A0A087XY09_POEFO Loading...

alpha-1,2-Mannosidase

Involved in the endoplasmic reticulum-associated degradation (ERAD) pathway that targets misfolded glycoproteins for degradation in an N-glycan-dependent manner. May initiate ERAD by promoting the first mannose trimming step of ERAD substrates, from Man9GlcNAc2 to Man8GlcNAc2. Seems to recognize and bind to exposed hydrophobic regions in target proteins.

AlphaFold DB , UniProt , Accession A0A087XY09, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 631 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	29.7	Very low	25.5	Very low	247 Å²	247	185.5 Å²	185.5	100%	1.217	86%	0.863	S	S	*	*				0	128.5	0	-99.9	178.1	174.8	0	0	109.1
2	R	26.9	Very low	25.6	Very low	251 Å²	251	181.2 Å²	181.2	95%	0.947	86%	0.859	S	S	*	*			trans	65.9	94.6	165.7	-69.2	-172.5	178.3	-175.1	-0.1	120.8
3	R	23.3	Very low	25.5	Very low	210 Å²	210	176.2 Å²	176.2	79%	0.792	86%	0.856	S	S	*	*			trans	-43	149.8	142.7	-63.1	176.6	177	-177.7	-0.7	113.3
4	R	26.1	Very low	25.3	Very low	250 Å²	250	172.4 Å²	172.4	94%	0.943	85%	0.854	S	S	*	*			trans	-132.6	124.9	138.7	-85.2	-170.5	177.4	179.9	-0.3	109.6
5	H	24.7	Very low	25.5	Very low	139 Å²	139	169.1 Å²	169.1	64%	0.644	85%	0.85	S	S	*	*			trans	-76.3	146.8	169	-76.2	-61.8	0	0	0	110.2
6	F	23.7	Very low	25.4	Very low	202 Å²	202	168 Å²	168	89%	0.886	85%	0.848	S	S	*	*			trans	-135.4	130.4	138.3	-99.2	-82.7	0	0	0	108.6
7	L	24.5	Very low	25.3	Very low	155 Å²	155	167.8 Å²	167.8	81%	0.812	85%	0.848	S	S	*	*			trans	-79.6	141.3	-177.9	-72.3	142.3	0	0	0	110
8	F	25	Very low	25.2	Very low	197 Å²	197	166.6 Å²	166.6	86%	0.864	84%	0.844	S	S	*	*			trans	-130.3	141.5	152.2	-81.5	-78.6	0	0	0	108.5
9	P	26.8	Very low	25.1	Very low	117 Å²	117	164.1 Å²	164.1	76%	0.76	84%	0.837	S	S	*	*			trans	-85.3	145.1	-166.7	33.8	-32.6	0	0	0	112.6
10	D	24.3	Very low	25.1	Very low	169 Å²	169	161.5 Å²	161.5	90%	0.904	83%	0.829	S	S	*	*			trans	-72.4	131.3	160.2	-81.4	-40.2	0	0	0	110.7
11	S	25.7	Very low	25.2	Very low	104 Å²	104	159.5 Å²	159.5	73%	0.727	83%	0.825	S	S	*	*			trans	-162.4	99.3	145.1	61.2	0	0	0	0	110.7
12	T	26.3	Very low	25.3	Very low	133 Å²	133	151.3 Å²	151.3	82%	0.816	80%	0.803	S	S	*	*			trans	9.2	114.7	137.9	52.1	0	0	0	0	117.9
13	S	24.6	Very low	25.2	Very low	116 Å²	116	146.1 Å²	146.1	81%	0.811	79%	0.794	S	S	*	*				168	124.5	128.9	37.4	0	0	0	0	111.2
14	C	23.3	Very low	25.5	Very low	123 Å²	123	141.7 Å²	141.7	83%	0.831	80%	0.795	S	S	*	*			trans	-59.9	155.9	166.6	-71.1	0	0	0	0	111.5
15	P	27	Very low	25.5	Very low	123 Å²	123	134.9 Å²	134.9	80%	0.799	78%	0.781	S	S	*	*			trans	-120.1	130	133.5	32.1	-21.4	0	0	0	110.6	L17	P15-L17 PolarHBondContact O-N 2.93Å
16	D	24.3	Very low	25.7	Very low	152 Å²	152	132 Å²	132	81%	0.813	78%	0.777	S	S	*	*			trans	-52.8	122.6	172.6	-61.4	-58.2	0	0	0	111.3	L18	D16-L18 PolarHBondContact O-N 2.97Å
17	L	24.2	Very low	26.2	Very low	164 Å²	164	128.7 Å²	128.7	86%	0.859	77%	0.773	S	S	*	*			trans	-81.4	95.5	166.2	-160.6	77.4	0	0	0	107.2	P15 V19	P15-L17 PolarHBondContact O-N 2.93Å; L17-V19 PolarHBondContact O-N 3.41Å; L17-V19 VanDerWaalsContact O-N 3.07Å
18	L	22.5	Very low	26.5	Very low	146 Å²	146	126.3 Å²	126.3	76%	0.764	77%	0.769	S	S	*	*			trans	-64.4	104.9	174.5	-157.5	90.6	0	0	0	109.1	D16 V20	D16-L18 PolarHBondContact O-N 2.97Å; L18-V20 HydrophobicContact CD2-CG2 4.1Å; L18-V20 PolarHBondContact O-N 3.42Å
19	V	24.6	Very low	27	Very low	119 Å²	119	121.7 Å²	121.7	72%	0.721	76%	0.757	S	S	*	*			trans	-70.1	107.5	166.6	176.9	0	0	0	0	107.2	L17 V21	L17-V19 PolarHBondContact O-N 3.41Å; L17-V19 VanDerWaalsContact O-N 3.07Å; V19-V21 HydrophobicContact CG1-CG2 4.23Å; V19-V21 PolarHBondContact O-N 3.11Å
20	V	25.1	Very low	27.2	Very low	112 Å²	112	121.3 Å²	121.3	68%	0.679	76%	0.756	S	S	*	*			trans	-82.4	99.6	172.4	179.4	0	0	0	0	108	L18	L18-V20 HydrophobicContact CD2-CG2 4.1Å; L18-V20 PolarHBondContact O-N 3.42Å
21	V	26.8	Very low	27.7	Very low	120 Å²	120	121.1 Å²	121.1	73%	0.727	75%	0.754	S	S	*	*			trans	-70.6	142	166.2	178.8	0	0	0	0	109.1	V19 L23	V19-V21 HydrophobicContact CG1-CG2 4.23Å; V19-V21 PolarHBondContact O-N 3.11Å; V21-L23 PolarHBondContact O-N 3.15Å
22	G	31.1	Very low	28.3	Very low	75 Å²	75	120.7 Å²	120.7	77%	0.773	75%	0.751	S	S	*	*			trans	-15.5	115.9	-179.6	0	0	0	0	0	118.2
23	L	26.1	Very low	29	Very low	142 Å²	142	120.8 Å²	120.8	74%	0.743	75%	0.751	S	S	*	*			trans	-119.5	117.4	154.3	-98.1	147.9	0	0	0	107	V21 V25	V21-L23 PolarHBondContact O-N 3.15Å; L23-V25 PolarHBondContact O-N 3.12Å
24	S	28.2	Very low	29.6	Very low	118 Å²	118	120.7 Å²	120.7	83%	0.825	75%	0.749	S	S	*	*			trans	-61.3	101	165.8	65.2	0	0	0	0	107.9	S26	S24-S26 PolarHBondContact O-N 3.38Å; S24-S26 VanDerWaalsContact O-N 3.08Å
25	V	27.7	Very low	30.4	Very low	107 Å²	107	120.6 Å²	120.6	65%	0.648	75%	0.747	S	S	*	*			trans	-77.3	98.5	171.6	-178.4	0	0	0	0	106.8	L23 V27	L23-V25 PolarHBondContact O-N 3.12Å; V25-V27 PolarHBondContact O-N 3.41Å
26	S	27.9	Very low	31.2	Very low	78 Å²	78	120.9 Å²	120.9	55%	0.545	75%	0.753	S	S	.	*			trans	-62.3	131.9	165.3	-169.7	0	0	0	0	108.7	S24 S28 T29	S24-S26 PolarHBondContact O-N 3.38Å; S24-S26 VanDerWaalsContact O-N 3.08Å; S26-S28 PolarHBondContact O-N 2.91Å; S26-T29 PolarHBondContact O-N 2.95Å; S26-T29 PolarHBondContact O-OG1 3.24Å
27	V	33.3	Very low	31.9	Very low	133 Å²	133	116.5 Å²	116.5	81%	0.806	74%	0.743	S	S	*	*	G	3₁₀ helix	trans	-56.8	-12	-176.4	176.2	0	0	0	0	113	V25 T29	V25-V27 PolarHBondContact O-N 3.41Å; V27-T29 PolarHBondContact O-N 2.64Å
28	S	31.9	Very low	33.2	Very low	105 Å²	105	114.4 Å²	114.4	73%	0.734	74%	0.742	S	S	*	*	G	3₁₀ helix	trans	-73.1	-14	177.9	-79.2	0	0	0	0	116.2	S26	S26-S28 PolarHBondContact O-N 2.91Å
29	T	34.3	Very low	34.4	Very low	100 Å²	100	115.9 Å²	115.9	61%	0.613	75%	0.747	S	S	*	*	G	3₁₀ helix	trans	-98.9	-2.5	-171	-21.9	0	0	0	0	115.1	S26 V27	S26-T29 PolarHBondContact O-N 2.95Å; S26-T29 PolarHBondContact O-OG1 3.24Å; V27-T29 PolarHBondContact O-N 2.64Å
30	C	33	Very low	35.7	Very low	108 Å²	108	119.3 Å²	119.3	73%	0.73	75%	0.747	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.4	1.8	-178.6	-82	0	0	0	0	115.6
31	L	34	Very low	37.1	Very low	166 Å²	166	117.8 Å²	117.8	87%	0.869	75%	0.747	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.4	0.7	-173.8	-91.6	149.4	0	0	0	115.8
32	S	37.8	Very low	38.4	Very low	95 Å²	95	116.7 Å²	116.7	66%	0.664	74%	0.742	S	S	*	*	S	Bend	trans	-116.1	17	-166.9	50.4	0	0	0	0	117
33	T	42.1	Very low	39.8	Very low	134 Å²	134	117.5 Å²	117.5	82%	0.822	73%	0.732	S	S	*	*			trans	-144.8	85	167	43.2	0	0	0	0	112.7
34	C	36.2	Very low	41.4	Very low	114 Å²	114	113.6 Å²	113.6	77%	0.77	72%	0.715	S	S	*	*			trans	-128.9	107.5	163.4	-128	0	0	0	0	108.4	S36	C34-S36 PolarHBondContact O-N 2.76Å
35	P	41.2	Very low	43.1	Very low	121 Å²	121	110.2 Å²	110.2	79%	0.786	69%	0.694	S	S	*	*			trans	-72	130.6	172.9	9.6	1.7	0	0	0	109.1	G37	P35-G37 PolarHBondContact O-N 3.46Å
36	S	42.2	Very low	44.9	Very low	130 Å²	130	107.6 Å²	107.6	91%	0.909	68%	0.684	S	S	*	*			trans	-57.1	103.6	175.8	45.8	0	0	0	0	111.5	C34	C34-S36 PolarHBondContact O-N 2.76Å
37	G	40.7	Very low	46.8	Very low	60 Å²	60	109 Å²	109	62%	0.619	69%	0.685	S	S	*	*			trans	-164.7	115.1	174.6	0	0	0	0	0	111.7	P35	P35-G37 PolarHBondContact O-N 3.46Å
38	S	51.3	Low	48.2	Very low	120 Å²	120	107.7 Å²	107.7	84%	0.839	67%	0.673	S	S	*	*	S	Bend	trans	-48.7	142	176.3	168.7	0	0	0	0	112.9
39	M	47.7	Very low	49.6	Very low	176 Å²	176	108.6 Å²	108.6	87%	0.867	67%	0.669	S	S	*	*	S	Bend	trans	95.5	27.4	177.6	-65.9	163.8	55.3	0	0	119.5
40	R	50.5	Low	50.7	Low	192 Å²	192	109.3 Å²	109.3	73%	0.725	67%	0.669	S	S	*	*			trans	-128.8	2.8	170.4	-71.3	-172.2	175.8	-173.7	-1.3	117.1	V43 C44	R40-V43 PolarHBondContact O-N 2.65Å; R40-C44 PolarHBondContact O-N 2.56Å; R40-C44 VanDerWaalsContact O-N 3.11Å
41	A	55	Low	51.9	Low	80 Å²	80	108.8 Å²	108.8	66%	0.661	66%	0.658	S	S	*	*	H	α-helix	trans	-56.5	-43.3	-179.7	0	0	0	0	0	115.3	V43 A45	A41-V43 PolarHBondContact O-N 3.26Å; A41-A45 WeakPolarHBondContact O-CB 3.47Å; A41-A45 PolarHBondContact O-N 3.36Å; A41-A45 VanDerWaalsContact O-N 3.11Å
42	P	55.1	Low	52.7	Low	97 Å²	97	104.6 Å²	104.6	63%	0.63	64%	0.642	S	S	*	*	H	α-helix	trans	-74.9	-26.9	-177.9	28.1	-32.7	0	0	0	112.8	A46	P42-A46 WeakPolarHBondContact O-CB 3.45Å; P42-A46 PolarHBondContact O-N 3.48Å
43	V	60.4	Low	53.3	Low	92 Å²	92	103.4 Å²	103.4	56%	0.558	64%	0.637	S	S	*	*	H	α-helix	trans	-76.5	-41.8	179.1	-179.3	0	0	0	0	110.8	R40 A41 A46 L47	R40-V43 PolarHBondContact O-N 2.65Å; A41-V43 PolarHBondContact O-N 3.26Å; V43-A46 PolarHBondContact O-N 3.07Å; V43-L47 WeakPolarHBondContact O-CB 3.46Å; V43-L47 PolarHBondContact O-N 3.33Å
44	C	58.2	Low	53.7	Low	59 Å²	59	102.5 Å²	102.5	40%	0.399	63%	0.627	S	S	.	*	H	α-helix	trans	-65.6	-38.4	173.1	-74.5	0	0	0	0	112	R40 L47 L48	R40-C44 PolarHBondContact O-N 2.56Å; R40-C44 VanDerWaalsContact O-N 3.11Å; C44-L47 PolarHBondContact O-N 3.07Å; C44-L48 VanDerWaalsContact O-CB 3.28Å; C44-L48 WeakPolarHBondContact O-CB 3.4Å; C44-L48 WeakPolarHBondContact O-CD1 3.16Å; C44-L48 WeakPolarHBondContact O-CG 3.45Å; C44-L48 PolarHBondContact O-N 3.26Å
45	A	64.2	Low	54.1	Low	47 Å²	47	100.8 Å²	100.8	39%	0.388	62%	0.616	S	S	.	*	H	α-helix	trans	-65.4	-40	175.2	0	0	0	0	0	112.1	A41 L48 L49	A41-A45 WeakPolarHBondContact O-CB 3.47Å; A41-A45 PolarHBondContact O-N 3.36Å; A41-A45 VanDerWaalsContact O-N 3.11Å; A45-L48 PolarHBondContact O-N 2.97Å; A45-L49 WeakPolarHBondContact O-CB 3.19Å; A45-L49 VanDerWaalsContact O-CG 3.29Å; A45-L49 WeakPolarHBondContact O-CG 3.43Å; A45-L49 PolarHBondContact O-N 2.84Å
46	A	66.9	Low	54.1	Low	53 Å²	53	102.3 Å²	102.3	44%	0.438	62%	0.618	S	S	.	*	H	α-helix	trans	-66.7	-40.1	174.1	0	0	0	0	0	112.2	P42 V43 L49 L50	P42-A46 WeakPolarHBondContact O-CB 3.45Å; P42-A46 PolarHBondContact O-N 3.48Å; V43-A46 PolarHBondContact O-N 3.07Å; A46-L49 PolarHBondContact O-N 2.82Å; A46-L50 WeakPolarHBondContact O-CB 3.4Å; A46-L50 PolarHBondContact O-N 3Å
47	L	65.9	Low	54.3	Low	107 Å²	107	100.2 Å²	100.2	56%	0.56	61%	0.608	S	S	*	*	H	α-helix	trans	-66.9	-38.9	175.5	-132.1	90.2	0	0	0	111.8	V43 C44 L50 L51	V43-L47 WeakPolarHBondContact O-CB 3.46Å; V43-L47 PolarHBondContact O-N 3.33Å; C44-L47 PolarHBondContact O-N 3.07Å; L47-L50 PolarHBondContact O-N 3.42Å; L47-L51 HydrophobicContact CD2-CD1 4.33Å; L47-L51 WeakPolarHBondContact O-CB 3.36Å; L47-L51 WeakPolarHBondContact O-CD1 3.45Å; L47-L51 WeakPolarHBondContact O-CG 3.41Å; L47-L51 PolarHBondContact O-N 2.03Å
48	L	63.5	Low	54.8	Low	106 Å²	106	101.1 Å²	101.1	56%	0.555	61%	0.61	S	S	*	*	H	α-helix	trans	-67.4	-39.2	174.4	-85.7	155.6	0	0	0	111.8	C44 A45 L51 C52	C44-L48 VanDerWaalsContact O-CB 3.28Å; C44-L48 WeakPolarHBondContact O-CB 3.4Å; C44-L48 WeakPolarHBondContact O-CD1 3.16Å; C44-L48 WeakPolarHBondContact O-CG 3.45Å; C44-L48 PolarHBondContact O-N 3.26Å; A45-L48 PolarHBondContact O-N 2.97Å; L48-L51 PolarHBondContact O-N 2.86Å; L48-C52 VanDerWaalsContact O-CB 3.23Å; L48-C52 WeakPolarHBondContact O-CB 3.28Å; L48-C52 PolarHBondContact O-N 3.29Å; L48-C52 PolarHBondContact O-SG 3.32Å
49	L	60.4	Low	55.1	Low	124 Å²	124	98.1 Å²	98.1	65%	0.649	59%	0.592	S	S	*	*	H	α-helix	trans	-68.9	-36.4	173.3	-75.8	165.8	0	0	0	111.8	A45 A46 A53	A45-L49 WeakPolarHBondContact O-CB 3.19Å; A45-L49 VanDerWaalsContact O-CG 3.29Å; A45-L49 WeakPolarHBondContact O-CG 3.43Å; A45-L49 PolarHBondContact O-N 2.84Å; A46-L49 PolarHBondContact O-N 2.82Å; L49-A53 WeakPolarHBondContact O-CB 3.32Å; L49-A53 PolarHBondContact O-N 2.83Å
50	L	59.2	Low	56.6	Low	115 Å²	115	96 Å²	96	60%	0.602	58%	0.575	S	S	*	*	H	α-helix	trans	-67.6	-42.9	172.9	-133	94.3	0	0	0	111.1	A46 L47 A53 L54	A46-L50 WeakPolarHBondContact O-CB 3.4Å; A46-L50 PolarHBondContact O-N 3Å; L47-L50 PolarHBondContact O-N 3.42Å; L50-A53 PolarHBondContact O-N 2.72Å; L50-L54 HydrophobicContact CD2-CD1 4.41Å; L50-L54 VanDerWaalsContact O-CB 3.28Å; L50-L54 WeakPolarHBondContact O-CB 3.06Å; L50-L54 WeakPolarHBondContact O-CD1 3.46Å; L50-L54 WeakPolarHBondContact O-CG 3.01Å; L50-L54 PolarHBondContact O-N 2.81Å
51	L	58.1	Low	58.4	Low	96 Å²	96	93 Å²	93	50%	0.503	57%	0.569	S	S	.	*	H	α-helix	trans	-67.1	-39.5	177	-78.4	159.5	0	0	0	111.3	L47 L48 L54 S55	L47-L51 HydrophobicContact CD2-CD1 4.33Å; L47-L51 WeakPolarHBondContact O-CB 3.36Å; L47-L51 WeakPolarHBondContact O-CD1 3.45Å; L47-L51 WeakPolarHBondContact O-CG 3.41Å; L47-L51 PolarHBondContact O-N 2.03Å; L48-L51 PolarHBondContact O-N 2.86Å; L51-L54 CarbonylContact O-C 3.59Å; L51-L54 PolarHBondContact O-N 2.97Å; L51-S55 WeakPolarHBondContact O-CB 3.44Å; L51-S55 PolarHBondContact O-N 2.69Å; L51-S55 PolarHBondContact O-OG 3.06Å
52	C	51.1	Low	60.3	Low	79 Å²	79	89.7 Å²	89.7	53%	0.534	54%	0.539	S	S	.	.	H	α-helix	trans	-67.7	-38.6	172	-73.1	0	0	0	0	112	L48 L54 S55 D56	L48-C52 VanDerWaalsContact O-CB 3.23Å; L48-C52 WeakPolarHBondContact O-CB 3.28Å; L48-C52 PolarHBondContact O-N 3.29Å; L48-C52 PolarHBondContact O-SG 3.32Å; C52-L54 VanDerWaalsContact C-N 3.31Å; C52-L54 PolarHBondContact O-N 2.92Å; C52-S55 WeakPolarHBondContact O-CB 3.17Å; C52-S55 PolarHBondContact O-N 3.42Å; C52-S55 VanDerWaalsContact O-N 3.14Å; C52-D56 PolarHBondContact O-N 3.09Å
53	A	49.5	Very low	62.2	Low	69 Å²	69	87.5 Å²	87.5	57%	0.57	53%	0.527	S	S	*	.	H	α-helix	trans	-68.7	-29.4	173.5	0	0	0	0	0	112.6	L49 L50	L49-A53 WeakPolarHBondContact O-CB 3.32Å; L49-A53 PolarHBondContact O-N 2.83Å; L50-A53 PolarHBondContact O-N 2.72Å
54	L	50	Low	63.8	Low	116 Å²	116	88 Å²	88	61%	0.607	52%	0.523	S	S	*	.	H	α-helix	trans	-79	-19.4	170.9	-70.5	164.6	0	0	0	112.3	L50 L51 C52	L50-L54 HydrophobicContact CD2-CD1 4.41Å; L50-L54 VanDerWaalsContact O-CB 3.28Å; L50-L54 WeakPolarHBondContact O-CB 3.06Å; L50-L54 WeakPolarHBondContact O-CD1 3.46Å; L50-L54 WeakPolarHBondContact O-CG 3.01Å; L50-L54 PolarHBondContact O-N 2.81Å; L51-L54 CarbonylContact O-C 3.59Å; L51-L54 PolarHBondContact O-N 2.97Å; C52-L54 VanDerWaalsContact C-N 3.31Å; C52-L54 PolarHBondContact O-N 2.92Å
55	S	44.7	Very low	65.6	Low	78 Å²	78	93 Å²	93	55%	0.545	54%	0.54	S	S	.	.	H	α-helix	trans	-76.9	-23.5	174.7	-54.7	0	0	0	0	112.3	L51 C52 A57 A58	L51-S55 WeakPolarHBondContact O-CB 3.44Å; L51-S55 PolarHBondContact O-N 2.69Å; L51-S55 PolarHBondContact O-OG 3.06Å; C52-S55 WeakPolarHBondContact O-CB 3.17Å; C52-S55 PolarHBondContact O-N 3.42Å; C52-S55 VanDerWaalsContact O-N 3.14Å; S55-A57 PolarHBondContact O-N 3.41Å; S55-A58 WeakPolarHBondContact O-CB 3.35Å; S55-A58 PolarHBondContact O-N 2.95Å
56	D	40.8	Very low	67.2	Low	153 Å²	153	94 Å²	94	82%	0.818	54%	0.537	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.1	-3.6	174.8	-114.7	-4.8	0	0	0	113.1	C52 A58	C52-D56 PolarHBondContact O-N 3.09Å; D56-A58 VanDerWaalsContact C-N 3.32Å
57	A	46.1	Very low	68.7	Low	85 Å²	85	91.8 Å²	91.8	70%	0.702	52%	0.518	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.6	19.8	167.9	0	0	0	0	0	112.4	S55 A59	S55-A57 PolarHBondContact O-N 3.41Å; A57-A59 PolarHBondContact O-N 3.34Å
58	A	51.7	Low	70.2	Confident	79 Å²	79	88.6 Å²	88.6	65%	0.653	51%	0.507	S	S	*	.	S	Bend	trans	-65.8	120	165.5	0	0	0	0	0	108.5	S55 D56 R60	S55-A58 WeakPolarHBondContact O-CB 3.35Å; S55-A58 PolarHBondContact O-N 2.95Å; D56-A58 VanDerWaalsContact C-N 3.32Å; A58-R60 PolarHBondContact O-N 2.86Å
59	A	59.1	Low	71.8	Confident	57 Å²	57	86.2 Å²	86.2	47%	0.471	50%	0.502	S	S	.	.			trans	-48.6	132.8	173.6	0	0	0	0	0	109.5	A57 Q61	A57-A59 PolarHBondContact O-N 3.34Å; A59-Q61 PolarHBondContact O-N 3.29Å
60	R	77.3	Confident	73.6	Confident	132 Å²	132	80.7 Å²	80.7	50%	0.498	47%	0.474	S	S	.	.			trans	-57.2	112.9	-178.2	-179.9	-176.8	179.3	166.6	-1.5	109.2	A58 F62 H422 Q426	A58-R60 PolarHBondContact O-N 2.86Å; R60-F62 HydrophobicContact CG-CE2 4.43Å; R60-H422 VanDerWaalsContact O-CB 3.26Å; R60-H422 WeakPolarHBondContact O-CB 3.42Å; R60-Q426 VanDerWaalsContact CD-OE1 3.3Å
61	Q	89.3	Confident	75.5	Confident	130 Å²	130	77 Å²	77	61%	0.607	45%	0.452	S	S	*	.	P	Polyproline II helix	trans	-75.7	131.2	172.6	-164.9	67.2	8	0	0	109.5	A59 H422	A59-Q61 PolarHBondContact O-N 3.29Å; Q61-H422 VanDerWaalsContact CD-CE1 3.49Å; Q61-H422 PolarHBondContact NE2-CD2 3.22Å; Q61-H422 PolarHBondContact NE2-CE1 2.89Å; Q61-H422 PolarHBondContact NE2-NE2 2.86Å; Q61-H422 PolarHBondContact OE1-CD2 3.5Å
62	F	94.4	Very high	77.4	Confident	9 Å²	9	77.8 Å²	77.8	4%	0.039	45%	0.453	C	S	.	.	P	Polyproline II helix	trans	-93.2	129.8	174.8	-77.8	-109	0	0	0	109.4	R60 Q66 M67 H422 L425 Q426 L429 F476	R60-F62 HydrophobicContact CG-CE2 4.43Å; F62-Q66 HydrophobicContact CD1-CB 4.22Å; F62-M67 HydrophobicContact CB-CG 3.93Å; F62-M67 HydrophobicContact CB-SD 4.39Å; F62-M67 HydrophobicContact CD1-CG 4.44Å; F62-H422 WeakPolarHBondContact CB-ND1 3.5Å; F62-H422 HydrophobicContact CD2-CB 4.23Å; F62-H422 AromaticContact CD2-ND1 3.91Å; F62-H422 PolarHBondContact N-ND1 3.35Å; F62-H422 PolarHBondContact O-CE1 2.86Å; F62-L425 HydrophobicContact CB-CD1 3.81Å; F62-L425 HydrophobicContact CD1-CB 4.43Å; F62-L425 HydrophobicContact CD2-CB 3.72Å; F62-L425 HydrophobicContact CD2-CD1 4.13Å; F62-L425 HydrophobicContact CE2-CB 3.81Å; F62-L425 HydrophobicContact CG-CB 4.06Å; F62-L425 HydrophobicContact CG-CD1 4Å; F62-L425 HydrophobicContact CZ-CB 4.22Å; F62-Q426 HydrophobicContact CE2-CB 4.12Å; F62-Q426 HydrophobicContact CZ-CB 4.4Å; F62-L429 HydrophobicContact CE1-CB 4.5Å; F62-L429 HydrophobicContact CE1-CD2 4.15Å; F62-L429 HydrophobicContact CZ-CB 4.36Å; F62-L429 HydrophobicContact CZ-CD2 4.12Å; F62-F476 HydrophobicContact CD1-CE1 4.36Å; F62-F476 HydrophobicContact CE1-CE1 4.2Å
63	S	95	Very high	79.7	Confident	52 Å²	52	78.2 Å²	78.2	36%	0.364	44%	0.443	S	S	.	.	P	Polyproline II helix	trans	-82.1	159.2	168.5	70.9	0	0	0	0	111.3	E65 Q66 M67	S63-E65 PolarHBondContact O-N 3.46Å; S63-Q66 WeakPolarHBondContact O-CB 3.5Å; S63-Q66 PolarHBondContact O-N 3.06Å; S63-Q66 WeakPolarHBondContact OG-CG 3.43Å; S63-Q66 PolarHBondContact OG-N 2.86Å; S63-M67 WeakPolarHBondContact O-CG 3.32Å; S63-M67 PolarHBondContact O-N 3.17Å
64	E	94.5	Very high	82	Confident	102 Å²	102	74.9 Å²	74.9	48%	0.477	42%	0.416	S	S	.	.	H	α-helix	trans	-56.3	-33.9	172	-76.7	-58.4	148.4	0	0	112.9	M67 A68 R71	E64-M67 HydrophobicContact CG-CE 4.2Å; E64-M67 PolarHBondContact O-N 3.25Å; E64-M67 WeakPolarHBondContact OE1-CE 3.35Å; E64-A68 WeakPolarHBondContact O-CB 3.44Å; E64-A68 PolarHBondContact O-N 3.32Å; E64-R71 IonicContact OE2-NH1 3.74Å; E64-R71 PolarHBondContact OE2-NH1 2.97Å; E64-R71 IonicContact OE2-NH2 3.28Å
65	E	96.5	Very high	84.3	Confident	163 Å²	163	71.8 Å²	71.8	76%	0.762	40%	0.398	S	S	*	.	H	α-helix	trans	-64.2	-42.8	175.6	-174.7	-178.8	-176	0	0	111.5	S63 A68 A69	S63-E65 PolarHBondContact O-N 3.46Å; E65-A68 PolarHBondContact O-N 3.48Å; E65-A69 PolarHBondContact O-N 3.33Å
66	Q	96.9	Very high	86.9	Confident	69 Å²	69	71 Å²	71	32%	0.322	39%	0.392	S	S	.	.	H	α-helix	trans	-66.5	-45.3	175.9	-71.1	171.6	-37.9	0	0	111.2	F62 S63 A68 A69 V70	F62-Q66 HydrophobicContact CD1-CB 4.22Å; S63-Q66 WeakPolarHBondContact O-CB 3.5Å; S63-Q66 PolarHBondContact O-N 3.06Å; S63-Q66 WeakPolarHBondContact OG-CG 3.43Å; S63-Q66 PolarHBondContact OG-N 2.86Å; Q66-A68 VanDerWaalsContact C-N 3.34Å; Q66-A68 PolarHBondContact O-N 2.77Å; Q66-A69 PolarHBondContact O-N 3.42Å; Q66-V70 WeakPolarHBondContact O-CG2 3.19Å; Q66-V70 PolarHBondContact O-N 3.25Å
67	M	97.6	Very high	89.6	Confident	6 Å²	6	63.7 Å²	63.7	3%	0.03	35%	0.353	C	S	.	.	H	α-helix	trans	-61.9	-42.8	176.7	-64.1	-167.1	-71.4	0	0	111.1	F62 S63 E64 A69 V70 R71 L425 F476 P478	F62-M67 HydrophobicContact CB-CG 3.93Å; F62-M67 HydrophobicContact CB-SD 4.39Å; F62-M67 HydrophobicContact CD1-CG 4.44Å; S63-M67 WeakPolarHBondContact O-CG 3.32Å; S63-M67 PolarHBondContact O-N 3.17Å; E64-M67 HydrophobicContact CG-CE 4.2Å; E64-M67 PolarHBondContact O-N 3.25Å; E64-M67 WeakPolarHBondContact OE1-CE 3.35Å; M67-A69 VanDerWaalsContact C-N 3.34Å; M67-A69 PolarHBondContact O-N 2.78Å; M67-V70 PolarHBondContact O-N 2.73Å; M67-V70 VanDerWaalsContact O-N 3.17Å; M67-R71 WeakPolarHBondContact O-CG 3.43Å; M67-R71 PolarHBondContact O-N 3.41Å; M67-L425 HydrophobicContact CG-CD1 4.46Å; M67-L425 HydrophobicContact SD-CD1 3.68Å; M67-L425 HydrophobicContact SD-CD2 4.28Å; M67-F476 HydrophobicContact CB-CB 4.47Å; M67-F476 HydrophobicContact CB-CD1 4.21Å; M67-F476 HydrophobicContact CG-CD1 4.04Å; M67-P478 HydrophobicContact CE-CG 4.44Å
68	A	97.8	Very high	92.2	Very high	40 Å²	40	59.7 Å²	59.7	33%	0.331	32%	0.32	S	S	.	.	H	α-helix	trans	-59.5	-41.4	174.6	0	0	0	0	0	112.8	E64 E65 Q66 V70 R71 Q72	E64-A68 WeakPolarHBondContact O-CB 3.44Å; E64-A68 PolarHBondContact O-N 3.32Å; E65-A68 PolarHBondContact O-N 3.48Å; Q66-A68 VanDerWaalsContact C-N 3.34Å; Q66-A68 PolarHBondContact O-N 2.77Å; A68-V70 VanDerWaalsContact C-N 3.34Å; A68-V70 PolarHBondContact O-N 2.84Å; A68-R71 PolarHBondContact O-N 2.89Å; A68-Q72 PolarHBondContact O-N 3.09Å
69	A	98.3	Very high	94.4	Very high	56 Å²	56	58.9 Å²	58.9	46%	0.463	30%	0.3	S	S	.	.	H	α-helix	trans	-62.8	-40.9	175.8	0	0	0	0	0	111.8	E65 Q66 M67 Q72 R73	E65-A69 PolarHBondContact O-N 3.33Å; Q66-A69 PolarHBondContact O-N 3.42Å; M67-A69 VanDerWaalsContact C-N 3.34Å; M67-A69 PolarHBondContact O-N 2.78Å; A69-Q72 PolarHBondContact O-N 2.79Å; A69-R73 WeakPolarHBondContact O-CG 3.26Å; A69-R73 PolarHBondContact O-N 3Å; A69-R73 VanDerWaalsContact O-N 3.15Å
70	V	98.4	Very high	96.3	Very high	9 Å²	9	58.5 Å²	58.5	6%	0.055	29%	0.289	C	S	.	.	H	α-helix	trans	-69.3	-42.8	176	-176.3	0	0	0	0	111.3	Q66 M67 A68 Q72 R73 I74 L429 V432 F476	Q66-V70 WeakPolarHBondContact O-CG2 3.19Å; Q66-V70 PolarHBondContact O-N 3.25Å; M67-V70 PolarHBondContact O-N 2.73Å; M67-V70 VanDerWaalsContact O-N 3.17Å; A68-V70 VanDerWaalsContact C-N 3.34Å; A68-V70 PolarHBondContact O-N 2.84Å; V70-Q72 PolarHBondContact O-N 3.09Å; V70-R73 WeakPolarHBondContact O-CB 3.41Å; V70-R73 PolarHBondContact O-N 3.19Å; V70-I74 HydrophobicContact CG1-CD1 3.84Å; V70-I74 HydrophobicContact CG1-CG1 4.39Å; V70-I74 WeakPolarHBondContact O-CG1 3.36Å; V70-I74 PolarHBondContact O-N 3.03Å; V70-L429 HydrophobicContact CG2-CD1 3.94Å; V70-V432 HydrophobicContact CG1-CG2 4.36Å; V70-F476 HydrophobicContact CB-CD1 4.12Å; V70-F476 HydrophobicContact CB-CD2 4.28Å; V70-F476 HydrophobicContact CB-CE1 4.18Å; V70-F476 HydrophobicContact CB-CE2 4.36Å; V70-F476 HydrophobicContact CB-CG 4.17Å; V70-F476 HydrophobicContact CB-CZ 4.31Å; V70-F476 HydrophobicContact CG1-CD1 4.2Å; V70-F476 HydrophobicContact CG1-CD2 3.58Å; V70-F476 HydrophobicContact CG1-CE1 4.04Å; V70-F476 HydrophobicContact CG1-CE2 3.43Å; V70-F476 VanDerWaalsContact CG1-CE2 3.43Å; V70-F476 HydrophobicContact CG1-CG 3.99Å; V70-F476 HydrophobicContact CG1-CZ 3.67Å; V70-F476 HydrophobicContact CG2-CE1 4.32Å
71	R	98.1	Very high	97.3	Very high	37 Å²	37	52.2 Å²	52.2	14%	0.14	27%	0.265	C	S	.	.	H	α-helix	trans	-52.5	-42.6	172.1	-73.8	-172.4	-62.7	-118	7.7	111.6	E64 M67 A68 I74 K75 Y473 F476	E64-R71 IonicContact OE2-NH1 3.74Å; E64-R71 PolarHBondContact OE2-NH1 2.97Å; E64-R71 IonicContact OE2-NH2 3.28Å; M67-R71 WeakPolarHBondContact O-CG 3.43Å; M67-R71 PolarHBondContact O-N 3.41Å; A68-R71 PolarHBondContact O-N 2.89Å; R71-I74 PolarHBondContact O-N 3.24Å; R71-K75 WeakPolarHBondContact O-CG 3.4Å; R71-K75 PolarHBondContact O-N 2.62Å; R71-Y473 HydrophobicContact CB-CD2 4.27Å; R71-Y473 HydrophobicContact CB-CE2 3.84Å; R71-Y473 HydrophobicContact CG-CD2 4.35Å; R71-Y473 HydrophobicContact CG-CE2 4.08Å; R71-F476 VanDerWaalsContact CD-O 3.24Å; R71-F476 WeakPolarHBondContact CD-O 3.15Å; R71-F476 HydrophobicContact CG-CB 3.62Å; R71-F476 PolarHBondContact NH1-O 3.33Å
72	Q	98.4	Very high	97.7	Very high	113 Å²	113	46.1 Å²	46.1	53%	0.528	24%	0.237	S	C	.	.	H	α-helix	trans	-68.7	-35.7	178.2	-172.6	58.6	28.2	0	0	112.9	A68 A69 V70 S76	A68-Q72 PolarHBondContact O-N 3.09Å; A69-Q72 PolarHBondContact O-N 2.79Å; V70-Q72 PolarHBondContact O-N 3.09Å; Q72-S76 PolarHBondContact O-N 3.17Å; Q72-S76 PolarHBondContact O-OG 2.98Å
73	R	98.5	Very high	97.9	Very high	87 Å²	87	49.1 Å²	49.1	33%	0.328	25%	0.253	S	S	.	.	H	α-helix	trans	-62.7	-47.8	172	-70.2	172.5	64.6	-174.1	1	110.6	A69 V70 K75 S76 M77 E433	A69-R73 WeakPolarHBondContact O-CG 3.26Å; A69-R73 PolarHBondContact O-N 3Å; A69-R73 VanDerWaalsContact O-N 3.15Å; V70-R73 WeakPolarHBondContact O-CB 3.41Å; V70-R73 PolarHBondContact O-N 3.19Å; R73-K75 PolarHBondContact O-N 3.39Å; R73-S76 CarbonylContact O-C 3.55Å; R73-S76 WeakPolarHBondContact O-CA 3.29Å; R73-S76 VanDerWaalsContact O-CB 3.3Å; R73-S76 WeakPolarHBondContact O-CB 3.3Å; R73-S76 PolarHBondContact O-N 3.5Å; R73-M77 WeakPolarHBondContact O-CG 3.3Å; R73-M77 PolarHBondContact O-N 2.82Å; R73-E433 IonicContact NH1-OE1 3.34Å
74	I	98.8	Very high	98.1	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-60.2	-43.9	178.3	-65.3	159	0	0	0	111.2	V70 R71 S76 M77 F78 V432 I469 L472 Y473 F476	V70-I74 HydrophobicContact CG1-CD1 3.84Å; V70-I74 HydrophobicContact CG1-CG1 4.39Å; V70-I74 WeakPolarHBondContact O-CG1 3.36Å; V70-I74 PolarHBondContact O-N 3.03Å; R71-I74 PolarHBondContact O-N 3.24Å; I74-S76 VanDerWaalsContact C-N 3.27Å; I74-S76 PolarHBondContact O-N 3.45Å; I74-M77 WeakPolarHBondContact O-CB 3.22Å; I74-M77 PolarHBondContact O-N 3Å; I74-M77 VanDerWaalsContact O-N 3.14Å; I74-F78 PolarHBondContact O-N 2.96Å; I74-V432 HydrophobicContact CD1-CG2 4.06Å; I74-V432 HydrophobicContact CG1-CG2 3.68Å; I74-I469 HydrophobicContact CG2-CD1 4.26Å; I74-I469 HydrophobicContact CG2-CG2 3.84Å; I74-L472 HydrophobicContact CD1-CB 3.83Å; I74-L472 HydrophobicContact CG1-CB 4.26Å; I74-L472 HydrophobicContact CG2-CB 4.38Å; I74-Y473 HydrophobicContact CG2-CD2 4.38Å; I74-F476 HydrophobicContact CD1-CD2 3.66Å; I74-F476 HydrophobicContact CD1-CE2 4.21Å
75	K	98.6	Very high	98.3	Very high	50 Å²	50	42.4 Å²	42.4	22%	0.217	22%	0.217	C	C	.	.	H	α-helix	trans	-56.5	-41.4	171.5	-78.5	-177.8	175	-179.1	0	112.2	R71 R73 F78 Y79 L123 Y473	R71-K75 WeakPolarHBondContact O-CG 3.4Å; R71-K75 PolarHBondContact O-N 2.62Å; R73-K75 PolarHBondContact O-N 3.39Å; K75-F78 WeakPolarHBondContact O-CB 3.22Å; K75-F78 PolarHBondContact O-N 2.87Å; K75-Y79 WeakPolarHBondContact O-CD2 3.26Å; K75-Y79 PolarHBondContact O-N 3.25Å; K75-L123 WeakPolarHBondContact CE-O 3.44Å; K75-L123 HydrophobicContact CG-CB 4.5Å; K75-L123 HydrophobicContact CG-CD2 4.09Å; K75-L123 PolarHBondContact NZ-O 3.29Å; K75-Y473 HydrophobicContact CD-CE2 4.1Å; K75-Y473 WeakPolarHBondContact CE-OH 3.2Å; K75-Y473 HydrophobicContact CG-CD2 4.28Å; K75-Y473 HydrophobicContact CG-CE2 3.9Å; K75-Y473 PolarHBondContact NZ-OH 2.88Å
76	S	98.6	Very high	98.3	Very high	62 Å²	62	36.6 Å²	36.6	43%	0.434	19%	0.191	S	C	.	.	H	α-helix	trans	-67.2	-37.5	178.1	-53.9	0	0	0	0	111.9	Q72 R73 I74 H80	Q72-S76 PolarHBondContact O-N 3.17Å; Q72-S76 PolarHBondContact O-OG 2.98Å; R73-S76 CarbonylContact O-C 3.55Å; R73-S76 WeakPolarHBondContact O-CA 3.29Å; R73-S76 VanDerWaalsContact O-CB 3.3Å; R73-S76 WeakPolarHBondContact O-CB 3.3Å; R73-S76 PolarHBondContact O-N 3.5Å; I74-S76 VanDerWaalsContact C-N 3.27Å; I74-S76 PolarHBondContact O-N 3.45Å; S76-H80 WeakPolarHBondContact O-CB 3.45Å; S76-H80 PolarHBondContact O-N 3.48Å
77	M	98.8	Very high	98.3	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-61.1	-47.3	172.7	-62.4	170.5	67.4	0	0	111.2	R73 I74 H80 A81 V432 I435 E436 Y445 F464 I469	R73-M77 WeakPolarHBondContact O-CG 3.3Å; R73-M77 PolarHBondContact O-N 2.82Å; I74-M77 WeakPolarHBondContact O-CB 3.22Å; I74-M77 PolarHBondContact O-N 3Å; I74-M77 VanDerWaalsContact O-N 3.14Å; M77-H80 PolarHBondContact O-N 3.03Å; M77-A81 PolarHBondContact O-N 2.98Å; M77-A81 VanDerWaalsContact O-N 3.11Å; M77-V432 HydrophobicContact SD-CG1 3.86Å; M77-V432 HydrophobicContact SD-CG2 4.38Å; M77-I435 HydrophobicContact CE-CB 4.12Å; M77-I435 HydrophobicContact CE-CG2 3.65Å; M77-E436 HydrophobicContact CE-CG 4.23Å; M77-E436 HydrophobicContact CG-CG 4.14Å; M77-E436 WeakPolarHBondContact CG-OE1 3.24Å; M77-E436 HydrophobicContact SD-CG 4.02Å; M77-Y445 HydrophobicContact CB-CE2 4.16Å; M77-Y445 HydrophobicContact CE-CE1 4.18Å; M77-Y445 WeakPolarHBondContact CG-OH 3.26Å; M77-F464 HydrophobicContact CE-CZ 4.29Å; M77-I469 HydrophobicContact CB-CD1 3.73Å; M77-I469 HydrophobicContact CE-CD1 4.21Å
78	F	98.8	Very high	98.3	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-55.3	-55.8	176.8	-177	-94.3	0	0	0	111.4	I74 K75 H80 A81 Y82 A116 T119 L120 L123 L465 I469	I74-F78 PolarHBondContact O-N 2.96Å; K75-F78 WeakPolarHBondContact O-CB 3.22Å; K75-F78 PolarHBondContact O-N 2.87Å; F78-H80 VanDerWaalsContact C-N 3.28Å; F78-H80 PolarHBondContact O-N 3.44Å; F78-A81 PolarHBondContact O-N 2.84Å; F78-A81 VanDerWaalsContact O-N 3.16Å; F78-Y82 HydrophobicContact CE1-CD1 4.29Å; F78-Y82 HydrophobicContact CE1-CD2 4.24Å; F78-Y82 AromaticContact CE1-CG 3.85Å; F78-Y82 HydrophobicContact CE1-CG 3.85Å; F78-Y82 HydrophobicContact CZ-CD2 4.07Å; F78-Y82 HydrophobicContact CZ-CG 4.14Å; F78-Y82 VanDerWaalsContact O-CB 3.23Å; F78-Y82 WeakPolarHBondContact O-CB 3.46Å; F78-Y82 PolarHBondContact O-N 2.79Å; F78-A116 HydrophobicContact CE2-CB 4.41Å; F78-A116 HydrophobicContact CZ-CB 4.35Å; F78-T119 HydrophobicContact CD2-CG2 3.9Å; F78-T119 HydrophobicContact CE2-CG2 3.5Å; F78-T119 VanDerWaalsContact CE2-CG2 3.5Å; F78-T119 HydrophobicContact CZ-CG2 4.29Å; F78-L120 HydrophobicContact CE1-CD2 3.59Å; F78-L120 HydrophobicContact CE1-CG 4.47Å; F78-L120 HydrophobicContact CZ-CD2 3.77Å; F78-L120 HydrophobicContact CZ-CG 4.17Å; F78-L123 HydrophobicContact CB-CD1 3.56Å; F78-L123 HydrophobicContact CD1-CD1 3.49Å; F78-L123 VanDerWaalsContact CD1-CD1 3.49Å; F78-L123 HydrophobicContact CD2-CD1 3.58Å; F78-L123 HydrophobicContact CE1-CD1 4.06Å; F78-L123 HydrophobicContact CE2-CD1 4.11Å; F78-L123 HydrophobicContact CG-CD1 3.22Å; F78-L123 HydrophobicContact CZ-CD1 4.32Å; F78-L465 HydrophobicContact CD2-CB 4.49Å; F78-L465 HydrophobicContact CD2-CD2 3.51Å; F78-L465 HydrophobicContact CE2-CB 4.14Å; F78-L465 HydrophobicContact CE2-CD2 3.76Å; F78-L465 HydrophobicContact CE2-CG 4.48Å; F78-L465 HydrophobicContact CG-CD2 4.19Å; F78-I469 HydrophobicContact CB-CG2 3.9Å; F78-I469 HydrophobicContact CD2-CB 4.44Å; F78-I469 HydrophobicContact CD2-CG2 3.81Å; F78-I469 HydrophobicContact CG-CG2 4.28Å
