-S299 WeakPolarHBondContact O-CB 3.37Å; I295-S299 PolarHBondContact O-N 3.08Å; I295-L309 HydrophobicContact CB-CD2 4.38Å; I295-L309 HydrophobicContact CG2-CD1 3.6Å; I295-L309 HydrophobicContact CG2-CD2 3.92Å; I295-L309 HydrophobicContact CG2-CG 4.44Å; I295-F341 HydrophobicContact CD1-CE1 4.44Å; I295-N343 HydrophobicContact CD1-CB 4.11Å; I295-N343 HydrophobicContact CG1-CB 4.23Å
296	K	98.6	Very high	98.5	Very high	116 Å²	116	41.3 Å²	41.3	50%	0.504	24%	0.235	S	C	.	.	H	α-helix	trans	-63.8	-42.3	173	-168.1	173.8	-177.1	176.1	0	111.9	Y293 S294 S299 A300 T306 L309	Y293-K296 WeakPolarHBondContact O-CB 3.46Å; Y293-K296 PolarHBondContact O-N 2.99Å; Y293-K296 VanDerWaalsContact O-N 3.11Å; S294-K296 VanDerWaalsContact C-N 3.32Å; K296-S299 PolarHBondContact O-N 2.9Å; K296-A300 PolarHBondContact O-N 3.4Å; K296-A300 VanDerWaalsContact O-N 3.07Å; K296-T306 HydrophobicContact CD-CG2 4.41Å; K296-T306 HydrophobicContact CG-CG2 3.71Å; K296-L309 HydrophobicContact CB-CD2 3.71Å; K296-L309 HydrophobicContact CG-CD2 4.21Å
297	K	98.8	Very high	98.5	Very high	127 Å²	127	48.5 Å²	48.5	55%	0.552	27%	0.269	S	S	*	.	H	α-helix	trans	-62.7	-43.1	173.6	-76.2	-167.8	-178.4	177.6	0	112.3	Y293 S294 A300 A301	Y293-K297 HydrophobicContact CD2-CD 3.85Å; Y293-K297 HydrophobicContact CD2-CG 3.99Å; Y293-K297 HydrophobicContact CE2-CD 3.57Å; Y293-K297 HydrophobicContact CE2-CG 4.24Å; Y293-K297 PolarHBondContact O-N 3.1Å; S294-K297 PolarHBondContact O-N 2.87Å; K297-A300 PolarHBondContact O-N 3.49Å; K297-A301 VanDerWaalsContact O-CB 3.29Å; K297-A301 WeakPolarHBondContact O-CB 3.09Å; K297-A301 PolarHBondContact O-N 2.87Å
298	A	98.8	Very high	98.5	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-63.2	-43.8	176.7	0	0	0	0	0	111.1	M258 V261 S294 I295 A300 A301 L302	M258-A298 HydrophobicContact CB-CB 4.24Å; M258-A298 HydrophobicContact CG-CB 4.29Å; V261-A298 HydrophobicContact CG2-CB 4.43Å; S294-A298 WeakPolarHBondContact O-CB 2.88Å; S294-A298 PolarHBondContact O-N 3.41Å; I295-A298 PolarHBondContact O-N 3.12Å; A298-A300 VanDerWaalsContact C-N 3.32Å; A298-A300 PolarHBondContact O-N 3Å; A298-A301 PolarHBondContact O-N 3.5Å; A298-L302 HydrophobicContact CB-CD1 4.34Å; A298-L302 WeakPolarHBondContact O-CB 3.5Å; A298-L302 VanDerWaalsContact O-CG 3.23Å; A298-L302 WeakPolarHBondContact O-CG 3.35Å; A298-L302 PolarHBondContact O-N 3.13Å
299	S	98.5	Very high	98.5	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-56.7	-45	175.3	-160.6	0	0	0	0	112	I295 K296 F304 G305	I295-S299 WeakPolarHBondContact O-CB 3.37Å; I295-S299 PolarHBondContact O-N 3.08Å; K296-S299 PolarHBondContact O-N 2.9Å; S299-F304 WeakPolarHBondContact O-CB 3.31Å; S299-F304 PolarHBondContact O-N 2.81Å; S299-F304 WeakPolarHBondContact OG-CB 3.48Å; S299-G305 PolarHBondContact O-N 3.42Å; S299-G305 PolarHBondContact OG-O 3.29Å
300	A	98.8	Very high	98.5	Very high	53 Å²	53	48.3 Å²	48.3	44%	0.438	27%	0.27	S	S	.	.	H	α-helix	trans	-66.1	-53.3	176.5	0	0	0	0	0	112	K296 K297 A298 L302 G303 T306	K296-A300 PolarHBondContact O-N 3.4Å; K296-A300 VanDerWaalsContact O-N 3.07Å; K297-A300 PolarHBondContact O-N 3.49Å; A298-A300 VanDerWaalsContact C-N 3.32Å; A298-A300 PolarHBondContact O-N 3Å; A300-L302 VanDerWaalsContact C-N 3.33Å; A300-L302 PolarHBondContact O-N 2.77Å; A300-G303 PolarHBondContact O-N 3.23Å; A300-T306 HydrophobicContact CB-CG2 4.03Å
301	A	98.8	Very high	98.6	Very high	74 Å²	74	50.4 Å²	50.4	61%	0.612	28%	0.282	S	S	*	.	H	α-helix	trans	-65.6	-33.8	-174.4	0	0	0	0	0	113.3	M258 K297 A298 G303	M258-A301 HydrophobicContact CE-CB 4.07Å; K297-A301 VanDerWaalsContact O-CB 3.29Å; K297-A301 WeakPolarHBondContact O-CB 3.09Å; K297-A301 PolarHBondContact O-N 2.87Å; A298-A301 PolarHBondContact O-N 3.5Å; A301-G303 VanDerWaalsContact C-N 3.29Å; A301-G303 PolarHBondContact O-N 3.29Å
302	L	98.7	Very high	98.6	Very high	23 Å²	23	49.4 Å²	49.4	12%	0.12	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.2	4.8	-178	-62.6	175.5	0	0	0	113.5	M258 V261 M262 R265 A298 A300 F304	M258-L302 HydrophobicContact CG-CD1 3.92Å; M258-L302 HydrophobicContact CG-CD2 4.1Å; M258-L302 HydrophobicContact CG-CG 4.14Å; M258-L302 HydrophobicContact SD-CD2 4.35Å; V261-L302 HydrophobicContact CB-CD1 3.85Å; V261-L302 HydrophobicContact CG1-CD1 3.56Å; M262-L302 HydrophobicContact CG-CD1 3.64Å; M262-L302 HydrophobicContact CG-CD2 3.55Å; M262-L302 HydrophobicContact CG-CG 4.26Å; M262-L302 HydrophobicContact SD-CD2 3.91Å; R265-L302 PolarHBondContact NH1-O 3.11Å; A298-L302 HydrophobicContact CB-CD1 4.34Å; A298-L302 WeakPolarHBondContact O-CB 3.5Å; A298-L302 VanDerWaalsContact O-CG 3.23Å; A298-L302 WeakPolarHBondContact O-CG 3.35Å; A298-L302 PolarHBondContact O-N 3.13Å; A300-L302 VanDerWaalsContact C-N 3.33Å; A300-L302 PolarHBondContact O-N 2.77Å; L302-F304 HydrophobicContact CB-CD2 3.79Å; L302-F304 HydrophobicContact CB-CE2 3.76Å; L302-F304 HydrophobicContact CD1-CE2 4.35Å
303	G	98.4	Very high	98.6	Very high	48 Å²	48	53.3 Å²	53.3	50%	0.495	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	81.9	15	174.1	0	0	0	0	0	115.2	A300 A301	A300-G303 PolarHBondContact O-N 3.23Å; A301-G303 VanDerWaalsContact C-N 3.29Å; A301-G303 PolarHBondContact O-N 3.29Å
304	F	98.5	Very high	98.6	Very high	8 Å²	8	48 Å²	48	4%	0.035	27%	0.273	C	S	.	.	S	Bend	trans	-77.6	-31.3	170.2	-64.1	-96.6	0	0	0	111.3	V261 R265 M277 L283 L285 S299 L302 N308 M340	V261-F304 HydrophobicContact CG1-CD2 4.42Å; V261-F304 HydrophobicContact CG1-CE2 3.63Å; V261-F304 HydrophobicContact CG1-CZ 3.97Å; R265-F304 HydrophobicContact CB-CZ 4.11Å; R265-F304 HydrophobicContact CG-CZ 4.09Å; M277-F304 HydrophobicContact CE-CD1 3.64Å; M277-F304 HydrophobicContact CE-CD2 4.37Å; M277-F304 HydrophobicContact CE-CE1 3.76Å; M277-F304 HydrophobicContact CE-CE2 4.45Å; M277-F304 HydrophobicContact CE-CG 3.98Å; M277-F304 HydrophobicContact CE-CZ 4.18Å; M277-F304 HydrophobicContact SD-CZ 4.45Å; L283-F304 HydrophobicContact CB-CD1 3.83Å; L283-F304 HydrophobicContact CB-CE1 3.62Å; L283-F304 HydrophobicContact CD1-CE1 3.78Å; L283-F304 HydrophobicContact CD1-CZ 4.49Å; L283-F304 HydrophobicContact CG-CE1 4.28Å; L285-F304 HydrophobicContact CD1-CB 4.03Å; L285-F304 HydrophobicContact CD1-CD1 3.48Å; L285-F304 VanDerWaalsContact CD1-CD1 3.48Å; L285-F304 HydrophobicContact CD1-CD2 4.36Å; L285-F304 HydrophobicContact CD1-CE1 3.91Å; L285-F304 HydrophobicContact CD1-CG 3.72Å; S299-F304 WeakPolarHBondContact O-CB 3.31Å; S299-F304 PolarHBondContact O-N 2.81Å; S299-F304 WeakPolarHBondContact OG-CB 3.48Å; L302-F304 HydrophobicContact CB-CD2 3.79Å; L302-F304 HydrophobicContact CB-CE2 3.76Å; L302-F304 HydrophobicContact CD1-CE2 4.35Å; F304-N308 WeakPolarHBondContact O-CB 3.42Å; F304-N308 PolarHBondContact O-ND2 2.92Å; F304-M340 HydrophobicContact CE1-CE 3.89Å; F304-M340 HydrophobicContact CZ-CE 3.89Å
305	G	98.3	Very high	98.5	Very high	31 Å²	31	50 Å²	50	32%	0.32	28%	0.283	S	S	.	.			trans	79.4	153.2	-170.2	0	0	0	0	0	111.9	S299 E307 N308	S299-G305 PolarHBondContact O-N 3.42Å; S299-G305 PolarHBondContact OG-O 3.29Å; G305-E307 VanDerWaalsContact C-N 3.33Å; G305-E307 PolarHBondContact O-N 2.81Å; G305-N308 PolarHBondContact O-N 2.77Å
306	T	98.1	Very high	98.2	Very high	65 Å²	65	58.2 Å²	58.2	40%	0.399	32%	0.322	S	S	.	.	G	3₁₀ helix	trans	-76.4	-20.2	-174.1	52.9	0	0	0	0	113.7	K296 A300 N308 L309	K296-T306 HydrophobicContact CD-CG2 4.41Å; K296-T306 HydrophobicContact CG-CG2 3.71Å; A300-T306 HydrophobicContact CB-CG2 4.03Å; T306-N308 PolarHBondContact O-N 2.69Å; T306-L309 PolarHBondContact O-N 2.76Å
307	E	98.1	Very high	98	Very high	152 Å²	152	56.2 Å²	56.2	71%	0.71	31%	0.311	S	S	*	.	G	3₁₀ helix	trans	-69.9	-19.7	174.9	-62.8	-175.5	175	0	0	113	R282 G305 L309	R282-E307 IonicContact NH2-OE2 3.64Å; G305-E307 VanDerWaalsContact C-N 3.33Å; G305-E307 PolarHBondContact O-N 2.81Å; E307-L309 VanDerWaalsContact C-N 3.33Å
308	N	98.4	Very high	97.9	Very high	21 Å²	21	50.2 Å²	50.2	11%	0.112	29%	0.285	C	S	.	.	G	3₁₀ helix	trans	-92.6	3.6	177.9	-67	-30.5	0	0	0	112.9	R282 L283 V284 L285 F304 G305 T306	R282-N308 PolarHBondContact NE-OD1 3.4Å; R282-N308 PolarHBondContact NH2-OD1 3.17Å; L283-N308 WeakPolarHBondContact O-CB 3.16Å; V284-N308 WeakPolarHBondContact CA-O 3.22Å; L285-N308 PolarHBondContact N-O 3.03Å; F304-N308 WeakPolarHBondContact O-CB 3.42Å; F304-N308 PolarHBondContact O-ND2 2.92Å; G305-N308 PolarHBondContact O-N 2.77Å; T306-N308 PolarHBondContact O-N 2.69Å
309	L	98.8	Very high	97.9	Very high	14 Å²	14	53.7 Å²	53.7	7%	0.073	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	104.9	166.1	179.3	64.5	0	0	0	109	L285 T287 I295 K296 T306 E307	L285-L309 HydrophobicContact CB-CD1 3.65Å; L285-L309 WeakPolarHBondContact O-CA 3.48Å; T287-L309 HydrophobicContact CG2-CD1 3.68Å; T287-L309 HydrophobicContact CG2-CD2 4.03Å; T287-L309 HydrophobicContact CG2-CG 4Å; I295-L309 HydrophobicContact CB-CD2 4.38Å; I295-L309 HydrophobicContact CG2-CD1 3.6Å; I295-L309 HydrophobicContact CG2-CD2 3.92Å; I295-L309 HydrophobicContact CG2-CG 4.44Å; K296-L309 HydrophobicContact CB-CD2 3.71Å; K296-L309 HydrophobicContact CG-CD2 4.21Å; T306-L309 PolarHBondContact O-N 2.76Å; E307-L309 VanDerWaalsContact C-N 3.33Å
310	I	98.9	Very high	97.9	Very high	48 Å²	48	53.9 Å²	53.9	25%	0.246	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	121	179.6	-53.5	-58.1	0	0	0	109.2	V284 L285 F286 T287 K328 V332	V284-I310 HydrophobicContact CG1-CG1 3.55Å; L285-I310 PolarHBondContact O-N 3.42Å; F286-I310 WeakPolarHBondContact CA-O 3.24Å; F286-I310 HydrophobicContact CD1-CB 3.78Å; F286-I310 HydrophobicContact CD1-CG1 4.45Å; F286-I310 HydrophobicContact CD1-CG2 4.16Å; F286-I310 HydrophobicContact CE1-CB 3.99Å; F286-I310 HydrophobicContact CE1-CG1 4.19Å; F286-I310 HydrophobicContact CE1-CG2 4.3Å; T287-I310 PolarHBondContact N-O 2.88Å; T287-I310 VanDerWaalsContact N-O 3.16Å; I310-K328 HydrophobicContact CG2-CB 4.34Å; I310-K328 HydrophobicContact CG2-CD 3.65Å; I310-K328 HydrophobicContact CG2-CG 4.17Å; I310-V332 HydrophobicContact CG1-CG2 4.36Å
311	L	98.8	Very high	97.9	Very high	84 Å²	84	54.4 Å²	54.4	44%	0.44	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	131.5	175.6	-58.3	-176.9	0	0	0	110	T287 E289 K328	T287-L311 HydrophobicContact CG2-CD2 3.73Å; T287-L311 CarbonylContact O-C 3.53Å; T287-L311 VanDerWaalsContact O-CA 3.32Å; T287-L311 WeakPolarHBondContact O-CA 3.5Å; E289-L311 HydrophobicContact CB-CB 4.16Å; L311-K328 PolarHBondContact O-NZ 3.49Å
312	L	98.9	Very high	97.9	Very high	1 Å²	1	52.5 Å²	52.5	1%	0.005	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	137.3	177.9	-58	174.7	0	0	0	110	F286 T287 E289 V320 D324 L325 K328	F286-L312 HydrophobicContact CB-CD1 4.09Å; F286-L312 HydrophobicContact CB-CD2 4.14Å; F286-L312 HydrophobicContact CB-CG 4.17Å; F286-L312 HydrophobicContact CD1-CD2 4.07Å; T287-L312 PolarHBondContact O-N 3.1Å; E289-L312 PolarHBondContact N-O 3.34Å; L312-V320 HydrophobicContact CB-CG1 4.14Å; L312-V320 HydrophobicContact CB-CG2 4.12Å; L312-V320 HydrophobicContact CD1-CG1 3.77Å; L312-V320 HydrophobicContact CD1-CG2 4.12Å; L312-D324 WeakPolarHBondContact CA-OD2 3.34Å; L312-L325 HydrophobicContact CD1-CB 4.15Å; L312-L325 HydrophobicContact CD1-CD1 3.95Å; L312-L325 HydrophobicContact CD1-CG 4.46Å; L312-L325 HydrophobicContact CD2-CB 3.99Å; L312-L325 HydrophobicContact CD2-CD1 3.9Å; L312-K328 HydrophobicContact CD2-CD 3.86Å
313	K	98.6	Very high	97.9	Very high	121 Å²	121	54.7 Å²	54.7	53%	0.526	30%	0.297	S	S	.	.	P	Polyproline II helix	trans	-65.5	147.6	175.9	-68.7	-177	-179.7	176.8	0	110.3	I321 D324	K313-I321 HydrophobicContact CB-CD1 4.31Å; K313-I321 PolarHBondContact O-N 3.46Å; K313-D324 HydrophobicContact CB-CB 4.25Å; K313-D324 WeakPolarHBondContact CD-OD1 3.48Å; K313-D324 PolarHBondContact N-OD2 3.01Å
314	T	98.3	Very high	98	Very high	21 Å²	21	53.5 Å²	53.5	13%	0.129	28%	0.279	C	S	.	.	B	Isolated β-bridge	trans	-112.6	155	176.4	60.3	0	0	0	0	112.9	S288 E289 H290 R319	S288-T314 WeakPolarHBondContact OG-CG2 3.27Å; E289-T314 HydrophobicContact CG-CG2 3.98Å; E289-T314 WeakPolarHBondContact OE1-CB 3.43Å; E289-T314 PolarHBondContact OE1-N 3.07Å; E289-T314 PolarHBondContact OE1-OG1 3.2Å; H290-T314 PolarHBondContact CE1-OG1 3.27Å; H290-T314 PolarHBondContact ND1-OG1 3.47Å; T314-R319 CarbonylContact C-O 3.48Å; T314-R319 WeakPolarHBondContact CA-O 3.16Å; T314-R319 WeakPolarHBondContact CB-O 3.38Å
315	D	96.6	Very high	98	Very high	44 Å²	44	53.1 Å²	53.1	24%	0.235	28%	0.277	C	S	.	.			trans	-72.3	177.1	168.2	72.7	5.8	0	0	0	111.1	R317 G318 R319 I321	D315-R317 PolarHBondContact O-N 3.46Å; D315-R317 VanDerWaalsContact OD1-CA 3.32Å; D315-R317 WeakPolarHBondContact OD1-CA 3.49Å; D315-R317 WeakPolarHBondContact OD1-CB 3.45Å; D315-R317 PolarHBondContact OD1-N 3.14Å; D315-G318 WeakPolarHBondContact O-CA 3.48Å; D315-G318 PolarHBondContact O-N 2.8Å; D315-G318 PolarHBondContact OD1-N 3.25Å; D315-R319 PolarHBondContact N-O 3.12Å; D315-R319 PolarHBondContact OD1-N 2.84Å; D315-R319 IonicContact OD1-NE 2.78Å; D315-R319 IonicContact OD2-CZ 2.94Å; D315-R319 IonicContact OD2-NE 2.69Å; D315-R319 PolarHBondContact OD2-NE 3.44Å; D315-R319 IonicContact OD2-NH2 2.99Å; D315-R319 PolarHBondContact OD2-NH2 3.01Å; D315-I321 HydrophobicContact CB-CG1 4.28Å
316	E	93.7	Very high	98	Very high	172 Å²	172	54.2 Å²	54.2	80%	0.804	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.3	-18.2	179.3	-62.8	-173.3	170.2	0	0	113.8	G318	E316-G318 VanDerWaalsContact C-N 3.34Å
317	R	94.4	Very high	98	Very high	74 Å²	74	53.4 Å²	53.4	28%	0.279	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.8	-1.1	176.5	-51	-173.3	68.9	-172.4	2.5	112.2	D315 R319 A353 S507 E508	D315-R317 PolarHBondContact O-N 3.46Å; D315-R317 VanDerWaalsContact OD1-CA 3.32Å; D315-R317 WeakPolarHBondContact OD1-CA 3.49Å; D315-R317 WeakPolarHBondContact OD1-CB 3.45Å; D315-R317 PolarHBondContact OD1-N 3.14Å; R317-R319 HydrophobicContact CB-CG 4.26Å; R317-A353 VanDerWaalsContact O-CB 3.24Å; R317-A353 WeakPolarHBondContact O-CB 3.44Å; R317-S507 WeakPolarHBondContact CG-OG 3.5Å; R317-S507 PolarHBondContact NE-OG 3.19Å; R317-E508 PolarHBondContact NH2-O 3.08Å
318	G	96.5	Very high	98.1	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	25%	0.247	C	C	.	.	S	Bend	trans	77.9	22.2	-179.1	0	0	0	0	0	114.4	D315 E316	D315-G318 WeakPolarHBondContact O-CA 3.48Å; D315-G318 PolarHBondContact O-N 2.8Å; D315-G318 PolarHBondContact OD1-N 3.25Å; E316-G318 VanDerWaalsContact C-N 3.34Å
319	R	98.2	Very high	98.1	Very high	74 Å²	74	46.7 Å²	46.7	28%	0.279	24%	0.241	S	C	.	.			trans	-96.8	141.5	176.1	-52.2	179.3	-64.8	168.5	3.7	110.2	T314 D315 R317 I321 A353 F354 D355	T314-R319 CarbonylContact C-O 3.48Å; T314-R319 WeakPolarHBondContact CA-O 3.16Å; T314-R319 WeakPolarHBondContact CB-O 3.38Å; D315-R319 PolarHBondContact N-O 3.12Å; D315-R319 PolarHBondContact OD1-N 2.84Å; D315-R319 IonicContact OD1-NE 2.78Å; D315-R319 IonicContact OD2-CZ 2.94Å; D315-R319 IonicContact OD2-NE 2.69Å; D315-R319 PolarHBondContact OD2-NE 3.44Å; D315-R319 IonicContact OD2-NH2 2.99Å; D315-R319 PolarHBondContact OD2-NH2 3.01Å; R317-R319 HydrophobicContact CB-CG 4.26Å; R319-I321 PolarHBondContact O-N 3.26Å; R319-A353 HydrophobicContact CG-CB 4.25Å; R319-F354 WeakPolarHBondContact CD-O 3.44Å; R319-F354 VanDerWaalsContact CG-O 3.22Å; R319-F354 WeakPolarHBondContact CG-O 3.5Å; R319-D355 WeakPolarHBondContact CA-OD1 3.21Å
320	V	98.8	Very high	98.1	Very high	3 Å²	3	50 Å²	50	2%	0.018	26%	0.258	C	S	.	.	B	Isolated β-bridge	trans	-53.4	136	175.8	166.7	0	0	0	0	111.1	L312 P322 D355 P356 I360	L312-V320 HydrophobicContact CB-CG1 4.14Å; L312-V320 HydrophobicContact CB-CG2 4.12Å; L312-V320 HydrophobicContact CD1-CG1 3.77Å; L312-V320 HydrophobicContact CD1-CG2 4.12Å; V320-P322 WeakPolarHBondContact O-CD 3.32Å; V320-D355 HydrophobicContact CB-CB 4.46Å; V320-D355 WeakPolarHBondContact CG2-OD1 3.37Å; V320-D355 WeakPolarHBondContact CG2-OD2 3.48Å; V320-D355 PolarHBondContact N-OD1 2.68Å; V320-P356 WeakPolarHBondContact O-CD 3.23Å; V320-P356 WeakPolarHBondContact O-CG 3.41Å; V320-I360 HydrophobicContact CB-CD1 4.15Å; V320-I360 HydrophobicContact CG1-CD1 4.07Å; V320-I360 HydrophobicContact CG1-CG1 4.48Å
321	I	98.9	Very high	98.1	Very high	64 Å²	64	52 Å²	52	33%	0.328	27%	0.266	S	S	.	.			trans	-86.2	110.8	170.8	-61.1	169	0	0	0	108.2	K313 D315 R319 A323 D324 L325	K313-I321 HydrophobicContact CB-CD1 4.31Å; K313-I321 PolarHBondContact O-N 3.46Å; D315-I321 HydrophobicContact CB-CG1 4.28Å; R319-I321 PolarHBondContact O-N 3.26Å; I321-A323 VanDerWaalsContact C-N 3.26Å; I321-A323 HydrophobicContact CG2-CB 4.28Å; I321-A323 PolarHBondContact O-N 3.37Å; I321-D324 HydrophobicContact CB-CB 4.24Å; I321-D324 HydrophobicContact CG2-CB 4.41Å; I321-D324 WeakPolarHBondContact O-CB 3.48Å; I321-D324 PolarHBondContact O-N 3.33Å; I321-L325 PolarHBondContact O-N 3.44Å
322	P	98.8	Very high	98.1	Very high	35 Å²	35	48.3 Å²	48.3	23%	0.227	25%	0.247	C	C	.	.	H	α-helix	trans	-58.6	-34.1	-175.2	-27.3	36.8	0	0	0	114	V320 D324 L325 E326 P356 E359 I363	V320-P322 WeakPolarHBondContact O-CD 3.32Å; P322-D324 VanDerWaalsContact C-N 3.29Å; P322-D324 PolarHBondContact O-N 3.41Å; P322-L325 WeakPolarHBondContact O-CB 3.19Å; P322-L325 PolarHBondContact O-N 2.83Å; P322-E326 PolarHBondContact O-N 3.15Å; P322-P356 HydrophobicContact CG-CB 4.48Å; P322-P356 HydrophobicContact CG-CG 3.68Å; P322-E359 HydrophobicContact CB-CB 4.13Å; P322-E359 HydrophobicContact CG-CB 3.72Å; P322-I363 HydrophobicContact CB-CD1 3.77Å; P322-I363 VanDerWaalsContact O-CD1 3.29Å; P322-I363 WeakPolarHBondContact O-CD1 3.39Å
323	A	98.8	Very high	98	Very high	69 Å²	69	53.5 Å²	53.5	57%	0.57	27%	0.269	S	S	*	.	H	α-helix	trans	-62.9	-32.8	176.1	0	0	0	0	0	113.1	I321 A327	I321-A323 VanDerWaalsContact C-N 3.26Å; I321-A323 HydrophobicContact CG2-CB 4.28Å; I321-A323 PolarHBondContact O-N 3.37Å; A323-A327 WeakPolarHBondContact O-CB 3.42Å; A323-A327 PolarHBondContact O-N 2.86Å
324	D	98.9	Very high	98	Very high	23 Å²	23	55.5 Å²	55.5	12%	0.123	28%	0.281	C	S	.	.	H	α-helix	trans	-71.4	-36.1	175.7	-177.8	77	0	0	0	111.2	L312 K313 I321 P322 K328	L312-D324 WeakPolarHBondContact CA-OD2 3.34Å; K313-D324 HydrophobicContact CB-CB 4.25Å; K313-D324 WeakPolarHBondContact CD-OD1 3.48Å; K313-D324 PolarHBondContact N-OD2 3.01Å; I321-D324 HydrophobicContact CB-CB 4.24Å; I321-D324 HydrophobicContact CG2-CB 4.41Å; I321-D324 WeakPolarHBondContact O-CB 3.48Å; I321-D324 PolarHBondContact O-N 3.33Å; P322-D324 VanDerWaalsContact C-N 3.29Å; P322-D324 PolarHBondContact O-N 3.41Å; D324-K328 WeakPolarHBondContact O-CB 3.47Å; D324-K328 WeakPolarHBondContact O-CG 3.34Å; D324-K328 PolarHBondContact O-N 3.39Å; D324-K328 IonicContact OD1-NZ 3.73Å; D324-K328 PolarHBondContact OD1-NZ 3.4Å; D324-K328 WeakPolarHBondContact OD2-CD 3.26Å; D324-K328 WeakPolarHBondContact OD2-CE 3.39Å; D324-K328 IonicContact OD2-NZ 3.25Å; D324-K328 PolarHBondContact OD2-NZ 3.14Å
325	L	98.9	Very high	98	Very high	0 Å²	0	60 Å²	60	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-59.8	-51.8	171.6	170.5	60.7	0	0	0	111.2	F286 L312 I321 P322 A327 K328 I329 V342 I360 I363	F286-L325 HydrophobicContact CB-CD1 3.96Å; F286-L325 HydrophobicContact CD1-CD1 4.22Å; F286-L325 HydrophobicContact CD2-CD1 4.4Å; F286-L325 HydrophobicContact CG-CD1 3.93Å; L312-L325 HydrophobicContact CD1-CB 4.15Å; L312-L325 HydrophobicContact CD1-CD1 3.95Å; L312-L325 HydrophobicContact CD1-CG 4.46Å; L312-L325 HydrophobicContact CD2-CB 3.99Å; L312-L325 HydrophobicContact CD2-CD1 3.9Å; I321-L325 PolarHBondContact O-N 3.44Å; P322-L325 WeakPolarHBondContact O-CB 3.19Å; P322-L325 PolarHBondContact O-N 2.83Å; L325-A327 PolarHBondContact O-N 3.14Å; L325-K328 PolarHBondContact O-N 3.16Å; L325-I329 HydrophobicContact CD1-CD1 3.67Å; L325-I329 HydrophobicContact CD1-CG1 4.04Å; L325-I329 HydrophobicContact CG-CD1 3.84Å; L325-I329 WeakPolarHBondContact O-CG1 3.43Å; L325-I329 PolarHBondContact O-N 3.07Å; L325-V342 HydrophobicContact CD1-CG2 3.79Å; L325-V342 HydrophobicContact CD2-CG1 4.15Å; L325-V342 HydrophobicContact CD2-CG2 4.3Å; L325-I360 HydrophobicContact CD2-CB 4.47Å; L325-I360 HydrophobicContact CD2-CG1 4.28Å; L325-I360 HydrophobicContact CD2-CG2 3.96Å; L325-I363 HydrophobicContact CD2-CB 4.37Å; L325-I363 HydrophobicContact CD2-CD1 4.17Å; L325-I363 HydrophobicContact CD2-CG2 4.11Å; L325-I363 HydrophobicContact CG-CD1 4.47Å; L325-I363 HydrophobicContact CG-CG2 4.17Å
326	E	98.8	Very high	98.1	Very high	54 Å²	54	60.7 Å²	60.7	25%	0.252	32%	0.316	S	S	.	.	H	α-helix	trans	-62.5	-42.6	-179.1	-172.7	166.4	-138.2	0	0	111.9	P322 K328 I329 M330 I363 K366 Y367	P322-E326 PolarHBondContact O-N 3.15Å; E326-K328 PolarHBondContact O-N 3.41Å; E326-I329 PolarHBondContact O-N 2.86Å; E326-M330 HydrophobicContact CG-CE 4.36Å; E326-M330 WeakPolarHBondContact O-CG 3.21Å; E326-M330 PolarHBondContact O-N 3.35Å; E326-M330 VanDerWaalsContact O-N 3.08Å; E326-I363 HydrophobicContact CB-CD1 4.24Å; E326-I363 HydrophobicContact CB-CG2 4.47Å; E326-K366 IonicContact OE1-NZ 2.64Å; E326-K366 PolarHBondContact OE1-NZ 3.09Å; E326-Y367 HydrophobicContact CG-CE2 3.94Å; E326-Y367 PolarHBondContact OE1-OH 3.41Å
327	A	98.9	Very high	98.3	Very high	48 Å²	48	55.9 Å²	55.9	40%	0.397	29%	0.291	S	S	.	.	H	α-helix	trans	-58.7	-45.3	175.2	0	0	0	0	0	112.4	A323 L325 M330 E331	A323-A327 WeakPolarHBondContact O-CB 3.42Å; A323-A327 PolarHBondContact O-N 2.86Å; L325-A327 PolarHBondContact O-N 3.14Å; A327-M330 WeakPolarHBondContact O-CB 3.23Å; A327-M330 PolarHBondContact O-N 3.34Å; A327-E331 PolarHBondContact O-N 2.81Å
328	K	98.9	Very high	98.5	Very high	31 Å²	31	54.6 Å²	54.6	14%	0.135	29%	0.291	C	S	.	.	H	α-helix	trans	-69.9	-34.2	179.7	-77.7	167.7	168.4	163.3	0	113.2	F286 I310 L311 L312 D324 L325 E326 M330 E331 V332	F286-K328 HydrophobicContact CD1-CB 4.3Å; F286-K328 HydrophobicContact CE1-CB 3.91Å; I310-K328 HydrophobicContact CG2-CB 4.34Å; I310-K328 HydrophobicContact CG2-CD 3.65Å; I310-K328 HydrophobicContact CG2-CG 4.17Å; L311-K328 PolarHBondContact O-NZ 3.49Å; L312-K328 HydrophobicContact CD2-CD 3.86Å; D324-K328 WeakPolarHBondContact O-CB 3.47Å; D324-K328 WeakPolarHBondContact O-CG 3.34Å; D324-K328 PolarHBondContact O-N 3.39Å; D324-K328 IonicContact OD1-NZ 3.73Å; D324-K328 PolarHBondContact OD1-NZ 3.4Å; D324-K328 WeakPolarHBondContact OD2-CD 3.26Å; D324-K328 WeakPolarHBondContact OD2-CE 3.39Å; D324-K328 IonicContact OD2-NZ 3.25Å; D324-K328 PolarHBondContact OD2-NZ 3.14Å; L325-K328 PolarHBondContact O-N 3.16Å; E326-K328 PolarHBondContact O-N 3.41Å; K328-M330 VanDerWaalsContact C-N 3.32Å; K328-E331 PolarHBondContact O-N 3.38Å; K328-V332 WeakPolarHBondContact O-CB 3.2Å; K328-V332 WeakPolarHBondContact O-CG2 3.36Å; K328-V332 PolarHBondContact O-N 3Å
329	I	98.9	Very high	98.6	Very high	0 Å²	0	55.3 Å²	55.3	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-59.4	-46.5	170.6	-73.3	164.2	0	0	0	109.9	F286 L325 E326 V332 K333 P339 I363 Y367 I369	F286-I329 HydrophobicContact CE1-CG1 4.36Å; F286-I329 HydrophobicContact CE2-CG1 4.03Å; F286-I329 HydrophobicContact CZ-CG1 3.9Å; L325-I329 HydrophobicContact CD1-CD1 3.67Å; L325-I329 HydrophobicContact CD1-CG1 4.04Å; L325-I329 HydrophobicContact CG-CD1 3.84Å; L325-I329 WeakPolarHBondContact O-CG1 3.43Å; L325-I329 PolarHBondContact O-N 3.07Å; E326-I329 PolarHBondContact O-N 2.86Å; I329-V332 PolarHBondContact O-N 3.3Å; I329-K333 HydrophobicContact CG2-CD 4.16Å; I329-K333 WeakPolarHBondContact O-CG 3.24Å; I329-K333 PolarHBondContact O-N 3.32Å; I329-P339 HydrophobicContact CG1-CB 4.49Å; I329-P339 HydrophobicContact CG2-CB 4.44Å; I329-P339 HydrophobicContact CG2-CG 4.15Å; I329-I363 HydrophobicContact CD1-CG2 3.58Å; I329-Y367 HydrophobicContact CD1-CD2 4.26Å; I329-Y367 HydrophobicContact CG2-CD1 3.81Å; I329-Y367 HydrophobicContact CG2-CD2 4.16Å; I329-Y367 HydrophobicContact CG2-CE1 4.09Å; I329-Y367 HydrophobicContact CG2-CE2 4.46Å; I329-Y367 HydrophobicContact CG2-CG 3.85Å; I329-I369 HydrophobicContact CD1-CD1 3.5Å; I329-I369 HydrophobicContact CG1-CD1 3.86Å; I329-I369 HydrophobicContact CG2-CD1 4.23Å
330	M	98.7	Very high	98.6	Very high	84 Å²	84	52 Å²	52	41%	0.414	28%	0.284	S	S	.	.	H	α-helix	trans	-62.6	-44.9	178.2	-68.7	-172.3	-70.7	0	0	112.1	E326 A327 K328 V332 K333 Q334	E326-M330 HydrophobicContact CG-CE 4.36Å; E326-M330 WeakPolarHBondContact O-CG 3.21Å; E326-M330 PolarHBondContact O-N 3.35Å; E326-M330 VanDerWaalsContact O-N 3.08Å; A327-M330 WeakPolarHBondContact O-CB 3.23Å; A327-M330 PolarHBondContact O-N 3.34Å; K328-M330 VanDerWaalsContact C-N 3.32Å; M330-V332 PolarHBondContact O-N 3Å; M330-K333 PolarHBondContact O-N 3.09Å; M330-Q334 VanDerWaalsContact O-CG 3.29Å; M330-Q334 WeakPolarHBondContact O-CG 3.32Å; M330-Q334 PolarHBondContact O-N 2.66Å
331	E	98.6	Very high	98.6	Very high	90 Å²	90	51.9 Å²	51.9	42%	0.421	28%	0.283	S	S	.	.	H	α-helix	trans	-59.6	-45	177.3	-171.8	-168.1	157.9	0	0	112.1	A327 K328 Q334 K335	A327-E331 PolarHBondContact O-N 2.81Å; K328-E331 PolarHBondContact O-N 3.38Å; E331-Q334 PolarHBondContact O-N 3.13Å; E331-K335 WeakPolarHBondContact O-CG 3.31Å; E331-K335 PolarHBondContact O-N 2.73Å; E331-K335 WeakPolarHBondContact OE1-CE 3.48Å; E331-K335 IonicContact OE1-NZ 2.64Å; E331-K335 PolarHBondContact OE1-NZ 3.17Å
332	V	98.3	Very high	98.6	Very high	7 Å²	7	48.8 Å²	48.8	4%	0.042	27%	0.267	C	S	.	.	H	α-helix	trans	-62.6	-44.4	178.3	164.9	0	0	0	0	110.9	V284 F286 I310 K328 I329 M330 Q334 K335 Y337 P339	V284-V332 HydrophobicContact CB-CG1 3.76Å; V284-V332 HydrophobicContact CG1-CG1 4.03Å; V284-V332 HydrophobicContact CG1-CG2 3.91Å; V284-V332 HydrophobicContact CG2-CG1 3.74Å; F286-V332 HydrophobicContact CE1-CG2 4.1Å; F286-V332 HydrophobicContact CZ-CB 4.3Å; F286-V332 HydrophobicContact CZ-CG1 4.41Å; F286-V332 HydrophobicContact CZ-CG2 3.96Å; I310-V332 HydrophobicContact CG1-CG2 4.36Å; K328-V332 WeakPolarHBondContact O-CB 3.2Å; K328-V332 WeakPolarHBondContact O-CG2 3.36Å; K328-V332 PolarHBondContact O-N 3Å; I329-V332 PolarHBondContact O-N 3.3Å; M330-V332 PolarHBondContact O-N 3Å; V332-Q334 PolarHBondContact O-N 3.24Å; V332-K335 PolarHBondContact O-N 3.02Å; V332-Y337 WeakPolarHBondContact O-CB 3.23Å; V332-Y337 PolarHBondContact O-N 2.64Å; V332-Y337 VanDerWaalsContact O-N 3.09Å; V332-P339 HydrophobicContact CG1-CB 4.37Å
333	K	98.5	Very high	98.6	Very high	110 Å²	110	47.2 Å²	47.2	48%	0.478	26%	0.257	S	S	.	.	H	α-helix	trans	-65	-38	176.9	-70	-177.2	74	157.2	0	112.2	I329 M330 K335 G336 P339	I329-K333 HydrophobicContact CG2-CD 4.16Å; I329-K333 WeakPolarHBondContact O-CG 3.24Å; I329-K333 PolarHBondContact O-N 3.32Å; M330-K333 PolarHBondContact O-N 3.09Å; K333-K335 PolarHBondContact O-N 3.04Å; K333-G336 PolarHBondContact O-N 3.27Å; K333-P339 HydrophobicContact CD-CG 4.02Å; K333-P339 HydrophobicContact CG-CG 3.77Å
334	Q	98.3	Very high	98.6	Very high	163 Å²	163	43.9 Å²	43.9	76%	0.762	23%	0.23	S	C	*	.	H	α-helix	trans	-62.1	-31.1	175.4	-74.7	171.1	6.7	0	0	112.6	M330 E331 V332 G336	M330-Q334 VanDerWaalsContact O-CG 3.29Å; M330-Q334 WeakPolarHBondContact O-CG 3.32Å; M330-Q334 PolarHBondContact O-N 2.66Å; E331-Q334 PolarHBondContact O-N 3.13Å; V332-Q334 PolarHBondContact O-N 3.24Å; Q334-G336 PolarHBondContact O-N 3.33Å
335	K	98.2	Very high	98.6	Very high	114 Å²	114	43 Å²	43	50%	0.496	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.7	0.4	173.5	-66	174.2	-172.7	171.2	0	113.7	E331 V332 K333 Y337	E331-K335 WeakPolarHBondContact O-CG 3.31Å; E331-K335 PolarHBondContact O-N 2.73Å; E331-K335 WeakPolarHBondContact OE1-CE 3.48Å; E331-K335 IonicContact OE1-NZ 2.64Å; E331-K335 PolarHBondContact OE1-NZ 3.17Å; V332-K335 PolarHBondContact O-N 3.02Å; K333-K335 PolarHBondContact O-N 3.04Å; K335-Y337 VanDerWaalsContact C-N 3.28Å; K335-Y337 HydrophobicContact CB-CD1 4.26Å; K335-Y337 HydrophobicContact CB-CD2 4Å; K335-Y337 HydrophobicContact CB-CE1 4.2Å; K335-Y337 HydrophobicContact CB-CE2 3.96Å; K335-Y337 HydrophobicContact CB-CG 4.14Å; K335-Y337 HydrophobicContact CD-CD2 4.43Å; K335-Y337 HydrophobicContact CD-CE2 4.01Å; K335-Y337 WeakPolarHBondContact O-CD1 3.2Å; K335-Y337 WeakPolarHBondContact O-CE1 3.4Å; K335-Y337 PolarHBondContact O-N 3.43Å
336	G	98.1	Very high	98.6	Very high	60 Å²	60	43 Å²	43	62%	0.619	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	75.2	14.5	-175.3	0	0	0	0	0	114	K333 Q334	K333-G336 PolarHBondContact O-N 3.27Å; Q334-G336 PolarHBondContact O-N 3.33Å