79	Y	98.7	Very high	98.2	Very high	62 Å²	62	40.3 Å²	40.3	24%	0.243	21%	0.208	C	C	.	.	H	α-helix	trans	-68.4	-27.6	-176.5	-75.4	-65.7	0	0	0	113.3	K75 Y82 N83 N125	K75-Y79 WeakPolarHBondContact O-CD2 3.26Å; K75-Y79 PolarHBondContact O-N 3.25Å; Y79-Y82 HydrophobicContact CD1-CD1 4.45Å; Y79-N83 WeakPolarHBondContact O-CB 3.47Å; Y79-N83 PolarHBondContact O-N 3.3Å; Y79-N83 PolarHBondContact O-ND2 3.15Å; Y79-N125 WeakPolarHBondContact OH-CB 3.46Å; Y79-N125 PolarHBondContact OH-ND2 2.82Å
80	H	98.8	Very high	98.1	Very high	50 Å²	50	41.2 Å²	41.2	23%	0.231	20%	0.202	C	C	.	.	H	α-helix	trans	-61	-50.1	170.2	-179.5	66.1	0	0	0	111.2	S76 M77 F78 S84 T441 P442 G444 Y445	S76-H80 WeakPolarHBondContact O-CB 3.45Å; S76-H80 PolarHBondContact O-N 3.48Å; M77-H80 PolarHBondContact O-N 3.03Å; F78-H80 VanDerWaalsContact C-N 3.28Å; F78-H80 PolarHBondContact O-N 3.44Å; H80-S84 VanDerWaalsContact O-CB 3.25Å; H80-S84 WeakPolarHBondContact O-CB 3.42Å; H80-S84 PolarHBondContact O-N 3.38Å; H80-S84 PolarHBondContact O-OG 2.67Å; H80-T441 PolarHBondContact CE1-O 3.19Å; H80-T441 PolarHBondContact NE2-O 3.39Å; H80-P442 PolarHBondContact CE1-O 3.4Å; H80-G444 PolarHBondContact NE2-N 2.66Å; H80-G444 PolarHBondContact NE2-O 2.76Å; H80-Y445 HydrophobicContact CB-CE2 4.36Å; H80-Y445 AromaticContact CD2-CE2 3.6Å
81	A	98.5	Very high	97.8	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-68.8	-51.9	178.1	0	0	0	0	0	112.9	M77 F78 N83 S84 Y85 Y445 M460 F464 L465	M77-A81 PolarHBondContact O-N 2.98Å; M77-A81 VanDerWaalsContact O-N 3.11Å; F78-A81 PolarHBondContact O-N 2.84Å; F78-A81 VanDerWaalsContact O-N 3.16Å; A81-N83 PolarHBondContact O-N 3.36Å; A81-S84 WeakPolarHBondContact O-CB 3.3Å; A81-S84 PolarHBondContact O-N 2.85Å; A81-S84 VanDerWaalsContact O-N 3.15Å; A81-Y85 PolarHBondContact O-N 3.22Å; A81-Y445 HydrophobicContact CB-CD2 4.03Å; A81-Y445 HydrophobicContact CB-CE2 4.46Å; A81-M460 HydrophobicContact CB-CE 3.96Å; A81-M460 HydrophobicContact CB-SD 3.72Å; A81-F464 HydrophobicContact CB-CD1 4.33Å; A81-F464 HydrophobicContact CB-CE1 4.06Å; A81-L465 HydrophobicContact CB-CD2 3.64Å; A81-L465 HydrophobicContact CB-CG 4.34Å
82	Y	98.6	Very high	97.6	Very high	1 Å²	1	48 Å²	48	0%	0.004	24%	0.237	C	C	.	.	H	α-helix	trans	-60.7	-46.7	-176.9	178.6	-99.1	0	0	0	112.2	F78 Y79 S84 Y85 L86 L113 A116 L120 E128 V132 L465	F78-Y82 HydrophobicContact CE1-CD1 4.29Å; F78-Y82 HydrophobicContact CE1-CD2 4.24Å; F78-Y82 AromaticContact CE1-CG 3.85Å; F78-Y82 HydrophobicContact CE1-CG 3.85Å; F78-Y82 HydrophobicContact CZ-CD2 4.07Å; F78-Y82 HydrophobicContact CZ-CG 4.14Å; F78-Y82 VanDerWaalsContact O-CB 3.23Å; F78-Y82 WeakPolarHBondContact O-CB 3.46Å; F78-Y82 PolarHBondContact O-N 2.79Å; Y79-Y82 HydrophobicContact CD1-CD1 4.45Å; Y82-S84 VanDerWaalsContact C-N 3.31Å; Y82-S84 PolarHBondContact O-N 3.36Å; Y82-Y85 WeakPolarHBondContact O-CB 3.03Å; Y82-Y85 PolarHBondContact O-N 3.33Å; Y82-L86 HydrophobicContact CD1-CD1 4.01Å; Y82-L86 HydrophobicContact CD1-CG 4.46Å; Y82-L86 HydrophobicContact CE1-CD1 3.35Å; Y82-L86 HydrophobicContact CE1-CG 4.04Å; Y82-L86 PolarHBondContact O-N 3.33Å; Y82-L113 HydrophobicContact CE2-CD1 4.21Å; Y82-A116 HydrophobicContact CD2-CB 4.33Å; Y82-A116 HydrophobicContact CE2-CB 4.48Å; Y82-L120 HydrophobicContact CE1-CD2 4.25Å; Y82-L120 HydrophobicContact CE2-CD1 4.47Å; Y82-L120 HydrophobicContact CE2-CD2 4.4Å; Y82-E128 HydrophobicContact CE1-CG 3.99Å; Y82-E128 VanDerWaalsContact CE1-OE1 3.24Å; Y82-E128 WeakPolarHBondContact CE1-OE1 3.24Å; Y82-E128 PolarHBondContact OH-OE1 3.07Å; Y82-V132 VanDerWaalsContact OH-CG2 3.3Å; Y82-V132 WeakPolarHBondContact OH-CG2 3.43Å; Y82-L465 HydrophobicContact CD2-CD1 4.44Å
83	N	98.4	Very high	97.3	Very high	73 Å²	73	42.6 Å²	42.6	39%	0.39	21%	0.212	S	C	.	.	H	α-helix	trans	-68.2	-33.6	176.7	-64.3	-28	0	0	0	111.6	Y79 A81 Y85 L86 N87	Y79-N83 WeakPolarHBondContact O-CB 3.47Å; Y79-N83 PolarHBondContact O-N 3.3Å; Y79-N83 PolarHBondContact O-ND2 3.15Å; A81-N83 PolarHBondContact O-N 3.36Å; N83-Y85 VanDerWaalsContact C-N 3.33Å; N83-L86 PolarHBondContact O-N 3.26Å; N83-N87 WeakPolarHBondContact O-CB 3.45Å; N83-N87 PolarHBondContact O-N 3Å; N83-N87 PolarHBondContact O-ND2 3.49Å
84	S	98.4	Very high	97.2	Very high	12 Å²	12	38.5 Å²	38.5	8%	0.084	20%	0.196	C	C	.	.	H	α-helix	trans	-65	-39	174.2	-62.9	0	0	0	0	111.6	H80 A81 Y82 N88 C443 G444	H80-S84 VanDerWaalsContact O-CB 3.25Å; H80-S84 WeakPolarHBondContact O-CB 3.42Å; H80-S84 PolarHBondContact O-N 3.38Å; H80-S84 PolarHBondContact O-OG 2.67Å; A81-S84 WeakPolarHBondContact O-CB 3.3Å; A81-S84 PolarHBondContact O-N 2.85Å; A81-S84 VanDerWaalsContact O-N 3.15Å; Y82-S84 VanDerWaalsContact C-N 3.31Å; Y82-S84 PolarHBondContact O-N 3.36Å; S84-N88 VanDerWaalsContact O-CB 3.28Å; S84-N88 WeakPolarHBondContact O-CB 3.45Å; S84-N88 PolarHBondContact O-N 2.85Å; S84-N88 PolarHBondContact O-ND2 3.26Å; S84-C443 VanDerWaalsContact CB-O 3.3Å; S84-C443 WeakPolarHBondContact CB-O 3.39Å; S84-G444 PolarHBondContact OG-N 2.89Å
85	Y	98.1	Very high	97.1	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-61.8	-51.7	172.3	166.5	-100.2	0	0	0	111.2	A81 Y82 N83 N87 N88 A89 F90 Y92 L95 T112 L113	A81-Y85 PolarHBondContact O-N 3.22Å; Y82-Y85 WeakPolarHBondContact O-CB 3.03Å; Y82-Y85 PolarHBondContact O-N 3.33Å; N83-Y85 VanDerWaalsContact C-N 3.33Å; Y85-N87 VanDerWaalsContact C-N 3.27Å; Y85-N87 PolarHBondContact O-N 3.03Å; Y85-N88 PolarHBondContact O-N 3.24Å; Y85-A89 HydrophobicContact CD2-CB 3.64Å; Y85-A89 HydrophobicContact CE2-CB 4.05Å; Y85-A89 CarbonylContact O-C 3.52Å; Y85-A89 WeakPolarHBondContact O-CA 3.41Å; Y85-A89 PolarHBondContact O-N 3.27Å; Y85-F90 HydrophobicContact CE1-CB 4.25Å; Y85-F90 HydrophobicContact CE1-CD2 4.41Å; Y85-F90 PolarHBondContact O-N 3.43Å; Y85-Y92 VanDerWaalsContact CE2-O 3.29Å; Y85-Y92 WeakPolarHBondContact CE2-O 3.43Å; Y85-Y92 PolarHBondContact OH-O 3.41Å; Y85-L95 HydrophobicContact CD2-CB 4.33Å; Y85-T112 HydrophobicContact CD1-CG2 3.86Å; Y85-T112 HydrophobicContact CD2-CG2 3.84Å; Y85-T112 HydrophobicContact CE1-CG2 4.01Å; Y85-T112 HydrophobicContact CE2-CG2 4.01Å; Y85-T112 HydrophobicContact CG-CG2 3.77Å; Y85-L113 HydrophobicContact CE1-CB 4.18Å
86	L	97.1	Very high	97.1	Very high	42 Å²	42	39.8 Å²	39.8	22%	0.22	20%	0.2	C	C	.	.	H	α-helix	trans	-58.7	-37.7	179.4	-71.3	-176.9	0	0	0	113.2	Y82 N83 F90 L113	Y82-L86 HydrophobicContact CD1-CD1 4.01Å; Y82-L86 HydrophobicContact CD1-CG 4.46Å; Y82-L86 HydrophobicContact CE1-CD1 3.35Å; Y82-L86 HydrophobicContact CE1-CG 4.04Å; Y82-L86 PolarHBondContact O-N 3.33Å; N83-L86 PolarHBondContact O-N 3.26Å; L86-F90 HydrophobicContact CD2-CB 4.43Å; L86-L113 HydrophobicContact CD2-CD1 4.27Å
87	N	97.6	Very high	97	Very high	131 Å²	131	36.9 Å²	36.9	70%	0.701	18%	0.179	S	C	*	.	H	α-helix	trans	-80.4	-28.8	-176.6	-69.9	-31.8	0	0	0	113.8	N83 Y85	N83-N87 WeakPolarHBondContact O-CB 3.45Å; N83-N87 PolarHBondContact O-N 3Å; N83-N87 PolarHBondContact O-ND2 3.49Å; Y85-N87 VanDerWaalsContact C-N 3.27Å; Y85-N87 PolarHBondContact O-N 3.03Å
88	N	97.4	Very high	97	Very high	61 Å²	61	40.8 Å²	40.8	33%	0.326	20%	0.2	S	C	.	.	H	α-helix	trans	-122.6	-24.2	-166.8	-58	-67.8	0	0	0	114.5	S84 Y85 L95 C100 D101 G102	S84-N88 VanDerWaalsContact O-CB 3.28Å; S84-N88 WeakPolarHBondContact O-CB 3.45Å; S84-N88 PolarHBondContact O-N 2.85Å; S84-N88 PolarHBondContact O-ND2 3.26Å; Y85-N88 PolarHBondContact O-N 3.24Å; N88-L95 HydrophobicContact CB-CD1 3.96Å; N88-C100 WeakPolarHBondContact CB-O 3.23Å; N88-D101 CarbonylContact O-C 3.58Å; N88-D101 WeakPolarHBondContact O-CA 3.44Å; N88-G102 PolarHBondContact O-N 3.01Å
89	A	96.5	Very high	96.9	Very high	1 Å²	1	44.5 Å²	44.5	1%	0.008	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-124.1	-28.2	-170.7	0	0	0	0	0	114	Y85 Y92 L95	Y85-A89 HydrophobicContact CD2-CB 3.64Å; Y85-A89 HydrophobicContact CE2-CB 4.05Å; Y85-A89 CarbonylContact O-C 3.52Å; Y85-A89 WeakPolarHBondContact O-CA 3.41Å; Y85-A89 PolarHBondContact O-N 3.27Å; A89-Y92 WeakPolarHBondContact O-CA 3.35Å; A89-Y92 WeakPolarHBondContact O-CB 3.23Å; A89-Y92 WeakPolarHBondContact O-CD2 3.25Å; A89-Y92 PolarHBondContact O-N 2.83Å; A89-L95 HydrophobicContact CB-CB 3.95Å; A89-L95 HydrophobicContact CB-CD1 3.72Å; A89-L95 HydrophobicContact CB-CG 4.44Å
90	F	94.1	Very high	96.9	Very high	74 Å²	74	43.6 Å²	43.6	33%	0.325	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.7	131.7	174.4	177.2	-96.1	0	0	0	110.7	Y85 L86 L113 L135	Y85-F90 HydrophobicContact CE1-CB 4.25Å; Y85-F90 HydrophobicContact CE1-CD2 4.41Å; Y85-F90 PolarHBondContact O-N 3.43Å; L86-F90 HydrophobicContact CD2-CB 4.43Å; F90-L113 HydrophobicContact CD2-CD2 4.14Å; F90-L113 HydrophobicContact CE2-CD2 3.72Å; F90-L135 HydrophobicContact CE2-CD2 4.19Å; F90-L135 HydrophobicContact CZ-CD2 3.88Å
91	P	92.3	Very high	96.8	Very high	76 Å²	76	43.8 Å²	43.8	49%	0.494	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	cis	-97.2	11.5	11.8	39.4	-37.2	0	0	0	116.3	S110	P91-S110 WeakPolarHBondContact O-CA 3.25Å; P91-S110 PolarHBondContact O-OG 3.02Å
92	Y	93.8	Very high	96.6	Very high	113 Å²	113	44.2 Å²	44.2	44%	0.443	23%	0.232	S	C	.	.	S	Bend	trans	-62.8	161.2	177.2	-60.6	-75.4	0	0	0	112.1	Y85 A89 E94 D104	Y85-Y92 VanDerWaalsContact CE2-O 3.29Å; Y85-Y92 WeakPolarHBondContact CE2-O 3.43Å; Y85-Y92 PolarHBondContact OH-O 3.41Å; A89-Y92 WeakPolarHBondContact O-CA 3.35Å; A89-Y92 WeakPolarHBondContact O-CB 3.23Å; A89-Y92 WeakPolarHBondContact O-CD2 3.25Å; A89-Y92 PolarHBondContact O-N 2.83Å; Y92-E94 PolarHBondContact O-N 3.44Å; Y92-D104 WeakPolarHBondContact CA-OD1 3.49Å; Y92-D104 WeakPolarHBondContact CD1-OD1 3.3Å
93	D	93	Very high	96.4	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	24%	0.242	C	C	.	.	S	Bend	trans	-62	-42.6	-176.4	-70.3	-26.5	0	0	0	113.7	H103 D104 T105 W106 G107 S108 F109 S110 L111 T112	D93-H103 PolarHBondContact N-O 2.81Å; D93-D104 PolarHBondContact N-OD1 3.41Å; D93-T105 PolarHBondContact OD2-N 3.1Å; D93-W106 PolarHBondContact OD2-N 3.36Å; D93-G107 PolarHBondContact OD2-N 3.26Å; D93-S108 WeakPolarHBondContact OD1-CA 3.39Å; D93-S108 PolarHBondContact OD1-N 2.92Å; D93-S108 PolarHBondContact OD2-N 2.96Å; D93-S108 VanDerWaalsContact OD2-N 3.09Å; D93-F109 PolarHBondContact OD1-N 3.11Å; D93-S110 PolarHBondContact OD1-N 3.15Å; D93-L111 HydrophobicContact CB-CB 3.76Å; D93-L111 PolarHBondContact OD1-N 3.11Å; D93-T112 VanDerWaalsContact O-CB 3.26Å; D93-T112 WeakPolarHBondContact O-CB 3.12Å; D93-T112 PolarHBondContact O-N 3.43Å; D93-T112 PolarHBondContact O-OG1 3.01Å
94	E	95.4	Very high	95.9	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	153.4	-170	-72.2	-177.2	158.4	0	0	113.6	Y92 G102 H103 T105 R459 E461 S462	Y92-E94 PolarHBondContact O-N 3.44Å; E94-G102 WeakPolarHBondContact O-CA 3.43Å; E94-H103 WeakPolarHBondContact CB-CE1 3.07Å; E94-H103 PolarHBondContact N-O 3.35Å; E94-H103 PolarHBondContact O-N 3.47Å; E94-H103 PolarHBondContact O-ND1 3.37Å; E94-H103 IonicContact OE2-CE1 3.57Å; E94-H103 PolarHBondContact OE2-CE1 3.15Å; E94-H103 VanDerWaalsContact OE2-CE1 3.29Å; E94-H103 IonicContact OE2-NE2 3.07Å; E94-T105 PolarHBondContact OE2-OG1 3.42Å; E94-R459 IonicContact OE1-NH2 3.29Å; E94-R459 PolarHBondContact OE1-NH2 3.28Å; E94-R459 IonicContact OE2-CZ 3.11Å; E94-R459 IonicContact OE2-NE 2.98Å; E94-R459 PolarHBondContact OE2-NE 3.3Å; E94-R459 IonicContact OE2-NH2 3.27Å; E94-R459 PolarHBondContact OE2-NH2 3.21Å; E94-E461 WeakPolarHBondContact OE1-CA 3.35Å; E94-S462 PolarHBondContact OE1-N 3.09Å
95	L	97.8	Very high	95	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	138.9	178.6	177.7	63	0	0	0	111.6	Y85 N88 A89 P97 C443 M460	Y85-L95 HydrophobicContact CD2-CB 4.33Å; N88-L95 HydrophobicContact CB-CD1 3.96Å; A89-L95 HydrophobicContact CB-CB 3.95Å; A89-L95 HydrophobicContact CB-CD1 3.72Å; A89-L95 HydrophobicContact CB-CG 4.44Å; L95-P97 VanDerWaalsContact O-CD 3.29Å; L95-P97 WeakPolarHBondContact O-CD 3.39Å; L95-C443 WeakPolarHBondContact CD2-O 3.49Å; L95-M460 HydrophobicContact CB-CB 4.32Å; L95-M460 HydrophobicContact CB-CE 3.92Å; L95-M460 HydrophobicContact CD2-CE 3.6Å; L95-M460 HydrophobicContact CD2-SD 4.06Å; L95-M460 HydrophobicContact CG-CE 4.37Å; L95-M460 WeakPolarHBondContact O-CB 3.47Å; L95-M460 PolarHBondContact O-N 3.05Å
96	R	97.9	Very high	93.6	Very high	77 Å²	77	51.5 Å²	51.5	29%	0.291	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	95.1	167.5	-68.1	-169.3	-68.8	166.4	-6.6	109.3	L98 T99 C100 D101 G102 N458	R96-L98 VanDerWaalsContact C-N 3.32Å; R96-L98 PolarHBondContact O-N 2.59Å; R96-T99 WeakPolarHBondContact CB-OG1 3.19Å; R96-T99 PolarHBondContact O-N 2.93Å; R96-C100 WeakPolarHBondContact O-CA 3.43Å; R96-C100 PolarHBondContact O-N 3.41Å; R96-D101 WeakPolarHBondContact CB-O 3.45Å; R96-D101 WeakPolarHBondContact CB-OD1 3.42Å; R96-D101 IonicContact CZ-OD1 3.05Å; R96-D101 IonicContact CZ-OD2 3.47Å; R96-D101 VanDerWaalsContact CZ-OD2 3.31Å; R96-D101 PolarHBondContact N-O 2.85Å; R96-D101 IonicContact NE-OD1 3.43Å; R96-D101 PolarHBondContact NE-OD1 3.05Å; R96-D101 IonicContact NE-OD2 2.76Å; R96-D101 IonicContact NH1-OD2 3.77Å; R96-D101 IonicContact NH2-OD1 3.65Å; R96-D101 PolarHBondContact NH2-OD1 3.33Å; R96-D101 IonicContact NH2-OD2 3.26Å; R96-D101 PolarHBondContact NH2-OD2 3.43Å; R96-D101 PolarHBondContact O-N 2.69Å; R96-G102 PolarHBondContact NH2-O 3.01Å; R96-N458 WeakPolarHBondContact CB-OD1 3.39Å; R96-N458 VanDerWaalsContact CG-O 3.3Å; R96-N458 WeakPolarHBondContact CG-O 3.48Å
97	P	97.6	Very high	92	Very high	1 Å²	1	49.8 Å²	49.8	1%	0.006	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.5	-14.8	-163.4	28.8	-37.3	0	0	0	114.7	L95 T441 A446 M460	L95-P97 VanDerWaalsContact O-CD 3.29Å; L95-P97 WeakPolarHBondContact O-CD 3.39Å; P97-T441 HydrophobicContact CB-CG2 4.25Å; P97-T441 WeakPolarHBondContact CB-OG1 3.39Å; P97-T441 PolarHBondContact O-OG1 3.5Å; P97-A446 HydrophobicContact CG-CB 3.72Å; P97-M460 HydrophobicContact CG-CB 4.18Å
98	L	97.9	Very high	91.2	Very high	83 Å²	83	46.6 Å²	46.6	44%	0.435	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.3	-34.7	175	-53.9	179.6	0	0	0	112	R96 T441 A446 L456 N458	R96-L98 VanDerWaalsContact C-N 3.32Å; R96-L98 PolarHBondContact O-N 2.59Å; L98-T441 HydrophobicContact CD2-CG2 3.69Å; L98-A446 HydrophobicContact CD2-CB 4.29Å; L98-L456 HydrophobicContact CD1-CB 4.06Å; L98-L456 HydrophobicContact CD2-CB 4.19Å; L98-L456 HydrophobicContact CD2-CD1 3.86Å; L98-N458 WeakPolarHBondContact CA-OD1 3.15Å; L98-N458 HydrophobicContact CB-CB 4.22Å; L98-N458 VanDerWaalsContact CB-OD1 3.23Å; L98-N458 WeakPolarHBondContact CB-OD1 3.31Å; L98-N458 HydrophobicContact CD1-CB 3.94Å; L98-N458 HydrophobicContact CG-CB 4.21Å; L98-N458 PolarHBondContact N-OD1 2.63Å
99	T	97.8	Very high	90.4	Very high	77 Å²	77	44.1 Å²	44.1	47%	0.472	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.3	-10.4	178.6	44.8	0	0	0	0	113.6	R96 D101 N458	R96-T99 WeakPolarHBondContact CB-OG1 3.19Å; R96-T99 PolarHBondContact O-N 2.93Å; T99-D101 WeakPolarHBondContact CB-OD1 3.5Å; T99-D101 PolarHBondContact OG1-OD1 2.93Å; T99-N458 WeakPolarHBondContact CG2-ND2 3.17Å; T99-N458 PolarHBondContact N-OD1 3.43Å; T99-N458 PolarHBondContact OG1-ND2 3.18Å
100	C	97.6	Very high	89.9	Confident	44 Å²	44	44.5 Å²	44.5	30%	0.297	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.6	49.9	-178	-49.1	0	0	0	0	111.9	N88 R96 C443	N88-C100 WeakPolarHBondContact CB-O 3.23Å; R96-C100 WeakPolarHBondContact O-CA 3.43Å; R96-C100 PolarHBondContact O-N 3.41Å; C100-C443 HydrophobicContact CB-CB 3.75Å; C100-C443 WeakPolarHBondContact CB-SG 3.45Å; C100-C443 WeakPolarHBondContact SG-CB 3.39Å; C100-C443 CovalentContact SG-SG 2.03Å; C100-C443 PolarHBondContact SG-SG 3.15Å
101	D	97.1	Very high	89.7	Confident	54 Å²	54	41 Å²	41	29%	0.289	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	170	175.6	63.2	-8.7	0	0	0	111.6	N88 R96 T99	N88-D101 CarbonylContact O-C 3.58Å; N88-D101 WeakPolarHBondContact O-CA 3.44Å; R96-D101 WeakPolarHBondContact CB-O 3.45Å; R96-D101 WeakPolarHBondContact CB-OD1 3.42Å; R96-D101 IonicContact CZ-OD1 3.05Å; R96-D101 IonicContact CZ-OD2 3.47Å; R96-D101 VanDerWaalsContact CZ-OD2 3.31Å; R96-D101 PolarHBondContact N-O 2.85Å; R96-D101 IonicContact NE-OD1 3.43Å; R96-D101 PolarHBondContact NE-OD1 3.05Å; R96-D101 IonicContact NE-OD2 2.76Å; R96-D101 IonicContact NH1-OD2 3.77Å; R96-D101 IonicContact NH2-OD1 3.65Å; R96-D101 PolarHBondContact NH2-OD1 3.33Å; R96-D101 IonicContact NH2-OD2 3.26Å; R96-D101 PolarHBondContact NH2-OD2 3.43Å; R96-D101 PolarHBondContact O-N 2.69Å; T99-D101 WeakPolarHBondContact CB-OD1 3.5Å; T99-D101 PolarHBondContact OG1-OD1 2.93Å
102	G	94.8	Very high	89.8	Confident	8 Å²	8	37.4 Å²	37.4	8%	0.082	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	165.6	178.4	0	0	0	0	0	114.1	N88 E94 R96	N88-G102 PolarHBondContact O-N 3.01Å; E94-G102 WeakPolarHBondContact O-CA 3.43Å; R96-G102 PolarHBondContact NH2-O 3.01Å
103	H	93.5	Very high	89.8	Confident	48 Å²	48	32 Å²	32	22%	0.222	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.1	154.8	163.9	76.4	-54.8	0	0	0	111.2	D93 E94 T105	D93-H103 PolarHBondContact N-O 2.81Å; E94-H103 WeakPolarHBondContact CB-CE1 3.07Å; E94-H103 PolarHBondContact N-O 3.35Å; E94-H103 PolarHBondContact O-N 3.47Å; E94-H103 PolarHBondContact O-ND1 3.37Å; E94-H103 IonicContact OE2-CE1 3.57Å; E94-H103 PolarHBondContact OE2-CE1 3.15Å; E94-H103 VanDerWaalsContact OE2-CE1 3.29Å; E94-H103 IonicContact OE2-NE2 3.07Å; H103-T105 PolarHBondContact NE2-OG1 3.09Å
104	D	89	Confident	89.9	Confident	70 Å²	70	32.1 Å²	32.1	37%	0.374	17%	0.173	S	C	.	.			trans	-91.9	140.6	174	-69.7	-32.2	0	0	0	111	Y92 D93 S108	Y92-D104 WeakPolarHBondContact CA-OD1 3.49Å; Y92-D104 WeakPolarHBondContact CD1-OD1 3.3Å; D93-D104 PolarHBondContact N-OD1 3.41Å; D104-S108 WeakPolarHBondContact OD2-CB 3.44Å; D104-S108 PolarHBondContact OD2-OG 3.23Å
105	T	79.5	Confident	89.9	Confident	39 Å²	39	32.1 Å²	32.1	24%	0.239	17%	0.173	C	C	.	.	S	Bend	trans	-123.2	-46.6	-173.8	-44.2	0	0	0	0	110.6	D93 E94 H103 R459	D93-T105 PolarHBondContact OD2-N 3.1Å; E94-T105 PolarHBondContact OE2-OG1 3.42Å; H103-T105 PolarHBondContact NE2-OG1 3.09Å; T105-R459 VanDerWaalsContact CG2-NH2 3.29Å
106	W	67.4	Low	89.9	Confident	83 Å²	83	32.1 Å²	32.1	31%	0.314	17%	0.173	S	C	.	.	S	Bend	trans	-135.2	11.5	-164	-65.4	122.3	0	0	0	116.2	D93 F109 L111 E152	D93-W106 PolarHBondContact OD2-N 3.36Å; W106-F109 HydrophobicContact CB-CZ 4.16Å; W106-F109 WeakPolarHBondContact O-CE1 3.47Å; W106-F109 WeakPolarHBondContact O-CZ 3.43Å; W106-L111 HydrophobicContact CB-CD2 4.34Å; W106-L111 HydrophobicContact CG-CD2 4.46Å; W106-E152 HydrophobicContact CD2-CB 4.36Å; W106-E152 HydrophobicContact CD2-CG 4.19Å; W106-E152 HydrophobicContact CE3-CG 4.5Å; W106-E152 HydrophobicContact CG-CB 4.46Å; W106-E152 HydrophobicContact CH2-CG 4.48Å; W106-E152 HydrophobicContact CZ2-CG 4.16Å
107	G	64.8	Low	89.9	Confident	5 Å²	5	28.4 Å²	28.4	5%	0.052	16%	0.159	C	C	.	.	S	Bend	trans	145.3	7.9	170.9	0	0	0	0	0	115.2	D93 F109 I144	D93-G107 PolarHBondContact OD2-N 3.26Å; G107-F109 VanDerWaalsContact C-N 3.34Å; G107-F109 PolarHBondContact O-N 2.94Å; G107-I144 WeakPolarHBondContact O-CD1 3.34Å
108	S	79.9	Confident	89.9	Confident	64 Å²	64	28.4 Å²	28.4	45%	0.448	16%	0.159	S	C	.	.	S	Bend	trans	60.6	39	175.6	-51	0	0	0	0	113.3	D93 D104	D93-S108 WeakPolarHBondContact OD1-CA 3.39Å; D93-S108 PolarHBondContact OD1-N 2.92Å; D93-S108 PolarHBondContact OD2-N 2.96Å; D93-S108 VanDerWaalsContact OD2-N 3.09Å; D104-S108 WeakPolarHBondContact OD2-CB 3.44Å; D104-S108 PolarHBondContact OD2-OG 3.23Å
109	F	79.8	Confident	89.9	Confident	10 Å²	10	24.5 Å²	24.5	4%	0.044	14%	0.139	C	C	.	.	S	Bend	trans	-109.2	24.4	-179.1	45.4	-110.1	0	0	0	112.7	D93 W106 G107 L111 I114 V157	D93-F109 PolarHBondContact OD1-N 3.11Å; W106-F109 HydrophobicContact CB-CZ 4.16Å; W106-F109 WeakPolarHBondContact O-CE1 3.47Å; W106-F109 WeakPolarHBondContact O-CZ 3.43Å; G107-F109 VanDerWaalsContact C-N 3.34Å; G107-F109 PolarHBondContact O-N 2.94Å; F109-L111 VanDerWaalsContact C-N 3.34Å; F109-L111 HydrophobicContact CD2-CB 4.06Å; F109-L111 HydrophobicContact CE2-CB 3.65Å; F109-L111 HydrophobicContact CE2-CD1 3.61Å; F109-L111 HydrophobicContact CE2-CG 4.13Å; F109-L111 HydrophobicContact CZ-CD1 4.41Å; F109-L111 PolarHBondContact O-N 3.05Å; F109-I114 HydrophobicContact CD2-CD1 4.08Å; F109-V157 HydrophobicContact CD2-CG2 3.71Å; F109-V157 HydrophobicContact CE1-CG2 4.17Å; F109-V157 HydrophobicContact CE2-CG2 3.15Å; F109-V157 HydrophobicContact CG-CG2 4.43Å; F109-V157 HydrophobicContact CZ-CG2 3.43Å; F109-V157 VanDerWaalsContact CZ-CG2 3.43Å
110	S	86.5	Confident	89.9	Confident	9 Å²	9	20.8 Å²	20.8	6%	0.063	12%	0.116	C	C	.	.			trans	56.2	47.6	-175.2	-59.5	0	0	0	0	111.7	P91 D93 T112 L113 I114	P91-S110 WeakPolarHBondContact O-CA 3.25Å; P91-S110 PolarHBondContact O-OG 3.02Å; D93-S110 PolarHBondContact OD1-N 3.15Å; S110-T112 VanDerWaalsContact C-N 3.33Å; S110-T112 PolarHBondContact O-N 2.81Å; S110-T112 VanDerWaalsContact O-N 3.15Å; S110-L113 WeakPolarHBondContact O-CA 3.17Å; S110-L113 WeakPolarHBondContact O-CB 3.26Å; S110-L113 PolarHBondContact O-N 3.4Å; S110-I114 PolarHBondContact O-N 3.5Å
111	L	90.1	Very high	89.9	Confident	0 Å²	0	19 Å²	19	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-42.3	-52.5	-173.2	173.9	59.1	0	0	0	114.2	D93 W106 F109 L113 I114 D115 R156 V157	D93-L111 HydrophobicContact CB-CB 3.76Å; D93-L111 PolarHBondContact OD1-N 3.11Å; W106-L111 HydrophobicContact CB-CD2 4.34Å; W106-L111 HydrophobicContact CG-CD2 4.46Å; F109-L111 VanDerWaalsContact C-N 3.34Å; F109-L111 HydrophobicContact CD2-CB 4.06Å; F109-L111 HydrophobicContact CE2-CB 3.65Å; F109-L111 HydrophobicContact CE2-CD1 3.61Å; F109-L111 HydrophobicContact CE2-CG 4.13Å; F109-L111 HydrophobicContact CZ-CD1 4.41Å; F109-L111 PolarHBondContact O-N 3.05Å; L111-L113 PolarHBondContact O-N 3.22Å; L111-L113 VanDerWaalsContact O-N 3.11Å; L111-I114 PolarHBondContact O-N 3.32Å; L111-D115 WeakPolarHBondContact O-CB 3.38Å; L111-D115 PolarHBondContact O-N 2.86Å; L111-R156 HydrophobicContact CD1-CB 3.6Å; L111-R156 VanDerWaalsContact CD1-CD 3.5Å; L111-R156 HydrophobicContact CD1-CG 4.09Å; L111-V157 HydrophobicContact CD1-CG2 4.49Å
112	T	94.1	Very high	89.9	Confident	0 Å²	0	16.5 Å²	16.5	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-55.7	-32.1	179.4	-65.1	0	0	0	0	113.2	Y85 D93 S110 A116 S462 L465	Y85-T112 HydrophobicContact CD1-CG2 3.86Å; Y85-T112 HydrophobicContact CD2-CG2 3.84Å; Y85-T112 HydrophobicContact CE1-CG2 4.01Å; Y85-T112 HydrophobicContact CE2-CG2 4.01Å; Y85-T112 HydrophobicContact CG-CG2 3.77Å; D93-T112 VanDerWaalsContact O-CB 3.26Å; D93-T112 WeakPolarHBondContact O-CB 3.12Å; D93-T112 PolarHBondContact O-N 3.43Å; D93-T112 PolarHBondContact O-OG1 3.01Å; S110-T112 VanDerWaalsContact C-N 3.33Å; S110-T112 PolarHBondContact O-N 2.81Å; S110-T112 VanDerWaalsContact O-N 3.15Å; T112-A116 WeakPolarHBondContact O-CB 3.46Å; T112-A116 PolarHBondContact O-N 3.43Å; T112-S462 WeakPolarHBondContact OG1-CB 3.36Å; T112-L465 HydrophobicContact CG2-CD1 3.67Å
113	L	93.9	Very high	90	Very high	1 Å²	1	16.3 Å²	16.3	1%	0.005	9%	0.087	C	C	.	.	H	α-helix	trans	-72.7	-38.1	179.6	-168.3	63.2	0	0	0	112.2	Y82 Y85 L86 F90 S110 L111 L117 V132 L135 L136	Y82-L113 HydrophobicContact CE2-CD1 4.21Å; Y85-L113 HydrophobicContact CE1-CB 4.18Å; L86-L113 HydrophobicContact CD2-CD1 4.27Å; F90-L113 HydrophobicContact CD2-CD2 4.14Å; F90-L113 HydrophobicContact CE2-CD2 3.72Å; S110-L113 WeakPolarHBondContact O-CA 3.17Å; S110-L113 WeakPolarHBondContact O-CB 3.26Å; S110-L113 PolarHBondContact O-N 3.4Å; L111-L113 PolarHBondContact O-N 3.22Å; L111-L113 VanDerWaalsContact O-N 3.11Å; L113-L117 PolarHBondContact O-N 3.33Å; L113-V132 HydrophobicContact CD1-CB 4.29Å; L113-V132 HydrophobicContact CD1-CG1 3.49Å; L113-V132 VanDerWaalsContact CD1-CG1 3.49Å; L113-V132 HydrophobicContact CD1-CG2 3.75Å; L113-V132 HydrophobicContact CD2-CG1 3.97Å; L113-V132 HydrophobicContact CG-CG1 3.45Å; L113-V132 VanDerWaalsContact CG-CG1 3.45Å; L113-L135 HydrophobicContact CD2-CD2 4.04Å; L113-L136 HydrophobicContact CD2-CD2 3.97Å; L113-L136 HydrophobicContact CD2-CG 4.46Å; L113-L136 HydrophobicContact CG-CD2 4.3Å
114	I	95.7	Very high	90.1	Very high	1 Å²	1	16.5 Å²	16.5	1%	0.005	10%	0.102	C	C	.	.	H	α-helix	trans	-68.9	-50.4	174.9	-60.3	178.2	0	0	0	109.4	F109 S110 L111 A116 L117 L136 V157 L161	F109-I114 HydrophobicContact CD2-CD1 4.08Å; S110-I114 PolarHBondContact O-N 3.5Å; L111-I114 PolarHBondContact O-N 3.32Å; I114-A116 VanDerWaalsContact C-N 3.33Å; I114-A116 PolarHBondContact O-N 2.95Å; I114-L117 VanDerWaalsContact O-CB 3.25Å; I114-L117 WeakPolarHBondContact O-CB 3.35Å; I114-L117 PolarHBondContact O-N 3.39Å; I114-L117 VanDerWaalsContact O-N 3.13Å; I114-L136 HydrophobicContact CD1-CD2 4.47Å; I114-L136 HydrophobicContact CG1-CD1 4.04Å; I114-L136 HydrophobicContact CG1-CD2 3.77Å; I114-V157 HydrophobicContact CD1-CG1 4.11Å; I114-V157 HydrophobicContact CD1-CG2 4.49Å; I114-L161 HydrophobicContact CG2-CG 4.24Å
115	D	95.6	Very high	90.6	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-60.2	-38.8	-177.7	-86.9	10.5	0	0	0	112.8	L111 L117 R156 S462 A466 H516	L111-D115 WeakPolarHBondContact O-CB 3.38Å; L111-D115 PolarHBondContact O-N 2.86Å; D115-L117 VanDerWaalsContact C-N 3.33Å; D115-L117 PolarHBondContact O-N 3.29Å; D115-R156 WeakPolarHBondContact OD1-CA 3.28Å; D115-R156 VanDerWaalsContact OD1-CB 3.23Å; D115-R156 WeakPolarHBondContact OD1-CB 3.31Å; D115-R156 IonicContact OD2-NH1 3.35Å; D115-R156 PolarHBondContact OD2-NH1 3.34Å; D115-R156 VanDerWaalsContact OD2-NH1 3.07Å; D115-S462 VanDerWaalsContact OD2-CB 3.23Å; D115-S462 WeakPolarHBondContact OD2-CB 3.27Å; D115-S462 PolarHBondContact OD2-OG 3.42Å; D115-A466 HydrophobicContact CB-CB 3.95Å; D115-A466 WeakPolarHBondContact O-CB 3.5Å; D115-H516 PolarHBondContact O-CE1 3.35Å; D115-H516 IonicContact OD1-NE2 3.62Å
116	A	97.1	Very high	91.4	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	11%	0.105	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.6	-6.5	-179.6	0	0	0	0	0	114	F78 Y82 T112 I114 T119 L120 L465	F78-A116 HydrophobicContact CE2-CB 4.41Å; F78-A116 HydrophobicContact CZ-CB 4.35Å; Y82-A116 HydrophobicContact CD2-CB 4.33Å; Y82-A116 HydrophobicContact CE2-CB 4.48Å; T112-A116 WeakPolarHBondContact O-CB 3.46Å; T112-A116 PolarHBondContact O-N 3.43Å; I114-A116 VanDerWaalsContact C-N 3.33Å; I114-A116 PolarHBondContact O-N 2.95Å; A116-T119 WeakPolarHBondContact O-CB 3.18Å; A116-T119 PolarHBondContact O-N 2.9Å; A116-L120 PolarHBondContact O-N 3.23Å; A116-L120 VanDerWaalsContact O-N 3.08Å; A116-L465 HydrophobicContact CB-CB 4.09Å; A116-L465 HydrophobicContact CB-CD1 4.38Å
117	L	97.3	Very high	92.9	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-61.8	-52.9	-169.1	179.6	53.2	0	0	0	112.1	L113 I114 D115 T119 L120 F129 V132 A133 L136 A164	L113-L117 PolarHBondContact O-N 3.33Å; I114-L117 VanDerWaalsContact O-CB 3.25Å; I114-L117 WeakPolarHBondContact O-CB 3.35Å; I114-L117 PolarHBondContact O-N 3.39Å; I114-L117 VanDerWaalsContact O-N 3.13Å; D115-L117 VanDerWaalsContact C-N 3.33Å; D115-L117 PolarHBondContact O-N 3.29Å; L117-T119 PolarHBondContact O-N 2.89Å; L117-L120 HydrophobicContact CD1-CD1 4.28Å; L117-L120 WeakPolarHBondContact O-CB 3.29Å; L117-L120 PolarHBondContact O-N 3.08Å; L117-F129 HydrophobicContact CD1-CB 4.36Å; L117-F129 HydrophobicContact CD1-CD1 4.42Å; L117-F129 HydrophobicContact CD1-CD2 3.58Å; L117-F129 HydrophobicContact CD1-CE2 3.86Å; L117-F129 HydrophobicContact CD1-CG 3.87Å; L117-F129 HydrophobicContact CD1-CZ 4.4Å; L117-F129 HydrophobicContact CG-CD2 3.99Å; L117-F129 HydrophobicContact CG-CE2 3.78Å; L117-F129 HydrophobicContact CG-CZ 4.32Å; L117-F129 WeakPolarHBondContact O-CD2 3.35Å; L117-V132 HydrophobicContact CD1-CB 3.94Å; L117-V132 HydrophobicContact CD1-CG1 3.83Å; L117-A133 HydrophobicContact CD1-CB 4.49Å; L117-A133 HydrophobicContact CD2-CB 4.32Å; L117-L136 HydrophobicContact CD2-CD1 3.87Å; L117-A164 HydrophobicContact CD2-CB 3.42Å; L117-A164 VanDerWaalsContact CD2-CB 3.42Å; L117-A164 HydrophobicContact CG-CB 3.85Å
118	D	97.8	Very high	94.4	Very high	1 Å²	1	21.4 Å²	21.4	1%	0.005	13%	0.125	C	C	.	.	H	α-helix	trans	-61.7	-33.3	177.2	63.8	-0.6	0	0	0	112.4	L120 L121 V122 L167 K470 H516 P517	D118-L120 VanDerWaalsContact C-N 3.3Å; D118-L120 PolarHBondContact O-N 3.4Å; D118-L121 WeakPolarHBondContact O-CB 3.13Å; D118-L121 PolarHBondContact O-N 3.48Å; D118-V122 WeakPolarHBondContact O-CG2 3.37Å; D118-V122 PolarHBondContact O-N 3.27Å; D118-L167 HydrophobicContact CB-CD1 3.97Å; D118-K470 VanDerWaalsContact OD1-CE 3.29Å; D118-K470 WeakPolarHBondContact OD1-CE 3.49Å; D118-K470 IonicContact OD1-NZ 3.43Å; D118-K470 PolarHBondContact OD1-NZ 2.9Å; D118-K470 IonicContact OD2-NZ 3.16Å; D118-K470 PolarHBondContact OD2-NZ 3.44Å; D118-H516 IonicContact OD1-ND1 3.97Å; D118-H516 WeakPolarHBondContact OD2-CA 3.36Å; D118-H516 IonicContact OD2-CE1 3.23Å; D118-H516 IonicContact OD2-CG 3.79Å; D118-H516 IonicContact OD2-ND1 2.78Å; D118-H516 PolarHBondContact OD2-ND1 3.44Å; D118-P517 WeakPolarHBondContact OD2-CD 3.49Å
119	T	98.4	Very high	95.3	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-65.2	-35.9	179.8	-53.2	0	0	0	0	110.9	F78 A116 L117 L121 V122 L123 L465 K470	F78-T119 HydrophobicContact CD2-CG2 3.9Å; F78-T119 HydrophobicContact CE2-CG2 3.5Å; F78-T119 VanDerWaalsContact CE2-CG2 3.5Å; F78-T119 HydrophobicContact CZ-CG2 4.29Å; A116-T119 WeakPolarHBondContact O-CB 3.18Å; A116-T119 PolarHBondContact O-N 2.9Å; L117-T119 PolarHBondContact O-N 2.89Å; T119-L121 PolarHBondContact O-N 3.18Å; T119-V122 PolarHBondContact O-N 2.91Å; T119-V122 VanDerWaalsContact O-N 3.15Å; T119-L123 HydrophobicContact CG2-CD1 4.1Å; T119-L123 HydrophobicContact CG2-CG 4.19Å; T119-L123 WeakPolarHBondContact O-CG 3.09Å; T119-L123 PolarHBondContact O-N 2.62Å; T119-L465 WeakPolarHBondContact CG2-O 3.36Å; T119-L465 PolarHBondContact OG1-O 3.05Å; T119-K470 HydrophobicContact CG2-CB 4.32Å; T119-K470 WeakPolarHBondContact OG1-CE 3.17Å; T119-K470 PolarHBondContact OG1-NZ 3.03Å
120	L	98.4	Very high	96.1	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-54.7	-42.8	172.2	-68.5	165.8	0	0	0	111.1	F78 Y82 A116 L117 D118 G124 N125 E128 F129 V132	F78-L120 HydrophobicContact CE1-CD2 3.59Å; F78-L120 HydrophobicContact CE1-CG 4.47Å; F78-L120 HydrophobicContact CZ-CD2 3.77Å; F78-L120 HydrophobicContact CZ-CG 4.17Å; Y82-L120 HydrophobicContact CE1-CD2 4.25Å; Y82-L120 HydrophobicContact CE2-CD1 4.47Å; Y82-L120 HydrophobicContact CE2-CD2 4.4Å; A116-L120 PolarHBondContact O-N 3.23Å; A116-L120 VanDerWaalsContact O-N 3.08Å; L117-L120 HydrophobicContact CD1-CD1 4.28Å; L117-L120 WeakPolarHBondContact O-CB 3.29Å; L117-L120 PolarHBondContact O-N 3.08Å; D118-L120 VanDerWaalsContact C-N 3.3Å; D118-L120 PolarHBondContact O-N 3.4Å; L120-G124 PolarHBondContact O-N 3.31Å; L120-N125 WeakPolarHBondContact O-CA 3.41Å; L120-N125 PolarHBondContact O-N 3.19Å; L120-E128 HydrophobicContact CD1-CB 4.35Å; L120-E128 HydrophobicContact CD1-CG 3.77Å; L120-E128 HydrophobicContact CD2-CB 4.12Å; L120-E128 HydrophobicContact CD2-CG 3.67Å; L120-E128 HydrophobicContact CG-CG 4.35Å; L120-F129 HydrophobicContact CB-CB 4.3Å; L120-V132 HydrophobicContact CD1-CB 4.48Å; L120-V132 HydrophobicContact CD1-CG2 4.15Å
121	L	97	Very high	96.6	Very high	5 Å²	5	25.5 Å²	25.5	3%	0.026	13%	0.132	C	C	.	.	H	α-helix	trans	-71.2	-41.3	177	-175	64.4	0	0	0	112.2	D118 T119 L123 G124 R126 F129 L167 R170 A171 F481	D118-L121 WeakPolarHBondContact O-CB 3.13Å; D118-L121 PolarHBondContact O-N 3.48Å; T119-L121 PolarHBondContact O-N 3.18Å; L121-L123 PolarHBondContact O-N 3.04Å; L121-G124 WeakPolarHBondContact O-CA 3.38Å; L121-G124 PolarHBondContact O-N 2.97Å; L121-R126 HydrophobicContact CD1-CG 3.76Å; L121-F129 HydrophobicContact CB-CD2 3.85Å; L121-F129 HydrophobicContact CB-CE2 4.29Å; L121-L167 HydrophobicContact CD2-CB 3.63Å; L121-L167 HydrophobicContact CD2-CD1 4.17Å; L121-L167 HydrophobicContact CD2-CD2 4.1Å; L121-L167 HydrophobicContact CD2-CG 4.18Å; L121-R170 HydrophobicContact CD2-CB 4.2Å; L121-R170 HydrophobicContact CD2-CG 4.22Å; L121-A171 HydrophobicContact CD1-CB 4.07Å; L121-A171 HydrophobicContact CD2-CB 4.29Å; L121-F481 HydrophobicContact CD2-CZ 4.48Å
122	V	97	Very high	97	Very high	2 Å²	2	25.5 Å²	25.5	1%	0.012	13%	0.132	C	C	.	.	H	α-helix	trans	-56.2	-38.9	175.2	174.1	0	0	0	0	111.3	D118 T119 G124 K470 Y473 L474 H480 L482	D118-V122 WeakPolarHBondContact O-CG2 3.37Å; D118-V122 PolarHBondContact O-N 3.27Å; T119-V122 PolarHBondContact O-N 2.91Å; T119-V122 VanDerWaalsContact O-N 3.15Å; V122-G124 PolarHBondContact O-N 2.85Å; V122-K470 HydrophobicContact CG1-CG 4.26Å; V122-K470 HydrophobicContact CG2-CG 4.39Å; V122-Y473 HydrophobicContact CG1-CD1 3.85Å; V122-Y473 HydrophobicContact CG1-CE1 4.4Å; V122-Y473 VanDerWaalsContact O-CE1 3.32Å; V122-Y473 WeakPolarHBondContact O-CE1 3.05Å; V122-L474 HydrophobicContact CG1-CD2 3.98Å; V122-L474 HydrophobicContact CG1-CG 4.19Å; V122-H480 PolarHBondContact O-NE2 2.79Å; V122-H480 VanDerWaalsContact O-NE2 3.13Å; V122-L482 HydrophobicContact CG2-CD1 3.55Å
123	L	97.7	Very high	97.1	Very high	5 Å²	5	25.5 Å²	25.5	3%	0.026	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.2	-2.5	176.9	-59.3	-179.3	0	0	0	113.5	K75 F78 T119 L121 I469 Y473	K75-L123 WeakPolarHBondContact CE-O 3.44Å; K75-L123 HydrophobicContact CG-CB 4.5Å; K75-L123 HydrophobicContact CG-CD2 4.09Å; K75-L123 PolarHBondContact NZ-O 3.29Å; F78-L123 HydrophobicContact CB-CD1 3.56Å; F78-L123 HydrophobicContact CD1-CD1 3.49Å; F78-L123 VanDerWaalsContact CD1-CD1 3.49Å; F78-L123 HydrophobicContact CD2-CD1 3.58Å; F78-L123 HydrophobicContact CE1-CD1 4.06Å; F78-L123 HydrophobicContact CE2-CD1 4.11Å; F78-L123 HydrophobicContact CG-CD1 3.22Å; F78-L123 HydrophobicContact CZ-CD1 4.32Å; T119-L123 HydrophobicContact CG2-CD1 4.1Å; T119-L123 HydrophobicContact CG2-CG 4.19Å; T119-L123 WeakPolarHBondContact O-CG 3.09Å; T119-L123 PolarHBondContact O-N 2.62Å; L121-L123 PolarHBondContact O-N 3.04Å; L123-I469 HydrophobicContact CD1-CG2 4.33Å; L123-Y473 HydrophobicContact CD2-CD1 3.78Å; L123-Y473 HydrophobicContact CD2-CD2 3.36Å; L123-Y473 HydrophobicContact CD2-CE1 4.19Å; L123-Y473 HydrophobicContact CD2-CE2 3.83Å; L123-Y473 HydrophobicContact CD2-CG 3.33Å
124	G	96.2	Very high	97.1	Very high	52 Å²	52	28 Å²	28	54%	0.536	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	88.8	10.7	176.6	0	0	0	0	0	115.6	L120 L121 V122 R126	L120-G124 PolarHBondContact O-N 3.31Å; L121-G124 WeakPolarHBondContact O-CA 3.38Å; L121-G124 PolarHBondContact O-N 2.97Å; V122-G124 PolarHBondContact O-N 2.85Å; G124-R126 PolarHBondContact O-N 3.11Å
125	N	97.7	Very high	97.1	Very high	32 Å²	32	30 Å²	30	17%	0.171	16%	0.159	C	C	.	.			trans	-93.1	77.8	180	-170.7	-7.5	0	0	0	112.4	Y79 L120 T127 E128 F129	Y79-N125 WeakPolarHBondContact OH-CB 3.46Å; Y79-N125 PolarHBondContact OH-ND2 2.82Å; L120-N125 WeakPolarHBondContact O-CA 3.41Å; L120-N125 PolarHBondContact O-N 3.19Å; N125-T127 PolarHBondContact OD1-OG1 3.16Å; N125-E128 HydrophobicContact CB-CB 4.44Å; N125-E128 VanDerWaalsContact ND2-CB 3.26Å; N125-E128 WeakPolarHBondContact ND2-CB 3.17Å; N125-E128 VanDerWaalsContact OD1-CB 3.22Å; N125-E128 WeakPolarHBondContact OD1-CB 3.47Å; N125-E128 PolarHBondContact OD1-N 2.95Å; N125-F129 PolarHBondContact O-N 3.47Å; N125-F129 VanDerWaalsContact O-N 3.17Å
126	R	97.3	Very high	97	Very high	133 Å²	133	30 Å²	30	50%	0.502	16%	0.16	S	C	.	.	H	α-helix	trans	-64.5	-38	178.9	-60.4	-176.1	-176.9	-170.7	-2.6	113	L121 G124 E128 F129 Q130	L121-R126 HydrophobicContact CD1-CG 3.76Å; G124-R126 PolarHBondContact O-N 3.11Å; R126-E128 PolarHBondContact O-N 3.37Å; R126-F129 WeakPolarHBondContact O-CB 3.35Å; R126-F129 PolarHBondContact O-N 2.85Å; R126-Q130 VanDerWaalsContact O-CG 3.22Å; R126-Q130 WeakPolarHBondContact O-CG 3.3Å; R126-Q130 PolarHBondContact O-N 3.47Å
127	T	97.8	Very high	96.9	Very high	104 Å²	104	33.3 Å²	33.3	64%	0.638	18%	0.175	S	C	*	.	H	α-helix	trans	-65.3	-41.6	-177.7	44	0	0	0	0	112	N125 R131	N125-T127 PolarHBondContact OD1-OG1 3.16Å; T127-R131 PolarHBondContact O-N 2.89Å; T127-R131 VanDerWaalsContact O-N 3.09Å
128	E	97.7	Very high	96.6	Very high	30 Å²	30	40 Å²	40	14%	0.14	21%	0.211	C	C	.	.	H	α-helix	trans	-72.7	-38.7	177.7	-174	65.7	173.3	0	0	111.4	Y82 L120 N125 R126 Q130 R131 V132	Y82-E128 HydrophobicContact CE1-CG 3.99Å; Y82-E128 VanDerWaalsContact CE1-OE1 3.24Å; Y82-E128 WeakPolarHBondContact CE1-OE1 3.24Å; Y82-E128 PolarHBondContact OH-OE1 3.07Å; L120-E128 HydrophobicContact CD1-CB 4.35Å; L120-E128 HydrophobicContact CD1-CG 3.77Å; L120-E128 HydrophobicContact CD2-CB 4.12Å; L120-E128 HydrophobicContact CD2-CG 3.67Å; L120-E128 HydrophobicContact CG-CG 4.35Å; N125-E128 HydrophobicContact CB-CB 4.44Å; N125-E128 VanDerWaalsContact ND2-CB 3.26Å; N125-E128 WeakPolarHBondContact ND2-CB 3.17Å; N125-E128 VanDerWaalsContact OD1-CB 3.22Å; N125-E128 WeakPolarHBondContact OD1-CB 3.47Å; N125-E128 PolarHBondContact OD1-N 2.95Å; R126-E128 PolarHBondContact O-N 3.37Å; E128-Q130 VanDerWaalsContact C-N 3.34Å; E128-Q130 PolarHBondContact O-N 3.48Å; E128-R131 PolarHBondContact O-N 2.82Å; E128-R131 IonicContact OE1-CZ 3.44Å; E128-R131 IonicContact OE1-NE 3.46Å; E128-R131 PolarHBondContact OE1-NE 2.98Å; E128-R131 IonicContact OE1-NH2 2.64Å; E128-R131 PolarHBondContact OE1-NH2 3.45Å; E128-R131 IonicContact OE2-CZ 3.56Å; E128-R131 IonicContact OE2-NE 2.76Å; E128-R131 PolarHBondContact OE2-NE 2.7Å; E128-R131 IonicContact OE2-NH2 3.54Å; E128-V132 HydrophobicContact CG-CG2 4.29Å; E128-V132 WeakPolarHBondContact O-CB 3.41Å; E128-V132 VanDerWaalsContact O-CG2 3.3Å; E128-V132 WeakPolarHBondContact O-CG2 3.26Å; E128-V132 PolarHBondContact O-N 2.96Å
129	F	98.2	Very high	96.1	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-52.8	-51.7	171	-179.7	-76.3	0	0	0	111.3	L117 L120 L121 N125 R126 R131 V132 A133 A164 A171 M173	L117-F129 HydrophobicContact CD1-CB 4.36Å; L117-F129 HydrophobicContact CD1-CD1 4.42Å; L117-F129 HydrophobicContact CD1-CD2 3.58Å; L117-F129 HydrophobicContact CD1-CE2 3.86Å; L117-F129 HydrophobicContact CD1-CG 3.87Å; L117-F129 HydrophobicContact CD1-CZ 4.4Å; L117-F129 HydrophobicContact CG-CD2 3.99Å; L117-F129 HydrophobicContact CG-CE2 3.78Å; L117-F129 HydrophobicContact CG-CZ 4.32Å; L117-F129 WeakPolarHBondContact O-CD2 3.35Å; L120-F129 HydrophobicContact CB-CB 4.3Å; L121-F129 HydrophobicContact CB-CD2 3.85Å; L121-F129 HydrophobicContact CB-CE2 4.29Å; N125-F129 PolarHBondContact O-N 3.47Å; N125-F129 VanDerWaalsContact O-N 3.17Å; R126-F129 WeakPolarHBondContact O-CB 3.35Å; R126-F129 PolarHBondContact O-N 2.85Å; F129-R131 VanDerWaalsContact C-N 3.34Å; F129-R131 PolarHBondContact O-N 3.04Å; F129-V132 PolarHBondContact O-N 2.65Å; F129-A133 HydrophobicContact CD1-CB 4.49Å; F129-A133 HydrophobicContact CE1-CB 4.35Å; F129-A133 VanDerWaalsContact O-CB 3.26Å; F129-A133 WeakPolarHBondContact O-CB 3.37Å; F129-A133 PolarHBondContact O-N 2.98Å; F129-A164 HydrophobicContact CE2-CB 4.24Å; F129-A164 HydrophobicContact CZ-CB 4Å; F129-A171 HydrophobicContact CB-CB 4.45Å; F129-A171 HydrophobicContact CD1-CB 3.18Å; F129-A171 HydrophobicContact CD2-CB 4.4Å; F129-A171 HydrophobicContact CE1-CB 3.34Å; F129-A171 HydrophobicContact CG-CB 3.78Å; F129-A171 HydrophobicContact CZ-CB 4.06Å; F129-M173 HydrophobicContact CD1-CG 4.38Å; F129-M173 HydrophobicContact CD1-SD 4.14Å; F129-M173 HydrophobicContact CE1-CG 4.17Å; F129-M173 HydrophobicContact CE1-SD 3.6Å
130	Q	97.7	Very high	95.7	Very high	64 Å²	64	45 Å²	45	30%	0.299	24%	0.242	S	C	.	.	H	α-helix	trans	-60.1	-43.8	180	-70.6	167.6	-6.2	0	0	111.9	R126 E128 S134 A171 G172 M173	R126-Q130 VanDerWaalsContact O-CG 3.22Å; R126-Q130 WeakPolarHBondContact O-CG 3.3Å; R126-Q130 PolarHBondContact O-N 3.47Å; E128-Q130 VanDerWaalsContact C-N 3.34Å; E128-Q130 PolarHBondContact O-N 3.48Å; Q130-S134 WeakPolarHBondContact O-CB 3.27Å; Q130-S134 PolarHBondContact O-N 2.9Å; Q130-S134 PolarHBondContact O-OG 3.14Å; Q130-A171 PolarHBondContact NE2-O 3.17Å; Q130-G172 PolarHBondContact NE2-O 3.1Å; Q130-G172 VanDerWaalsContact NE2-O 3.09Å; Q130-M173 HydrophobicContact CG-CG 4Å
131	R	97.1	Very high	95.3	Very high	106 Å²	106	49.5 Å²	49.5	40%	0.4	27%	0.266	S	S	.	.	H	α-helix	trans	-61.4	-48.2	178.6	-172	-170.4	71.1	74.6	-4.2	111	T127 E128 F129 S134 L135	T127-R131 PolarHBondContact O-N 2.89Å; T127-R131 VanDerWaalsContact O-N 3.09Å; E128-R131 PolarHBondContact O-N 2.82Å; E128-R131 IonicContact OE1-CZ 3.44Å; E128-R131 IonicContact OE1-NE 3.46Å; E128-R131 PolarHBondContact OE1-NE 2.98Å; E128-R131 IonicContact OE1-NH2 2.64Å; E128-R131 PolarHBondContact OE1-NH2 3.45Å; E128-R131 IonicContact OE2-CZ 3.56Å; E128-R131 IonicContact OE2-NE 2.76Å; E128-R131 PolarHBondContact OE2-NE 2.7Å; E128-R131 IonicContact OE2-NH2 3.54Å; F129-R131 VanDerWaalsContact C-N 3.34Å; F129-R131 PolarHBondContact O-N 3.04Å; R131-S134 PolarHBondContact O-N 2.86Å; R131-L135 WeakPolarHBondContact O-CB 3.38Å; R131-L135 PolarHBondContact O-N 3.43Å
132	V	96.5	Very high	95	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-68.8	-45.2	-178.3	172.3	0	0	0	0	111.3	Y82 L113 L117 L120 E128 F129 S134 L135 L136	Y82-V132 VanDerWaalsContact OH-CG2 3.3Å; Y82-V132 WeakPolarHBondContact OH-CG2 3.43Å; L113-V132 HydrophobicContact CD1-CB 4.29Å; L113-V132 HydrophobicContact CD1-CG1 3.49Å; L113-V132 VanDerWaalsContact CD1-CG1 3.49Å; L113-V132 HydrophobicContact CD1-CG2 3.75Å; L113-V132 HydrophobicContact CD2-CG1 3.97Å; L113-V132 HydrophobicContact CG-CG1 3.45Å; L113-V132 VanDerWaalsContact CG-CG1 3.45Å; L117-V132 HydrophobicContact CD1-CB 3.94Å; L117-V132 HydrophobicContact CD1-CG1 3.83Å; L120-V132 HydrophobicContact CD1-CB 4.48Å; L120-V132 HydrophobicContact CD1-CG2 4.15Å; E128-V132 HydrophobicContact CG-CG2 4.29Å; E128-V132 WeakPolarHBondContact O-CB 3.41Å; E128-V132 VanDerWaalsContact O-CG2 3.3Å; E128-V132 WeakPolarHBondContact O-CG2 3.26Å; E128-V132 PolarHBondContact O-N 2.96Å; F129-V132 PolarHBondContact O-N 2.65Å; V132-S134 PolarHBondContact O-N 3.05Å; V132-L135 WeakPolarHBondContact O-CB 3.4Å; V132-L135 PolarHBondContact O-N 3.16Å; V132-L135 VanDerWaalsContact O-N 3.12Å; V132-L136 HydrophobicContact CG1-CD1 4.02Å; V132-L136 HydrophobicContact CG1-CG 4.22Å; V132-L136 WeakPolarHBondContact O-CG 3.3Å; V132-L136 PolarHBondContact O-N 3.39Å
133	A	96.6	Very high	94.8	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-58.6	-38.1	176.7	0	0	0	0	0	111.9	L117 F129 Q137 M173 L185	L117-A133 HydrophobicContact CD1-CB 4.49Å; L117-A133 HydrophobicContact CD2-CB 4.32Å; F129-A133 HydrophobicContact CD1-CB 4.49Å; F129-A133 HydrophobicContact CE1-CB 4.35Å; F129-A133 VanDerWaalsContact O-CB 3.26Å; F129-A133 WeakPolarHBondContact O-CB 3.37Å; F129-A133 PolarHBondContact O-N 2.98Å; A133-Q137 WeakPolarHBondContact O-CG 3.31Å; A133-Q137 PolarHBondContact O-N 2.87Å; A133-Q137 PolarHBondContact O-NE2 3.28Å; A133-M173 HydrophobicContact CB-CE 3.64Å; A133-M173 HydrophobicContact CB-SD 3.69Å; A133-L185 HydrophobicContact CB-CD1 4.34Å
134	S	95.6	Very high	94.4	Very high	53 Å²	53	55.7 Å²	55.7	37%	0.371	30%	0.298	S	S	.	.	H	α-helix	trans	-69.4	-44.3	174.7	-52.3	0	0	0	0	111.4	Q130 R131 V132 L136 Q137 D138	Q130-S134 WeakPolarHBondContact O-CB 3.27Å; Q130-S134 PolarHBondContact O-N 2.9Å; Q130-S134 PolarHBondContact O-OG 3.14Å; R131-S134 PolarHBondContact O-N 2.86Å; V132-S134 PolarHBondContact O-N 3.05Å; S134-L136 VanDerWaalsContact C-N 3.34Å; S134-L136 PolarHBondContact O-N 3.5Å; S134-Q137 WeakPolarHBondContact O-CB 3.44Å; S134-Q137 PolarHBondContact O-N 3.29Å; S134-D138 PolarHBondContact O-N 3.4Å; S134-D138 VanDerWaalsContact O-N 3.15Å
135	L	94.9	Very high	94.2	Very high	42 Å²	42	57.7 Å²	57.7	22%	0.22	30%	0.296	C	S	.	.	H	α-helix	trans	-57.6	-46.1	177	179	63.9	0	0	0	111.8	F90 L113 R131 V132 Q137 D138 T139	F90-L135 HydrophobicContact CE2-CD2 4.19Å; F90-L135 HydrophobicContact CZ-CD2 3.88Å; L113-L135 HydrophobicContact CD2-CD2 4.04Å; R131-L135 WeakPolarHBondContact O-CB 3.38Å; R131-L135 PolarHBondContact O-N 3.43Å; V132-L135 WeakPolarHBondContact O-CB 3.4Å; V132-L135 PolarHBondContact O-N 3.16Å; V132-L135 VanDerWaalsContact O-N 3.12Å; L135-Q137 VanDerWaalsContact C-N 3.33Å; L135-Q137 PolarHBondContact O-N 3.35Å; L135-D138 PolarHBondContact O-N 3.17Å; L135-D138 VanDerWaalsContact O-N 3.11Å; L135-T139 HydrophobicContact CD1-CG2 3.69Å; L135-T139 HydrophobicContact CG-CG2 4.43Å; L135-T139 WeakPolarHBondContact O-CG2 3.47Å; L135-T139 PolarHBondContact O-N 3.31Å; L135-T139 PolarHBondContact O-OG1 3.3Å
136	L	93.8	Very high	93.9	Very high	1 Å²	1	58 Å²	58	1%	0.005	30%	0.299	C	S	.	.	H	α-helix	trans	-60.9	-41.4	179.2	-69.2	172.3	0	0	0	112	L113 I114 L117 V132 S134 D138 T139 V140 M188	L113-L136 HydrophobicContact CD2-CD2 3.97Å; L113-L136 HydrophobicContact CD2-CG 4.46Å; L113-L136 HydrophobicContact CG-CD2 4.3Å; I114-L136 HydrophobicContact CD1-CD2 4.47Å; I114-L136 HydrophobicContact CG1-CD1 4.04Å; I114-L136 HydrophobicContact CG1-CD2 3.77Å; L117-L136 HydrophobicContact CD2-CD1 3.87Å; V132-L136 HydrophobicContact CG1-CD1 4.02Å; V132-L136 HydrophobicContact CG1-CG 4.22Å; V132-L136 WeakPolarHBondContact O-CG 3.3Å; V132-L136 PolarHBondContact O-N 3.39Å; S134-L136 VanDerWaalsContact C-N 3.34Å; S134-L136 PolarHBondContact O-N 3.5Å; L136-D138 VanDerWaalsContact C-N 3.25Å; L136-D138 PolarHBondContact O-N 3.3Å; L136-T139 PolarHBondContact O-N 3.37Å; L136-V140 HydrophobicContact CB-CG2 4.32Å; L136-V140 HydrophobicContact CD2-CG2 3.68Å; L136-V140 WeakPolarHBondContact O-CB 3.36Å; L136-V140 PolarHBondContact O-N 3.16Å; L136-M188 HydrophobicContact CB-CE 4.27Å; L136-M188 WeakPolarHBondContact O-CE 3.48Å
137	Q	93.4	Very high	93.7	Very high	69 Å²	69	56.6 Å²	56.6	32%	0.322	30%	0.302	S	S	.	.	H	α-helix	trans	-62.4	-33.2	176	-72.8	168.1	76.2	0	0	112.6	A133 S134 L135 P184 L185 M188	A133-Q137 WeakPolarHBondContact O-CG 3.31Å; A133-Q137 PolarHBondContact O-N 2.87Å; A133-Q137 PolarHBondContact O-NE2 3.28Å; S134-Q137 WeakPolarHBondContact O-CB 3.44Å; S134-Q137 PolarHBondContact O-N 3.29Å; L135-Q137 VanDerWaalsContact C-N 3.33Å; L135-Q137 PolarHBondContact O-N 3.35Å; Q137-P184 HydrophobicContact CG-CB 4.21Å; Q137-L185 HydrophobicContact CG-CD2 4.21Å; Q137-M188 HydrophobicContact CB-SD 4.36Å; Q137-M188 HydrophobicContact CG-SD 3.71Å
138	D	91.4	Very high	93.5	Very high	141 Å²	141	51.7 Å²	51.7	75%	0.754	27%	0.272	S	S	*	.	H	α-helix	trans	-83.9	-26.6	-178.5	-68.7	-22.8	0	0	0	113	S134 L135 L136	S134-D138 PolarHBondContact O-N 3.4Å; S134-D138 VanDerWaalsContact O-N 3.15Å; L135-D138 PolarHBondContact O-N 3.17Å; L135-D138 VanDerWaalsContact O-N 3.11Å; L136-D138 VanDerWaalsContact C-N 3.25Å; L136-D138 PolarHBondContact O-N 3.3Å
139	T	88.5	Confident	93.4	Very high	81 Å²	81	51.2 Å²	51.2	50%	0.497	27%	0.272	S	S	.	.	H	α-helix	trans	-115.8	-24.2	-168.6	64.2	0	0	0	0	115.8	L135 L136	L135-T139 HydrophobicContact CD1-CG2 3.69Å; L135-T139 HydrophobicContact CG-CG2 4.43Å; L135-T139 WeakPolarHBondContact O-CG2 3.47Å; L135-T139 PolarHBondContact O-N 3.31Å; L135-T139 PolarHBondContact O-OG1 3.3Å; L136-T139 PolarHBondContact O-N 3.37Å
140	V	89.8	Confident	93.3	Very high	25 Å²	25	51.2 Å²	51.2	15%	0.152	27%	0.272	C	S	.	.			trans	-90	125.5	-175	178.6	0	0	0	0	110.6	L136 F142 M188	L136-V140 HydrophobicContact CB-CG2 4.32Å; L136-V140 HydrophobicContact CD2-CG2 3.68Å; L136-V140 WeakPolarHBondContact O-CB 3.36Å; L136-V140 PolarHBondContact O-N 3.16Å; V140-F142 HydrophobicContact CG1-CD1 4.38Å; V140-F142 HydrophobicContact CG1-CE1 3.79Å; V140-F142 HydrophobicContact CG1-CE2 4.04Å; V140-F142 HydrophobicContact CG1-CZ 3.6Å; V140-M188 HydrophobicContact CB-CE 3.91Å; V140-M188 HydrophobicContact CG1-CE 4.28Å
141	D	89	Confident	93.3	Very high	95 Å²	95	50 Å²	50	51%	0.508	27%	0.265	S	S	.	.			trans	-130.4	128.8	173	-177.5	3.6	0	0	0	108.7	D143	D141-D143 WeakPolarHBondContact OD1-CB 3.37Å; D141-D143 PolarHBondContact OD1-N 3.4Å
142	F	91.7	Very high	93.3	Very high	4 Å²	4	46.6 Å²	46.6	2%	0.018	25%	0.254	C	S	.	.	S	Bend	trans	-91.3	-1.8	179.8	-60.3	-67.1	0	0	0	113	V140 I144 V157 L161 M188 D191 A192 K195 L213	V140-F142 HydrophobicContact CG1-CD1 4.38Å; V140-F142 HydrophobicContact CG1-CE1 3.79Å; V140-F142 HydrophobicContact CG1-CE2 4.04Å; V140-F142 HydrophobicContact CG1-CZ 3.6Å; F142-I144 PolarHBondContact O-N 2.9Å; F142-V157 HydrophobicContact CE1-CG1 3.76Å; F142-V157 HydrophobicContact CZ-CG1 3.71Å; F142-L161 HydrophobicContact CE2-CD1 4.35Å; F142-L161 HydrophobicContact CZ-CD1 4.04Å; F142-M188 HydrophobicContact CE2-CB 4.38Å; F142-M188 WeakPolarHBondContact CE2-O 3.29Å; F142-D191 HydrophobicContact CD2-CB 4.35Å; F142-A192 HydrophobicContact CD1-CB 4.27Å; F142-A192 HydrophobicContact CD2-CB 4Å; F142-A192 HydrophobicContact CE1-CB 4.07Å; F142-A192 HydrophobicContact CE2-CB 3.78Å; F142-A192 HydrophobicContact CG-CB 4.24Å; F142-A192 HydrophobicContact CZ-CB 3.82Å; F142-K195 HydrophobicContact CB-CG 4.13Å; F142-L213 WeakPolarHBondContact O-CB 3.44Å
143	D	91.9	Very high	93.3	Very high	86 Å²	86	46.7 Å²	46.7	46%	0.46	26%	0.255	S	S	.	.			trans	-78.8	52.6	172.6	-76.8	-35.7	0	0	0	112.8	D141 K195	D141-D143 WeakPolarHBondContact OD1-CB 3.37Å; D141-D143 PolarHBondContact OD1-N 3.4Å; D143-K195 WeakPolarHBondContact OD1-CE 3.32Å; D143-K195 IonicContact OD1-NZ 3.31Å; D143-K195 PolarHBondContact OD1-NZ 3.04Å
144	I	89.6	Confident	93.4	Very high	51 Å²	51	46.7 Å²	46.7	26%	0.262	26%	0.255	S	S	.	.			trans	-114.3	140.2	-175.8	54.8	170	0	0	0	112.4	G107 F142 V146 L213 L214	G107-I144 WeakPolarHBondContact O-CD1 3.34Å; F142-I144 PolarHBondContact O-N 2.9Å; I144-V146 HydrophobicContact CD1-CB 4.46Å; I144-V146 HydrophobicContact CD1-CG1 3.59Å; I144-V146 HydrophobicContact CG1-CG1 3.79Å; I144-V146 PolarHBondContact O-N 3Å; I144-L213 HydrophobicContact CD1-CD1 4.09Å; I144-L213 HydrophobicContact CG1-CB 4.41Å; I144-L213 HydrophobicContact CG1-CD1 3.9Å; I144-L214 WeakPolarHBondContact O-CB 3.16Å; I144-L214 PolarHBondContact O-N 3.48Å
145	D	92.6	Very high	93.5	Very high	94 Å²	94	44.4 Å²	44.4	50%	0.503	24%	0.238	S	C	.	.			trans	-80.7	68.8	178.4	-171.8	11.1	0	0	0	111.5	N212 L214 R215	D145-N212 PolarHBondContact OD1-ND2 3.13Å; D145-N212 PolarHBondContact OD1-OD1 2.89Å; D145-L214 HydrophobicContact CB-CD2 4.1Å; D145-R215 IonicContact OD1-CZ 2.75Å; D145-R215 IonicContact OD1-NE 3.89Å; D145-R215 PolarHBondContact OD1-NE 2.83Å; D145-R215 IonicContact OD1-NH2 2.66Å; D145-R215 PolarHBondContact OD1-NH2 3Å; D145-R215 IonicContact OD2-CZ 2.81Å; D145-R215 IonicContact OD2-NE 3.51Å; D145-R215 IonicContact OD2-NH2 3.42Å; D145-R215 PolarHBondContact OD2-NH2 3.48Å
146	V	91.2	Very high	93.7	Very high	39 Å²	39	43 Å²	43	24%	0.236	23%	0.23	C	C	.	.			trans	-129.9	145.3	177.9	76	0	0	0	0	110.7	I144 N212 L213	I144-V146 HydrophobicContact CD1-CB 4.46Å; I144-V146 HydrophobicContact CD1-CG1 3.59Å; I144-V146 HydrophobicContact CG1-CG1 3.79Å; I144-V146 PolarHBondContact O-N 3Å; V146-N212 VanDerWaalsContact O-CA 3.27Å; V146-N212 WeakPolarHBondContact O-CA 3.42Å; V146-N212 PolarHBondContact O-ND2 3.11Å; V146-L213 HydrophobicContact CG1-CD1 3.8Å; V146-L213 HydrophobicContact CG1-CG 4.11Å; V146-L213 PolarHBondContact O-N 3.21Å
147	N	92.5	Very high	93.8	Very high	104 Å²	104	43 Å²	43	56%	0.556	23%	0.23	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-84.5	123	170.1	-66.9	-20.9	0	0	0	108.6	T210 N212	N147-T210 HydrophobicContact CB-CG2 3.92Å; N147-N212 WeakPolarHBondContact OD1-CB 3.09Å; N147-N212 PolarHBondContact OD1-ND2 3.19Å; N147-N212 VanDerWaalsContact OD1-ND2 3.09Å
148	A	93.1	Very high	94.1	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	146.5	179.7	0	0	0	0	0	110.5	V150 T210 V211 L213	A148-V150 PolarHBondContact O-N 2.9Å; A148-T210 WeakPolarHBondContact O-CA 3.24Å; A148-T210 WeakPolarHBondContact O-CG2 3.24Å; A148-V211 PolarHBondContact N-O 2.99Å; A148-V211 PolarHBondContact O-N 3.43Å; A148-L213 HydrophobicContact CB-CD1 4.3Å; A148-L213 HydrophobicContact CB-CD2 3.89Å; A148-L213 HydrophobicContact CB-CG 4.02Å
149	S	95.4	Very high	94.4	Very high	20 Å²	20	33 Å²	33	14%	0.14	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	126.3	169.9	168.3	0	0	0	0	109.1	F151 E152 T153	S149-F151 VanDerWaalsContact C-N 3.33Å; S149-F151 PolarHBondContact O-N 3.32Å; S149-E152 WeakPolarHBondContact OG-CG 3.27Å; S149-E152 PolarHBondContact OG-N 3.28Å; S149-T153 VanDerWaalsContact O-CB 3.24Å; S149-T153 WeakPolarHBondContact O-CB 3.46Å; S149-T153 PolarHBondContact O-N 3.02Å; S149-T153 PolarHBondContact O-OG1 3.38Å
150	V	97.6	Very high	94.9	Very high	1 Å²	1	29.2 Å²	29.2	1%	0.006	16%	0.156	C	C	.	.	H	α-helix	trans	-65.9	-40.8	-177.9	179.4	0	0	0	0	110.5	A148 N154 L196 A199 F200 Y208 G209 V211 F233	A148-V150 PolarHBondContact O-N 2.9Å; V150-N154 WeakPolarHBondContact O-CB 3.46Å; V150-N154 PolarHBondContact O-N 2.98Å; V150-L196 HydrophobicContact CG1-CB 4.33Å; V150-A199 HydrophobicContact CB-CB 4.49Å; V150-A199 HydrophobicContact CG1-CB 4.11Å; V150-A199 HydrophobicContact CG2-CB 3.6Å; V150-F200 HydrophobicContact CG1-CE2 4.22Å; V150-Y208 WeakPolarHBondContact CG2-O 3.21Å; V150-G209 PolarHBondContact N-O 3.26Å; V150-V211 HydrophobicContact CG2-CB 3.92Å; V150-V211 HydrophobicContact CG2-CG1 3.72Å; V150-F233 HydrophobicContact CG1-CE1 3.79Å; V150-F233 HydrophobicContact CG1-CZ 3.8Å
151	F	97.8	Very high	95.3	Very high	37 Å²	37	28 Å²	28	16%	0.162	15%	0.148	C	C	.	.	H	α-helix	trans	-65.7	-54.3	177.4	170.8	-97.7	0	0	0	111.8	S149 T153 N154 I155 A228 T232	S149-F151 VanDerWaalsContact C-N 3.33Å; S149-F151 PolarHBondContact O-N 3.32Å; F151-T153 PolarHBondContact O-N 3.11Å; F151-N154 PolarHBondContact O-N 2.79Å; F151-I155 HydrophobicContact CD1-CD1 4.21Å; F151-I155 HydrophobicContact CE1-CD1 3.58Å; F151-I155 HydrophobicContact CE2-CD1 4.47Å; F151-I155 HydrophobicContact CE2-CG2 4.34Å; F151-I155 HydrophobicContact CZ-CD1 3.73Å; F151-I155 PolarHBondContact O-N 2.71Å; F151-I155 VanDerWaalsContact O-N 3.11Å; F151-A228 HydrophobicContact CE2-CB 4.29Å; F151-T232 HydrophobicContact CD2-CG2 4.31Å; F151-T232 HydrophobicContact CE2-CG2 3.65Å
152	E	96.3	Very high	95.7	Very high	36 Å²	36	23.5 Å²	23.5	17%	0.168	12%	0.124	C	C	.	.	H	α-helix	trans	-64.5	-42.2	-176.1	-62.5	-66.2	162.7	0	0	111.2	W106 S149 N154 I155 R156	W106-E152 HydrophobicContact CD2-CB 4.36Å; W106-E152 HydrophobicContact CD2-CG 4.19Å; W106-E152 HydrophobicContact CE3-CG 4.5Å; W106-E152 HydrophobicContact CG-CB 4.46Å; W106-E152 HydrophobicContact CH2-CG 4.48Å; W106-E152 HydrophobicContact CZ2-CG 4.16Å; S149-E152 WeakPolarHBondContact OG-CG 3.27Å; S149-E152 PolarHBondContact OG-N 3.28Å; E152-N154 VanDerWaalsContact C-N 3.28Å; E152-N154 PolarHBondContact O-N 3.4Å; E152-I155 PolarHBondContact O-N 3.04Å; E152-R156 WeakPolarHBondContact O-CB 3.32Å; E152-R156 VanDerWaalsContact O-CG 3.3Å; E152-R156 WeakPolarHBondContact O-CG 3.27Å; E152-R156 PolarHBondContact O-N 3.2Å; E152-R156 IonicContact OE2-CZ 3.1Å; E152-R156 IonicContact OE2-NE 3.5Å; E152-R156 PolarHBondContact OE2-NE 3.33Å; E152-R156 IonicContact OE2-NH2 2.93Å; E152-R156 PolarHBondContact OE2-NH2 2.67Å
153	T	97	Very high	96	Very high	2 Å²	2	23.3 Å²	23.3	1%	0.012	12%	0.123	C	C	.	.	I	π-helix	trans	-63.4	-36.6	178.4	-51.8	0	0	0	0	111.4	S149 F151 V157 V158 L196	S149-T153 VanDerWaalsContact O-CB 3.24Å; S149-T153 WeakPolarHBondContact O-CB 3.46Å; S149-T153 PolarHBondContact O-N 3.02Å; S149-T153 PolarHBondContact O-OG1 3.38Å; F151-T153 PolarHBondContact O-N 3.11Å; T153-V157 HydrophobicContact CG2-CB 4.1Å; T153-V157 HydrophobicContact CG2-CG2 4.14Å; T153-V157 WeakPolarHBondContact O-CA 3.31Å; T153-V157 VanDerWaalsContact O-CB 3.27Å; T153-V157 WeakPolarHBondContact O-CB 3.23Å; T153-V157 PolarHBondContact O-N 2.78Å; T153-V158 PolarHBondContact O-N 3Å; T153-V158 VanDerWaalsContact O-N 3.11Å; T153-L196 HydrophobicContact CG2-CD1 4.3Å; T153-L196 HydrophobicContact CG2-CD2 4.07Å
154	N	98.6	Very high	96.3	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	10%	0.101	C	C	.	.	I	π-helix	trans	-65.8	-56.7	177	179.5	68.9	0	0	0	111.8	V150 F151 E152 R156 V158 G159 L196 T232 F233 E236 F237	V150-N154 WeakPolarHBondContact O-CB 3.46Å; V150-N154 PolarHBondContact O-N 2.98Å; F151-N154 PolarHBondContact O-N 2.79Å; E152-N154 VanDerWaalsContact C-N 3.28Å; E152-N154 PolarHBondContact O-N 3.4Å; N154-R156 VanDerWaalsContact C-N 3.32Å; N154-R156 PolarHBondContact O-N 2.97Å; N154-V158 WeakPolarHBondContact O-CB 3.47Å; N154-V158 PolarHBondContact O-N 3.42Å; N154-G159 PolarHBondContact O-N 2.91Å; N154-L196 HydrophobicContact CB-CD1 4.07Å; N154-T232 PolarHBondContact ND2-O 2.57Å; N154-F233 HydrophobicContact CB-CD1 3.77Å; N154-F233 HydrophobicContact CB-CE1 3.69Å; N154-E236 PolarHBondContact ND2-OE2 3.19Å; N154-E236 WeakPolarHBondContact OD1-CB 3.23Å; N154-F237 WeakPolarHBondContact OD1-CD1 3.44Å; N154-F237 WeakPolarHBondContact OD1-CE1 3.42Å
155	I	98.4	Very high	96.7	Very high	5 Å²	5	16.9 Å²	16.9	3%	0.026	9%	0.09	C	C	.	.	I	π-helix	trans	-69.3	-32.8	-171.2	70	179.8	0	0	0	112.1	F151 E152 T232 N512 T513 E514 H516	F151-I155 HydrophobicContact CD1-CD1 4.21Å; F151-I155 HydrophobicContact CE1-CD1 3.58Å; F151-I155 HydrophobicContact CE2-CD1 4.47Å; F151-I155 HydrophobicContact CE2-CG2 4.34Å; F151-I155 HydrophobicContact CZ-CD1 3.73Å; F151-I155 PolarHBondContact O-N 2.71Å; F151-I155 VanDerWaalsContact O-N 3.11Å; E152-I155 PolarHBondContact O-N 3.04Å; I155-T232 HydrophobicContact CG2-CG2 3.84Å; I155-N512 PolarHBondContact O-ND2 3.37Å; I155-T513 HydrophobicContact CB-CG2 3.88Å; I155-T513 HydrophobicContact CD1-CG2 3.91Å; I155-T513 HydrophobicContact CG1-CG2 4.47Å; I155-T513 HydrophobicContact CG2-CG2 3.64Å; I155-E514 HydrophobicContact CB-CB 4.28Å; I155-E514 WeakPolarHBondContact CD1-OE2 3.37Å; I155-E514 HydrophobicContact CG1-CB 4.35Å; I155-E514 WeakPolarHBondContact O-CB 3.32Å; I155-H516 PolarHBondContact O-CD2 3.41Å; I155-H516 VanDerWaalsContact O-CD2 3.25Å
156	R	97.4	Very high	96.7	Very high	13 Å²	13	13 Å²	13	5%	0.049	7%	0.069	C	C	.	.	I	π-helix	trans	-89.4	-62.4	-177.6	-62.7	-178.4	-175.5	-69.4	-21.4	112.9	L111 D115 E152 N154 G160 S462 E514 H516	L111-R156 HydrophobicContact CD1-CB 3.6Å; L111-R156 VanDerWaalsContact CD1-CD 3.5Å; L111-R156 HydrophobicContact CD1-CG 4.09Å; D115-R156 WeakPolarHBondContact OD1-CA 3.28Å; D115-R156 VanDerWaalsContact OD1-CB 3.23Å; D115-R156 WeakPolarHBondContact OD1-CB 3.31Å; D115-R156 IonicContact OD2-NH1 3.35Å; D115-R156 PolarHBondContact OD2-NH1 3.34Å; D115-R156 VanDerWaalsContact OD2-NH1 3.07Å; E152-R156 WeakPolarHBondContact O-CB 3.32Å; E152-R156 VanDerWaalsContact O-CG 3.3Å; E152-R156 WeakPolarHBondContact O-CG 3.27Å; E152-R156 PolarHBondContact O-N 3.2Å; E152-R156 IonicContact OE2-CZ 3.1Å; E152-R156 IonicContact OE2-NE 3.5Å; E152-R156 PolarHBondContact OE2-NE 3.33Å; E152-R156 IonicContact OE2-NH2 2.93Å; E152-R156 PolarHBondContact OE2-NH2 2.67Å; N154-R156 VanDerWaalsContact C-N 3.32Å; N154-R156 PolarHBondContact O-N 2.97Å; R156-G160 WeakPolarHBondContact O-CA 3.32Å; R156-G160 PolarHBondContact O-N 3.27Å; R156-S462 PolarHBondContact NH1-OG 3.16Å; R156-E514 HydrophobicContact CG-CG 3.99Å; R156-E514 IonicContact CZ-OE1 3.2Å; R156-E514 VanDerWaalsContact CZ-OE1 3.32Å; R156-E514 IonicContact CZ-OE2 3.45Å; R156-E514 IonicContact NE-OE2 2.59Å; R156-E514 VanDerWaalsContact NH1-CD 3.32Å; R156-E514 IonicContact NH1-OE1 2.65Å; R156-E514 PolarHBondContact NH1-OE1 2.92Å; R156-E514 IonicContact NH1-OE2 2.96Å; R156-E514 IonicContact NH2-OE1 2.85Å; R156-E514 PolarHBondContact NH2-OE1 3.28Å; R156-E514 IonicContact NH2-OE2 3.77Å; R156-E514 PolarHBondContact NH2-OE2 3.27Å; R156-H516 PolarHBondContact O-NE2 2.94Å