337	Y	98.5	Very high	98.6	Very high	71 Å²	71	40.6 Å²	40.6	28%	0.278	22%	0.215	S	C	.	.			trans	-90.2	159.5	177.5	-56.8	-12.9	0	0	0	110.5	R282 V284 V332 K335 P339	R282-Y337 HydrophobicContact CB-CD1 3.83Å; R282-Y337 HydrophobicContact CB-CE1 4.32Å; R282-Y337 HydrophobicContact CB-CG 4.2Å; R282-Y337 HydrophobicContact CG-CD1 4.1Å; R282-Y337 HydrophobicContact CG-CD2 4.44Å; R282-Y337 HydrophobicContact CG-CE1 4.36Å; R282-Y337 HydrophobicContact CG-CG 4.16Å; R282-Y337 PolarHBondContact NH1-OH 3.2Å; R282-Y337 VanDerWaalsContact NH1-OH 3.1Å; V284-Y337 HydrophobicContact CG2-CD2 4.16Å; V284-Y337 HydrophobicContact CG2-CG 4.44Å; V332-Y337 WeakPolarHBondContact O-CB 3.23Å; V332-Y337 PolarHBondContact O-N 2.64Å; V332-Y337 VanDerWaalsContact O-N 3.09Å; K335-Y337 VanDerWaalsContact C-N 3.28Å; K335-Y337 HydrophobicContact CB-CD1 4.26Å; K335-Y337 HydrophobicContact CB-CD2 4Å; K335-Y337 HydrophobicContact CB-CE1 4.2Å; K335-Y337 HydrophobicContact CB-CE2 3.96Å; K335-Y337 HydrophobicContact CB-CG 4.14Å; K335-Y337 HydrophobicContact CD-CD2 4.43Å; K335-Y337 HydrophobicContact CD-CE2 4.01Å; K335-Y337 WeakPolarHBondContact O-CD1 3.2Å; K335-Y337 WeakPolarHBondContact O-CE1 3.4Å; K335-Y337 PolarHBondContact O-N 3.43Å; Y337-P339 WeakPolarHBondContact O-CD 3.39Å
338	V	98.7	Very high	98.6	Very high	46 Å²	46	38.4 Å²	38.4	28%	0.279	20%	0.196	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	108.5	-175.9	179.7	0	0	0	0	110.5	F269 P281 R282 L283 V284 M340	F269-V338 HydrophobicContact CE2-CG1 4.18Å; F269-V338 HydrophobicContact CZ-CG1 4.11Å; P281-V338 HydrophobicContact CB-CG2 3.99Å; P281-V338 HydrophobicContact CG-CB 4.35Å; P281-V338 HydrophobicContact CG-CG2 3.52Å; R282-V338 PolarHBondContact O-N 3.3Å; L283-V338 CarbonylContact C-O 3.59Å; L283-V338 WeakPolarHBondContact CA-O 3.47Å; L283-V338 HydrophobicContact CD2-CB 3.92Å; L283-V338 HydrophobicContact CD2-CG1 4.21Å; V284-V338 PolarHBondContact N-O 3.1Å; V338-M340 PolarHBondContact O-N 3.13Å
339	P	98.6	Very high	98.6	Very high	16 Å²	16	38.7 Å²	38.7	10%	0.104	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	124.3	169.7	30.8	-33.8	0	0	0	109.1	F286 I329 V332 K333 Y337 I369	F286-P339 HydrophobicContact CE2-CB 3.49Å; F286-P339 VanDerWaalsContact CE2-CB 3.49Å; F286-P339 HydrophobicContact CZ-CB 3.89Å; I329-P339 HydrophobicContact CG1-CB 4.49Å; I329-P339 HydrophobicContact CG2-CB 4.44Å; I329-P339 HydrophobicContact CG2-CG 4.15Å; V332-P339 HydrophobicContact CG1-CB 4.37Å; K333-P339 HydrophobicContact CD-CG 4.02Å; K333-P339 HydrophobicContact CG-CG 3.77Å; Y337-P339 WeakPolarHBondContact O-CD 3.39Å; P339-I369 HydrophobicContact CB-CD1 3.83Å; P339-I369 HydrophobicContact CB-CG1 4.37Å; P339-I369 HydrophobicContact CG-CD1 4.19Å
340	M	98.1	Very high	98.6	Very high	4 Å²	4	40 Å²	40	2%	0.02	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	-31.1	-170.9	-174.7	-165.5	72.4	0	0	113.5	A264 R265 F269 L283 V284 F304 V338 W370	A264-M340 HydrophobicContact CB-CE 4.26Å; R265-M340 VanDerWaalsContact CA-SD 3.58Å; R265-M340 HydrophobicContact CB-CE 4.01Å; R265-M340 HydrophobicContact CB-SD 4.15Å; R265-M340 HydrophobicContact CG-SD 4.46Å; F269-M340 HydrophobicContact CD2-SD 4.33Å; L283-M340 HydrophobicContact CD1-SD 3.78Å; V284-M340 PolarHBondContact O-N 3.5Å; F304-M340 HydrophobicContact CE1-CE 3.89Å; F304-M340 HydrophobicContact CZ-CE 3.89Å; V338-M340 PolarHBondContact O-N 3.13Å; M340-W370 WeakPolarHBondContact O-CB 3.44Å; M340-W370 PolarHBondContact O-N 2.99Å
341	F	98.9	Very high	98.6	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	134.8	-168.8	176.3	-87.2	0	0	0	111.9	V261 A264 L285 F286 I295 N343 W370 H372	V261-F341 HydrophobicContact CG2-CD1 4.39Å; V261-F341 HydrophobicContact CG2-CD2 4.48Å; V261-F341 HydrophobicContact CG2-CE1 3.93Å; V261-F341 HydrophobicContact CG2-CE2 4.04Å; V261-F341 HydrophobicContact CG2-CZ 3.74Å; A264-F341 HydrophobicContact CB-CD2 3.69Å; A264-F341 HydrophobicContact CB-CE2 4.45Å; L285-F341 CarbonylContact C-O 3.45Å; L285-F341 WeakPolarHBondContact CA-O 3.38Å; L285-F341 HydrophobicContact CB-CB 4.47Å; L285-F341 HydrophobicContact CB-CD1 4.16Å; L285-F341 HydrophobicContact CD2-CB 4.3Å; L285-F341 HydrophobicContact CD2-CD1 3.84Å; L285-F341 HydrophobicContact CD2-CE1 4.43Å; L285-F341 HydrophobicContact CD2-CG 4.23Å; L285-F341 HydrophobicContact CG-CB 4.16Å; L285-F341 HydrophobicContact CG-CD1 4.28Å; F286-F341 WeakPolarHBondContact CD2-O 3.42Å; F286-F341 PolarHBondContact N-O 3.2Å; I295-F341 HydrophobicContact CD1-CE1 4.44Å; F341-N343 HydrophobicContact CE1-CB 3.69Å; F341-N343 HydrophobicContact CZ-CB 4.21Å; F341-W370 WeakPolarHBondContact CA-O 3.34Å; F341-W370 HydrophobicContact CD2-CB 4.42Å; F341-W370 AromaticContact CD2-CD1 3.49Å; F341-W370 VanDerWaalsContact CD2-CD1 3.49Å; F341-W370 HydrophobicContact CD2-CG 4.22Å; F341-W370 AromaticContact CE2-CD1 3.71Å; F341-H372 HydrophobicContact CD2-CB 4.44Å; F341-H372 HydrophobicContact CE1-CB 4.44Å; F341-H372 HydrophobicContact CE2-CB 3.43Å; F341-H372 VanDerWaalsContact CE2-CB 3.43Å; F341-H372 HydrophobicContact CZ-CB 3.43Å; F341-H372 VanDerWaalsContact CZ-CB 3.43Å; F341-H372 AromaticContact CZ-CD2 3.93Å; F341-H372 AromaticContact CZ-CG 3.89Å
342	V	98.9	Very high	98.6	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	126.4	169.9	174.6	0	0	0	0	109	F286 L325 I360 I369 W370 L371 H372	F286-V342 HydrophobicContact CB-CG2 4.03Å; F286-V342 HydrophobicContact CD2-CG2 3.98Å; F286-V342 HydrophobicContact CG-CG2 4.36Å; F286-V342 WeakPolarHBondContact O-CA 3.19Å; L325-V342 HydrophobicContact CD1-CG2 3.79Å; L325-V342 HydrophobicContact CD2-CG1 4.15Å; L325-V342 HydrophobicContact CD2-CG2 4.3Å; V342-I360 HydrophobicContact CG1-CG2 3.66Å; V342-I369 HydrophobicContact CB-CG2 4.37Å; V342-I369 HydrophobicContact CG2-CG2 3.7Å; V342-W370 PolarHBondContact N-O 3.23Å; V342-L371 HydrophobicContact CG1-CD1 4.49Å; V342-H372 PolarHBondContact O-N 2.87Å
343	N	98.9	Very high	98.6	Very high	1 Å²	1	31.9 Å²	31.9	1%	0.005	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	112.6	166.5	170.3	62.9	0	0	0	110.2	F286 T287 I295 F341 T345 H372 D374	F286-N343 PolarHBondContact O-N 3.43Å; T287-N343 PolarHBondContact OG1-ND2 3.08Å; I295-N343 HydrophobicContact CD1-CB 4.11Å; I295-N343 HydrophobicContact CG1-CB 4.23Å; F341-N343 HydrophobicContact CE1-CB 3.69Å; F341-N343 HydrophobicContact CZ-CB 4.21Å; N343-T345 PolarHBondContact ND2-OG1 2.77Å; N343-H372 WeakPolarHBondContact CA-O 3.46Å; N343-H372 PolarHBondContact OD1-CD2 2.8Å; N343-D374 WeakPolarHBondContact OD1-CB 3.36Å
344	A	98.9	Very high	98.6	Very high	0 Å²	0	27 Å²	27	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	125.9	165.4	0	0	0	0	0	109.2	D355 I357 I360 L371 H372 V373 D374	A344-D355 HydrophobicContact CB-CB 4.24Å; A344-I357 HydrophobicContact CB-CG1 4.49Å; A344-I360 HydrophobicContact CB-CD1 3.88Å; A344-I360 HydrophobicContact CB-CG2 4.4Å; A344-L371 HydrophobicContact CB-CD1 4.07Å; A344-H372 PolarHBondContact N-O 3.47Å; A344-V373 HydrophobicContact CB-CG2 4.45Å; A344-V373 CarbonylContact O-C 3.56Å; A344-V373 VanDerWaalsContact O-CA 3.28Å; A344-V373 WeakPolarHBondContact O-CA 3.45Å; A344-D374 PolarHBondContact O-N 3.39Å
345	T	98.9	Very high	98.6	Very high	4 Å²	4	19.3 Å²	19.3	3%	0.025	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	119.5	-178.6	-51.5	0	0	0	0	110.6	S291 N343 G347 T348 D355	S291-T345 WeakPolarHBondContact CB-OG1 3.25Å; N343-T345 PolarHBondContact ND2-OG1 2.77Å; T345-G347 PolarHBondContact O-N 2.74Å; T345-T348 HydrophobicContact CG2-CG2 3.79Å; T345-D355 PolarHBondContact N-OD2 3.15Å; T345-D355 PolarHBondContact O-N 3.12Å
346	A	98.8	Very high	98.6	Very high	0 Å²	0	15 Å²	15	0%	0	10%	0.096	C	C	.	.	B	Isolated β-bridge	trans	-98	85.8	173.5	0	0	0	0	0	109.6	F354 I357 V373 D374 G378 L391	A346-F354 HydrophobicContact CB-CD1 3.96Å; A346-F354 HydrophobicContact CB-CE1 4.1Å; A346-I357 HydrophobicContact CB-CD1 4.42Å; A346-V373 HydrophobicContact CB-CG1 3.72Å; A346-D374 PolarHBondContact N-O 3.17Å; A346-G378 WeakPolarHBondContact O-CA 3.11Å; A346-G378 PolarHBondContact O-N 3.48Å; A346-L391 HydrophobicContact CB-CD2 3.69Å; A346-L391 HydrophobicContact CB-CG 4.07Å
347	G	98.6	Very high	98.7	Very high	4 Å²	4	12.3 Å²	12.3	4%	0.041	7%	0.067	C	C	.	.	S	Bend	trans	96.5	83.1	-174.9	0	0	0	0	0	111.9	T345 A353	T345-G347 PolarHBondContact O-N 2.74Å; G347-A353 CarbonylContact C-O 3.47Å; G347-A353 WeakPolarHBondContact CA-O 3.16Å; G347-A353 PolarHBondContact N-O 3.23Å
348	T	98.8	Very high	98.7	Very high	1 Å²	1	11.5 Å²	11.5	1%	0.006	7%	0.068	C	C	.	.			trans	-62.1	151.7	176.1	61.1	0	0	0	0	111.8	H290 T345 V350 G352 A353	H290-T348 HydrophobicContact CB-CG2 4.31Å; T345-T348 HydrophobicContact CG2-CG2 3.79Å; T348-V350 VanDerWaalsContact C-N 3.27Å; T348-V350 PolarHBondContact O-N 3.21Å; T348-G352 WeakPolarHBondContact O-CA 3.32Å; T348-G352 PolarHBondContact O-N 2.98Å; T348-G352 PolarHBondContact OG1-N 2.79Å; T348-A353 HydrophobicContact CG2-CB 4.12Å; T348-A353 PolarHBondContact N-O 3.09Å; T348-A353 WeakPolarHBondContact OG1-CB 3.29Å; T348-A353 PolarHBondContact OG1-N 2.63Å
349	T	98.3	Very high	98.7	Very high	38 Å²	38	14 Å²	14	23%	0.233	8%	0.077	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-32.8	-173.5	-67.5	0	0	0	0	112.8	L192 N513 R568	L192-T349 HydrophobicContact CD1-CG2 4.19Å; T349-N513 PolarHBondContact O-ND2 2.93Å; T349-N513 VanDerWaalsContact O-ND2 3.12Å; T349-R568 VanDerWaalsContact CG2-NH1 3.34Å; T349-R568 VanDerWaalsContact O-CD 3.3Å; T349-R568 WeakPolarHBondContact O-CD 3.3Å; T349-R568 PolarHBondContact O-NH1 2.91Å
350	V	98.4	Very high	98.7	Very high	28 Å²	28	13.3 Å²	13.3	17%	0.17	7%	0.072	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94	-68.6	-175.7	179.9	0	0	0	0	111.4	T348 G352 N513 C515 Q558 Q560 F566 R568	T348-V350 VanDerWaalsContact C-N 3.27Å; T348-V350 PolarHBondContact O-N 3.21Å; V350-G352 VanDerWaalsContact C-N 3.33Å; V350-G352 PolarHBondContact O-N 3.13Å; V350-N513 WeakPolarHBondContact O-CB 3.45Å; V350-N513 PolarHBondContact O-ND2 2.96Å; V350-C515 PolarHBondContact O-SG 3.26Å; V350-C515 VanDerWaalsContact O-SG 3.37Å; V350-Q558 HydrophobicContact CG2-CG 4.32Å; V350-Q560 VanDerWaalsContact CB-OE1 3.3Å; V350-F566 HydrophobicContact CG1-CE2 3.6Å; V350-F566 HydrophobicContact CG1-CZ 3.7Å; V350-R568 WeakPolarHBondContact O-CD 3.4Å; V350-R568 WeakPolarHBondContact O-CG 3.45Å
351	Y	98.4	Very high	98.8	Very high	7 Å²	7	13.2 Å²	13.2	3%	0.027	7%	0.072	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.1	-14.9	-176.8	-64.9	-12.5	0	0	0	114.2	A353 V504 F505 C515 Q560 K563 F566	Y351-A353 PolarHBondContact O-N 3.44Å; Y351-V504 HydrophobicContact CE1-CG1 3.85Å; Y351-F505 AromaticContact CD1-CD1 4Å; Y351-F505 HydrophobicContact CD1-CD1 4Å; Y351-F505 AromaticContact CD1-CE1 3.68Å; Y351-F505 HydrophobicContact CD1-CE1 3.68Å; Y351-F505 HydrophobicContact CD2-CD1 4.22Å; Y351-F505 HydrophobicContact CD2-CE1 4.24Å; Y351-F505 HydrophobicContact CE1-CD1 4.09Å; Y351-F505 HydrophobicContact CE1-CE1 4.22Å; Y351-F505 HydrophobicContact CE2-CD1 4.29Å; Y351-F505 HydrophobicContact CG-CD1 4.1Å; Y351-F505 AromaticContact CG-CE1 3.72Å; Y351-F505 HydrophobicContact CG-CE1 3.72Å; Y351-C515 HydrophobicContact CD1-CB 4.39Å; Y351-Q560 VanDerWaalsContact CE1-OE1 3.27Å; Y351-K563 WeakPolarHBondContact OH-CD 3.46Å; Y351-F566 HydrophobicContact CE1-CE2 4.27Å; Y351-F566 AromaticContact CE1-CZ 3.9Å; Y351-F566 HydrophobicContact CE1-CZ 3.9Å
352	G	98.5	Very high	98.8	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	9%	0.094	C	C	.	.			trans	65.6	28.3	-169.9	0	0	0	0	0	112.2	T348 V350 F354	T348-G352 WeakPolarHBondContact O-CA 3.32Å; T348-G352 PolarHBondContact O-N 2.98Å; T348-G352 PolarHBondContact OG1-N 2.79Å; V350-G352 VanDerWaalsContact C-N 3.33Å; V350-G352 PolarHBondContact O-N 3.13Å; G352-F354 WeakPolarHBondContact O-CD2 3.46Å; G352-F354 WeakPolarHBondContact O-CE2 3.35Å
353	A	98.5	Very high	98.8	Very high	2 Å²	2	18 Å²	18	2%	0.017	10%	0.097	C	C	.	.			trans	-75.4	149.4	-177.1	0	0	0	0	0	111.5	R317 R319 G347 T348 Y351	R317-A353 VanDerWaalsContact O-CB 3.24Å; R317-A353 WeakPolarHBondContact O-CB 3.44Å; R319-A353 HydrophobicContact CG-CB 4.25Å; G347-A353 CarbonylContact C-O 3.47Å; G347-A353 WeakPolarHBondContact CA-O 3.16Å; G347-A353 PolarHBondContact N-O 3.23Å; T348-A353 HydrophobicContact CG2-CB 4.12Å; T348-A353 PolarHBondContact N-O 3.09Å; T348-A353 WeakPolarHBondContact OG1-CB 3.29Å; T348-A353 PolarHBondContact OG1-N 2.63Å; Y351-A353 PolarHBondContact O-N 3.44Å
354	F	98.9	Very high	98.8	Very high	7 Å²	7	18.1 Å²	18.1	3%	0.031	10%	0.098	C	C	.	.	B	Isolated β-bridge	trans	-114.9	117.2	177.4	-72.9	-99.8	0	0	0	109.8	R319 A346 G352 L381 K390 L391 Q510 H511	R319-F354 WeakPolarHBondContact CD-O 3.44Å; R319-F354 VanDerWaalsContact CG-O 3.22Å; R319-F354 WeakPolarHBondContact CG-O 3.5Å; A346-F354 HydrophobicContact CB-CD1 3.96Å; A346-F354 HydrophobicContact CB-CE1 4.1Å; G352-F354 WeakPolarHBondContact O-CD2 3.46Å; G352-F354 WeakPolarHBondContact O-CE2 3.35Å; F354-L381 HydrophobicContact CE2-CD2 4.41Å; F354-L381 HydrophobicContact CZ-CD2 3.86Å; F354-K390 HydrophobicContact CD1-CB 3.96Å; F354-K390 VanDerWaalsContact CD1-O 3.24Å; F354-K390 WeakPolarHBondContact CD1-O 3.47Å; F354-K390 HydrophobicContact CD2-CB 4.27Å; F354-K390 HydrophobicContact CE1-CB 4.08Å; F354-K390 HydrophobicContact CE2-CB 4.37Å; F354-K390 HydrophobicContact CE2-CD 4.27Å; F354-K390 HydrophobicContact CG-CB 4.06Å; F354-K390 HydrophobicContact CZ-CB 4.28Å; F354-L391 HydrophobicContact CD1-CD1 4.35Å; F354-L391 HydrophobicContact CD1-CG 4.14Å; F354-L391 HydrophobicContact CE1-CD1 3.7Å; F354-L391 HydrophobicContact CE1-CD2 4.5Å; F354-L391 HydrophobicContact CE1-CG 3.84Å; F354-Q510 HydrophobicContact CD2-CB 3.75Å; F354-Q510 HydrophobicContact CE2-CB 4.17Å; F354-H511 HydrophobicContact CE2-CB 4.24Å; F354-H511 AromaticContact CZ-CD2 3.81Å
355	D	98.9	Very high	98.8	Very high	3 Å²	3	23.8 Å²	23.8	2%	0.016	13%	0.125	C	C	.	.			trans	-62.6	148.7	174.8	-73	-24.8	0	0	0	111.1	R319 V320 A344 T345 I357 I360	R319-D355 WeakPolarHBondContact CA-OD1 3.21Å; V320-D355 HydrophobicContact CB-CB 4.46Å; V320-D355 WeakPolarHBondContact CG2-OD1 3.37Å; V320-D355 WeakPolarHBondContact CG2-OD2 3.48Å; V320-D355 PolarHBondContact N-OD1 2.68Å; A344-D355 HydrophobicContact CB-CB 4.24Å; T345-D355 PolarHBondContact N-OD2 3.15Å; T345-D355 PolarHBondContact O-N 3.12Å; D355-I357 VanDerWaalsContact C-N 3.35Å; D355-I357 WeakPolarHBondContact O-CG1 3.48Å; D355-I357 PolarHBondContact O-N 3.26Å; D355-I360 HydrophobicContact CB-CD1 3.87Å
356	P	98.8	Very high	98.8	Very high	22 Å²	22	30.1 Å²	30.1	14%	0.143	15%	0.152	C	C	.	.			trans	-73.3	84.1	178.8	30.7	-35.9	0	0	0	111	V320 P322 N358 E359 I360	V320-P356 WeakPolarHBondContact O-CD 3.23Å; V320-P356 WeakPolarHBondContact O-CG 3.41Å; P322-P356 HydrophobicContact CG-CB 4.48Å; P322-P356 HydrophobicContact CG-CG 3.68Å; P356-N358 VanDerWaalsContact C-N 3.35Å; P356-N358 PolarHBondContact O-N 3.42Å; P356-E359 HydrophobicContact CB-CB 4.31Å; P356-E359 HydrophobicContact CB-CG 4.45Å; P356-E359 WeakPolarHBondContact CB-OE2 3.34Å; P356-E359 PolarHBondContact O-N 3.47Å; P356-I360 HydrophobicContact CG-CD1 4.36Å; P356-I360 HydrophobicContact CG-CG1 4.49Å; P356-I360 VanDerWaalsContact O-CG1 3.31Å; P356-I360 WeakPolarHBondContact O-CG1 3.44Å; P356-I360 PolarHBondContact O-N 3.07Å
357	I	98.9	Very high	98.7	Very high	4 Å²	4	32.3 Å²	32.3	2%	0.021	16%	0.16	C	C	.	.	H	α-helix	trans	-61.4	-39.7	-169.3	-58.3	168.3	0	0	0	112.1	A344 A346 D355 I360 A361 L371 V373 L391 G393 V394	A344-I357 HydrophobicContact CB-CG1 4.49Å; A346-I357 HydrophobicContact CB-CD1 4.42Å; D355-I357 VanDerWaalsContact C-N 3.35Å; D355-I357 WeakPolarHBondContact O-CG1 3.48Å; D355-I357 PolarHBondContact O-N 3.26Å; I357-I360 PolarHBondContact O-N 3.45Å; I357-A361 WeakPolarHBondContact O-CB 3.37Å; I357-A361 PolarHBondContact O-N 2.69Å; I357-L371 HydrophobicContact CG2-CD2 4.31Å; I357-V373 HydrophobicContact CD1-CG1 4.04Å; I357-V373 HydrophobicContact CD1-CG2 4.19Å; I357-V373 HydrophobicContact CG1-CG2 4.41Å; I357-V373 HydrophobicContact CG2-CG2 3.95Å; I357-L391 HydrophobicContact CD1-CB 4.49Å; I357-G393 VanDerWaalsContact CG2-C 3.45Å; I357-G393 WeakPolarHBondContact CG2-O 3.31Å; I357-V394 HydrophobicContact CD1-CB 4.31Å
358	N	98.9	Very high	98.7	Very high	54 Å²	54	39.3 Å²	39.3	29%	0.289	20%	0.197	S	C	.	.	H	α-helix	trans	-63.6	-47.7	-179.7	-86	-41.9	0	0	0	112.1	P356 I360 A361 D362 G393 R396	P356-N358 VanDerWaalsContact C-N 3.35Å; P356-N358 PolarHBondContact O-N 3.42Å; N358-I360 VanDerWaalsContact C-N 3.32Å; N358-I360 PolarHBondContact O-N 3.46Å; N358-A361 WeakPolarHBondContact O-CB 3.22Å; N358-A361 PolarHBondContact O-N 3.27Å; N358-A361 VanDerWaalsContact O-N 3.14Å; N358-D362 VanDerWaalsContact O-CG 3.27Å; N358-D362 PolarHBondContact O-N 2.86Å; N358-G393 WeakPolarHBondContact OD1-CA 3.37Å; N358-R396 PolarHBondContact O-NH1 3.14Å; N358-R396 VanDerWaalsContact O-NH1 3.15Å; N358-R396 PolarHBondContact OD1-NH1 2.87Å
359	E	98.9	Very high	98.7	Very high	100 Å²	100	39.7 Å²	39.7	47%	0.467	20%	0.199	S	C	.	.	H	α-helix	trans	-65.9	-37.3	179.3	-61	92.9	132.9	0	0	111.3	P322 P356 I363	P322-E359 HydrophobicContact CB-CB 4.13Å; P322-E359 HydrophobicContact CG-CB 3.72Å; P356-E359 HydrophobicContact CB-CB 4.31Å; P356-E359 HydrophobicContact CB-CG 4.45Å; P356-E359 WeakPolarHBondContact CB-OE2 3.34Å; P356-E359 PolarHBondContact O-N 3.47Å; E359-I363 WeakPolarHBondContact O-CG1 3.31Å; E359-I363 PolarHBondContact O-N 3.2Å
360	I	98.9	Very high	98.8	Very high	1 Å²	1	38.8 Å²	38.8	1%	0.005	19%	0.191	C	C	.	.	H	α-helix	trans	-66.2	-40.4	172.2	-68.5	168.8	0	0	0	110.9	V320 L325 V342 A344 D355 P356 I357 N358 I363 C364 L371	V320-I360 HydrophobicContact CB-CD1 4.15Å; V320-I360 HydrophobicContact CG1-CD1 4.07Å; V320-I360 HydrophobicContact CG1-CG1 4.48Å; L325-I360 HydrophobicContact CD2-CB 4.47Å; L325-I360 HydrophobicContact CD2-CG1 4.28Å; L325-I360 HydrophobicContact CD2-CG2 3.96Å; V342-I360 HydrophobicContact CG1-CG2 3.66Å; A344-I360 HydrophobicContact CB-CD1 3.88Å; A344-I360 HydrophobicContact CB-CG2 4.4Å; D355-I360 HydrophobicContact CB-CD1 3.87Å; P356-I360 HydrophobicContact CG-CD1 4.36Å; P356-I360 HydrophobicContact CG-CG1 4.49Å; P356-I360 VanDerWaalsContact O-CG1 3.31Å; P356-I360 WeakPolarHBondContact O-CG1 3.44Å; P356-I360 PolarHBondContact O-N 3.07Å; I357-I360 PolarHBondContact O-N 3.45Å; N358-I360 VanDerWaalsContact C-N 3.32Å; N358-I360 PolarHBondContact O-N 3.46Å; I360-I363 PolarHBondContact O-N 3.37Å; I360-C364 PolarHBondContact O-N 2.93Å; I360-C364 PolarHBondContact O-SG 2.95Å; I360-L371 HydrophobicContact CG2-CD1 3.77Å
361	A	98.9	Very high	98.8	Very high	1 Å²	1	37.6 Å²	37.6	1%	0.008	18%	0.184	C	C	.	.	H	α-helix	trans	-65.2	-40.5	178.6	0	0	0	0	0	111.9	I357 N358 I363 C364 E365 L371 R396	I357-A361 WeakPolarHBondContact O-CB 3.37Å; I357-A361 PolarHBondContact O-N 2.69Å; N358-A361 WeakPolarHBondContact O-CB 3.22Å; N358-A361 PolarHBondContact O-N 3.27Å; N358-A361 VanDerWaalsContact O-N 3.14Å; A361-I363 VanDerWaalsContact C-N 3.27Å; A361-I363 PolarHBondContact O-N 3.45Å; A361-C364 PolarHBondContact O-N 3.49Å; A361-C364 VanDerWaalsContact O-N 3.14Å; A361-E365 WeakPolarHBondContact O-CB 3.15Å; A361-E365 WeakPolarHBondContact O-CG 3.22Å; A361-E365 PolarHBondContact O-N 3.02Å; A361-L371 HydrophobicContact CB-CD2 3.6Å; A361-R396 HydrophobicContact CB-CB 4.12Å; A361-R396 VanDerWaalsContact CB-CZ 3.45Å
362	D	98.9	Very high	98.8	Very high	87 Å²	87	37.2 Å²	37.2	47%	0.465	18%	0.182	S	C	.	.	H	α-helix	trans	-56.2	-43.8	174.1	-65.4	-18.9	0	0	0	111.2	N358 K366 R396	N358-D362 VanDerWaalsContact O-CG 3.27Å; N358-D362 PolarHBondContact O-N 2.86Å; D362-K366 WeakPolarHBondContact O-CB 3.49Å; D362-K366 PolarHBondContact O-N 3.01Å; D362-R396 IonicContact OD1-CZ 2.68Å; D362-R396 IonicContact OD1-NH1 2.65Å; D362-R396 PolarHBondContact OD1-NH1 3.3Å; D362-R396 IonicContact OD1-NH2 3.83Å; D362-R396 PolarHBondContact OD1-NH2 2.94Å
363	I	98.9	Very high	98.8	Very high	14 Å²	14	37.2 Å²	37.2	7%	0.072	18%	0.182	C	C	.	.	H	α-helix	trans	-67.4	-45.5	176.2	-63.1	165.9	0	0	0	110.5	P322 L325 E326 I329 E359 I360 A361 E365 K366 Y367	P322-I363 HydrophobicContact CB-CD1 3.77Å; P322-I363 VanDerWaalsContact O-CD1 3.29Å; P322-I363 WeakPolarHBondContact O-CD1 3.39Å; L325-I363 HydrophobicContact CD2-CB 4.37Å; L325-I363 HydrophobicContact CD2-CD1 4.17Å; L325-I363 HydrophobicContact CD2-CG2 4.11Å; L325-I363 HydrophobicContact CG-CD1 4.47Å; L325-I363 HydrophobicContact CG-CG2 4.17Å; E326-I363 HydrophobicContact CB-CD1 4.24Å; E326-I363 HydrophobicContact CB-CG2 4.47Å; I329-I363 HydrophobicContact CD1-CG2 3.58Å; E359-I363 WeakPolarHBondContact O-CG1 3.31Å; E359-I363 PolarHBondContact O-N 3.2Å; I360-I363 PolarHBondContact O-N 3.37Å; A361-I363 VanDerWaalsContact C-N 3.27Å; A361-I363 PolarHBondContact O-N 3.45Å; I363-E365 VanDerWaalsContact C-N 3.32Å; I363-E365 PolarHBondContact O-N 2.92Å; I363-K366 PolarHBondContact O-N 3.31Å; I363-Y367 HydrophobicContact CG2-CD2 3.78Å; I363-Y367 HydrophobicContact CG2-CE2 4.07Å; I363-Y367 VanDerWaalsContact O-CD2 3.28Å; I363-Y367 WeakPolarHBondContact O-CD2 3.1Å; I363-Y367 PolarHBondContact O-N 3.08Å
364	C	98.9	Very high	98.9	Very high	4 Å²	4	37.5 Å²	37.5	3%	0.027	18%	0.183	C	C	.	.	H	α-helix	trans	-60.3	-42.2	179.8	-68.6	0	0	0	0	111.9	I360 A361 Y367 N368 I369 L371	I360-C364 PolarHBondContact O-N 2.93Å; I360-C364 PolarHBondContact O-SG 2.95Å; A361-C364 PolarHBondContact O-N 3.49Å; A361-C364 VanDerWaalsContact O-N 3.14Å; C364-Y367 PolarHBondContact O-N 2.88Å; C364-N368 CarbonylContact O-C 3.53Å; C364-N368 WeakPolarHBondContact O-CA 3.24Å; C364-N368 PolarHBondContact O-N 3.14Å; C364-I369 HydrophobicContact CB-CB 4.42Å; C364-I369 WeakPolarHBondContact CB-O 3.36Å; C364-I369 PolarHBondContact O-N 3.3Å; C364-L371 HydrophobicContact CB-CB 4.2Å
365	E	98.8	Very high	98.9	Very high	119 Å²	119	37.1 Å²	37.1	56%	0.556	18%	0.182	S	C	*	.	H	α-helix	trans	-65.4	-45.1	176	-72.5	169.4	-165.7	0	0	111.5	A361 I363 Y367 N368 R396	A361-E365 WeakPolarHBondContact O-CB 3.15Å; A361-E365 WeakPolarHBondContact O-CG 3.22Å; A361-E365 PolarHBondContact O-N 3.02Å; I363-E365 VanDerWaalsContact C-N 3.32Å; I363-E365 PolarHBondContact O-N 2.92Å; E365-Y367 VanDerWaalsContact C-N 3.28Å; E365-Y367 PolarHBondContact O-N 3.05Å; E365-N368 PolarHBondContact O-N 3.05Å; E365-R396 IonicContact OE1-CZ 3.25Å; E365-R396 IonicContact OE1-NE 2.81Å; E365-R396 PolarHBondContact OE1-NE 2.86Å; E365-R396 IonicContact OE1-NH2 3.83Å; E365-R396 PolarHBondContact OE1-NH2 3.02Å; E365-R396 IonicContact OE2-CZ 2.79Å; E365-R396 IonicContact OE2-NH2 3.24Å; E365-R396 PolarHBondContact OE2-NH2 2.81Å
366	K	98.8	Very high	98.9	Very high	136 Å²	136	37.2 Å²	37.2	59%	0.591	18%	0.183	S	C	*	.	H	α-helix	trans	-56.6	-39.4	176.8	176.8	179.5	175	-174.2	0	113	E326 D362 I363	E326-K366 IonicContact OE1-NZ 2.64Å; E326-K366 PolarHBondContact OE1-NZ 3.09Å; D362-K366 WeakPolarHBondContact O-CB 3.49Å; D362-K366 PolarHBondContact O-N 3.01Å; I363-K366 PolarHBondContact O-N 3.31Å
367	Y	98.6	Very high	98.9	Very high	47 Å²	47	36.3 Å²	36.3	18%	0.184	18%	0.176	C	C	.	.	H	α-helix	trans	-102.5	2.9	-175.8	-67.9	-78.1	0	0	0	114.1	E326 I329 I363 C364 E365	E326-Y367 HydrophobicContact CG-CE2 3.94Å; E326-Y367 PolarHBondContact OE1-OH 3.41Å; I329-Y367 HydrophobicContact CD1-CD2 4.26Å; I329-Y367 HydrophobicContact CG2-CD1 3.81Å; I329-Y367 HydrophobicContact CG2-CD2 4.16Å; I329-Y367 HydrophobicContact CG2-CE1 4.09Å; I329-Y367 HydrophobicContact CG2-CE2 4.46Å; I329-Y367 HydrophobicContact CG2-CG 3.85Å; I363-Y367 HydrophobicContact CG2-CD2 3.78Å; I363-Y367 HydrophobicContact CG2-CE2 4.07Å; I363-Y367 VanDerWaalsContact O-CD2 3.28Å; I363-Y367 WeakPolarHBondContact O-CD2 3.1Å; I363-Y367 PolarHBondContact O-N 3.08Å; C364-Y367 PolarHBondContact O-N 2.88Å; E365-Y367 VanDerWaalsContact C-N 3.28Å; E365-Y367 PolarHBondContact O-N 3.05Å
368	N	98.4	Very high	98.9	Very high	151 Å²	151	36.1 Å²	36.1	81%	0.807	18%	0.175	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.1	54.2	-175.1	-171	42.2	0	0	0	113	C364 E365	C364-N368 CarbonylContact O-C 3.53Å; C364-N368 WeakPolarHBondContact O-CA 3.24Å; C364-N368 PolarHBondContact O-N 3.14Å; E365-N368 PolarHBondContact O-N 3.05Å
369	I	98.9	Very high	98.9	Very high	9 Å²	9	33.5 Å²	33.5	5%	0.046	16%	0.162	C	C	.	.			trans	-110	141.2	-178.6	-65.1	171.9	0	0	0	109.2	I329 P339 V342 C364 L371	I329-I369 HydrophobicContact CD1-CD1 3.5Å; I329-I369 HydrophobicContact CG1-CD1 3.86Å; I329-I369 HydrophobicContact CG2-CD1 4.23Å; P339-I369 HydrophobicContact CB-CD1 3.83Å; P339-I369 HydrophobicContact CB-CG1 4.37Å; P339-I369 HydrophobicContact CG-CD1 4.19Å; V342-I369 HydrophobicContact CB-CG2 4.37Å; V342-I369 HydrophobicContact CG2-CG2 3.7Å; C364-I369 HydrophobicContact CB-CB 4.42Å; C364-I369 WeakPolarHBondContact CB-O 3.36Å; C364-I369 PolarHBondContact O-N 3.3Å; I369-L371 PolarHBondContact O-N 3.35Å
370	W	98.9	Very high	98.8	Very high	18 Å²	18	28.8 Å²	28.8	7%	0.068	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	122.5	175.8	-176.8	-82.2	0	0	0	111.3	I263 A264 K267 M340 F341 V342 N398 S399 V419 L424	I263-W370 HydrophobicContact CG2-CH2 3.61Å; I263-W370 HydrophobicContact CG2-CZ2 3.83Å; I263-W370 HydrophobicContact CG2-CZ3 4.39Å; A264-W370 HydrophobicContact CB-CB 3.76Å; A264-W370 HydrophobicContact CB-CD2 3.76Å; A264-W370 HydrophobicContact CB-CE3 4.38Å; A264-W370 HydrophobicContact CB-CG 3.47Å; A264-W370 VanDerWaalsContact CB-CG 3.47Å; K267-W370 HydrophobicContact CB-CZ3 4.37Å; K267-W370 HydrophobicContact CG-CZ3 4.34Å; M340-W370 WeakPolarHBondContact O-CB 3.44Å; M340-W370 PolarHBondContact O-N 2.99Å; F341-W370 WeakPolarHBondContact CA-O 3.34Å; F341-W370 HydrophobicContact CD2-CB 4.42Å; F341-W370 AromaticContact CD2-CD1 3.49Å; F341-W370 VanDerWaalsContact CD2-CD1 3.49Å; F341-W370 HydrophobicContact CD2-CG 4.22Å; F341-W370 AromaticContact CE2-CD1 3.71Å; V342-W370 PolarHBondContact N-O 3.23Å; W370-N398 HydrophobicContact CD2-CB 3.47Å; W370-N398 VanDerWaalsContact CD2-CB 3.47Å; W370-N398 HydrophobicContact CE3-CB 3.67Å; W370-N398 HydrophobicContact CG-CB 4.13Å; W370-N398 HydrophobicContact CH2-CB 3.7Å; W370-N398 HydrophobicContact CZ2-CB 3.51Å; W370-N398 HydrophobicContact CZ3-CB 3.78Å; W370-S399 PolarHBondContact NE1-OG 3.32Å; W370-V419 HydrophobicContact CH2-CG1 4.15Å; W370-V419 HydrophobicContact CZ2-CG1 4.43Å; W370-L424 HydrophobicContact CH2-CD1 3.8Å; W370-L424 HydrophobicContact CZ3-CD1 3.9Å
371	L	98.9	Very high	98.8	Very high	3 Å²	3	28.8 Å²	28.8	2%	0.016	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	116.8	171.7	177.9	58.1	0	0	0	110.8	V342 A344 I357 I360 A361 C364 I369 A397 N398 S399	V342-L371 HydrophobicContact CG1-CD1 4.49Å; A344-L371 HydrophobicContact CB-CD1 4.07Å; I357-L371 HydrophobicContact CG2-CD2 4.31Å; I360-L371 HydrophobicContact CG2-CD1 3.77Å; A361-L371 HydrophobicContact CB-CD2 3.6Å; C364-L371 HydrophobicContact CB-CB 4.2Å; I369-L371 PolarHBondContact O-N 3.35Å; L371-A397 HydrophobicContact CD2-CB 4.42Å; L371-A397 HydrophobicContact CG-CB 4.28Å; L371-N398 PolarHBondContact N-OD1 2.96Å; L371-N398 WeakPolarHBondContact O-CB 3.2Å; L371-N398 PolarHBondContact O-N 3.44Å; L371-S399 PolarHBondContact O-N 3.44Å
372	H	99	Very high	98.8	Very high	0 Å²	0	29 Å²	29	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	135.1	165.8	178.5	61.9	0	0	0	110.5	N257 S260 F341 V342 N343 A344 S399 T401	N257-H372 PolarHBondContact OD1-NE2 2.79Å; S260-H372 VanDerWaalsContact CB-CE1 3.44Å; S260-H372 WeakPolarHBondContact CB-CE1 3.5Å; S260-H372 WeakPolarHBondContact CB-ND1 3.41Å; S260-H372 PolarHBondContact OG-CD2 3.08Å; S260-H372 PolarHBondContact OG-CE1 3.23Å; S260-H372 PolarHBondContact OG-ND1 3.35Å; S260-H372 PolarHBondContact OG-NE2 2.94Å; F341-H372 HydrophobicContact CD2-CB 4.44Å; F341-H372 HydrophobicContact CE1-CB 4.44Å; F341-H372 HydrophobicContact CE2-CB 3.43Å; F341-H372 VanDerWaalsContact CE2-CB 3.43Å; F341-H372 HydrophobicContact CZ-CB 3.43Å; F341-H372 VanDerWaalsContact CZ-CB 3.43Å; F341-H372 AromaticContact CZ-CD2 3.93Å; F341-H372 AromaticContact CZ-CG 3.89Å; V342-H372 PolarHBondContact O-N 2.87Å; N343-H372 WeakPolarHBondContact CA-O 3.46Å; N343-H372 PolarHBondContact OD1-CD2 2.8Å; A344-H372 PolarHBondContact N-O 3.47Å; H372-S399 WeakPolarHBondContact CA-O 3.46Å; H372-S399 PolarHBondContact ND1-O 3.19Å; H372-S399 PolarHBondContact ND1-OG 2.94Å; H372-T401 PolarHBondContact CE1-N 3.46Å; H372-T401 PolarHBondContact CE1-OG1 3.41Å; H372-T401 PolarHBondContact NE2-OG1 3.06Å