157	V	97.1	Very high	96.9	Very high	0 Å²	0	11.3 Å²	11.3	0%	0	6%	0.058	C	C	.	.	I	π-helix	trans	-76.8	-54.3	-172	-177.4	0	0	0	0	111.2	F109 L111 I114 F142 T153 L161 A192	F109-V157 HydrophobicContact CD2-CG2 3.71Å; F109-V157 HydrophobicContact CE1-CG2 4.17Å; F109-V157 HydrophobicContact CE2-CG2 3.15Å; F109-V157 HydrophobicContact CG-CG2 4.43Å; F109-V157 HydrophobicContact CZ-CG2 3.43Å; F109-V157 VanDerWaalsContact CZ-CG2 3.43Å; L111-V157 HydrophobicContact CD1-CG2 4.49Å; I114-V157 HydrophobicContact CD1-CG1 4.11Å; I114-V157 HydrophobicContact CD1-CG2 4.49Å; F142-V157 HydrophobicContact CE1-CG1 3.76Å; F142-V157 HydrophobicContact CZ-CG1 3.71Å; T153-V157 HydrophobicContact CG2-CB 4.1Å; T153-V157 HydrophobicContact CG2-CG2 4.14Å; T153-V157 WeakPolarHBondContact O-CA 3.31Å; T153-V157 VanDerWaalsContact O-CB 3.27Å; T153-V157 WeakPolarHBondContact O-CB 3.23Å; T153-V157 PolarHBondContact O-N 2.78Å; V157-L161 HydrophobicContact CG1-CD1 3.84Å; V157-L161 VanDerWaalsContact O-CB 3.32Å; V157-L161 WeakPolarHBondContact O-CB 3.01Å; V157-L161 WeakPolarHBondContact O-CD1 3.46Å; V157-L161 WeakPolarHBondContact O-CG 3.43Å; V157-L161 PolarHBondContact O-N 3.34Å; V157-A192 HydrophobicContact CG1-CB 4.21Å
158	V	98.6	Very high	97	Very high	0 Å²	0	6.6 Å²	6.6	0%	0	3%	0.034	C	C	.	.	I	π-helix	trans	-66.2	-46.3	-179.6	-176.1	0	0	0	0	109.8	T153 N154 L162 A192 A193 L196 E236 L240	T153-V158 PolarHBondContact O-N 3Å; T153-V158 VanDerWaalsContact O-N 3.11Å; N154-V158 WeakPolarHBondContact O-CB 3.47Å; N154-V158 PolarHBondContact O-N 3.42Å; V158-L162 HydrophobicContact CG1-CD1 3.96Å; V158-L162 HydrophobicContact CG1-CG 4.36Å; V158-L162 VanDerWaalsContact O-CB 3.31Å; V158-L162 WeakPolarHBondContact O-CB 2.99Å; V158-L162 WeakPolarHBondContact O-CG 3.49Å; V158-L162 PolarHBondContact O-N 2.91Å; V158-A192 HydrophobicContact CG2-CB 4.1Å; V158-A193 HydrophobicContact CG1-CB 4.28Å; V158-A193 HydrophobicContact CG2-CB 4.07Å; V158-L196 HydrophobicContact CG2-CD1 4.41Å; V158-E236 HydrophobicContact CB-CB 4.5Å; V158-E236 HydrophobicContact CG1-CB 3.93Å; V158-E236 HydrophobicContact CG1-CG 4.38Å; V158-L240 HydrophobicContact CG1-CD1 3.59Å; V158-L240 HydrophobicContact CG1-CG 4.28Å
159	G	98.5	Very high	96.9	Very high	0 Å²	0	7.3 Å²	7.3	0%	0	4%	0.041	C	C	.	.	H	α-helix	trans	-57.1	-50.3	175.2	0	0	0	0	0	113.5	N154 L162 S163	N154-G159 PolarHBondContact O-N 2.91Å; G159-L162 PolarHBondContact O-N 2.93Å; G159-S163 WeakPolarHBondContact O-CB 3.23Å; G159-S163 PolarHBondContact O-N 2.86Å
160	G	98.1	Very high	96.7	Very high	1 Å²	1	7.1 Å²	7.1	1%	0.01	4%	0.037	C	C	.	.	H	α-helix	trans	-64.1	-43.6	-179.6	0	0	0	0	0	113.2	R156 S163 A164 H516	R156-G160 WeakPolarHBondContact O-CA 3.32Å; R156-G160 PolarHBondContact O-N 3.27Å; G160-S163 PolarHBondContact O-N 3.17Å; G160-A164 VanDerWaalsContact O-CB 3.28Å; G160-A164 WeakPolarHBondContact O-CB 3.33Å; G160-A164 PolarHBondContact O-N 2.95Å; G160-H516 PolarHBondContact N-CD2 3.45Å; G160-H516 VanDerWaalsContact N-CD2 3.27Å
161	L	98.5	Very high	96.5	Very high	0 Å²	0	7.1 Å²	7.1	0%	0	4%	0.037	C	C	.	.	H	α-helix	trans	-66.7	-40.3	176.8	-69.9	170.4	0	0	0	112.3	I114 F142 V157 H165 L185 M188 A189	I114-L161 HydrophobicContact CG2-CG 4.24Å; F142-L161 HydrophobicContact CE2-CD1 4.35Å; F142-L161 HydrophobicContact CZ-CD1 4.04Å; V157-L161 HydrophobicContact CG1-CD1 3.84Å; V157-L161 VanDerWaalsContact O-CB 3.32Å; V157-L161 WeakPolarHBondContact O-CB 3.01Å; V157-L161 WeakPolarHBondContact O-CD1 3.46Å; V157-L161 WeakPolarHBondContact O-CG 3.43Å; V157-L161 PolarHBondContact O-N 3.34Å; L161-H165 VanDerWaalsContact O-CB 3.27Å; L161-H165 WeakPolarHBondContact O-CB 3.29Å; L161-H165 PolarHBondContact O-N 3.13Å; L161-L185 HydrophobicContact CD2-CD2 4.33Å; L161-M188 HydrophobicContact CD1-CB 3.96Å; L161-M188 HydrophobicContact CD2-CB 4.39Å; L161-M188 HydrophobicContact CD2-CE 4.36Å; L161-A189 HydrophobicContact CB-CB 3.73Å; L161-A189 HydrophobicContact CD1-CB 4.42Å
162	L	98.6	Very high	96.3	Very high	0 Å²	0	7.5 Å²	7.5	0%	0	5%	0.052	C	C	.	.	H	α-helix	trans	-61.8	-46.8	174.5	-78.9	172.8	0	0	0	111.7	V158 G159 H165 M166 L186 A189 E236 A239 L240 L243 L518	V158-L162 HydrophobicContact CG1-CD1 3.96Å; V158-L162 HydrophobicContact CG1-CG 4.36Å; V158-L162 VanDerWaalsContact O-CB 3.31Å; V158-L162 WeakPolarHBondContact O-CB 2.99Å; V158-L162 WeakPolarHBondContact O-CG 3.49Å; V158-L162 PolarHBondContact O-N 2.91Å; G159-L162 PolarHBondContact O-N 2.93Å; L162-H165 WeakPolarHBondContact O-CB 3.33Å; L162-H165 PolarHBondContact O-N 2.72Å; L162-M166 WeakPolarHBondContact O-CG 3.49Å; L162-M166 PolarHBondContact O-N 2.94Å; L162-L186 HydrophobicContact CD2-CD1 3.97Å; L162-A189 HydrophobicContact CD2-CB 4.25Å; L162-A189 HydrophobicContact CG-CB 4.13Å; L162-E236 HydrophobicContact CD1-CB 3.98Å; L162-E236 HydrophobicContact CD1-CG 4.33Å; L162-A239 HydrophobicContact CD1-CB 3.99Å; L162-L240 HydrophobicContact CD1-CG 4.15Å; L162-L240 HydrophobicContact CD2-CD2 3.76Å; L162-L240 HydrophobicContact CD2-CG 4Å; L162-L240 HydrophobicContact CG-CD2 4.44Å; L162-L240 HydrophobicContact CG-CG 4.41Å; L162-L243 HydrophobicContact CD2-CD1 3.84Å; L162-L518 HydrophobicContact CB-CD2 4.01Å
163	S	98.1	Very high	96.2	Very high	0 Å²	0	7.4 Å²	7.4	0%	0	5%	0.052	C	C	.	.	H	α-helix	trans	-64.3	-47.1	179.1	-174.2	0	0	0	0	111.5	G159 G160 H165 M166 L167 P517	G159-S163 WeakPolarHBondContact O-CB 3.23Å; G159-S163 PolarHBondContact O-N 2.86Å; G160-S163 PolarHBondContact O-N 3.17Å; S163-H165 VanDerWaalsContact C-N 3.28Å; S163-H165 PolarHBondContact O-N 3.37Å; S163-M166 PolarHBondContact O-N 2.56Å; S163-L167 VanDerWaalsContact O-CB 3.31Å; S163-L167 WeakPolarHBondContact O-CB 3.32Å; S163-L167 VanDerWaalsContact O-CG 3.31Å; S163-L167 WeakPolarHBondContact O-CG 3.31Å; S163-L167 PolarHBondContact O-N 2.69Å; S163-P517 WeakPolarHBondContact CB-O 3.32Å; S163-P517 WeakPolarHBondContact OG-CD 3.44Å; S163-P517 WeakPolarHBondContact OG-CG 3.42Å; S163-P517 PolarHBondContact OG-O 3.47Å
164	A	97.6	Very high	95.9	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-58.5	-40.6	175.7	0	0	0	0	0	112.1	L117 F129 G160 L167 A168 L185	L117-A164 HydrophobicContact CD2-CB 3.42Å; L117-A164 VanDerWaalsContact CD2-CB 3.42Å; L117-A164 HydrophobicContact CG-CB 3.85Å; F129-A164 HydrophobicContact CE2-CB 4.24Å; F129-A164 HydrophobicContact CZ-CB 4Å; G160-A164 VanDerWaalsContact O-CB 3.28Å; G160-A164 WeakPolarHBondContact O-CB 3.33Å; G160-A164 PolarHBondContact O-N 2.95Å; A164-L167 CarbonylContact O-C 3.55Å; A164-L167 PolarHBondContact O-N 3.28Å; A164-A168 PolarHBondContact O-N 3.32Å; A164-L185 HydrophobicContact CB-CD1 3.97Å
165	H	97.2	Very high	95.5	Very high	3 Å²	3	19.8 Å²	19.8	1%	0.014	11%	0.111	C	C	.	.	H	α-helix	trans	-60.1	-47.3	175.1	174.6	69.2	0	0	0	112.7	L161 L162 S163 L167 A168 W179 P180 S182 L185	L161-H165 VanDerWaalsContact O-CB 3.27Å; L161-H165 WeakPolarHBondContact O-CB 3.29Å; L161-H165 PolarHBondContact O-N 3.13Å; L162-H165 WeakPolarHBondContact O-CB 3.33Å; L162-H165 PolarHBondContact O-N 2.72Å; S163-H165 VanDerWaalsContact C-N 3.28Å; S163-H165 PolarHBondContact O-N 3.37Å; H165-L167 VanDerWaalsContact C-N 3.26Å; H165-L167 PolarHBondContact O-N 2.63Å; H165-A168 WeakPolarHBondContact O-CB 3.39Å; H165-A168 PolarHBondContact O-N 3.28Å; H165-W179 AromaticContact CE1-CD1 3.42Å; H165-W179 VanDerWaalsContact CE1-CD1 3.42Å; H165-W179 AromaticContact CE1-NE1 3.79Å; H165-W179 AromaticContact NE2-CD1 3.92Å; H165-W179 PolarHBondContact O-NE1 3.46Å; H165-P180 PolarHBondContact NE2-O 3.27Å; H165-S182 PolarHBondContact CE1-O 3.18Å; H165-L185 HydrophobicContact CB-CB 3.78Å
166	M	94.1	Very high	95.2	Very high	12 Å²	12	23.1 Å²	23.1	6%	0.059	13%	0.127	C	C	.	.	H	α-helix	trans	-67.4	-28.6	178.5	-66.8	177.8	-167.5	0	0	112.4	L162 S163 W179 A239 L243 L518 D519 A522 L523	L162-M166 WeakPolarHBondContact O-CG 3.49Å; L162-M166 PolarHBondContact O-N 2.94Å; S163-M166 PolarHBondContact O-N 2.56Å; M166-W179 WeakPolarHBondContact O-CZ2 3.37Å; M166-A239 HydrophobicContact CE-CB 4.28Å; M166-L243 HydrophobicContact CE-CD1 3.7Å; M166-L243 HydrophobicContact CE-CG 4.44Å; M166-L518 HydrophobicContact CE-CD2 4.08Å; M166-L518 HydrophobicContact SD-CB 4.39Å; M166-L518 HydrophobicContact SD-CD2 4.32Å; M166-D519 HydrophobicContact SD-CB 4.07Å; M166-D519 PolarHBondContact SD-N 3.07Å; M166-A522 HydrophobicContact CG-CB 4.36Å; M166-A522 HydrophobicContact SD-CB 4.44Å; M166-L523 HydrophobicContact CE-CD1 3.38Å; M166-L523 HydrophobicContact SD-CD1 4.38Å
167	L	94.8	Very high	94.7	Very high	4 Å²	4	28.1 Å²	28.1	2%	0.021	16%	0.161	C	C	.	.	H	α-helix	trans	-91.3	-6.2	-179.7	-70.9	178.1	0	0	0	114	D118 L121 S163 A164 H165 G169 R170 A171 F481 F509 P517	D118-L167 HydrophobicContact CB-CD1 3.97Å; L121-L167 HydrophobicContact CD2-CB 3.63Å; L121-L167 HydrophobicContact CD2-CD1 4.17Å; L121-L167 HydrophobicContact CD2-CD2 4.1Å; L121-L167 HydrophobicContact CD2-CG 4.18Å; S163-L167 VanDerWaalsContact O-CB 3.31Å; S163-L167 WeakPolarHBondContact O-CB 3.32Å; S163-L167 VanDerWaalsContact O-CG 3.31Å; S163-L167 WeakPolarHBondContact O-CG 3.31Å; S163-L167 PolarHBondContact O-N 2.69Å; A164-L167 CarbonylContact O-C 3.55Å; A164-L167 PolarHBondContact O-N 3.28Å; H165-L167 VanDerWaalsContact C-N 3.26Å; H165-L167 PolarHBondContact O-N 2.63Å; L167-G169 VanDerWaalsContact C-N 3.3Å; L167-G169 PolarHBondContact O-N 3.47Å; L167-R170 PolarHBondContact O-N 3.42Å; L167-R170 VanDerWaalsContact O-N 3.17Å; L167-A171 PolarHBondContact O-N 3.02Å; L167-F481 HydrophobicContact CD2-CE2 3.9Å; L167-F481 HydrophobicContact CD2-CZ 4.14Å; L167-F509 HydrophobicContact CD2-CE1 4.31Å; L167-P517 HydrophobicContact CD1-CG 4.02Å
168	A	94.6	Very high	94.1	Very high	5 Å²	5	29.2 Å²	29.2	4%	0.041	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-38.5	-174.7	0	0	0	0	0	113.2	A164 H165 A171 G172 M173 L175	A164-A168 PolarHBondContact O-N 3.32Å; H165-A168 WeakPolarHBondContact O-CB 3.39Å; H165-A168 PolarHBondContact O-N 3.28Å; A168-A171 PolarHBondContact O-N 3.35Å; A168-G172 PolarHBondContact O-N 3.12Å; A168-M173 HydrophobicContact CB-CB 4.25Å; A168-M173 HydrophobicContact CB-CG 4.37Å; A168-M173 HydrophobicContact CB-SD 3.97Å; A168-M173 WeakPolarHBondContact O-CB 3.35Å; A168-M173 PolarHBondContact O-N 2.9Å; A168-L175 HydrophobicContact CB-CD2 3.89Å
169	G	91.2	Very high	93.7	Very high	15 Å²	15	29.8 Å²	29.8	16%	0.155	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-48.4	176.7	0	0	0	0	0	112.1	L167 A171 G172	L167-G169 VanDerWaalsContact C-N 3.3Å; L167-G169 PolarHBondContact O-N 3.47Å; G169-A171 VanDerWaalsContact C-N 3.3Å; G169-A171 PolarHBondContact O-N 3.11Å; G169-G172 WeakPolarHBondContact O-CA 3.31Å; G169-G172 PolarHBondContact O-N 3.19Å
170	R	90.6	Very high	93.4	Very high	16 Å²	16	29.8 Å²	29.8	6%	0.06	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-31.5	177	-174.6	175.5	-73.2	-107.2	0.3	113.7	L121 L167 G172 F481 D490 S492 E494	L121-R170 HydrophobicContact CD2-CB 4.2Å; L121-R170 HydrophobicContact CD2-CG 4.22Å; L167-R170 PolarHBondContact O-N 3.42Å; L167-R170 VanDerWaalsContact O-N 3.17Å; R170-G172 PolarHBondContact O-N 3.38Å; R170-F481 VanDerWaalsContact CD-CE2 3.45Å; R170-F481 VanDerWaalsContact CD-CZ 3.46Å; R170-F481 VanDerWaalsContact CZ-CD2 3.4Å; R170-D490 IonicContact NH1-OD2 3.32Å; R170-D490 PolarHBondContact NH1-OD2 3.15Å; R170-S492 VanDerWaalsContact CZ-OG 3.25Å; R170-S492 PolarHBondContact NH1-OG 3.04Å; R170-S492 PolarHBondContact NH2-O 3.29Å; R170-S492 PolarHBondContact NH2-OG 3.26Å; R170-E494 WeakPolarHBondContact CA-OE1 3.22Å; R170-E494 VanDerWaalsContact CB-OE1 3.23Å; R170-E494 WeakPolarHBondContact CB-OE1 3.48Å; R170-E494 PolarHBondContact N-OE1 2.81Å; R170-E494 PolarHBondContact N-OE2 3Å
171	A	93.4	Very high	93.1	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-10.8	170.4	0	0	0	0	0	112.9	L121 F129 Q130 L167 A168 G169 M173	L121-A171 HydrophobicContact CD1-CB 4.07Å; L121-A171 HydrophobicContact CD2-CB 4.29Å; F129-A171 HydrophobicContact CB-CB 4.45Å; F129-A171 HydrophobicContact CD1-CB 3.18Å; F129-A171 HydrophobicContact CD2-CB 4.4Å; F129-A171 HydrophobicContact CE1-CB 3.34Å; F129-A171 HydrophobicContact CG-CB 3.78Å; F129-A171 HydrophobicContact CZ-CB 4.06Å; Q130-A171 PolarHBondContact NE2-O 3.17Å; L167-A171 PolarHBondContact O-N 3.02Å; A168-A171 PolarHBondContact O-N 3.35Å; G169-A171 VanDerWaalsContact C-N 3.3Å; G169-A171 PolarHBondContact O-N 3.11Å; A171-M173 HydrophobicContact CB-CG 4.41Å
172	G	93.3	Very high	92.8	Very high	46 Å²	46	32.6 Å²	32.6	47%	0.474	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	74.9	27.7	-178.8	0	0	0	0	0	113.2	Q130 A168 G169 R170	Q130-G172 PolarHBondContact NE2-O 3.1Å; Q130-G172 VanDerWaalsContact NE2-O 3.09Å; A168-G172 PolarHBondContact O-N 3.12Å; G169-G172 WeakPolarHBondContact O-CA 3.31Å; G169-G172 PolarHBondContact O-N 3.19Å; R170-G172 PolarHBondContact O-N 3.38Å
173	M	93.7	Very high	92.7	Very high	33 Å²	33	32.7 Å²	32.7	16%	0.163	19%	0.194	C	C	.	.	P	Polyproline II helix	trans	-69.8	154.4	172.3	-68.1	-167.5	73.8	0	0	111.1	F129 Q130 A133 A168 A171 L175	F129-M173 HydrophobicContact CD1-CG 4.38Å; F129-M173 HydrophobicContact CD1-SD 4.14Å; F129-M173 HydrophobicContact CE1-CG 4.17Å; F129-M173 HydrophobicContact CE1-SD 3.6Å; Q130-M173 HydrophobicContact CG-CG 4Å; A133-M173 HydrophobicContact CB-CE 3.64Å; A133-M173 HydrophobicContact CB-SD 3.69Å; A168-M173 HydrophobicContact CB-CB 4.25Å; A168-M173 HydrophobicContact CB-CG 4.37Å; A168-M173 HydrophobicContact CB-SD 3.97Å; A168-M173 WeakPolarHBondContact O-CB 3.35Å; A168-M173 PolarHBondContact O-N 2.9Å; A171-M173 HydrophobicContact CB-CG 4.41Å; M173-L175 HydrophobicContact CB-CD2 4.46Å; M173-L175 PolarHBondContact O-N 3.38Å
174	E	91.1	Very high	92.6	Very high	195 Å²	195	34.6 Å²	34.6	91%	0.911	21%	0.207	S	C	*	.	P	Polyproline II helix	trans	-68.8	121.4	165.7	-172.7	174.1	178.1	0	0	109
175	L	91.6	Very high	92.6	Very high	67 Å²	67	34.7 Å²	34.7	35%	0.351	21%	0.207	S	C	.	.	P	Polyproline II helix	trans	-99.9	134.2	-174.4	-56.5	177.9	0	0	0	110.9	A168 M173 W179	A168-L175 HydrophobicContact CB-CD2 3.89Å; M173-L175 HydrophobicContact CB-CD2 4.46Å; M173-L175 PolarHBondContact O-N 3.38Å; L175-W179 HydrophobicContact CB-CB 4.19Å; L175-W179 HydrophobicContact CB-CG 4.36Å; L175-W179 HydrophobicContact CD1-CD2 3.77Å; L175-W179 HydrophobicContact CD1-CE3 3.65Å; L175-W179 HydrophobicContact CD1-CG 4.18Å; L175-W179 HydrophobicContact CD1-CH2 4.46Å; L175-W179 HydrophobicContact CD1-CZ3 3.99Å; L175-W179 HydrophobicContact CD2-CD2 4.28Å; L175-W179 HydrophobicContact CD2-CG 4.16Å; L175-W179 HydrophobicContact CG-CD2 4.5Å; L175-W179 HydrophobicContact CG-CG 4.47Å
176	E	90.5	Very high	92.6	Very high	75 Å²	75	34.7 Å²	34.7	35%	0.35	21%	0.207	S	C	.	.	P	Polyproline II helix	trans	-67.1	143.7	173.8	-171.2	178.7	150.4	0	0	111	G178 W179 R187	E176-G178 PolarHBondContact O-N 3.13Å; E176-G178 VanDerWaalsContact O-N 3.13Å; E176-W179 WeakPolarHBondContact O-CB 3.47Å; E176-W179 PolarHBondContact O-N 2.89Å; E176-W179 VanDerWaalsContact O-N 3.09Å; E176-R187 VanDerWaalsContact CD-NH1 3.34Å; E176-R187 IonicContact OE1-NH1 3.22Å; E176-R187 PolarHBondContact OE1-NH1 2.93Å; E176-R187 IonicContact OE2-CZ 3.92Å; E176-R187 VanDerWaalsContact OE2-CZ 3.23Å; E176-R187 IonicContact OE2-NH1 3.26Å; E176-R187 PolarHBondContact OE2-NH1 3.39Å; E176-R187 IonicContact OE2-NH2 3.97Å; E176-R187 PolarHBondContact OE2-NH2 3.03Å
177	P	87.1	Confident	92.8	Very high	118 Å²	118	39.7 Å²	39.7	77%	0.766	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.2	120.5	172.7	-27	35.3	0	0	0	112	S182	P177-S182 PolarHBondContact O-OG 3.3Å
178	G	84.9	Confident	92.9	Very high	23 Å²	23	40.6 Å²	40.6	24%	0.237	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	104.9	-1.8	-178.5	0	0	0	0	0	114.6	E176 C181 S182	E176-G178 PolarHBondContact O-N 3.13Å; E176-G178 VanDerWaalsContact O-N 3.13Å; G178-C181 CarbonylContact O-C 3.25Å; G178-C181 WeakPolarHBondContact O-CA 3.18Å; G178-C181 PolarHBondContact O-N 2.8Å; G178-S182 VanDerWaalsContact CA-OG 3.31Å; G178-S182 WeakPolarHBondContact CA-OG 3.25Å; G178-S182 PolarHBondContact O-N 3.33Å; G178-S182 PolarHBondContact O-OG 3.43Å
179	W	90.9	Very high	93.1	Very high	12 Å²	12	40.4 Å²	40.4	5%	0.045	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.1	138.1	165.7	-178.8	92.5	0	0	0	110.6	H165 M166 L175 E176 S182 G497 L504	H165-W179 AromaticContact CE1-CD1 3.42Å; H165-W179 VanDerWaalsContact CE1-CD1 3.42Å; H165-W179 AromaticContact CE1-NE1 3.79Å; H165-W179 AromaticContact NE2-CD1 3.92Å; H165-W179 PolarHBondContact O-NE1 3.46Å; M166-W179 WeakPolarHBondContact O-CZ2 3.37Å; L175-W179 HydrophobicContact CB-CB 4.19Å; L175-W179 HydrophobicContact CB-CG 4.36Å; L175-W179 HydrophobicContact CD1-CD2 3.77Å; L175-W179 HydrophobicContact CD1-CE3 3.65Å; L175-W179 HydrophobicContact CD1-CG 4.18Å; L175-W179 HydrophobicContact CD1-CH2 4.46Å; L175-W179 HydrophobicContact CD1-CZ3 3.99Å; L175-W179 HydrophobicContact CD2-CD2 4.28Å; L175-W179 HydrophobicContact CD2-CG 4.16Å; L175-W179 HydrophobicContact CG-CD2 4.5Å; L175-W179 HydrophobicContact CG-CG 4.47Å; E176-W179 WeakPolarHBondContact O-CB 3.47Å; E176-W179 PolarHBondContact O-N 2.89Å; E176-W179 VanDerWaalsContact O-N 3.09Å; W179-S182 WeakPolarHBondContact CA-O 3.39Å; W179-S182 PolarHBondContact N-OG 2.73Å; W179-G497 VanDerWaalsContact O-CA 3.32Å; W179-G497 WeakPolarHBondContact O-CA 3.28Å; W179-G497 PolarHBondContact O-N 2.87Å; W179-L504 HydrophobicContact CE3-CD1 4.01Å; W179-L504 HydrophobicContact CH2-CD1 3.2Å; W179-L504 HydrophobicContact CZ2-CD1 4Å; W179-L504 HydrophobicContact CZ3-CD1 3.21Å
180	P	91.7	Very high	93.4	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	cis	-87.8	1.9	9.2	36.5	-37.5	0	0	0	114.9	H165 S182 L504 A522	H165-P180 PolarHBondContact NE2-O 3.27Å; P180-S182 PolarHBondContact O-N 3.14Å; P180-L504 HydrophobicContact CB-CD1 4.14Å; P180-L504 HydrophobicContact CG-CD1 3.75Å; P180-L504 HydrophobicContact CG-CD2 4.13Å; P180-A522 HydrophobicContact CB-CB 4.36Å; P180-A522 HydrophobicContact CG-CB 4.28Å
181	C	92.3	Very high	93.7	Very high	32 Å²	32	43.6 Å²	43.6	22%	0.216	24%	0.241	C	C	.	.	S	Bend	trans	-86.7	5.7	-176.5	-42.1	0	0	0	0	113.6	G178 C526	G178-C181 CarbonylContact O-C 3.25Å; G178-C181 WeakPolarHBondContact O-CA 3.18Å; G178-C181 PolarHBondContact O-N 2.8Å; C181-C526 WeakPolarHBondContact CA-SG 3.17Å; C181-C526 HydrophobicContact CB-CB 3.83Å; C181-C526 WeakPolarHBondContact CB-SG 3.44Å; C181-C526 PolarHBondContact N-SG 2.91Å; C181-C526 VanDerWaalsContact N-SG 3.4Å; C181-C526 WeakPolarHBondContact SG-CA 3.4Å; C181-C526 WeakPolarHBondContact SG-CB 3.4Å; C181-C526 CovalentContact SG-SG 2.04Å; C181-C526 PolarHBondContact SG-SG 3.05Å
182	S	92.5	Very high	93.9	Very high	29 Å²	29	43.6 Å²	43.6	20%	0.203	24%	0.242	C	C	.	.	S	Bend	trans	-158.3	154.2	175.3	53.1	0	0	0	0	108.7	H165 P177 G178 W179 P180	H165-S182 PolarHBondContact CE1-O 3.18Å; P177-S182 PolarHBondContact O-OG 3.3Å; G178-S182 VanDerWaalsContact CA-OG 3.31Å; G178-S182 WeakPolarHBondContact CA-OG 3.25Å; G178-S182 PolarHBondContact O-N 3.33Å; G178-S182 PolarHBondContact O-OG 3.43Å; W179-S182 WeakPolarHBondContact CA-O 3.39Å; W179-S182 PolarHBondContact N-OG 2.73Å; P180-S182 PolarHBondContact O-N 3.14Å
183	G	94.9	Very high	94.2	Very high	1 Å²	1	41.4 Å²	41.4	1%	0.01	22%	0.219	C	C	.	.			trans	159.7	162.6	176.7	0	0	0	0	0	111.5	L186 R187	G183-L186 PolarHBondContact O-N 3.34Å; G183-R187 PolarHBondContact O-N 2.97Å; G183-R187 VanDerWaalsContact O-N 3.1Å
184	P	96	Very high	94.4	Very high	40 Å²	40	44.3 Å²	44.3	26%	0.26	23%	0.228	S	C	.	.	H	α-helix	trans	-65.4	-44.9	-175.8	24.2	-32.8	0	0	0	112.6	Q137 L186 R187 M188	Q137-P184 HydrophobicContact CG-CB 4.21Å; P184-L186 VanDerWaalsContact C-N 3.32Å; P184-L186 PolarHBondContact O-N 3.26Å; P184-R187 PolarHBondContact O-N 3.46Å; P184-R187 VanDerWaalsContact O-N 3.15Å; P184-M188 WeakPolarHBondContact O-CG 3.36Å; P184-M188 PolarHBondContact O-N 3.15Å
185	L	97.3	Very high	94.7	Very high	3 Å²	3	36.7 Å²	36.7	2%	0.016	19%	0.192	C	C	.	.	H	α-helix	trans	-63.8	-36.9	178.5	-63.9	178.3	0	0	0	112.2	A133 Q137 L161 A164 H165 M188 A189	A133-L185 HydrophobicContact CB-CD1 4.34Å; Q137-L185 HydrophobicContact CG-CD2 4.21Å; L161-L185 HydrophobicContact CD2-CD2 4.33Å; A164-L185 HydrophobicContact CB-CD1 3.97Å; H165-L185 HydrophobicContact CB-CB 3.78Å; L185-M188 HydrophobicContact CD2-SD 4.12Å; L185-M188 PolarHBondContact O-N 3.25Å; L185-A189 PolarHBondContact O-N 3.49Å
186	L	97.9	Very high	95	Very high	3 Å²	3	33.5 Å²	33.5	2%	0.016	18%	0.175	C	C	.	.	H	α-helix	trans	-62.5	-42.9	172.5	179.2	58.8	0	0	0	112.2	L162 G183 P184 M188 A189 E190 L240 L243 T244	L162-L186 HydrophobicContact CD2-CD1 3.97Å; G183-L186 PolarHBondContact O-N 3.34Å; P184-L186 VanDerWaalsContact C-N 3.32Å; P184-L186 PolarHBondContact O-N 3.26Å; L186-M188 VanDerWaalsContact C-N 3.32Å; L186-M188 PolarHBondContact O-N 2.99Å; L186-A189 PolarHBondContact O-N 2.96Å; L186-E190 WeakPolarHBondContact O-CB 3.15Å; L186-E190 PolarHBondContact O-N 3.33Å; L186-L240 HydrophobicContact CD1-CD2 3.96Å; L186-L243 HydrophobicContact CD1-CB 3.99Å; L186-L243 HydrophobicContact CD1-CD1 3.74Å; L186-L243 HydrophobicContact CD2-CB 3.91Å; L186-T244 HydrophobicContact CD1-CG2 4.1Å; L186-T244 HydrophobicContact CD2-CG2 4.22Å; L186-T244 HydrophobicContact CG-CG2 4.18Å
187	R	97.7	Very high	95.4	Very high	117 Å²	117	31.6 Å²	31.6	44%	0.442	17%	0.167	S	C	.	.	H	α-helix	trans	-64	-37.3	176.8	-73.6	-176.3	-67.2	-96.8	-0.1	112.1	E176 G183 P184 E190 D191	E176-R187 VanDerWaalsContact CD-NH1 3.34Å; E176-R187 IonicContact OE1-NH1 3.22Å; E176-R187 PolarHBondContact OE1-NH1 2.93Å; E176-R187 IonicContact OE2-CZ 3.92Å; E176-R187 VanDerWaalsContact OE2-CZ 3.23Å; E176-R187 IonicContact OE2-NH1 3.26Å; E176-R187 PolarHBondContact OE2-NH1 3.39Å; E176-R187 IonicContact OE2-NH2 3.97Å; E176-R187 PolarHBondContact OE2-NH2 3.03Å; G183-R187 PolarHBondContact O-N 2.97Å; G183-R187 VanDerWaalsContact O-N 3.1Å; P184-R187 PolarHBondContact O-N 3.46Å; P184-R187 VanDerWaalsContact O-N 3.15Å; R187-E190 PolarHBondContact O-N 3.42Å; R187-D191 PolarHBondContact O-N 2.95Å
188	M	97.6	Very high	95.9	Very high	23 Å²	23	28.7 Å²	28.7	11%	0.113	15%	0.148	C	C	.	.	H	α-helix	trans	-64.3	-44.8	173.6	-66.2	174.4	72.6	0	0	111.6	L136 Q137 V140 F142 L161 P184 L185 L186 E190 D191 A192	L136-M188 HydrophobicContact CB-CE 4.27Å; L136-M188 WeakPolarHBondContact O-CE 3.48Å; Q137-M188 HydrophobicContact CB-SD 4.36Å; Q137-M188 HydrophobicContact CG-SD 3.71Å; V140-M188 HydrophobicContact CB-CE 3.91Å; V140-M188 HydrophobicContact CG1-CE 4.28Å; F142-M188 HydrophobicContact CE2-CB 4.38Å; F142-M188 WeakPolarHBondContact CE2-O 3.29Å; L161-M188 HydrophobicContact CD1-CB 3.96Å; L161-M188 HydrophobicContact CD2-CB 4.39Å; L161-M188 HydrophobicContact CD2-CE 4.36Å; P184-M188 WeakPolarHBondContact O-CG 3.36Å; P184-M188 PolarHBondContact O-N 3.15Å; L185-M188 HydrophobicContact CD2-SD 4.12Å; L185-M188 PolarHBondContact O-N 3.25Å; L186-M188 VanDerWaalsContact C-N 3.32Å; L186-M188 PolarHBondContact O-N 2.99Å; M188-E190 VanDerWaalsContact C-N 3.3Å; M188-E190 PolarHBondContact O-N 3.41Å; M188-D191 PolarHBondContact O-N 3.11Å; M188-A192 PolarHBondContact O-N 3.39Å
189	A	98.4	Very high	96.5	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-60.9	-40.9	176.1	0	0	0	0	0	111.7	L161 L162 L185 L186 A193 L240	L161-A189 HydrophobicContact CB-CB 3.73Å; L161-A189 HydrophobicContact CD1-CB 4.42Å; L162-A189 HydrophobicContact CD2-CB 4.25Å; L162-A189 HydrophobicContact CG-CB 4.13Å; L185-A189 PolarHBondContact O-N 3.49Å; L186-A189 PolarHBondContact O-N 2.96Å; A189-A193 WeakPolarHBondContact O-CB 3.29Å; A189-A193 PolarHBondContact O-N 3.05Å; A189-L240 HydrophobicContact CB-CD2 4.01Å
190	E	98.4	Very high	96.9	Very high	44 Å²	44	27.6 Å²	27.6	21%	0.206	14%	0.138	C	C	.	.	H	α-helix	trans	-63	-46.6	175.6	-171.5	-172	156.1	0	0	111.7	L186 R187 M188 A193 R194 L240 F249	L186-E190 WeakPolarHBondContact O-CB 3.15Å; L186-E190 PolarHBondContact O-N 3.33Å; R187-E190 PolarHBondContact O-N 3.42Å; M188-E190 VanDerWaalsContact C-N 3.3Å; M188-E190 PolarHBondContact O-N 3.41Å; E190-A193 PolarHBondContact O-N 2.87Å; E190-R194 VanDerWaalsContact O-CG 3.3Å; E190-R194 WeakPolarHBondContact O-CG 3.48Å; E190-R194 PolarHBondContact O-N 2.71Å; E190-R194 IonicContact OE1-CZ 3.16Å; E190-R194 IonicContact OE1-NE 2.81Å; E190-R194 PolarHBondContact OE1-NE 3.16Å; E190-R194 IonicContact OE1-NH2 3.82Å; E190-R194 PolarHBondContact OE1-NH2 3.12Å; E190-L240 HydrophobicContact CB-CD2 4.29Å; E190-F249 HydrophobicContact CG-CE2 4.21Å; E190-F249 HydrophobicContact CG-CZ 3.92Å
191	D	97.4	Very high	97.2	Very high	54 Å²	54	34.4 Å²	34.4	29%	0.289	17%	0.174	S	C	.	.	H	α-helix	trans	-61.4	-47.6	178.6	-174.8	43.5	0	0	0	111.7	F142 R187 M188 A193 R194 K195	F142-D191 HydrophobicContact CD2-CB 4.35Å; R187-D191 PolarHBondContact O-N 2.95Å; M188-D191 PolarHBondContact O-N 3.11Å; D191-A193 PolarHBondContact O-N 3.49Å; D191-R194 PolarHBondContact O-N 3.1Å; D191-R194 VanDerWaalsContact O-N 3.17Å; D191-K195 WeakPolarHBondContact O-CG 3.4Å; D191-K195 PolarHBondContact O-N 2.86Å; D191-K195 VanDerWaalsContact O-N 3.14Å; D191-K195 IonicContact OD1-NZ 2.65Å; D191-K195 PolarHBondContact OD1-NZ 3.31Å
192	A	97.1	Very high	97.4	Very high	1 Å²	1	33.1 Å²	33.1	1%	0.008	17%	0.165	C	C	.	.	H	α-helix	trans	-55.3	-49.4	174.1	0	0	0	0	0	111.7	F142 V157 V158 M188 R194 K195 L196	F142-A192 HydrophobicContact CD1-CB 4.27Å; F142-A192 HydrophobicContact CD2-CB 4Å; F142-A192 HydrophobicContact CE1-CB 4.07Å; F142-A192 HydrophobicContact CE2-CB 3.78Å; F142-A192 HydrophobicContact CG-CB 4.24Å; F142-A192 HydrophobicContact CZ-CB 3.82Å; V157-A192 HydrophobicContact CG1-CB 4.21Å; V158-A192 HydrophobicContact CG2-CB 4.1Å; M188-A192 PolarHBondContact O-N 3.39Å; A192-R194 VanDerWaalsContact C-N 3.33Å; A192-R194 PolarHBondContact O-N 2.64Å; A192-K195 WeakPolarHBondContact O-CB 3.23Å; A192-K195 PolarHBondContact O-N 3.48Å; A192-K195 VanDerWaalsContact O-N 3.16Å; A192-L196 PolarHBondContact O-N 3.13Å
193	A	98.3	Very high	97.7	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-65.2	-33.8	179.4	0	0	0	0	0	112.9	V158 A189 E190 D191 K195 L196 L197 F237 L240 F249	V158-A193 HydrophobicContact CG1-CB 4.28Å; V158-A193 HydrophobicContact CG2-CB 4.07Å; A189-A193 WeakPolarHBondContact O-CB 3.29Å; A189-A193 PolarHBondContact O-N 3.05Å; E190-A193 PolarHBondContact O-N 2.87Å; D191-A193 PolarHBondContact O-N 3.49Å; A193-K195 VanDerWaalsContact C-N 3.29Å; A193-K195 PolarHBondContact O-N 2.96Å; A193-L196 WeakPolarHBondContact O-CB 3.23Å; A193-L196 PolarHBondContact O-N 2.97Å; A193-L197 PolarHBondContact O-N 3.32Å; A193-F237 HydrophobicContact CB-CE1 4.23Å; A193-L240 HydrophobicContact CB-CD1 3.31Å; A193-F249 HydrophobicContact CB-CD1 3.94Å; A193-F249 HydrophobicContact CB-CE1 3.61Å; A193-F249 HydrophobicContact CB-CZ 4.46Å
194	R	98.1	Very high	97.8	Very high	93 Å²	93	36.8 Å²	36.8	35%	0.351	19%	0.188	S	C	.	.	H	α-helix	trans	-63.7	-34.6	174.5	-74.9	-176.4	-174.8	-65.5	2	111.8	E190 D191 A192 L196 L197 D246 F249	E190-R194 VanDerWaalsContact O-CG 3.3Å; E190-R194 WeakPolarHBondContact O-CG 3.48Å; E190-R194 PolarHBondContact O-N 2.71Å; E190-R194 IonicContact OE1-CZ 3.16Å; E190-R194 IonicContact OE1-NE 2.81Å; E190-R194 PolarHBondContact OE1-NE 3.16Å; E190-R194 IonicContact OE1-NH2 3.82Å; E190-R194 PolarHBondContact OE1-NH2 3.12Å; D191-R194 PolarHBondContact O-N 3.1Å; D191-R194 VanDerWaalsContact O-N 3.17Å; A192-R194 VanDerWaalsContact C-N 3.33Å; A192-R194 PolarHBondContact O-N 2.64Å; R194-L196 PolarHBondContact O-N 2.95Å; R194-L197 HydrophobicContact CG-CD1 4.43Å; R194-L197 PolarHBondContact O-N 2.94Å; R194-D246 IonicContact CZ-OD2 2.72Å; R194-D246 IonicContact NH1-OD2 3.4Å; R194-D246 PolarHBondContact NH1-OD2 2.98Å; R194-D246 VanDerWaalsContact NH1-OD2 3.1Å; R194-D246 IonicContact NH2-OD2 3.63Å; R194-D246 PolarHBondContact NH2-OD2 2.85Å; R194-F249 HydrophobicContact CG-CE1 3.94Å; R194-F249 HydrophobicContact CG-CZ 3.69Å
195	K	97.4	Very high	97.9	Very high	36 Å²	36	34.9 Å²	34.9	16%	0.157	18%	0.176	C	C	.	.	H	α-helix	trans	-63.9	-23.8	173	-53.9	-42.1	-167.9	-170.2	0	112.9	F142 D143 D191 A192 A193 P198 L213	F142-K195 HydrophobicContact CB-CG 4.13Å; D143-K195 WeakPolarHBondContact OD1-CE 3.32Å; D143-K195 IonicContact OD1-NZ 3.31Å; D143-K195 PolarHBondContact OD1-NZ 3.04Å; D191-K195 WeakPolarHBondContact O-CG 3.4Å; D191-K195 PolarHBondContact O-N 2.86Å; D191-K195 VanDerWaalsContact O-N 3.14Å; D191-K195 IonicContact OD1-NZ 2.65Å; D191-K195 PolarHBondContact OD1-NZ 3.31Å; A192-K195 WeakPolarHBondContact O-CB 3.23Å; A192-K195 PolarHBondContact O-N 3.48Å; A192-K195 VanDerWaalsContact O-N 3.16Å; A193-K195 VanDerWaalsContact C-N 3.29Å; A193-K195 PolarHBondContact O-N 2.96Å; K195-P198 WeakPolarHBondContact O-CD 3.47Å; K195-L213 HydrophobicContact CB-CB 4.46Å; K195-L213 HydrophobicContact CB-CD2 3.76Å; K195-L213 WeakPolarHBondContact CD-O 3.01Å; K195-L213 HydrophobicContact CG-CB 4.46Å; K195-L213 HydrophobicContact CG-CD2 4.38Å
196	L	98.4	Very high	97.9	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-84.3	-26.3	179.7	-55.2	-174.5	0	0	0	113.5	V150 T153 N154 V158 A192 A193 R194 P198 A199 V211 L213 F237	V150-L196 HydrophobicContact CG1-CB 4.33Å; T153-L196 HydrophobicContact CG2-CD1 4.3Å; T153-L196 HydrophobicContact CG2-CD2 4.07Å; N154-L196 HydrophobicContact CB-CD1 4.07Å; V158-L196 HydrophobicContact CG2-CD1 4.41Å; A192-L196 PolarHBondContact O-N 3.13Å; A193-L196 WeakPolarHBondContact O-CB 3.23Å; A193-L196 PolarHBondContact O-N 2.97Å; R194-L196 PolarHBondContact O-N 2.95Å; L196-P198 VanDerWaalsContact C-N 3.35Å; L196-A199 VanDerWaalsContact O-CB 3.23Å; L196-A199 WeakPolarHBondContact O-CB 3.28Å; L196-A199 PolarHBondContact O-N 3.36Å; L196-V211 HydrophobicContact CD2-CG1 3.76Å; L196-L213 HydrophobicContact CD2-CD2 4.47Å; L196-F237 HydrophobicContact CB-CZ 4.48Å