373	V	99	Very high	98.8	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	111.8	169.2	176.6	0	0	0	0	109.7	A344 A346 I357 G375 V394 A397 S399 V400 T401	A344-V373 HydrophobicContact CB-CG2 4.45Å; A344-V373 CarbonylContact O-C 3.56Å; A344-V373 VanDerWaalsContact O-CA 3.28Å; A344-V373 WeakPolarHBondContact O-CA 3.45Å; A346-V373 HydrophobicContact CB-CG1 3.72Å; I357-V373 HydrophobicContact CD1-CG1 4.04Å; I357-V373 HydrophobicContact CD1-CG2 4.19Å; I357-V373 HydrophobicContact CG1-CG2 4.41Å; I357-V373 HydrophobicContact CG2-CG2 3.95Å; V373-G375 PolarHBondContact O-N 3.32Å; V373-G375 VanDerWaalsContact O-N 3.07Å; V373-V394 HydrophobicContact CB-CG2 4.19Å; V373-V394 HydrophobicContact CG1-CG2 4.03Å; V373-V394 HydrophobicContact CG2-CG2 4.3Å; V373-A397 HydrophobicContact CB-CB 4.3Å; V373-A397 HydrophobicContact CG2-CB 3.67Å; V373-S399 PolarHBondContact N-O 3.48Å; V373-V400 HydrophobicContact CB-CG2 4.41Å; V373-V400 WeakPolarHBondContact O-CA 3.48Å; V373-T401 PolarHBondContact O-N 2.83Å
374	D	98.9	Very high	98.8	Very high	7 Å²	7	24.4 Å²	24.4	4%	0.037	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	88.1	168.5	-177.5	-1.6	0	0	0	109.3	N257 N343 A344 A346 A376	N257-D374 PolarHBondContact ND2-OD2 2.84Å; N343-D374 WeakPolarHBondContact OD1-CB 3.36Å; A344-D374 PolarHBondContact O-N 3.39Å; A346-D374 PolarHBondContact N-O 3.17Å; D374-A376 VanDerWaalsContact C-N 3.33Å; D374-A376 WeakPolarHBondContact OD1-CB 3.35Å; D374-A376 PolarHBondContact OD1-N 2.83Å
375	G	98.8	Very high	98.8	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	24.4	170.1	0	0	0	0	0	112.7	V373 W377 G379 T401	V373-G375 PolarHBondContact O-N 3.32Å; V373-G375 VanDerWaalsContact O-N 3.07Å; G375-W377 PolarHBondContact O-N 3.36Å; G375-W377 VanDerWaalsContact O-N 3.14Å; G375-G379 WeakPolarHBondContact O-CA 3.43Å; G375-G379 PolarHBondContact O-N 3.41Å; G375-T401 CarbonylContact C-O 3.57Å; G375-T401 WeakPolarHBondContact CA-O 3.4Å; G375-T401 PolarHBondContact N-O 2.68Å
376	A	98.9	Very high	98.8	Very high	4 Å²	4	33 Å²	33	3%	0.033	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.9	-41.6	-178.1	0	0	0	0	0	111.2	D374 T401 N403 K406	D374-A376 VanDerWaalsContact C-N 3.33Å; D374-A376 WeakPolarHBondContact OD1-CB 3.35Å; D374-A376 PolarHBondContact OD1-N 2.83Å; A376-T401 HydrophobicContact CB-CG2 3.82Å; A376-T401 PolarHBondContact N-O 3.49Å; A376-N403 VanDerWaalsContact O-CB 3.23Å; A376-N403 WeakPolarHBondContact O-CB 3.45Å; A376-N403 PolarHBondContact O-N 2.96Å; A376-K406 WeakPolarHBondContact O-CD 3.02Å
377	W	98.9	Very high	98.8	Very high	3 Å²	3	27.6 Å²	27.6	1%	0.011	12%	0.12	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91	-63.3	176.3	178.3	-141.9	0	0	0	112.3	L192 G375 G379 K406 M407 H511 T512 N513	L192-W377 HydrophobicContact CB-CD2 4.47Å; L192-W377 HydrophobicContact CB-CE3 4.21Å; L192-W377 HydrophobicContact CB-CH2 4.43Å; L192-W377 HydrophobicContact CB-CZ3 4.18Å; L192-W377 HydrophobicContact CD1-CB 4.39Å; L192-W377 HydrophobicContact CD1-CD2 4.27Å; L192-W377 HydrophobicContact CD1-CG 4.17Å; L192-W377 HydrophobicContact CD2-CD2 4.05Å; L192-W377 HydrophobicContact CD2-CG 4.47Å; L192-W377 HydrophobicContact CD2-CH2 4.28Å; L192-W377 HydrophobicContact CD2-CZ2 3.76Å; L192-W377 WeakPolarHBondContact O-CZ3 3.24Å; G375-W377 PolarHBondContact O-N 3.36Å; G375-W377 VanDerWaalsContact O-N 3.14Å; W377-G379 VanDerWaalsContact C-N 3.29Å; W377-G379 PolarHBondContact O-N 3.46Å; W377-K406 HydrophobicContact CB-CD 4.24Å; W377-K406 HydrophobicContact CE3-CB 3.52Å; W377-K406 HydrophobicContact CE3-CD 4.02Å; W377-K406 HydrophobicContact CE3-CG 4.4Å; W377-K406 HydrophobicContact CZ3-CB 3.74Å; W377-M407 HydrophobicContact CE3-CB 4Å; W377-M407 HydrophobicContact CH2-CB 4.47Å; W377-M407 HydrophobicContact CH2-SD 3.7Å; W377-M407 HydrophobicContact CZ2-SD 4.46Å; W377-M407 HydrophobicContact CZ3-CB 3.68Å; W377-M407 HydrophobicContact CZ3-CG 4.34Å; W377-M407 HydrophobicContact CZ3-SD 3.87Å; W377-H511 AromaticContact CD2-CE1 3.65Å; W377-H511 AromaticContact CD2-NE2 3.85Å; W377-H511 AromaticContact CE2-CE1 3.08Å; W377-H511 AromaticContact CE2-CG 3.94Å; W377-H511 AromaticContact CE2-ND1 3.24Å; W377-H511 AromaticContact CE2-NE2 3.64Å; W377-H511 AromaticContact CH2-CE1 3.63Å; W377-H511 AromaticContact CZ2-CE1 3.11Å; W377-H511 WeakPolarHBondContact CZ2-CE1 3.24Å; W377-H511 AromaticContact CZ2-ND1 3.21Å; W377-H511 WeakPolarHBondContact CZ2-ND1 3.35Å; W377-H511 AromaticContact NE1-CD2 3.76Å; W377-H511 AromaticContact NE1-CE1 3.46Å; W377-H511 PolarHBondContact NE1-CE1 3.46Å; W377-H511 AromaticContact NE1-CG 3.51Å; W377-H511 AromaticContact NE1-ND1 3.27Å; W377-H511 PolarHBondContact NE1-ND1 3.25Å; W377-H511 AromaticContact NE1-NE2 3.75Å; W377-T512 VanDerWaalsContact CZ2-OG1 3.3Å; W377-T512 WeakPolarHBondContact CZ2-OG1 3.35Å; W377-N513 PolarHBondContact NE1-OD1 3.37Å
378	G	98.8	Very high	98.8	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	13%	0.129	C	C	.	.	G	3₁₀ helix	trans	-74.7	-10	-172.7	0	0	0	0	0	115.3	A346 G380 L381	A346-G378 WeakPolarHBondContact O-CA 3.11Å; A346-G378 PolarHBondContact O-N 3.48Å; G378-G380 PolarHBondContact O-N 3.33Å; G378-G380 VanDerWaalsContact O-N 3.13Å; G378-L381 WeakPolarHBondContact O-CB 2.93Å; G378-L381 PolarHBondContact O-N 2.93Å
379	G	98.8	Very high	98.8	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	11%	0.113	C	C	.	.	G	3₁₀ helix	trans	-58.4	-26.8	177.4	0	0	0	0	0	113.2	G375 W377 L381 L382 W402	G375-G379 WeakPolarHBondContact O-CA 3.43Å; G375-G379 PolarHBondContact O-N 3.41Å; W377-G379 VanDerWaalsContact C-N 3.29Å; W377-G379 PolarHBondContact O-N 3.46Å; G379-L381 PolarHBondContact O-N 3.48Å; G379-L382 WeakPolarHBondContact O-CB 3.26Å; G379-L382 WeakPolarHBondContact O-CG 3.1Å; G379-L382 PolarHBondContact O-N 3.42Å; G379-L382 VanDerWaalsContact O-N 3.12Å; G379-W402 VanDerWaalsContact C-NE1 3.32Å; G379-W402 WeakPolarHBondContact O-CZ2 3.45Å
380	G	98.7	Very high	98.8	Very high	1 Å²	1	29.4 Å²	29.4	1%	0.01	12%	0.12	C	C	.	.	G	3₁₀ helix	trans	-55.9	-34.8	171.6	0	0	0	0	0	113	G378 L382 M383 I481	G378-G380 PolarHBondContact O-N 3.33Å; G378-G380 VanDerWaalsContact O-N 3.13Å; G380-L382 PolarHBondContact O-N 3.43Å; G380-L382 VanDerWaalsContact O-N 3.12Å; G380-M383 WeakPolarHBondContact O-CB 3.27Å; G380-M383 WeakPolarHBondContact O-CG 3.26Å; G380-M383 PolarHBondContact O-N 2.95Å; G380-I481 WeakPolarHBondContact O-CD1 3.46Å
381	L	98.9	Very high	98.8	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	12%	0.117	C	C	.	.	G	3₁₀ helix	trans	-65.2	-16.5	-179.3	-85.3	60	0	0	0	113.5	F354 G378 G379 M383 S384 H387 R388 K390 L391 M407 I481 L485 H511	F354-L381 HydrophobicContact CE2-CD2 4.41Å; F354-L381 HydrophobicContact CZ-CD2 3.86Å; G378-L381 WeakPolarHBondContact O-CB 2.93Å; G378-L381 PolarHBondContact O-N 2.93Å; G379-L381 PolarHBondContact O-N 3.48Å; L381-M383 PolarHBondContact O-N 3.27Å; L381-S384 PolarHBondContact O-N 2.95Å; L381-H387 HydrophobicContact CB-CB 4.37Å; L381-H387 HydrophobicContact CD2-CB 3.99Å; L381-H387 HydrophobicContact CG-CB 4.04Å; L381-R388 WeakPolarHBondContact O-CA 3.3Å; L381-R388 PolarHBondContact O-N 3.14Å; L381-K390 HydrophobicContact CD2-CD 3.87Å; L381-L391 HydrophobicContact CB-CD1 3.94Å; L381-M407 HydrophobicContact CD1-CG 4.21Å; L381-I481 HydrophobicContact CD1-CG2 4.01Å; L381-I481 HydrophobicContact CG-CG2 4.19Å; L381-L485 HydrophobicContact CD1-CD1 4.18Å; L381-L485 HydrophobicContact CD2-CD1 4.08Å; L381-L485 HydrophobicContact CG-CD1 3.93Å; L381-H511 WeakPolarHBondContact CD1-NE2 3.33Å
382	L	98.9	Very high	98.8	Very high	5 Å²	5	33 Å²	33	3%	0.026	14%	0.141	C	C	.	.	G	3₁₀ helix	trans	-61.1	-22.1	172	-66.8	170.7	0	0	0	112.8	I237 V238 G379 G380 S384 L391 V394 W402	I237-L382 HydrophobicContact CG2-CB 3.52Å; I237-L382 HydrophobicContact CG2-CD1 4.42Å; V238-L382 HydrophobicContact CG2-CD1 4.02Å; G379-L382 WeakPolarHBondContact O-CB 3.26Å; G379-L382 WeakPolarHBondContact O-CG 3.1Å; G379-L382 PolarHBondContact O-N 3.42Å; G379-L382 VanDerWaalsContact O-N 3.12Å; G380-L382 PolarHBondContact O-N 3.43Å; G380-L382 VanDerWaalsContact O-N 3.12Å; L382-S384 VanDerWaalsContact C-N 3.33Å; L382-L391 HydrophobicContact CD1-CD2 4.26Å; L382-L391 HydrophobicContact CD2-CB 3.87Å; L382-L391 HydrophobicContact CD2-CD1 4.28Å; L382-L391 HydrophobicContact CD2-CD2 4.08Å; L382-L391 HydrophobicContact CD2-CG 4.3Å; L382-L391 HydrophobicContact CG-CD1 4.39Å; L382-L391 HydrophobicContact CG-CD2 3.95Å; L382-V394 HydrophobicContact CD2-CG1 4.14Å; L382-W402 HydrophobicContact CD1-CZ3 4.44Å
383	M	98.8	Very high	98.8	Very high	6 Å²	6	33 Å²	33	3%	0.03	14%	0.141	C	C	.	.	G	3₁₀ helix	trans	-75	-22.3	175.7	-56.6	-66.1	-75.4	0	0	112.7	I237 G380 L381 W402 M408 W469 T474 F477 E478 I481	I237-M383 HydrophobicContact CD1-SD 3.76Å; G380-M383 WeakPolarHBondContact O-CB 3.27Å; G380-M383 WeakPolarHBondContact O-CG 3.26Å; G380-M383 PolarHBondContact O-N 2.95Å; L381-M383 PolarHBondContact O-N 3.27Å; M383-W402 HydrophobicContact CG-CH2 4.34Å; M383-W402 HydrophobicContact CG-CZ2 4.03Å; M383-W402 HydrophobicContact SD-CH2 3.87Å; M383-W402 HydrophobicContact SD-CZ2 4.09Å; M383-M408 HydrophobicContact CE-CE 4.02Å; M383-M408 HydrophobicContact CG-CE 4.03Å; M383-M408 HydrophobicContact CG-SD 4.49Å; M383-M408 HydrophobicContact SD-CE 4.16Å; M383-W469 HydrophobicContact CE-CH2 4.34Å; M383-W469 HydrophobicContact CE-CZ2 3.65Å; M383-W469 HydrophobicContact SD-CH2 4.41Å; M383-W469 HydrophobicContact SD-CZ2 4.15Å; M383-T474 HydrophobicContact CE-CG2 3.79Å; M383-F477 HydrophobicContact CB-CB 4.33Å; M383-F477 HydrophobicContact CE-CB 3.68Å; M383-F477 HydrophobicContact CE-CD2 3.56Å; M383-F477 HydrophobicContact CE-CE2 4.5Å; M383-F477 HydrophobicContact CE-CG 3.96Å; M383-F477 HydrophobicContact CG-CB 4.43Å; M383-E478 WeakPolarHBondContact O-CB 3.44Å; M383-I481 HydrophobicContact CB-CD1 3.57Å; M383-I481 HydrophobicContact CG-CD1 4.07Å
384	S	98.8	Very high	98.8	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	14%	0.142	C	C	.	.			trans	-95.7	122.1	-180	166	0	0	0	0	111.1	L381 L382 R386 H387 R388 D482	L381-S384 PolarHBondContact O-N 2.95Å; L382-S384 VanDerWaalsContact C-N 3.33Å; S384-R386 PolarHBondContact O-N 3.43Å; S384-R386 PolarHBondContact OG-N 3.28Å; S384-H387 PolarHBondContact O-N 3.25Å; S384-H387 PolarHBondContact OG-CD2 3.14Å; S384-H387 PolarHBondContact OG-N 2.96Å; S384-R388 WeakPolarHBondContact O-CB 3.4Å; S384-R388 WeakPolarHBondContact O-CG 3.25Å; S384-R388 PolarHBondContact O-N 3.24Å; S384-D482 WeakPolarHBondContact CB-OD1 3.11Å; S384-D482 PolarHBondContact OG-OD1 2.88Å
385	R	98.8	Very high	98.8	Very high	192 Å²	192	36.4 Å²	36.4	73%	0.725	16%	0.156	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.1	-32.7	174.3	-65.7	165.3	-173.5	167.8	2.6	111.7	E478	R385-E478 VanDerWaalsContact CB-OE1 3.22Å; R385-E478 WeakPolarHBondContact CB-OE1 3.21Å; R385-E478 WeakPolarHBondContact CD-OE1 3.25Å; R385-E478 WeakPolarHBondContact CG-OE1 3.45Å; R385-E478 PolarHBondContact N-OE1 3.41Å; R385-E478 IonicContact NE-OE2 2.68Å
386	R	98.6	Very high	98.8	Very high	112 Å²	112	38.8 Å²	38.8	42%	0.423	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-36.8	179.3	-175.2	167.6	58.6	148.8	5.2	112.2	S384 H389 D482 D486	S384-R386 PolarHBondContact O-N 3.43Å; S384-R386 PolarHBondContact OG-N 3.28Å; R386-H389 PolarHBondContact O-CE1 3.12Å; R386-H389 PolarHBondContact O-ND1 3.32Å; R386-D482 IonicContact NE-OD1 3.8Å; R386-D482 PolarHBondContact NH2-O 3.23Å; R386-D482 IonicContact NH2-OD1 2.71Å; R386-D486 IonicContact CZ-OD1 2.74Å; R386-D486 VanDerWaalsContact CZ-OD1 3.25Å; R386-D486 IonicContact NH1-OD1 2.73Å; R386-D486 PolarHBondContact NH1-OD1 2.81Å; R386-D486 IonicContact NH1-OD2 3.21Å; R386-D486 VanDerWaalsContact NH2-CG 3.31Å; R386-D486 IonicContact NH2-OD1 3.12Å; R386-D486 PolarHBondContact NH2-OD1 3.01Å; R386-D486 IonicContact NH2-OD2 3.63Å; R386-D486 PolarHBondContact NH2-OD2 2.91Å
387	H	98.8	Very high	98.8	Very high	22 Å²	22	38.6 Å²	38.6	10%	0.102	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-112.5	-12.6	-170	-63.4	-75.9	0	0	0	115.7	L381 S384 H389 K390 D482 L485	L381-H387 HydrophobicContact CB-CB 4.37Å; L381-H387 HydrophobicContact CD2-CB 3.99Å; L381-H387 HydrophobicContact CG-CB 4.04Å; S384-H387 PolarHBondContact O-N 3.25Å; S384-H387 PolarHBondContact OG-CD2 3.14Å; S384-H387 PolarHBondContact OG-N 2.96Å; H387-H389 PolarHBondContact O-N 3.29Å; H387-K390 PolarHBondContact ND1-NZ 3.24Å; H387-K390 VanDerWaalsContact ND1-NZ 3.15Å; H387-K390 PolarHBondContact O-N 3.44Å; H387-K390 VanDerWaalsContact O-N 3.12Å; H387-D482 IonicContact CD2-OD1 3.37Å; H387-D482 PolarHBondContact CD2-OD1 2.64Å; H387-D482 IonicContact NE2-OD1 2.82Å; H387-L485 HydrophobicContact CB-CD1 4.03Å; H387-L485 WeakPolarHBondContact CD2-CD1 3.11Å
388	R	98.6	Very high	98.8	Very high	99 Å²	99	40.9 Å²	40.9	37%	0.374	18%	0.176	S	C	.	.	G	3₁₀ helix	trans	-56.2	-24.4	-178.8	65.6	179.4	-65.2	154.4	6.6	114.4	I237 L381 S384 K390 L391	I237-R388 PolarHBondContact O-NH2 3.36Å; L381-R388 WeakPolarHBondContact O-CA 3.3Å; L381-R388 PolarHBondContact O-N 3.14Å; S384-R388 WeakPolarHBondContact O-CB 3.4Å; S384-R388 WeakPolarHBondContact O-CG 3.25Å; S384-R388 PolarHBondContact O-N 3.24Å; R388-K390 PolarHBondContact O-N 2.89Å; R388-K390 VanDerWaalsContact O-N 3.1Å; R388-L391 PolarHBondContact O-N 3.11Å
389	H	98.7	Very high	98.8	Very high	103 Å²	103	40.9 Å²	40.9	48%	0.477	18%	0.176	S	C	.	.	G	3₁₀ helix	trans	-59.6	-21.1	179.2	68.5	-92	0	0	0	113.6	R386 H387 L391 N392	R386-H389 PolarHBondContact O-CE1 3.12Å; R386-H389 PolarHBondContact O-ND1 3.32Å; H387-H389 PolarHBondContact O-N 3.29Å; H389-L391 PolarHBondContact O-N 3.47Å; H389-N392 WeakPolarHBondContact CA-OD1 3.38Å; H389-N392 WeakPolarHBondContact O-CB 3.16Å; H389-N392 PolarHBondContact O-N 2.88Å; H389-N392 VanDerWaalsContact O-N 3.13Å; H389-N392 PolarHBondContact O-ND2 3.32Å; H389-N392 PolarHBondContact O-OD1 3.49Å
390	K	98.7	Very high	98.8	Very high	43 Å²	43	41 Å²	41	19%	0.187	18%	0.177	C	C	.	.	G	3₁₀ helix	trans	-65.6	-15.3	174.4	-66.2	168.9	-179.4	168	0	113.2	F354 L381 H387 R388 Q510	F354-K390 HydrophobicContact CD1-CB 3.96Å; F354-K390 VanDerWaalsContact CD1-O 3.24Å; F354-K390 WeakPolarHBondContact CD1-O 3.47Å; F354-K390 HydrophobicContact CD2-CB 4.27Å; F354-K390 HydrophobicContact CE1-CB 4.08Å; F354-K390 HydrophobicContact CE2-CB 4.37Å; F354-K390 HydrophobicContact CE2-CD 4.27Å; F354-K390 HydrophobicContact CG-CB 4.06Å; F354-K390 HydrophobicContact CZ-CB 4.28Å; L381-K390 HydrophobicContact CD2-CD 3.87Å; H387-K390 PolarHBondContact ND1-NZ 3.24Å; H387-K390 VanDerWaalsContact ND1-NZ 3.15Å; H387-K390 PolarHBondContact O-N 3.44Å; H387-K390 VanDerWaalsContact O-N 3.12Å; R388-K390 PolarHBondContact O-N 2.89Å; R388-K390 VanDerWaalsContact O-N 3.1Å; K390-Q510 VanDerWaalsContact CD-O 3.32Å; K390-Q510 WeakPolarHBondContact CD-O 3.31Å; K390-Q510 VanDerWaalsContact CE-O 3.24Å; K390-Q510 WeakPolarHBondContact CE-O 3.33Å; K390-Q510 PolarHBondContact NZ-O 3.39Å
391	L	98.8	Very high	98.8	Very high	2 Å²	2	41 Å²	41	1%	0.01	18%	0.176	C	C	.	.	G	3₁₀ helix	trans	-110.1	17.2	175.4	-61.6	92.6	0	0	0	112.4	A346 F354 I357 L381 L382 R388 H389 G393 V394	A346-L391 HydrophobicContact CB-CD2 3.69Å; A346-L391 HydrophobicContact CB-CG 4.07Å; F354-L391 HydrophobicContact CD1-CD1 4.35Å; F354-L391 HydrophobicContact CD1-CG 4.14Å; F354-L391 HydrophobicContact CE1-CD1 3.7Å; F354-L391 HydrophobicContact CE1-CD2 4.5Å; F354-L391 HydrophobicContact CE1-CG 3.84Å; I357-L391 HydrophobicContact CD1-CB 4.49Å; L381-L391 HydrophobicContact CB-CD1 3.94Å; L382-L391 HydrophobicContact CD1-CD2 4.26Å; L382-L391 HydrophobicContact CD2-CB 3.87Å; L382-L391 HydrophobicContact CD2-CD1 4.28Å; L382-L391 HydrophobicContact CD2-CD2 4.08Å; L382-L391 HydrophobicContact CD2-CG 4.3Å; L382-L391 HydrophobicContact CG-CD1 4.39Å; L382-L391 HydrophobicContact CG-CD2 3.95Å; R388-L391 PolarHBondContact O-N 3.11Å; H389-L391 PolarHBondContact O-N 3.47Å; L391-G393 PolarHBondContact O-N 3.06Å; L391-V394 HydrophobicContact CB-CB 4.36Å; L391-V394 HydrophobicContact CB-CG1 4.26Å; L391-V394 VanDerWaalsContact O-CB 3.24Å; L391-V394 WeakPolarHBondContact O-CB 3.28Å; L391-V394 VanDerWaalsContact O-CG1 3.23Å; L391-V394 WeakPolarHBondContact O-CG1 3.47Å; L391-V394 PolarHBondContact O-N 3.28Å
392	N	98.7	Very high	98.8	Very high	95 Å²	95	41 Å²	41	51%	0.508	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.7	130.6	176.7	-78.8	-9.7	0	0	0	110.9	H389	H389-N392 WeakPolarHBondContact CA-OD1 3.38Å; H389-N392 WeakPolarHBondContact O-CB 3.16Å; H389-N392 PolarHBondContact O-N 2.88Å; H389-N392 VanDerWaalsContact O-N 3.13Å; H389-N392 PolarHBondContact O-ND2 3.32Å; H389-N392 PolarHBondContact O-OD1 3.49Å
393	G	98.8	Very high	98.8	Very high	0 Å²	0	41 Å²	41	0%	0	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	99.3	-11.6	-173.9	0	0	0	0	0	113.9	I357 N358 L391 E395 R396	I357-G393 VanDerWaalsContact CG2-C 3.45Å; I357-G393 WeakPolarHBondContact CG2-O 3.31Å; N358-G393 WeakPolarHBondContact OD1-CA 3.37Å; L391-G393 PolarHBondContact O-N 3.06Å; G393-E395 VanDerWaalsContact C-OE2 3.29Å; G393-E395 WeakPolarHBondContact CA-OE1 3.12Å; G393-E395 WeakPolarHBondContact CA-OE2 3.26Å; G393-E395 PolarHBondContact N-OE1 2.98Å; G393-E395 PolarHBondContact N-OE2 3.21Å; G393-E395 VanDerWaalsContact N-OE2 3.13Å; G393-E395 PolarHBondContact O-N 2.79Å; G393-R396 WeakPolarHBondContact O-CB 3.5Å; G393-R396 PolarHBondContact O-N 2.89Å
394	V	98.9	Very high	98.8	Very high	4 Å²	4	40.7 Å²	40.7	2%	0.024	18%	0.175	C	C	.	.	G	3₁₀ helix	trans	-58.9	-28.9	178.3	69.1	0	0	0	0	112.8	V238 I357 V373 L382 L391 R396 A397 V400	V238-V394 HydrophobicContact CG1-CG1 4.36Å; V238-V394 HydrophobicContact CG1-CG2 4.23Å; I357-V394 HydrophobicContact CD1-CB 4.31Å; V373-V394 HydrophobicContact CB-CG2 4.19Å; V373-V394 HydrophobicContact CG1-CG2 4.03Å; V373-V394 HydrophobicContact CG2-CG2 4.3Å; L382-V394 HydrophobicContact CD2-CG1 4.14Å; L391-V394 HydrophobicContact CB-CB 4.36Å; L391-V394 HydrophobicContact CB-CG1 4.26Å; L391-V394 VanDerWaalsContact O-CB 3.24Å; L391-V394 WeakPolarHBondContact O-CB 3.28Å; L391-V394 VanDerWaalsContact O-CG1 3.23Å; L391-V394 WeakPolarHBondContact O-CG1 3.47Å; L391-V394 PolarHBondContact O-N 3.28Å; V394-R396 PolarHBondContact O-N 3.41Å; V394-A397 WeakPolarHBondContact O-CB 3.45Å; V394-A397 PolarHBondContact O-N 2.92Å; V394-V400 HydrophobicContact CG2-CG1 4.37Å; V394-V400 HydrophobicContact CG2-CG2 3.8Å
395	E	98.8	Very high	98.8	Very high	74 Å²	74	41.3 Å²	41.3	35%	0.346	18%	0.178	S	C	.	.	G	3₁₀ helix	trans	-62.4	-21.2	175.2	68.9	-74.7	174.3	0	0	113.2	W240 G393	W240-E395 VanDerWaalsContact CD1-O 3.23Å; W240-E395 PolarHBondContact NE1-O 3.24Å; G393-E395 VanDerWaalsContact C-OE2 3.29Å; G393-E395 WeakPolarHBondContact CA-OE1 3.12Å; G393-E395 WeakPolarHBondContact CA-OE2 3.26Å; G393-E395 PolarHBondContact N-OE1 2.98Å; G393-E395 PolarHBondContact N-OE2 3.21Å; G393-E395 VanDerWaalsContact N-OE2 3.13Å; G393-E395 PolarHBondContact O-N 2.79Å
396	R	98.8	Very high	98.8	Very high	50 Å²	50	33.3 Å²	33.3	19%	0.189	15%	0.149	C	C	.	.	G	3₁₀ helix	trans	-82.7	-17.3	176.1	-59.7	172.4	65.6	-175.2	3.6	112.8	N358 A361 D362 E365 G393 V394 R420	N358-R396 PolarHBondContact O-NH1 3.14Å; N358-R396 VanDerWaalsContact O-NH1 3.15Å; N358-R396 PolarHBondContact OD1-NH1 2.87Å; A361-R396 HydrophobicContact CB-CB 4.12Å; A361-R396 VanDerWaalsContact CB-CZ 3.45Å; D362-R396 IonicContact OD1-CZ 2.68Å; D362-R396 IonicContact OD1-NH1 2.65Å; D362-R396 PolarHBondContact OD1-NH1 3.3Å; D362-R396 IonicContact OD1-NH2 3.83Å; D362-R396 PolarHBondContact OD1-NH2 2.94Å; E365-R396 IonicContact OE1-CZ 3.25Å; E365-R396 IonicContact OE1-NE 2.81Å; E365-R396 PolarHBondContact OE1-NE 2.86Å; E365-R396 IonicContact OE1-NH2 3.83Å; E365-R396 PolarHBondContact OE1-NH2 3.02Å; E365-R396 IonicContact OE2-CZ 2.79Å; E365-R396 IonicContact OE2-NH2 3.24Å; E365-R396 PolarHBondContact OE2-NH2 2.81Å; G393-R396 WeakPolarHBondContact O-CB 3.5Å; G393-R396 PolarHBondContact O-N 2.89Å; V394-R396 PolarHBondContact O-N 3.41Å; R396-R420 PolarHBondContact O-NH1 3.21Å
397	A	98.9	Very high	98.8	Very high	0 Å²	0	28 Å²	28	0%	0	13%	0.129	C	C	.	.			trans	-61.7	146	-178.3	0	0	0	0	0	112.4	W240 L371 V373 V394 V400 R420	W240-A397 WeakPolarHBondContact CZ2-O 3.43Å; L371-A397 HydrophobicContact CD2-CB 4.42Å; L371-A397 HydrophobicContact CG-CB 4.28Å; V373-A397 HydrophobicContact CB-CB 4.3Å; V373-A397 HydrophobicContact CG2-CB 3.67Å; V394-A397 WeakPolarHBondContact O-CB 3.45Å; V394-A397 PolarHBondContact O-N 2.92Å; A397-V400 HydrophobicContact CB-CG2 4.11Å; A397-R420 WeakPolarHBondContact O-CD 3.08Å
398	N	98.9	Very high	98.8	Very high	51 Å²	51	27 Å²	27	27%	0.273	12%	0.124	S	C	.	.	S	Bend	trans	-78.9	-28.2	173	-56.4	103.6	0	0	0	111.5	W370 L371 R420	W370-N398 HydrophobicContact CD2-CB 3.47Å; W370-N398 VanDerWaalsContact CD2-CB 3.47Å; W370-N398 HydrophobicContact CE3-CB 3.67Å; W370-N398 HydrophobicContact CG-CB 4.13Å; W370-N398 HydrophobicContact CH2-CB 3.7Å; W370-N398 HydrophobicContact CZ2-CB 3.51Å; W370-N398 HydrophobicContact CZ3-CB 3.78Å; L371-N398 PolarHBondContact N-OD1 2.96Å; L371-N398 WeakPolarHBondContact O-CB 3.2Å; L371-N398 PolarHBondContact O-N 3.44Å; N398-R420 WeakPolarHBondContact O-CB 3.28Å; N398-R420 PolarHBondContact O-N 3.07Å
399	S	98.9	Very high	98.8	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	154.2	173.8	54	0	0	0	0	112.6	W370 L371 H372 V373 L418	W370-S399 PolarHBondContact NE1-OG 3.32Å; L371-S399 PolarHBondContact O-N 3.44Å; H372-S399 WeakPolarHBondContact CA-O 3.46Å; H372-S399 PolarHBondContact ND1-O 3.19Å; H372-S399 PolarHBondContact ND1-OG 2.94Å; V373-S399 PolarHBondContact N-O 3.48Å; S399-L418 CarbonylContact C-O 3.49Å; S399-L418 WeakPolarHBondContact CA-O 3.45Å; S399-L418 VanDerWaalsContact CB-O 3.24Å; S399-L418 WeakPolarHBondContact CB-O 3.47Å
400	V	99	Very high	98.8	Very high	2 Å²	2	18 Å²	18	1%	0.012	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	127.4	-179.9	-176.9	0	0	0	0	110	V238 W240 V373 V394 A397 L418	V238-V400 HydrophobicContact CG1-CG2 4.2Å; W240-V400 HydrophobicContact CH2-CG2 4.46Å; W240-V400 HydrophobicContact CZ2-CG2 4.14Å; V373-V400 HydrophobicContact CB-CG2 4.41Å; V373-V400 WeakPolarHBondContact O-CA 3.48Å; V394-V400 HydrophobicContact CG2-CG1 4.37Å; V394-V400 HydrophobicContact CG2-CG2 3.8Å; A397-V400 HydrophobicContact CB-CG2 4.11Å; V400-L418 HydrophobicContact CB-CB 4.36Å; V400-L418 PolarHBondContact N-O 2.73Å; V400-L418 PolarHBondContact O-N 3.47Å
401	T	99	Very high	98.8	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	134.9	164.9	-69.6	0	0	0	0	108.8	S256 N257 H372 V373 G375 A376 A416	S256-T401 VanDerWaalsContact CB-OG1 3.28Å; S256-T401 WeakPolarHBondContact CB-OG1 3.3Å; N257-T401 VanDerWaalsContact OD1-CB 3.28Å; N257-T401 WeakPolarHBondContact OD1-CB 3.38Å; N257-T401 PolarHBondContact OD1-OG1 3.05Å; H372-T401 PolarHBondContact CE1-N 3.46Å; H372-T401 PolarHBondContact CE1-OG1 3.41Å; H372-T401 PolarHBondContact NE2-OG1 3.06Å; V373-T401 PolarHBondContact O-N 2.83Å; G375-T401 CarbonylContact C-O 3.57Å; G375-T401 WeakPolarHBondContact CA-O 3.4Å; G375-T401 PolarHBondContact N-O 2.68Å; A376-T401 HydrophobicContact CB-CG2 3.82Å; A376-T401 PolarHBondContact N-O 3.49Å; T401-A416 WeakPolarHBondContact CA-O 3.46Å
402	W	98.9	Very high	98.8	Very high	1 Å²	1	22.4 Å²	22.4	0%	0.004	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	126.2	175	-179	6.5	0	0	0	110.6	M234 I237 G379 L382 M383 P404 M408 A416	M234-W402 HydrophobicContact CB-CE3 4.05Å; M234-W402 HydrophobicContact CB-CZ3 3.77Å; M234-W402 HydrophobicContact CE-CB 4.06Å; M234-W402 HydrophobicContact CE-CD2 3.55Å; M234-W402 HydrophobicContact CE-CE3 3.35Å; M234-W402 HydrophobicContact CE-CG 3.91Å; M234-W402 HydrophobicContact CE-CZ3 3.99Å; M234-W402 HydrophobicContact CG-CE3 4.16Å; M234-W402 HydrophobicContact CG-CH2 4.46Å; M234-W402 HydrophobicContact CG-CZ3 3.85Å; I237-W402 HydrophobicContact CG2-CH2 3.98Å; I237-W402 HydrophobicContact CG2-CZ3 4.15Å; G379-W402 VanDerWaalsContact C-NE1 3.32Å; G379-W402 WeakPolarHBondContact O-CZ2 3.45Å; L382-W402 HydrophobicContact CD1-CZ3 4.44Å; M383-W402 HydrophobicContact CG-CH2 4.34Å; M383-W402 HydrophobicContact CG-CZ2 4.03Å; M383-W402 HydrophobicContact SD-CH2 3.87Å; M383-W402 HydrophobicContact SD-CZ2 4.09Å; W402-P404 WeakPolarHBondContact O-CD 3.2Å; W402-M408 HydrophobicContact CZ2-CE 4.17Å; W402-M408 HydrophobicContact CZ2-SD 3.52Å; W402-M408 VanDerWaalsContact CZ2-SD 3.52Å; W402-M408 PolarHBondContact NE1-SD 2.76Å; W402-A416 PolarHBondContact N-O 3.35Å; W402-A416 PolarHBondContact O-N 3.39Å
403	N	98.9	Very high	98.8	Very high	5 Å²	5	21.8 Å²	21.8	3%	0.027	11%	0.11	C	C	.	.			trans	-108.3	98.7	177	-55	9.4	0	0	0	112	G253 A376 H405 K406 S415	G253-N403 PolarHBondContact N-ND2 3.37Å; A376-N403 VanDerWaalsContact O-CB 3.23Å; A376-N403 WeakPolarHBondContact O-CB 3.45Å; A376-N403 PolarHBondContact O-N 2.96Å; N403-H405 PolarHBondContact ND2-CE1 2.99Å; N403-H405 PolarHBondContact ND2-NE2 3.44Å; N403-H405 PolarHBondContact O-N 3.33Å; N403-H405 VanDerWaalsContact O-N 3.13Å; N403-K406 HydrophobicContact CB-CD 4.31Å; N403-K406 HydrophobicContact CB-CG 4.03Å; N403-K406 WeakPolarHBondContact ND2-CE 3.36Å; N403-K406 PolarHBondContact O-N 2.91Å; N403-K406 VanDerWaalsContact O-N 3.12Å; N403-S415 WeakPolarHBondContact OD1-CB 3.33Å; N403-S415 PolarHBondContact OD1-OG 2.94Å
404	P	98.9	Very high	98.8	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	11%	0.11	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.1	-27.4	167.3	-28.2	34.3	0	0	0	113.9	M234 W402 K406 M408 G409 V410 C414 F465	M234-P404 HydrophobicContact CE-CG 4.3Å; W402-P404 WeakPolarHBondContact O-CD 3.2Å; P404-K406 PolarHBondContact O-N 3.26Å; P404-K406 VanDerWaalsContact O-N 3.09Å; P404-M408 HydrophobicContact CB-CB 4.48Å; P404-M408 HydrophobicContact CB-SD 3.91Å; P404-M408 HydrophobicContact CG-SD 4.19Å; P404-M408 CarbonylContact O-C 3.19Å; P404-M408 WeakPolarHBondContact O-CB 3.34Å; P404-M408 PolarHBondContact O-N 3.15Å; P404-G409 PolarHBondContact O-N 2.92Å; P404-V410 HydrophobicContact CB-CB 4.18Å; P404-V410 HydrophobicContact CB-CG2 3.56Å; P404-V410 PolarHBondContact O-N 3.47Å; P404-C414 VanDerWaalsContact CD-O 3.31Å; P404-C414 WeakPolarHBondContact CD-O 3.48Å; P404-F465 HydrophobicContact CB-CD1 4.32Å; P404-F465 HydrophobicContact CB-CD2 4.03Å; P404-F465 HydrophobicContact CB-CE1 4.25Å; P404-F465 HydrophobicContact CB-CE2 3.99Å; P404-F465 HydrophobicContact CB-CG 4.21Å; P404-F465 HydrophobicContact CB-CZ 4.08Å; P404-F465 HydrophobicContact CG-CD1 3.99Å; P404-F465 HydrophobicContact CG-CD2 4.47Å; P404-F465 HydrophobicContact CG-CE1 3.66Å; P404-F465 HydrophobicContact CG-CE2 4.21Å; P404-F465 HydrophobicContact CG-CG 4.38Å; P404-F465 HydrophobicContact CG-CZ 3.77Å
405	H	98.9	Very high	98.8	Very high	13 Å²	13	21.6 Å²	21.6	6%	0.06	11%	0.108	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.9	-0.1	178.1	68.6	-116.8	0	0	0	116.1	S193 N403 V410 L412 C414	S193-H405 VanDerWaalsContact CB-O 3.27Å; S193-H405 WeakPolarHBondContact CB-O 3.42Å; S193-H405 PolarHBondContact OG-O 3.25Å; N403-H405 PolarHBondContact ND2-CE1 2.99Å; N403-H405 PolarHBondContact ND2-NE2 3.44Å; N403-H405 PolarHBondContact O-N 3.33Å; N403-H405 VanDerWaalsContact O-N 3.13Å; H405-V410 WeakPolarHBondContact CA-O 3.33Å; H405-V410 VanDerWaalsContact CB-O 3.26Å; H405-V410 WeakPolarHBondContact CB-O 3.22Å; H405-L412 HydrophobicContact CB-CD2 3.91Å; H405-L412 HydrophobicContact CB-CG 4.43Å; H405-L412 WeakPolarHBondContact CD2-CD2 3.36Å; H405-L412 VanDerWaalsContact CG-CD2 3.48Å; H405-C414 HydrophobicContact CB-CB 4.03Å; H405-C414 PolarHBondContact N-O 2.65Å; H405-C414 PolarHBondContact ND1-N 2.81Å; H405-C414 PolarHBondContact ND1-O 3.12Å
406	K	98.8	Very high	98.8	Very high	24 Å²	24	18 Å²	18	10%	0.104	9%	0.092	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.3	-96.4	172.7	-59.1	-174.1	-176.2	167.1	0	109.6	L192 A376 W377 N403 P404 M408 G409	L192-K406 HydrophobicContact CB-CD 4.1Å; L192-K406 HydrophobicContact CB-CG 4.42Å; L192-K406 HydrophobicContact CD1-CD 4.11Å; A376-K406 WeakPolarHBondContact O-CD 3.02Å; W377-K406 HydrophobicContact CB-CD 4.24Å; W377-K406 HydrophobicContact CE3-CB 3.52Å; W377-K406 HydrophobicContact CE3-CD 4.02Å; W377-K406 HydrophobicContact CE3-CG 4.4Å; W377-K406 HydrophobicContact CZ3-CB 3.74Å; N403-K406 HydrophobicContact CB-CD 4.31Å; N403-K406 HydrophobicContact CB-CG 4.03Å; N403-K406 WeakPolarHBondContact ND2-CE 3.36Å; N403-K406 PolarHBondContact O-N 2.91Å; N403-K406 VanDerWaalsContact O-N 3.12Å; P404-K406 PolarHBondContact O-N 3.26Å; P404-K406 VanDerWaalsContact O-N 3.09Å; K406-M408 VanDerWaalsContact C-N 3.27Å; K406-M408 PolarHBondContact O-N 3.1Å; K406-G409 PolarHBondContact O-N 3.08Å; K406-G409 VanDerWaalsContact O-N 3.14Å