197	L	98.4	Very high	98	Very high	35 Å²	35	34.6 Å²	34.6	18%	0.183	17%	0.174	C	C	.	.	G	3₁₀ helix	trans	-54.5	-36.4	-176.4	-70.8	175.3	0	0	0	115.3	A193 R194 A199 F200 F237 T248 F249 A252	A193-L197 PolarHBondContact O-N 3.32Å; R194-L197 HydrophobicContact CG-CD1 4.43Å; R194-L197 PolarHBondContact O-N 2.94Å; L197-A199 PolarHBondContact O-N 2.92Å; L197-A199 VanDerWaalsContact O-N 3.13Å; L197-F200 WeakPolarHBondContact O-CB 3.36Å; L197-F200 PolarHBondContact O-N 2.7Å; L197-F237 HydrophobicContact CD2-CE2 4.26Å; L197-T248 HydrophobicContact CD1-CG2 3.85Å; L197-T248 HydrophobicContact CD2-CG2 4.28Å; L197-F249 HydrophobicContact CD1-CD1 4.27Å; L197-F249 HydrophobicContact CD1-CE1 3.93Å; L197-F249 HydrophobicContact CD2-CD1 4.11Å; L197-F249 HydrophobicContact CG-CD1 4.35Å; L197-F249 HydrophobicContact CG-CE1 4.27Å; L197-A252 HydrophobicContact CD2-CB 4.28Å
198	P	98.3	Very high	98	Very high	56 Å²	56	31.5 Å²	31.5	36%	0.364	16%	0.163	S	C	.	.	G	3₁₀ helix	trans	-55.3	-28.7	174.3	-27.7	36.5	0	0	0	114	K195 L196 F200 D201 V211 V217	K195-P198 WeakPolarHBondContact O-CD 3.47Å; L196-P198 VanDerWaalsContact C-N 3.35Å; P198-F200 PolarHBondContact O-N 3.34Å; P198-D201 PolarHBondContact O-N 3.42Å; P198-V211 HydrophobicContact CB-CG2 4.33Å; P198-V217 HydrophobicContact CB-CG2 4.35Å; P198-V217 WeakPolarHBondContact O-CG2 3.35Å
199	A	98.4	Very high	98	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	17%	0.167	C	C	.	.	G	3₁₀ helix	trans	-63.5	-28.6	176.2	0	0	0	0	0	112.8	V150 L196 L197 D201 T202 P207 Y208 V211 V217	V150-A199 HydrophobicContact CB-CB 4.49Å; V150-A199 HydrophobicContact CG1-CB 4.11Å; V150-A199 HydrophobicContact CG2-CB 3.6Å; L196-A199 VanDerWaalsContact O-CB 3.23Å; L196-A199 WeakPolarHBondContact O-CB 3.28Å; L196-A199 PolarHBondContact O-N 3.36Å; L197-A199 PolarHBondContact O-N 2.92Å; L197-A199 VanDerWaalsContact O-N 3.13Å; A199-D201 VanDerWaalsContact C-N 3.35Å; A199-T202 WeakPolarHBondContact O-CG2 3.01Å; A199-P207 HydrophobicContact CB-CB 4.13Å; A199-P207 CarbonylContact O-C 3.56Å; A199-P207 WeakPolarHBondContact O-CA 3.03Å; A199-Y208 WeakPolarHBondContact O-CD2 3.47Å; A199-Y208 PolarHBondContact O-N 2.04Å; A199-V211 HydrophobicContact CB-CB 4.42Å; A199-V217 HydrophobicContact CB-CG2 4.32Å
200	F	98.6	Very high	97.9	Very high	13 Å²	13	33.4 Å²	33.4	6%	0.057	18%	0.18	C	C	.	.	G	3₁₀ helix	trans	-85.1	-6.1	-179.4	-67.7	-99.5	0	0	0	113.3	V150 L197 P198 T202 G205 P207 F233 F237 A252 A256	V150-F200 HydrophobicContact CG1-CE2 4.22Å; L197-F200 WeakPolarHBondContact O-CB 3.36Å; L197-F200 PolarHBondContact O-N 2.7Å; P198-F200 PolarHBondContact O-N 3.34Å; F200-T202 PolarHBondContact O-N 3.4Å; F200-G205 WeakPolarHBondContact CD1-O 3.3Å; F200-P207 HydrophobicContact CD1-CB 3.91Å; F200-P207 HydrophobicContact CD1-CG 4.17Å; F200-P207 HydrophobicContact CD2-CB 3.99Å; F200-P207 HydrophobicContact CE1-CB 3.83Å; F200-P207 HydrophobicContact CE1-CG 3.7Å; F200-P207 HydrophobicContact CE2-CB 3.9Å; F200-P207 HydrophobicContact CE2-CG 4.39Å; F200-P207 HydrophobicContact CG-CB 3.98Å; F200-P207 HydrophobicContact CZ-CB 3.82Å; F200-P207 HydrophobicContact CZ-CG 3.82Å; F200-F233 HydrophobicContact CE1-CD2 4.23Å; F200-F233 HydrophobicContact CE1-CE2 4.48Å; F200-F233 HydrophobicContact CE1-CG 4.43Å; F200-F233 HydrophobicContact CE2-CD1 4.5Å; F200-F233 HydrophobicContact CE2-CE1 4.4Å; F200-F233 AromaticContact CZ-CD1 3.82Å; F200-F233 HydrophobicContact CZ-CD1 3.82Å; F200-F233 AromaticContact CZ-CD2 3.85Å; F200-F233 HydrophobicContact CZ-CD2 3.85Å; F200-F233 AromaticContact CZ-CE1 3.93Å; F200-F233 HydrophobicContact CZ-CE1 3.93Å; F200-F233 AromaticContact CZ-CE2 3.95Å; F200-F233 HydrophobicContact CZ-CE2 3.95Å; F200-F233 AromaticContact CZ-CG 3.79Å; F200-F233 HydrophobicContact CZ-CG 3.79Å; F200-F233 HydrophobicContact CZ-CZ 4Å; F200-F237 HydrophobicContact CD2-CE2 4.44Å; F200-F237 AromaticContact CE2-CE2 3.74Å; F200-F237 HydrophobicContact CE2-CE2 3.74Å; F200-F237 AromaticContact CE2-CZ 3.96Å; F200-F237 HydrophobicContact CE2-CZ 3.96Å; F200-F237 AromaticContact CZ-CE2 3.78Å; F200-F237 HydrophobicContact CZ-CE2 3.78Å; F200-F237 HydrophobicContact CZ-CZ 4.22Å; F200-A252 HydrophobicContact CD1-CB 4.15Å; F200-A252 HydrophobicContact CG-CB 4.32Å; F200-A256 HydrophobicContact CD1-CB 4.44Å; F200-A256 HydrophobicContact CE1-CB 4.2Å
201	D	97.1	Very high	97.8	Very high	142 Å²	142	31.4 Å²	31.4	76%	0.759	17%	0.171	S	C	*	.			trans	-76.3	66.2	176.6	-168.1	21	0	0	0	111.1	P198 A199	P198-D201 PolarHBondContact O-N 3.42Å; A199-D201 VanDerWaalsContact C-N 3.35Å
202	T	97.6	Very high	97.8	Very high	6 Å²	6	29.1 Å²	29.1	4%	0.037	16%	0.159	C	C	.	.	S	Bend	trans	-121.9	158.7	178	76	0	0	0	0	110	A199 F200 T204 G205 M206 Y208 R255 I276	A199-T202 WeakPolarHBondContact O-CG2 3.01Å; F200-T202 PolarHBondContact O-N 3.4Å; T202-T204 PolarHBondContact O-N 2.91Å; T202-T204 VanDerWaalsContact O-N 3.11Å; T202-T204 PolarHBondContact OG1-OG1 2.97Å; T202-G205 PolarHBondContact O-N 2.84Å; T202-G205 VanDerWaalsContact O-N 3.13Å; T202-G205 WeakPolarHBondContact OG1-CA 3.18Å; T202-G205 PolarHBondContact OG1-N 2.97Å; T202-M206 WeakPolarHBondContact CG2-O 3.32Å; T202-M206 PolarHBondContact OG1-N 3.46Å; T202-M206 PolarHBondContact OG1-O 2.92Å; T202-Y208 HydrophobicContact CG2-CD2 3.71Å; T202-Y208 HydrophobicContact CG2-CE2 3.53Å; T202-R255 PolarHBondContact O-NH2 3.33Å; T202-I276 HydrophobicContact CG2-CD1 3.95Å
203	P	97.3	Very high	97.6	Very high	99 Å²	99	29.5 Å²	29.5	64%	0.643	16%	0.16	S	C	*	.	S	Bend	trans	-56	-32	177.5	-27.3	36	0	0	0	113.1	R255	P203-R255 PolarHBondContact O-NH2 2.01Å
204	T	97.8	Very high	97.4	Very high	7 Å²	7	34.1 Å²	34.1	4%	0.043	18%	0.184	C	C	.	.	S	Bend	trans	-90.1	-26.5	-179.9	62	0	0	0	0	112.6	T202 M206 R255 I276 R279	T202-T204 PolarHBondContact O-N 2.91Å; T202-T204 VanDerWaalsContact O-N 3.11Å; T202-T204 PolarHBondContact OG1-OG1 2.97Å; T204-M206 VanDerWaalsContact C-N 3.27Å; T204-M206 HydrophobicContact CG2-CE 3.92Å; T204-M206 WeakPolarHBondContact OG1-CE 3.44Å; T204-M206 PolarHBondContact OG1-N 3.48Å; T204-R255 PolarHBondContact O-NE 2.93Å; T204-I276 WeakPolarHBondContact CB-O 3.19Å; T204-I276 WeakPolarHBondContact CG2-O 3.39Å; T204-I276 PolarHBondContact OG1-O 3.08Å; T204-R279 HydrophobicContact CG2-CG 3.81Å
205	G	97.9	Very high	97.3	Very high	1 Å²	1	38.2 Å²	38.2	1%	0.01	20%	0.2	C	C	.	.			trans	83.5	-0.4	-169	0	0	0	0	0	113.3	F200 T202 A256	F200-G205 WeakPolarHBondContact CD1-O 3.3Å; T202-G205 PolarHBondContact O-N 2.84Å; T202-G205 VanDerWaalsContact O-N 3.13Å; T202-G205 WeakPolarHBondContact OG1-CA 3.18Å; T202-G205 PolarHBondContact OG1-N 2.97Å; G205-A256 WeakPolarHBondContact O-CB 3.2Å
206	M	98.7	Very high	97.2	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	20%	0.199	C	C	.	.	P	Polyproline II helix	trans	-74.1	134.7	168.4	-63.5	-175.8	-76.3	0	0	108.6	T202 T204 V230 A259 L260 I274 I276 R279	T202-M206 WeakPolarHBondContact CG2-O 3.32Å; T202-M206 PolarHBondContact OG1-N 3.46Å; T202-M206 PolarHBondContact OG1-O 2.92Å; T204-M206 VanDerWaalsContact C-N 3.27Å; T204-M206 HydrophobicContact CG2-CE 3.92Å; T204-M206 WeakPolarHBondContact OG1-CE 3.44Å; T204-M206 PolarHBondContact OG1-N 3.48Å; M206-V230 HydrophobicContact CB-CG1 3.84Å; M206-V230 HydrophobicContact CB-CG2 4.17Å; M206-V230 HydrophobicContact CG-CG1 3.57Å; M206-V230 HydrophobicContact SD-CG1 4Å; M206-A259 HydrophobicContact CG-CB 3.78Å; M206-A259 HydrophobicContact SD-CB 4.32Å; M206-L260 HydrophobicContact SD-CB 4.33Å; M206-L260 HydrophobicContact SD-CD1 4.44Å; M206-I274 HydrophobicContact CE-CD1 4.28Å; M206-I274 HydrophobicContact SD-CD1 4.35Å; M206-I276 HydrophobicContact CB-CB 3.89Å; M206-I276 HydrophobicContact CB-CG2 3.83Å; M206-I276 HydrophobicContact CE-CB 4.34Å; M206-I276 WeakPolarHBondContact CE-O 3.14Å; M206-R279 HydrophobicContact CE-CG 4.1Å
207	P	98.6	Very high	97.2	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	21%	0.209	C	C	.	.	P	Polyproline II helix	trans	-79	152.3	-171.3	31	-35.5	0	0	0	113.5	A199 F200 G229 F233 I276	A199-P207 HydrophobicContact CB-CB 4.13Å; A199-P207 CarbonylContact O-C 3.56Å; A199-P207 WeakPolarHBondContact O-CA 3.03Å; F200-P207 HydrophobicContact CD1-CB 3.91Å; F200-P207 HydrophobicContact CD1-CG 4.17Å; F200-P207 HydrophobicContact CD2-CB 3.99Å; F200-P207 HydrophobicContact CE1-CB 3.83Å; F200-P207 HydrophobicContact CE1-CG 3.7Å; F200-P207 HydrophobicContact CE2-CB 3.9Å; F200-P207 HydrophobicContact CE2-CG 4.39Å; F200-P207 HydrophobicContact CG-CB 3.98Å; F200-P207 HydrophobicContact CZ-CB 3.82Å; F200-P207 HydrophobicContact CZ-CG 3.82Å; P207-G229 WeakPolarHBondContact CG-O 3.39Å; P207-F233 HydrophobicContact CG-CE2 3.75Å; P207-F233 HydrophobicContact CG-CZ 4.12Å; P207-I276 WeakPolarHBondContact O-CD1 3.48Å
208	Y	98.6	Very high	97.1	Very high	51 Å²	51	39.6 Å²	39.6	20%	0.2	22%	0.217	C	C	.	.	P	Polyproline II helix	trans	-62.2	155	160.1	-73.9	-81.6	0	0	0	111.1	V150 A199 T202 V217 E221 T222 P223 I276	V150-Y208 WeakPolarHBondContact CG2-O 3.21Å; A199-Y208 WeakPolarHBondContact O-CD2 3.47Å; A199-Y208 PolarHBondContact O-N 2.04Å; T202-Y208 HydrophobicContact CG2-CD2 3.71Å; T202-Y208 HydrophobicContact CG2-CE2 3.53Å; Y208-V217 HydrophobicContact CD1-CG1 4.31Å; Y208-V217 HydrophobicContact CD2-CB 4.49Å; Y208-V217 HydrophobicContact CD2-CG1 3.75Å; Y208-V217 HydrophobicContact CD2-CG2 4.12Å; Y208-V217 HydrophobicContact CE2-CG1 4.1Å; Y208-V217 HydrophobicContact CG-CG1 3.86Å; Y208-E221 HydrophobicContact CD1-CB 4.17Å; Y208-E221 HydrophobicContact CD1-CG 3.64Å; Y208-E221 HydrophobicContact CE1-CB 4.45Å; Y208-E221 HydrophobicContact CE1-CG 4.37Å; Y208-E221 HydrophobicContact CG-CG 4.16Å; Y208-T222 WeakPolarHBondContact CD1-O 3.35Å; Y208-P223 HydrophobicContact CE1-CB 4.22Å; Y208-I276 HydrophobicContact CD1-CD1 3.78Å; Y208-I276 HydrophobicContact CD2-CD1 4.14Å; Y208-I276 HydrophobicContact CE1-CD1 4.04Å; Y208-I276 HydrophobicContact CE2-CD1 4.37Å; Y208-I276 HydrophobicContact CG-CD1 3.85Å
209	G	96.7	Very high	96.8	Very high	20 Å²	20	43.7 Å²	43.7	21%	0.206	24%	0.244	C	C	.	.	S	Bend	trans	-72.5	-31.6	178.9	0	0	0	0	0	113.7	V150	V150-G209 PolarHBondContact N-O 3.26Å
210	T	96.8	Very high	96.6	Very high	44 Å²	44	48.8 Å²	48.8	27%	0.27	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	144.9	-175.6	-38.6	0	0	0	0	111.4	N147 A148 E221	N147-T210 HydrophobicContact CB-CG2 3.92Å; A148-T210 WeakPolarHBondContact O-CA 3.24Å; A148-T210 WeakPolarHBondContact O-CG2 3.24Å; T210-E221 WeakPolarHBondContact CB-OE1 3.17Å; T210-E221 PolarHBondContact N-OE1 3.25Å; T210-E221 PolarHBondContact OG1-OE1 2.96Å
211	V	96.6	Very high	96.5	Very high	1 Å²	1	50.3 Å²	50.3	1%	0.006	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	144.6	171.8	68.4	0	0	0	0	110	A148 V150 L196 P198 A199 L213 V217	A148-V211 PolarHBondContact N-O 2.99Å; A148-V211 PolarHBondContact O-N 3.43Å; V150-V211 HydrophobicContact CG2-CB 3.92Å; V150-V211 HydrophobicContact CG2-CG1 3.72Å; L196-V211 HydrophobicContact CD2-CG1 3.76Å; P198-V211 HydrophobicContact CB-CG2 4.33Å; A199-V211 HydrophobicContact CB-CB 4.42Å; V211-L213 HydrophobicContact CG1-CD2 4.46Å; V211-V217 HydrophobicContact CG2-CG2 4.12Å
212	N	96.3	Very high	96.5	Very high	7 Å²	7	46.9 Å²	46.9	4%	0.037	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	127.1	167.7	-173.7	-83.7	0	0	0	109.4	D145 V146 N147 L214 R215 G216	D145-N212 PolarHBondContact OD1-ND2 3.13Å; D145-N212 PolarHBondContact OD1-OD1 2.89Å; V146-N212 VanDerWaalsContact O-CA 3.27Å; V146-N212 WeakPolarHBondContact O-CA 3.42Å; V146-N212 PolarHBondContact O-ND2 3.11Å; N147-N212 WeakPolarHBondContact OD1-CB 3.09Å; N147-N212 PolarHBondContact OD1-ND2 3.19Å; N147-N212 VanDerWaalsContact OD1-ND2 3.09Å; N212-L214 PolarHBondContact O-N 3.38Å; N212-L214 PolarHBondContact OD1-N 3.5Å; N212-L214 VanDerWaalsContact OD1-N 3.11Å; N212-R215 HydrophobicContact CB-CB 4.1Å; N212-R215 PolarHBondContact O-N 2.95Å; N212-R215 WeakPolarHBondContact OD1-CB 3.38Å; N212-R215 PolarHBondContact OD1-N 3.36Å; N212-G216 WeakPolarHBondContact CB-O 3.32Å; N212-G216 PolarHBondContact N-O 2.95Å; N212-G216 WeakPolarHBondContact O-CA 3.4Å; N212-G216 PolarHBondContact O-N 3.04Å
213	L	94.1	Very high	96.5	Very high	8 Å²	8	48.3 Å²	48.3	4%	0.042	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65	-25.9	-172.8	-60.5	-177.3	0	0	0	113.3	F142 I144 V146 A148 K195 L196 V211	F142-L213 WeakPolarHBondContact O-CB 3.44Å; I144-L213 HydrophobicContact CD1-CD1 4.09Å; I144-L213 HydrophobicContact CG1-CB 4.41Å; I144-L213 HydrophobicContact CG1-CD1 3.9Å; V146-L213 HydrophobicContact CG1-CD1 3.8Å; V146-L213 HydrophobicContact CG1-CG 4.11Å; V146-L213 PolarHBondContact O-N 3.21Å; A148-L213 HydrophobicContact CB-CD1 4.3Å; A148-L213 HydrophobicContact CB-CD2 3.89Å; A148-L213 HydrophobicContact CB-CG 4.02Å; K195-L213 HydrophobicContact CB-CB 4.46Å; K195-L213 HydrophobicContact CB-CD2 3.76Å; K195-L213 WeakPolarHBondContact CD-O 3.01Å; K195-L213 HydrophobicContact CG-CB 4.46Å; K195-L213 HydrophobicContact CG-CD2 4.38Å; L196-L213 HydrophobicContact CD2-CD2 4.47Å; V211-L213 HydrophobicContact CG1-CD2 4.46Å
214	L	94.4	Very high	96.6	Very high	97 Å²	97	45.5 Å²	45.5	51%	0.508	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.7	-39	176.1	-174.9	63.2	0	0	0	113.3	I144 D145 N212	I144-L214 WeakPolarHBondContact O-CB 3.16Å; I144-L214 PolarHBondContact O-N 3.48Å; D145-L214 HydrophobicContact CB-CD2 4.1Å; N212-L214 PolarHBondContact O-N 3.38Å; N212-L214 PolarHBondContact OD1-N 3.5Å; N212-L214 VanDerWaalsContact OD1-N 3.11Å
215	R	95.5	Very high	96.5	Very high	179 Å²	179	45.7 Å²	45.7	68%	0.675	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.9	-7.6	-167.6	-62.3	-174.8	-77.7	163.8	-9.1	114.6	D145 N212	D145-R215 IonicContact OD1-CZ 2.75Å; D145-R215 IonicContact OD1-NE 3.89Å; D145-R215 PolarHBondContact OD1-NE 2.83Å; D145-R215 IonicContact OD1-NH2 2.66Å; D145-R215 PolarHBondContact OD1-NH2 3Å; D145-R215 IonicContact OD2-CZ 2.81Å; D145-R215 IonicContact OD2-NE 3.51Å; D145-R215 IonicContact OD2-NH2 3.42Å; D145-R215 PolarHBondContact OD2-NH2 3.48Å; N212-R215 HydrophobicContact CB-CB 4.1Å; N212-R215 PolarHBondContact O-N 2.95Å; N212-R215 WeakPolarHBondContact OD1-CB 3.38Å; N212-R215 PolarHBondContact OD1-N 3.36Å
216	G	96.1	Very high	96.5	Very high	13 Å²	13	47 Å²	47	13%	0.134	27%	0.272	C	S	.	.	B	Isolated β-bridge	trans	76.5	-156.1	-174.4	0	0	0	0	0	113.1	N212	N212-G216 WeakPolarHBondContact CB-O 3.32Å; N212-G216 PolarHBondContact N-O 2.95Å; N212-G216 WeakPolarHBondContact O-CA 3.4Å; N212-G216 PolarHBondContact O-N 3.04Å
217	V	97.1	Very high	96.5	Very high	37 Å²	37	47 Å²	47	22%	0.224	27%	0.272	C	S	.	.	S	Bend	trans	-75.7	132.1	-174.9	-176.2	0	0	0	0	111.1	P198 A199 Y208 V211 E221	P198-V217 HydrophobicContact CB-CG2 4.35Å; P198-V217 WeakPolarHBondContact O-CG2 3.35Å; A199-V217 HydrophobicContact CB-CG2 4.32Å; Y208-V217 HydrophobicContact CD1-CG1 4.31Å; Y208-V217 HydrophobicContact CD2-CB 4.49Å; Y208-V217 HydrophobicContact CD2-CG1 3.75Å; Y208-V217 HydrophobicContact CD2-CG2 4.12Å; Y208-V217 HydrophobicContact CE2-CG1 4.1Å; Y208-V217 HydrophobicContact CG-CG1 3.86Å; V211-V217 HydrophobicContact CG2-CG2 4.12Å; V217-E221 HydrophobicContact CG1-CB 3.78Å; V217-E221 HydrophobicContact CG1-CG 4.09Å
218	S	95.7	Very high	96.5	Very high	50 Å²	50	47.1 Å²	47.1	35%	0.35	27%	0.272	S	S	.	.			trans	-65.3	137.8	173.6	179.2	0	0	0	0	111	S220 E221	S218-S220 PolarHBondContact O-N 3.23Å; S218-S220 PolarHBondContact OG-N 3.43Å; S218-S220 PolarHBondContact OG-OG 2.83Å; S218-E221 VanDerWaalsContact O-CB 3.23Å; S218-E221 WeakPolarHBondContact O-CB 3.3Å; S218-E221 PolarHBondContact O-N 3.26Å
219	P	93.3	Very high	96.5	Very high	142 Å²	142	44.9 Å²	44.9	92%	0.922	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.1	-18.4	172.4	-25	34.6	0	0	0	114.7
220	S	94.6	Very high	96.6	Very high	107 Å²	107	44 Å²	44	75%	0.748	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.2	3.4	177	69.3	0	0	0	0	113.7	S218	S218-S220 PolarHBondContact O-N 3.23Å; S218-S220 PolarHBondContact OG-N 3.43Å; S218-S220 PolarHBondContact OG-OG 2.83Å
221	E	96.7	Very high	96.6	Very high	45 Å²	45	41.9 Å²	41.9	21%	0.21	24%	0.243	C	C	.	.			trans	-64.7	138.6	-178.6	-175.4	59.2	-165.9	0	0	110.9	Y208 T210 V217 S218	Y208-E221 HydrophobicContact CD1-CB 4.17Å; Y208-E221 HydrophobicContact CD1-CG 3.64Å; Y208-E221 HydrophobicContact CE1-CB 4.45Å; Y208-E221 HydrophobicContact CE1-CG 4.37Å; Y208-E221 HydrophobicContact CG-CG 4.16Å; T210-E221 WeakPolarHBondContact CB-OE1 3.17Å; T210-E221 PolarHBondContact N-OE1 3.25Å; T210-E221 PolarHBondContact OG1-OE1 2.96Å; V217-E221 HydrophobicContact CG1-CB 3.78Å; V217-E221 HydrophobicContact CG1-CG 4.09Å; S218-E221 VanDerWaalsContact O-CB 3.23Å; S218-E221 WeakPolarHBondContact O-CB 3.3Å; S218-E221 PolarHBondContact O-N 3.26Å
222	T	97	Very high	96.7	Very high	70 Å²	70	41.9 Å²	41.9	43%	0.429	24%	0.243	S	C	.	.			trans	-68.6	132.9	177.7	176.2	0	0	0	0	110.4	Y208 V224	Y208-T222 WeakPolarHBondContact CD1-O 3.35Å; T222-V224 PolarHBondContact O-N 2.84Å; T222-V224 PolarHBondContact OG1-N 2.76Å; T222-V224 VanDerWaalsContact OG1-N 3.14Å
223	P	97.2	Very high	96.9	Very high	36 Å²	36	41.6 Å²	41.6	23%	0.234	24%	0.241	C	C	.	.	S	Bend	trans	-75.9	-0.1	172.1	34.1	-36.5	0	0	0	112.4	Y208 D275 I276 V277	Y208-P223 HydrophobicContact CE1-CB 4.22Å; P223-D275 WeakPolarHBondContact O-CA 3.43Å; P223-I276 HydrophobicContact CB-CG1 4.03Å; P223-I276 VanDerWaalsContact O-CG1 3.26Å; P223-I276 WeakPolarHBondContact O-CG1 3.31Å; P223-I276 WeakPolarHBondContact O-CG2 3.48Å; P223-I276 PolarHBondContact O-N 3.02Å; P223-V277 HydrophobicContact CB-CG2 3.86Å
224	V	98.2	Very high	97.1	Very high	41 Å²	41	41.2 Å²	41.2	25%	0.248	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91	122.2	-178.8	-175.9	0	0	0	0	109.9	T222 H273 I274 D275 V282	T222-V224 PolarHBondContact O-N 2.84Å; T222-V224 PolarHBondContact OG1-N 2.76Å; T222-V224 VanDerWaalsContact OG1-N 3.14Å; V224-H273 HydrophobicContact CG1-CB 4.06Å; V224-I274 WeakPolarHBondContact CA-O 3.21Å; V224-D275 HydrophobicContact CG2-CB 4.34Å; V224-V282 HydrophobicContact CG1-CB 4.19Å; V224-V282 HydrophobicContact CG1-CG1 4.47Å; V224-V282 HydrophobicContact CG1-CG2 4.06Å; V224-V282 HydrophobicContact CG2-CG2 3.95Å
225	T	97.4	Very high	97.3	Very high	11 Å²	11	36.6 Å²	36.6	7%	0.067	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	165.5	176	-169.4	0	0	0	0	110.5	V230 H273 I274 I276	T225-V230 HydrophobicContact CG2-CG2 3.39Å; T225-H273 CarbonylContact O-C 3.6Å; T225-H273 VanDerWaalsContact O-CA 3.27Å; T225-H273 WeakPolarHBondContact O-CA 3.43Å; T225-I274 HydrophobicContact CG2-CG2 4.42Å; T225-I274 PolarHBondContact N-O 2.8Å; T225-I274 PolarHBondContact O-N 3.45Å; T225-I276 HydrophobicContact CG2-CG2 3.46Å; T225-I276 VanDerWaalsContact CG2-CG2 3.46Å
226	C	97.8	Very high	97.4	Very high	28 Å²	28	28.1 Å²	28.1	19%	0.189	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80	160.2	175.2	64.9	0	0	0	0	111.9	A228 G229 V230 N272	C226-A228 VanDerWaalsContact C-N 3.35Å; C226-A228 PolarHBondContact O-N 3.05Å; C226-G229 WeakPolarHBondContact O-CA 3.4Å; C226-G229 PolarHBondContact O-N 3.08Å; C226-G229 VanDerWaalsContact O-N 3.1Å; C226-G229 PolarHBondContact SG-N 3.27Å; C226-V230 PolarHBondContact O-N 2.94Å; C226-N272 CarbonylContact C-O 3.5Å; C226-N272 WeakPolarHBondContact CA-O 3.31Å
227	T	98.4	Very high	97.6	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	18%	0.176	C	C	.	.	S	Bend	trans	-59.2	-44.2	179	-63	0	0	0	0	112.1	G229 V230 G231 L260 V270 G271 N272 W281 G291 V292 Y295	T227-G229 VanDerWaalsContact C-N 3.3Å; T227-G229 PolarHBondContact O-N 3.45Å; T227-V230 PolarHBondContact O-N 2.75Å; T227-V230 VanDerWaalsContact O-N 3.12Å; T227-G231 PolarHBondContact O-N 2.81Å; T227-L260 HydrophobicContact CG2-CD1 4.36Å; T227-L260 HydrophobicContact CG2-CD2 3.94Å; T227-V270 HydrophobicContact CG2-CG2 4.06Å; T227-G271 PolarHBondContact OG1-O 2.87Å; T227-N272 PolarHBondContact N-O 3.27Å; T227-N272 PolarHBondContact OG1-O 3.1Å; T227-W281 WeakPolarHBondContact OG1-CH2 3.36Å; T227-W281 VanDerWaalsContact OG1-CZ3 3.24Å; T227-W281 WeakPolarHBondContact OG1-CZ3 3.31Å; T227-G291 WeakPolarHBondContact CB-O 3.37Å; T227-G291 PolarHBondContact N-O 2.77Å; T227-G291 VanDerWaalsContact N-O 3.09Å; T227-V292 HydrophobicContact CG2-CG1 4.07Å; T227-Y295 HydrophobicContact CG2-CD1 3.56Å; T227-Y295 HydrophobicContact CG2-CE1 4.2Å; T227-Y295 HydrophobicContact CG2-CG 4.08Å
228	A	98.3	Very high	97.6	Very high	2 Å²	2	25.7 Å²	25.7	2%	0.017	17%	0.166	C	C	.	.	H	α-helix	trans	-58.5	-41.6	173.2	0	0	0	0	0	111.8	F151 C226 V230 G231 T232 G291 S294	F151-A228 HydrophobicContact CE2-CB 4.29Å; C226-A228 VanDerWaalsContact C-N 3.35Å; C226-A228 PolarHBondContact O-N 3.05Å; A228-V230 PolarHBondContact O-N 2.74Å; A228-V230 VanDerWaalsContact O-N 3.08Å; A228-G231 PolarHBondContact O-N 3.42Å; A228-G231 VanDerWaalsContact O-N 3.16Å; A228-T232 VanDerWaalsContact O-CB 3.24Å; A228-T232 WeakPolarHBondContact O-CB 3.43Å; A228-T232 PolarHBondContact O-N 2.89Å; A228-T232 VanDerWaalsContact O-N 3.14Å; A228-T232 PolarHBondContact O-OG1 2.77Å; A228-G291 PolarHBondContact N-O 3.43Å; A228-S294 WeakPolarHBondContact CB-OG 3.41Å
229	G	98.1	Very high	97.7	Very high	4 Å²	4	23.3 Å²	23.3	4%	0.041	15%	0.149	C	C	.	.	H	α-helix	trans	-64.9	-9.9	177.1	0	0	0	0	0	114.9	P207 C226 T227 F233	P207-G229 WeakPolarHBondContact CG-O 3.39Å; C226-G229 WeakPolarHBondContact O-CA 3.4Å; C226-G229 PolarHBondContact O-N 3.08Å; C226-G229 VanDerWaalsContact O-N 3.1Å; C226-G229 PolarHBondContact SG-N 3.27Å; T227-G229 VanDerWaalsContact C-N 3.3Å; T227-G229 PolarHBondContact O-N 3.45Å; G229-F233 VanDerWaalsContact O-CE2 3.25Å; G229-F233 WeakPolarHBondContact O-CE2 3.42Å
230	V	98.6	Very high	97.9	Very high	1 Å²	1	16.6 Å²	16.6	1%	0.006	11%	0.105	C	C	.	.	H	α-helix	trans	-103.3	-38.2	170.4	177.4	0	0	0	0	111.6	M206 T225 C226 T227 A228 F233 A256 L260 I274 I276	M206-V230 HydrophobicContact CB-CG1 3.84Å; M206-V230 HydrophobicContact CB-CG2 4.17Å; M206-V230 HydrophobicContact CG-CG1 3.57Å; M206-V230 HydrophobicContact SD-CG1 4Å; T225-V230 HydrophobicContact CG2-CG2 3.39Å; C226-V230 PolarHBondContact O-N 2.94Å; T227-V230 PolarHBondContact O-N 2.75Å; T227-V230 VanDerWaalsContact O-N 3.12Å; A228-V230 PolarHBondContact O-N 2.74Å; A228-V230 VanDerWaalsContact O-N 3.08Å; V230-F233 WeakPolarHBondContact O-CD2 3.35Å; V230-A256 HydrophobicContact CG1-CB 4.21Å; V230-L260 HydrophobicContact CB-CD2 4.09Å; V230-L260 HydrophobicContact CG1-CB 3.94Å; V230-L260 HydrophobicContact CG1-CD1 4.44Å; V230-L260 HydrophobicContact CG1-CD2 3.96Å; V230-L260 HydrophobicContact CG1-CG 4.34Å; V230-I274 HydrophobicContact CG2-CG2 4.43Å; V230-I276 HydrophobicContact CG2-CG2 4.43Å
231	G	98.1	Very high	98.1	Very high	1 Å²	1	11.8 Å²	11.8	1%	0.01	7%	0.072	C	C	.	.	H	α-helix	trans	-87.5	-9.6	-168.4	0	0	0	0	0	116.3	T227 A228 F233	T227-G231 PolarHBondContact O-N 2.81Å; A228-G231 PolarHBondContact O-N 3.42Å; A228-G231 VanDerWaalsContact O-N 3.16Å; G231-F233 PolarHBondContact O-N 2.94Å
232	T	98.8	Very high	97.9	Very high	0 Å²	0	13 Å²	13	0%	0	8%	0.075	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.6	57.2	-163	-45.3	0	0	0	0	112.6	F151 N154 I155 A228 S294 Y298 T513	F151-T232 HydrophobicContact CD2-CG2 4.31Å; F151-T232 HydrophobicContact CE2-CG2 3.65Å; N154-T232 PolarHBondContact ND2-O 2.57Å; I155-T232 HydrophobicContact CG2-CG2 3.84Å; A228-T232 VanDerWaalsContact O-CB 3.24Å; A228-T232 WeakPolarHBondContact O-CB 3.43Å; A228-T232 PolarHBondContact O-N 2.89Å; A228-T232 VanDerWaalsContact O-N 3.14Å; A228-T232 PolarHBondContact O-OG1 2.77Å; T232-S294 WeakPolarHBondContact CG2-OG 3.45Å; T232-S294 PolarHBondContact OG1-OG 2.92Å; T232-Y298 VanDerWaalsContact C-CD1 3.47Å; T232-Y298 VanDerWaalsContact CA-CD1 3.46Å; T232-Y298 HydrophobicContact CG2-CD1 3.88Å; T232-Y298 HydrophobicContact CG2-CD2 3.73Å; T232-Y298 HydrophobicContact CG2-CE1 3.51Å; T232-Y298 HydrophobicContact CG2-CE2 3.37Å; T232-Y298 HydrophobicContact CG2-CG 3.97Å; T232-T513 HydrophobicContact CG2-CG2 3.9Å
233	F	98.8	Very high	97.8	Very high	2 Å²	2	9.9 Å²	9.9	1%	0.009	6%	0.055	C	C	.	.	T	Hydrogen-bonded Turn	trans	-133.9	-20.2	179	-60.4	-84.1	0	0	0	114.4	V150 N154 F200 P207 G229 V230 G231 L235 E236 F237 A253	V150-F233 HydrophobicContact CG1-CE1 3.79Å; V150-F233 HydrophobicContact CG1-CZ 3.8Å; N154-F233 HydrophobicContact CB-CD1 3.77Å; N154-F233 HydrophobicContact CB-CE1 3.69Å; F200-F233 HydrophobicContact CE1-CD2 4.23Å; F200-F233 HydrophobicContact CE1-CE2 4.48Å; F200-F233 HydrophobicContact CE1-CG 4.43Å; F200-F233 HydrophobicContact CE2-CD1 4.5Å; F200-F233 HydrophobicContact CE2-CE1 4.4Å; F200-F233 AromaticContact CZ-CD1 3.82Å; F200-F233 HydrophobicContact CZ-CD1 3.82Å; F200-F233 AromaticContact CZ-CD2 3.85Å; F200-F233 HydrophobicContact CZ-CD2 3.85Å; F200-F233 AromaticContact CZ-CE1 3.93Å; F200-F233 HydrophobicContact CZ-CE1 3.93Å; F200-F233 AromaticContact CZ-CE2 3.95Å; F200-F233 HydrophobicContact CZ-CE2 3.95Å; F200-F233 AromaticContact CZ-CG 3.79Å; F200-F233 HydrophobicContact CZ-CG 3.79Å; F200-F233 HydrophobicContact CZ-CZ 4Å; P207-F233 HydrophobicContact CG-CE2 3.75Å; P207-F233 HydrophobicContact CG-CZ 4.12Å; G229-F233 VanDerWaalsContact O-CE2 3.25Å; G229-F233 WeakPolarHBondContact O-CE2 3.42Å; V230-F233 WeakPolarHBondContact O-CD2 3.35Å; G231-F233 PolarHBondContact O-N 2.94Å; F233-L235 PolarHBondContact O-N 3.48Å; F233-L235 VanDerWaalsContact O-N 3.15Å; F233-E236 PolarHBondContact O-N 3.28Å; F233-F237 HydrophobicContact CB-CD1 4.44Å; F233-F237 HydrophobicContact CB-CD2 4.29Å; F233-F237 HydrophobicContact CB-CG 4.22Å; F233-F237 HydrophobicContact CD1-CE1 4.15Å; F233-F237 HydrophobicContact CD1-CE2 4.5Å; F233-F237 HydrophobicContact CD1-CZ 4.12Å; F233-F237 VanDerWaalsContact O-CB 3.25Å; F233-F237 WeakPolarHBondContact O-CB 3.34Å; F233-F237 PolarHBondContact O-N 3Å; F233-A253 HydrophobicContact CB-CB 3.91Å
234	I	98.7	Very high	97.7	Very high	0 Å²	0	9.9 Å²	9.9	0%	0	6%	0.055	C	C	.	.	H	α-helix	trans	-62.6	-28	-168.3	-167	59.1	0	0	0	113.3	A238 E250 A253 R254 L257 Y298 L306 L311	I234-A238 HydrophobicContact CD1-CB 4.39Å; I234-A238 WeakPolarHBondContact O-CB 3.33Å; I234-A238 PolarHBondContact O-N 3.24Å; I234-A238 VanDerWaalsContact O-N 3.12Å; I234-E250 HydrophobicContact CD1-CG 4.23Å; I234-A253 HydrophobicContact CB-CB 4.42Å; I234-A253 HydrophobicContact CD1-CB 3.99Å; I234-R254 HydrophobicContact CD1-CG 3.73Å; I234-L257 HydrophobicContact CB-CD1 3.82Å; I234-L257 HydrophobicContact CD1-CD1 4.41Å; I234-L257 HydrophobicContact CG1-CD1 4.07Å; I234-L257 HydrophobicContact CG2-CD1 4.17Å; I234-Y298 HydrophobicContact CG2-CD1 3.93Å; I234-Y298 HydrophobicContact CG2-CG 4.41Å; I234-L306 HydrophobicContact CD1-CD1 4.36Å; I234-L306 HydrophobicContact CG1-CD1 4.02Å; I234-L311 HydrophobicContact CG1-CD1 4.14Å
235	L	98.7	Very high	97.4	Very high	0 Å²	0	10 Å²	10	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-68.3	-59.2	177.7	-65.3	-176.3	0	0	0	111.2	F233 A239 Y298 K301 M305 N512 L518	F233-L235 PolarHBondContact O-N 3.48Å; F233-L235 VanDerWaalsContact O-N 3.15Å; L235-A239 VanDerWaalsContact O-CB 3.25Å; L235-A239 WeakPolarHBondContact O-CB 3.12Å; L235-A239 PolarHBondContact O-N 2.78Å; L235-Y298 HydrophobicContact CB-CD1 4.27Å; L235-Y298 HydrophobicContact CB-CE1 3.83Å; L235-Y298 HydrophobicContact CD1-CD1 4.28Å; L235-Y298 HydrophobicContact CD1-CD2 3.92Å; L235-Y298 HydrophobicContact CD1-CE1 4.08Å; L235-Y298 HydrophobicContact CD1-CE2 3.67Å; L235-Y298 HydrophobicContact CD1-CG 4.23Å; L235-Y298 HydrophobicContact CG-CD1 3.87Å; L235-Y298 HydrophobicContact CG-CD2 4.36Å; L235-Y298 HydrophobicContact CG-CE1 3.84Å; L235-Y298 HydrophobicContact CG-CE2 4.31Å; L235-Y298 HydrophobicContact CG-CG 4.16Å; L235-K301 HydrophobicContact CD1-CB 3.96Å; L235-K301 HydrophobicContact CD2-CB 4.23Å; L235-M305 HydrophobicContact CB-CE 4.41Å; L235-M305 HydrophobicContact CD2-CB 4.36Å; L235-M305 HydrophobicContact CD2-CE 3.73Å; L235-M305 HydrophobicContact CD2-SD 4Å; L235-M305 WeakPolarHBondContact O-CE 3.4Å; L235-N512 HydrophobicContact CD1-CB 4Å; L235-L518 HydrophobicContact CB-CD1 4.07Å
236	E	98.8	Very high	97.3	Very high	0 Å²	0	11.1 Å²	11.1	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-66.9	-46	-177.2	-63.3	70.7	-149.7	0	0	111.2	N154 V158 L162 F233 A238 A239 L240 Y298 N512	N154-E236 PolarHBondContact ND2-OE2 3.19Å; N154-E236 WeakPolarHBondContact OD1-CB 3.23Å; V158-E236 HydrophobicContact CB-CB 4.5Å; V158-E236 HydrophobicContact CG1-CB 3.93Å; V158-E236 HydrophobicContact CG1-CG 4.38Å; L162-E236 HydrophobicContact CD1-CB 3.98Å; L162-E236 HydrophobicContact CD1-CG 4.33Å; F233-E236 PolarHBondContact O-N 3.28Å; E236-A238 PolarHBondContact O-N 3.34Å; E236-A239 PolarHBondContact O-N 2.79Å; E236-L240 WeakPolarHBondContact O-CB 3.34Å; E236-L240 PolarHBondContact O-N 3.31Å; E236-Y298 PolarHBondContact OE1-OH 3.35Å; E236-Y298 VanDerWaalsContact OE2-CE1 3.31Å; E236-Y298 WeakPolarHBondContact OE2-CE1 3.23Å; E236-Y298 PolarHBondContact OE2-OH 3.27Å; E236-N512 WeakPolarHBondContact OE1-CB 3.15Å; E236-N512 PolarHBondContact OE1-ND2 2.82Å
237	F	98.8	Very high	97.2	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-70.7	-35.5	-175.2	-81.6	27.3	0	0	0	111.7	N154 A193 L196 L197 F200 F233 S241 F249 E250 A253	N154-F237 WeakPolarHBondContact OD1-CD1 3.44Å; N154-F237 WeakPolarHBondContact OD1-CE1 3.42Å; A193-F237 HydrophobicContact CB-CE1 4.23Å; L196-F237 HydrophobicContact CB-CZ 4.48Å; L197-F237 HydrophobicContact CD2-CE2 4.26Å; F200-F237 HydrophobicContact CD2-CE2 4.44Å; F200-F237 AromaticContact CE2-CE2 3.74Å; F200-F237 HydrophobicContact CE2-CE2 3.74Å; F200-F237 AromaticContact CE2-CZ 3.96Å; F200-F237 HydrophobicContact CE2-CZ 3.96Å; F200-F237 AromaticContact CZ-CE2 3.78Å; F200-F237 HydrophobicContact CZ-CE2 3.78Å; F200-F237 HydrophobicContact CZ-CZ 4.22Å; F233-F237 HydrophobicContact CB-CD1 4.44Å; F233-F237 HydrophobicContact CB-CD2 4.29Å; F233-F237 HydrophobicContact CB-CG 4.22Å; F233-F237 HydrophobicContact CD1-CE1 4.15Å; F233-F237 HydrophobicContact CD1-CE2 4.5Å; F233-F237 HydrophobicContact CD1-CZ 4.12Å; F233-F237 VanDerWaalsContact O-CB 3.25Å; F233-F237 WeakPolarHBondContact O-CB 3.34Å; F233-F237 PolarHBondContact O-N 3Å; F237-S241 WeakPolarHBondContact O-CB 3.25Å; F237-S241 PolarHBondContact O-N 2.91Å; F237-S241 PolarHBondContact O-OG 3.47Å; F237-F249 HydrophobicContact CB-CB 3.74Å; F237-F249 HydrophobicContact CD2-CB 3.93Å; F237-F249 VanDerWaalsContact CD2-O 3.26Å; F237-F249 WeakPolarHBondContact CD2-O 3.29Å; F237-F249 HydrophobicContact CG-CB 3.84Å; F237-F249 WeakPolarHBondContact O-CB 3.45Å; F237-E250 PolarHBondContact O-N 3.28Å; F237-A253 HydrophobicContact CB-CB 3.95Å; F237-A253 HydrophobicContact CD2-CB 4.11Å; F237-A253 HydrophobicContact CG-CB 4.39Å
238	A	98.2	Very high	97.2	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-69.2	-45	170.6	0	0	0	0	0	110.9	I234 E236 L240 S241 R242 E250 M305 L306	I234-A238 HydrophobicContact CD1-CB 4.39Å; I234-A238 WeakPolarHBondContact O-CB 3.33Å; I234-A238 PolarHBondContact O-N 3.24Å; I234-A238 VanDerWaalsContact O-N 3.12Å; E236-A238 PolarHBondContact O-N 3.34Å; A238-L240 VanDerWaalsContact C-N 3.33Å; A238-L240 PolarHBondContact O-N 3.1Å; A238-S241 PolarHBondContact O-N 3.4Å; A238-S241 VanDerWaalsContact O-N 3.13Å; A238-R242 WeakPolarHBondContact O-CB 3.31Å; A238-R242 WeakPolarHBondContact O-CG 3.46Å; A238-R242 PolarHBondContact O-N 3.44Å; A238-E250 HydrophobicContact CB-CB 4.38Å; A238-E250 HydrophobicContact CB-CG 3.9Å; A238-M305 HydrophobicContact CB-CE 4.39Å; A238-L306 HydrophobicContact CB-CD1 3.73Å; A238-L306 HydrophobicContact CB-CD2 3.79Å; A238-L306 HydrophobicContact CB-CG 4.35Å
239	A	97.9	Very high	97.2	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-55	-48.1	176.5	0	0	0	0	0	111.8	L162 M166 L235 E236 S241 R242 L243 L518 L523	L162-A239 HydrophobicContact CD1-CB 3.99Å; M166-A239 HydrophobicContact CE-CB 4.28Å; L235-A239 VanDerWaalsContact O-CB 3.25Å; L235-A239 WeakPolarHBondContact O-CB 3.12Å; L235-A239 PolarHBondContact O-N 2.78Å; E236-A239 PolarHBondContact O-N 2.79Å; A239-S241 PolarHBondContact O-N 2.86Å; A239-R242 PolarHBondContact O-N 3.34Å; A239-L243 WeakPolarHBondContact O-CB 3.2Å; A239-L243 VanDerWaalsContact O-CG 3.24Å; A239-L243 WeakPolarHBondContact O-CG 2.96Å; A239-L243 PolarHBondContact O-N 3.46Å; A239-L518 HydrophobicContact CB-CD1 4.47Å; A239-L523 HydrophobicContact CB-CD1 4.17Å; A239-L523 HydrophobicContact CB-CD2 4.21Å; A239-L523 HydrophobicContact CB-CG 4.37Å
240	L	97.9	Very high	97.2	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-56.1	-50	173.9	-83	171.8	0	0	0	112.4	V158 L162 L186 A189 E190 A193 E236 A238 R242 L243 T244 F249	V158-L240 HydrophobicContact CG1-CD1 3.59Å; V158-L240 HydrophobicContact CG1-CG 4.28Å; L162-L240 HydrophobicContact CD1-CG 4.15Å; L162-L240 HydrophobicContact CD2-CD2 3.76Å; L162-L240 HydrophobicContact CD2-CG 4Å; L162-L240 HydrophobicContact CG-CD2 4.44Å; L162-L240 HydrophobicContact CG-CG 4.41Å; L186-L240 HydrophobicContact CD1-CD2 3.96Å; A189-L240 HydrophobicContact CB-CD2 4.01Å; E190-L240 HydrophobicContact CB-CD2 4.29Å; A193-L240 HydrophobicContact CB-CD1 3.31Å; E236-L240 WeakPolarHBondContact O-CB 3.34Å; E236-L240 PolarHBondContact O-N 3.31Å; A238-L240 VanDerWaalsContact C-N 3.33Å; A238-L240 PolarHBondContact O-N 3.1Å; L240-R242 VanDerWaalsContact C-N 3.27Å; L240-R242 PolarHBondContact O-N 2.69Å; L240-L243 PolarHBondContact O-N 3.4Å; L240-T244 WeakPolarHBondContact O-CB 3.34Å; L240-T244 WeakPolarHBondContact O-CG2 3.28Å; L240-T244 PolarHBondContact O-N 3.16Å; L240-T244 PolarHBondContact O-OG1 3.15Å; L240-F249 HydrophobicContact CB-CD2 4.16Å; L240-F249 HydrophobicContact CB-CG 4.37Å; L240-F249 HydrophobicContact CD1-CD1 4.36Å; L240-F249 HydrophobicContact CD1-CG 4.46Å
241	S	97.4	Very high	97.2	Very high	7 Å²	7	20.6 Å²	20.6	5%	0.049	13%	0.128	C	C	.	.	H	α-helix	trans	-62.2	-37.7	-177.9	-56.6	0	0	0	0	112.2	F237 A238 A239 G245 D246 F249 E250	F237-S241 WeakPolarHBondContact O-CB 3.25Å; F237-S241 PolarHBondContact O-N 2.91Å; F237-S241 PolarHBondContact O-OG 3.47Å; A238-S241 PolarHBondContact O-N 3.4Å; A238-S241 VanDerWaalsContact O-N 3.13Å; A239-S241 PolarHBondContact O-N 2.86Å; S241-G245 CarbonylContact O-C 3.6Å; S241-G245 WeakPolarHBondContact O-CA 3.21Å; S241-G245 PolarHBondContact O-N 3.24Å; S241-D246 WeakPolarHBondContact CA-O 3.46Å; S241-D246 WeakPolarHBondContact CB-O 3.21Å; S241-D246 PolarHBondContact OG-O 2.75Å; S241-D246 VanDerWaalsContact OG-O 3.08Å; S241-F249 WeakPolarHBondContact OG-CB 3.25Å; S241-E250 WeakPolarHBondContact OG-CB 3.22Å; S241-E250 PolarHBondContact OG-N 2.65Å
242	R	93.8	Very high	97.2	Very high	71 Å²	71	21.4 Å²	21.4	27%	0.268	14%	0.135	S	C	.	.	H	α-helix	trans	-75.6	-35.6	-178.2	-61.3	-70.7	171.5	135.3	7.5	112.2	A238 A239 L240 E250 L523 C526 S527	A238-R242 WeakPolarHBondContact O-CB 3.31Å; A238-R242 WeakPolarHBondContact O-CG 3.46Å; A238-R242 PolarHBondContact O-N 3.44Å; A239-R242 PolarHBondContact O-N 3.34Å; L240-R242 VanDerWaalsContact C-N 3.27Å; L240-R242 PolarHBondContact O-N 2.69Å; R242-E250 IonicContact CZ-OE1 2.87Å; R242-E250 IonicContact CZ-OE2 3.99Å; R242-E250 IonicContact NE-OE1 2.79Å; R242-E250 IonicContact NE-OE2 2.86Å; R242-E250 PolarHBondContact NE-OE2 3.43Å; R242-E250 IonicContact NH2-OE1 2.76Å; R242-E250 PolarHBondContact NH2-OE1 2.82Å; R242-E250 IonicContact NH2-OE2 3.3Å; R242-E250 PolarHBondContact NH2-OE2 3.18Å; R242-E250 VanDerWaalsContact NH2-OE2 3.14Å; R242-L523 HydrophobicContact CB-CB 4.08Å; R242-L523 HydrophobicContact CB-CG 4.07Å; R242-C526 WeakPolarHBondContact O-CB 3.26Å; R242-S527 WeakPolarHBondContact CD-OG 3.48Å
243	L	94.4	Very high	97.2	Very high	4 Å²	4	21.5 Å²	21.5	2%	0.021	14%	0.136	C	C	.	.	H	α-helix	trans	-75	-44.1	176.9	-68.8	175.7	0	0	0	112.4	L162 M166 L186 A239 L240 A522 L523 C526	L162-L243 HydrophobicContact CD2-CD1 3.84Å; M166-L243 HydrophobicContact CE-CD1 3.7Å; M166-L243 HydrophobicContact CE-CG 4.44Å; L186-L243 HydrophobicContact CD1-CB 3.99Å; L186-L243 HydrophobicContact CD1-CD1 3.74Å; L186-L243 HydrophobicContact CD2-CB 3.91Å; A239-L243 WeakPolarHBondContact O-CB 3.2Å; A239-L243 VanDerWaalsContact O-CG 3.24Å; A239-L243 WeakPolarHBondContact O-CG 2.96Å; A239-L243 PolarHBondContact O-N 3.46Å; L240-L243 PolarHBondContact O-N 3.4Å; L243-A522 HydrophobicContact CD2-CB 4.21Å; L243-L523 HydrophobicContact CD2-CD1 4.5Å; L243-C526 HydrophobicContact CD2-CB 4.36Å
244	T	94.8	Very high	97.2	Very high	36 Å²	36	24.3 Å²	24.3	22%	0.221	15%	0.147	C	C	.	.	H	α-helix	trans	-86.4	-29	-175.5	63.2	0	0	0	0	113	L186 L240 D246	L186-T244 HydrophobicContact CD1-CG2 4.1Å; L186-T244 HydrophobicContact CD2-CG2 4.22Å; L186-T244 HydrophobicContact CG-CG2 4.18Å; L240-T244 WeakPolarHBondContact O-CB 3.34Å; L240-T244 WeakPolarHBondContact O-CG2 3.28Å; L240-T244 PolarHBondContact O-N 3.16Å; L240-T244 PolarHBondContact O-OG1 3.15Å; T244-D246 VanDerWaalsContact C-N 3.35Å; T244-D246 PolarHBondContact OG1-N 3.01Å; T244-D246 VanDerWaalsContact OG1-N 3.16Å
245	G	92.1	Very high	97.2	Very high	43 Å²	43	30.3 Å²	30.3	44%	0.443	17%	0.169	S	C	.	.			trans	84.2	1.7	-169.6	0	0	0	0	0	114.5	S241 P247	S241-G245 CarbonylContact O-C 3.6Å; S241-G245 WeakPolarHBondContact O-CA 3.21Å; S241-G245 PolarHBondContact O-N 3.24Å; G245-P247 WeakPolarHBondContact O-CD 3.29Å
246	D	94.6	Very high	97.2	Very high	34 Å²	34	30.3 Å²	30.3	18%	0.182	17%	0.169	C	C	.	.			trans	-84.8	111.2	174.8	-176.2	-9.6	0	0	0	110.6	R194 S241 T244 T248 F249	R194-D246 IonicContact CZ-OD2 2.72Å; R194-D246 IonicContact NH1-OD2 3.4Å; R194-D246 PolarHBondContact NH1-OD2 2.98Å; R194-D246 VanDerWaalsContact NH1-OD2 3.1Å; R194-D246 IonicContact NH2-OD2 3.63Å; R194-D246 PolarHBondContact NH2-OD2 2.85Å; S241-D246 WeakPolarHBondContact CA-O 3.46Å; S241-D246 WeakPolarHBondContact CB-O 3.21Å; S241-D246 PolarHBondContact OG-O 2.75Å; S241-D246 VanDerWaalsContact OG-O 3.08Å; T244-D246 VanDerWaalsContact C-N 3.35Å; T244-D246 PolarHBondContact OG1-N 3.01Å; T244-D246 VanDerWaalsContact OG1-N 3.16Å; D246-T248 PolarHBondContact O-N 3.3Å; D246-T248 WeakPolarHBondContact OD1-CB 3.34Å; D246-T248 PolarHBondContact OD1-N 2.66Å; D246-T248 PolarHBondContact OD1-OG1 3.11Å; D246-F249 HydrophobicContact CB-CD2 4.48Å; D246-F249 HydrophobicContact CB-CE2 4.21Å
247	P	95.6	Very high	97.2	Very high	82 Å²	82	30.5 Å²	30.5	53%	0.532	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74	-6.4	-176.3	33.2	-37.8	0	0	0	114	G245 F249 S251	G245-P247 WeakPolarHBondContact O-CD 3.29Å; P247-F249 VanDerWaalsContact C-N 3.32Å; P247-F249 PolarHBondContact O-N 3.1Å; P247-S251 VanDerWaalsContact O-CB 3.23Å; P247-S251 WeakPolarHBondContact O-CB 3.44Å; P247-S251 PolarHBondContact O-N 2.88Å; P247-S251 PolarHBondContact O-OG 3.47Å
248	T	97.8	Very high	97.1	Very high	66 Å²	66	34 Å²	34	41%	0.405	19%	0.192	S	C	.	.	H	α-helix	trans	-58	-43.8	-172	-59	0	0	0	0	111.9	L197 D246 A252	L197-T248 HydrophobicContact CD1-CG2 3.85Å; L197-T248 HydrophobicContact CD2-CG2 4.28Å; D246-T248 PolarHBondContact O-N 3.3Å; D246-T248 WeakPolarHBondContact OD1-CB 3.34Å; D246-T248 PolarHBondContact OD1-N 2.66Å; D246-T248 PolarHBondContact OD1-OG1 3.11Å; T248-A252 WeakPolarHBondContact O-CB 3.41Å; T248-A252 PolarHBondContact O-N 2.94Å
249	F	98.6	Very high	97.2	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-68.3	-54.5	-176.3	-50.8	-82.8	0	0	0	111.1	E190 A193 R194 L197 F237 L240 S241 D246 P247 S251 A252 A253	E190-F249 HydrophobicContact CG-CE2 4.21Å; E190-F249 HydrophobicContact CG-CZ 3.92Å; A193-F249 HydrophobicContact CB-CD1 3.94Å; A193-F249 HydrophobicContact CB-CE1 3.61Å; A193-F249 HydrophobicContact CB-CZ 4.46Å; R194-F249 HydrophobicContact CG-CE1 3.94Å; R194-F249 HydrophobicContact CG-CZ 3.69Å; L197-F249 HydrophobicContact CD1-CD1 4.27Å; L197-F249 HydrophobicContact CD1-CE1 3.93Å; L197-F249 HydrophobicContact CD2-CD1 4.11Å; L197-F249 HydrophobicContact CG-CD1 4.35Å; L197-F249 HydrophobicContact CG-CE1 4.27Å; F237-F249 HydrophobicContact CB-CB 3.74Å; F237-F249 HydrophobicContact CD2-CB 3.93Å; F237-F249 VanDerWaalsContact CD2-O 3.26Å; F237-F249 WeakPolarHBondContact CD2-O 3.29Å; F237-F249 HydrophobicContact CG-CB 3.84Å; F237-F249 WeakPolarHBondContact O-CB 3.45Å; L240-F249 HydrophobicContact CB-CD2 4.16Å; L240-F249 HydrophobicContact CB-CG 4.37Å; L240-F249 HydrophobicContact CD1-CD1 4.36Å; L240-F249 HydrophobicContact CD1-CG 4.46Å; S241-F249 WeakPolarHBondContact OG-CB 3.25Å; D246-F249 HydrophobicContact CB-CD2 4.48Å; D246-F249 HydrophobicContact CB-CE2 4.21Å; P247-F249 VanDerWaalsContact C-N 3.32Å; P247-F249 PolarHBondContact O-N 3.1Å; F249-S251 PolarHBondContact O-N 3.27Å; F249-A252 WeakPolarHBondContact O-CB 3.49Å; F249-A252 PolarHBondContact O-N 3.4Å; F249-A252 VanDerWaalsContact O-N 3.08Å; F249-A253 PolarHBondContact O-N 3.06Å
250	E	98.3	Very high	97.2	Very high	19 Å²	19	34.6 Å²	34.6	9%	0.089	20%	0.196	C	C	.	.	H	α-helix	trans	-59.7	-39.2	-179.6	-171.8	174.4	161.9	0	0	110.7	I234 F237 A238 S241 R242 A252 A253 R254	I234-E250 HydrophobicContact CD1-CG 4.23Å; F237-E250 PolarHBondContact O-N 3.28Å; A238-E250 HydrophobicContact CB-CB 4.38Å; A238-E250 HydrophobicContact CB-CG 3.9Å; S241-E250 WeakPolarHBondContact OG-CB 3.22Å; S241-E250 PolarHBondContact OG-N 2.65Å; R242-E250 IonicContact CZ-OE1 2.87Å; R242-E250 IonicContact CZ-OE2 3.99Å; R242-E250 IonicContact NE-OE1 2.79Å; R242-E250 IonicContact NE-OE2 2.86Å; R242-E250 PolarHBondContact NE-OE2 3.43Å; R242-E250 IonicContact NH2-OE1 2.76Å; R242-E250 PolarHBondContact NH2-OE1 2.82Å; R242-E250 IonicContact NH2-OE2 3.3Å; R242-E250 PolarHBondContact NH2-OE2 3.18Å; R242-E250 VanDerWaalsContact NH2-OE2 3.14Å; E250-A252 PolarHBondContact O-N 3.07Å; E250-A253 PolarHBondContact O-N 3.2Å; E250-R254 HydrophobicContact CG-CG 4.33Å; E250-R254 WeakPolarHBondContact O-CB 3.42Å; E250-R254 VanDerWaalsContact O-CG 3.27Å; E250-R254 WeakPolarHBondContact O-CG 3.31Å; E250-R254 PolarHBondContact O-N 2.89Å; E250-R254 IonicContact OE1-CZ 3.21Å; E250-R254 VanDerWaalsContact OE1-CZ 3.3Å; E250-R254 IonicContact OE1-NE 2.69Å; E250-R254 PolarHBondContact OE1-NE 3.17Å; E250-R254 IonicContact OE1-NH2 2.86Å; E250-R254 PolarHBondContact OE1-NH2 3.4Å
251	S	98.4	Very high	97.2	Very high	67 Å²	67	37.2 Å²	37.2	47%	0.469	21%	0.206	S	C	.	.	H	α-helix	trans	-63.1	-41	177	-59	0	0	0	0	112.4	P247 F249 R255	P247-S251 VanDerWaalsContact O-CB 3.23Å; P247-S251 WeakPolarHBondContact O-CB 3.44Å; P247-S251 PolarHBondContact O-N 2.88Å; P247-S251 PolarHBondContact O-OG 3.47Å; F249-S251 PolarHBondContact O-N 3.27Å; S251-R255 VanDerWaalsContact O-CB 3.31Å; S251-R255 WeakPolarHBondContact O-CB 3.27Å; S251-R255 PolarHBondContact O-N 3.24Å
252	A	98.8	Very high	97.2	Very high	18 Å²	18	40.7 Å²	40.7	15%	0.149	23%	0.23	C	C	.	.	H	α-helix	trans	-63.8	-49	176.5	0	0	0	0	0	111.5	L197 F200 T248 F249 E250 R254 R255 A256	L197-A252 HydrophobicContact CD2-CB 4.28Å; F200-A252 HydrophobicContact CD1-CB 4.15Å; F200-A252 HydrophobicContact CG-CB 4.32Å; T248-A252 WeakPolarHBondContact O-CB 3.41Å; T248-A252 PolarHBondContact O-N 2.94Å; F249-A252 WeakPolarHBondContact O-CB 3.49Å; F249-A252 PolarHBondContact O-N 3.4Å; F249-A252 VanDerWaalsContact O-N 3.08Å; E250-A252 PolarHBondContact O-N 3.07Å; A252-R254 PolarHBondContact O-N 2.94Å; A252-R255 PolarHBondContact O-N 2.99Å; A252-A256 PolarHBondContact O-N 3.45Å
253	A	98.8	Very high	97.4	Very high	2 Å²	2	38 Å²	38	2%	0.017	22%	0.222	C	C	.	.	H	α-helix	trans	-61.7	-44	178.6	0	0	0	0	0	112.2	F233 I234 F237 F249 E250 A256 L257	F233-A253 HydrophobicContact CB-CB 3.91Å; I234-A253 HydrophobicContact CB-CB 4.42Å; I234-A253 HydrophobicContact CD1-CB 3.99Å; F237-A253 HydrophobicContact CB-CB 3.95Å; F237-A253 HydrophobicContact CD2-CB 4.11Å; F237-A253 HydrophobicContact CG-CB 4.39Å; F249-A253 PolarHBondContact O-N 3.06Å; E250-A253 PolarHBondContact O-N 3.2Å; A253-A256 PolarHBondContact O-N 3.47Å; A253-L257 WeakPolarHBondContact O-CG 3.41Å; A253-L257 PolarHBondContact O-N 2.71Å
254	R	98.5	Very high	97.6	Very high	62 Å²	62	41.6 Å²	41.6	23%	0.234	24%	0.235	C	C	.	.	H	α-helix	trans	-62.7	-44.6	176.8	-73.8	-179.1	178.2	-72.9	-2.5	112.1	I234 E250 A252 A256 L257 T258 D308	I234-R254 HydrophobicContact CD1-CG 3.73Å; E250-R254 HydrophobicContact CG-CG 4.33Å; E250-R254 WeakPolarHBondContact O-CB 3.42Å; E250-R254 VanDerWaalsContact O-CG 3.27Å; E250-R254 WeakPolarHBondContact O-CG 3.31Å; E250-R254 PolarHBondContact O-N 2.89Å; E250-R254 IonicContact OE1-CZ 3.21Å; E250-R254 VanDerWaalsContact OE1-CZ 3.3Å; E250-R254 IonicContact OE1-NE 2.69Å; E250-R254 PolarHBondContact OE1-NE 3.17Å; E250-R254 IonicContact OE1-NH2 2.86Å; E250-R254 PolarHBondContact OE1-NH2 3.4Å; A252-R254 PolarHBondContact O-N 2.94Å; R254-A256 VanDerWaalsContact C-N 3.3Å; R254-A256 PolarHBondContact O-N 3.48Å; R254-L257 PolarHBondContact O-N 3.33Å; R254-T258 PolarHBondContact O-N 3.06Å; R254-T258 PolarHBondContact O-OG1 3.24Å; R254-T258 VanDerWaalsContact O-OG1 3.08Å; R254-D308 IonicContact CZ-OD2 3.54Å; R254-D308 IonicContact NH1-OD2 2.69Å; R254-D308 PolarHBondContact NH1-OD2 3.06Å; R254-D308 IonicContact NH2-OD2 3Å; R254-D308 PolarHBondContact NH2-OD2 3.46Å
255	R	98.6	Very high	97.8	Very high	126 Å²	126	40.3 Å²	40.3	48%	0.475	23%	0.228	S	C	.	.	H	α-helix	trans	-59.5	-42.8	177	-178	179.7	167.8	-162.3	-6.8	111.3	T202 P203 T204 S251 A252 A259	T202-R255 PolarHBondContact O-NH2 3.33Å; P203-R255 PolarHBondContact O-NH2 2.01Å; T204-R255 PolarHBondContact O-NE 2.93Å; S251-R255 VanDerWaalsContact O-CB 3.31Å; S251-R255 WeakPolarHBondContact O-CB 3.27Å; S251-R255 PolarHBondContact O-N 3.24Å; A252-R255 PolarHBondContact O-N 2.99Å; R255-A259 VanDerWaalsContact O-CB 3.31Å; R255-A259 WeakPolarHBondContact O-CB 3.24Å; R255-A259 PolarHBondContact O-N 2.77Å
256	A	98.7	Very high	98	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-61.3	-47	175.6	0	0	0	0	0	111.9	F200 G205 V230 A252 A253 R254 A259 L260	F200-A256 HydrophobicContact CD1-CB 4.44Å; F200-A256 HydrophobicContact CE1-CB 4.2Å; G205-A256 WeakPolarHBondContact O-CB 3.2Å; V230-A256 HydrophobicContact CG1-CB 4.21Å; A252-A256 PolarHBondContact O-N 3.45Å; A253-A256 PolarHBondContact O-N 3.47Å; R254-A256 VanDerWaalsContact C-N 3.3Å; R254-A256 PolarHBondContact O-N 3.48Å; A256-A259 PolarHBondContact O-N 3.44Å; A256-L260 WeakPolarHBondContact O-CB 3.22Å; A256-L260 PolarHBondContact O-N 3.1Å
257	L	98.6	Very high	98.2	Very high	4 Å²	4	46.3 Å²	46.3	2%	0.021	25%	0.25	C	C	.	.	H	α-helix	trans	-60.3	-47.6	177.1	-74.3	173.1	0	0	0	112.6	I234 A253 R254 A259 L260 W261 Y295 L299 L311	I234-L257 HydrophobicContact CB-CD1 3.82Å; I234-L257 HydrophobicContact CD1-CD1 4.41Å; I234-L257 HydrophobicContact CG1-CD1 4.07Å; I234-L257 HydrophobicContact CG2-CD1 4.17Å; A253-L257 WeakPolarHBondContact O-CG 3.41Å; A253-L257 PolarHBondContact O-N 2.71Å; R254-L257 PolarHBondContact O-N 3.33Å; L257-A259 VanDerWaalsContact C-N 3.32Å; L257-A259 PolarHBondContact O-N 3.4Å; L257-L260 PolarHBondContact O-N 2.86Å; L257-W261 VanDerWaalsContact O-CB 3.24Å; L257-W261 WeakPolarHBondContact O-CB 3.3Å; L257-W261 PolarHBondContact O-N 2.8Å; L257-Y295 HydrophobicContact CD2-CD2 3.94Å; L257-Y295 HydrophobicContact CD2-CE2 3.55Å; L257-L299 HydrophobicContact CD2-CD2 4.22Å; L257-L311 HydrophobicContact CD1-CD2 3.81Å
258	T	98.3	Very high	98.3	Very high	73 Å²	73	43.2 Å²	43.2	45%	0.448	23%	0.233	S	C	.	.	H	α-helix	trans	-62.6	-40.5	177.4	-55.7	0	0	0	0	111.4	R254 S262	R254-T258 PolarHBondContact O-N 3.06Å; R254-T258 PolarHBondContact O-OG1 3.24Å; R254-T258 VanDerWaalsContact O-OG1 3.08Å; T258-S262 PolarHBondContact O-N 3.25Å
259	A	98.4	Very high	98.3	Very high	12 Å²	12	40.3 Å²	40.3	10%	0.099	22%	0.215	C	C	.	.	H	α-helix	trans	-62.8	-49.3	176.5	0	0	0	0	0	111	M206 R255 A256 L257 W261 S262 T263	M206-A259 HydrophobicContact CG-CB 3.78Å; M206-A259 HydrophobicContact SD-CB 4.32Å; R255-A259 VanDerWaalsContact O-CB 3.31Å; R255-A259 WeakPolarHBondContact O-CB 3.24Å; R255-A259 PolarHBondContact O-N 2.77Å; A256-A259 PolarHBondContact O-N 3.44Å; L257-A259 VanDerWaalsContact C-N 3.32Å; L257-A259 PolarHBondContact O-N 3.4Å; A259-W261 PolarHBondContact O-N 3.4Å; A259-S262 PolarHBondContact O-N 3.14Å; A259-S262 PolarHBondContact O-OG 2.84Å; A259-T263 WeakPolarHBondContact O-CG2 3.16Å
260	L	98.4	Very high	98.3	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-60.9	-45.6	177.8	-177.3	62.5	0	0	0	111.9	M206 T227 V230 A256 L257 S262 T263 W281 Y295	M206-L260 HydrophobicContact SD-CB 4.33Å; M206-L260 HydrophobicContact SD-CD1 4.44Å; T227-L260 HydrophobicContact CG2-CD1 4.36Å; T227-L260 HydrophobicContact CG2-CD2 3.94Å; V230-L260 HydrophobicContact CB-CD2 4.09Å; V230-L260 HydrophobicContact CG1-CB 3.94Å; V230-L260 HydrophobicContact CG1-CD1 4.44Å; V230-L260 HydrophobicContact CG1-CD2 3.96Å; V230-L260 HydrophobicContact CG1-CG 4.34Å; A256-L260 WeakPolarHBondContact O-CB 3.22Å; A256-L260 PolarHBondContact O-N 3.1Å; L257-L260 PolarHBondContact O-N 2.86Å; L260-S262 PolarHBondContact O-N 3.19Å; L260-S262 VanDerWaalsContact O-N 3.14Å; L260-T263 WeakPolarHBondContact O-CB 3.37Å; L260-T263 PolarHBondContact O-N 3.41Å; L260-T263 PolarHBondContact O-OG1 3.47Å; L260-W281 HydrophobicContact CD1-CH2 3.93Å; L260-W281 HydrophobicContact CD1-CZ2 4.4Å; L260-Y295 HydrophobicContact CD2-CD1 4.14Å; L260-Y295 HydrophobicContact CD2-CD2 3.96Å; L260-Y295 HydrophobicContact CD2-CE1 3.89Å; L260-Y295 HydrophobicContact CD2-CE2 3.72Å; L260-Y295 HydrophobicContact CD2-CG 4.15Å; L260-Y295 HydrophobicContact CG-CE1 4.42Å
261	W	98.4	Very high	98.3	Very high	55 Å²	55	39.6 Å²	39.6	21%	0.208	21%	0.211	C	C	.	.	H	α-helix	trans	-54.5	-33	176.5	173.1	-107.2	0	0	0	113.6	L257 A259 T263 R264 M314 A317 Y318	L257-W261 VanDerWaalsContact O-CB 3.24Å; L257-W261 WeakPolarHBondContact O-CB 3.3Å; L257-W261 PolarHBondContact O-N 2.8Å; A259-W261 PolarHBondContact O-N 3.4Å; W261-T263 PolarHBondContact O-N 2.9Å; W261-R264 VanDerWaalsContact CD2-CZ 3.42Å; W261-R264 VanDerWaalsContact CH2-CZ 3.41Å; W261-R264 WeakPolarHBondContact O-CG 3.37Å; W261-R264 PolarHBondContact O-NE 3.48Å; W261-M314 HydrophobicContact CB-CE 4.21Å; W261-M314 HydrophobicContact CB-SD 4.27Å; W261-M314 HydrophobicContact CD2-CB 4.41Å; W261-M314 HydrophobicContact CD2-CE 4.27Å; W261-M314 HydrophobicContact CD2-CG 3.77Å; W261-M314 HydrophobicContact CD2-SD 4.08Å; W261-M314 HydrophobicContact CE3-CB 3.81Å; W261-M314 HydrophobicContact CE3-CG 3.68Å; W261-M314 HydrophobicContact CE3-SD 4.17Å; W261-M314 HydrophobicContact CG-CE 3.96Å; W261-M314 HydrophobicContact CG-CG 4.42Å; W261-M314 HydrophobicContact CG-SD 4.18Å; W261-M314 HydrophobicContact CH2-CB 3.86Å; W261-M314 HydrophobicContact CH2-CG 3.87Å; W261-M314 HydrophobicContact CZ2-CB 4.47Å; W261-M314 HydrophobicContact CZ2-CG 3.97Å; W261-M314 HydrophobicContact CZ3-CB 3.53Å; W261-M314 HydrophobicContact CZ3-CG 3.76Å; W261-M314 VanDerWaalsContact CZ3-O 3.25Å; W261-M314 WeakPolarHBondContact CZ3-O 3.5Å; W261-A317 HydrophobicContact CH2-CB 3.65Å; W261-A317 HydrophobicContact CZ3-CB 4.31Å; W261-Y318 HydrophobicContact CE3-CD2 4.37Å; W261-Y318 AromaticContact CE3-CE2 3.51Å; W261-Y318 HydrophobicContact CE3-CE2 3.51Å; W261-Y318 AromaticContact CE3-CZ 3.64Å; W261-Y318 AromaticContact CZ3-CD2 3.88Å; W261-Y318 HydrophobicContact CZ3-CD2 3.88Å; W261-Y318 HydrophobicContact CZ3-CE1 4.44Å; W261-Y318 AromaticContact CZ3-CE2 3.47Å; W261-Y318 HydrophobicContact CZ3-CE2 3.47Å; W261-Y318 VanDerWaalsContact CZ3-CE2 3.47Å; W261-Y318 AromaticContact CZ3-CZ 3.8Å
262	S	98	Very high	98.2	Very high	80 Å²	80	37.3 Å²	37.3	56%	0.559	19%	0.194	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.6	-9.6	178.2	77.4	0	0	0	0	114.5	T258 A259 L260	T258-S262 PolarHBondContact O-N 3.25Å; A259-S262 PolarHBondContact O-N 3.14Å; A259-S262 PolarHBondContact O-OG 2.84Å; L260-S262 PolarHBondContact O-N 3.19Å; L260-S262 VanDerWaalsContact O-N 3.14Å
263	T	97.9	Very high	98.2	Very high	16 Å²	16	39.8 Å²	39.8	10%	0.098	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99	2.5	-173.2	68.7	0	0	0	0	114.2	A259 L260 W261 I274 R279 W281	A259-T263 WeakPolarHBondContact O-CG2 3.16Å; L260-T263 WeakPolarHBondContact O-CB 3.37Å; L260-T263 PolarHBondContact O-N 3.41Å; L260-T263 PolarHBondContact O-OG1 3.47Å; W261-T263 PolarHBondContact O-N 2.9Å; T263-I274 HydrophobicContact CG2-CD1 3.81Å; T263-R279 HydrophobicContact CG2-CB 4.01Å; T263-R279 HydrophobicContact CG2-CG 4.44Å; T263-W281 PolarHBondContact O-NE1 3.26Å; T263-W281 WeakPolarHBondContact OG1-CZ2 3.44Å
264	R	98.1	Very high	98.2	Very high	78 Å²	78	39.7 Å²	39.7	29%	0.294	20%	0.201	S	C	.	.			trans	-56.6	149.9	177.5	-65.6	175.6	-66	163.7	2.5	112.1	W261 L269 V270 Y318	W261-R264 VanDerWaalsContact CD2-CZ 3.42Å; W261-R264 VanDerWaalsContact CH2-CZ 3.41Å; W261-R264 WeakPolarHBondContact O-CG 3.37Å; W261-R264 PolarHBondContact O-NE 3.48Å; R264-L269 WeakPolarHBondContact CA-O 3.25Å; R264-V270 HydrophobicContact CG-CG1 3.82Å; R264-Y318 VanDerWaalsContact CD-CZ 3.49Å; R264-Y318 WeakPolarHBondContact CD-OH 3.48Å; R264-Y318 HydrophobicContact CG-CE1 3.63Å; R264-Y318 WeakPolarHBondContact CG-OH 3.2Å
265	S	98.2	Very high	98.2	Very high	10 Å²	10	38.1 Å²	38.1	7%	0.07	20%	0.198	C	C	.	.			trans	-67.6	168.1	169.5	62.4	0	0	0	0	112.3	I267 G268 L269 M337	S265-I267 PolarHBondContact O-N 3.4Å; S265-I267 VanDerWaalsContact O-N 3.12Å; S265-I267 WeakPolarHBondContact OG-CG1 3.33Å; S265-G268 PolarHBondContact O-N 3.09Å; S265-G268 PolarHBondContact OG-N 2.96Å; S265-L269 PolarHBondContact N-O 3.35Å; S265-L269 PolarHBondContact OG-N 2.87Å; S265-L269 PolarHBondContact OG-O 3.45Å; S265-M337 WeakPolarHBondContact CB-O 3.36Å; S265-M337 PolarHBondContact OG-O 3.26Å
266	D	97.6	Very high	98.2	Very high	166 Å²	166	32.1 Å²	32.1	89%	0.888	18%	0.175	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.7	-21.3	174.3	-60	-32.1	0	0	0	113.5
267	I	97.9	Very high	98.1	Very high	37 Å²	37	35.1 Å²	35.1	19%	0.19	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.8	8.8	175.6	66.4	169.5	0	0	0	113.1	S265 L269 A321 Y325 M337	S265-I267 PolarHBondContact O-N 3.4Å; S265-I267 VanDerWaalsContact O-N 3.12Å; S265-I267 WeakPolarHBondContact OG-CG1 3.33Å; I267-L269 HydrophobicContact CD1-CD1 3.92Å; I267-L269 HydrophobicContact CD1-CG 4.43Å; I267-L269 HydrophobicContact CG1-CD1 4.35Å; I267-L269 HydrophobicContact CG1-CG 4.33Å; I267-L269 PolarHBondContact O-N 3.44Å; I267-A321 WeakPolarHBondContact O-CB 3.24Å; I267-Y325 HydrophobicContact CB-CD2 4.37Å; I267-Y325 HydrophobicContact CB-CE2 3.73Å; I267-Y325 HydrophobicContact CD1-CD1 4.28Å; I267-Y325 HydrophobicContact CD1-CD2 4.13Å; I267-Y325 HydrophobicContact CD1-CE1 4.32Å; I267-Y325 HydrophobicContact CD1-CE2 4.19Å; I267-Y325 HydrophobicContact CD1-CG 4.19Å; I267-Y325 HydrophobicContact CG1-CE2 4.37Å; I267-Y325 HydrophobicContact CG2-CE2 4.4Å; I267-M337 VanDerWaalsContact CD1-O 3.22Å; I267-M337 WeakPolarHBondContact CD1-O 3.43Å; I267-M337 WeakPolarHBondContact CG1-O 3.39Å
268	G	97.8	Very high	98	Very high	17 Å²	17	38.5 Å²	38.5	18%	0.175	21%	0.214	C	C	.	.	S	Bend	trans	86.4	-1.9	171.7	0	0	0	0	0	115.9	S265 Y318	S265-G268 PolarHBondContact O-N 3.09Å; S265-G268 PolarHBondContact OG-N 2.96Å; G268-Y318 VanDerWaalsContact O-CD1 3.28Å; G268-Y318 WeakPolarHBondContact O-CD1 3.4Å; G268-Y318 WeakPolarHBondContact O-CE1 3.25Å
269	L	98.4	Very high	98	Very high	5 Å²	5	41.3 Å²	41.3	3%	0.026	22%	0.217	C	C	.	.			trans	-86.1	156.6	179.2	-61.7	177.5	0	0	0	112.8	R264 S265 I267 A286 A321 I322 T326 V335 M337	R264-L269 WeakPolarHBondContact CA-O 3.25Å; S265-L269 PolarHBondContact N-O 3.35Å; S265-L269 PolarHBondContact OG-N 2.87Å; S265-L269 PolarHBondContact OG-O 3.45Å; I267-L269 HydrophobicContact CD1-CD1 3.92Å; I267-L269 HydrophobicContact CD1-CG 4.43Å; I267-L269 HydrophobicContact CG1-CD1 4.35Å; I267-L269 HydrophobicContact CG1-CG 4.33Å; I267-L269 PolarHBondContact O-N 3.44Å; L269-A286 HydrophobicContact CB-CB 4.04Å; L269-A286 HydrophobicContact CD1-CB 4.05Å; L269-A321 HydrophobicContact CD2-CB 3.73Å; L269-A321 HydrophobicContact CG-CB 4.26Å; L269-I322 HydrophobicContact CD2-CG1 4.36Å; L269-T326 HydrophobicContact CD2-CG2 4.49Å; L269-V335 HydrophobicContact CD1-CG2 3.66Å; L269-M337 HydrophobicContact CB-CB 4.2Å; L269-M337 WeakPolarHBondContact O-CE 3.13Å
270	V	98.2	Very high	97.9	Very high	3 Å²	3	47.9 Å²	47.9	2%	0.018	24%	0.243	C	C	.	.			trans	-110.2	150.1	170.3	-72.9	0	0	0	0	110.4	T227 R264 W281 A286 V292 Y295 F296 Y318	T227-V270 HydrophobicContact CG2-CG2 4.06Å; R264-V270 HydrophobicContact CG-CG1 3.82Å; V270-W281 HydrophobicContact CB-CH2 3.64Å; V270-W281 HydrophobicContact CB-CZ2 3.71Å; V270-W281 HydrophobicContact CG1-CH2 4.04Å; V270-W281 HydrophobicContact CG1-CZ2 3.78Å; V270-A286 WeakPolarHBondContact O-CB 3.39Å; V270-V292 HydrophobicContact CG2-CG1 4.09Å; V270-Y295 HydrophobicContact CG2-CE1 4.49Å; V270-F296 HydrophobicContact CG2-CZ 4.25Å; V270-Y318 HydrophobicContact CG1-CE1 3.85Å; V270-Y318 WeakPolarHBondContact CG1-OH 3.21Å; V270-Y318 HydrophobicContact CG2-CE1 4.4Å
271	G	97.7	Very high	97.9	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	25%	0.248	C	C	.	.			trans	-78.8	-173.5	172.8	0	0	0	0	0	111.9	T227 W281 A283 D285	T227-G271 PolarHBondContact OG1-O 2.87Å; G271-W281 VanDerWaalsContact CA-CE3 3.41Å; G271-W281 WeakPolarHBondContact O-CZ3 3.27Å; G271-A283 CarbonylContact C-O 3.57Å; G271-A283 WeakPolarHBondContact CA-O 3.4Å; G271-D285 CarbonylContact C-O 3.54Å
272	N	97.8	Very high	97.9	Very high	20 Å²	20	51 Å²	51	11%	0.107	27%	0.265	C	S	.	.	S	Bend	trans	-90.9	-40.3	-178.4	-171.1	-100.6	0	0	0	113.1	C226 T227 A283 D285 A290 W334	C226-N272 CarbonylContact C-O 3.5Å; C226-N272 WeakPolarHBondContact CA-O 3.31Å; T227-N272 PolarHBondContact N-O 3.27Å; T227-N272 PolarHBondContact OG1-O 3.1Å; N272-A283 HydrophobicContact CB-CB 4.09Å; N272-A283 PolarHBondContact N-O 3.04Å; N272-D285 PolarHBondContact N-O 3.08Å; N272-D285 VanDerWaalsContact N-O 3.13Å; N272-A290 PolarHBondContact ND2-O 3.05Å; N272-W334 HydrophobicContact CB-CZ3 4.22Å; N272-W334 VanDerWaalsContact ND2-CH2 3.33Å; N272-W334 WeakPolarHBondContact ND2-CH2 3.5Å
273	H	98.4	Very high	97.9	Very high	69 Å²	69	48.5 Å²	48.5	32%	0.319	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	137.9	179	-75.6	69.4	0	0	0	111.8	V224 T225 W281 V282 A283	V224-H273 HydrophobicContact CG1-CB 4.06Å; T225-H273 CarbonylContact O-C 3.6Å; T225-H273 VanDerWaalsContact O-CA 3.27Å; T225-H273 WeakPolarHBondContact O-CA 3.43Å; H273-W281 CarbonylContact O-C 3.55Å; H273-V282 PolarHBondContact O-N 3.4Å; H273-A283 HydrophobicContact CB-CB 3.9Å; H273-A283 PolarHBondContact N-O 2.89Å; H273-A283 PolarHBondContact O-N 2.99Å; H273-A283 VanDerWaalsContact O-N 3.15Å
274	I	98.5	Very high	97.9	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	140.3	-174.9	-170.6	168.5	0	0	0	111.2	M206 V224 T225 V230 T263 I276 W281	M206-I274 HydrophobicContact CE-CD1 4.28Å; M206-I274 HydrophobicContact SD-CD1 4.35Å; V224-I274 WeakPolarHBondContact CA-O 3.21Å; T225-I274 HydrophobicContact CG2-CG2 4.42Å; T225-I274 PolarHBondContact N-O 2.8Å; T225-I274 PolarHBondContact O-N 3.45Å; V230-I274 HydrophobicContact CG2-CG2 4.43Å; T263-I274 HydrophobicContact CG2-CD1 3.81Å; I274-I276 HydrophobicContact CG2-CG2 4.48Å; I274-I276 PolarHBondContact O-N 3.35Å; I274-W281 HydrophobicContact CB-CD2 4.31Å; I274-W281 HydrophobicContact CB-CE3 3.76Å; I274-W281 HydrophobicContact CB-CH2 4.3Å; I274-W281 HydrophobicContact CB-CZ3 3.73Å; I274-W281 HydrophobicContact CD1-CD2 4.36Å; I274-W281 HydrophobicContact CD1-CH2 4.26Å; I274-W281 HydrophobicContact CD1-CZ2 4.11Å; I274-W281 HydrophobicContact CD1-CZ3 4.46Å; I274-W281 HydrophobicContact CG1-CD2 4.42Å; I274-W281 HydrophobicContact CG1-CE3 4.35Å; I274-W281 HydrophobicContact CG2-CZ3 4.33Å
275	D	98.5	Very high	97.8	Very high	30 Å²	30	50.3 Å²	50.3	16%	0.16	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	111	164.4	179.6	-58.1	0	0	0	109.1	P223 V224 V277 T278 R279 K280 V282	P223-D275 WeakPolarHBondContact O-CA 3.43Å; V224-D275 HydrophobicContact CG2-CB 4.34Å; D275-V277 PolarHBondContact O-N 3.14Å; D275-V277 PolarHBondContact OD1-N 3.03Å; D275-T278 WeakPolarHBondContact CB-OG1 3.35Å; D275-T278 PolarHBondContact O-N 2.97Å; D275-T278 PolarHBondContact OD1-N 3.2Å; D275-T278 PolarHBondContact OD1-OG1 2.72Å; D275-R279 VanDerWaalsContact O-CA 3.27Å; D275-R279 WeakPolarHBondContact O-CA 3.24Å; D275-R279 PolarHBondContact O-N 2.93Å; D275-K280 PolarHBondContact N-O 3.24Å; D275-V282 HydrophobicContact CB-CG2 4.24Å