407	M	98.7	Very high	98.9	Very high	1 Å²	1	15.7 Å²	15.7	1%	0.005	8%	0.083	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-24.8	-169	-167.9	59.8	-138.1	0	0	113.6	W377 L381 G409 I481 C484 T512	W377-M407 HydrophobicContact CE3-CB 4Å; W377-M407 HydrophobicContact CH2-CB 4.47Å; W377-M407 HydrophobicContact CH2-SD 3.7Å; W377-M407 HydrophobicContact CZ2-SD 4.46Å; W377-M407 HydrophobicContact CZ3-CB 3.68Å; W377-M407 HydrophobicContact CZ3-CG 4.34Å; W377-M407 HydrophobicContact CZ3-SD 3.87Å; L381-M407 HydrophobicContact CD1-CG 4.21Å; M407-G409 VanDerWaalsContact C-N 3.34Å; M407-I481 HydrophobicContact CE-CB 4.39Å; M407-I481 HydrophobicContact CE-CG1 4.21Å; M407-I481 HydrophobicContact CE-CG2 4.45Å; M407-I481 HydrophobicContact CG-CG1 4.06Å; M407-C484 HydrophobicContact CE-CB 3.37Å; M407-T512 HydrophobicContact CE-CG2 4.39Å; M407-T512 HydrophobicContact SD-CG2 4.39Å
408	M	98.8	Very high	98.9	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	8%	0.083	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.1	-0.3	-179.6	-51.8	168.8	70.3	0	0	112.7	M383 W402 P404 K406 V410 F465 M468 F477	M383-M408 HydrophobicContact CE-CE 4.02Å; M383-M408 HydrophobicContact CG-CE 4.03Å; M383-M408 HydrophobicContact CG-SD 4.49Å; M383-M408 HydrophobicContact SD-CE 4.16Å; W402-M408 HydrophobicContact CZ2-CE 4.17Å; W402-M408 HydrophobicContact CZ2-SD 3.52Å; W402-M408 VanDerWaalsContact CZ2-SD 3.52Å; W402-M408 PolarHBondContact NE1-SD 2.76Å; P404-M408 HydrophobicContact CB-CB 4.48Å; P404-M408 HydrophobicContact CB-SD 3.91Å; P404-M408 HydrophobicContact CG-SD 4.19Å; P404-M408 CarbonylContact O-C 3.19Å; P404-M408 WeakPolarHBondContact O-CB 3.34Å; P404-M408 PolarHBondContact O-N 3.15Å; K406-M408 VanDerWaalsContact C-N 3.27Å; K406-M408 PolarHBondContact O-N 3.1Å; M408-V410 VanDerWaalsContact C-N 3.28Å; M408-V410 PolarHBondContact O-N 3.44Å; M408-F465 HydrophobicContact CE-CE2 3.48Å; M408-F465 VanDerWaalsContact CE-CE2 3.48Å; M408-F465 HydrophobicContact CE-CZ 3.76Å; M408-F465 HydrophobicContact SD-CE2 4.4Å; M408-F465 HydrophobicContact SD-CZ 4.45Å; M408-M468 WeakPolarHBondContact O-CE 3.39Å; M408-F477 HydrophobicContact CB-CD1 4.01Å; M408-F477 HydrophobicContact CB-CE1 3.88Å; M408-F477 HydrophobicContact CE-CD1 4.09Å; M408-F477 HydrophobicContact CE-CD2 3.97Å; M408-F477 HydrophobicContact CE-CE1 4.11Å; M408-F477 HydrophobicContact CE-CE2 3.94Å; M408-F477 HydrophobicContact CE-CG 4.03Å; M408-F477 HydrophobicContact CE-CZ 4.03Å; M408-F477 WeakPolarHBondContact O-CE1 3.18Å
409	G	98.6	Very high	98.9	Very high	10 Å²	10	13.2 Å²	13.2	10%	0.103	7%	0.07	C	C	.	.			trans	69.3	16.9	173.7	0	0	0	0	0	115.6	P404 K406 M407	P404-G409 PolarHBondContact O-N 2.92Å; K406-G409 PolarHBondContact O-N 3.08Å; K406-G409 VanDerWaalsContact O-N 3.14Å; M407-G409 VanDerWaalsContact C-N 3.34Å
410	V	98.9	Very high	98.8	Very high	4 Å²	4	18.8 Å²	18.8	2%	0.024	9%	0.091	C	C	.	.	P	Polyproline II helix	trans	-66.3	138.4	175.1	-175.3	0	0	0	0	109.5	P404 H405 M408 C414 K464 F465 M468	P404-V410 HydrophobicContact CB-CB 4.18Å; P404-V410 HydrophobicContact CB-CG2 3.56Å; P404-V410 PolarHBondContact O-N 3.47Å; H405-V410 WeakPolarHBondContact CA-O 3.33Å; H405-V410 VanDerWaalsContact CB-O 3.26Å; H405-V410 WeakPolarHBondContact CB-O 3.22Å; M408-V410 VanDerWaalsContact C-N 3.28Å; M408-V410 PolarHBondContact O-N 3.44Å; V410-C414 HydrophobicContact CB-CB 4.26Å; V410-C414 HydrophobicContact CG1-CB 3.74Å; V410-K464 HydrophobicContact CG1-CD 4.21Å; V410-K464 HydrophobicContact CG1-CG 3.82Å; V410-F465 HydrophobicContact CG1-CB 4.1Å; V410-F465 HydrophobicContact CG2-CB 4.24Å; V410-F465 HydrophobicContact CG2-CD2 3.64Å; V410-F465 HydrophobicContact CG2-CE2 4.39Å; V410-F465 HydrophobicContact CG2-CG 4.2Å; V410-M468 HydrophobicContact CB-CE 4.36Å; V410-M468 HydrophobicContact CB-SD 4.07Å; V410-M468 HydrophobicContact CG1-SD 4.11Å; V410-M468 HydrophobicContact CG2-CE 3.8Å; V410-M468 HydrophobicContact CG2-SD 3.8Å
411	P	98.8	Very high	98.8	Very high	27 Å²	27	22.5 Å²	22.5	18%	0.175	11%	0.108	C	C	.	.	P	Polyproline II helix	trans	-56.9	147.8	174.1	-27.9	36.9	0	0	0	113.2	E204 K464	E204-P411 HydrophobicContact CG-CB 3.8Å; E204-P411 HydrophobicContact CG-CG 4.13Å; E204-P411 WeakPolarHBondContact OE1-CB 3.31Å; P411-K464 HydrophobicContact CB-CD 4.39Å; P411-K464 WeakPolarHBondContact O-CE 2.93Å
412	L	98.7	Very high	98.7	Very high	109 Å²	109	29.5 Å²	29.5	57%	0.571	13%	0.134	S	C	*	.	S	Bend	trans	-71.4	140.3	-178.2	-76.2	164.1	0	0	0	111	H405	H405-L412 HydrophobicContact CB-CD2 3.91Å; H405-L412 HydrophobicContact CB-CG 4.43Å; H405-L412 WeakPolarHBondContact CD2-CD2 3.36Å; H405-L412 VanDerWaalsContact CG-CD2 3.48Å
413	Q	98.6	Very high	98.6	Very high	82 Å²	82	31.5 Å²	31.5	38%	0.383	16%	0.155	S	C	.	.	P	Polyproline II helix	cis	-92.2	160.9	-8.9	-62.8	-176	-44.7	0	0	111.4	P251 K464	P251-Q413 VanDerWaalsContact CB-OE1 3.27Å; P251-Q413 PolarHBondContact O-NE2 3.03Å; P251-Q413 PolarHBondContact O-OE1 3.05Å; Q413-K464 WeakPolarHBondContact O-CE 3.34Å; Q413-K464 PolarHBondContact O-NZ 3.19Å
414	C	98.9	Very high	98.6	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	16%	0.157	C	C	.	.			trans	-169.9	94.6	173.2	-176.4	0	0	0	0	109	F249 P404 H405 V410	F249-C414 VanDerWaalsContact CE1-SG 3.55Å; P404-C414 VanDerWaalsContact CD-O 3.31Å; P404-C414 WeakPolarHBondContact CD-O 3.48Å; H405-C414 HydrophobicContact CB-CB 4.03Å; H405-C414 PolarHBondContact N-O 2.65Å; H405-C414 PolarHBondContact ND1-N 2.81Å; H405-C414 PolarHBondContact ND1-O 3.12Å; V410-C414 HydrophobicContact CB-CB 4.26Å; V410-C414 HydrophobicContact CG1-CB 3.74Å
415	S	98.9	Very high	98.6	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	134	-176.1	176.8	0	0	0	0	109.8	F249 S250 G253 S256 N403	F249-S415 CarbonylContact C-O 3.58Å; F249-S415 VanDerWaalsContact CA-O 3.23Å; F249-S415 WeakPolarHBondContact CA-O 3.34Å; F249-S415 WeakPolarHBondContact CD1-O 3.32Å; S250-S415 PolarHBondContact N-O 3.26Å; G253-S415 WeakPolarHBondContact CA-OG 3.46Å; G253-S415 PolarHBondContact N-OG 3.43Å; G253-S415 VanDerWaalsContact N-OG 3.17Å; S256-S415 PolarHBondContact OG-OG 3.22Å; S256-S415 VanDerWaalsContact OG-OG 3.08Å; N403-S415 WeakPolarHBondContact OD1-CB 3.33Å; N403-S415 PolarHBondContact OD1-OG 2.94Å
416	A	98.9	Very high	98.6	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	139.5	179.9	0	0	0	0	0	110.9	L231 M234 F249 T401 W402 L418	L231-A416 HydrophobicContact CD2-CB 3.82Å; M234-A416 HydrophobicContact CE-CB 3.75Å; M234-A416 HydrophobicContact SD-CB 4.29Å; F249-A416 HydrophobicContact CD1-CB 4.3Å; F249-A416 HydrophobicContact CE1-CB 4.16Å; F249-A416 HydrophobicContact CZ-CB 4.38Å; T401-A416 WeakPolarHBondContact CA-O 3.46Å; W402-A416 PolarHBondContact N-O 3.35Å; W402-A416 PolarHBondContact O-N 3.39Å; A416-L418 HydrophobicContact CB-CD2 4.34Å
417	I	98.9	Very high	98.5	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	123.2	158.9	178	60.6	0	0	0	107.7	G247 I248 Y259 V419	G247-I417 CarbonylContact C-O 3.5Å; G247-I417 WeakPolarHBondContact CA-O 3.13Å; I248-I417 HydrophobicContact CG2-CG2 3.63Å; I248-I417 PolarHBondContact N-O 3.16Å; I248-I417 WeakPolarHBondContact O-CG2 3.2Å; I248-I417 PolarHBondContact O-N 2.84Å; Y259-I417 HydrophobicContact CD2-CG2 3.98Å; Y259-I417 HydrophobicContact CG-CG2 4.11Å; I417-V419 HydrophobicContact CG1-CG2 4.12Å
418	L	98.9	Very high	98.5	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	139.1	173.8	-52.4	178.1	0	0	0	108.4	L231 M234 R235 V238 W240 S399 V400 A416	L231-L418 HydrophobicContact CD2-CD2 3.64Å; M234-L418 HydrophobicContact CB-CD1 3.93Å; M234-L418 HydrophobicContact CB-CD2 4.32Å; R235-L418 HydrophobicContact CG-CB 4.27Å; R235-L418 HydrophobicContact CG-CD1 4.17Å; R235-L418 HydrophobicContact CG-CD2 4.12Å; R235-L418 HydrophobicContact CG-CG 4.42Å; V238-L418 HydrophobicContact CG2-CD1 3.92Å; W240-L418 HydrophobicContact CH2-CB 3.92Å; W240-L418 HydrophobicContact CZ3-CB 3.88Å; S399-L418 CarbonylContact C-O 3.49Å; S399-L418 WeakPolarHBondContact CA-O 3.45Å; S399-L418 VanDerWaalsContact CB-O 3.24Å; S399-L418 WeakPolarHBondContact CB-O 3.47Å; V400-L418 HydrophobicContact CB-CB 4.36Å; V400-L418 PolarHBondContact N-O 2.73Å; V400-L418 PolarHBondContact O-N 3.47Å; A416-L418 HydrophobicContact CB-CD2 4.34Å
419	V	98.9	Very high	98.5	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	128.5	-176.7	-173.4	0	0	0	0	108.5	W240 G245 D246 I263 W370 I417 E421 L424 L425	W240-V419 VanDerWaalsContact CH2-C 3.5Å; W240-V419 WeakPolarHBondContact CZ3-O 3.49Å; G245-V419 CarbonylContact C-O 3.48Å; G245-V419 WeakPolarHBondContact CA-O 3.38Å; D246-V419 HydrophobicContact CB-CB 4.48Å; D246-V419 PolarHBondContact N-O 3.08Å; D246-V419 PolarHBondContact O-N 3.08Å; I263-V419 HydrophobicContact CD1-CG2 3.71Å; I263-V419 HydrophobicContact CG2-CG1 4.23Å; W370-V419 HydrophobicContact CH2-CG1 4.15Å; W370-V419 HydrophobicContact CZ2-CG1 4.43Å; I417-V419 HydrophobicContact CG1-CG2 4.12Å; V419-E421 WeakPolarHBondContact CG1-O 3.35Å; V419-L424 HydrophobicContact CG1-CD1 4.45Å; V419-L425 HydrophobicContact CG2-CD1 3.88Å; V419-L425 HydrophobicContact CG2-CG 4.05Å
420	R	98.4	Very high	98.4	Very high	116 Å²	116	35.8 Å²	35.8	44%	0.438	18%	0.182	S	C	.	.	S	Bend	trans	-69.8	-36.6	-173.3	-168.1	173.8	178.5	-171.2	0.2	112.3	W240 G245 R396 A397 N398	W240-R420 HydrophobicContact CD2-CB 4.19Å; W240-R420 HydrophobicContact CD2-CG 4.01Å; W240-R420 HydrophobicContact CE3-CB 4.33Å; W240-R420 HydrophobicContact CE3-CG 4.46Å; W240-R420 HydrophobicContact CG-CG 4.32Å; W240-R420 HydrophobicContact CH2-CB 3.92Å; W240-R420 VanDerWaalsContact CH2-N 3.3Å; W240-R420 HydrophobicContact CZ2-CB 3.7Å; W240-R420 HydrophobicContact CZ2-CG 4.27Å; W240-R420 HydrophobicContact CZ3-CB 4.21Å; G245-R420 VanDerWaalsContact CA-O 3.26Å; G245-R420 WeakPolarHBondContact CA-O 3.44Å; R396-R420 PolarHBondContact O-NH1 3.21Å; A397-R420 WeakPolarHBondContact O-CD 3.08Å; N398-R420 WeakPolarHBondContact O-CB 3.28Å; N398-R420 PolarHBondContact O-N 3.07Å
421	E	98.3	Very high	98.4	Very high	81 Å²	81	42 Å²	42	38%	0.379	21%	0.212	S	C	.	.	S	Bend	trans	-95.5	127.2	179.4	-173.7	-179.8	153.2	0	0	110.9	K267 V419 L424	K267-E421 WeakPolarHBondContact CE-OE2 3.44Å; K267-E421 IonicContact NZ-OE1 3.14Å; K267-E421 PolarHBondContact NZ-OE1 2.92Å; K267-E421 IonicContact NZ-OE2 3.57Å; K267-E421 PolarHBondContact NZ-OE2 3.01Å; V419-E421 WeakPolarHBondContact CG1-O 3.35Å; E421-L424 HydrophobicContact CB-CD1 3.78Å; E421-L424 HydrophobicContact CB-CG 4.19Å; E421-L424 HydrophobicContact CG-CD1 4.07Å; E421-L424 HydrophobicContact CG-CG 4.06Å
422	R	97	Very high	98.1	Very high	146 Å²	146	45.1 Å²	45.1	55%	0.551	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72	153.8	176.7	-70	-172.8	178.8	-165.7	10.7	111.8	E244 G245 D246 L424	E244-R422 IonicContact OE1-NH2 3.37Å; E244-R422 PolarHBondContact OE1-NH2 3.18Å; E244-R422 IonicContact OE2-CZ 2.72Å; E244-R422 IonicContact OE2-NE 3.03Å; E244-R422 PolarHBondContact OE2-NE 3.43Å; E244-R422 IonicContact OE2-NH2 2.8Å; E244-R422 PolarHBondContact OE2-NH2 3.38Å; G245-R422 WeakPolarHBondContact O-CG 3.42Å; G245-R422 PolarHBondContact O-NE 3.13Å; D246-R422 HydrophobicContact CB-CG 4.41Å; R422-L424 PolarHBondContact O-N 3.1Å
423	G	97.6	Very high	97.9	Very high	43 Å²	43	41.1 Å²	41.1	44%	0.443	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	82.8	-16.7	172.9	0	0	0	0	0	114.6	Q426 G427	G423-Q426 PolarHBondContact O-N 3.14Å; G423-G427 PolarHBondContact O-N 3.39Å
424	L	98.5	Very high	97.7	Very high	12 Å²	12	40.2 Å²	40.2	6%	0.063	23%	0.229	C	C	.	.	H	α-helix	trans	-66.3	-39.4	177	-64.6	-178.2	0	0	0	113.1	I263 K267 W370 V419 E421 R422 C428	I263-L424 HydrophobicContact CG2-CB 3.83Å; I263-L424 HydrophobicContact CG2-CD1 3.89Å; K267-L424 HydrophobicContact CB-CD1 4.46Å; K267-L424 HydrophobicContact CB-CD2 4.48Å; K267-L424 HydrophobicContact CD-CD1 4.13Å; K267-L424 HydrophobicContact CD-CD2 3.77Å; W370-L424 HydrophobicContact CH2-CD1 3.8Å; W370-L424 HydrophobicContact CZ3-CD1 3.9Å; V419-L424 HydrophobicContact CG1-CD1 4.45Å; E421-L424 HydrophobicContact CB-CD1 3.78Å; E421-L424 HydrophobicContact CB-CG 4.19Å; E421-L424 HydrophobicContact CG-CD1 4.07Å; E421-L424 HydrophobicContact CG-CG 4.06Å; R422-L424 PolarHBondContact O-N 3.1Å; L424-C428 WeakPolarHBondContact O-CB 3.42Å; L424-C428 PolarHBondContact O-N 2.57Å
425	L	98.6	Very high	97.4	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-61.5	-47	174.8	-82.3	165.8	0	0	0	110.9	D246 I248 Y259 I263 V419 N429 K452	D246-L425 HydrophobicContact CB-CD1 4.28Å; I248-L425 HydrophobicContact CG2-CD1 4.49Å; I248-L425 HydrophobicContact CG2-CD2 4.48Å; Y259-L425 HydrophobicContact CD1-CD2 3.92Å; Y259-L425 HydrophobicContact CE1-CD2 4.3Å; I263-L425 HydrophobicContact CD1-CD2 3.37Å; I263-L425 HydrophobicContact CD1-CG 3.83Å; I263-L425 HydrophobicContact CG1-CD2 4.1Å; V419-L425 HydrophobicContact CG2-CD1 3.88Å; V419-L425 HydrophobicContact CG2-CG 4.05Å; L425-N429 WeakPolarHBondContact O-CB 3.13Å; L425-N429 PolarHBondContact O-N 3.42Å; L425-N429 VanDerWaalsContact O-N 3.09Å; L425-N429 PolarHBondContact O-ND2 2.94Å; L425-N429 VanDerWaalsContact O-ND2 3.13Å; L425-K452 HydrophobicContact CB-CB 3.92Å; L425-K452 HydrophobicContact CB-CD 4.26Å; L425-K452 HydrophobicContact CB-CG 4.45Å; L425-K452 HydrophobicContact CD1-CD 4.49Å
426	Q	98.2	Very high	97.2	Very high	69 Å²	69	49.1 Å²	49.1	32%	0.322	27%	0.265	S	S	.	.	H	α-helix	trans	-60.6	-55	176.7	-174.4	68	34.6	0	0	110.7	G423 C428 N429 S430 D451 K452	G423-Q426 PolarHBondContact O-N 3.14Å; Q426-C428 VanDerWaalsContact C-N 3.31Å; Q426-C428 PolarHBondContact O-N 3.49Å; Q426-N429 PolarHBondContact O-N 3.01Å; Q426-S430 PolarHBondContact NE2-OG 2.93Å; Q426-S430 WeakPolarHBondContact O-CA 3.25Å; Q426-S430 WeakPolarHBondContact O-CB 3.49Å; Q426-S430 PolarHBondContact O-N 3.28Å; Q426-D451 PolarHBondContact NE2-OD2 3.06Å; Q426-K452 HydrophobicContact CB-CB 4.25Å
427	G	98.3	Very high	97.1	Very high	18 Å²	18	51 Å²	51	19%	0.186	27%	0.273	C	S	.	.	H	α-helix	trans	-59.6	-40.4	-178.8	0	0	0	0	0	113.1	Y266 K273 G423	Y266-G427 VanDerWaalsContact CE1-C 3.49Å; Y266-G427 WeakPolarHBondContact CE2-O 3.43Å; Y266-G427 VanDerWaalsContact CZ-O 3.29Å; Y266-G427 WeakPolarHBondContact OH-CA 3.28Å; Y266-G427 PolarHBondContact OH-O 2.97Å; K273-G427 PolarHBondContact NZ-O 2.76Å; G423-G427 PolarHBondContact O-N 3.39Å
428	C	98.4	Very high	96.9	Very high	12 Å²	12	54.1 Å²	54.1	8%	0.081	29%	0.288	C	S	.	.	H	α-helix	trans	-63.5	-46.4	178.6	-179.9	0	0	0	0	112.1	Y266 K273 L424 Q426	Y266-C428 HydrophobicContact CD1-CB 3.92Å; Y266-C428 HydrophobicContact CD2-CB 4.31Å; Y266-C428 HydrophobicContact CG-CB 3.75Å; K273-C428 WeakPolarHBondContact CE-O 3.46Å; L424-C428 WeakPolarHBondContact O-CB 3.42Å; L424-C428 PolarHBondContact O-N 2.57Å; Q426-C428 VanDerWaalsContact C-N 3.31Å; Q426-C428 PolarHBondContact O-N 3.49Å
429	N	98.5	Very high	96.7	Very high	14 Å²	14	59.4 Å²	59.4	8%	0.075	32%	0.322	C	S	.	.	H	α-helix	trans	-104	-21.5	-164.4	-58.6	-37.1	0	0	0	114.3	M262 L425 Q426 M431 D451 K452	M262-N429 WeakPolarHBondContact CE-OD1 3.35Å; L425-N429 WeakPolarHBondContact O-CB 3.13Å; L425-N429 PolarHBondContact O-N 3.42Å; L425-N429 VanDerWaalsContact O-N 3.09Å; L425-N429 PolarHBondContact O-ND2 2.94Å; L425-N429 VanDerWaalsContact O-ND2 3.13Å; Q426-N429 PolarHBondContact O-N 3.01Å; N429-M431 PolarHBondContact O-N 3.14Å; N429-D451 CarbonylContact C-O 3.59Å; N429-K452 PolarHBondContact ND2-O 2.88Å
430	S	97.1	Very high	96.6	Very high	19 Å²	19	66 Å²	66	13%	0.133	36%	0.358	C	S	.	.			trans	-58	131.7	-171.7	171.9	0	0	0	0	113.6	K273 Q426 C432 D451	K273-S430 WeakPolarHBondContact CE-O 3.29Å; K273-S430 PolarHBondContact NZ-O 3.43Å; Q426-S430 PolarHBondContact NE2-OG 2.93Å; Q426-S430 WeakPolarHBondContact O-CA 3.25Å; Q426-S430 WeakPolarHBondContact O-CB 3.49Å; Q426-S430 PolarHBondContact O-N 3.28Å; S430-C432 PolarHBondContact OG-SG 3.09Å; S430-D451 VanDerWaalsContact CA-CG 3.5Å; S430-D451 WeakPolarHBondContact CA-O 3.42Å; S430-D451 WeakPolarHBondContact CA-OD1 3.45Å; S430-D451 WeakPolarHBondContact CA-OD2 3.48Å; S430-D451 WeakPolarHBondContact CB-OD2 3.27Å; S430-D451 PolarHBondContact N-O 3.13Å; S430-D451 VanDerWaalsContact N-O 3.14Å; S430-D451 PolarHBondContact OG-OD2 3.03Å
431	M	97.1	Very high	96.5	Very high	134 Å²	134	62.1 Å²	62.1	66%	0.66	34%	0.344	S	S	*	.			trans	-121.1	-3	171.7	-65.4	-62	140.1	0	0	112.6	K273 N429 A433 D451	K273-M431 VanDerWaalsContact CE-CE 3.43Å; N429-M431 PolarHBondContact O-N 3.14Å; M431-A433 VanDerWaalsContact C-N 3.27Å; M431-A433 PolarHBondContact O-N 3.4Å; M431-D451 PolarHBondContact N-OD1 2.9Å; M431-D451 PolarHBondContact N-OD2 3.3Å
432	C	94.5	Very high	96.4	Very high	93 Å²	93	67.7 Å²	67.7	63%	0.628	37%	0.37	S	S	*	.			trans	50.8	43.4	176.1	-59	0	0	0	0	113.3	S430 G434 D451	S430-C432 PolarHBondContact OG-SG 3.09Å; C432-G434 PolarHBondContact O-N 3.48Å; C432-G434 VanDerWaalsContact O-N 3.1Å; C432-D451 PolarHBondContact N-OD1 3.15Å; C432-D451 PolarHBondContact N-OD2 3.43Å; C432-D451 VanDerWaalsContact N-OD2 3.15Å
433	A	94.1	Very high	96.5	Very high	25 Å²	25	63 Å²	63	21%	0.207	35%	0.352	C	S	.	.			trans	-63.3	113.1	-177.5	0	0	0	0	0	111.5	M431 Y435 L436 F437	M431-A433 VanDerWaalsContact C-N 3.27Å; M431-A433 PolarHBondContact O-N 3.4Å; A433-Y435 HydrophobicContact CB-CD1 4.03Å; A433-Y435 HydrophobicContact CB-CE1 3.62Å; A433-Y435 PolarHBondContact O-N 2.88Å; A433-L436 PolarHBondContact O-N 3.14Å; A433-F437 HydrophobicContact CB-CD2 4.31Å; A433-F437 PolarHBondContact O-N 3.38Å
434	G	94.1	Very high	96.5	Very high	62 Å²	62	65 Å²	65	64%	0.639	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.6	-15.9	-171.8	0	0	0	0	0	115.8	C432 Q438	C432-G434 PolarHBondContact O-N 3.48Å; C432-G434 VanDerWaalsContact O-N 3.1Å; G434-Q438 PolarHBondContact O-NE2 3.28Å
435	Y	92.9	Very high	96.4	Very high	168 Å²	168	66.7 Å²	66.7	66%	0.659	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.5	-13.4	176	69.4	-97.7	0	0	0	113.6	A433 Q438	A433-Y435 HydrophobicContact CB-CD1 4.03Å; A433-Y435 HydrophobicContact CB-CE1 3.62Å; A433-Y435 PolarHBondContact O-N 2.88Å; Y435-Q438 PolarHBondContact O-NE2 2.88Å
436	L	94.8	Very high	96.3	Very high	19 Å²	19	72 Å²	72	10%	0.099	40%	0.396	C	S	.	.	T	Hydrogen-bonded Turn	trans	-126.6	-38.3	-171.9	-166.5	59	0	0	0	113.8	F215 T216 A433 Q438 K441	F215-L436 HydrophobicContact CB-CD2 4.25Å; F215-L436 HydrophobicContact CD1-CD1 4.38Å; F215-L436 HydrophobicContact CD1-CD2 4.31Å; F215-L436 HydrophobicContact CD2-CD1 3.73Å; F215-L436 HydrophobicContact CD2-CG 4.43Å; F215-L436 HydrophobicContact CE1-CD1 4.33Å; F215-L436 HydrophobicContact CE2-CD1 3.68Å; F215-L436 HydrophobicContact CG-CD1 4.13Å; F215-L436 HydrophobicContact CG-CD2 4.15Å; F215-L436 HydrophobicContact CZ-CD1 4Å; T216-L436 HydrophobicContact CG2-CD1 4.28Å; T216-L436 HydrophobicContact CG2-CG 4.45Å; A433-L436 PolarHBondContact O-N 3.14Å; L436-Q438 VanDerWaalsContact C-OE1 3.24Å; L436-Q438 PolarHBondContact O-OE1 3.42Å; L436-Q438 VanDerWaalsContact O-OE1 3.05Å; L436-K441 PolarHBondContact O-NZ 3.44Å; L436-K441 VanDerWaalsContact O-NZ 3.16Å
437	F	95.2	Very high	96.3	Very high	41 Å²	41	72.6 Å²	72.6	18%	0.18	40%	0.396	C	S	.	.			trans	-111.2	59.7	-175.2	-51.7	-61.8	0	0	0	110.6	A433 D448 G450 D451	A433-F437 HydrophobicContact CB-CD2 4.31Å; A433-F437 PolarHBondContact O-N 3.38Å; F437-D448 HydrophobicContact CD1-CB 4.45Å; F437-G450 VanDerWaalsContact CZ-C 3.47Å; F437-D451 HydrophobicContact CD1-CB 4.17Å; F437-D451 HydrophobicContact CD2-CB 3.75Å; F437-D451 HydrophobicContact CE1-CB 3.98Å; F437-D451 HydrophobicContact CE2-CB 3.53Å; F437-D451 WeakPolarHBondContact CE2-OD1 3.38Å; F437-D451 HydrophobicContact CG-CB 4.07Å; F437-D451 HydrophobicContact CZ-CB 3.66Å
438	Q	96.3	Very high	96.3	Very high	64 Å²	64	72.4 Å²	72.4	30%	0.299	39%	0.391	S	S	.	.			trans	-67	123.8	174.9	-60.5	85.2	-3	0	0	109.8	G434 Y435 L436 D440 K441 V445	G434-Q438 PolarHBondContact O-NE2 3.28Å; Y435-Q438 PolarHBondContact O-NE2 2.88Å; L436-Q438 VanDerWaalsContact C-OE1 3.24Å; L436-Q438 PolarHBondContact O-OE1 3.42Å; L436-Q438 VanDerWaalsContact O-OE1 3.05Å; Q438-D440 VanDerWaalsContact C-N 3.28Å; Q438-D440 PolarHBondContact O-N 2.93Å; Q438-K441 HydrophobicContact CB-CG 4.09Å; Q438-K441 WeakPolarHBondContact O-CG 3.49Å; Q438-V445 WeakPolarHBondContact O-CG1 3.21Å
439	P	94.4	Very high	96.3	Very high	112 Å²	112	72.8 Å²	72.8	73%	0.727	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.9	-14.1	-177.3	31.1	-35.4	0	0	0	113.7
440	D	95.9	Very high	96.3	Very high	139 Å²	139	72.4 Å²	72.4	74%	0.743	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.8	19	-173.4	60.2	-34.2	0	0	0	113.5	Q438	Q438-D440 VanDerWaalsContact C-N 3.28Å; Q438-D440 PolarHBondContact O-N 2.93Å
441	K	97	Very high	96.3	Very high	34 Å²	34	72.2 Å²	72.2	15%	0.148	39%	0.389	C	S	.	.			trans	-62.3	154.8	172.7	-64.8	-179.3	-173.8	178.1	0	111.3	E218 L436 Q438 Y443 V445 D448	E218-K441 IonicContact OE2-NZ 3.84Å; L436-K441 PolarHBondContact O-NZ 3.44Å; L436-K441 VanDerWaalsContact O-NZ 3.16Å; Q438-K441 HydrophobicContact CB-CG 4.09Å; Q438-K441 WeakPolarHBondContact O-CG 3.49Å; K441-Y443 HydrophobicContact CB-CD1 4.14Å; K441-Y443 HydrophobicContact CB-CE1 3.97Å; K441-Y443 HydrophobicContact CD-CE1 3.62Å; K441-Y443 HydrophobicContact CD-CE2 4.48Å; K441-Y443 VanDerWaalsContact CD-OH 3.3Å; K441-Y443 WeakPolarHBondContact CD-OH 3.47Å; K441-Y443 HydrophobicContact CG-CE1 4.37Å; K441-Y443 PolarHBondContact NZ-OH 2.65Å; K441-Y443 PolarHBondContact O-N 2.75Å; K441-V445 HydrophobicContact CB-CG1 3.8Å; K441-V445 HydrophobicContact CD-CG1 4.22Å; K441-V445 HydrophobicContact CG-CG1 4.23Å; K441-D448 IonicContact NZ-OD2 2.78Å; K441-D448 PolarHBondContact NZ-OD2 2.98Å
442	Q	96.8	Very high	96.3	Very high	198 Å²	198	67 Å²	67	93%	0.925	36%	0.363	S	S	*	.	S	Bend	trans	-68.2	-0	-179.4	64.3	-172.5	-22.8	0	0	115.6
443	Y	97.8	Very high	96.5	Very high	47 Å²	47	63 Å²	63	18%	0.184	34%	0.336	C	S	.	.	S	Bend	trans	-131.1	169.2	-179.4	66.5	-95.8	0	0	0	110.5	Y217 E218 K441 V445 D448	Y217-Y443 HydrophobicContact CD1-CD1 4.49Å; Y217-Y443 AromaticContact CD1-CD2 3.85Å; Y217-Y443 HydrophobicContact CD1-CD2 3.85Å; Y217-Y443 AromaticContact CD1-CE2 3.99Å; Y217-Y443 HydrophobicContact CD1-CE2 3.99Å; Y217-Y443 HydrophobicContact CD1-CG 4.14Å; Y217-Y443 HydrophobicContact CG-CD2 4.39Å; Y217-Y443 HydrophobicContact CG-CE2 4.25Å; E218-Y443 HydrophobicContact CB-CE1 3.91Å; E218-Y443 WeakPolarHBondContact CB-OH 3.49Å; E218-Y443 HydrophobicContact CG-CE1 4.29Å; E218-Y443 PolarHBondContact N-OH 3.01Å; K441-Y443 HydrophobicContact CB-CD1 4.14Å; K441-Y443 HydrophobicContact CB-CE1 3.97Å; K441-Y443 HydrophobicContact CD-CE1 3.62Å; K441-Y443 HydrophobicContact CD-CE2 4.48Å; K441-Y443 VanDerWaalsContact CD-OH 3.3Å; K441-Y443 WeakPolarHBondContact CD-OH 3.47Å; K441-Y443 HydrophobicContact CG-CE1 4.37Å; K441-Y443 PolarHBondContact NZ-OH 2.65Å; K441-Y443 PolarHBondContact O-N 2.75Å; Y443-V445 PolarHBondContact O-N 3.02Å; Y443-D448 WeakPolarHBondContact CE2-OD1 3.45Å; Y443-D448 PolarHBondContact OH-OD1 2.97Å; Y443-D448 PolarHBondContact OH-OD2 2.95Å
444	D	98.1	Very high	96.7	Very high	86 Å²	86	65.3 Å²	65.3	46%	0.46	35%	0.345	S	S	.	.			trans	-64.9	103.1	176.3	179.8	-0.6	0	0	0	111.2	T446 Y447	D444-T446 PolarHBondContact O-N 2.97Å; D444-T446 VanDerWaalsContact O-N 3.09Å; D444-T446 VanDerWaalsContact OD1-CB 3.27Å; D444-T446 WeakPolarHBondContact OD1-CB 3.27Å; D444-T446 VanDerWaalsContact OD1-CG2 3.23Å; D444-T446 WeakPolarHBondContact OD1-CG2 3.48Å; D444-T446 PolarHBondContact OD1-N 2.93Å; D444-T446 PolarHBondContact OD1-OG1 2.83Å; D444-T446 PolarHBondContact OD2-OG1 2.95Å; D444-T446 VanDerWaalsContact OD2-OG1 3.06Å; D444-Y447 HydrophobicContact CB-CD2 3.92Å; D444-Y447 HydrophobicContact CB-CE2 4.09Å; D444-Y447 WeakPolarHBondContact O-CD2 3.27Å; D444-Y447 PolarHBondContact O-N 3.2Å
445	V	97.2	Very high	96.9	Very high	47 Å²	47	64.7 Å²	64.7	29%	0.285	33%	0.325	S	S	.	.	G	3₁₀ helix	trans	-67	-8.4	-177.8	-62	0	0	0	0	113.6	Q438 K441 Y443 Y447 D448	Q438-V445 WeakPolarHBondContact O-CG1 3.21Å; K441-V445 HydrophobicContact CB-CG1 3.8Å; K441-V445 HydrophobicContact CD-CG1 4.22Å; K441-V445 HydrophobicContact CG-CG1 4.23Å; Y443-V445 PolarHBondContact O-N 3.02Å; V445-Y447 PolarHBondContact O-N 3.21Å; V445-Y447 VanDerWaalsContact O-N 3.16Å; V445-D448 WeakPolarHBondContact O-CB 3.33Å; V445-D448 PolarHBondContact O-N 3.23Å
446	T	96.7	Very high	97.1	Very high	111 Å²	111	60 Å²	60	68%	0.681	32%	0.317	S	S	*	.	G	3₁₀ helix	trans	-65.9	-14.3	172.9	69.3	0	0	0	0	113	D444 D448	D444-T446 PolarHBondContact O-N 2.97Å; D444-T446 VanDerWaalsContact O-N 3.09Å; D444-T446 VanDerWaalsContact OD1-CB 3.27Å; D444-T446 WeakPolarHBondContact OD1-CB 3.27Å; D444-T446 VanDerWaalsContact OD1-CG2 3.23Å; D444-T446 WeakPolarHBondContact OD1-CG2 3.48Å; D444-T446 PolarHBondContact OD1-N 2.93Å; D444-T446 PolarHBondContact OD1-OG1 2.83Å; D444-T446 PolarHBondContact OD2-OG1 2.95Å; D444-T446 VanDerWaalsContact OD2-OG1 3.06Å; T446-D448 VanDerWaalsContact C-N 3.35Å
447	Y	98.1	Very high	97.3	Very high	81 Å²	81	61.1 Å²	61.1	32%	0.318	33%	0.332	S	S	.	.	G	3₁₀ helix	trans	-80.3	-10.8	169.7	-70.2	-87.5	0	0	0	113.7	V224 L225 Q228 D444 V445 T449	V224-Y447 HydrophobicContact CG1-CD1 4.47Å; V224-Y447 VanDerWaalsContact CG1-O 3.31Å; V224-Y447 WeakPolarHBondContact CG1-O 3.46Å; L225-Y447 HydrophobicContact CD2-CD1 3.84Å; L225-Y447 HydrophobicContact CD2-CE1 3.52Å; Q228-Y447 VanDerWaalsContact OE1-CE1 3.3Å; D444-Y447 HydrophobicContact CB-CD2 3.92Å; D444-Y447 HydrophobicContact CB-CE2 4.09Å; D444-Y447 WeakPolarHBondContact O-CD2 3.27Å; D444-Y447 PolarHBondContact O-N 3.2Å; V445-Y447 PolarHBondContact O-N 3.21Å; V445-Y447 VanDerWaalsContact O-N 3.16Å; Y447-T449 PolarHBondContact O-N 3Å
448	D	98.3	Very high	97.4	Very high	14 Å²	14	59.5 Å²	59.5	8%	0.075	33%	0.325	C	S	.	.			trans	-78.5	103.5	173.3	-70.4	-8.4	0	0	0	109.9	T216 Y217 F437 K441 Y443 V445 T446	T216-D448 VanDerWaalsContact CA-OD1 3.26Å; T216-D448 WeakPolarHBondContact CA-OD1 3.34Å; T216-D448 WeakPolarHBondContact CB-OD1 3.32Å; T216-D448 HydrophobicContact CG2-CB 4.21Å; Y217-D448 PolarHBondContact N-OD1 3.03Å; F437-D448 HydrophobicContact CD1-CB 4.45Å; K441-D448 IonicContact NZ-OD2 2.78Å; K441-D448 PolarHBondContact NZ-OD2 2.98Å; Y443-D448 WeakPolarHBondContact CE2-OD1 3.45Å; Y443-D448 PolarHBondContact OH-OD1 2.97Å; Y443-D448 PolarHBondContact OH-OD2 2.95Å; V445-D448 WeakPolarHBondContact O-CB 3.33Å; V445-D448 PolarHBondContact O-N 3.23Å; T446-D448 VanDerWaalsContact C-N 3.35Å
449	T	98.1	Very high	97.5	Very high	21 Å²	21	60.7 Å²	60.7	13%	0.129	33%	0.33	C	S	.	.			trans	-96.2	2.3	-171.7	63.2	0	0	0	0	114.6	M214 F215 Y447 D451 K452 R458	M214-T449 PolarHBondContact O-OG1 3.48Å; F215-T449 PolarHBondContact O-N 3.02Å; Y447-T449 PolarHBondContact O-N 3Å; T449-D451 VanDerWaalsContact C-N 3.35Å; T449-D451 PolarHBondContact O-N 2.98Å; T449-K452 VanDerWaalsContact O-CG 3.23Å; T449-K452 WeakPolarHBondContact O-CG 3.44Å; T449-K452 PolarHBondContact O-N 3.13Å; T449-R458 PolarHBondContact OG1-NH2 3.14Å
450	G	97.5	Very high	97.8	Very high	5 Å²	5	55.5 Å²	55.5	5%	0.052	30%	0.296	C	S	.	.	G	3₁₀ helix	trans	-62.9	-39.4	-176.1	0	0	0	0	0	113.1	F215 F437 K452 A453	F215-G450 WeakPolarHBondContact O-CA 3.42Å; F215-G450 PolarHBondContact O-N 2.96Å; F437-G450 VanDerWaalsContact CZ-C 3.47Å; G450-K452 PolarHBondContact O-N 2.73Å; G450-A453 WeakPolarHBondContact O-CB 3.5Å; G450-A453 PolarHBondContact O-N 2.8Å
451	D	96.8	Very high	97.9	Very high	15 Å²	15	49.4 Å²	49.4	8%	0.08	26%	0.264	C	S	.	.	G	3₁₀ helix	trans	-79.8	-1.2	-171.7	-152.5	35.2	0	0	0	113.6	Q426 N429 S430 M431 C432 F437 T449	Q426-D451 PolarHBondContact NE2-OD2 3.06Å; N429-D451 CarbonylContact C-O 3.59Å; S430-D451 VanDerWaalsContact CA-CG 3.5Å; S430-D451 WeakPolarHBondContact CA-O 3.42Å; S430-D451 WeakPolarHBondContact CA-OD1 3.45Å; S430-D451 WeakPolarHBondContact CA-OD2 3.48Å; S430-D451 WeakPolarHBondContact CB-OD2 3.27Å; S430-D451 PolarHBondContact N-O 3.13Å; S430-D451 VanDerWaalsContact N-O 3.14Å; S430-D451 PolarHBondContact OG-OD2 3.03Å; M431-D451 PolarHBondContact N-OD1 2.9Å; M431-D451 PolarHBondContact N-OD2 3.3Å; C432-D451 PolarHBondContact N-OD1 3.15Å; C432-D451 PolarHBondContact N-OD2 3.43Å; C432-D451 VanDerWaalsContact N-OD2 3.15Å; F437-D451 HydrophobicContact CD1-CB 4.17Å; F437-D451 HydrophobicContact CD2-CB 3.75Å; F437-D451 HydrophobicContact CE1-CB 3.98Å; F437-D451 HydrophobicContact CE2-CB 3.53Å; F437-D451 WeakPolarHBondContact CE2-OD1 3.38Å; F437-D451 HydrophobicContact CG-CB 4.07Å; F437-D451 HydrophobicContact CZ-CB 3.66Å; T449-D451 VanDerWaalsContact C-N 3.35Å; T449-D451 PolarHBondContact O-N 2.98Å
452	K	98.2	Very high	98	Very high	25 Å²	25	47.8 Å²	47.8	11%	0.109	26%	0.257	C	S	.	.	G	3₁₀ helix	trans	-96.5	2.2	167.4	75.7	170.6	-175.1	-176.8	0	113.2	D246 G247 I248 L425 Q426 N429 T449 G450	D246-K452 IonicContact OD1-NZ 2.68Å; D246-K452 PolarHBondContact OD1-NZ 3.3Å; G247-K452 WeakPolarHBondContact O-CE 3.29Å; G247-K452 PolarHBondContact O-NZ 3.1Å; I248-K452 HydrophobicContact CD1-CG 3.99Å; L425-K452 HydrophobicContact CB-CB 3.92Å; L425-K452 HydrophobicContact CB-CD 4.26Å; L425-K452 HydrophobicContact CB-CG 4.45Å; L425-K452 HydrophobicContact CD1-CD 4.49Å; Q426-K452 HydrophobicContact CB-CB 4.25Å; N429-K452 PolarHBondContact ND2-O 2.88Å; T449-K452 VanDerWaalsContact O-CG 3.23Å; T449-K452 WeakPolarHBondContact O-CG 3.44Å; T449-K452 PolarHBondContact O-N 3.13Å; G450-K452 PolarHBondContact O-N 2.73Å
453	A	98.4	Very high	98.1	Very high	8 Å²	8	39.1 Å²	39.1	7%	0.066	22%	0.216	C	C	.	.	S	Bend	trans	-103.3	156.8	177.4	0	0	0	0	0	112.2	I248 Y259 G450 Q455	I248-A453 HydrophobicContact CD1-CB 3.7Å; Y259-A453 VanDerWaalsContact OH-CA 3.24Å; Y259-A453 WeakPolarHBondContact OH-CA 3.47Å; Y259-A453 WeakPolarHBondContact OH-CB 3.29Å; G450-A453 WeakPolarHBondContact O-CB 3.5Å; G450-A453 PolarHBondContact O-N 2.8Å; A453-Q455 VanDerWaalsContact C-N 3.28Å
454	I	98.3	Very high	98.1	Very high	74 Å²	74	37 Å²	37	38%	0.379	21%	0.208	S	C	.	.	S	Bend	trans	-78.4	-15.2	164.2	69.4	178.4	0	0	0	112.6	I255 Y259 M262	I255-I454 HydrophobicContact CG2-CD1 3.69Å; Y259-I454 HydrophobicContact CD1-CG2 4.25Å; Y259-I454 HydrophobicContact CE1-CB 4.34Å; Y259-I454 HydrophobicContact CE1-CG1 4.31Å; Y259-I454 HydrophobicContact CE1-CG2 3.65Å; Y259-I454 HydrophobicContact CE2-CD1 4.46Å; Y259-I454 HydrophobicContact CE2-CG1 4.28Å; Y259-I454 PolarHBondContact OH-N 2.82Å; M262-I454 HydrophobicContact CE-CG2 3.49Å; M262-I454 VanDerWaalsContact CE-CG2 3.49Å; M262-I454 HydrophobicContact SD-CG2 3.84Å
455	Q	98.4	Very high	98.2	Very high	49 Å²	49	32.9 Å²	32.9	23%	0.229	19%	0.186	C	C	.	.			trans	-92	143.3	178.1	-65.9	172.9	-82.1	0	0	109.9	A453	A453-Q455 VanDerWaalsContact C-N 3.28Å
456	C	97.4	Very high	98.3	Very high	71 Å²	71	34 Å²	34	48%	0.48	19%	0.185	S	C	.	.	S	Bend	trans	-80.7	-76.1	163.4	-178.6	0	0	0	0	109.5
457	G	97.9	Very high	98.4	Very high	41 Å²	41	30.9 Å²	30.9	42%	0.423	16%	0.164	S	C	.	.	S	Bend	trans	-73.1	128.8	172	0	0	0	0	0	111.3	N213	N213-G457 VanDerWaalsContact ND2-CA 3.28Å; N213-G457 WeakPolarHBondContact ND2-CA 3.3Å; N213-G457 WeakPolarHBondContact OD1-CA 3.48Å
458	R	98.6	Very high	98.4	Very high	8 Å²	8	27 Å²	27	3%	0.03	15%	0.149	C	C	.	.			trans	-134.7	127.2	-178.7	-174.1	168.9	68	93.6	-11.2	111.6	N213 M214 E227 T449	N213-R458 PolarHBondContact ND2-N 3.46Å; N213-R458 PolarHBondContact OD1-N 3.45Å; N213-R458 PolarHBondContact OD1-O 3.04Å; M214-R458 HydrophobicContact CB-CB 4.14Å; M214-R458 HydrophobicContact CB-CG 4.24Å; M214-R458 VanDerWaalsContact CB-CZ 3.43Å; M214-R458 PolarHBondContact N-O 3.34Å; E227-R458 IonicContact OE1-CZ 2.76Å; E227-R458 IonicContact OE1-NH1 3.43Å; E227-R458 PolarHBondContact OE1-NH1 3.1Å; E227-R458 IonicContact OE1-NH2 2.69Å; E227-R458 PolarHBondContact OE1-NH2 2.81Å; E227-R458 IonicContact OE2-CZ 3.37Å; E227-R458 IonicContact OE2-NH1 3.15Å; E227-R458 PolarHBondContact OE2-NH1 3.36Å; E227-R458 IonicContact OE2-NH2 3.2Å; T449-R458 PolarHBondContact OG1-NH2 3.14Å
459	H	98.8	Very high	98.4	Very high	88 Å²	88	27.7 Å²	27.7	41%	0.407	15%	0.15	S	C	.	.			trans	-64.1	151	177.8	-178.6	-104.2	0	0	0	112.2	M214 D461	M214-H459 WeakPolarHBondContact CG-O 3.4Å; H459-D461 IonicContact CE1-OD1 3.38Å; H459-D461 PolarHBondContact CE1-OD1 3.01Å; H459-D461 IonicContact CG-OD1 3.3Å; H459-D461 IonicContact ND1-OD1 2.63Å; H459-D461 PolarHBondContact ND1-OD1 3.44Å; H459-D461 PolarHBondContact O-N 3.48Å; H459-D461 VanDerWaalsContact O-N 3.13Å
460	V	98.9	Very high	98.5	Very high	3 Å²	3	33.5 Å²	33.5	2%	0.018	17%	0.174	C	C	.	.			trans	-83.1	79.8	176.9	-176.1	0	0	0	0	110.1	T207 T212 M214 F223 I462 F463	T207-V460 HydrophobicContact CG2-CB 3.85Å; T207-V460 HydrophobicContact CG2-CG1 4.41Å; T207-V460 WeakPolarHBondContact CG2-O 3.37Å; T212-V460 HydrophobicContact CG2-CG2 3.99Å; M214-V460 HydrophobicContact CG-CB 4.27Å; M214-V460 HydrophobicContact CG-CG2 3.82Å; M214-V460 HydrophobicContact SD-CB 4.28Å; M214-V460 HydrophobicContact SD-CG1 4.11Å; M214-V460 HydrophobicContact SD-CG2 3.84Å; F223-V460 HydrophobicContact CB-CG1 3.8Å; F223-V460 HydrophobicContact CD1-CG1 3.6Å; F223-V460 HydrophobicContact CD2-CG1 3.86Å; F223-V460 HydrophobicContact CD2-CG2 3.98Å; F223-V460 HydrophobicContact CE1-CG1 4.09Å; F223-V460 HydrophobicContact CE2-CG1 4.32Å; F223-V460 HydrophobicContact CE2-CG2 4.43Å; F223-V460 HydrophobicContact CG-CG1 3.47Å; F223-V460 VanDerWaalsContact CG-CG1 3.47Å; F223-V460 HydrophobicContact CG-CG2 4.36Å; F223-V460 HydrophobicContact CZ-CG1 4.42Å; V460-I462 VanDerWaalsContact C-N 3.28Å; V460-I462 HydrophobicContact CG1-CG2 3.89Å; V460-I462 PolarHBondContact O-N 2.68Å; V460-F463 HydrophobicContact CG1-CB 4.24Å
461	D	98.8	Very high	98.5	Very high	11 Å²	11	36.5 Å²	36.5	6%	0.059	20%	0.198	C	C	.	.			trans	-77.6	-16.4	176.1	-74.6	-26.6	0	0	0	113.5	F249 H459 K464	F249-D461 HydrophobicContact CD1-CB 4.49Å; H459-D461 IonicContact CE1-OD1 3.38Å; H459-D461 PolarHBondContact CE1-OD1 3.01Å; H459-D461 IonicContact CG-OD1 3.3Å; H459-D461 IonicContact ND1-OD1 2.63Å; H459-D461 PolarHBondContact ND1-OD1 3.44Å; H459-D461 PolarHBondContact O-N 3.48Å; H459-D461 VanDerWaalsContact O-N 3.13Å; D461-K464 WeakPolarHBondContact O-CG 3.33Å; D461-K464 IonicContact OD1-NZ 3.58Å; D461-K464 PolarHBondContact OD1-NZ 3.03Å
462	I	98.9	Very high	98.6	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-70.7	-37.8	-171.4	-178.3	62.3	0	0	0	113.4	M214 F223 M226 E227 T230 F249 V460 K464 F465 W466	M214-I462 HydrophobicContact CE-CG2 4.07Å; M214-I462 HydrophobicContact SD-CG2 4.38Å; F223-I462 HydrophobicContact CB-CG2 4.06Å; M226-I462 HydrophobicContact CB-CG1 3.87Å; E227-I462 HydrophobicContact CB-CB 4.16Å; E227-I462 HydrophobicContact CB-CD1 4.45Å; E227-I462 HydrophobicContact CB-CG1 4Å; E227-I462 HydrophobicContact CB-CG2 4.28Å; T230-I462 HydrophobicContact CG2-CD1 3.8Å; F249-I462 HydrophobicContact CE2-CD1 3.68Å; F249-I462 HydrophobicContact CZ-CD1 3.86Å; V460-I462 VanDerWaalsContact C-N 3.28Å; V460-I462 HydrophobicContact CG1-CG2 3.89Å; V460-I462 PolarHBondContact O-N 2.68Å; I462-K464 PolarHBondContact O-N 3.05Å; I462-F465 PolarHBondContact O-N 3.4Å; I462-W466 HydrophobicContact CD1-CB 4.46Å; I462-W466 HydrophobicContact CG1-CB 4.41Å; I462-W466 WeakPolarHBondContact O-CB 3.44Å; I462-W466 PolarHBondContact O-N 3.3Å
463	F	98.9	Very high	98.7	Very high	17 Å²	17	38.9 Å²	38.9	8%	0.075	22%	0.216	C	C	.	.	H	α-helix	trans	-64.1	-47	-166.4	-178.1	-103.7	0	0	0	112.4	G203 L206 F223 M226 V460 F465 W466 L467	G203-F463 WeakPolarHBondContact O-CD1 3.44Å; L206-F463 HydrophobicContact CB-CD1 4.29Å; L206-F463 HydrophobicContact CB-CE1 3.73Å; L206-F463 HydrophobicContact CD1-CE1 3.7Å; L206-F463 HydrophobicContact CD1-CZ 3.65Å; L206-F463 HydrophobicContact CD2-CD1 3.85Å; L206-F463 HydrophobicContact CD2-CE1 3.51Å; L206-F463 HydrophobicContact CD2-CE2 4.32Å; L206-F463 HydrophobicContact CD2-CG 4.4Å; L206-F463 HydrophobicContact CD2-CZ 3.77Å; L206-F463 HydrophobicContact CG-CD1 4.5Å; L206-F463 HydrophobicContact CG-CE1 3.82Å; L206-F463 HydrophobicContact CG-CZ 4.18Å; F223-F463 HydrophobicContact CD1-CB 4.02Å; F223-F463 HydrophobicContact CD1-CD2 4.22Å; F223-F463 HydrophobicContact CD1-CG 4.43Å; F223-F463 HydrophobicContact CE1-CB 3.86Å; F223-F463 AromaticContact CE1-CD2 3.77Å; F223-F463 HydrophobicContact CE1-CD2 3.77Å; F223-F463 AromaticContact CE1-CG 3.91Å; F223-F463 HydrophobicContact CE1-CG 3.91Å; M226-F463 HydrophobicContact CE-CD2 4.09Å; M226-F463 HydrophobicContact CE-CE2 4.08Å; M226-F463 HydrophobicContact SD-CD2 3.73Å; M226-F463 HydrophobicContact SD-CE2 4.32Å; V460-F463 HydrophobicContact CG1-CB 4.24Å; F463-F465 VanDerWaalsContact C-N 3.31Å; F463-F465 PolarHBondContact O-N 2.95Å; F463-W466 HydrophobicContact CD2-CE3 4.41Å; F463-W466 HydrophobicContact CE2-CE3 4.22Å; F463-W466 HydrophobicContact CE2-CZ3 4.23Å; F463-W466 PolarHBondContact O-N 2.92Å; F463-L467 HydrophobicContact CE1-CD2 3.95Å; F463-L467 HydrophobicContact CZ-CD1 4.43Å; F463-L467 HydrophobicContact CZ-CD2 4.17Å; F463-L467 VanDerWaalsContact O-CB 3.22Å; F463-L467 WeakPolarHBondContact O-CB 3.49Å; F463-L467 PolarHBondContact O-N 3.43Å
464	K	98.9	Very high	98.7	Very high	1 Å²	1	41.1 Å²	41.1	0%	0.004	23%	0.228	C	C	.	.	H	α-helix	trans	-57.6	-42.2	175.5	60.9	-165.7	176	-159.2	0	112.6	E204 V410 P411 Q413 D461 I462 M468	E204-K464 VanDerWaalsContact CD-NZ 3.26Å; E204-K464 HydrophobicContact CG-CB 4.47Å; E204-K464 HydrophobicContact CG-CD 3.74Å; E204-K464 WeakPolarHBondContact OE1-CD 3.43Å; E204-K464 WeakPolarHBondContact OE1-CE 3.37Å; E204-K464 IonicContact OE1-NZ 3.29Å; E204-K464 PolarHBondContact OE1-NZ 3.04Å; E204-K464 IonicContact OE2-NZ 3.2Å; E204-K464 PolarHBondContact OE2-NZ 3.01Å; V410-K464 HydrophobicContact CG1-CD 4.21Å; V410-K464 HydrophobicContact CG1-CG 3.82Å; P411-K464 HydrophobicContact CB-CD 4.39Å; P411-K464 WeakPolarHBondContact O-CE 2.93Å; Q413-K464 WeakPolarHBondContact O-CE 3.34Å; Q413-K464 PolarHBondContact O-NZ 3.19Å; D461-K464 WeakPolarHBondContact O-CG 3.33Å; D461-K464 IonicContact OD1-NZ 3.58Å; D461-K464 PolarHBondContact OD1-NZ 3.03Å; I462-K464 PolarHBondContact O-N 3.05Å; K464-M468 WeakPolarHBondContact O-CB 3.47Å; K464-M468 WeakPolarHBondContact O-CG 3.41Å; K464-M468 PolarHBondContact O-N 2.96Å
465	F	98.9	Very high	98.7	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-69.9	-48.3	178.6	177.4	-146.7	0	0	0	111.9	T230 M234 F249 P404 M408 V410 I462 F463 L467 M468 W469 F477	T230-F465 HydrophobicContact CG2-CD1 3.75Å; T230-F465 HydrophobicContact CG2-CE1 3.49Å; T230-F465 VanDerWaalsContact CG2-CE1 3.49Å; T230-F465 HydrophobicContact CG2-CZ 4.35Å; M234-F465 HydrophobicContact SD-CE1 3.85Å; F249-F465 HydrophobicContact CE1-CD1 4.21Å; F249-F465 AromaticContact CZ-CD1 3.9Å; F249-F465 HydrophobicContact CZ-CD1 3.9Å; F249-F465 HydrophobicContact CZ-CE1 4.31Å; P404-F465 HydrophobicContact CB-CD1 4.32Å; P404-F465 HydrophobicContact CB-CD2 4.03Å; P404-F465 HydrophobicContact CB-CE1 4.25Å; P404-F465 HydrophobicContact CB-CE2 3.99Å; P404-F465 HydrophobicContact CB-CG 4.21Å; P404-F465 HydrophobicContact CB-CZ 4.08Å; P404-F465 HydrophobicContact CG-CD1 3.99Å; P404-F465 HydrophobicContact CG-CD2 4.47Å; P404-F465 HydrophobicContact CG-CE1 3.66Å; P404-F465 HydrophobicContact CG-CE2 4.21Å; P404-F465 HydrophobicContact CG-CG 4.38Å; P404-F465 HydrophobicContact CG-CZ 3.77Å; M408-F465 HydrophobicContact CE-CE2 3.48Å; M408-F465 VanDerWaalsContact CE-CE2 3.48Å; M408-F465 HydrophobicContact CE-CZ 3.76Å; M408-F465 HydrophobicContact SD-CE2 4.4Å; M408-F465 HydrophobicContact SD-CZ 4.45Å; V410-F465 HydrophobicContact CG1-CB 4.1Å; V410-F465 HydrophobicContact CG2-CB 4.24Å; V410-F465 HydrophobicContact CG2-CD2 3.64Å; V410-F465 HydrophobicContact CG2-CE2 4.39Å; V410-F465 HydrophobicContact CG2-CG 4.2Å; I462-F465 PolarHBondContact O-N 3.4Å; F463-F465 VanDerWaalsContact C-N 3.31Å; F463-F465 PolarHBondContact O-N 2.95Å; F465-L467 VanDerWaalsContact C-N 3.3Å; F465-L467 PolarHBondContact O-N 3.35Å; F465-M468 PolarHBondContact O-N 3.43Å; F465-W469 HydrophobicContact CD2-CE3 4.45Å; F465-W469 AromaticContact CE1-CE3 3.93Å; F465-W469 HydrophobicContact CE1-CE3 3.93Å; F465-W469 AromaticContact CE1-CZ3 3.82Å; F465-W469 HydrophobicContact CE1-CZ3 3.82Å; F465-W469 HydrophobicContact CE2-CD2 4.38Å; F465-W469 AromaticContact CE2-CE3 3.59Å; F465-W469 HydrophobicContact CE2-CE3 3.59Å; F465-W469 HydrophobicContact CE2-CZ3 4.04Å; F465-W469 HydrophobicContact CZ-CD2 4.4Å; F465-W469 AromaticContact CZ-CE3 3.3Å; F465-W469 HydrophobicContact CZ-CE3 3.3Å; F465-W469 HydrophobicContact CZ-CH2 4.36Å; F465-W469 AromaticContact CZ-CZ3 3.28Å; F465-W469 HydrophobicContact CZ-CZ3 3.28Å; F465-W469 PolarHBondContact O-N 3.47Å; F465-F477 HydrophobicContact CD2-CZ 4.38Å; F465-F477 HydrophobicContact CE2-CE2 4.19Å; F465-F477 HydrophobicContact CE2-CZ 4.09Å
466	W	98.9	Very high	98.7	Very high	70 Å²	70	39.7 Å²	39.7	27%	0.265	23%	0.23	S	C	.	.	H	α-helix	trans	-56.8	-45.7	176.8	175.8	91.8	0	0	0	111	M226 I462 F463 W469 K470	M226-W466 HydrophobicContact CB-CG 4.33Å; M226-W466 HydrophobicContact CE-CD2 3.85Å; M226-W466 HydrophobicContact CE-CE3 3.68Å; M226-W466 HydrophobicContact CE-CH2 3.74Å; M226-W466 HydrophobicContact CE-CZ2 3.88Å; M226-W466 HydrophobicContact CE-CZ3 3.64Å; M226-W466 HydrophobicContact CG-CD2 4.18Å; M226-W466 HydrophobicContact CG-CG 4.12Å; M226-W466 HydrophobicContact SD-CD2 3.89Å; M226-W466 HydrophobicContact SD-CE3 4Å; M226-W466 HydrophobicContact SD-CG 4.13Å; I462-W466 HydrophobicContact CD1-CB 4.46Å; I462-W466 HydrophobicContact CG1-CB 4.41Å; I462-W466 WeakPolarHBondContact O-CB 3.44Å; I462-W466 PolarHBondContact O-N 3.3Å; F463-W466 HydrophobicContact CD2-CE3 4.41Å; F463-W466 HydrophobicContact CE2-CE3 4.22Å; F463-W466 HydrophobicContact CE2-CZ3 4.23Å; F463-W466 PolarHBondContact O-N 2.92Å; W466-W469 WeakPolarHBondContact O-CB 3.47Å; W466-W469 PolarHBondContact O-N 3.28Å; W466-W469 VanDerWaalsContact O-N 3.17Å; W466-K470 HydrophobicContact CD2-CG 3.89Å; W466-K470 HydrophobicContact CE3-CG 4.06Å; W466-K470 HydrophobicContact CH2-CD 4.37Å; W466-K470 HydrophobicContact CH2-CG 3.77Å; W466-K470 HydrophobicContact CZ2-CD 3.82Å; W466-K470 HydrophobicContact CZ2-CG 3.59Å; W466-K470 HydrophobicContact CZ3-CG 3.99Å; W466-K470 WeakPolarHBondContact O-CG 3.32Å; W466-K470 PolarHBondContact O-N 2.76Å
467	L	98.9	Very high	98.8	Very high	47 Å²	47	36.3 Å²	36.3	25%	0.246	21%	0.207	C	C	.	.	H	α-helix	trans	-65.2	-43.6	-179.1	-171.1	67.1	0	0	0	111.7	V199 F463 F465 W469 K470 A471	V199-L467 HydrophobicContact CG1-CB 4.23Å; V199-L467 HydrophobicContact CG1-CD2 3.92Å; V199-L467 HydrophobicContact CG1-CG 3.6Å; F463-L467 HydrophobicContact CE1-CD2 3.95Å; F463-L467 HydrophobicContact CZ-CD1 4.43Å; F463-L467 HydrophobicContact CZ-CD2 4.17Å; F463-L467 VanDerWaalsContact O-CB 3.22Å; F463-L467 WeakPolarHBondContact O-CB 3.49Å; F463-L467 PolarHBondContact O-N 3.43Å; F465-L467 VanDerWaalsContact C-N 3.3Å; F465-L467 PolarHBondContact O-N 3.35Å; L467-W469 VanDerWaalsContact C-N 3.29Å; L467-W469 PolarHBondContact O-N 2.92Å; L467-K470 PolarHBondContact O-N 3.45Å; L467-A471 WeakPolarHBondContact O-CB 3.44Å; L467-A471 PolarHBondContact O-N 2.89Å
468	M	98.9	Very high	98.8	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-58.3	-42.5	172.3	-74.4	171.7	62.9	0	0	111.7	D197 V199 G200 M408 V410 K464 F465 A471 K472 F477	D197-M468 HydrophobicContact CB-CE 3.82Å; D197-M468 HydrophobicContact CB-SD 4.22Å; V199-M468 HydrophobicContact CB-CG 4.12Å; V199-M468 HydrophobicContact CG1-CG 4.14Å; G200-M468 WeakPolarHBondContact CA-SD 3.48Å; M408-M468 WeakPolarHBondContact O-CE 3.39Å; V410-M468 HydrophobicContact CB-CE 4.36Å; V410-M468 HydrophobicContact CB-SD 4.07Å; V410-M468 HydrophobicContact CG1-SD 4.11Å; V410-M468 HydrophobicContact CG2-CE 3.8Å; V410-M468 HydrophobicContact CG2-SD 3.8Å; K464-M468 WeakPolarHBondContact O-CB 3.47Å; K464-M468 WeakPolarHBondContact O-CG 3.41Å; K464-M468 PolarHBondContact O-N 2.96Å; F465-M468 PolarHBondContact O-N 3.43Å; M468-A471 PolarHBondContact O-N 3.45Å; M468-K472 WeakPolarHBondContact O-CB 3.39Å; M468-K472 WeakPolarHBondContact O-CG 3.4Å; M468-K472 PolarHBondContact O-N 3.02Å; M468-F477 HydrophobicContact CB-CZ 4.06Å; M468-F477 HydrophobicContact CE-CE1 4.13Å; M468-F477 HydrophobicContact CE-CZ 4.4Å
469	W	98.8	Very high	98.8	Very high	28 Å²	28	41.2 Å²	41.2	11%	0.106	22%	0.219	C	C	.	.	H	α-helix	trans	-66.3	-39.4	177.8	-152.9	-25.1	0	0	0	111.9	T230 K233 M234 I237 M383 F465 W466 L467 A471 G473 T474 F477	T230-W469 HydrophobicContact CG2-CE3 4.02Å; T230-W469 HydrophobicContact CG2-CZ3 3.88Å; K233-W469 HydrophobicContact CB-CH2 4.27Å; K233-W469 HydrophobicContact CG-CH2 3.75Å; K233-W469 HydrophobicContact CG-CZ2 3.79Å; K233-W469 HydrophobicContact CG-CZ3 4.49Å; M234-W469 HydrophobicContact CG-CH2 4.35Å; M234-W469 HydrophobicContact CG-CZ3 4.14Å; I237-W469 HydrophobicContact CD1-CH2 3.59Å; I237-W469 HydrophobicContact CD1-CZ2 3.57Å; M383-W469 HydrophobicContact CE-CH2 4.34Å; M383-W469 HydrophobicContact CE-CZ2 3.65Å; M383-W469 HydrophobicContact SD-CH2 4.41Å; M383-W469 HydrophobicContact SD-CZ2 4.15Å; F465-W469 HydrophobicContact CD2-CE3 4.45Å; F465-W469 AromaticContact CE1-CE3 3.93Å; F465-W469 HydrophobicContact CE1-CE3 3.93Å; F465-W469 AromaticContact CE1-CZ3 3.82Å; F465-W469 HydrophobicContact CE1-CZ3 3.82Å; F465-W469 HydrophobicContact CE2-CD2 4.38Å; F465-W469 AromaticContact CE2-CE3 3.59Å; F465-W469 HydrophobicContact CE2-CE3 3.59Å; F465-W469 HydrophobicContact CE2-CZ3 4.04Å; F465-W469 HydrophobicContact CZ-CD2 4.4Å; F465-W469 AromaticContact CZ-CE3 3.3Å; F465-W469 HydrophobicContact CZ-CE3 3.3Å; F465-W469 HydrophobicContact CZ-CH2 4.36Å; F465-W469 AromaticContact CZ-CZ3 3.28Å; F465-W469 HydrophobicContact CZ-CZ3 3.28Å; F465-W469 PolarHBondContact O-N 3.47Å; W466-W469 WeakPolarHBondContact O-CB 3.47Å; W466-W469 PolarHBondContact O-N 3.28Å; W466-W469 VanDerWaalsContact O-N 3.17Å; L467-W469 VanDerWaalsContact C-N 3.29Å; L467-W469 PolarHBondContact O-N 2.92Å; W469-A471 VanDerWaalsContact C-N 3.33Å; W469-A471 PolarHBondContact O-N 3.46Å; W469-G473 WeakPolarHBondContact O-CA 3.13Å; W469-G473 PolarHBondContact O-N 3.26Å; W469-T474 PolarHBondContact NE1-OG1 3.37Å; W469-T474 VanDerWaalsContact NE1-OG1 3.09Å; W469-F477 HydrophobicContact CB-CE2 3.82Å; W469-F477 AromaticContact CD1-CE2 3.96Å; W469-F477 HydrophobicContact CD2-CE2 4.14Å; W469-F477 HydrophobicContact CG-CD2 4.29Å; W469-F477 AromaticContact CG-CE2 3.71Å; W469-F477 HydrophobicContact CG-CE2 3.71Å
470	K	98.8	Very high	98.8	Very high	143 Å²	143	37.6 Å²	37.6	62%	0.622	20%	0.203	S	C	*	.	H	α-helix	trans	-61.7	-40.7	172.9	-68.9	-62.5	-60.9	-177.2	0	112.1	W466 L467	W466-K470 HydrophobicContact CD2-CG 3.89Å; W466-K470 HydrophobicContact CE3-CG 4.06Å; W466-K470 HydrophobicContact CH2-CD 4.37Å; W466-K470 HydrophobicContact CH2-CG 3.77Å; W466-K470 HydrophobicContact CZ2-CD 3.82Å; W466-K470 HydrophobicContact CZ2-CG 3.59Å; W466-K470 HydrophobicContact CZ3-CG 3.99Å; W466-K470 WeakPolarHBondContact O-CG 3.32Å; W466-K470 PolarHBondContact O-N 2.76Å; L467-K470 PolarHBondContact O-N 3.45Å
471	A	98.8	Very high	98.8	Very high	67 Å²	67	37.5 Å²	37.5	55%	0.554	20%	0.202	S	C	*	.	H	α-helix	trans	-75.1	-38.3	-178.1	0	0	0	0	0	113.6	V199 L467 M468 W469	V199-A471 HydrophobicContact CB-CB 4.39Å; V199-A471 HydrophobicContact CG1-CB 3.9Å; V199-A471 HydrophobicContact CG2-CB 3.88Å; L467-A471 WeakPolarHBondContact O-CB 3.44Å; L467-A471 PolarHBondContact O-N 2.89Å; M468-A471 PolarHBondContact O-N 3.45Å; W469-A471 VanDerWaalsContact C-N 3.33Å; W469-A471 PolarHBondContact O-N 3.46Å
472	K	98.8	Very high	98.8	Very high	62 Å²	62	38.3 Å²	38.3	27%	0.27	21%	0.206	S	C	.	.	H	α-helix	trans	-92.7	-28.3	-176.4	-65.3	174	-173.2	-76.4	0	113.2	D197 M468 G476 F477	D197-K472 WeakPolarHBondContact OD2-CE 3.46Å; D197-K472 IonicContact OD2-NZ 2.76Å; D197-K472 PolarHBondContact OD2-NZ 3.13Å; M468-K472 WeakPolarHBondContact O-CB 3.39Å; M468-K472 WeakPolarHBondContact O-CG 3.4Å; M468-K472 PolarHBondContact O-N 3.02Å; K472-G476 VanDerWaalsContact O-CA 3.3Å; K472-G476 WeakPolarHBondContact O-CA 3.29Å; K472-G476 PolarHBondContact O-N 3.49Å; K472-F477 HydrophobicContact CD-CD1 3.98Å; K472-F477 HydrophobicContact CD-CE1 3.71Å; K472-F477 HydrophobicContact CD-CZ 4.06Å
473	G	98.8	Very high	98.8	Very high	29 Å²	29	42.2 Å²	42.2	30%	0.299	22%	0.223	S	C	.	.	H	α-helix	trans	61.7	176.7	-159.9	0	0	0	0	0	112.5	W469 V475 G476 F477	W469-G473 WeakPolarHBondContact O-CA 3.13Å; W469-G473 PolarHBondContact O-N 3.26Å; G473-V475 PolarHBondContact O-N 3.01Å; G473-G476 PolarHBondContact O-N 3.28Å; G473-F477 PolarHBondContact O-N 3.48Å
474	T	98.8	Very high	98.8	Very high	54 Å²	54	41.4 Å²	41.4	33%	0.331	22%	0.22	S	C	.	.	H	α-helix	trans	-62.3	-35	172.6	-57.5	0	0	0	0	111.5	M383 W469 F477 E478	M383-T474 HydrophobicContact CE-CG2 3.79Å; W469-T474 PolarHBondContact NE1-OG1 3.37Å; W469-T474 VanDerWaalsContact NE1-OG1 3.09Å; T474-F477 PolarHBondContact O-N 3.01Å; T474-E478 PolarHBondContact O-N 3.12Å
475	V	98.8	Very high	98.8	Very high	76 Å²	76	41.9 Å²	41.9	46%	0.461	22%	0.222	S	C	.	.	H	α-helix	trans	-64.6	-40.3	179.4	177.7	0	0	0	0	111.9	G473 F477 E478 Q479	G473-V475 PolarHBondContact O-N 3.01Å; V475-F477 VanDerWaalsContact C-N 3.34Å; V475-F477 PolarHBondContact O-N 2.96Å; V475-E478 WeakPolarHBondContact O-CB 3.42Å; V475-E478 PolarHBondContact O-N 2.85Å; V475-Q479 HydrophobicContact CG1-CG 4.48Å; V475-Q479 WeakPolarHBondContact O-CG 3.36Å; V475-Q479 PolarHBondContact O-N 3.32Å
476	G	98.9	Very high	98.8	Very high	17 Å²	17	45.3 Å²	45.3	18%	0.175	24%	0.24	C	C	.	.	H	α-helix	trans	-67.1	-35.1	177.5	0	0	0	0	0	112.7	K472 G473 H480	K472-G476 VanDerWaalsContact O-CA 3.3Å; K472-G476 WeakPolarHBondContact O-CA 3.29Å; K472-G476 PolarHBondContact O-N 3.49Å; G473-G476 PolarHBondContact O-N 3.28Å; G476-H480 WeakPolarHBondContact O-CB 3.43Å; G476-H480 PolarHBondContact O-N 3.17Å; G476-H480 VanDerWaalsContact O-N 3.14Å
477	F	98.9	Very high	98.8	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-66.6	-44.4	170.5	-76.3	-56.8	0	0	0	112	M383 M408 F465 M468 W469 K472 G473 T474 V475 Q479 H480 I481	M383-F477 HydrophobicContact CB-CB 4.33Å; M383-F477 HydrophobicContact CE-CB 3.68Å; M383-F477 HydrophobicContact CE-CD2 3.56Å; M383-F477 HydrophobicContact CE-CE2 4.5Å; M383-F477 HydrophobicContact CE-CG 3.96Å; M383-F477 HydrophobicContact CG-CB 4.43Å; M408-F477 HydrophobicContact CB-CD1 4.01Å; M408-F477 HydrophobicContact CB-CE1 3.88Å; M408-F477 HydrophobicContact CE-CD1 4.09Å; M408-F477 HydrophobicContact CE-CD2 3.97Å; M408-F477 HydrophobicContact CE-CE1 4.11Å; M408-F477 HydrophobicContact CE-CE2 3.94Å; M408-F477 HydrophobicContact CE-CG 4.03Å; M408-F477 HydrophobicContact CE-CZ 4.03Å; M408-F477 WeakPolarHBondContact O-CE1 3.18Å; F465-F477 HydrophobicContact CD2-CZ 4.38Å; F465-F477 HydrophobicContact CE2-CE2 4.19Å; F465-F477 HydrophobicContact CE2-CZ 4.09Å; M468-F477 HydrophobicContact CB-CZ 4.06Å; M468-F477 HydrophobicContact CE-CE1 4.13Å; M468-F477 HydrophobicContact CE-CZ 4.4Å; W469-F477 HydrophobicContact CB-CE2 3.82Å; W469-F477 AromaticContact CD1-CE2 3.96Å; W469-F477 HydrophobicContact CD2-CE2 4.14Å; W469-F477 HydrophobicContact CG-CD2 4.29Å; W469-F477 AromaticContact CG-CE2 3.71Å; W469-F477 HydrophobicContact CG-CE2 3.71Å; K472-F477 HydrophobicContact CD-CD1 3.98Å; K472-F477 HydrophobicContact CD-CE1 3.71Å; K472-F477 HydrophobicContact CD-CZ 4.06Å; G473-F477 PolarHBondContact O-N 3.48Å; T474-F477 PolarHBondContact O-N 3.01Å; V475-F477 VanDerWaalsContact C-N 3.34Å; V475-F477 PolarHBondContact O-N 2.96Å; F477-Q479 PolarHBondContact O-N 3.33Å; F477-H480 PolarHBondContact O-N 3.24Å; F477-I481 VanDerWaalsContact O-CD1 3.31Å; F477-I481 WeakPolarHBondContact O-CD1 3.46Å; F477-I481 WeakPolarHBondContact O-CG1 3.28Å; F477-I481 PolarHBondContact O-N 3.18Å
478	E	98.9	Very high	98.8	Very high	22 Å²	22	40.3 Å²	40.3	10%	0.103	22%	0.22	C	C	.	.	H	α-helix	trans	-52.7	-51.3	174.9	172.4	164.4	-129.2	0	0	111.5	M383 R385 T474 V475 H480 I481 D482	M383-E478 WeakPolarHBondContact O-CB 3.44Å; R385-E478 VanDerWaalsContact CB-OE1 3.22Å; R385-E478 WeakPolarHBondContact CB-OE1 3.21Å; R385-E478 WeakPolarHBondContact CD-OE1 3.25Å; R385-E478 WeakPolarHBondContact CG-OE1 3.45Å; R385-E478 PolarHBondContact N-OE1 3.41Å; R385-E478 IonicContact NE-OE2 2.68Å; T474-E478 PolarHBondContact O-N 3.12Å; V475-E478 WeakPolarHBondContact O-CB 3.42Å; V475-E478 PolarHBondContact O-N 2.85Å; E478-H480 PolarHBondContact O-N 3.3Å; E478-I481 PolarHBondContact O-N 3.43Å; E478-D482 WeakPolarHBondContact O-CB 3.45Å; E478-D482 PolarHBondContact O-N 2.65Å
479	Q	98.8	Very high	98.8	Very high	130 Å²	130	42.7 Å²	42.7	61%	0.607	24%	0.239	S	C	*	.	H	α-helix	trans	-61.7	-41	178.7	-71.1	172.4	-5.8	0	0	113.2	V475 F477 K483	V475-Q479 HydrophobicContact CG1-CG 4.48Å; V475-Q479 WeakPolarHBondContact O-CG 3.36Å; V475-Q479 PolarHBondContact O-N 3.32Å; F477-Q479 PolarHBondContact O-N 3.33Å; Q479-K483 WeakPolarHBondContact O-CB 3.2Å; Q479-K483 PolarHBondContact O-N 3.19Å
480	H	98.6	Very high	98.7	Very high	13 Å²	13	44.2 Å²	44.2	6%	0.06	25%	0.245	C	C	.	.	H	α-helix	trans	-59.8	-52.1	175.2	174.2	-179.4	0	0	0	110.2	G476 F477 E478 D482 K483 C484 S572	G476-H480 WeakPolarHBondContact O-CB 3.43Å; G476-H480 PolarHBondContact O-N 3.17Å; G476-H480 VanDerWaalsContact O-N 3.14Å; F477-H480 PolarHBondContact O-N 3.24Å; E478-H480 PolarHBondContact O-N 3.3Å; H480-D482 VanDerWaalsContact C-N 3.35Å; H480-D482 PolarHBondContact O-N 2.74Å; H480-K483 PolarHBondContact O-N 3.07Å; H480-C484 PolarHBondContact O-N 3Å; H480-C484 VanDerWaalsContact O-N 3.12Å; H480-C484 PolarHBondContact O-SG 3.49Å; H480-S572 PolarHBondContact NE2-O 3.33Å
481	I	98.8	Very high	98.7	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-61.8	-45.2	-178.3	-69.1	155.2	0	0	0	111.3	G380 L381 M383 M407 F477 E478 K483 C484 L485	G380-I481 WeakPolarHBondContact O-CD1 3.46Å; L381-I481 HydrophobicContact CD1-CG2 4.01Å; L381-I481 HydrophobicContact CG-CG2 4.19Å; M383-I481 HydrophobicContact CB-CD1 3.57Å; M383-I481 HydrophobicContact CG-CD1 4.07Å; M407-I481 HydrophobicContact CE-CB 4.39Å; M407-I481 HydrophobicContact CE-CG1 4.21Å; M407-I481 HydrophobicContact CE-CG2 4.45Å; M407-I481 HydrophobicContact CG-CG1 4.06Å; F477-I481 VanDerWaalsContact O-CD1 3.31Å; F477-I481 WeakPolarHBondContact O-CD1 3.46Å; F477-I481 WeakPolarHBondContact O-CG1 3.28Å; F477-I481 PolarHBondContact O-N 3.18Å; E478-I481 PolarHBondContact O-N 3.43Å; I481-K483 PolarHBondContact O-N 2.9Å; I481-C484 PolarHBondContact O-N 2.74Å; I481-L485 HydrophobicContact CG2-CD1 3.78Å; I481-L485 PolarHBondContact O-N 3.15Å
482	D	98.9	Very high	98.7	Very high	28 Å²	28	35.3 Å²	35.3	15%	0.15	19%	0.194	C	C	.	.	H	α-helix	trans	-59.2	-47	178.2	-80.3	-17.6	0	0	0	111.5	S384 R386 H387 E478 H480 C484 L485 D486	S384-D482 WeakPolarHBondContact CB-OD1 3.11Å; S384-D482 PolarHBondContact OG-OD1 2.88Å; R386-D482 IonicContact NE-OD1 3.8Å; R386-D482 PolarHBondContact NH2-O 3.23Å; R386-D482 IonicContact NH2-OD1 2.71Å; H387-D482 IonicContact CD2-OD1 3.37Å; H387-D482 PolarHBondContact CD2-OD1 2.64Å; H387-D482 IonicContact NE2-OD1 2.82Å; E478-D482 WeakPolarHBondContact O-CB 3.45Å; E478-D482 PolarHBondContact O-N 2.65Å; H480-D482 VanDerWaalsContact C-N 3.35Å; H480-D482 PolarHBondContact O-N 2.74Å; D482-C484 VanDerWaalsContact C-N 3.34Å; D482-C484 PolarHBondContact O-N 3Å; D482-L485 PolarHBondContact O-N 2.87Å; D482-D486 PolarHBondContact O-N 2.87Å
483	K	98.8	Very high	98.6	Very high	82 Å²	82	36.4 Å²	36.4	36%	0.357	20%	0.202	S	C	.	.	H	α-helix	trans	-57.4	-45.5	176.8	179	-173.9	172.7	-171.1	0	111.9	Q479 H480 I481 L485 D486 L487 P574 A576	Q479-K483 WeakPolarHBondContact O-CB 3.2Å; Q479-K483 PolarHBondContact O-N 3.19Å; H480-K483 PolarHBondContact O-N 3.07Å; I481-K483 PolarHBondContact O-N 2.9Å; K483-L485 VanDerWaalsContact C-N 3.35Å; K483-D486 PolarHBondContact O-N 3.38Å; K483-L487 HydrophobicContact CG-CD1 4.48Å; K483-L487 WeakPolarHBondContact O-CG 3.42Å; K483-L487 PolarHBondContact O-N 3Å; K483-P574 PolarHBondContact NZ-O 3.45Å; K483-A576 WeakPolarHBondContact CE-O 3.32Å; K483-A576 PolarHBondContact NZ-O 3.09Å; K483-A576 VanDerWaalsContact NZ-O 3.15Å