276	I	98	Very high	97.8	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-17.2	-171.5	69.1	-169.1	0	0	0	113.7	T202 T204 M206 P207 Y208 P223 T225 V230 I274	T202-I276 HydrophobicContact CG2-CD1 3.95Å; T204-I276 WeakPolarHBondContact CB-O 3.19Å; T204-I276 WeakPolarHBondContact CG2-O 3.39Å; T204-I276 PolarHBondContact OG1-O 3.08Å; M206-I276 HydrophobicContact CB-CB 3.89Å; M206-I276 HydrophobicContact CB-CG2 3.83Å; M206-I276 HydrophobicContact CE-CB 4.34Å; M206-I276 WeakPolarHBondContact CE-O 3.14Å; P207-I276 WeakPolarHBondContact O-CD1 3.48Å; Y208-I276 HydrophobicContact CD1-CD1 3.78Å; Y208-I276 HydrophobicContact CD2-CD1 4.14Å; Y208-I276 HydrophobicContact CE1-CD1 4.04Å; Y208-I276 HydrophobicContact CE2-CD1 4.37Å; Y208-I276 HydrophobicContact CG-CD1 3.85Å; P223-I276 HydrophobicContact CB-CG1 4.03Å; P223-I276 VanDerWaalsContact O-CG1 3.26Å; P223-I276 WeakPolarHBondContact O-CG1 3.31Å; P223-I276 WeakPolarHBondContact O-CG2 3.48Å; P223-I276 PolarHBondContact O-N 3.02Å; T225-I276 HydrophobicContact CG2-CG2 3.46Å; T225-I276 VanDerWaalsContact CG2-CG2 3.46Å; V230-I276 HydrophobicContact CG2-CG2 4.43Å; I274-I276 HydrophobicContact CG2-CG2 4.48Å; I274-I276 PolarHBondContact O-N 3.35Å
277	V	96.8	Very high	97.7	Very high	62 Å²	62	42.2 Å²	42.2	38%	0.376	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.7	-47.7	-179.8	177.9	0	0	0	0	109.8	P223 D275	P223-V277 HydrophobicContact CB-CG2 3.86Å; D275-V277 PolarHBondContact O-N 3.14Å; D275-V277 PolarHBondContact OD1-N 3.03Å
278	T	97.4	Very high	97.7	Very high	75 Å²	75	40.5 Å²	40.5	46%	0.46	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.3	-13.9	-176.1	66.6	0	0	0	0	113.7	D275 K280	D275-T278 WeakPolarHBondContact CB-OG1 3.35Å; D275-T278 PolarHBondContact O-N 2.97Å; D275-T278 PolarHBondContact OD1-N 3.2Å; D275-T278 PolarHBondContact OD1-OG1 2.72Å; T278-K280 PolarHBondContact O-N 3.4Å; T278-K280 PolarHBondContact OG1-N 3.27Å
279	R	97.2	Very high	97.5	Very high	132 Å²	132	39.7 Å²	39.7	50%	0.498	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.6	24.2	-172.7	-52.5	-176.1	-176.2	111	-0.8	113.9	T204 M206 T263 D275	T204-R279 HydrophobicContact CG2-CG 3.81Å; M206-R279 HydrophobicContact CE-CG 4.1Å; T263-R279 HydrophobicContact CG2-CB 4.01Å; T263-R279 HydrophobicContact CG2-CG 4.44Å; D275-R279 VanDerWaalsContact O-CA 3.27Å; D275-R279 WeakPolarHBondContact O-CA 3.24Å; D275-R279 PolarHBondContact O-N 2.93Å
280	K	97.8	Very high	97.4	Very high	151 Å²	151	41 Å²	41	66%	0.657	21%	0.214	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-97.1	132	179.9	-68.4	-176.5	179.5	178.6	0	110.8	D275 T278 V282	D275-K280 PolarHBondContact N-O 3.24Å; T278-K280 PolarHBondContact O-N 3.4Å; T278-K280 PolarHBondContact OG1-N 3.27Å; K280-V282 PolarHBondContact O-N 2.87Å
281	W	98.3	Very high	97.2	Very high	26 Å²	26	41.6 Å²	41.6	10%	0.098	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	120.7	172.5	-64.9	103.8	0	0	0	111.1	T227 L260 T263 V270 G271 H273 I274 Q284 M337	T227-W281 WeakPolarHBondContact OG1-CH2 3.36Å; T227-W281 VanDerWaalsContact OG1-CZ3 3.24Å; T227-W281 WeakPolarHBondContact OG1-CZ3 3.31Å; L260-W281 HydrophobicContact CD1-CH2 3.93Å; L260-W281 HydrophobicContact CD1-CZ2 4.4Å; T263-W281 PolarHBondContact O-NE1 3.26Å; T263-W281 WeakPolarHBondContact OG1-CZ2 3.44Å; V270-W281 HydrophobicContact CB-CH2 3.64Å; V270-W281 HydrophobicContact CB-CZ2 3.71Å; V270-W281 HydrophobicContact CG1-CH2 4.04Å; V270-W281 HydrophobicContact CG1-CZ2 3.78Å; G271-W281 VanDerWaalsContact CA-CE3 3.41Å; G271-W281 WeakPolarHBondContact O-CZ3 3.27Å; H273-W281 CarbonylContact O-C 3.55Å; I274-W281 HydrophobicContact CB-CD2 4.31Å; I274-W281 HydrophobicContact CB-CE3 3.76Å; I274-W281 HydrophobicContact CB-CH2 4.3Å; I274-W281 HydrophobicContact CB-CZ3 3.73Å; I274-W281 HydrophobicContact CD1-CD2 4.36Å; I274-W281 HydrophobicContact CD1-CH2 4.26Å; I274-W281 HydrophobicContact CD1-CZ2 4.11Å; I274-W281 HydrophobicContact CD1-CZ3 4.46Å; I274-W281 HydrophobicContact CG1-CD2 4.42Å; I274-W281 HydrophobicContact CG1-CE3 4.35Å; I274-W281 HydrophobicContact CG2-CZ3 4.33Å; W281-Q284 HydrophobicContact CB-CG 3.87Å; W281-M337 HydrophobicContact CB-SD 4.01Å; W281-M337 VanDerWaalsContact CD1-CE 3.49Å; W281-M337 HydrophobicContact CD2-CE 4.19Å; W281-M337 HydrophobicContact CD2-SD 4.08Å; W281-M337 HydrophobicContact CG-CE 3.99Å; W281-M337 HydrophobicContact CG-SD 3.63Å
282	V	97.8	Very high	97.2	Very high	93 Å²	93	41.6 Å²	41.6	56%	0.564	22%	0.22	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-89.5	-39.1	176.8	-179.3	0	0	0	0	110.4	V224 H273 D275 K280	V224-V282 HydrophobicContact CG1-CB 4.19Å; V224-V282 HydrophobicContact CG1-CG1 4.47Å; V224-V282 HydrophobicContact CG1-CG2 4.06Å; V224-V282 HydrophobicContact CG2-CG2 3.95Å; H273-V282 PolarHBondContact O-N 3.4Å; D275-V282 HydrophobicContact CB-CG2 4.24Å; K280-V282 PolarHBondContact O-N 2.87Å
283	A	97.4	Very high	97.2	Very high	29 Å²	29	41.3 Å²	41.3	24%	0.24	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	115.1	169	0	0	0	0	0	109	G271 N272 H273	G271-A283 CarbonylContact C-O 3.57Å; G271-A283 WeakPolarHBondContact CA-O 3.4Å; N272-A283 HydrophobicContact CB-CB 4.09Å; N272-A283 PolarHBondContact N-O 3.04Å; H273-A283 HydrophobicContact CB-CB 3.9Å; H273-A283 PolarHBondContact N-O 2.89Å; H273-A283 PolarHBondContact O-N 2.99Å; H273-A283 VanDerWaalsContact O-N 3.15Å
284	Q	97.4	Very high	97.2	Very high	78 Å²	78	38.1 Å²	38.1	36%	0.364	20%	0.204	S	C	.	.			trans	-100.9	4.1	-169.9	-65.6	-175.5	-2.2	0	0	113.8	W281 Q336 M337	W281-Q284 HydrophobicContact CB-CG 3.87Å; Q284-Q336 VanDerWaalsContact OE1-NE2 3.15Å; Q284-M337 HydrophobicContact CB-CG 4.13Å; Q284-M337 HydrophobicContact CB-SD 4.14Å; Q284-M337 HydrophobicContact CG-SD 4.2Å; Q284-M337 VanDerWaalsContact O-CB 3.31Å; Q284-M337 WeakPolarHBondContact O-CB 2.78Å; Q284-M337 WeakPolarHBondContact O-CG 3.35Å; Q284-M337 PolarHBondContact O-N 3.46Å
285	D	96.9	Very high	97.2	Very high	53 Å²	53	38.1 Å²	38.1	28%	0.283	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	134	169.2	-56.9	-77.4	0	0	0	109.1	G271 N272 W334 V335 T343	G271-D285 CarbonylContact C-O 3.54Å; N272-D285 PolarHBondContact N-O 3.08Å; N272-D285 VanDerWaalsContact N-O 3.13Å; D285-W334 HydrophobicContact CB-CE3 3.64Å; D285-W334 HydrophobicContact CB-CZ3 4.06Å; D285-V335 CarbonylContact C-O 3.55Å; D285-V335 WeakPolarHBondContact CA-O 3.42Å; D285-T343 WeakPolarHBondContact OD1-CB 3.18Å; D285-T343 VanDerWaalsContact OD1-CG2 3.27Å; D285-T343 WeakPolarHBondContact OD1-CG2 3.37Å; D285-T343 PolarHBondContact OD1-OG1 3.25Å
286	A	97.3	Very high	97.2	Very high	2 Å²	2	36.9 Å²	36.9	2%	0.017	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	139.2	-177.6	0	0	0	0	0	109.1	L269 V270 W334 V335 M337	L269-A286 HydrophobicContact CB-CB 4.04Å; L269-A286 HydrophobicContact CD1-CB 4.05Å; V270-A286 WeakPolarHBondContact O-CB 3.39Å; A286-W334 WeakPolarHBondContact O-CA 3.42Å; A286-V335 HydrophobicContact CB-CG2 4.3Å; A286-V335 PolarHBondContact N-O 3.11Å; A286-V335 PolarHBondContact O-N 3.39Å; A286-M337 HydrophobicContact CB-CB 3.92Å
287	G	96.5	Very high	97.2	Very high	5 Å²	5	37.2 Å²	37.2	5%	0.052	20%	0.199	C	C	.	.			trans	-172.1	-172.7	178.7	0	0	0	0	0	109.3
288	I	97.3	Very high	97.3	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	18%	0.181	C	C	.	.	S	Bend	trans	-102.4	-0.3	176.3	61.6	166.9	0	0	0	112.6	D293 F296 I322 Y332 E351 F353 W354	I288-D293 WeakPolarHBondContact O-CA 3.32Å; I288-F296 HydrophobicContact CG2-CD2 4.37Å; I288-F296 HydrophobicContact CG2-CE2 4.2Å; I288-I322 HydrophobicContact CG2-CD1 3.85Å; I288-I322 HydrophobicContact CG2-CG1 4.29Å; I288-I322 HydrophobicContact CG2-CG2 3.94Å; I288-Y332 VanDerWaalsContact CD1-CB 3.47Å; I288-Y332 HydrophobicContact CD1-CD1 3.99Å; I288-Y332 HydrophobicContact CD1-CD2 3.68Å; I288-Y332 HydrophobicContact CD1-CE2 4.44Å; I288-Y332 HydrophobicContact CD1-CG 3.42Å; I288-Y332 VanDerWaalsContact CD1-CG 3.42Å; I288-Y332 HydrophobicContact CG1-CG 4.14Å; I288-E351 HydrophobicContact CD1-CB 4.22Å; I288-E351 HydrophobicContact CG1-CB 4.18Å; I288-E351 HydrophobicContact CG1-CG 3.96Å; I288-F353 VanDerWaalsContact O-CE1 3.31Å; I288-F353 WeakPolarHBondContact O-CE1 3.33Å; I288-W354 HydrophobicContact CB-CD2 4.47Å; I288-W354 HydrophobicContact CB-CE3 4.06Å; I288-W354 HydrophobicContact CB-CZ3 4.28Å; I288-W354 HydrophobicContact CD1-CB 3.7Å; I288-W354 HydrophobicContact CD1-CD2 3.66Å; I288-W354 HydrophobicContact CD1-CE3 4.05Å; I288-W354 HydrophobicContact CD1-CG 3.49Å; I288-W354 VanDerWaalsContact CD1-CG 3.49Å; I288-W354 HydrophobicContact CG2-CD2 4.32Å; I288-W354 HydrophobicContact CG2-CE3 4.01Å; I288-W354 HydrophobicContact CG2-CH2 4.01Å; I288-W354 HydrophobicContact CG2-CZ2 4.3Å; I288-W354 HydrophobicContact CG2-CZ3 3.85Å
289	G	94.9	Very high	97.4	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	16%	0.159	C	C	.	.	S	Bend	trans	-88.1	-152.7	-175.4	0	0	0	0	0	114.4	G291 V292 D293 E351	G289-G291 PolarHBondContact O-N 3.46Å; G289-V292 PolarHBondContact O-N 3.07Å; G289-D293 PolarHBondContact O-N 2.82Å; G289-E351 VanDerWaalsContact CA-CG 3.41Å
290	A	94.6	Very high	97.4	Very high	33 Å²	33	24.4 Å²	24.4	27%	0.273	14%	0.136	S	C	.	.	T	Hydrogen-bonded Turn	trans	-48.2	124.9	-168.5	0	0	0	0	0	113.5	N272 V292 D293 L350	N272-A290 PolarHBondContact ND2-O 3.05Å; A290-V292 VanDerWaalsContact C-N 3.33Å; A290-D293 WeakPolarHBondContact CA-OD2 3.24Å; A290-L350 HydrophobicContact CB-CD1 4.11Å; A290-L350 HydrophobicContact CB-CD2 4.36Å
291	G	95.8	Very high	97.4	Very high	15 Å²	15	17.4 Å²	17.4	16%	0.155	11%	0.105	C	C	.	.	T	Hydrogen-bonded Turn	trans	84.6	4.9	176.6	0	0	0	0	0	114.2	T227 A228 G289 D293	T227-G291 WeakPolarHBondContact CB-O 3.37Å; T227-G291 PolarHBondContact N-O 2.77Å; T227-G291 VanDerWaalsContact N-O 3.09Å; A228-G291 PolarHBondContact N-O 3.43Å; G289-G291 PolarHBondContact O-N 3.46Å; G291-D293 PolarHBondContact N-OD2 2.76Å
292	V	97.6	Very high	97.3	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	10%	0.1	C	C	.	.	T	Hydrogen-bonded Turn	trans	-132.2	-45.7	172	-169.6	0	0	0	0	110.8	T227 V270 G289 A290 S294 Y295 F296	T227-V292 HydrophobicContact CG2-CG1 4.07Å; V270-V292 HydrophobicContact CG2-CG1 4.09Å; G289-V292 PolarHBondContact O-N 3.07Å; A290-V292 VanDerWaalsContact C-N 3.33Å; V292-S294 PolarHBondContact O-N 3.46Å; V292-Y295 WeakPolarHBondContact O-CB 3.32Å; V292-Y295 PolarHBondContact O-N 2.96Å; V292-F296 HydrophobicContact CB-CE2 4.5Å; V292-F296 HydrophobicContact CG1-CD2 4.14Å; V292-F296 HydrophobicContact CG1-CE2 3.41Å; V292-F296 VanDerWaalsContact CG1-CE2 3.41Å; V292-F296 HydrophobicContact CG1-CZ 3.74Å
293	D	97.4	Very high	97.2	Very high	15 Å²	15	11.8 Å²	11.8	8%	0.08	7%	0.074	C	C	.	.	H	α-helix	trans	-8.1	-81.1	168.5	43.6	25.2	0	0	0	116.4	I288 G289 A290 G291 Y295 F296 E297 L350 F353	I288-D293 WeakPolarHBondContact O-CA 3.32Å; G289-D293 PolarHBondContact O-N 2.82Å; A290-D293 WeakPolarHBondContact CA-OD2 3.24Å; G291-D293 PolarHBondContact N-OD2 2.76Å; D293-Y295 PolarHBondContact O-N 3.39Å; D293-Y295 VanDerWaalsContact O-N 3.1Å; D293-F296 PolarHBondContact O-N 3.31Å; D293-E297 PolarHBondContact O-N 2.91Å; D293-L350 WeakPolarHBondContact OD2-CD2 3.46Å; D293-F353 HydrophobicContact CB-CD1 4.19Å; D293-F353 HydrophobicContact CB-CE1 3.53Å; D293-F353 HydrophobicContact CB-CZ 4.04Å
294	S	98.2	Very high	96.8	Very high	2 Å²	2	11.4 Å²	11.4	1%	0.014	7%	0.068	C	C	.	.	H	α-helix	trans	-69.8	-14.4	-167.7	65.1	0	0	0	0	113.3	A228 T232 V292 E297 Y298	A228-S294 WeakPolarHBondContact CB-OG 3.41Å; T232-S294 WeakPolarHBondContact CG2-OG 3.45Å; T232-S294 PolarHBondContact OG1-OG 2.92Å; V292-S294 PolarHBondContact O-N 3.46Å; S294-E297 PolarHBondContact O-N 3.13Å; S294-Y298 VanDerWaalsContact O-CB 3.31Å; S294-Y298 WeakPolarHBondContact O-CB 3.31Å; S294-Y298 VanDerWaalsContact O-CD2 3.3Å; S294-Y298 WeakPolarHBondContact O-CD2 3.43Å; S294-Y298 PolarHBondContact O-N 3.02Å
295	Y	98.5	Very high	96.5	Very high	0 Å²	0	8.1 Å²	8.1	0%	0	5%	0.052	C	C	.	.	H	α-helix	trans	-62.2	-46.5	168.5	171.6	-135.7	0	0	0	110.7	T227 L257 L260 V270 V292 D293 Y298 L299 Y318	T227-Y295 HydrophobicContact CG2-CD1 3.56Å; T227-Y295 HydrophobicContact CG2-CE1 4.2Å; T227-Y295 HydrophobicContact CG2-CG 4.08Å; L257-Y295 HydrophobicContact CD2-CD2 3.94Å; L257-Y295 HydrophobicContact CD2-CE2 3.55Å; L260-Y295 HydrophobicContact CD2-CD1 4.14Å; L260-Y295 HydrophobicContact CD2-CD2 3.96Å; L260-Y295 HydrophobicContact CD2-CE1 3.89Å; L260-Y295 HydrophobicContact CD2-CE2 3.72Å; L260-Y295 HydrophobicContact CD2-CG 4.15Å; L260-Y295 HydrophobicContact CG-CE1 4.42Å; V270-Y295 HydrophobicContact CG2-CE1 4.49Å; V292-Y295 WeakPolarHBondContact O-CB 3.32Å; V292-Y295 PolarHBondContact O-N 2.96Å; D293-Y295 PolarHBondContact O-N 3.39Å; D293-Y295 VanDerWaalsContact O-N 3.1Å; Y295-Y298 PolarHBondContact O-N 3.46Å; Y295-L299 HydrophobicContact CD2-CD1 4.41Å; Y295-L299 HydrophobicContact CD2-CG 4.29Å; Y295-L299 HydrophobicContact CE1-CD1 4.49Å; Y295-L299 HydrophobicContact CE2-CD1 3.92Å; Y295-L299 HydrophobicContact CE2-CD2 4.05Å; Y295-L299 HydrophobicContact CE2-CG 4.01Å; Y295-L299 WeakPolarHBondContact O-CG 3.13Å; Y295-L299 PolarHBondContact O-N 3.24Å; Y295-Y318 HydrophobicContact CE1-CD2 4.43Å; Y295-Y318 AromaticContact CE1-CE2 3.55Å; Y295-Y318 HydrophobicContact CE1-CE2 3.55Å; Y295-Y318 AromaticContact CE1-CZ 3.63Å; Y295-Y318 WeakPolarHBondContact CE1-OH 3.26Å; Y295-Y318 AromaticContact CZ-CE2 3.63Å; Y295-Y318 AromaticContact CZ-CZ 3.94Å; Y295-Y318 VanDerWaalsContact OH-CE2 3.24Å; Y295-Y318 WeakPolarHBondContact OH-CE2 3.42Å; Y295-Y318 PolarHBondContact OH-OH 3.07Å
296	F	98.6	Very high	96.3	Very high	4 Å²	4	6.5 Å²	6.5	2%	0.018	4%	0.044	C	C	.	.	H	α-helix	trans	-68.4	-39	178.3	-62.9	-48.8	0	0	0	111.6	V270 I288 V292 D293 Y298 L299 V300 F315 Y318 I322 W354 L357	V270-F296 HydrophobicContact CG2-CZ 4.25Å; I288-F296 HydrophobicContact CG2-CD2 4.37Å; I288-F296 HydrophobicContact CG2-CE2 4.2Å; V292-F296 HydrophobicContact CB-CE2 4.5Å; V292-F296 HydrophobicContact CG1-CD2 4.14Å; V292-F296 HydrophobicContact CG1-CE2 3.41Å; V292-F296 VanDerWaalsContact CG1-CE2 3.41Å; V292-F296 HydrophobicContact CG1-CZ 3.74Å; D293-F296 PolarHBondContact O-N 3.31Å; F296-Y298 VanDerWaalsContact C-N 3.33Å; F296-Y298 PolarHBondContact O-N 3.1Å; F296-L299 PolarHBondContact O-N 3.14Å; F296-V300 PolarHBondContact O-N 3.5Å; F296-F315 HydrophobicContact CB-CD2 4.23Å; F296-F315 HydrophobicContact CB-CE2 4.1Å; F296-Y318 HydrophobicContact CD1-CD2 4.09Å; F296-Y318 HydrophobicContact CD1-CG 4.18Å; F296-Y318 AromaticContact CE1-CD1 3.93Å; F296-Y318 HydrophobicContact CE1-CD1 3.93Å; F296-Y318 AromaticContact CE1-CD2 3.76Å; F296-Y318 HydrophobicContact CE1-CD2 3.76Å; F296-Y318 HydrophobicContact CE1-CE1 4.49Å; F296-Y318 HydrophobicContact CE1-CE2 4.33Å; F296-Y318 AromaticContact CE1-CG 3.53Å; F296-Y318 HydrophobicContact CE1-CG 3.53Å; F296-I322 HydrophobicContact CD2-CD1 4.31Å; F296-I322 HydrophobicContact CE1-CD1 4.16Å; F296-I322 HydrophobicContact CE2-CD1 3.85Å; F296-I322 HydrophobicContact CZ-CD1 3.78Å; F296-W354 HydrophobicContact CB-CZ3 3.86Å; F296-W354 HydrophobicContact CD2-CH2 4.48Å; F296-W354 AromaticContact CD2-CZ3 3.93Å; F296-W354 HydrophobicContact CD2-CZ3 3.93Å; F296-W354 HydrophobicContact CG-CZ3 4.1Å; F296-L357 HydrophobicContact CB-CD2 4.4Å
297	E	98.3	Very high	95.8	Very high	7 Å²	7	7.8 Å²	7.8	3%	0.033	5%	0.049	C	C	.	.	H	α-helix	trans	-57.1	-47.5	173.9	-66.8	-171.1	69.1	0	0	112	D293 S294 L299 V300 K301 F353	D293-E297 PolarHBondContact O-N 2.91Å; S294-E297 PolarHBondContact O-N 3.13Å; E297-L299 VanDerWaalsContact C-N 3.3Å; E297-L299 PolarHBondContact O-N 3.27Å; E297-V300 PolarHBondContact O-N 3.12Å; E297-V300 VanDerWaalsContact O-N 3.14Å; E297-K301 HydrophobicContact CB-CD 4.25Å; E297-K301 VanDerWaalsContact O-CB 3.28Å; E297-K301 WeakPolarHBondContact O-CB 3.19Å; E297-K301 WeakPolarHBondContact O-CG 3.5Å; E297-K301 PolarHBondContact O-N 2.92Å; E297-K301 IonicContact OE1-NZ 3.3Å; E297-K301 PolarHBondContact OE1-NZ 3.36Å; E297-F353 HydrophobicContact CG-CD2 3.21Å; E297-F353 HydrophobicContact CG-CE2 3.13Å; E297-F353 HydrophobicContact CG-CG 4.18Å; E297-F353 HydrophobicContact CG-CZ 4.05Å
298	Y	98.6	Very high	95.5	Very high	0 Å²	0	8.4 Å²	8.4	0%	0	5%	0.051	C	C	.	.	H	α-helix	trans	-69.8	-27.5	-175.7	-89.8	-133.3	0	0	0	112.8	T232 I234 L235 E236 S294 Y295 F296 G302 T513	T232-Y298 VanDerWaalsContact C-CD1 3.47Å; T232-Y298 VanDerWaalsContact CA-CD1 3.46Å; T232-Y298 HydrophobicContact CG2-CD1 3.88Å; T232-Y298 HydrophobicContact CG2-CD2 3.73Å; T232-Y298 HydrophobicContact CG2-CE1 3.51Å; T232-Y298 HydrophobicContact CG2-CE2 3.37Å; T232-Y298 HydrophobicContact CG2-CG 3.97Å; I234-Y298 HydrophobicContact CG2-CD1 3.93Å; I234-Y298 HydrophobicContact CG2-CG 4.41Å; L235-Y298 HydrophobicContact CB-CD1 4.27Å; L235-Y298 HydrophobicContact CB-CE1 3.83Å; L235-Y298 HydrophobicContact CD1-CD1 4.28Å; L235-Y298 HydrophobicContact CD1-CD2 3.92Å; L235-Y298 HydrophobicContact CD1-CE1 4.08Å; L235-Y298 HydrophobicContact CD1-CE2 3.67Å; L235-Y298 HydrophobicContact CD1-CG 4.23Å; L235-Y298 HydrophobicContact CG-CD1 3.87Å; L235-Y298 HydrophobicContact CG-CD2 4.36Å; L235-Y298 HydrophobicContact CG-CE1 3.84Å; L235-Y298 HydrophobicContact CG-CE2 4.31Å; L235-Y298 HydrophobicContact CG-CG 4.16Å; E236-Y298 PolarHBondContact OE1-OH 3.35Å; E236-Y298 VanDerWaalsContact OE2-CE1 3.31Å; E236-Y298 WeakPolarHBondContact OE2-CE1 3.23Å; E236-Y298 PolarHBondContact OE2-OH 3.27Å; S294-Y298 VanDerWaalsContact O-CB 3.31Å; S294-Y298 WeakPolarHBondContact O-CB 3.31Å; S294-Y298 VanDerWaalsContact O-CD2 3.3Å; S294-Y298 WeakPolarHBondContact O-CD2 3.43Å; S294-Y298 PolarHBondContact O-N 3.02Å; Y295-Y298 PolarHBondContact O-N 3.46Å; F296-Y298 VanDerWaalsContact C-N 3.33Å; F296-Y298 PolarHBondContact O-N 3.1Å; Y298-G302 VanDerWaalsContact O-CA 3.23Å; Y298-G302 WeakPolarHBondContact O-CA 3.48Å; Y298-G302 PolarHBondContact O-N 3.15Å; Y298-T513 HydrophobicContact CE2-CG2 3.89Å
299	L	98.7	Very high	95.2	Very high	0 Å²	0	11.8 Å²	11.8	0%	0	7%	0.067	C	C	.	.	H	α-helix	trans	-64.4	-43.9	170.3	-66.9	176.8	0	0	0	111.4	L257 Y295 F296 E297 A303 L311 M314 F315 Y318	L257-L299 HydrophobicContact CD2-CD2 4.22Å; Y295-L299 HydrophobicContact CD2-CD1 4.41Å; Y295-L299 HydrophobicContact CD2-CG 4.29Å; Y295-L299 HydrophobicContact CE1-CD1 4.49Å; Y295-L299 HydrophobicContact CE2-CD1 3.92Å; Y295-L299 HydrophobicContact CE2-CD2 4.05Å; Y295-L299 HydrophobicContact CE2-CG 4.01Å; Y295-L299 WeakPolarHBondContact O-CG 3.13Å; Y295-L299 PolarHBondContact O-N 3.24Å; F296-L299 PolarHBondContact O-N 3.14Å; E297-L299 VanDerWaalsContact C-N 3.3Å; E297-L299 PolarHBondContact O-N 3.27Å; L299-A303 WeakPolarHBondContact O-CB 3.39Å; L299-A303 PolarHBondContact O-N 3.5Å; L299-L311 HydrophobicContact CD2-CD2 3.97Å; L299-L311 WeakPolarHBondContact O-CB 3.48Å; L299-M314 HydrophobicContact CD1-CB 4.06Å; L299-M314 HydrophobicContact CD2-CB 4.06Å; L299-M314 HydrophobicContact CD2-SD 4.14Å; L299-F315 HydrophobicContact CB-CB 3.89Å; L299-F315 HydrophobicContact CD1-CB 4.32Å; L299-Y318 HydrophobicContact CD1-CD2 3.73Å; L299-Y318 HydrophobicContact CD1-CE2 3.8Å
300	V	97.9	Very high	95.2	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-77.2	-54.4	-179.4	177	0	0	0	0	111.5	F296 E297 G302 A303 I304 F315 L357 L361	F296-V300 PolarHBondContact O-N 3.5Å; E297-V300 PolarHBondContact O-N 3.12Å; E297-V300 VanDerWaalsContact O-N 3.14Å; V300-G302 PolarHBondContact O-N 3.39Å; V300-A303 WeakPolarHBondContact O-CB 3.17Å; V300-A303 PolarHBondContact O-N 3.35Å; V300-A303 VanDerWaalsContact O-N 3.14Å; V300-I304 HydrophobicContact CG1-CD1 3.94Å; V300-I304 WeakPolarHBondContact O-CG1 3.42Å; V300-I304 PolarHBondContact O-N 3.36Å; V300-F315 HydrophobicContact CG2-CB 4.03Å; V300-F315 HydrophobicContact CG2-CD1 3.66Å; V300-F315 HydrophobicContact CG2-CD2 3.4Å; V300-F315 VanDerWaalsContact CG2-CD2 3.4Å; V300-F315 HydrophobicContact CG2-CE1 3.99Å; V300-F315 HydrophobicContact CG2-CE2 3.71Å; V300-F315 HydrophobicContact CG2-CG 3.37Å; V300-F315 HydrophobicContact CG2-CZ 3.99Å; V300-L357 HydrophobicContact CB-CD1 3.59Å; V300-L357 HydrophobicContact CB-CG 4.39Å; V300-L357 HydrophobicContact CG1-CD1 3.78Å; V300-L357 HydrophobicContact CG2-CD1 3.83Å; V300-L357 HydrophobicContact CG2-CD2 4.1Å; V300-L357 HydrophobicContact CG2-CG 4.1Å; V300-L361 HydrophobicContact CG1-CD1 4.45Å; V300-L361 HydrophobicContact CG1-CD2 3.83Å; V300-L361 HydrophobicContact CG1-CG 4.06Å; V300-L361 HydrophobicContact CG2-CD1 4.1Å; V300-L361 HydrophobicContact CG2-CD2 4.47Å
301	K	97.5	Very high	95.3	Very high	4 Å²	4	15.5 Å²	15.5	2%	0.017	8%	0.079	C	C	.	.	H	α-helix	trans	-59.6	-39.8	179.9	-70.7	173	168.3	174.1	0	109.9	L235 E297 I304 M305 L360 E410 I510 F511	L235-K301 HydrophobicContact CD1-CB 3.96Å; L235-K301 HydrophobicContact CD2-CB 4.23Å; E297-K301 HydrophobicContact CB-CD 4.25Å; E297-K301 VanDerWaalsContact O-CB 3.28Å; E297-K301 WeakPolarHBondContact O-CB 3.19Å; E297-K301 WeakPolarHBondContact O-CG 3.5Å; E297-K301 PolarHBondContact O-N 2.92Å; E297-K301 IonicContact OE1-NZ 3.3Å; E297-K301 PolarHBondContact OE1-NZ 3.36Å; K301-I304 PolarHBondContact O-N 2.85Å; K301-M305 WeakPolarHBondContact O-CB 3.36Å; K301-M305 PolarHBondContact O-N 3.27Å; K301-L360 HydrophobicContact CG-CD1 4.5Å; K301-E410 IonicContact NZ-OE1 3.62Å; K301-E410 PolarHBondContact NZ-OE1 2.93Å; K301-I510 HydrophobicContact CB-CG2 3.85Å; K301-I510 HydrophobicContact CG-CG2 4.31Å; K301-F511 WeakPolarHBondContact CD-O 3.41Å
302	G	96.5	Very high	95.3	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-66.7	-42.4	174.5	0	0	0	0	0	113.1	Y298 V300 I304 M305 L306	Y298-G302 VanDerWaalsContact O-CA 3.23Å; Y298-G302 WeakPolarHBondContact O-CA 3.48Å; Y298-G302 PolarHBondContact O-N 3.15Å; V300-G302 PolarHBondContact O-N 3.39Å; G302-I304 VanDerWaalsContact C-N 3.29Å; G302-I304 PolarHBondContact O-N 3.48Å; G302-M305 PolarHBondContact O-N 3.33Å; G302-L306 VanDerWaalsContact O-CB 3.28Å; G302-L306 WeakPolarHBondContact O-CB 3.49Å; G302-L306 WeakPolarHBondContact O-CG 3.49Å; G302-L306 PolarHBondContact O-N 2.92Å
303	A	95.6	Very high	95.3	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-59	-41.2	174	0	0	0	0	0	112.3	L299 V300 Q307 D308 L311 L312 F627	L299-A303 WeakPolarHBondContact O-CB 3.39Å; L299-A303 PolarHBondContact O-N 3.5Å; V300-A303 WeakPolarHBondContact O-CB 3.17Å; V300-A303 PolarHBondContact O-N 3.35Å; V300-A303 VanDerWaalsContact O-N 3.14Å; A303-Q307 CarbonylContact O-C 3.55Å; A303-Q307 WeakPolarHBondContact O-CA 3.42Å; A303-Q307 PolarHBondContact O-N 2.94Å; A303-D308 VanDerWaalsContact CB-O 3.31Å; A303-D308 WeakPolarHBondContact CB-O 3.42Å; A303-D308 PolarHBondContact O-N 3.19Å; A303-L311 HydrophobicContact CB-CB 3.96Å; A303-L312 HydrophobicContact CB-CB 3.83Å; A303-L312 HydrophobicContact CB-CD1 4.46Å; A303-F627 HydrophobicContact CB-CE2 4.17Å
304	I	89.1	Confident	95.4	Very high	22 Å²	22	18.3 Å²	18.3	11%	0.113	9%	0.09	C	C	.	.	H	α-helix	trans	-69	-51.2	178.3	-63.8	166.3	0	0	0	110.5	V300 K301 G302 L306 Q307 I510 V626	V300-I304 HydrophobicContact CG1-CD1 3.94Å; V300-I304 WeakPolarHBondContact O-CG1 3.42Å; V300-I304 PolarHBondContact O-N 3.36Å; K301-I304 PolarHBondContact O-N 2.85Å; G302-I304 VanDerWaalsContact C-N 3.29Å; G302-I304 PolarHBondContact O-N 3.48Å; I304-L306 VanDerWaalsContact C-N 3.34Å; I304-L306 PolarHBondContact O-N 3.49Å; I304-Q307 PolarHBondContact O-N 3.45Å; I304-I510 HydrophobicContact CB-CD1 4.26Å; I304-I510 HydrophobicContact CG2-CD1 3.51Å; I304-I510 HydrophobicContact CG2-CG1 4.34Å; I304-V626 HydrophobicContact CB-CG2 4.32Å; I304-V626 HydrophobicContact CG1-CG2 4.07Å; I304-V626 HydrophobicContact CG2-CG2 3.99Å
305	M	91.9	Very high	95.4	Very high	9 Å²	9	18.4 Å²	18.4	4%	0.044	9%	0.09	C	C	.	.	H	α-helix	trans	-62.7	-39.9	-176.4	-170.6	-178.3	72.7	0	0	112.5	L235 A238 K301 G302 I510 L518 P520 L523	L235-M305 HydrophobicContact CB-CE 4.41Å; L235-M305 HydrophobicContact CD2-CB 4.36Å; L235-M305 HydrophobicContact CD2-CE 3.73Å; L235-M305 HydrophobicContact CD2-SD 4Å; L235-M305 WeakPolarHBondContact O-CE 3.4Å; A238-M305 HydrophobicContact CB-CE 4.39Å; K301-M305 WeakPolarHBondContact O-CB 3.36Å; K301-M305 PolarHBondContact O-N 3.27Å; G302-M305 PolarHBondContact O-N 3.33Å; M305-I510 HydrophobicContact CB-CB 4.38Å; M305-I510 HydrophobicContact CB-CG1 4.03Å; M305-I510 HydrophobicContact CB-CG2 4.42Å; M305-I510 HydrophobicContact CG-CG1 4.39Å; M305-L518 HydrophobicContact SD-CB 4.18Å; M305-L518 HydrophobicContact SD-CD1 3.88Å; M305-P520 HydrophobicContact CG-CG 4.24Å; M305-L523 HydrophobicContact CE-CD2 3.86Å; M305-L523 HydrophobicContact CG-CD2 3.91Å; M305-L523 HydrophobicContact SD-CD2 3.75Å
306	L	90.9	Very high	95.4	Very high	19 Å²	19	23.6 Å²	23.6	10%	0.099	11%	0.11	C	C	.	.	H	α-helix	trans	-99.3	-3.4	-174.4	-58.3	176.6	0	0	0	113.7	I234 A238 G302 I304 D308 L311	I234-L306 HydrophobicContact CD1-CD1 4.36Å; I234-L306 HydrophobicContact CG1-CD1 4.02Å; A238-L306 HydrophobicContact CB-CD1 3.73Å; A238-L306 HydrophobicContact CB-CD2 3.79Å; A238-L306 HydrophobicContact CB-CG 4.35Å; G302-L306 VanDerWaalsContact O-CB 3.28Å; G302-L306 WeakPolarHBondContact O-CB 3.49Å; G302-L306 WeakPolarHBondContact O-CG 3.49Å; G302-L306 PolarHBondContact O-N 2.92Å; I304-L306 VanDerWaalsContact C-N 3.34Å; I304-L306 PolarHBondContact O-N 3.49Å; L306-D308 HydrophobicContact CB-CB 4.06Å; L306-D308 PolarHBondContact O-N 2.9Å; L306-L311 HydrophobicContact CD1-CD1 4.46Å
307	Q	86.6	Confident	95.3	Very high	29 Å²	29	25 Å²	25	14%	0.136	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.2	44.2	-169.7	-58.8	-170.9	-21.9	0	0	111.8	A303 I304 P615 G617	A303-Q307 CarbonylContact O-C 3.55Å; A303-Q307 WeakPolarHBondContact O-CA 3.42Å; A303-Q307 PolarHBondContact O-N 2.94Å; I304-Q307 PolarHBondContact O-N 3.45Å; Q307-P615 PolarHBondContact OE1-O 2.94Å; Q307-G617 PolarHBondContact NE2-O 2.99Å
308	D	90.2	Very high	95.3	Very high	18 Å²	18	24.7 Å²	24.7	10%	0.096	12%	0.121	C	C	.	.			trans	-102.7	103.5	-170	-166.1	-32.6	0	0	0	111.9	R254 A303 L306 E310 L311 L312	R254-D308 IonicContact CZ-OD2 3.54Å; R254-D308 IonicContact NH1-OD2 2.69Å; R254-D308 PolarHBondContact NH1-OD2 3.06Å; R254-D308 IonicContact NH2-OD2 3Å; R254-D308 PolarHBondContact NH2-OD2 3.46Å; A303-D308 VanDerWaalsContact CB-O 3.31Å; A303-D308 WeakPolarHBondContact CB-O 3.42Å; A303-D308 PolarHBondContact O-N 3.19Å; L306-D308 HydrophobicContact CB-CB 4.06Å; L306-D308 PolarHBondContact O-N 2.9Å; D308-E310 VanDerWaalsContact C-N 3.26Å; D308-E310 PolarHBondContact O-N 3.05Å; D308-E310 WeakPolarHBondContact OD1-CA 3.2Å; D308-E310 VanDerWaalsContact OD1-CB 3.28Å; D308-E310 WeakPolarHBondContact OD1-CB 3.49Å; D308-E310 PolarHBondContact OD1-N 3.11Å; D308-L311 HydrophobicContact CB-CB 4.37Å; D308-L311 HydrophobicContact CB-CD1 3.96Å; D308-L311 HydrophobicContact CB-CG 4.07Å; D308-L311 PolarHBondContact O-N 2.99Å; D308-L311 PolarHBondContact OD1-N 3.44Å; D308-L312 PolarHBondContact O-N 2.81Å
309	Q	91.6	Very high	95.3	Very high	71 Å²	71	26 Å²	26	33%	0.332	13%	0.128	S	C	.	.	H	α-helix	trans	-64.9	-28.6	178.8	-171.6	65.2	59.9	0	0	112.9	L312 N313 F627	Q309-L312 PolarHBondContact O-N 3.02Å; Q309-N313 PolarHBondContact NE2-OD1 3.1Å; Q309-N313 VanDerWaalsContact O-CB 3.32Å; Q309-N313 WeakPolarHBondContact O-CB 3.18Å; Q309-N313 PolarHBondContact O-N 2.83Å; Q309-N313 PolarHBondContact O-ND2 2.78Å; Q309-F627 HydrophobicContact CB-CE1 4.25Å
310	E	95.6	Very high	95.2	Very high	107 Å²	107	32.3 Å²	32.3	50%	0.5	16%	0.157	S	C	.	.	H	α-helix	trans	-66.6	-46.6	-179.4	-171.6	-179	174.7	0	0	110.1	D308 L312 N313 M314	D308-E310 VanDerWaalsContact C-N 3.26Å; D308-E310 PolarHBondContact O-N 3.05Å; D308-E310 WeakPolarHBondContact OD1-CA 3.2Å; D308-E310 VanDerWaalsContact OD1-CB 3.28Å; D308-E310 WeakPolarHBondContact OD1-CB 3.49Å; D308-E310 PolarHBondContact OD1-N 3.11Å; E310-L312 VanDerWaalsContact C-N 3.34Å; E310-L312 PolarHBondContact O-N 2.86Å; E310-N313 PolarHBondContact O-N 2.84Å; E310-M314 HydrophobicContact CG-CE 4.06Å; E310-M314 WeakPolarHBondContact O-CG 3.38Å; E310-M314 PolarHBondContact O-N 3.23Å
311	L	97.4	Very high	95.3	Very high	4 Å²	4	32.6 Å²	32.6	2%	0.021	16%	0.159	C	C	.	.	H	α-helix	trans	-60.5	-43.1	176.9	-63.4	-179	0	0	0	111.8	I234 L257 L299 A303 L306 D308 M314 F315	I234-L311 HydrophobicContact CG1-CD1 4.14Å; L257-L311 HydrophobicContact CD1-CD2 3.81Å; L299-L311 HydrophobicContact CD2-CD2 3.97Å; L299-L311 WeakPolarHBondContact O-CB 3.48Å; A303-L311 HydrophobicContact CB-CB 3.96Å; L306-L311 HydrophobicContact CD1-CD1 4.46Å; D308-L311 HydrophobicContact CB-CB 4.37Å; D308-L311 HydrophobicContact CB-CD1 3.96Å; D308-L311 HydrophobicContact CB-CG 4.07Å; D308-L311 PolarHBondContact O-N 2.99Å; D308-L311 PolarHBondContact OD1-N 3.44Å; L311-M314 WeakPolarHBondContact O-CB 3.45Å; L311-M314 PolarHBondContact O-N 2.92Å; L311-F315 PolarHBondContact O-N 2.93Å
312	L	95.6	Very high	95.3	Very high	2 Å²	2	32.5 Å²	32.5	1%	0.01	16%	0.159	C	C	.	.	H	α-helix	trans	-64.6	-43.1	176.6	-173.2	77.8	0	0	0	112	A303 D308 Q309 E310 M314 F315 R316 L361 F627	A303-L312 HydrophobicContact CB-CB 3.83Å; A303-L312 HydrophobicContact CB-CD1 4.46Å; D308-L312 PolarHBondContact O-N 2.81Å; Q309-L312 PolarHBondContact O-N 3.02Å; E310-L312 VanDerWaalsContact C-N 3.34Å; E310-L312 PolarHBondContact O-N 2.86Å; L312-M314 PolarHBondContact O-N 3.14Å; L312-F315 PolarHBondContact O-N 3.1Å; L312-R316 HydrophobicContact CG-CG 4.37Å; L312-R316 WeakPolarHBondContact O-CG 3.26Å; L312-R316 PolarHBondContact O-N 2.94Å; L312-L361 HydrophobicContact CD1-CD2 3.98Å; L312-F627 HydrophobicContact CB-CD2 4.33Å; L312-F627 HydrophobicContact CB-CE2 4.04Å; L312-F627 HydrophobicContact CB-CZ 4.48Å; L312-F627 HydrophobicContact CD1-CD2 4.08Å; L312-F627 HydrophobicContact CD1-CE2 4.3Å; L312-F627 HydrophobicContact CD2-CB 3.55Å; L312-F627 HydrophobicContact CD2-CD1 4.12Å; L312-F627 HydrophobicContact CD2-CD2 3.1Å; L312-F627 HydrophobicContact CD2-CE2 3.66Å; L312-F627 HydrophobicContact CD2-CG 3.32Å; L312-F627 HydrophobicContact CD2-CZ 4.35Å; L312-F627 HydrophobicContact CG-CD2 4Å; L312-F627 HydrophobicContact CG-CE2 4.2Å