484	C	98.9	Very high	98.5	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-66.5	-37.2	-179.3	-68.3	0	0	0	0	112.4	M407 H480 I481 D482 L487 S488 T512 I571	M407-C484 HydrophobicContact CE-CB 3.37Å; H480-C484 PolarHBondContact O-N 3Å; H480-C484 VanDerWaalsContact O-N 3.12Å; H480-C484 PolarHBondContact O-SG 3.49Å; I481-C484 PolarHBondContact O-N 2.74Å; D482-C484 VanDerWaalsContact C-N 3.34Å; D482-C484 PolarHBondContact O-N 3Å; C484-L487 PolarHBondContact O-N 2.97Å; C484-S488 PolarHBondContact O-N 2.69Å; C484-S488 VanDerWaalsContact O-N 3.07Å; C484-T512 HydrophobicContact CB-CG2 4.05Å; C484-I571 HydrophobicContact CB-CB 4.36Å; C484-I571 HydrophobicContact CB-CG2 3.89Å
485	L	98.8	Very high	98.4	Very high	12 Å²	12	35.1 Å²	35.1	6%	0.063	18%	0.184	C	C	.	.	H	α-helix	trans	-67.8	-38	173.8	-77.8	156.8	0	0	0	111.8	L381 H387 I481 D482 K483 S488 A489 T512	L381-L485 HydrophobicContact CD1-CD1 4.18Å; L381-L485 HydrophobicContact CD2-CD1 4.08Å; L381-L485 HydrophobicContact CG-CD1 3.93Å; H387-L485 HydrophobicContact CB-CD1 4.03Å; H387-L485 WeakPolarHBondContact CD2-CD1 3.11Å; I481-L485 HydrophobicContact CG2-CD1 3.78Å; I481-L485 PolarHBondContact O-N 3.15Å; D482-L485 PolarHBondContact O-N 2.87Å; K483-L485 VanDerWaalsContact C-N 3.35Å; L485-S488 WeakPolarHBondContact O-CB 3.29Å; L485-S488 PolarHBondContact O-N 2.8Å; L485-A489 PolarHBondContact O-N 2.99Å; L485-T512 HydrophobicContact CD2-CG2 3.86Å; L485-T512 HydrophobicContact CG-CG2 3.86Å
486	D	98.8	Very high	98.2	Very high	71 Å²	71	35.2 Å²	35.2	38%	0.38	18%	0.178	S	C	.	.	H	α-helix	trans	-64.7	-38.8	174.3	-65.4	-27.7	0	0	0	111.8	R386 D482 K483 S488 A489 Y490	R386-D486 IonicContact CZ-OD1 2.74Å; R386-D486 VanDerWaalsContact CZ-OD1 3.25Å; R386-D486 IonicContact NH1-OD1 2.73Å; R386-D486 PolarHBondContact NH1-OD1 2.81Å; R386-D486 IonicContact NH1-OD2 3.21Å; R386-D486 VanDerWaalsContact NH2-CG 3.31Å; R386-D486 IonicContact NH2-OD1 3.12Å; R386-D486 PolarHBondContact NH2-OD1 3.01Å; R386-D486 IonicContact NH2-OD2 3.63Å; R386-D486 PolarHBondContact NH2-OD2 2.91Å; D482-D486 PolarHBondContact O-N 2.87Å; K483-D486 PolarHBondContact O-N 3.38Å; D486-S488 VanDerWaalsContact C-N 3.3Å; D486-S488 PolarHBondContact O-N 3.3Å; D486-A489 PolarHBondContact O-N 2.85Å; D486-Y490 WeakPolarHBondContact O-CB 3.32Å; D486-Y490 PolarHBondContact O-N 2.63Å
487	L	98.8	Very high	97.9	Very high	9 Å²	9	41.3 Å²	41.3	5%	0.047	21%	0.207	C	C	.	.	H	α-helix	trans	-66.5	-32.4	173.7	-69.8	174.4	0	0	0	112.4	K483 C484 Y490 L491 I571 A576 R578 I581	K483-L487 HydrophobicContact CG-CD1 4.48Å; K483-L487 WeakPolarHBondContact O-CG 3.42Å; K483-L487 PolarHBondContact O-N 3Å; C484-L487 PolarHBondContact O-N 2.97Å; L487-Y490 WeakPolarHBondContact O-CB 3.48Å; L487-Y490 PolarHBondContact O-N 3.22Å; L487-L491 PolarHBondContact O-N 3.25Å; L487-I571 HydrophobicContact CB-CD1 3.54Å; L487-I571 HydrophobicContact CB-CG2 4.43Å; L487-I571 HydrophobicContact CD1-CG2 4.22Å; L487-A576 HydrophobicContact CD1-CB 4.14Å; L487-A576 WeakPolarHBondContact CD1-O 3.4Å; L487-R578 HydrophobicContact CD2-CB 4.45Å; L487-R578 HydrophobicContact CD2-CG 3.69Å; L487-I581 HydrophobicContact CD2-CG1 4.41Å
488	S	98.3	Very high	97.8	Very high	4 Å²	4	45.8 Å²	45.8	3%	0.028	22%	0.223	C	C	.	.	H	α-helix	trans	-71	-41.4	176.2	-175	0	0	0	0	111.7	C484 L485 D486 Y490 L491 Y492 H511 T512 V514	C484-S488 PolarHBondContact O-N 2.69Å; C484-S488 VanDerWaalsContact O-N 3.07Å; L485-S488 WeakPolarHBondContact O-CB 3.29Å; L485-S488 PolarHBondContact O-N 2.8Å; D486-S488 VanDerWaalsContact C-N 3.3Å; D486-S488 PolarHBondContact O-N 3.3Å; S488-Y490 VanDerWaalsContact C-N 3.31Å; S488-L491 PolarHBondContact O-N 3.27Å; S488-Y492 WeakPolarHBondContact O-CB 3.34Å; S488-Y492 PolarHBondContact O-N 3.3Å; S488-H511 PolarHBondContact OG-O 3.01Å; S488-T512 VanDerWaalsContact OG-CA 3.31Å; S488-T512 WeakPolarHBondContact OG-CA 3.21Å; S488-T512 PolarHBondContact OG-O 2.86Å; S488-V514 VanDerWaalsContact OG-CG2 3.25Å; S488-V514 WeakPolarHBondContact OG-CG2 3.42Å
489	A	98.3	Very high	97.7	Very high	49 Å²	49	51.2 Å²	51.2	41%	0.405	25%	0.249	S	C	.	.	H	α-helix	trans	-60.9	-44.1	172.4	0	0	0	0	0	110.5	L485 D486 L491 Y492 D493	L485-A489 PolarHBondContact O-N 2.99Å; D486-A489 PolarHBondContact O-N 2.85Å; A489-L491 PolarHBondContact O-N 2.89Å; A489-Y492 PolarHBondContact O-N 3.12Å; A489-D493 PolarHBondContact O-N 3.11Å
490	Y	98.6	Very high	97.6	Very high	60 Å²	60	45.4 Å²	45.4	24%	0.235	22%	0.224	C	C	.	.	H	α-helix	trans	-57.4	-47.1	174.6	178	-103.5	0	0	0	112.9	D486 L487 S488 D493 K494 R578 I581 D582	D486-Y490 WeakPolarHBondContact O-CB 3.32Å; D486-Y490 PolarHBondContact O-N 2.63Å; L487-Y490 WeakPolarHBondContact O-CB 3.48Å; L487-Y490 PolarHBondContact O-N 3.22Å; S488-Y490 VanDerWaalsContact C-N 3.31Å; Y490-D493 PolarHBondContact O-N 3.34Å; Y490-K494 HydrophobicContact CE1-CD 4.35Å; Y490-K494 WeakPolarHBondContact O-CB 3.45Å; Y490-K494 PolarHBondContact O-N 2.99Å; Y490-R578 HydrophobicContact CD1-CB 4.19Å; Y490-R578 HydrophobicContact CD1-CG 3.89Å; Y490-R578 HydrophobicContact CD2-CG 4.45Å; Y490-R578 HydrophobicContact CE1-CB 3.85Å; Y490-R578 HydrophobicContact CE1-CG 3.99Å; Y490-R578 HydrophobicContact CG-CG 4.13Å; Y490-I581 HydrophobicContact CD1-CB 4.18Å; Y490-I581 HydrophobicContact CD1-CG2 4.02Å; Y490-I581 HydrophobicContact CE1-CB 4.27Å; Y490-I581 HydrophobicContact CE1-CG2 4.26Å; Y490-D582 WeakPolarHBondContact CE1-OD1 3.42Å; Y490-D582 PolarHBondContact OH-OD1 3.09Å
491	L	98.5	Very high	97.5	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-59.7	-49.5	175.8	173.1	58.2	0	0	0	111.4	L487 S488 A489 D493 K494 I495 V514 M569 I581 V585	L487-L491 PolarHBondContact O-N 3.25Å; S488-L491 PolarHBondContact O-N 3.27Å; A489-L491 PolarHBondContact O-N 2.89Å; L491-D493 VanDerWaalsContact C-N 3.35Å; L491-D493 PolarHBondContact O-N 3.39Å; L491-K494 WeakPolarHBondContact O-CB 3.49Å; L491-K494 PolarHBondContact O-N 3.25Å; L491-K494 VanDerWaalsContact O-N 3.15Å; L491-I495 HydrophobicContact CD1-CD1 4.28Å; L491-I495 HydrophobicContact CD1-CG2 3.87Å; L491-I495 HydrophobicContact CG-CD1 4.41Å; L491-I495 WeakPolarHBondContact O-CG1 3.22Å; L491-I495 PolarHBondContact O-N 2.9Å; L491-I495 VanDerWaalsContact O-N 3.1Å; L491-V514 HydrophobicContact CB-CG2 4.42Å; L491-V514 HydrophobicContact CD2-CB 3.82Å; L491-V514 HydrophobicContact CD2-CG1 4.22Å; L491-V514 HydrophobicContact CD2-CG2 3.82Å; L491-V514 HydrophobicContact CG-CB 4.34Å; L491-V514 HydrophobicContact CG-CG1 4.26Å; L491-V514 HydrophobicContact CG-CG2 4.22Å; L491-M569 HydrophobicContact CD2-CB 3.84Å; L491-M569 HydrophobicContact CD2-CG 3.2Å; L491-I581 HydrophobicContact CB-CG2 3.6Å; L491-I581 HydrophobicContact CD1-CG2 3.66Å; L491-I581 HydrophobicContact CG-CG2 4.1Å; L491-V585 HydrophobicContact CD1-CG2 3.67Å
492	Y	98.1	Very high	97.5	Very high	24 Å²	24	50 Å²	50	9%	0.094	25%	0.245	C	C	.	.	H	α-helix	trans	-56.5	-48.9	179.7	173	-101.9	0	0	0	111.4	S488 A489 K494 I495 K496 M503 E508 P509	S488-Y492 WeakPolarHBondContact O-CB 3.34Å; S488-Y492 PolarHBondContact O-N 3.3Å; A489-Y492 PolarHBondContact O-N 3.12Å; Y492-K494 VanDerWaalsContact C-N 3.27Å; Y492-K494 PolarHBondContact O-N 3.15Å; Y492-I495 PolarHBondContact O-N 3.38Å; Y492-K496 HydrophobicContact CD1-CD 4.03Å; Y492-K496 HydrophobicContact CE1-CD 3.58Å; Y492-K496 HydrophobicContact CE2-CB 4.24Å; Y492-K496 VanDerWaalsContact O-CB 3.29Å; Y492-K496 WeakPolarHBondContact O-CB 3.2Å; Y492-K496 WeakPolarHBondContact O-CG 3.3Å; Y492-K496 PolarHBondContact O-N 2.77Å; Y492-M503 HydrophobicContact CD2-CE 3.62Å; Y492-M503 HydrophobicContact CD2-SD 3.96Å; Y492-M503 HydrophobicContact CE2-CE 3.74Å; Y492-M503 HydrophobicContact CE2-CG 4.12Å; Y492-M503 HydrophobicContact CE2-SD 4.07Å; Y492-E508 HydrophobicContact CD1-CG 4.46Å; Y492-E508 HydrophobicContact CE1-CB 4.41Å; Y492-E508 HydrophobicContact CE1-CG 3.69Å; Y492-P509 HydrophobicContact CD2-CG 4.06Å; Y492-P509 HydrophobicContact CG-CG 4.39Å
493	D	97.1	Very high	97.4	Very high	85 Å²	85	50.2 Å²	50.2	46%	0.455	25%	0.245	S	C	.	.	H	α-helix	trans	-62.1	-34.4	178.1	-74.9	-28.1	0	0	0	113	A489 Y490 L491 K496	A489-D493 PolarHBondContact O-N 3.11Å; Y490-D493 PolarHBondContact O-N 3.34Å; L491-D493 VanDerWaalsContact C-N 3.35Å; L491-D493 PolarHBondContact O-N 3.39Å; D493-K496 WeakPolarHBondContact OD1-CE 3.38Å; D493-K496 IonicContact OD1-NZ 2.81Å; D493-K496 PolarHBondContact OD1-NZ 3.3Å
494	K	96.3	Very high	97.3	Very high	56 Å²	56	46.8 Å²	46.8	24%	0.243	23%	0.231	C	C	.	.	H	α-helix	trans	-69.7	-34	178.7	-168.5	-178.9	177.3	98.6	0	112.8	Y490 L491 Y492 D582 V585	Y490-K494 HydrophobicContact CE1-CD 4.35Å; Y490-K494 WeakPolarHBondContact O-CB 3.45Å; Y490-K494 PolarHBondContact O-N 2.99Å; L491-K494 WeakPolarHBondContact O-CB 3.49Å; L491-K494 PolarHBondContact O-N 3.25Å; L491-K494 VanDerWaalsContact O-N 3.15Å; Y492-K494 VanDerWaalsContact C-N 3.27Å; Y492-K494 PolarHBondContact O-N 3.15Å; K494-D582 WeakPolarHBondContact CD-OD1 3.42Å; K494-D582 VanDerWaalsContact CE-OD1 3.22Å; K494-D582 WeakPolarHBondContact CE-OD1 3.33Å; K494-D582 IonicContact NZ-OD1 2.73Å; K494-D582 PolarHBondContact NZ-OD1 3.2Å; K494-V585 HydrophobicContact CD-CG2 4.31Å
495	I	97.1	Very high	97	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-104.1	-24.1	-173.1	71	178.3	0	0	0	114.5	L491 Y492 N497 R498 F501 M503 V514 F516 V585	L491-I495 HydrophobicContact CD1-CD1 4.28Å; L491-I495 HydrophobicContact CD1-CG2 3.87Å; L491-I495 HydrophobicContact CG-CD1 4.41Å; L491-I495 WeakPolarHBondContact O-CG1 3.22Å; L491-I495 PolarHBondContact O-N 2.9Å; L491-I495 VanDerWaalsContact O-N 3.1Å; Y492-I495 PolarHBondContact O-N 3.38Å; I495-N497 PolarHBondContact O-N 3.34Å; I495-R498 PolarHBondContact O-N 2.99Å; I495-F501 HydrophobicContact CB-CB 4.07Å; I495-F501 HydrophobicContact CB-CD1 4.17Å; I495-F501 HydrophobicContact CB-CG 4.09Å; I495-F501 HydrophobicContact CG2-CD1 4.14Å; I495-F501 HydrophobicContact CG2-CE1 4.42Å; I495-F501 HydrophobicContact CG2-CG 4.33Å; I495-M503 HydrophobicContact CD1-SD 3.98Å; I495-M503 HydrophobicContact CG1-SD 3.98Å; I495-V514 HydrophobicContact CD1-CG1 3.85Å; I495-F516 HydrophobicContact CD1-CB 3.91Å; I495-F516 HydrophobicContact CD1-CD1 3.48Å; I495-F516 VanDerWaalsContact CD1-CD1 3.48Å; I495-F516 HydrophobicContact CD1-CD2 4.35Å; I495-F516 HydrophobicContact CD1-CE1 4.04Å; I495-F516 HydrophobicContact CD1-CG 3.65Å; I495-V585 HydrophobicContact CG2-CG1 4.27Å; I495-V585 HydrophobicContact CG2-CG2 3.77Å
496	K	95.3	Very high	96.3	Very high	77 Å²	77	56.5 Å²	56.5	34%	0.335	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-29.5	-171.5	68.5	-173.6	-176.7	-169.2	0	114.9	Y492 D493 M503	Y492-K496 HydrophobicContact CD1-CD 4.03Å; Y492-K496 HydrophobicContact CE1-CD 3.58Å; Y492-K496 HydrophobicContact CE2-CB 4.24Å; Y492-K496 VanDerWaalsContact O-CB 3.29Å; Y492-K496 WeakPolarHBondContact O-CB 3.2Å; Y492-K496 WeakPolarHBondContact O-CG 3.3Å; Y492-K496 PolarHBondContact O-N 2.77Å; D493-K496 WeakPolarHBondContact OD1-CE 3.38Å; D493-K496 IonicContact OD1-NZ 2.81Å; D493-K496 PolarHBondContact OD1-NZ 3.3Å; K496-M503 HydrophobicContact CB-CG 4.43Å
497	N	92.4	Very high	95.8	Very high	146 Å²	146	54.5 Å²	54.5	78%	0.781	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-119.5	12.8	179.5	-64.3	-28.9	0	0	0	112.4	I495	I495-N497 PolarHBondContact O-N 3.34Å
498	R	96.1	Very high	95.5	Very high	93 Å²	93	59.9 Å²	59.9	35%	0.351	29%	0.29	S	S	.	.	S	Bend	trans	-88	130.4	-177.7	-172.3	174.4	179.8	93.6	-1.5	109.5	I495 G500 F501 E589	I495-R498 PolarHBondContact O-N 2.99Å; R498-G500 PolarHBondContact O-N 3Å; R498-F501 HydrophobicContact CB-CD2 4.2Å; R498-F501 HydrophobicContact CG-CD2 4.01Å; R498-F501 HydrophobicContact CG-CE2 4.46Å; R498-F501 PolarHBondContact O-N 3.19Å; R498-F501 VanDerWaalsContact O-N 3.12Å; R498-E589 IonicContact CZ-OE1 3.95Å; R498-E589 VanDerWaalsContact CZ-OE1 3.25Å; R498-E589 IonicContact CZ-OE2 3.7Å; R498-E589 IonicContact NE-OE1 3.81Å; R498-E589 PolarHBondContact NE-OE1 3.42Å; R498-E589 IonicContact NE-OE2 3.65Å; R498-E589 VanDerWaalsContact NH2-CD 3.27Å; R498-E589 IonicContact NH2-OE1 2.89Å; R498-E589 PolarHBondContact NH2-OE1 3.18Å; R498-E589 IonicContact NH2-OE2 2.75Å; R498-E589 PolarHBondContact NH2-OE2 3.33Å
499	E	95.9	Very high	95.4	Very high	137 Å²	137	61 Å²	61	64%	0.64	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57	137.5	176.1	-164.7	-164.7	161.6	0	0	110.7	F501 R524	E499-F501 VanDerWaalsContact C-N 3.3Å; E499-R524 VanDerWaalsContact OE1-CD 3.32Å; E499-R524 WeakPolarHBondContact OE1-CD 3.32Å; E499-R524 IonicContact OE1-CZ 2.85Å; E499-R524 IonicContact OE1-NE 2.84Å; E499-R524 IonicContact OE1-NH1 3.16Å; E499-R524 PolarHBondContact OE1-NH1 2.82Å; E499-R524 IonicContact OE2-NH1 3.79Å
500	G	96.9	Very high	95.4	Very high	7 Å²	7	60.1 Å²	60.1	7%	0.072	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	83.3	0.8	-177.7	0	0	0	0	0	114.3	R498 Y518 I519	R498-G500 PolarHBondContact O-N 3Å; G500-Y518 CarbonylContact O-C 3.58Å; G500-Y518 WeakPolarHBondContact O-CA 3.44Å; G500-Y518 WeakPolarHBondContact O-CD2 3.42Å; G500-I519 WeakPolarHBondContact CA-O 3.22Å; G500-I519 PolarHBondContact O-N 3.28Å
501	F	97.9	Very high	95.4	Very high	18 Å²	18	57.3 Å²	57.3	8%	0.079	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	137.8	169.9	-69.2	-95.9	0	0	0	110.4	I495 R498 E499 F516 W517 Y518 V585 I588 E589	I495-F501 HydrophobicContact CB-CB 4.07Å; I495-F501 HydrophobicContact CB-CD1 4.17Å; I495-F501 HydrophobicContact CB-CG 4.09Å; I495-F501 HydrophobicContact CG2-CD1 4.14Å; I495-F501 HydrophobicContact CG2-CE1 4.42Å; I495-F501 HydrophobicContact CG2-CG 4.33Å; R498-F501 HydrophobicContact CB-CD2 4.2Å; R498-F501 HydrophobicContact CG-CD2 4.01Å; R498-F501 HydrophobicContact CG-CE2 4.46Å; R498-F501 PolarHBondContact O-N 3.19Å; R498-F501 VanDerWaalsContact O-N 3.12Å; E499-F501 VanDerWaalsContact C-N 3.3Å; F501-F516 AromaticContact CD1-CD2 3.57Å; F501-F516 HydrophobicContact CD1-CD2 3.57Å; F501-F516 AromaticContact CD1-CE2 3.77Å; F501-F516 HydrophobicContact CD1-CE2 3.77Å; F501-F516 HydrophobicContact CD1-CG 4.41Å; F501-F516 AromaticContact CE1-CD2 3.95Å; F501-F516 HydrophobicContact CE1-CD2 3.95Å; F501-F516 AromaticContact CE1-CE2 3.63Å; F501-F516 HydrophobicContact CE1-CE2 3.63Å; F501-F516 HydrophobicContact CE1-CZ 4.46Å; F501-W517 WeakPolarHBondContact CA-O 3.4Å; F501-Y518 HydrophobicContact CD2-CD2 4.48Å; F501-Y518 HydrophobicContact CE1-CD2 4.15Å; F501-Y518 HydrophobicContact CE2-CD2 4.03Å; F501-Y518 HydrophobicContact CE2-CE2 4.22Å; F501-Y518 AromaticContact CZ-CD2 3.85Å; F501-Y518 HydrophobicContact CZ-CD2 3.85Å; F501-Y518 HydrophobicContact CZ-CE2 4.34Å; F501-V585 HydrophobicContact CE1-CG1 4.48Å; F501-V585 HydrophobicContact CE2-CG1 4Å; F501-V585 HydrophobicContact CZ-CG1 3.75Å; F501-I588 HydrophobicContact CE1-CG2 4.14Å; F501-I588 HydrophobicContact CZ-CG2 4.21Å; F501-E589 HydrophobicContact CE2-CG 3.57Å; F501-E589 WeakPolarHBondContact CE2-OE1 3.47Å; F501-E589 HydrophobicContact CZ-CG 3.78Å
502	E	97.3	Very high	95.4	Very high	93 Å²	93	57.3 Å²	57.3	44%	0.435	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	126.8	176.9	-171.4	176.5	156.6	0	0	109.9	F516 W517 I519	E502-F516 CarbonylContact O-C 3.55Å; E502-F516 WeakPolarHBondContact O-CA 3.41Å; E502-F516 WeakPolarHBondContact O-CB 3.47Å; E502-W517 HydrophobicContact CB-CE3 4.44Å; E502-W517 HydrophobicContact CG-CE3 4.37Å; E502-W517 PolarHBondContact N-O 3.08Å; E502-W517 PolarHBondContact O-N 2.92Å; E502-I519 HydrophobicContact CB-CD1 4.26Å; E502-I519 HydrophobicContact CB-CG1 4.07Å
503	M	97.7	Very high	95.4	Very high	31 Å²	31	56.1 Å²	56.1	15%	0.153	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	136.3	178.5	-65.4	-55.9	-53.9	0	0	110.9	Y492 I495 K496 F505 V514 C515 F516	Y492-M503 HydrophobicContact CD2-CE 3.62Å; Y492-M503 HydrophobicContact CD2-SD 3.96Å; Y492-M503 HydrophobicContact CE2-CE 3.74Å; Y492-M503 HydrophobicContact CE2-CG 4.12Å; Y492-M503 HydrophobicContact CE2-SD 4.07Å; I495-M503 HydrophobicContact CD1-SD 3.98Å; I495-M503 HydrophobicContact CG1-SD 3.98Å; K496-M503 HydrophobicContact CB-CG 4.43Å; M503-F505 WeakPolarHBondContact CB-O 3.44Å; M503-F505 PolarHBondContact O-N 3.43Å; M503-V514 HydrophobicContact CE-CG1 3.91Å; M503-C515 VanDerWaalsContact CE-O 3.28Å; M503-C515 WeakPolarHBondContact CE-O 3.32Å; M503-F516 HydrophobicContact SD-CB 4.28Å
504	V	97	Very high	95.5	Very high	10 Å²	10	52.1 Å²	52.1	6%	0.061	25%	0.247	C	C	.	.	S	Bend	trans	-66.4	-28.7	-179.8	174.3	0	0	0	0	112.5	Y351 C515 W517 K563 F566	Y351-V504 HydrophobicContact CE1-CG1 3.85Å; V504-C515 HydrophobicContact CB-CB 3.81Å; V504-C515 HydrophobicContact CG1-CB 4.4Å; V504-C515 VanDerWaalsContact CG2-C 3.49Å; V504-C515 HydrophobicContact CG2-CB 3.87Å; V504-C515 WeakPolarHBondContact CG2-O 3.35Å; V504-C515 PolarHBondContact N-O 3.38Å; V504-W517 VanDerWaalsContact CA-CZ3 3.49Å; V504-W517 HydrophobicContact CB-CH2 4.26Å; V504-W517 HydrophobicContact CB-CZ3 4.14Å; V504-W517 HydrophobicContact CG1-CH2 4.1Å; V504-W517 HydrophobicContact CG1-CZ3 4.47Å; V504-W517 HydrophobicContact CG2-CD2 4.08Å; V504-W517 HydrophobicContact CG2-CE3 3.88Å; V504-W517 HydrophobicContact CG2-CH2 4.03Å; V504-W517 HydrophobicContact CG2-CZ2 4.21Å; V504-W517 HydrophobicContact CG2-CZ3 3.88Å; V504-K563 HydrophobicContact CG1-CD 3.67Å; V504-F566 HydrophobicContact CG1-CD1 4.11Å; V504-F566 HydrophobicContact CG1-CD2 4.47Å; V504-F566 HydrophobicContact CG1-CE1 4.06Å; V504-F566 HydrophobicContact CG1-CE2 4.39Å; V504-F566 HydrophobicContact CG1-CG 4.34Å; V504-F566 HydrophobicContact CG1-CZ 4.2Å; V504-F566 HydrophobicContact CG2-CB 3.51Å; V504-F566 HydrophobicContact CG2-CD1 3.94Å; V504-F566 HydrophobicContact CG2-CD2 3.71Å; V504-F566 HydrophobicContact CG2-CE2 4.37Å; V504-F566 HydrophobicContact CG2-CG 3.46Å; V504-F566 VanDerWaalsContact CG2-CG 3.46Å
505	F	92.3	Very high	95.6	Very high	16 Å²	16	49.4 Å²	49.4	7%	0.07	24%	0.235	C	C	.	.	S	Bend	trans	-143.5	150.4	172.7	57.3	-90.4	0	0	0	109.4	Y351 M503 S507 C515	Y351-F505 AromaticContact CD1-CD1 4Å; Y351-F505 HydrophobicContact CD1-CD1 4Å; Y351-F505 AromaticContact CD1-CE1 3.68Å; Y351-F505 HydrophobicContact CD1-CE1 3.68Å; Y351-F505 HydrophobicContact CD2-CD1 4.22Å; Y351-F505 HydrophobicContact CD2-CE1 4.24Å; Y351-F505 HydrophobicContact CE1-CD1 4.09Å; Y351-F505 HydrophobicContact CE1-CE1 4.22Å; Y351-F505 HydrophobicContact CE2-CD1 4.29Å; Y351-F505 HydrophobicContact CG-CD1 4.1Å; Y351-F505 AromaticContact CG-CE1 3.72Å; Y351-F505 HydrophobicContact CG-CE1 3.72Å; M503-F505 WeakPolarHBondContact CB-O 3.44Å; M503-F505 PolarHBondContact O-N 3.43Å; F505-S507 VanDerWaalsContact C-N 3.35Å; F505-S507 VanDerWaalsContact CD2-O 3.29Å; F505-S507 WeakPolarHBondContact CD2-O 3.46Å; F505-S507 VanDerWaalsContact CD2-OG 3.25Å; F505-S507 WeakPolarHBondContact CD2-OG 3.02Å; F505-S507 WeakPolarHBondContact CE2-O 3.48Å; F505-S507 WeakPolarHBondContact CE2-OG 3.24Å; F505-S507 PolarHBondContact O-N 3.38Å; F505-C515 HydrophobicContact CE1-CB 4.07Å
506	K	84.4	Confident	95.7	Very high	200 Å²	200	49.5 Å²	49.5	87%	0.87	24%	0.236	S	C	*	.	S	Bend	trans	-76.3	-16.5	-169.2	-66.2	-178.8	179.6	175.6	0	114.9
507	S	88.1	Confident	95.8	Very high	29 Å²	29	47.1 Å²	47.1	20%	0.203	22%	0.224	C	C	.	.	S	Bend	trans	-85.7	154.2	-177.1	73.2	0	0	0	0	112.3	R317 F505	R317-S507 WeakPolarHBondContact CG-OG 3.5Å; R317-S507 PolarHBondContact NE-OG 3.19Å; F505-S507 VanDerWaalsContact C-N 3.35Å; F505-S507 VanDerWaalsContact CD2-O 3.29Å; F505-S507 WeakPolarHBondContact CD2-O 3.46Å; F505-S507 VanDerWaalsContact CD2-OG 3.25Å; F505-S507 WeakPolarHBondContact CD2-OG 3.02Å; F505-S507 WeakPolarHBondContact CE2-O 3.48Å; F505-S507 WeakPolarHBondContact CE2-OG 3.24Å; F505-S507 PolarHBondContact O-N 3.38Å
508	E	92.6	Very high	96.1	Very high	123 Å²	123	40.3 Å²	40.3	58%	0.575	19%	0.188	S	C	*	.	P	Polyproline II helix	trans	-59.3	139.6	172.3	-60	-171.7	164.6	0	0	112.1	R317 Y492	R317-E508 PolarHBondContact NH2-O 3.08Å; Y492-E508 HydrophobicContact CD1-CG 4.46Å; Y492-E508 HydrophobicContact CE1-CB 4.41Å; Y492-E508 HydrophobicContact CE1-CG 3.69Å
509	P	96.1	Very high	96.2	Very high	26 Å²	26	36.5 Å²	36.5	17%	0.169	17%	0.174	C	C	.	.	P	Polyproline II helix	trans	-52.4	134.9	171.4	-31	38.1	0	0	0	113.4	Y492 H511 N513 V514	Y492-P509 HydrophobicContact CD2-CG 4.06Å; Y492-P509 HydrophobicContact CG-CG 4.39Å; P509-H511 WeakPolarHBondContact CB-O 3.45Å; P509-N513 WeakPolarHBondContact CB-O 3.06Å; P509-V514 HydrophobicContact CG-CG2 4.18Å
510	Q	97.4	Very high	96.3	Very high	31 Å²	31	30 Å²	30	15%	0.145	14%	0.144	C	C	.	.	S	Bend	trans	-87.7	-21.9	176.3	-61.1	-174.9	-65.2	0	0	112.7	F354 K390	F354-Q510 HydrophobicContact CD2-CB 3.75Å; F354-Q510 HydrophobicContact CE2-CB 4.17Å; K390-Q510 VanDerWaalsContact CD-O 3.32Å; K390-Q510 WeakPolarHBondContact CD-O 3.31Å; K390-Q510 VanDerWaalsContact CE-O 3.24Å; K390-Q510 WeakPolarHBondContact CE-O 3.33Å; K390-Q510 PolarHBondContact NZ-O 3.39Å
511	H	98.6	Very high	96.4	Very high	1 Å²	1	32 Å²	32	1%	0.005	16%	0.156	C	C	.	.	S	Bend	trans	-120.7	-170.3	173.1	-153.9	-77.5	0	0	0	109.8	F354 W377 L381 S488 P509 N513	F354-H511 HydrophobicContact CE2-CB 4.24Å; F354-H511 AromaticContact CZ-CD2 3.81Å; W377-H511 AromaticContact CD2-CE1 3.65Å; W377-H511 AromaticContact CD2-NE2 3.85Å; W377-H511 AromaticContact CE2-CE1 3.08Å; W377-H511 AromaticContact CE2-CG 3.94Å; W377-H511 AromaticContact CE2-ND1 3.24Å; W377-H511 AromaticContact CE2-NE2 3.64Å; W377-H511 AromaticContact CH2-CE1 3.63Å; W377-H511 AromaticContact CZ2-CE1 3.11Å; W377-H511 WeakPolarHBondContact CZ2-CE1 3.24Å; W377-H511 AromaticContact CZ2-ND1 3.21Å; W377-H511 WeakPolarHBondContact CZ2-ND1 3.35Å; W377-H511 AromaticContact NE1-CD2 3.76Å; W377-H511 AromaticContact NE1-CE1 3.46Å; W377-H511 PolarHBondContact NE1-CE1 3.46Å; W377-H511 AromaticContact NE1-CG 3.51Å; W377-H511 AromaticContact NE1-ND1 3.27Å; W377-H511 PolarHBondContact NE1-ND1 3.25Å; W377-H511 AromaticContact NE1-NE2 3.75Å; L381-H511 WeakPolarHBondContact CD1-NE2 3.33Å; S488-H511 PolarHBondContact OG-O 3.01Å; P509-H511 WeakPolarHBondContact CB-O 3.45Å; H511-N513 PolarHBondContact O-N 3.49Å; H511-N513 VanDerWaalsContact O-N 3.07Å
512	T	98.6	Very high	96.3	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	17%	0.171	C	C	.	.	S	Bend	trans	-67.6	5.5	170.2	65.2	0	0	0	0	115.2	W377 M407 C484 L485 S488 V570 I571	W377-T512 VanDerWaalsContact CZ2-OG1 3.3Å; W377-T512 WeakPolarHBondContact CZ2-OG1 3.35Å; M407-T512 HydrophobicContact CE-CG2 4.39Å; M407-T512 HydrophobicContact SD-CG2 4.39Å; C484-T512 HydrophobicContact CB-CG2 4.05Å; L485-T512 HydrophobicContact CD2-CG2 3.86Å; L485-T512 HydrophobicContact CG-CG2 3.86Å; S488-T512 VanDerWaalsContact OG-CA 3.31Å; S488-T512 WeakPolarHBondContact OG-CA 3.21Å; S488-T512 PolarHBondContact OG-O 2.86Å; T512-V570 WeakPolarHBondContact O-CA 3.23Å; T512-I571 VanDerWaalsContact CB-O 3.26Å; T512-I571 WeakPolarHBondContact CB-O 3.47Å; T512-I571 HydrophobicContact CG2-CB 4.42Å; T512-I571 VanDerWaalsContact CG2-O 3.28Å; T512-I571 WeakPolarHBondContact CG2-O 3.39Å; T512-I571 PolarHBondContact OG1-N 3.48Å; T512-I571 PolarHBondContact OG1-O 3.46Å
513	N	98.7	Very high	96.4	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	15%	0.151	C	C	.	.			trans	-84.9	109	-179.8	-68.2	70.8	0	0	0	110.7	T349 V350 W377 P509 H511 M569 V570	T349-N513 PolarHBondContact O-ND2 2.93Å; T349-N513 VanDerWaalsContact O-ND2 3.12Å; V350-N513 WeakPolarHBondContact O-CB 3.45Å; V350-N513 PolarHBondContact O-ND2 2.96Å; W377-N513 PolarHBondContact NE1-OD1 3.37Å; P509-N513 WeakPolarHBondContact CB-O 3.06Å; H511-N513 PolarHBondContact O-N 3.49Å; H511-N513 VanDerWaalsContact O-N 3.07Å; N513-M569 CarbonylContact C-O 3.48Å; N513-M569 VanDerWaalsContact CA-O 3.25Å; N513-M569 WeakPolarHBondContact CA-O 3.33Å; N513-V570 HydrophobicContact CB-CG1 4.48Å; N513-V570 WeakPolarHBondContact ND2-CG1 3.49Å
514	V	98.6	Very high	96.2	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	115.2	173.4	-169.3	0	0	0	0	108.9	S488 L491 I495 M503 P509 F516 M569	S488-V514 VanDerWaalsContact OG-CG2 3.25Å; S488-V514 WeakPolarHBondContact OG-CG2 3.42Å; L491-V514 HydrophobicContact CB-CG2 4.42Å; L491-V514 HydrophobicContact CD2-CB 3.82Å; L491-V514 HydrophobicContact CD2-CG1 4.22Å; L491-V514 HydrophobicContact CD2-CG2 3.82Å; L491-V514 HydrophobicContact CG-CB 4.34Å; L491-V514 HydrophobicContact CG-CG1 4.26Å; L491-V514 HydrophobicContact CG-CG2 4.22Å; I495-V514 HydrophobicContact CD1-CG1 3.85Å; M503-V514 HydrophobicContact CE-CG1 3.91Å; P509-V514 HydrophobicContact CG-CG2 4.18Å; V514-F516 HydrophobicContact CG1-CD1 4.24Å; V514-M569 HydrophobicContact CB-CB 4.39Å; V514-M569 PolarHBondContact N-O 3.15Å; V514-M569 PolarHBondContact O-N 2.89Å
515	C	98.7	Very high	96	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	119.8	-176.5	-61.6	0	0	0	0	110.7	V350 Y351 M503 V504 F505 F566 F567	V350-C515 PolarHBondContact O-SG 3.26Å; V350-C515 VanDerWaalsContact O-SG 3.37Å; Y351-C515 HydrophobicContact CD1-CB 4.39Å; M503-C515 VanDerWaalsContact CE-O 3.28Å; M503-C515 WeakPolarHBondContact CE-O 3.32Å; V504-C515 HydrophobicContact CB-CB 3.81Å; V504-C515 HydrophobicContact CG1-CB 4.4Å; V504-C515 VanDerWaalsContact CG2-C 3.49Å; V504-C515 HydrophobicContact CG2-CB 3.87Å; V504-C515 WeakPolarHBondContact CG2-O 3.35Å; V504-C515 PolarHBondContact N-O 3.38Å; F505-C515 HydrophobicContact CE1-CB 4.07Å; C515-F566 HydrophobicContact CB-CD2 4.01Å; C515-F566 HydrophobicContact CB-CE2 3.97Å; C515-F567 VanDerWaalsContact CA-O 3.31Å; C515-F567 WeakPolarHBondContact CA-O 3.25Å
516	F	98.7	Very high	96.1	Very high	1 Å²	1	36.4 Å²	36.4	0%	0.004	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	153.3	-175.9	62.6	-88.6	0	0	0	111.9	I495 F501 E502 M503 V514 F567 M569 I588	I495-F516 HydrophobicContact CD1-CB 3.91Å; I495-F516 HydrophobicContact CD1-CD1 3.48Å; I495-F516 VanDerWaalsContact CD1-CD1 3.48Å; I495-F516 HydrophobicContact CD1-CD2 4.35Å; I495-F516 HydrophobicContact CD1-CE1 4.04Å; I495-F516 HydrophobicContact CD1-CG 3.65Å; F501-F516 AromaticContact CD1-CD2 3.57Å; F501-F516 HydrophobicContact CD1-CD2 3.57Å; F501-F516 AromaticContact CD1-CE2 3.77Å; F501-F516 HydrophobicContact CD1-CE2 3.77Å; F501-F516 HydrophobicContact CD1-CG 4.41Å; F501-F516 AromaticContact CE1-CD2 3.95Å; F501-F516 HydrophobicContact CE1-CD2 3.95Å; F501-F516 AromaticContact CE1-CE2 3.63Å; F501-F516 HydrophobicContact CE1-CE2 3.63Å; F501-F516 HydrophobicContact CE1-CZ 4.46Å; E502-F516 CarbonylContact O-C 3.55Å; E502-F516 WeakPolarHBondContact O-CA 3.41Å; E502-F516 WeakPolarHBondContact O-CB 3.47Å; M503-F516 HydrophobicContact SD-CB 4.28Å; V514-F516 HydrophobicContact CG1-CD1 4.24Å; F516-F567 HydrophobicContact CD2-CB 4.3Å; F516-F567 HydrophobicContact CD2-CD2 4.39Å; F516-F567 HydrophobicContact CE1-CB 4.13Å; F516-F567 HydrophobicContact CE2-CB 3.9Å; F516-F567 AromaticContact CE2-CD2 3.89Å; F516-F567 HydrophobicContact CE2-CD2 3.89Å; F516-F567 HydrophobicContact CE2-CG 4.2Å; F516-F567 HydrophobicContact CZ-CB 3.81Å; F516-F567 HydrophobicContact CZ-CD2 4.49Å; F516-F567 HydrophobicContact CZ-CG 4.36Å; F516-F567 PolarHBondContact N-O 2.95Å; F516-F567 PolarHBondContact O-N 2.93Å; F516-M569 HydrophobicContact CE1-CB 3.96Å; F516-I588 HydrophobicContact CE2-CD1 3.95Å; F516-I588 HydrophobicContact CZ-CD1 3.76Å
517	W	98.6	Very high	96.6	Very high	27 Å²	27	31.9 Å²	31.9	10%	0.102	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	147.7	161.7	-67.4	-78.3	0	0	0	110.3	F501 E502 V504 I519 L536 K563 V564 N565 F566	F501-W517 WeakPolarHBondContact CA-O 3.4Å; E502-W517 HydrophobicContact CB-CE3 4.44Å; E502-W517 HydrophobicContact CG-CE3 4.37Å; E502-W517 PolarHBondContact N-O 3.08Å; E502-W517 PolarHBondContact O-N 2.92Å; V504-W517 VanDerWaalsContact CA-CZ3 3.49Å; V504-W517 HydrophobicContact CB-CH2 4.26Å; V504-W517 HydrophobicContact CB-CZ3 4.14Å; V504-W517 HydrophobicContact CG1-CH2 4.1Å; V504-W517 HydrophobicContact CG1-CZ3 4.47Å; V504-W517 HydrophobicContact CG2-CD2 4.08Å; V504-W517 HydrophobicContact CG2-CE3 3.88Å; V504-W517 HydrophobicContact CG2-CH2 4.03Å; V504-W517 HydrophobicContact CG2-CZ2 4.21Å; V504-W517 HydrophobicContact CG2-CZ3 3.88Å; W517-I519 HydrophobicContact CB-CD1 3.75Å; W517-L536 HydrophobicContact CB-CD1 4.27Å; W517-L536 HydrophobicContact CB-CD2 4.37Å; W517-L536 HydrophobicContact CD2-CD2 4.3Å; W517-L536 HydrophobicContact CG-CD1 4.4Å; W517-L536 HydrophobicContact CG-CD2 3.91Å; W517-L536 HydrophobicContact CG-CG 4.36Å; W517-K563 HydrophobicContact CH2-CB 4.27Å; W517-K563 HydrophobicContact CH2-CD 4.21Å; W517-K563 HydrophobicContact CH2-CG 4.19Å; W517-K563 HydrophobicContact CZ2-CB 3.89Å; W517-K563 HydrophobicContact CZ2-CG 4.3Å; W517-V564 PolarHBondContact NE1-O 2.96Å; W517-V564 VanDerWaalsContact NE1-O 3.14Å; W517-N565 PolarHBondContact NE1-O 3.33Å; W517-N565 VanDerWaalsContact NE1-O 3.16Å; W517-F566 HydrophobicContact CD2-CB 4.15Å; W517-F566 HydrophobicContact CG-CB 4.09Å; W517-F566 HydrophobicContact CZ2-CB 4.43Å; W517-F566 HydrophobicContact CZ2-CD1 4.16Å
518	Y	98.6	Very high	96.8	Very high	4 Å²	4	36.2 Å²	36.2	2%	0.016	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	127.1	157.7	178.3	-99.4	0	0	0	108.7	G500 F501 P520 V539 I543 I588 E589 G592	G500-Y518 CarbonylContact O-C 3.58Å; G500-Y518 WeakPolarHBondContact O-CA 3.44Å; G500-Y518 WeakPolarHBondContact O-CD2 3.42Å; F501-Y518 HydrophobicContact CD2-CD2 4.48Å; F501-Y518 HydrophobicContact CE1-CD2 4.15Å; F501-Y518 HydrophobicContact CE2-CD2 4.03Å; F501-Y518 HydrophobicContact CE2-CE2 4.22Å; F501-Y518 AromaticContact CZ-CD2 3.85Å; F501-Y518 HydrophobicContact CZ-CD2 3.85Å; F501-Y518 HydrophobicContact CZ-CE2 4.34Å; Y518-P520 HydrophobicContact CE1-CB 3.99Å; Y518-P520 WeakPolarHBondContact O-CD 3.45Å; Y518-V539 HydrophobicContact CD1-CG1 4.13Å; Y518-I543 HydrophobicContact CD1-CD1 3.62Å; Y518-I543 HydrophobicContact CE1-CD1 4.36Å; Y518-I543 HydrophobicContact CG-CD1 4.14Å; Y518-I588 HydrophobicContact CD2-CG2 3.87Å; Y518-I588 HydrophobicContact CG-CG2 3.82Å; Y518-E589 HydrophobicContact CE2-CB 4.35Å; Y518-E589 HydrophobicContact CE2-CG 3.83Å; Y518-E589 PolarHBondContact OH-O 3.02Å; Y518-G592 VanDerWaalsContact CE1-CA 3.47Å; Y518-G592 WeakPolarHBondContact CE1-O 3.38Å
519	I	98.4	Very high	96.9	Very high	12 Å²	12	31.5 Å²	31.5	6%	0.062	20%	0.198	C	C	.	.			trans	-105.4	100.3	-179.6	-46.5	-57.2	0	0	0	108.2	G500 E502 W517 L523 R524 L536	G500-I519 WeakPolarHBondContact CA-O 3.22Å; G500-I519 PolarHBondContact O-N 3.28Å; E502-I519 HydrophobicContact CB-CD1 4.26Å; E502-I519 HydrophobicContact CB-CG1 4.07Å; W517-I519 HydrophobicContact CB-CD1 3.75Å; I519-L523 HydrophobicContact CG2-CB 3.99Å; I519-R524 HydrophobicContact CG2-CG 4.05Å; I519-R524 PolarHBondContact O-NE 2.98Å; I519-R524 VanDerWaalsContact O-NE 3.08Å; I519-L536 HydrophobicContact CD1-CD1 3.68Å; I519-L536 HydrophobicContact CD1-CD2 3.99Å
520	P	98.1	Very high	96.8	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	22%	0.221	C	C	.	.			trans	-64.9	156.3	-179.6	29.9	-36.8	0	0	0	110.7	Y518 S522 L523 R524 V539 G592 L595	Y518-P520 HydrophobicContact CE1-CB 3.99Å; Y518-P520 WeakPolarHBondContact O-CD 3.45Å; P520-S522 PolarHBondContact O-N 2.79Å; P520-L523 HydrophobicContact CG-CB 4.2Å; P520-L523 HydrophobicContact CG-CD1 3.89Å; P520-L523 HydrophobicContact CG-CG 3.93Å; P520-L523 PolarHBondContact O-N 2.83Å; P520-R524 WeakPolarHBondContact O-CG 3.36Å; P520-R524 PolarHBondContact O-N 2.94Å; P520-V539 HydrophobicContact CG-CG2 3.95Å; P520-G592 WeakPolarHBondContact CB-O 3.48Å; P520-L595 HydrophobicContact CB-CB 4.02Å; P520-L595 WeakPolarHBondContact CB-O 3.36Å; P520-L595 HydrophobicContact CG-CB 4.33Å
521	P	97.9	Very high	96.8	Very high	50 Å²	50	41.5 Å²	41.5	33%	0.325	24%	0.241	S	C	.	.	G	3₁₀ helix	trans	-47	-39.3	179.5	-29	35.8	0	0	0	113.9	L523 R524 H593	P521-L523 PolarHBondContact O-N 3.45Å; P521-L523 VanDerWaalsContact O-N 3.14Å; P521-R524 PolarHBondContact O-N 2.85Å; P521-H593 VanDerWaalsContact CD-O 3.24Å; P521-H593 WeakPolarHBondContact CD-O 3.27Å; P521-H593 WeakPolarHBondContact CG-O 3.4Å
522	S	96.9	Very high	96.7	Very high	57 Å²	57	42.8 Å²	42.8	40%	0.399	25%	0.246	S	C	.	.	G	3₁₀ helix	trans	-65.9	-13.7	-179.3	76.8	0	0	0	0	115.3	P520 R535 L595	P520-S522 PolarHBondContact O-N 2.79Å; S522-R535 PolarHBondContact O-NH2 3.36Å; S522-R535 PolarHBondContact OG-NH2 3.04Å; S522-L595 VanDerWaalsContact CB-O 3.29Å; S522-L595 WeakPolarHBondContact CB-O 3.16Å; S522-L595 PolarHBondContact OG-O 3.35Å
523	L	97.6	Very high	96.6	Very high	3 Å²	3	47.4 Å²	47.4	2%	0.016	26%	0.264	C	S	.	.	G	3₁₀ helix	trans	-111.9	-5.2	178.2	-65	-175.8	0	0	0	113.3	I519 P520 P521 M526 R535 L536 V539	I519-L523 HydrophobicContact CG2-CB 3.99Å; P520-L523 HydrophobicContact CG-CB 4.2Å; P520-L523 HydrophobicContact CG-CD1 3.89Å; P520-L523 HydrophobicContact CG-CG 3.93Å; P520-L523 PolarHBondContact O-N 2.83Å; P521-L523 PolarHBondContact O-N 3.45Å; P521-L523 VanDerWaalsContact O-N 3.14Å; L523-M526 HydrophobicContact CD2-SD 3.92Å; L523-M526 WeakPolarHBondContact O-CB 3.29Å; L523-M526 PolarHBondContact O-N 2.71Å; L523-R535 HydrophobicContact CD1-CB 4.13Å; L523-R535 HydrophobicContact CD2-CB 3.78Å; L523-R535 HydrophobicContact CD2-CG 4.49Å; L523-L536 HydrophobicContact CD1-CB 4.19Å; L523-L536 HydrophobicContact CD1-CD1 4.39Å; L523-V539 HydrophobicContact CD1-CG2 4.11Å
524	R	95.1	Very high	96.5	Very high	77 Å²	77	52.3 Å²	52.3	29%	0.291	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.4	137	177.1	-62.1	-180	-166.5	174.9	3.2	109.3	E499 I519 P520 P521 M526	E499-R524 VanDerWaalsContact OE1-CD 3.32Å; E499-R524 WeakPolarHBondContact OE1-CD 3.32Å; E499-R524 IonicContact OE1-CZ 2.85Å; E499-R524 IonicContact OE1-NE 2.84Å; E499-R524 IonicContact OE1-NH1 3.16Å; E499-R524 PolarHBondContact OE1-NH1 2.82Å; E499-R524 IonicContact OE2-NH1 3.79Å; I519-R524 HydrophobicContact CG2-CG 4.05Å; I519-R524 PolarHBondContact O-NE 2.98Å; I519-R524 VanDerWaalsContact O-NE 3.08Å; P520-R524 WeakPolarHBondContact O-CG 3.36Å; P520-R524 PolarHBondContact O-N 2.94Å; P521-R524 PolarHBondContact O-N 2.85Å; R524-M526 PolarHBondContact O-N 3.25Å; R524-M526 VanDerWaalsContact O-N 3.14Å
525	G	91.9	Very high	96.5	Very high	85 Å²	85	56.9 Å²	56.9	88%	0.876	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	75	-11.1	-175.8	0	0	0	0	0	115.4
526	M	95.4	Very high	96.5	Very high	38 Å²	38	57.5 Å²	57.5	19%	0.187	31%	0.307	C	S	.	.	P	Polyproline II helix	trans	-66.2	130.5	172	-166.7	178.5	-174.1	0	0	109.6	L523 R524 E531 K532	L523-M526 HydrophobicContact CD2-SD 3.92Å; L523-M526 WeakPolarHBondContact O-CB 3.29Å; L523-M526 PolarHBondContact O-N 2.71Å; R524-M526 PolarHBondContact O-N 3.25Å; R524-M526 VanDerWaalsContact O-N 3.14Å; M526-E531 HydrophobicContact CE-CB 3.82Å; M526-E531 HydrophobicContact CE-CG 3.68Å; M526-E531 WeakPolarHBondContact CE-OE1 3.36Å; M526-E531 WeakPolarHBondContact CE-OE2 3.33Å; M526-K532 HydrophobicContact CB-CD 4.2Å; M526-K532 HydrophobicContact CB-CG 4.43Å; M526-K532 HydrophobicContact CE-CB 4.32Å; M526-K532 HydrophobicContact CG-CB 4.22Å; M526-K532 HydrophobicContact CG-CD 4.47Å; M526-K532 HydrophobicContact CG-CG 4.39Å; M526-K532 WeakPolarHBondContact O-CD 3.41Å; M526-K532 WeakPolarHBondContact O-CE 3.4Å; M526-K532 PolarHBondContact O-NZ 2.68Å; M526-K532 HydrophobicContact SD-CB 3.82Å; M526-K532 HydrophobicContact SD-CG 4.1Å
527	P	93.8	Very high	96.5	Very high	106 Å²	106	61.1 Å²	61.1	69%	0.688	32%	0.324	S	S	*	.	P	Polyproline II helix	trans	-62.3	146.6	177.6	24.4	-32.2	0	0	0	110.6	G529 K532	P527-G529 PolarHBondContact O-N 3.46Å; P527-K532 WeakPolarHBondContact O-CD 3.49Å
528	D	92	Very high	96.5	Very high	119 Å²	119	66.1 Å²	66.1	64%	0.636	35%	0.346	S	S	*	.	S	Bend	trans	-64.9	133	174.3	-176.7	38.7	0	0	0	110.4	R533	D528-R533 IonicContact OD1-NH1 2.71Å; D528-R533 PolarHBondContact OD1-NH1 3.44Å; D528-R533 VanDerWaalsContact OD1-NH1 3.08Å; D528-R533 IonicContact OD2-NH1 3.64Å; D528-R533 PolarHBondContact OD2-NH1 3.49Å; D528-R533 VanDerWaalsContact OD2-NH1 3.16Å
529	G	94.6	Very high	96.5	Very high	24 Å²	24	66.2 Å²	66.2	25%	0.247	35%	0.348	C	S	.	.	S	Bend	trans	178.1	173	-169.6	0	0	0	0	0	111.7	P527 E531 K532 R533	P527-G529 PolarHBondContact O-N 3.46Å; G529-E531 VanDerWaalsContact C-N 3.31Å; G529-E531 PolarHBondContact O-N 3.35Å; G529-K532 PolarHBondContact O-N 3.32Å; G529-R533 WeakPolarHBondContact O-CG 3.36Å; G529-R533 PolarHBondContact O-N 3.05Å
530	K	95.5	Very high	96.5	Very high	147 Å²	147	65.8 Å²	65.8	64%	0.639	35%	0.346	S	S	*	.	H	α-helix	trans	-56.1	-45.6	-177.5	-176.9	177.5	171.9	-177.9	0	111.8	R533 E534	K530-R533 PolarHBondContact O-N 2.85Å; K530-E534 WeakPolarHBondContact CE-OE1 3.09Å; K530-E534 HydrophobicContact CG-CG 4.48Å; K530-E534 IonicContact NZ-OE1 3.63Å; K530-E534 WeakPolarHBondContact O-CG 3.18Å; K530-E534 PolarHBondContact O-N 3.12Å
531	E	96.5	Very high	96.5	Very high	120 Å²	120	67.4 Å²	67.4	56%	0.561	36%	0.356	S	S	*	.	H	α-helix	trans	-62.8	-47.6	-179.8	-167.5	-166.2	152.7	0	0	112.3	M526 G529 R533 E534 R535	M526-E531 HydrophobicContact CE-CB 3.82Å; M526-E531 HydrophobicContact CE-CG 3.68Å; M526-E531 WeakPolarHBondContact CE-OE1 3.36Å; M526-E531 WeakPolarHBondContact CE-OE2 3.33Å; G529-E531 VanDerWaalsContact C-N 3.31Å; G529-E531 PolarHBondContact O-N 3.35Å; E531-R533 VanDerWaalsContact C-N 3.32Å; E531-R533 PolarHBondContact O-N 2.86Å; E531-E534 PolarHBondContact O-N 3.33Å; E531-R535 WeakPolarHBondContact O-CG 3.37Å; E531-R535 PolarHBondContact O-N 3.42Å
532	K	96.5	Very high	96.6	Very high	29 Å²	29	70.1 Å²	70.1	13%	0.126	36%	0.363	C	S	.	.	H	α-helix	trans	-59.2	-44.7	176.8	-172.7	-178.6	-174.4	176.5	0	111	M526 P527 G529 R535 L536	M526-K532 HydrophobicContact CB-CD 4.2Å; M526-K532 HydrophobicContact CB-CG 4.43Å; M526-K532 HydrophobicContact CE-CB 4.32Å; M526-K532 HydrophobicContact CG-CB 4.22Å; M526-K532 HydrophobicContact CG-CD 4.47Å; M526-K532 HydrophobicContact CG-CG 4.39Å; M526-K532 WeakPolarHBondContact O-CD 3.41Å; M526-K532 WeakPolarHBondContact O-CE 3.4Å; M526-K532 PolarHBondContact O-NZ 2.68Å; M526-K532 HydrophobicContact SD-CB 3.82Å; M526-K532 HydrophobicContact SD-CG 4.1Å; P527-K532 WeakPolarHBondContact O-CD 3.49Å; G529-K532 PolarHBondContact O-N 3.32Å; K532-R535 PolarHBondContact O-N 2.81Å; K532-L536 WeakPolarHBondContact O-CB 3.48Å; K532-L536 PolarHBondContact O-N 2.76Å
533	R	96.6	Very high	96.6	Very high	97 Å²	97	67.4 Å²	67.4	37%	0.366	34%	0.344	S	S	.	.	H	α-helix	trans	-63.9	-42.6	178.4	-73.2	-169.8	-67.1	-90.7	8.4	112.5	D528 G529 K530 E531 R535 L536 H537 V564	D528-R533 IonicContact OD1-NH1 2.71Å; D528-R533 PolarHBondContact OD1-NH1 3.44Å; D528-R533 VanDerWaalsContact OD1-NH1 3.08Å; D528-R533 IonicContact OD2-NH1 3.64Å; D528-R533 PolarHBondContact OD2-NH1 3.49Å; D528-R533 VanDerWaalsContact OD2-NH1 3.16Å; G529-R533 WeakPolarHBondContact O-CG 3.36Å; G529-R533 PolarHBondContact O-N 3.05Å; K530-R533 PolarHBondContact O-N 2.85Å; E531-R533 VanDerWaalsContact C-N 3.32Å; E531-R533 PolarHBondContact O-N 2.86Å; R533-R535 VanDerWaalsContact C-N 3.35Å; R533-R535 PolarHBondContact O-N 3Å; R533-L536 PolarHBondContact O-N 2.89Å; R533-H537 WeakPolarHBondContact O-CB 3.42Å; R533-H537 PolarHBondContact O-N 3.45Å; R533-V564 HydrophobicContact CB-CG1 4.02Å
534	E	97.2	Very high	96.7	Very high	103 Å²	103	68.1 Å²	68.1	48%	0.481	35%	0.347	S	S	.	.	H	α-helix	trans	-64	-38.7	176.8	-76.3	175.7	-178.4	0	0	112.5	K530 E531	K530-E534 WeakPolarHBondContact CE-OE1 3.09Å; K530-E534 HydrophobicContact CG-CG 4.48Å; K530-E534 IonicContact NZ-OE1 3.63Å; K530-E534 WeakPolarHBondContact O-CG 3.18Å; K530-E534 PolarHBondContact O-N 3.12Å; E531-E534 PolarHBondContact O-N 3.33Å
535	R	97.9	Very high	96.8	Very high	95 Å²	95	66.6 Å²	66.6	36%	0.358	35%	0.351	S	S	.	.	H	α-helix	trans	-69.7	-46.6	173.9	-68.8	177.1	64.8	-167.8	-10	111.3	S522 L523 E531 K532 R533 H537 K538	S522-R535 PolarHBondContact O-NH2 3.36Å; S522-R535 PolarHBondContact OG-NH2 3.04Å; L523-R535 HydrophobicContact CD1-CB 4.13Å; L523-R535 HydrophobicContact CD2-CB 3.78Å; L523-R535 HydrophobicContact CD2-CG 4.49Å; E531-R535 WeakPolarHBondContact O-CG 3.37Å; E531-R535 PolarHBondContact O-N 3.42Å; K532-R535 PolarHBondContact O-N 2.81Å; R533-R535 VanDerWaalsContact C-N 3.35Å; R533-R535 PolarHBondContact O-N 3Å; R535-H537 VanDerWaalsContact C-N 3.29Å; R535-H537 PolarHBondContact O-N 3.38Å; R535-K538 PolarHBondContact O-N 2.87Å; R535-K538 VanDerWaalsContact O-N 3.08Å
536	L	98.3	Very high	97.1	Very high	14 Å²	14	65.3 Å²	65.3	7%	0.073	32%	0.322	C	S	.	.	H	α-helix	trans	-60.5	-37.3	178.4	-176.5	58.9	0	0	0	112.3	W517 I519 L523 K532 R533 K538 V539 V564	W517-L536 HydrophobicContact CB-CD1 4.27Å; W517-L536 HydrophobicContact CB-CD2 4.37Å; W517-L536 HydrophobicContact CD2-CD2 4.3Å; W517-L536 HydrophobicContact CG-CD1 4.4Å; W517-L536 HydrophobicContact CG-CD2 3.91Å; W517-L536 HydrophobicContact CG-CG 4.36Å; I519-L536 HydrophobicContact CD1-CD1 3.68Å; I519-L536 HydrophobicContact CD1-CD2 3.99Å; L523-L536 HydrophobicContact CD1-CB 4.19Å; L523-L536 HydrophobicContact CD1-CD1 4.39Å; K532-L536 WeakPolarHBondContact O-CB 3.48Å; K532-L536 PolarHBondContact O-N 2.76Å; R533-L536 PolarHBondContact O-N 2.89Å; L536-K538 PolarHBondContact O-N 3.11Å; L536-K538 VanDerWaalsContact O-N 3.09Å; L536-V539 HydrophobicContact CD1-CB 4.39Å; L536-V539 HydrophobicContact CD1-CG2 4.21Å; L536-V539 WeakPolarHBondContact O-CB 3.43Å; L536-V539 PolarHBondContact O-N 2.93Å; L536-V564 HydrophobicContact CB-CG2 4.23Å; L536-V564 HydrophobicContact CD2-CG2 4.07Å; L536-V564 HydrophobicContact CG-CG2 4.03Å
537	H	98.5	Very high	97.3	Very high	77 Å²	77	63.5 Å²	63.5	36%	0.356	31%	0.314	S	S	.	.	H	α-helix	trans	-54.7	-30.3	175.7	-171.9	85	0	0	0	113	R533 R535 P541 V564 N565	R533-H537 WeakPolarHBondContact O-CB 3.42Å; R533-H537 PolarHBondContact O-N 3.45Å; R535-H537 VanDerWaalsContact C-N 3.29Å; R535-H537 PolarHBondContact O-N 3.38Å; H537-P541 VanDerWaalsContact O-CD 3.28Å; H537-P541 WeakPolarHBondContact O-CD 3.32Å; H537-P541 WeakPolarHBondContact O-CG 3.33Å; H537-V564 HydrophobicContact CB-CB 3.81Å; H537-V564 HydrophobicContact CB-CG1 4.05Å; H537-V564 HydrophobicContact CB-CG2 4.49Å; H537-N565 PolarHBondContact CD2-ND2 3.37Å; H537-N565 VanDerWaalsContact CE1-CG 3.5Å; H537-N565 PolarHBondContact CE1-ND2 3.47Å; H537-N565 PolarHBondContact ND1-N 3.3Å; H537-N565 PolarHBondContact NE2-ND2 2.92Å; H537-N565 WeakPolarHBondContact O-CB 3.32Å; H537-N565 PolarHBondContact O-ND2 2.92Å
538	K	98.6	Very high	97.4	Very high	131 Å²	131	60.5 Å²	60.5	57%	0.57	29%	0.291	S	S	*	.	H	α-helix	trans	-86.6	-14	-178.7	-59.8	177.1	-174.1	177.8	0	113.2	R535 L536 K542	R535-K538 PolarHBondContact O-N 2.87Å; R535-K538 VanDerWaalsContact O-N 3.08Å; L536-K538 PolarHBondContact O-N 3.11Å; L536-K538 VanDerWaalsContact O-N 3.09Å; K538-K542 VanDerWaalsContact O-CG 3.3Å; K538-K542 WeakPolarHBondContact O-CG 3.36Å; K538-K542 PolarHBondContact O-N 3.18Å
539	V	98.8	Very high	97.6	Very high	7 Å²	7	61 Å²	61	4%	0.042	29%	0.289	C	S	.	.	H	α-helix	trans	-67.6	-57.3	-174.8	175.5	0	0	0	0	111.5	Y518 P520 L523 L536 K542 I543 L595	Y518-V539 HydrophobicContact CD1-CG1 4.13Å; P520-V539 HydrophobicContact CG-CG2 3.95Å; L523-V539 HydrophobicContact CD1-CG2 4.11Å; L536-V539 HydrophobicContact CD1-CB 4.39Å; L536-V539 HydrophobicContact CD1-CG2 4.21Å; L536-V539 WeakPolarHBondContact O-CB 3.43Å; L536-V539 PolarHBondContact O-N 2.93Å; V539-K542 PolarHBondContact O-N 2.84Å; V539-K542 VanDerWaalsContact O-N 3.13Å; V539-I543 HydrophobicContact CG1-CD1 3.72Å; V539-I543 HydrophobicContact CG1-CG1 4.38Å; V539-I543 PolarHBondContact O-N 3Å; V539-L595 HydrophobicContact CG1-CD1 4.15Å
540	A	98.8	Very high	97.7	Very high	3 Å²	3	61.5 Å²	61.5	3%	0.025	29%	0.29	C	S	.	.	H	α-helix	trans	-59.7	-42.5	-176.8	0	0	0	0	0	113.7	K542 K544 Y557 N565 F567	A540-K542 PolarHBondContact O-N 3.31Å; A540-K544 WeakPolarHBondContact O-CB 3.49Å; A540-K544 PolarHBondContact O-N 3.08Å; A540-Y557 HydrophobicContact CB-CD1 4.5Å; A540-Y557 HydrophobicContact CB-CD2 4.29Å; A540-Y557 HydrophobicContact CB-CG 3.93Å; A540-N565 HydrophobicContact CB-CB 4.23Å; A540-F567 HydrophobicContact CB-CD2 4.28Å; A540-F567 HydrophobicContact CB-CE1 4.11Å; A540-F567 HydrophobicContact CB-CE2 3.85Å; A540-F567 HydrophobicContact CB-CZ 3.76Å
541	P	98.7	Very high	97.8	Very high	33 Å²	33	54.5 Å²	54.5	21%	0.214	26%	0.259	C	S	.	.	H	α-helix	trans	-56.1	-45.2	170.9	-24.6	30.7	0	0	0	114.3	H537 K544 A545 Y557 N565	H537-P541 VanDerWaalsContact O-CD 3.28Å; H537-P541 WeakPolarHBondContact O-CD 3.32Å; H537-P541 WeakPolarHBondContact O-CG 3.33Å; P541-K544 PolarHBondContact O-N 3.48Å; P541-A545 PolarHBondContact O-N 3.35Å; P541-Y557 HydrophobicContact CB-CE1 4.33Å; P541-Y557 HydrophobicContact CB-CE2 4.2Å; P541-Y557 HydrophobicContact CG-CD2 4.28Å; P541-Y557 HydrophobicContact CG-CE1 4.49Å; P541-Y557 HydrophobicContact CG-CE2 3.6Å; P541-N565 WeakPolarHBondContact CG-ND2 3.16Å
542	K	98.6	Very high	97.9	Very high	107 Å²	107	50.7 Å²	50.7	47%	0.465	24%	0.244	S	C	.	.	H	α-helix	trans	-64.8	-48	-179.7	-75.9	-177.9	178.3	-170.6	0	111.9	K538 V539 A540 K544 A545 M546 L595	K538-K542 VanDerWaalsContact O-CG 3.3Å; K538-K542 WeakPolarHBondContact O-CG 3.36Å; K538-K542 PolarHBondContact O-N 3.18Å; V539-K542 PolarHBondContact O-N 2.84Å; V539-K542 VanDerWaalsContact O-N 3.13Å; A540-K542 PolarHBondContact O-N 3.31Å; K542-K544 VanDerWaalsContact C-N 3.28Å; K542-K544 PolarHBondContact O-N 3.45Å; K542-A545 PolarHBondContact O-N 3.22Å; K542-M546 WeakPolarHBondContact O-CE 3.49Å; K542-M546 PolarHBondContact O-N 3.47Å; K542-M546 VanDerWaalsContact O-N 3.1Å; K542-L595 HydrophobicContact CB-CD1 3.98Å; K542-L595 HydrophobicContact CB-CD2 4.26Å; K542-L595 HydrophobicContact CD-CD1 4.46Å; K542-L595 HydrophobicContact CD-CD2 3.75Å
543	I	98.7	Very high	98	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-59.6	-42.5	176.3	-67	175.8	0	0	0	110.2	Y518 V539 M546 M547 F567 I588 L591 L595	Y518-I543 HydrophobicContact CD1-CD1 3.62Å; Y518-I543 HydrophobicContact CE1-CD1 4.36Å; Y518-I543 HydrophobicContact CG-CD1 4.14Å; V539-I543 HydrophobicContact CG1-CD1 3.72Å; V539-I543 HydrophobicContact CG1-CG1 4.38Å; V539-I543 PolarHBondContact O-N 3Å; I543-M546 HydrophobicContact CG1-CE 4.44Å; I543-M546 PolarHBondContact O-N 3.38Å; I543-M547 HydrophobicContact CG2-CE 4.3Å; I543-M547 WeakPolarHBondContact O-CB 3.36Å; I543-M547 PolarHBondContact O-N 3.17Å; I543-F567 HydrophobicContact CB-CZ 3.87Å; I543-F567 HydrophobicContact CD1-CE2 4.23Å; I543-F567 HydrophobicContact CD1-CZ 4.29Å; I543-F567 HydrophobicContact CG2-CE1 4.48Å; I543-F567 HydrophobicContact CG2-CZ 3.72Å; I543-I588 HydrophobicContact CD1-CG2 4.28Å; I543-L591 HydrophobicContact CG2-CB 4.11Å; I543-L591 HydrophobicContact CG2-CD1 4.35Å; I543-L595 HydrophobicContact CD1-CD1 4.14Å; I543-L595 HydrophobicContact CG1-CD1 3.54Å
544	K	98.4	Very high	98.1	Very high	19 Å²	19	45.4 Å²	45.4	8%	0.083	22%	0.224	C	C	.	.	H	α-helix	trans	-63.3	-41.2	177	178.5	52.9	173.7	-76.7	0	112.5	N190 A540 P541 K542 M547 M548 V555 Y557	N190-K544 PolarHBondContact OD1-NZ 3.16Å; A540-K544 WeakPolarHBondContact O-CB 3.49Å; A540-K544 PolarHBondContact O-N 3.08Å; P541-K544 PolarHBondContact O-N 3.48Å; K542-K544 VanDerWaalsContact C-N 3.28Å; K542-K544 PolarHBondContact O-N 3.45Å; K544-M547 HydrophobicContact CD-SD 4.47Å; K544-M547 WeakPolarHBondContact O-CB 3.29Å; K544-M547 PolarHBondContact O-N 2.8Å; K544-M548 HydrophobicContact CD-CG 4.04Å; K544-M548 HydrophobicContact CD-SD 4.16Å; K544-M548 HydrophobicContact CG-SD 4.18Å; K544-M548 WeakPolarHBondContact O-CG 3.49Å; K544-M548 PolarHBondContact O-N 3.49Å; K544-V555 WeakPolarHBondContact CD-O 3.42Å; K544-V555 PolarHBondContact NZ-O 3.26Å; K544-Y557 HydrophobicContact CB-CD1 3.69Å; K544-Y557 HydrophobicContact CB-CE1 3.6Å; K544-Y557 HydrophobicContact CG-CD1 3.97Å; K544-Y557 HydrophobicContact CG-CE1 3.75Å
545	A	98.3	Very high	98.1	Very high	45 Å²	45	40.5 Å²	40.5	37%	0.372	20%	0.201	S	C	.	.	H	α-helix	trans	-58.9	-51.6	176.3	0	0	0	0	0	111.1	P541 K542 M547 M548 E549	P541-A545 PolarHBondContact O-N 3.35Å; K542-A545 PolarHBondContact O-N 3.22Å; A545-M547 VanDerWaalsContact C-N 3.26Å; A545-M547 PolarHBondContact O-N 3.32Å; A545-M548 WeakPolarHBondContact O-CB 3.46Å; A545-M548 PolarHBondContact O-N 2.96Å; A545-E549 WeakPolarHBondContact O-CG 3.37Å; A545-E549 PolarHBondContact O-N 3.33Å
546	M	98.3	Very high	98.1	Very high	57 Å²	57	36.6 Å²	36.6	28%	0.281	19%	0.188	S	C	.	.	H	α-helix	trans	-62.1	-33.7	177.7	-64.8	-177.6	-77	0	0	112.9	K542 I543 E549 S550 L591 L595	K542-M546 WeakPolarHBondContact O-CE 3.49Å; K542-M546 PolarHBondContact O-N 3.47Å; K542-M546 VanDerWaalsContact O-N 3.1Å; I543-M546 HydrophobicContact CG1-CE 4.44Å; I543-M546 PolarHBondContact O-N 3.38Å; M546-E549 PolarHBondContact O-N 2.92Å; M546-S550 WeakPolarHBondContact O-CB 3.3Å; M546-S550 PolarHBondContact O-N 3.06Å; M546-S550 PolarHBondContact O-OG 3.43Å; M546-L591 HydrophobicContact CB-CD1 4.32Å; M546-L591 HydrophobicContact CB-CD2 3.79Å; M546-L591 HydrophobicContact CB-CG 4.49Å; M546-L591 HydrophobicContact CE-CB 4.24Å; M546-L591 WeakPolarHBondContact CE-O 3.48Å; M546-L595 HydrophobicContact CE-CD1 4.2Å; M546-L595 HydrophobicContact CE-CD2 4.2Å; M546-L595 HydrophobicContact CE-CG 4.43Å
547	M	97.8	Very high	98.1	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-68.7	-33.1	175.7	-174.8	-175	-75	0	0	112.4	I543 K544 A545 S550 G551 T553 V555 L584 I588 L591	I543-M547 HydrophobicContact CG2-CE 4.3Å; I543-M547 WeakPolarHBondContact O-CB 3.36Å; I543-M547 PolarHBondContact O-N 3.17Å; K544-M547 HydrophobicContact CD-SD 4.47Å; K544-M547 WeakPolarHBondContact O-CB 3.29Å; K544-M547 PolarHBondContact O-N 2.8Å; A545-M547 VanDerWaalsContact C-N 3.26Å; A545-M547 PolarHBondContact O-N 3.32Å; M547-S550 PolarHBondContact O-OG 2.97Å; M547-G551 PolarHBondContact O-N 3.22Å; M547-T553 HydrophobicContact CE-CG2 3.59Å; M547-T553 HydrophobicContact CG-CG2 3.67Å; M547-T553 WeakPolarHBondContact CG-O 3.34Å; M547-T553 HydrophobicContact SD-CG2 3.55Å; M547-T553 VanDerWaalsContact SD-CG2 3.55Å; M547-V555 HydrophobicContact CE-CG1 3.94Å; M547-V555 HydrophobicContact SD-CG1 3.91Å; M547-L584 HydrophobicContact CE-CD1 4.47Å; M547-I588 HydrophobicContact CE-CG1 3.94Å; M547-L591 HydrophobicContact CB-CD1 3.77Å; M547-L591 HydrophobicContact CE-CD1 4.44Å; M547-L591 HydrophobicContact CG-CD1 4.45Å
548	M	97.2	Very high	98.1	Very high	43 Å²	43	37.8 Å²	37.8	21%	0.212	19%	0.191	C	C	.	.	H	α-helix	trans	-73.3	-39.8	174.2	-71.6	176.8	58.5	0	0	111.7	F142 K544 A545 G551	F142-M548 HydrophobicContact CB-CB 4.42Å; F142-M548 VanDerWaalsContact CB-O 3.29Å; F142-M548 WeakPolarHBondContact CB-O 3.39Å; F142-M548 HydrophobicContact CD2-CE 3.33Å; F142-M548 HydrophobicContact CE2-CE 3.26Å; F142-M548 HydrophobicContact CG-CB 4.29Å; F142-M548 HydrophobicContact CG-CE 4.11Å; F142-M548 HydrophobicContact CZ-CE 3.99Å; K544-M548 HydrophobicContact CD-CG 4.04Å; K544-M548 HydrophobicContact CD-SD 4.16Å; K544-M548 HydrophobicContact CG-SD 4.18Å; K544-M548 WeakPolarHBondContact O-CG 3.49Å; K544-M548 PolarHBondContact O-N 3.49Å; A545-M548 WeakPolarHBondContact O-CB 3.46Å; A545-M548 PolarHBondContact O-N 2.96Å; M548-G551 PolarHBondContact O-N 3.18Å
549	E	96.3	Very high	98.1	Very high	129 Å²	129	34.9 Å²	34.9	60%	0.603	19%	0.185	S	C	*	.	H	α-helix	trans	-63.5	-43.7	174.8	-69.4	167.5	-173.1	0	0	111.8	A545 M546	A545-E549 WeakPolarHBondContact O-CG 3.37Å; A545-E549 PolarHBondContact O-N 3.33Å; M546-E549 PolarHBondContact O-N 2.92Å
550	S	96.8	Very high	98	Very high	36 Å²	36	35.5 Å²	35.5	25%	0.252	19%	0.188	S	C	.	.	H	α-helix	trans	-71.5	-32.1	177.1	74.3	0	0	0	0	112.6	M546 M547 T552	M546-S550 WeakPolarHBondContact O-CB 3.3Å; M546-S550 PolarHBondContact O-N 3.06Å; M546-S550 PolarHBondContact O-OG 3.43Å; M547-S550 PolarHBondContact O-OG 2.97Å; S550-T552 PolarHBondContact O-N 3Å; S550-T552 PolarHBondContact OG-N 3Å; S550-T552 PolarHBondContact OG-OG1 3.47Å; S550-T552 VanDerWaalsContact OG-OG1 3.05Å
551	G	97.7	Very high	97.7	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	68.4	17.8	-178.5	0	0	0	0	0	114	K138 V139 L140 M547 M548	K138-G551 CarbonylContact C-O 3.54Å; K138-G551 WeakPolarHBondContact CA-O 3.44Å; V139-G551 PolarHBondContact N-O 3.49Å; L140-G551 WeakPolarHBondContact O-CA 3.42Å; M547-G551 PolarHBondContact O-N 3.22Å; M548-G551 PolarHBondContact O-N 3.18Å
552	T	97.1	Very high	97.4	Very high	40 Å²	40	44 Å²	44	25%	0.245	25%	0.251	C	S	.	.	S	Bend	trans	-82.2	-31.1	-171.4	55.5	0	0	0	0	114.1	S550 F583 E587	S550-T552 PolarHBondContact O-N 3Å; S550-T552 PolarHBondContact OG-N 3Å; S550-T552 PolarHBondContact OG-OG1 3.47Å; S550-T552 VanDerWaalsContact OG-OG1 3.05Å; T552-F583 HydrophobicContact CG2-CZ 4.47Å; T552-E587 PolarHBondContact OG1-OE1 2.77Å
553	T	98.6	Very high	97.2	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	24%	0.241	C	C	.	.			trans	-157.4	170.8	179	-175.7	0	0	0	0	108.8	R187 M547 F583 L584 E587	R187-T553 WeakPolarHBondContact O-CA 3.38Å; R187-T553 PolarHBondContact O-OG1 3.29Å; M547-T553 HydrophobicContact CE-CG2 3.59Å; M547-T553 HydrophobicContact CG-CG2 3.67Å; M547-T553 WeakPolarHBondContact CG-O 3.34Å; M547-T553 HydrophobicContact SD-CG2 3.55Å; M547-T553 VanDerWaalsContact SD-CG2 3.55Å; T553-F583 HydrophobicContact CG2-CE1 4.4Å; T553-L584 HydrophobicContact CG2-CD1 3.94Å; T553-E587 HydrophobicContact CG2-CB 4.41Å; T553-E587 HydrophobicContact CG2-CG 3.96Å
554	M	98.6	Very high	97.2	Very high	14 Å²	14	43.1 Å²	43.1	7%	0.069	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	124.2	169.5	-69.1	-178.4	76.1	0	0	110.5	V139 L140 V181 R187 F188 F189 N190	V139-M554 HydrophobicContact CB-CG 4.38Å; V139-M554 HydrophobicContact CG1-CB 4.29Å; V139-M554 HydrophobicContact CG1-CG 3.7Å; V139-M554 HydrophobicContact CG1-SD 3.66Å; L140-M554 HydrophobicContact CB-SD 4.22Å; L140-M554 HydrophobicContact CD2-CE 4.45Å; L140-M554 HydrophobicContact CD2-SD 4.41Å; V181-M554 HydrophobicContact CG1-SD 3.93Å; R187-M554 PolarHBondContact O-N 3.2Å; R187-M554 VanDerWaalsContact O-N 3.13Å; F188-M554 HydrophobicContact CD2-CB 4.04Å; F188-M554 HydrophobicContact CD2-SD 4.03Å; F188-M554 HydrophobicContact CE2-CB 4.41Å; F188-M554 HydrophobicContact CE2-SD 4.01Å; F189-M554 CarbonylContact C-O 3.49Å; F189-M554 VanDerWaalsContact CA-O 3.27Å; F189-M554 WeakPolarHBondContact CA-O 3.34Å; F189-M554 WeakPolarHBondContact CB-O 3.48Å; F189-M554 PolarHBondContact N-O 2.92Å; N190-M554 HydrophobicContact CB-CB 4.07Å; N190-M554 PolarHBondContact N-O 2.97Å; N190-M554 VanDerWaalsContact N-O 3.08Å
555	V	98.3	Very high	97.2	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	145.5	172	62.4	0	0	0	0	110.5	K544 M547 F567 M569 L584 I588	K544-V555 WeakPolarHBondContact CD-O 3.42Å; K544-V555 PolarHBondContact NZ-O 3.26Å; M547-V555 HydrophobicContact CE-CG1 3.94Å; M547-V555 HydrophobicContact SD-CG1 3.91Å; V555-F567 HydrophobicContact CG1-CD1 3.64Å; V555-F567 HydrophobicContact CG1-CE1 3.89Å; V555-F567 HydrophobicContact CG2-CD1 4.45Å; V555-M569 HydrophobicContact CG2-CB 4.24Å; V555-M569 HydrophobicContact CG2-SD 4.3Å; V555-L584 HydrophobicContact CB-CD1 4.29Å; V555-L584 HydrophobicContact CG1-CD1 4.21Å; V555-I588 HydrophobicContact CG1-CD1 4.4Å
556	S	97.6	Very high	97.3	Very high	13 Å²	13	40.5 Å²	40.5	9%	0.091	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	152.1	177.8	51.3	0	0	0	0	112.3	N190 F567 R568	N190-S556 WeakPolarHBondContact O-CB 3.28Å; N190-S556 PolarHBondContact O-OG 3.44Å; S556-F567 WeakPolarHBondContact O-CA 3.43Å; S556-R568 PolarHBondContact O-N 3.46Å; S556-R568 PolarHBondContact OG-NE 3.1Å; S556-R568 PolarHBondContact OG-NH2 3.37Å; S556-R568 PolarHBondContact OG-O 3.35Å
557	Y	98.6	Very high	97.3	Very high	83 Å²	83	37.9 Å²	37.9	33%	0.325	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	156.5	166.4	73.2	-94.5	0	0	0	110.1	A540 P541 K544 N565 F566	A540-Y557 HydrophobicContact CB-CD1 4.5Å; A540-Y557 HydrophobicContact CB-CD2 4.29Å; A540-Y557 HydrophobicContact CB-CG 3.93Å; P541-Y557 HydrophobicContact CB-CE1 4.33Å; P541-Y557 HydrophobicContact CB-CE2 4.2Å; P541-Y557 HydrophobicContact CG-CD2 4.28Å; P541-Y557 HydrophobicContact CG-CE1 4.49Å; P541-Y557 HydrophobicContact CG-CE2 3.6Å; K544-Y557 HydrophobicContact CB-CD1 3.69Å; K544-Y557 HydrophobicContact CB-CE1 3.6Å; K544-Y557 HydrophobicContact CG-CD1 3.97Å; K544-Y557 HydrophobicContact CG-CE1 3.75Å; Y557-N565 HydrophobicContact CD2-CB 3.93Å; Y557-N565 HydrophobicContact CE2-CB 4.48Å; Y557-F566 CarbonylContact C-O 3.53Å; Y557-F566 WeakPolarHBondContact CA-O 3.42Å; Y557-F566 VanDerWaalsContact CB-O 3.26Å; Y557-F566 WeakPolarHBondContact CB-O 3.41Å
558	Q	98.6	Very high	97.3	Very high	33 Å²	33	38.6 Å²	38.6	15%	0.154	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-165.6	160.5	176.3	66.9	-77.5	-5.7	0	0	110.7	V350 N565 F566	V350-Q558 HydrophobicContact CG2-CG 4.32Å; Q558-N565 WeakPolarHBondContact O-CA 3.42Å; Q558-F566 PolarHBondContact N-O 2.85Å; Q558-F566 WeakPolarHBondContact O-CD1 3.43Å; Q558-F566 PolarHBondContact O-N 3.4Å
559	P	98.1	Very high	97.3	Very high	71 Å²	71	36.6 Å²	36.6	46%	0.461	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	166.9	165.6	35.6	-29.9	0	0	0	110.9	K563 N565	P559-K563 WeakPolarHBondContact CA-O 3.25Å; P559-K563 WeakPolarHBondContact CB-O 3.44Å; P559-N565 WeakPolarHBondContact CD-OD1 3.22Å
560	Q	96.4	Very high	97.4	Very high	20 Å²	20	30.4 Å²	30.4	9%	0.093	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.9	117	172.8	-173.4	169.3	-15	0	0	111.9	H290 V350 Y351 D562 K563 F566	H290-Q560 PolarHBondContact CD2-NE2 3.18Å; H290-Q560 PolarHBondContact CE1-NE2 3.29Å; H290-Q560 PolarHBondContact ND1-NE2 3.35Å; H290-Q560 PolarHBondContact NE2-NE2 3.4Å; V350-Q560 VanDerWaalsContact CB-OE1 3.3Å; Y351-Q560 VanDerWaalsContact CE1-OE1 3.27Å; Q560-D562 PolarHBondContact O-N 3.16Å; Q560-K563 PolarHBondContact N-O 2.98Å; Q560-K563 VanDerWaalsContact O-CB 3.27Å; Q560-K563 WeakPolarHBondContact O-CB 3.15Å; Q560-K563 PolarHBondContact O-N 2.92Å; Q560-F566 HydrophobicContact CB-CE1 3.78Å; Q560-F566 HydrophobicContact CB-CZ 3.8Å
561	G	92.5	Very high	97.5	Very high	83 Å²	83	28.7 Å²	28.7	86%	0.856	17%	0.169	S	C	*	.	T	Hydrogen-bonded Turn	trans	60.1	-122.1	-175.5	0	0	0	0	0	111.2	K563	G561-K563 VanDerWaalsContact C-N 3.31Å
562	D	92.3	Very high	97.6	Very high	131 Å²	131	28.7 Å²	28.7	70%	0.701	17%	0.169	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.5	-7.5	176.1	63.7	-21.6	0	0	0	114	Q560	Q560-D562 PolarHBondContact O-N 3.16Å
563	K	96	Very high	97.6	Very high	63 Å²	63	26.9 Å²	26.9	27%	0.274	16%	0.157	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	122.8	-176.2	-61.7	176.9	-172.7	55	0	110.3	Y351 V504 W517 P559 Q560 G561 F566	Y351-K563 WeakPolarHBondContact OH-CD 3.46Å; V504-K563 HydrophobicContact CG1-CD 3.67Å; W517-K563 HydrophobicContact CH2-CB 4.27Å; W517-K563 HydrophobicContact CH2-CD 4.21Å; W517-K563 HydrophobicContact CH2-CG 4.19Å; W517-K563 HydrophobicContact CZ2-CB 3.89Å; W517-K563 HydrophobicContact CZ2-CG 4.3Å; P559-K563 WeakPolarHBondContact CA-O 3.25Å; P559-K563 WeakPolarHBondContact CB-O 3.44Å; Q560-K563 PolarHBondContact N-O 2.98Å; Q560-K563 VanDerWaalsContact O-CB 3.27Å; Q560-K563 WeakPolarHBondContact O-CB 3.15Å; Q560-K563 PolarHBondContact O-N 2.92Å; G561-K563 VanDerWaalsContact C-N 3.31Å; K563-F566 HydrophobicContact CB-CD1 4.28Å; K563-F566 HydrophobicContact CB-CE1 4.08Å
564	V	98.1	Very high	97.6	Very high	25 Å²	25	29 Å²	29	15%	0.152	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.1	168.1	175	-61.2	0	0	0	0	111.5	W517 R533 L536 H537 F566	W517-V564 PolarHBondContact NE1-O 2.96Å; W517-V564 VanDerWaalsContact NE1-O 3.14Å; R533-V564 HydrophobicContact CB-CG1 4.02Å; L536-V564 HydrophobicContact CB-CG2 4.23Å; L536-V564 HydrophobicContact CD2-CG2 4.07Å; L536-V564 HydrophobicContact CG-CG2 4.03Å; H537-V564 HydrophobicContact CB-CB 3.81Å; H537-V564 HydrophobicContact CB-CG1 4.05Å; H537-V564 HydrophobicContact CB-CG2 4.49Å; V564-F566 VanDerWaalsContact O-CD1 3.32Å; V564-F566 WeakPolarHBondContact O-CD1 3.46Å; V564-F566 PolarHBondContact O-N 3.17Å; V564-F566 VanDerWaalsContact O-N 3.14Å
565	N	98.8	Very high	97.6	Very high	10 Å²	10	29.4 Å²	29.4	5%	0.053	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-45.6	120.7	-176.5	-69.5	-34.7	0	0	0	113	W517 H537 A540 P541 Y557 Q558 P559	W517-N565 PolarHBondContact NE1-O 3.33Å; W517-N565 VanDerWaalsContact NE1-O 3.16Å; H537-N565 PolarHBondContact CD2-ND2 3.37Å; H537-N565 VanDerWaalsContact CE1-CG 3.5Å; H537-N565 PolarHBondContact CE1-ND2 3.47Å; H537-N565 PolarHBondContact ND1-N 3.3Å; H537-N565 PolarHBondContact NE2-ND2 2.92Å; H537-N565 WeakPolarHBondContact O-CB 3.32Å; H537-N565 PolarHBondContact O-ND2 2.92Å; A540-N565 HydrophobicContact CB-CB 4.23Å; P541-N565 WeakPolarHBondContact CG-ND2 3.16Å; Y557-N565 HydrophobicContact CD2-CB 3.93Å; Y557-N565 HydrophobicContact CE2-CB 4.48Å; Q558-N565 WeakPolarHBondContact O-CA 3.42Å; P559-N565 WeakPolarHBondContact CD-OD1 3.22Å
566	F	98.8	Very high	97.6	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	158.5	172.1	53	-95.1	0	0	0	110	V350 Y351 V504 C515 W517 Y557 Q558 Q560 K563 V564	V350-F566 HydrophobicContact CG1-CE2 3.6Å; V350-F566 HydrophobicContact CG1-CZ 3.7Å; Y351-F566 HydrophobicContact CE1-CE2 4.27Å; Y351-F566 AromaticContact CE1-CZ 3.9Å; Y351-F566 HydrophobicContact CE1-CZ 3.9Å; V504-F566 HydrophobicContact CG1-CD1 4.11Å; V504-F566 HydrophobicContact CG1-CD2 4.47Å; V504-F566 HydrophobicContact CG1-CE1 4.06Å; V504-F566 HydrophobicContact CG1-CE2 4.39Å; V504-F566 HydrophobicContact CG1-CG 4.34Å; V504-F566 HydrophobicContact CG1-CZ 4.2Å; V504-F566 HydrophobicContact CG2-CB 3.51Å; V504-F566 HydrophobicContact CG2-CD1 3.94Å; V504-F566 HydrophobicContact CG2-CD2 3.71Å; V504-F566 HydrophobicContact CG2-CE2 4.37Å; V504-F566 HydrophobicContact CG2-CG 3.46Å; V504-F566 VanDerWaalsContact CG2-CG 3.46Å; C515-F566 HydrophobicContact CB-CD2 4.01Å; C515-F566 HydrophobicContact CB-CE2 3.97Å; W517-F566 HydrophobicContact CD2-CB 4.15Å; W517-F566 HydrophobicContact CG-CB 4.09Å; W517-F566 HydrophobicContact CZ2-CB 4.43Å; W517-F566 HydrophobicContact CZ2-CD1 4.16Å; Y557-F566 CarbonylContact C-O 3.53Å; Y557-F566 WeakPolarHBondContact CA-O 3.42Å; Y557-F566 VanDerWaalsContact CB-O 3.26Å; Y557-F566 WeakPolarHBondContact CB-O 3.41Å; Q558-F566 PolarHBondContact N-O 2.85Å; Q558-F566 WeakPolarHBondContact O-CD1 3.43Å; Q558-F566 PolarHBondContact O-N 3.4Å; Q560-F566 HydrophobicContact CB-CE1 3.78Å; Q560-F566 HydrophobicContact CB-CZ 3.8Å; K563-F566 HydrophobicContact CB-CD1 4.28Å; K563-F566 HydrophobicContact CB-CE1 4.08Å; V564-F566 VanDerWaalsContact O-CD1 3.32Å; V564-F566 WeakPolarHBondContact O-CD1 3.46Å; V564-F566 PolarHBondContact O-N 3.17Å; V564-F566 VanDerWaalsContact O-N 3.14Å
567	F	98.8	Very high	97.7	Very high	1 Å²	1	31 Å²	31	0%	0.004	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	139	171.7	-69.4	-72.6	0	0	0	110.7	C515 F516 A540 I543 V555 S556 I588	C515-F567 VanDerWaalsContact CA-O 3.31Å; C515-F567 WeakPolarHBondContact CA-O 3.25Å; F516-F567 HydrophobicContact CD2-CB 4.3Å; F516-F567 HydrophobicContact CD2-CD2 4.39Å; F516-F567 HydrophobicContact CE1-CB 4.13Å; F516-F567 HydrophobicContact CE2-CB 3.9Å; F516-F567 AromaticContact CE2-CD2 3.89Å; F516-F567 HydrophobicContact CE2-CD2 3.89Å; F516-F567 HydrophobicContact CE2-CG 4.2Å; F516-F567 HydrophobicContact CZ-CB 3.81Å; F516-F567 HydrophobicContact CZ-CD2 4.49Å; F516-F567 HydrophobicContact CZ-CG 4.36Å; F516-F567 PolarHBondContact N-O 2.95Å; F516-F567 PolarHBondContact O-N 2.93Å; A540-F567 HydrophobicContact CB-CD2 4.28Å; A540-F567 HydrophobicContact CB-CE1 4.11Å; A540-F567 HydrophobicContact CB-CE2 3.85Å; A540-F567 HydrophobicContact CB-CZ 3.76Å; I543-F567 HydrophobicContact CB-CZ 3.87Å; I543-F567 HydrophobicContact CD1-CE2 4.23Å; I543-F567 HydrophobicContact CD1-CZ 4.29Å; I543-F567 HydrophobicContact CG2-CE1 4.48Å; I543-F567 HydrophobicContact CG2-CZ 3.72Å; V555-F567 HydrophobicContact CG1-CD1 3.64Å; V555-F567 HydrophobicContact CG1-CE1 3.89Å; V555-F567 HydrophobicContact CG2-CD1 4.45Å; S556-F567 WeakPolarHBondContact O-CA 3.43Å; F567-I588 HydrophobicContact CE2-CG2 4.33Å
568	R	98.4	Very high	97.7	Very high	16 Å²	16	34.1 Å²	34.1	6%	0.06	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	103.4	166.7	178.2	-150.9	68.6	179.1	-6.9	108.6	N190 T349 V350 S556 V570	N190-R568 PolarHBondContact O-NH2 3.17Å; T349-R568 VanDerWaalsContact CG2-NH1 3.34Å; T349-R568 VanDerWaalsContact O-CD 3.3Å; T349-R568 WeakPolarHBondContact O-CD 3.3Å; T349-R568 PolarHBondContact O-NH1 2.91Å; V350-R568 WeakPolarHBondContact O-CD 3.4Å; V350-R568 WeakPolarHBondContact O-CG 3.45Å; S556-R568 PolarHBondContact O-N 3.46Å; S556-R568 PolarHBondContact OG-NE 3.1Å; S556-R568 PolarHBondContact OG-NH2 3.37Å; S556-R568 PolarHBondContact OG-O 3.35Å; R568-V570 HydrophobicContact CG-CG1 4.07Å
569	M	97.8	Very high	97.7	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	133.9	174.6	178.5	39.1	-142.3	0	0	110	F189 L491 N513 V514 F516 V555 I571 I581 L584	F189-M569 HydrophobicContact CB-CE 3.77Å; F189-M569 HydrophobicContact CB-SD 3.27Å; F189-M569 WeakPolarHBondContact CB-SD 3.02Å; F189-M569 HydrophobicContact CD1-CE 3.36Å; F189-M569 HydrophobicContact CD1-SD 4.01Å; F189-M569 HydrophobicContact CD2-CE 4.22Å; F189-M569 HydrophobicContact CD2-SD 3.98Å; F189-M569 HydrophobicContact CE1-CE 3.87Å; F189-M569 HydrophobicContact CG-CE 3.53Å; F189-M569 HydrophobicContact CG-SD 3.51Å; F189-M569 VanDerWaalsContact CG-SD 3.51Å; F189-M569 HydrophobicContact CZ-CE 4.48Å; L491-M569 HydrophobicContact CD2-CB 3.84Å; L491-M569 HydrophobicContact CD2-CG 3.2Å; N513-M569 CarbonylContact C-O 3.48Å; N513-M569 VanDerWaalsContact CA-O 3.25Å; N513-M569 WeakPolarHBondContact CA-O 3.33Å; V514-M569 HydrophobicContact CB-CB 4.39Å; V514-M569 PolarHBondContact N-O 3.15Å; V514-M569 PolarHBondContact O-N 2.89Å; F516-M569 HydrophobicContact CE1-CB 3.96Å; V555-M569 HydrophobicContact CG2-CB 4.24Å; V555-M569 HydrophobicContact CG2-SD 4.3Å; M569-I571 HydrophobicContact CE-CB 4.3Å; M569-I571 HydrophobicContact CE-CD1 3.97Å; M569-I571 HydrophobicContact CE-CG1 3.14Å; M569-I581 HydrophobicContact CE-CD1 4.44Å; M569-L584 HydrophobicContact CG-CD2 3.88Å; M569-L584 HydrophobicContact SD-CD2 3.64Å
570	V	98.2	Very high	97.7	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	19%	0.189	C	C	.	.			trans	-136.6	134.4	-178.2	-67.3	0	0	0	0	110.9	F189 Q191 L192 T512 N513 R568	F189-V570 WeakPolarHBondContact O-CG2 3.4Å; Q191-V570 WeakPolarHBondContact O-CG2 3.31Å; L192-V570 HydrophobicContact CD2-CB 4.27Å; L192-V570 HydrophobicContact CD2-CG1 3.81Å; L192-V570 HydrophobicContact CD2-CG2 4.47Å; T512-V570 WeakPolarHBondContact O-CA 3.23Å; N513-V570 HydrophobicContact CB-CG1 4.48Å; N513-V570 WeakPolarHBondContact ND2-CG1 3.49Å; R568-V570 HydrophobicContact CG-CG1 4.07Å
571	I	98.7	Very high	97.8	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	19%	0.185	C	C	.	.			trans	-117.3	111.8	-178.9	-49.1	175.2	0	0	0	109.1	C484 L487 T512 M569 A576 I581	C484-I571 HydrophobicContact CB-CB 4.36Å; C484-I571 HydrophobicContact CB-CG2 3.89Å; L487-I571 HydrophobicContact CB-CD1 3.54Å; L487-I571 HydrophobicContact CB-CG2 4.43Å; L487-I571 HydrophobicContact CD1-CG2 4.22Å; T512-I571 VanDerWaalsContact CB-O 3.26Å; T512-I571 WeakPolarHBondContact CB-O 3.47Å; T512-I571 HydrophobicContact CG2-CB 4.42Å; T512-I571 VanDerWaalsContact CG2-O 3.28Å; T512-I571 WeakPolarHBondContact CG2-O 3.39Å; T512-I571 PolarHBondContact OG1-N 3.48Å; T512-I571 PolarHBondContact OG1-O 3.46Å; M569-I571 HydrophobicContact CE-CB 4.3Å; M569-I571 HydrophobicContact CE-CD1 3.97Å; M569-I571 HydrophobicContact CE-CG1 3.14Å; I571-A576 HydrophobicContact CG2-CB 4.43Å; I571-I581 HydrophobicContact CD1-CD1 3.8Å; I571-I581 HydrophobicContact CG1-CD1 4.46Å
572	S	98.6	Very high	98.1	Very high	0 Å²	0	29 Å²	29	0%	0	15%	0.153	C	C	.	.			trans	-130.3	-12.3	167	48.8	0	0	0	0	113.3	L192 T194 H480 P574	L192-S572 WeakPolarHBondContact O-CB 3.41Å; L192-S572 PolarHBondContact O-OG 2.93Å; T194-S572 PolarHBondContact N-OG 3.25Å; T194-S572 PolarHBondContact OG1-OG 3.04Å; H480-S572 PolarHBondContact NE2-O 3.33Å; S572-P574 WeakPolarHBondContact O-CD 3.4Å
573	N	98.6	Very high	98.4	Very high	1 Å²	1	25 Å²	25	1%	0.005	13%	0.129	C	C	.	.			trans	-76.2	119	-179.5	-168.9	-12.5	0	0	0	110.8	G184 H185 T194 G195 A575 A576	G184-N573 PolarHBondContact O-ND2 3.32Å; H185-N573 PolarHBondContact O-ND2 3.36Å; T194-N573 WeakPolarHBondContact OG1-CB 3.29Å; T194-N573 PolarHBondContact OG1-N 2.77Å; G195-N573 VanDerWaalsContact CA-CG 3.43Å; G195-N573 WeakPolarHBondContact CA-OD1 3.24Å; N573-A575 PolarHBondContact O-N 3.47Å; N573-A575 VanDerWaalsContact OD1-CB 3.23Å; N573-A575 WeakPolarHBondContact OD1-CB 3.45Å; N573-A575 PolarHBondContact OD1-N 3.35Å; N573-A576 WeakPolarHBondContact O-CB 3.42Å; N573-A576 PolarHBondContact O-N 3.17Å
574	P	97.6	Very high	98.5	Very high	45 Å²	45	22 Å²	22	29%	0.292	12%	0.116	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-18.1	175.6	27.8	-34	0	0	0	113	K483 S572 A576	K483-P574 PolarHBondContact NZ-O 3.45Å; S572-P574 WeakPolarHBondContact O-CD 3.4Å; P574-A576 VanDerWaalsContact C-N 3.32Å
575	A	98.6	Very high	98.6	Very high	23 Å²	23	20.8 Å²	20.8	19%	0.19	11%	0.109	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.4	-16.4	177.9	0	0	0	0	0	113.8	F133 R135 P186 N573	F133-A575 HydrophobicContact CD1-CB 4.02Å; F133-A575 HydrophobicContact CE1-CB 4.16Å; R135-A575 PolarHBondContact NH2-O 3.26Å; P186-A575 HydrophobicContact CB-CB 4.45Å; P186-A575 HydrophobicContact CG-CB 4.08Å; N573-A575 PolarHBondContact O-N 3.47Å; N573-A575 VanDerWaalsContact OD1-CB 3.23Å; N573-A575 WeakPolarHBondContact OD1-CB 3.45Å; N573-A575 PolarHBondContact OD1-N 3.35Å
576	A	98.8	Very high	98.5	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	13%	0.13	C	C	.	.			trans	-65.2	142.2	176.5	0	0	0	0	0	111.2	F189 K483 L487 I571 N573 P574	F189-A576 HydrophobicContact CE1-CB 4.04Å; K483-A576 WeakPolarHBondContact CE-O 3.32Å; K483-A576 PolarHBondContact NZ-O 3.09Å; K483-A576 VanDerWaalsContact NZ-O 3.15Å; L487-A576 HydrophobicContact CD1-CB 4.14Å; L487-A576 WeakPolarHBondContact CD1-O 3.4Å; I571-A576 HydrophobicContact CG2-CB 4.43Å; N573-A576 WeakPolarHBondContact O-CB 3.42Å; N573-A576 PolarHBondContact O-N 3.17Å; P574-A576 VanDerWaalsContact C-N 3.32Å
577	T	98.8	Very high	98.5	Very high	45 Å²	45	25.9 Å²	25.9	28%	0.276	13%	0.132	S	C	.	.			trans	-129.2	170	177.5	57.5	0	0	0	0	110.7	R135 S579 D580 I581	R135-T577 PolarHBondContact NH2-OG1 3.03Å; T577-S579 PolarHBondContact O-N 3.22Å; T577-S579 PolarHBondContact OG1-OG 3.02Å; T577-D580 PolarHBondContact N-OD2 2.9Å; T577-D580 WeakPolarHBondContact O-CB 3.46Å; T577-D580 PolarHBondContact O-N 2.91Å; T577-D580 PolarHBondContact OG1-OD2 2.83Å; T577-I581 PolarHBondContact O-N 2.73Å
578	R	98.7	Very high	98.5	Very high	150 Å²	150	25.8 Å²	25.8	57%	0.566	13%	0.132	S	C	*	.	H	α-helix	trans	-55.7	-40.5	174.8	-70.4	-173.7	179.9	-179.5	-1	112.3	L487 Y490 D580 I581 D582	L487-R578 HydrophobicContact CD2-CB 4.45Å; L487-R578 HydrophobicContact CD2-CG 3.69Å; Y490-R578 HydrophobicContact CD1-CB 4.19Å; Y490-R578 HydrophobicContact CD1-CG 3.89Å; Y490-R578 HydrophobicContact CD2-CG 4.45Å; Y490-R578 HydrophobicContact CE1-CB 3.85Å; Y490-R578 HydrophobicContact CE1-CG 3.99Å; Y490-R578 HydrophobicContact CG-CG 4.13Å; R578-D580 PolarHBondContact O-N 3.32Å; R578-I581 CarbonylContact O-C 3.44Å; R578-I581 WeakPolarHBondContact O-CA 3.46Å; R578-I581 VanDerWaalsContact O-CB 3.29Å; R578-I581 WeakPolarHBondContact O-CB 3.38Å; R578-I581 PolarHBondContact O-N 2.79Å; R578-D582 PolarHBondContact O-N 3.13Å
579	S	98.8	Very high	98.5	Very high	65 Å²	65	26.9 Å²	26.9	46%	0.455	14%	0.138	S	C	.	.	H	α-helix	trans	-61.8	-27.1	175.8	53.5	0	0	0	0	114.2	T577 F583	T577-S579 PolarHBondContact O-N 3.22Å; T577-S579 PolarHBondContact OG1-OG 3.02Å; S579-F583 WeakPolarHBondContact O-CB 3.41Å; S579-F583 PolarHBondContact O-N 3.02Å
580	D	98.8	Very high	98.5	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-75.3	-33.4	172.7	-61.5	-48.3	0	0	0	111.9	R135 P186 R187 F189 T577 R578 L584	R135-D580 WeakPolarHBondContact CD-OD1 3.41Å; R135-D580 IonicContact CZ-OD1 2.77Å; R135-D580 IonicContact CZ-OD2 3.83Å; R135-D580 IonicContact NE-OD1 3.48Å; R135-D580 PolarHBondContact NE-OD1 3.47Å; R135-D580 IonicContact NE-OD2 3.64Å; R135-D580 PolarHBondContact NE-OD2 3.1Å; R135-D580 IonicContact NH2-OD1 3.98Å; R135-D580 IonicContact NH2-OD2 3.59Å; R135-D580 PolarHBondContact NH2-OD2 3.2Å; P186-D580 WeakPolarHBondContact CB-OD2 3.47Å; R187-D580 HydrophobicContact CG-CB 4.14Å; R187-D580 IonicContact NE-OD1 3.69Å; R187-D580 PolarHBondContact NE-OD1 3.01Å; F189-D580 HydrophobicContact CZ-CB 4.14Å; T577-D580 PolarHBondContact N-OD2 2.9Å; T577-D580 WeakPolarHBondContact O-CB 3.46Å; T577-D580 PolarHBondContact O-N 2.91Å; T577-D580 PolarHBondContact OG1-OD2 2.83Å; R578-D580 PolarHBondContact O-N 3.32Å; D580-L584 WeakPolarHBondContact O-CB 3.49Å; D580-L584 PolarHBondContact O-N 2.77Å
581	I	98.8	Very high	98.5	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-66.8	-43	172.3	-53.8	-52	0	0	0	110	F189 L487 Y490 L491 M569 I571 T577 R578 L584 V585	F189-I581 HydrophobicContact CZ-CD1 4.28Å; L487-I581 HydrophobicContact CD2-CG1 4.41Å; Y490-I581 HydrophobicContact CD1-CB 4.18Å; Y490-I581 HydrophobicContact CD1-CG2 4.02Å; Y490-I581 HydrophobicContact CE1-CB 4.27Å; Y490-I581 HydrophobicContact CE1-CG2 4.26Å; L491-I581 HydrophobicContact CB-CG2 3.6Å; L491-I581 HydrophobicContact CD1-CG2 3.66Å; L491-I581 HydrophobicContact CG-CG2 4.1Å; M569-I581 HydrophobicContact CE-CD1 4.44Å; I571-I581 HydrophobicContact CD1-CD1 3.8Å; I571-I581 HydrophobicContact CG1-CD1 4.46Å; T577-I581 PolarHBondContact O-N 2.73Å; R578-I581 CarbonylContact O-C 3.44Å; R578-I581 WeakPolarHBondContact O-CA 3.46Å; R578-I581 VanDerWaalsContact O-CB 3.29Å; R578-I581 WeakPolarHBondContact O-CB 3.38Å; R578-I581 PolarHBondContact O-N 2.79Å; I581-L584 PolarHBondContact O-N 3.32Å; I581-V585 WeakPolarHBondContact O-CG2 3.31Å; I581-V585 PolarHBondContact O-N 3.28Å; I581-V585 VanDerWaalsContact O-N 3.13Å
582	D	98.6	Very high	98.4	Very high	34 Å²	34	34.6 Å²	34.6	18%	0.182	17%	0.168	C	C	.	.	H	α-helix	trans	-59.2	-51.2	175.7	-60.9	-28.9	0	0	0	110.8	Y490 K494 R578 L584 V585 E586	Y490-D582 WeakPolarHBondContact CE1-OD1 3.42Å; Y490-D582 PolarHBondContact OH-OD1 3.09Å; K494-D582 WeakPolarHBondContact CD-OD1 3.42Å; K494-D582 VanDerWaalsContact CE-OD1 3.22Å; K494-D582 WeakPolarHBondContact CE-OD1 3.33Å; K494-D582 IonicContact NZ-OD1 2.73Å; K494-D582 PolarHBondContact NZ-OD1 3.2Å; R578-D582 PolarHBondContact O-N 3.13Å; D582-L584 VanDerWaalsContact C-N 3.31Å; D582-L584 PolarHBondContact O-N 3.03Å; D582-V585 PolarHBondContact O-N 3.25Å; D582-E586 WeakPolarHBondContact O-CG 3.48Å; D582-E586 PolarHBondContact O-N 2.96Å
583	F	98.8	Very high	98.3	Very high	46 Å²	46	40 Å²	40	20%	0.202	19%	0.193	C	C	.	.	H	α-helix	trans	-56.5	-43	176.4	-179.5	-91.1	0	0	0	112.5	R187 T552 T553 S579 V585 E586 E587	R187-F583 HydrophobicContact CG-CD1 4.43Å; T552-F583 HydrophobicContact CG2-CZ 4.47Å; T553-F583 HydrophobicContact CG2-CE1 4.4Å; S579-F583 WeakPolarHBondContact O-CB 3.41Å; S579-F583 PolarHBondContact O-N 3.02Å; F583-V585 PolarHBondContact O-N 3.38Å; F583-E586 PolarHBondContact O-N 3.33Å; F583-E587 HydrophobicContact CE1-CB 4.19Å; F583-E587 HydrophobicContact CE1-CG 4.34Å; F583-E587 HydrophobicContact CZ-CB 4.49Å; F583-E587 WeakPolarHBondContact O-CB 3.37Å; F583-E587 PolarHBondContact O-N 3.29Å
584	L	98.6	Very high	98	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-60.9	-45.5	178.8	176.8	71	0	0	0	111.8	F189 M547 T553 V555 M569 D580 I581 D582 E587 I588	F189-L584 HydrophobicContact CD2-CD1 4.24Å; F189-L584 HydrophobicContact CD2-CD2 4.02Å; F189-L584 HydrophobicContact CE2-CB 4.35Å; F189-L584 HydrophobicContact CE2-CD2 4.23Å; M547-L584 HydrophobicContact CE-CD1 4.47Å; T553-L584 HydrophobicContact CG2-CD1 3.94Å; V555-L584 HydrophobicContact CB-CD1 4.29Å; V555-L584 HydrophobicContact CG1-CD1 4.21Å; M569-L584 HydrophobicContact CG-CD2 3.88Å; M569-L584 HydrophobicContact SD-CD2 3.64Å; D580-L584 WeakPolarHBondContact O-CB 3.49Å; D580-L584 PolarHBondContact O-N 2.77Å; I581-L584 PolarHBondContact O-N 3.32Å; D582-L584 VanDerWaalsContact C-N 3.31Å; D582-L584 PolarHBondContact O-N 3.03Å; L584-E587 PolarHBondContact O-N 3.02Å; L584-I588 HydrophobicContact CD1-CD1 4.13Å; L584-I588 HydrophobicContact CD1-CG1 4.49Å; L584-I588 HydrophobicContact CG-CD1 4.1Å; L584-I588 VanDerWaalsContact O-CG1 3.32Å; L584-I588 WeakPolarHBondContact O-CG1 3.09Å; L584-I588 PolarHBondContact O-N 3.29Å
585	V	98.5	Very high	97.8	Very high	1 Å²	1	49.2 Å²	49.2	1%	0.006	23%	0.234	C	C	.	.	H	α-helix	trans	-63.6	-47.8	179.8	173.1	0	0	0	0	110.1	L491 K494 I495 F501 I581 D582 F583 E587 I588 E589	L491-V585 HydrophobicContact CD1-CG2 3.67Å; K494-V585 HydrophobicContact CD-CG2 4.31Å; I495-V585 HydrophobicContact CG2-CG1 4.27Å; I495-V585 HydrophobicContact CG2-CG2 3.77Å; F501-V585 HydrophobicContact CE1-CG1 4.48Å; F501-V585 HydrophobicContact CE2-CG1 4Å; F501-V585 HydrophobicContact CZ-CG1 3.75Å; I581-V585 WeakPolarHBondContact O-CG2 3.31Å; I581-V585 PolarHBondContact O-N 3.28Å; I581-V585 VanDerWaalsContact O-N 3.13Å; D582-V585 PolarHBondContact O-N 3.25Å; F583-V585 PolarHBondContact O-N 3.38Å; V585-E587 VanDerWaalsContact C-N 3.33Å; V585-E587 PolarHBondContact O-N 3Å; V585-I588 PolarHBondContact O-N 3.13Å; V585-E589 WeakPolarHBondContact O-CG 3.18Å; V585-E589 PolarHBondContact O-N 2.86Å
586	E	98.4	Very high	97.7	Very high	107 Å²	107	50.6 Å²	50.6	50%	0.5	24%	0.236	S	C	.	.	H	α-helix	trans	-62.2	-39.4	178	-70.3	165.6	-168	0	0	112.1	D582 F583 E589 R590	D582-E586 WeakPolarHBondContact O-CG 3.48Å; D582-E586 PolarHBondContact O-N 2.96Å; F583-E586 PolarHBondContact O-N 3.33Å; E586-E589 PolarHBondContact O-N 3.47Å; E586-R590 WeakPolarHBondContact O-CB 3.23Å; E586-R590 PolarHBondContact O-N 2.83Å
587	E	98.5	Very high	97.7	Very high	9 Å²	9	53.2 Å²	53.2	4%	0.042	25%	0.248	C	C	.	.	H	α-helix	trans	-70.1	-38.8	179.4	-174.4	68.9	165.5	0	0	111.9	T552 T553 F583 L584 V585 E589 R590 L591	T552-E587 PolarHBondContact OG1-OE1 2.77Å; T553-E587 HydrophobicContact CG2-CB 4.41Å; T553-E587 HydrophobicContact CG2-CG 3.96Å; F583-E587 HydrophobicContact CE1-CB 4.19Å; F583-E587 HydrophobicContact CE1-CG 4.34Å; F583-E587 HydrophobicContact CZ-CB 4.49Å; F583-E587 WeakPolarHBondContact O-CB 3.37Å; F583-E587 PolarHBondContact O-N 3.29Å; L584-E587 PolarHBondContact O-N 3.02Å; V585-E587 VanDerWaalsContact C-N 3.33Å; V585-E587 PolarHBondContact O-N 3Å; E587-E589 VanDerWaalsContact C-N 3.33Å; E587-R590 VanDerWaalsContact CD-NH2 3.27Å; E587-R590 PolarHBondContact O-N 2.97Å; E587-R590 IonicContact OE1-CZ 3.95Å; E587-R590 IonicContact OE1-NE 3.95Å; E587-R590 IonicContact OE1-NH2 3.4Å; E587-R590 PolarHBondContact OE1-NH2 2.96Å; E587-R590 IonicContact OE2-CZ 3.08Å; E587-R590 IonicContact OE2-NE 3.42Å; E587-R590 PolarHBondContact OE2-NE 3.41Å; E587-R590 IonicContact OE2-NH2 2.76Å; E587-R590 PolarHBondContact OE2-NH2 3.04Å; E587-R590 VanDerWaalsContact OE2-NH2 3.12Å; E587-L591 HydrophobicContact CG-CD1 4Å; E587-L591 HydrophobicContact CG-CG 4.39Å; E587-L591 VanDerWaalsContact O-CB 3.3Å; E587-L591 WeakPolarHBondContact O-CB 3.38Å; E587-L591 WeakPolarHBondContact O-CG 3.46Å; E587-L591 PolarHBondContact O-N 3.26Å
588	I	98.6	Very high	97.6	Very high	0 Å²	0	53.7 Å²	53.7	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-62.4	-42.5	172.8	-71.5	170.5	0	0	0	110.5	F501 F516 Y518 I543 M547 V555 F567 L584 V585 G592	F501-I588 HydrophobicContact CE1-CG2 4.14Å; F501-I588 HydrophobicContact CZ-CG2 4.21Å; F516-I588 HydrophobicContact CE2-CD1 3.95Å; F516-I588 HydrophobicContact CZ-CD1 3.76Å; Y518-I588 HydrophobicContact CD2-CG2 3.87Å; Y518-I588 HydrophobicContact CG-CG2 3.82Å; I543-I588 HydrophobicContact CD1-CG2 4.28Å; M547-I588 HydrophobicContact CE-CG1 3.94Å; V555-I588 HydrophobicContact CG1-CD1 4.4Å; F567-I588 HydrophobicContact CE2-CG2 4.33Å; L584-I588 HydrophobicContact CD1-CD1 4.13Å; L584-I588 HydrophobicContact CD1-CG1 4.49Å; L584-I588 HydrophobicContact CG-CD1 4.1Å; L584-I588 VanDerWaalsContact O-CG1 3.32Å; L584-I588 WeakPolarHBondContact O-CG1 3.09Å; L584-I588 PolarHBondContact O-N 3.29Å; V585-I588 PolarHBondContact O-N 3.13Å; I588-G592 PolarHBondContact O-N 2.75Å
589	E	97.7	Very high	97.5	Very high	38 Å²	38	48 Å²	48	18%	0.178	23%	0.228	C	C	.	.	H	α-helix	trans	-63	-48.6	175.8	-73.3	-179.1	146.6	0	0	112.2	R498 F501 Y518 V585 E586 E587 L591 G592 H593	R498-E589 IonicContact CZ-OE1 3.95Å; R498-E589 VanDerWaalsContact CZ-OE1 3.25Å; R498-E589 IonicContact CZ-OE2 3.7Å; R498-E589 IonicContact NE-OE1 3.81Å; R498-E589 PolarHBondContact NE-OE1 3.42Å; R498-E589 IonicContact NE-OE2 3.65Å; R498-E589 VanDerWaalsContact NH2-CD 3.27Å; R498-E589 IonicContact NH2-OE1 2.89Å; R498-E589 PolarHBondContact NH2-OE1 3.18Å; R498-E589 IonicContact NH2-OE2 2.75Å; R498-E589 PolarHBondContact NH2-OE2 3.33Å; F501-E589 HydrophobicContact CE2-CG 3.57Å; F501-E589 WeakPolarHBondContact CE2-OE1 3.47Å; F501-E589 HydrophobicContact CZ-CG 3.78Å; Y518-E589 HydrophobicContact CE2-CB 4.35Å; Y518-E589 HydrophobicContact CE2-CG 3.83Å; Y518-E589 PolarHBondContact OH-O 3.02Å; V585-E589 WeakPolarHBondContact O-CG 3.18Å; V585-E589 PolarHBondContact O-N 2.86Å; E586-E589 PolarHBondContact O-N 3.47Å; E587-E589 VanDerWaalsContact C-N 3.33Å; E589-L591 PolarHBondContact O-N 2.78Å; E589-G592 PolarHBondContact O-N 2.93Å; E589-H593 WeakPolarHBondContact O-CB 3.49Å; E589-H593 PolarHBondContact O-N 2.66Å
590	R	98.1	Very high	97.5	Very high	146 Å²	146	46.9 Å²	46.9	55%	0.551	21%	0.214	S	C	*	.	H	α-helix	trans	-59.5	-46.8	-179.4	-172.4	-171.4	69	76.6	-2.4	111.4	E586 E587	E586-R590 WeakPolarHBondContact O-CB 3.23Å; E586-R590 PolarHBondContact O-N 2.83Å; E587-R590 VanDerWaalsContact CD-NH2 3.27Å; E587-R590 PolarHBondContact O-N 2.97Å; E587-R590 IonicContact OE1-CZ 3.95Å; E587-R590 IonicContact OE1-NE 3.95Å; E587-R590 IonicContact OE1-NH2 3.4Å; E587-R590 PolarHBondContact OE1-NH2 2.96Å; E587-R590 IonicContact OE2-CZ 3.08Å; E587-R590 IonicContact OE2-NE 3.42Å; E587-R590 PolarHBondContact OE2-NE 3.41Å; E587-R590 IonicContact OE2-NH2 2.76Å; E587-R590 PolarHBondContact OE2-NH2 3.04Å; E587-R590 VanDerWaalsContact OE2-NH2 3.12Å
591	L	98	Very high	97.4	Very high	16 Å²	16	50.1 Å²	50.1	8%	0.084	23%	0.228	C	C	.	.	H	α-helix	trans	-71.6	-31.8	179.3	-68.5	179.1	0	0	0	112.3	I543 M546 M547 E587 E589	I543-L591 HydrophobicContact CG2-CB 4.11Å; I543-L591 HydrophobicContact CG2-CD1 4.35Å; M546-L591 HydrophobicContact CB-CD1 4.32Å; M546-L591 HydrophobicContact CB-CD2 3.79Å; M546-L591 HydrophobicContact CB-CG 4.49Å; M546-L591 HydrophobicContact CE-CB 4.24Å; M546-L591 WeakPolarHBondContact CE-O 3.48Å; M547-L591 HydrophobicContact CB-CD1 3.77Å; M547-L591 HydrophobicContact CE-CD1 4.44Å; M547-L591 HydrophobicContact CG-CD1 4.45Å; E587-L591 HydrophobicContact CG-CD1 4Å; E587-L591 HydrophobicContact CG-CG 4.39Å; E587-L591 VanDerWaalsContact O-CB 3.3Å; E587-L591 WeakPolarHBondContact O-CB 3.38Å; E587-L591 WeakPolarHBondContact O-CG 3.46Å; E587-L591 PolarHBondContact O-N 3.26Å; E589-L591 PolarHBondContact O-N 2.78Å
592	G	97.4	Very high	97.3	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-88.5	-12.4	-177.2	0	0	0	0	0	115.3	Y518 P520 I588 E589 E594 L595	Y518-G592 VanDerWaalsContact CE1-CA 3.47Å; Y518-G592 WeakPolarHBondContact CE1-O 3.38Å; P520-G592 WeakPolarHBondContact CB-O 3.48Å; I588-G592 PolarHBondContact O-N 2.75Å; E589-G592 PolarHBondContact O-N 2.93Å; G592-E594 VanDerWaalsContact C-N 3.31Å; G592-E594 PolarHBondContact O-N 2.92Å; G592-L595 WeakPolarHBondContact O-CB 3.35Å; G592-L595 PolarHBondContact O-N 3.48Å
593	H	95.3	Very high	97.2	Very high	113 Å²	113	55.2 Å²	55.2	52%	0.523	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-37.6	-167.4	-169.4	73.5	0	0	0	114	P521 E589	P521-H593 VanDerWaalsContact CD-O 3.24Å; P521-H593 WeakPolarHBondContact CD-O 3.27Å; P521-H593 WeakPolarHBondContact CG-O 3.4Å; E589-H593 WeakPolarHBondContact O-CB 3.49Å; E589-H593 PolarHBondContact O-N 2.66Å
594	E	92.7	Very high	97	Very high	188 Å²	188	55.9 Å²	55.9	88%	0.879	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93	7	-176.1	-60.6	-173.3	169.5	0	0	113.8	G592	G592-E594 VanDerWaalsContact C-N 3.31Å; G592-E594 PolarHBondContact O-N 2.92Å
595	L	92.6	Very high	96.9	Very high	53 Å²	53	61 Å²	61	28%	0.277	28%	0.276	S	S	.	.			trans	-81.7	0	-172.8	-67.6	-174	0	0	0	116.5	P520 S522 V539 K542 I543 M546 G592	P520-L595 HydrophobicContact CB-CB 4.02Å; P520-L595 WeakPolarHBondContact CB-O 3.36Å; P520-L595 HydrophobicContact CG-CB 4.33Å; S522-L595 VanDerWaalsContact CB-O 3.29Å; S522-L595 WeakPolarHBondContact CB-O 3.16Å; S522-L595 PolarHBondContact OG-O 3.35Å; V539-L595 HydrophobicContact CG1-CD1 4.15Å; K542-L595 HydrophobicContact CB-CD1 3.98Å; K542-L595 HydrophobicContact CB-CD2 4.26Å; K542-L595 HydrophobicContact CD-CD1 4.46Å; K542-L595 HydrophobicContact CD-CD2 3.75Å; I543-L595 HydrophobicContact CD1-CD1 4.14Å; I543-L595 HydrophobicContact CG1-CD1 3.54Å; M546-L595 HydrophobicContact CE-CD1 4.2Å; M546-L595 HydrophobicContact CE-CD2 4.2Å; M546-L595 HydrophobicContact CE-CG 4.43Å; G592-L595 WeakPolarHBondContact O-CB 3.35Å; G592-L595 PolarHBondContact O-N 3.48Å

Retrieved 595 of 595 residues in 1622 ms (Link to these results)

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