313	N	97.6	Very high	95.3	Very high	79 Å²	79	34.8 Å²	34.8	42%	0.422	17%	0.17	S	C	.	.	H	α-helix	trans	-63.4	-34.5	177.5	-72.7	-13.9	0	0	0	111.1	Q309 E310 A317	Q309-N313 PolarHBondContact NE2-OD1 3.1Å; Q309-N313 VanDerWaalsContact O-CB 3.32Å; Q309-N313 WeakPolarHBondContact O-CB 3.18Å; Q309-N313 PolarHBondContact O-N 2.83Å; Q309-N313 PolarHBondContact O-ND2 2.78Å; E310-N313 PolarHBondContact O-N 2.84Å; N313-A317 PolarHBondContact O-N 3.47Å
314	M	98.4	Very high	95.4	Very high	8 Å²	8	39.8 Å²	39.8	4%	0.039	20%	0.197	C	C	.	.	H	α-helix	trans	-60.1	-52.1	171.4	-70.4	-176	-177.7	0	0	111	W261 L299 E310 L311 L312 R316 A317 Y318	W261-M314 HydrophobicContact CB-CE 4.21Å; W261-M314 HydrophobicContact CB-SD 4.27Å; W261-M314 HydrophobicContact CD2-CB 4.41Å; W261-M314 HydrophobicContact CD2-CE 4.27Å; W261-M314 HydrophobicContact CD2-CG 3.77Å; W261-M314 HydrophobicContact CD2-SD 4.08Å; W261-M314 HydrophobicContact CE3-CB 3.81Å; W261-M314 HydrophobicContact CE3-CG 3.68Å; W261-M314 HydrophobicContact CE3-SD 4.17Å; W261-M314 HydrophobicContact CG-CE 3.96Å; W261-M314 HydrophobicContact CG-CG 4.42Å; W261-M314 HydrophobicContact CG-SD 4.18Å; W261-M314 HydrophobicContact CH2-CB 3.86Å; W261-M314 HydrophobicContact CH2-CG 3.87Å; W261-M314 HydrophobicContact CZ2-CB 4.47Å; W261-M314 HydrophobicContact CZ2-CG 3.97Å; W261-M314 HydrophobicContact CZ3-CB 3.53Å; W261-M314 HydrophobicContact CZ3-CG 3.76Å; W261-M314 VanDerWaalsContact CZ3-O 3.25Å; W261-M314 WeakPolarHBondContact CZ3-O 3.5Å; L299-M314 HydrophobicContact CD1-CB 4.06Å; L299-M314 HydrophobicContact CD2-CB 4.06Å; L299-M314 HydrophobicContact CD2-SD 4.14Å; E310-M314 HydrophobicContact CG-CE 4.06Å; E310-M314 WeakPolarHBondContact O-CG 3.38Å; E310-M314 PolarHBondContact O-N 3.23Å; L311-M314 WeakPolarHBondContact O-CB 3.45Å; L311-M314 PolarHBondContact O-N 2.92Å; L312-M314 PolarHBondContact O-N 3.14Å; M314-R316 PolarHBondContact O-N 3.27Å; M314-A317 PolarHBondContact O-N 3.3Å; M314-Y318 VanDerWaalsContact O-CD2 3.23Å; M314-Y318 WeakPolarHBondContact O-CD2 3.34Å; M314-Y318 PolarHBondContact O-N 3.25Å
315	F	98.3	Very high	95.8	Very high	4 Å²	4	42.5 Å²	42.5	2%	0.018	21%	0.206	C	C	.	.	H	α-helix	trans	-58.9	-47.3	177.9	176.8	-93	0	0	0	112.5	F296 L299 V300 L311 L312 A317 Y318 D319 W354 L357 L361	F296-F315 HydrophobicContact CB-CD2 4.23Å; F296-F315 HydrophobicContact CB-CE2 4.1Å; L299-F315 HydrophobicContact CB-CB 3.89Å; L299-F315 HydrophobicContact CD1-CB 4.32Å; V300-F315 HydrophobicContact CG2-CB 4.03Å; V300-F315 HydrophobicContact CG2-CD1 3.66Å; V300-F315 HydrophobicContact CG2-CD2 3.4Å; V300-F315 VanDerWaalsContact CG2-CD2 3.4Å; V300-F315 HydrophobicContact CG2-CE1 3.99Å; V300-F315 HydrophobicContact CG2-CE2 3.71Å; V300-F315 HydrophobicContact CG2-CG 3.37Å; V300-F315 HydrophobicContact CG2-CZ 3.99Å; L311-F315 PolarHBondContact O-N 2.93Å; L312-F315 PolarHBondContact O-N 3.1Å; F315-A317 PolarHBondContact O-N 3.38Å; F315-Y318 CarbonylContact O-C 3.47Å; F315-Y318 WeakPolarHBondContact O-CA 3.33Å; F315-Y318 WeakPolarHBondContact O-CB 3.45Å; F315-Y318 PolarHBondContact O-N 2.69Å; F315-D319 HydrophobicContact CD1-CB 4.34Å; F315-D319 HydrophobicContact CE1-CB 3.74Å; F315-D319 HydrophobicContact CZ-CB 3.99Å; F315-D319 PolarHBondContact O-N 3.32Å; F315-W354 AromaticContact CE2-CH2 3.78Å; F315-W354 HydrophobicContact CE2-CH2 3.78Å; F315-W354 HydrophobicContact CE2-CZ3 4.19Å; F315-W354 AromaticContact CZ-CH2 3.94Å; F315-W354 HydrophobicContact CZ-CH2 3.94Å; F315-W354 HydrophobicContact CZ-CZ2 4.37Å; F315-L357 HydrophobicContact CE2-CD2 3.64Å; F315-L357 HydrophobicContact CZ-CD2 4.04Å; F315-L361 HydrophobicContact CD1-CD1 3.85Å; F315-L361 HydrophobicContact CE1-CD1 3.14Å; F315-L361 HydrophobicContact CZ-CD1 3.69Å
316	R	97.9	Very high	96	Very high	108 Å²	108	42.1 Å²	42.1	41%	0.408	20%	0.204	S	C	.	.	H	α-helix	trans	-57.2	-37.4	-178.8	-76.1	175.2	172.6	174.3	-3.6	112.5	L312 M314 Q320 F627	L312-R316 HydrophobicContact CG-CG 4.37Å; L312-R316 WeakPolarHBondContact O-CG 3.26Å; L312-R316 PolarHBondContact O-N 2.94Å; M314-R316 PolarHBondContact O-N 3.27Å; R316-Q320 PolarHBondContact O-N 3.49Å; R316-F627 PolarHBondContact NH2-O 3.22Å
317	A	98.3	Very high	96.3	Very high	34 Å²	34	44.2 Å²	44.2	28%	0.281	21%	0.211	S	C	.	.	H	α-helix	trans	-68	-38.2	175.1	0	0	0	0	0	112.3	W261 N313 M314 F315 A321	W261-A317 HydrophobicContact CH2-CB 3.65Å; W261-A317 HydrophobicContact CZ3-CB 4.31Å; N313-A317 PolarHBondContact O-N 3.47Å; M314-A317 PolarHBondContact O-N 3.3Å; F315-A317 PolarHBondContact O-N 3.38Å; A317-A321 PolarHBondContact O-N 2.96Å
318	Y	98.3	Very high	96.7	Very high	1 Å²	1	47.1 Å²	47.1	0%	0.004	22%	0.223	C	C	.	.	H	α-helix	trans	-68	-46.7	174.7	-73.4	-56.9	0	0	0	112.2	W261 R264 G268 V270 Y295 F296 L299 M314 F315 Q320 A321 I322	W261-Y318 HydrophobicContact CE3-CD2 4.37Å; W261-Y318 AromaticContact CE3-CE2 3.51Å; W261-Y318 HydrophobicContact CE3-CE2 3.51Å; W261-Y318 AromaticContact CE3-CZ 3.64Å; W261-Y318 AromaticContact CZ3-CD2 3.88Å; W261-Y318 HydrophobicContact CZ3-CD2 3.88Å; W261-Y318 HydrophobicContact CZ3-CE1 4.44Å; W261-Y318 AromaticContact CZ3-CE2 3.47Å; W261-Y318 HydrophobicContact CZ3-CE2 3.47Å; W261-Y318 VanDerWaalsContact CZ3-CE2 3.47Å; W261-Y318 AromaticContact CZ3-CZ 3.8Å; R264-Y318 VanDerWaalsContact CD-CZ 3.49Å; R264-Y318 WeakPolarHBondContact CD-OH 3.48Å; R264-Y318 HydrophobicContact CG-CE1 3.63Å; R264-Y318 WeakPolarHBondContact CG-OH 3.2Å; G268-Y318 VanDerWaalsContact O-CD1 3.28Å; G268-Y318 WeakPolarHBondContact O-CD1 3.4Å; G268-Y318 WeakPolarHBondContact O-CE1 3.25Å; V270-Y318 HydrophobicContact CG1-CE1 3.85Å; V270-Y318 WeakPolarHBondContact CG1-OH 3.21Å; V270-Y318 HydrophobicContact CG2-CE1 4.4Å; Y295-Y318 HydrophobicContact CE1-CD2 4.43Å; Y295-Y318 AromaticContact CE1-CE2 3.55Å; Y295-Y318 HydrophobicContact CE1-CE2 3.55Å; Y295-Y318 AromaticContact CE1-CZ 3.63Å; Y295-Y318 WeakPolarHBondContact CE1-OH 3.26Å; Y295-Y318 AromaticContact CZ-CE2 3.63Å; Y295-Y318 AromaticContact CZ-CZ 3.94Å; Y295-Y318 VanDerWaalsContact OH-CE2 3.24Å; Y295-Y318 WeakPolarHBondContact OH-CE2 3.42Å; Y295-Y318 PolarHBondContact OH-OH 3.07Å; F296-Y318 HydrophobicContact CD1-CD2 4.09Å; F296-Y318 HydrophobicContact CD1-CG 4.18Å; F296-Y318 AromaticContact CE1-CD1 3.93Å; F296-Y318 HydrophobicContact CE1-CD1 3.93Å; F296-Y318 AromaticContact CE1-CD2 3.76Å; F296-Y318 HydrophobicContact CE1-CD2 3.76Å; F296-Y318 HydrophobicContact CE1-CE1 4.49Å; F296-Y318 HydrophobicContact CE1-CE2 4.33Å; F296-Y318 AromaticContact CE1-CG 3.53Å; F296-Y318 HydrophobicContact CE1-CG 3.53Å; L299-Y318 HydrophobicContact CD1-CD2 3.73Å; L299-Y318 HydrophobicContact CD1-CE2 3.8Å; M314-Y318 VanDerWaalsContact O-CD2 3.23Å; M314-Y318 WeakPolarHBondContact O-CD2 3.34Å; M314-Y318 PolarHBondContact O-N 3.25Å; F315-Y318 CarbonylContact O-C 3.47Å; F315-Y318 WeakPolarHBondContact O-CA 3.33Å; F315-Y318 WeakPolarHBondContact O-CB 3.45Å; F315-Y318 PolarHBondContact O-N 2.69Å; Y318-Q320 VanDerWaalsContact C-N 3.27Å; Y318-Q320 PolarHBondContact O-N 3.18Å; Y318-A321 CarbonylContact O-C 3.53Å; Y318-A321 WeakPolarHBondContact O-CA 3.25Å; Y318-A321 WeakPolarHBondContact O-CB 3.25Å; Y318-A321 PolarHBondContact O-N 3.23Å; Y318-I322 WeakPolarHBondContact O-CB 3.06Å; Y318-I322 VanDerWaalsContact O-CG1 3.26Å; Y318-I322 WeakPolarHBondContact O-CG1 3.14Å; Y318-I322 PolarHBondContact O-N 2.88Å
319	D	97.6	Very high	96.8	Very high	28 Å²	28	53.4 Å²	53.4	15%	0.15	26%	0.257	C	S	.	.	H	α-helix	trans	-55.9	-46.1	177.2	-176.8	44.3	0	0	0	109.8	F315 A321 I322 Q323	F315-D319 HydrophobicContact CD1-CB 4.34Å; F315-D319 HydrophobicContact CE1-CB 3.74Å; F315-D319 HydrophobicContact CZ-CB 3.99Å; F315-D319 PolarHBondContact O-N 3.32Å; D319-A321 VanDerWaalsContact C-N 3.3Å; D319-A321 PolarHBondContact O-N 3.33Å; D319-I322 PolarHBondContact O-N 3.04Å; D319-I322 VanDerWaalsContact O-N 3.11Å; D319-Q323 WeakPolarHBondContact O-CB 3.41Å; D319-Q323 WeakPolarHBondContact O-CG 3.49Å; D319-Q323 PolarHBondContact O-N 3.33Å; D319-Q323 PolarHBondContact OD1-NE2 3.03Å
320	Q	97.7	Very high	97	Very high	132 Å²	132	51.4 Å²	51.4	62%	0.617	25%	0.248	S	C	*	.	H	α-helix	trans	-55	-43.6	174.7	-171.6	179.3	14	0	0	113	R316 Y318 N324	R316-Q320 PolarHBondContact O-N 3.49Å; Y318-Q320 VanDerWaalsContact C-N 3.27Å; Y318-Q320 PolarHBondContact O-N 3.18Å; Q320-N324 WeakPolarHBondContact O-CB 3.48Å; Q320-N324 PolarHBondContact O-N 3.35Å; Q320-N324 PolarHBondContact O-ND2 3.21Å
321	A	98.2	Very high	97	Very high	5 Å²	5	47.7 Å²	47.7	4%	0.041	23%	0.23	C	C	.	.	H	α-helix	trans	-68.4	-42.1	176.8	0	0	0	0	0	112.2	I267 L269 A317 Y318 D319 N324 Y325	I267-A321 WeakPolarHBondContact O-CB 3.24Å; L269-A321 HydrophobicContact CD2-CB 3.73Å; L269-A321 HydrophobicContact CG-CB 4.26Å; A317-A321 PolarHBondContact O-N 2.96Å; Y318-A321 CarbonylContact O-C 3.53Å; Y318-A321 WeakPolarHBondContact O-CA 3.25Å; Y318-A321 WeakPolarHBondContact O-CB 3.25Å; Y318-A321 PolarHBondContact O-N 3.23Å; D319-A321 VanDerWaalsContact C-N 3.3Å; D319-A321 PolarHBondContact O-N 3.33Å; A321-N324 PolarHBondContact O-N 3.41Å; A321-Y325 VanDerWaalsContact O-CD2 3.24Å; A321-Y325 WeakPolarHBondContact O-CD2 3.37Å; A321-Y325 PolarHBondContact O-N 2.83Å
322	I	97.9	Very high	97	Very high	2 Å²	2	47.5 Å²	47.5	1%	0.01	23%	0.229	C	C	.	.	H	α-helix	trans	-60.1	-47.8	177.2	-71.8	164.9	0	0	0	110.1	L269 I288 F296 Y318 D319 N324 Y325 T326 R327 Y332 W354	L269-I322 HydrophobicContact CD2-CG1 4.36Å; I288-I322 HydrophobicContact CG2-CD1 3.85Å; I288-I322 HydrophobicContact CG2-CG1 4.29Å; I288-I322 HydrophobicContact CG2-CG2 3.94Å; F296-I322 HydrophobicContact CD2-CD1 4.31Å; F296-I322 HydrophobicContact CE1-CD1 4.16Å; F296-I322 HydrophobicContact CE2-CD1 3.85Å; F296-I322 HydrophobicContact CZ-CD1 3.78Å; Y318-I322 WeakPolarHBondContact O-CB 3.06Å; Y318-I322 VanDerWaalsContact O-CG1 3.26Å; Y318-I322 WeakPolarHBondContact O-CG1 3.14Å; Y318-I322 PolarHBondContact O-N 2.88Å; D319-I322 PolarHBondContact O-N 3.04Å; D319-I322 VanDerWaalsContact O-N 3.11Å; I322-N324 VanDerWaalsContact C-N 3.29Å; I322-N324 PolarHBondContact O-N 2.88Å; I322-Y325 PolarHBondContact O-N 3.4Å; I322-T326 WeakPolarHBondContact CA-OG1 3.13Å; I322-T326 WeakPolarHBondContact CG2-OG1 3.49Å; I322-T326 WeakPolarHBondContact O-CA 3.42Å; I322-T326 WeakPolarHBondContact O-CB 3.31Å; I322-T326 PolarHBondContact O-N 3.38Å; I322-T326 PolarHBondContact O-OG1 3.07Å; I322-R327 PolarHBondContact O-N 3.04Å; I322-R327 VanDerWaalsContact O-N 3.16Å; I322-Y332 HydrophobicContact CG2-CD1 3.66Å; I322-Y332 HydrophobicContact CG2-CE1 3.82Å; I322-W354 HydrophobicContact CD1-CH2 3.69Å; I322-W354 HydrophobicContact CD1-CZ2 4.23Å; I322-W354 HydrophobicContact CG2-CZ2 4.05Å
323	Q	96.5	Very high	97	Very high	48 Å²	48	48.2 Å²	48.2	22%	0.224	23%	0.232	C	C	.	.	H	α-helix	trans	-59.9	-38.7	176.6	-64.2	-54.9	-28.3	0	0	112.2	D319	D319-Q323 WeakPolarHBondContact O-CB 3.41Å; D319-Q323 WeakPolarHBondContact O-CG 3.49Å; D319-Q323 PolarHBondContact O-N 3.33Å; D319-Q323 PolarHBondContact OD1-NE2 3.03Å
324	N	97.1	Very high	97	Very high	106 Å²	106	44.9 Å²	44.9	57%	0.567	21%	0.214	S	C	*	.	H	α-helix	trans	-77.1	-34.8	-176.8	-73.2	-17.6	0	0	0	113.8	Q320 A321 I322	Q320-N324 WeakPolarHBondContact O-CB 3.48Å; Q320-N324 PolarHBondContact O-N 3.35Å; Q320-N324 PolarHBondContact O-ND2 3.21Å; A321-N324 PolarHBondContact O-N 3.41Å; I322-N324 VanDerWaalsContact C-N 3.29Å; I322-N324 PolarHBondContact O-N 2.88Å
325	Y	97.9	Very high	97	Very high	79 Å²	79	44.5 Å²	44.5	31%	0.31	21%	0.212	S	C	.	.	H	α-helix	trans	-118	-26.2	-167.5	-63.5	-69.1	0	0	0	114.5	I267 A321 I322 F328 V335	I267-Y325 HydrophobicContact CB-CD2 4.37Å; I267-Y325 HydrophobicContact CB-CE2 3.73Å; I267-Y325 HydrophobicContact CD1-CD1 4.28Å; I267-Y325 HydrophobicContact CD1-CD2 4.13Å; I267-Y325 HydrophobicContact CD1-CE1 4.32Å; I267-Y325 HydrophobicContact CD1-CE2 4.19Å; I267-Y325 HydrophobicContact CD1-CG 4.19Å; I267-Y325 HydrophobicContact CG1-CE2 4.37Å; I267-Y325 HydrophobicContact CG2-CE2 4.4Å; A321-Y325 VanDerWaalsContact O-CD2 3.24Å; A321-Y325 WeakPolarHBondContact O-CD2 3.37Å; A321-Y325 PolarHBondContact O-N 2.83Å; I322-Y325 PolarHBondContact O-N 3.4Å; Y325-F328 WeakPolarHBondContact O-CE2 3.42Å; Y325-V335 VanDerWaalsContact O-CG1 3.28Å; Y325-V335 WeakPolarHBondContact O-CG1 3.38Å
326	T	96.9	Very high	97	Very high	1 Å²	1	46 Å²	46	1%	0.006	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.7	-25.4	-173.6	72.6	0	0	0	0	113.2	L269 I322 F328 Y332 L333 V335	L269-T326 HydrophobicContact CD2-CG2 4.49Å; I322-T326 WeakPolarHBondContact CA-OG1 3.13Å; I322-T326 WeakPolarHBondContact CG2-OG1 3.49Å; I322-T326 WeakPolarHBondContact O-CA 3.42Å; I322-T326 WeakPolarHBondContact O-CB 3.31Å; I322-T326 PolarHBondContact O-N 3.38Å; I322-T326 PolarHBondContact O-OG1 3.07Å; T326-F328 VanDerWaalsContact O-CD2 3.24Å; T326-F328 WeakPolarHBondContact O-CD2 3.17Å; T326-Y332 CarbonylContact O-C 3.54Å; T326-Y332 WeakPolarHBondContact O-CA 3.33Å; T326-L333 WeakPolarHBondContact CB-O 3.24Å; T326-L333 PolarHBondContact O-N 3.13Å; T326-V335 HydrophobicContact CG2-CG1 4.49Å; T326-V335 HydrophobicContact CG2-CG2 3.91Å
327	R	96.4	Very high	97	Very high	63 Å²	63	40.8 Å²	40.8	24%	0.238	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	119.9	-176.4	-174.4	178	175.7	175.1	9.5	112.3	I322 D330 W331 Y332 S366	I322-R327 PolarHBondContact O-N 3.04Å; I322-R327 VanDerWaalsContact O-N 3.16Å; R327-D330 IonicContact CZ-OD1 2.81Å; R327-D330 VanDerWaalsContact CZ-OD1 3.3Å; R327-D330 IonicContact NE-OD1 3.13Å; R327-D330 PolarHBondContact NE-OD1 2.9Å; R327-D330 VanDerWaalsContact NE-OD1 3.13Å; R327-D330 IonicContact NH2-OD1 2.66Å; R327-D330 PolarHBondContact NH2-OD1 3.11Å; R327-W331 CarbonylContact C-O 3.52Å; R327-W331 VanDerWaalsContact CA-O 3.27Å; R327-W331 WeakPolarHBondContact CA-O 3.48Å; R327-Y332 HydrophobicContact CB-CD1 4.27Å; R327-Y332 HydrophobicContact CB-CE1 4.06Å; R327-Y332 HydrophobicContact CG-CE1 4.24Å; R327-S366 PolarHBondContact NH1-OG 3.46Å; R327-S366 PolarHBondContact NH2-OG 2.84Å
328	F	94.9	Very high	96.9	Very high	89 Å²	89	43.2 Å²	43.2	39%	0.39	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	116.8	174	-62.9	-91.5	0	0	0	109.5	Y325 T326 D330 W331 L333 V342	Y325-F328 WeakPolarHBondContact O-CE2 3.42Å; T326-F328 VanDerWaalsContact O-CD2 3.24Å; T326-F328 WeakPolarHBondContact O-CD2 3.17Å; F328-D330 PolarHBondContact O-N 3.31Å; F328-W331 PolarHBondContact N-O 2.85Å; F328-W331 WeakPolarHBondContact O-CA 3.5Å; F328-W331 WeakPolarHBondContact O-CB 3.35Å; F328-W331 PolarHBondContact O-N 3.39Å; F328-L333 HydrophobicContact CB-CD1 4.1Å; F328-L333 HydrophobicContact CB-CG 4.34Å; F328-L333 HydrophobicContact CD2-CB 4.12Å; F328-L333 HydrophobicContact CD2-CD1 3.61Å; F328-L333 HydrophobicContact CD2-CG 3.74Å; F328-L333 HydrophobicContact CE2-CB 4.49Å; F328-L333 HydrophobicContact CE2-CD1 4.28Å; F328-L333 HydrophobicContact CG-CD1 3.98Å; F328-L333 HydrophobicContact CG-CG 4.38Å; F328-V342 HydrophobicContact CE2-CG2 3.86Å; F328-V342 HydrophobicContact CZ-CG2 3.93Å
329	D	93.4	Very high	96.9	Very high	150 Å²	150	51.1 Å²	51.1	80%	0.802	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	48.7	44	-179.7	-61.3	-32.8	0	0	0	113.9	W331 N373	D329-W331 VanDerWaalsContact O-CD1 3.31Å; D329-W331 PolarHBondContact O-N 3Å; D329-N373 PolarHBondContact O-ND2 2.75Å
330	D	94.6	Very high	96.8	Very high	29 Å²	29	50.4 Å²	50.4	16%	0.155	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.7	20.9	-176.9	-57.9	-48.8	0	0	0	114.8	R327 F328 R369 N373	R327-D330 IonicContact CZ-OD1 2.81Å; R327-D330 VanDerWaalsContact CZ-OD1 3.3Å; R327-D330 IonicContact NE-OD1 3.13Å; R327-D330 PolarHBondContact NE-OD1 2.9Å; R327-D330 VanDerWaalsContact NE-OD1 3.13Å; R327-D330 IonicContact NH2-OD1 2.66Å; R327-D330 PolarHBondContact NH2-OD1 3.11Å; F328-D330 PolarHBondContact O-N 3.31Å; D330-R369 HydrophobicContact CB-CB 4.18Å; D330-R369 IonicContact OD1-NE 2.71Å; D330-R369 VanDerWaalsContact OD2-CB 3.31Å; D330-R369 WeakPolarHBondContact OD2-CB 3.42Å; D330-R369 WeakPolarHBondContact OD2-CD 3.49Å; D330-R369 IonicContact OD2-NE 3.1Å; D330-R369 PolarHBondContact OD2-NE 2.87Å; D330-N373 PolarHBondContact O-ND2 3.05Å
331	W	96.8	Very high	96.8	Very high	29 Å²	29	46.9 Å²	46.9	11%	0.11	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	152.7	161.6	-61.3	92.5	0	0	0	110.7	R327 F328 D329 L333 F347 N373 Y374 V377 Y388 I390	R327-W331 CarbonylContact C-O 3.52Å; R327-W331 VanDerWaalsContact CA-O 3.27Å; R327-W331 WeakPolarHBondContact CA-O 3.48Å; F328-W331 PolarHBondContact N-O 2.85Å; F328-W331 WeakPolarHBondContact O-CA 3.5Å; F328-W331 WeakPolarHBondContact O-CB 3.35Å; F328-W331 PolarHBondContact O-N 3.39Å; D329-W331 VanDerWaalsContact O-CD1 3.31Å; D329-W331 PolarHBondContact O-N 3Å; W331-L333 HydrophobicContact CB-CD2 4.06Å; W331-F347 HydrophobicContact CE3-CB 3.68Å; W331-F347 HydrophobicContact CE3-CD2 4.39Å; W331-F347 HydrophobicContact CE3-CG 4.14Å; W331-F347 HydrophobicContact CZ3-CB 3.45Å; W331-F347 VanDerWaalsContact CZ3-CB 3.45Å; W331-F347 HydrophobicContact CZ3-CD1 4.04Å; W331-F347 HydrophobicContact CZ3-CD2 4.09Å; W331-F347 AromaticContact CZ3-CG 3.6Å; W331-F347 HydrophobicContact CZ3-CG 3.6Å; W331-N373 HydrophobicContact CD2-CB 4.4Å; W331-N373 HydrophobicContact CH2-CB 3.87Å; W331-N373 HydrophobicContact CZ2-CB 3.62Å; W331-N373 HydrophobicContact CZ3-CB 4.34Å; W331-N373 PolarHBondContact NE1-ND2 3.06Å; W331-Y374 HydrophobicContact CE3-CD1 4.31Å; W331-Y374 AromaticContact CE3-CE1 3.83Å; W331-Y374 HydrophobicContact CE3-CE1 3.83Å; W331-Y374 HydrophobicContact CH2-CD1 4.34Å; W331-Y374 AromaticContact CZ3-CD1 3.73Å; W331-Y374 HydrophobicContact CZ3-CD1 3.73Å; W331-Y374 AromaticContact CZ3-CE1 3.7Å; W331-Y374 HydrophobicContact CZ3-CE1 3.7Å; W331-V377 HydrophobicContact CH2-CG2 3.95Å; W331-Y388 HydrophobicContact CH2-CD1 4.25Å; W331-Y388 HydrophobicContact CH2-CE1 4.13Å; W331-I390 HydrophobicContact CB-CD1 3.75Å; W331-I390 HydrophobicContact CD2-CD1 3.62Å; W331-I390 HydrophobicContact CD2-CG1 3.85Å; W331-I390 HydrophobicContact CD2-CG2 4.38Å; W331-I390 HydrophobicContact CE3-CD1 3.62Å; W331-I390 HydrophobicContact CE3-CG1 3.85Å; W331-I390 HydrophobicContact CG-CD1 3.71Å; W331-I390 HydrophobicContact CG-CG1 4.29Å; W331-I390 HydrophobicContact CG-CG2 4.31Å; W331-I390 HydrophobicContact CZ3-CD1 4.43Å; W331-I390 HydrophobicContact CZ3-CG1 4.24Å
332	Y	97	Very high	96.8	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	89.9	179.6	-64	-94.5	0	0	0	109.7	I288 I322 T326 R327 W354 Q358 T370	I288-Y332 VanDerWaalsContact CD1-CB 3.47Å; I288-Y332 HydrophobicContact CD1-CD1 3.99Å; I288-Y332 HydrophobicContact CD1-CD2 3.68Å; I288-Y332 HydrophobicContact CD1-CE2 4.44Å; I288-Y332 HydrophobicContact CD1-CG 3.42Å; I288-Y332 VanDerWaalsContact CD1-CG 3.42Å; I288-Y332 HydrophobicContact CG1-CG 4.14Å; I322-Y332 HydrophobicContact CG2-CD1 3.66Å; I322-Y332 HydrophobicContact CG2-CE1 3.82Å; T326-Y332 CarbonylContact O-C 3.54Å; T326-Y332 WeakPolarHBondContact O-CA 3.33Å; R327-Y332 HydrophobicContact CB-CD1 4.27Å; R327-Y332 HydrophobicContact CB-CE1 4.06Å; R327-Y332 HydrophobicContact CG-CE1 4.24Å; Y332-W354 AromaticContact CE1-NE1 3.5Å; Y332-W354 AromaticContact CE2-CD1 3.61Å; Y332-W354 AromaticContact CE2-NE1 3.86Å; Y332-W354 AromaticContact CZ-CD1 3.53Å; Y332-W354 AromaticContact CZ-NE1 3.28Å; Y332-W354 VanDerWaalsContact CZ-NE1 3.28Å; Y332-W354 PolarHBondContact OH-NE1 2.96Å; Y332-Q358 PolarHBondContact OH-NE2 3.41Å; Y332-T370 HydrophobicContact CD2-CG2 4.31Å; Y332-T370 HydrophobicContact CE2-CG2 3.76Å
333	L	96.3	Very high	96.6	Very high	17 Å²	17	52.2 Å²	52.2	9%	0.089	26%	0.26	C	S	.	.			trans	-76.9	151.5	-174.3	-51.4	-172.3	0	0	0	111.5	T326 F328 W331 V342 P345 I390	T326-L333 WeakPolarHBondContact CB-O 3.24Å; T326-L333 PolarHBondContact O-N 3.13Å; F328-L333 HydrophobicContact CB-CD1 4.1Å; F328-L333 HydrophobicContact CB-CG 4.34Å; F328-L333 HydrophobicContact CD2-CB 4.12Å; F328-L333 HydrophobicContact CD2-CD1 3.61Å; F328-L333 HydrophobicContact CD2-CG 3.74Å; F328-L333 HydrophobicContact CE2-CB 4.49Å; F328-L333 HydrophobicContact CE2-CD1 4.28Å; F328-L333 HydrophobicContact CG-CD1 3.98Å; F328-L333 HydrophobicContact CG-CG 4.38Å; W331-L333 HydrophobicContact CB-CD2 4.06Å; L333-V342 HydrophobicContact CB-CG1 4.37Å; L333-V342 HydrophobicContact CD1-CG1 4.11Å; L333-V342 HydrophobicContact CD1-CG2 4.15Å; L333-P345 HydrophobicContact CD1-CB 4.31Å; L333-I390 HydrophobicContact CD2-CD1 3.23Å
334	W	96.9	Very high	96.5	Very high	10 Å²	10	52.9 Å²	52.9	4%	0.038	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	132.1	172.6	-73.5	60.2	0	0	0	110.2	N272 D285 A286 T343 M344 E351	N272-W334 HydrophobicContact CB-CZ3 4.22Å; N272-W334 VanDerWaalsContact ND2-CH2 3.33Å; N272-W334 WeakPolarHBondContact ND2-CH2 3.5Å; D285-W334 HydrophobicContact CB-CE3 3.64Å; D285-W334 HydrophobicContact CB-CZ3 4.06Å; A286-W334 WeakPolarHBondContact O-CA 3.42Å; W334-T343 PolarHBondContact O-N 2.76Å; W334-T343 PolarHBondContact O-OG1 3.24Å; W334-M344 HydrophobicContact CB-CB 4.08Å; W334-M344 HydrophobicContact CB-CE 3.96Å; W334-M344 HydrophobicContact CD2-CE 3.79Å; W334-M344 HydrophobicContact CE3-CE 3.65Å; W334-M344 HydrophobicContact CG-CE 3.92Å; W334-M344 HydrophobicContact CZ3-CE 4.42Å; W334-M344 PolarHBondContact N-O 3.24Å; W334-M344 PolarHBondContact O-N 3.23Å; W334-E351 PolarHBondContact NE1-OE1 2.88Å; W334-E351 VanDerWaalsContact NE1-OE1 3.08Å
335	V	97.8	Very high	96.4	Very high	0 Å²	0	50 Å²	50	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	159.8	-176.7	-54.3	0	0	0	0	111.6	L269 D285 A286 Y325 T326 M337 S341 V342	L269-V335 HydrophobicContact CD1-CG2 3.66Å; D285-V335 CarbonylContact C-O 3.55Å; D285-V335 WeakPolarHBondContact CA-O 3.42Å; A286-V335 HydrophobicContact CB-CG2 4.3Å; A286-V335 PolarHBondContact N-O 3.11Å; A286-V335 PolarHBondContact O-N 3.39Å; Y325-V335 VanDerWaalsContact O-CG1 3.28Å; Y325-V335 WeakPolarHBondContact O-CG1 3.38Å; T326-V335 HydrophobicContact CG2-CG1 4.49Å; T326-V335 HydrophobicContact CG2-CG2 3.91Å; V335-M337 PolarHBondContact O-N 2.95Å; V335-S341 CarbonylContact C-O 3.49Å; V335-S341 VanDerWaalsContact CA-O 3.32Å; V335-S341 WeakPolarHBondContact CA-O 3.45Å; V335-V342 HydrophobicContact CG1-CG2 4.3Å
336	Q	97.9	Very high	96.3	Very high	34 Å²	34	47 Å²	47	16%	0.159	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	125.4	172.7	-161.9	-81.3	-11.9	0	0	109.8	Q284 H338 K339 G340 S341 T343	Q284-Q336 VanDerWaalsContact OE1-NE2 3.15Å; Q336-H338 VanDerWaalsContact C-N 3.26Å; Q336-H338 PolarHBondContact O-N 3.22Å; Q336-H338 VanDerWaalsContact O-N 3.07Å; Q336-K339 PolarHBondContact O-N 2.82Å; Q336-G340 PolarHBondContact O-N 3.5Å; Q336-S341 PolarHBondContact N-O 3.19Å; Q336-T343 HydrophobicContact CB-CG2 3.83Å
337	M	97.8	Very high	96.3	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-24.7	-167	73.6	179.2	-71.9	0	0	115.9	S265 I267 L269 W281 Q284 A286 V335	S265-M337 WeakPolarHBondContact CB-O 3.36Å; S265-M337 PolarHBondContact OG-O 3.26Å; I267-M337 VanDerWaalsContact CD1-O 3.22Å; I267-M337 WeakPolarHBondContact CD1-O 3.43Å; I267-M337 WeakPolarHBondContact CG1-O 3.39Å; L269-M337 HydrophobicContact CB-CB 4.2Å; L269-M337 WeakPolarHBondContact O-CE 3.13Å; W281-M337 HydrophobicContact CB-SD 4.01Å; W281-M337 VanDerWaalsContact CD1-CE 3.49Å; W281-M337 HydrophobicContact CD2-CE 4.19Å; W281-M337 HydrophobicContact CD2-SD 4.08Å; W281-M337 HydrophobicContact CG-CE 3.99Å; W281-M337 HydrophobicContact CG-SD 3.63Å; Q284-M337 HydrophobicContact CB-CG 4.13Å; Q284-M337 HydrophobicContact CB-SD 4.14Å; Q284-M337 HydrophobicContact CG-SD 4.2Å; Q284-M337 VanDerWaalsContact O-CB 3.31Å; Q284-M337 WeakPolarHBondContact O-CB 2.78Å; Q284-M337 WeakPolarHBondContact O-CG 3.35Å; Q284-M337 PolarHBondContact O-N 3.46Å; A286-M337 HydrophobicContact CB-CB 3.92Å; V335-M337 PolarHBondContact O-N 2.95Å
338	H	97.9	Very high	96.3	Very high	85 Å²	85	44.2 Å²	44.2	39%	0.394	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.9	-22.4	-178.6	-67.7	-77.6	0	0	0	113.5	Q336	Q336-H338 VanDerWaalsContact C-N 3.26Å; Q336-H338 PolarHBondContact O-N 3.22Å; Q336-H338 VanDerWaalsContact O-N 3.07Å
339	K	97	Very high	96.4	Very high	167 Å²	167	40 Å²	40	73%	0.726	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	-114.7	-20.8	-173.2	-66.8	-178.3	-179.8	176.2	0	113.6	Q336 S341	Q336-K339 PolarHBondContact O-N 2.82Å; K339-S341 PolarHBondContact O-N 3.12Å
340	G	96.7	Very high	96.5	Very high	12 Å²	12	34 Å²	34	12%	0.124	18%	0.18	C	C	.	.			trans	66.2	14.4	-172.5	0	0	0	0	0	113.6	Q336	Q336-G340 PolarHBondContact O-N 3.5Å
341	S	97.1	Very high	96.7	Very high	59 Å²	59	32.7 Å²	32.7	41%	0.413	17%	0.173	S	C	.	.			trans	-77.6	128.6	175.8	57	0	0	0	0	109.9	V335 Q336 K339 T343	V335-S341 CarbonylContact C-O 3.49Å; V335-S341 VanDerWaalsContact CA-O 3.32Å; V335-S341 WeakPolarHBondContact CA-O 3.45Å; Q336-S341 PolarHBondContact N-O 3.19Å; K339-S341 PolarHBondContact O-N 3.12Å; S341-T343 PolarHBondContact O-N 3.25Å
342	V	97.1	Very high	96.7	Very high	64 Å²	64	31.3 Å²	31.3	39%	0.388	17%	0.168	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-53.2	124.8	176.5	-180	0	0	0	0	110.7	F328 L333 V335 P345	F328-V342 HydrophobicContact CE2-CG2 3.86Å; F328-V342 HydrophobicContact CZ-CG2 3.93Å; L333-V342 HydrophobicContact CB-CG1 4.37Å; L333-V342 HydrophobicContact CD1-CG1 4.11Å; L333-V342 HydrophobicContact CD1-CG2 4.15Å; V335-V342 HydrophobicContact CG1-CG2 4.3Å; V342-P345 HydrophobicContact CG1-CB 4.32Å
343	T	95.8	Very high	96.8	Very high	54 Å²	54	31.4 Å²	31.4	33%	0.331	17%	0.168	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	-40.2	175.8	54.3	0	0	0	0	111.2	D285 W334 Q336 S341	D285-T343 WeakPolarHBondContact OD1-CB 3.18Å; D285-T343 VanDerWaalsContact OD1-CG2 3.27Å; D285-T343 WeakPolarHBondContact OD1-CG2 3.37Å; D285-T343 PolarHBondContact OD1-OG1 3.25Å; W334-T343 PolarHBondContact O-N 2.76Å; W334-T343 PolarHBondContact O-OG1 3.24Å; Q336-T343 HydrophobicContact CB-CG2 3.83Å; S341-T343 PolarHBondContact O-N 3.25Å
344	M	93.4	Very high	96.9	Very high	62 Å²	62	30.6 Å²	30.6	31%	0.305	16%	0.164	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	115.7	175.5	-56.9	-179	-71.7	0	0	111	W334 V346	W334-M344 HydrophobicContact CB-CB 4.08Å; W334-M344 HydrophobicContact CB-CE 3.96Å; W334-M344 HydrophobicContact CD2-CE 3.79Å; W334-M344 HydrophobicContact CE3-CE 3.65Å; W334-M344 HydrophobicContact CG-CE 3.92Å; W334-M344 HydrophobicContact CZ3-CE 4.42Å; W334-M344 PolarHBondContact N-O 3.24Å; W334-M344 PolarHBondContact O-N 3.23Å; M344-V346 HydrophobicContact CB-CG1 4.45Å; M344-V346 HydrophobicContact CB-CG2 3.89Å; M344-V346 PolarHBondContact O-N 2.9Å
345	P	95.5	Very high	96.9	Very high	47 Å²	47	30.1 Å²	30.1	31%	0.305	16%	0.162	S	C	.	.			trans	-83.6	60.9	175.6	35.5	-35.3	0	0	0	110.7	L333 V342 I390 T391	L333-P345 HydrophobicContact CD1-CB 4.31Å; V342-P345 HydrophobicContact CG1-CB 4.32Å; P345-I390 PolarHBondContact O-N 2.77Å; P345-T391 HydrophobicContact CB-CG2 4.06Å; P345-T391 HydrophobicContact CG-CG2 4.01Å
346	V	96	Very high	96.8	Very high	14 Å²	14	30.1 Å²	30.1	9%	0.085	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	151.2	-177.7	-58.8	0	0	0	0	110.6	M344 F387 Y388 V396	M344-V346 HydrophobicContact CB-CG1 4.45Å; M344-V346 HydrophobicContact CB-CG2 3.89Å; M344-V346 PolarHBondContact O-N 2.9Å; V346-F387 HydrophobicContact CB-CD2 4.42Å; V346-F387 HydrophobicContact CG2-CD2 4.01Å; V346-F387 HydrophobicContact CG2-CE2 4.35Å; V346-Y388 CarbonylContact C-O 3.48Å; V346-Y388 VanDerWaalsContact CA-O 3.24Å; V346-Y388 WeakPolarHBondContact CA-O 3.41Å; V346-V396 HydrophobicContact CG1-CG2 4.23Å
347	F	96.5	Very high	96.8	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	132.3	162.7	159.3	-111.2	0	0	0	108.4	W331 E351 A352 Y374 L384 F387 Y388 I390	W331-F347 HydrophobicContact CE3-CB 3.68Å; W331-F347 HydrophobicContact CE3-CD2 4.39Å; W331-F347 HydrophobicContact CE3-CG 4.14Å; W331-F347 HydrophobicContact CZ3-CB 3.45Å; W331-F347 VanDerWaalsContact CZ3-CB 3.45Å; W331-F347 HydrophobicContact CZ3-CD1 4.04Å; W331-F347 HydrophobicContact CZ3-CD2 4.09Å; W331-F347 AromaticContact CZ3-CG 3.6Å; W331-F347 HydrophobicContact CZ3-CG 3.6Å; F347-E351 HydrophobicContact CD2-CB 4.01Å; F347-E351 WeakPolarHBondContact CD2-OE2 3.33Å; F347-E351 HydrophobicContact CE2-CB 3.83Å; F347-A352 HydrophobicContact CZ-CB 4.29Å; F347-Y374 HydrophobicContact CD1-CD1 4.48Å; F347-Y374 AromaticContact CD2-CD1 3.74Å; F347-Y374 HydrophobicContact CD2-CD1 3.74Å; F347-Y374 AromaticContact CD2-CE1 3.25Å; F347-Y374 HydrophobicContact CD2-CE1 3.25Å; F347-Y374 AromaticContact CD2-CZ 3.72Å; F347-Y374 HydrophobicContact CE1-CD1 4.18Å; F347-Y374 AromaticContact CE2-CD1 3.34Å; F347-Y374 HydrophobicContact CE2-CD1 3.34Å; F347-Y374 AromaticContact CE2-CD2 3.99Å; F347-Y374 HydrophobicContact CE2-CD2 3.99Å; F347-Y374 AromaticContact CE2-CE1 3.14Å; F347-Y374 HydrophobicContact CE2-CE1 3.14Å; F347-Y374 AromaticContact CE2-CE2 3.8Å; F347-Y374 HydrophobicContact CE2-CE2 3.8Å; F347-Y374 AromaticContact CE2-CG 3.78Å; F347-Y374 HydrophobicContact CE2-CG 3.78Å; F347-Y374 AromaticContact CE2-CZ 3.38Å; F347-Y374 HydrophobicContact CG-CD1 4.29Å; F347-Y374 HydrophobicContact CG-CE1 4.07Å; F347-Y374 AromaticContact CZ-CD1 3.59Å; F347-Y374 HydrophobicContact CZ-CD1 3.59Å; F347-Y374 HydrophobicContact CZ-CD2 4.22Å; F347-Y374 AromaticContact CZ-CE1 3.91Å; F347-Y374 HydrophobicContact CZ-CE1 3.91Å; F347-Y374 HydrophobicContact CZ-CE2 4.47Å; F347-Y374 AromaticContact CZ-CG 3.76Å; F347-Y374 HydrophobicContact CZ-CG 3.76Å; F347-L384 HydrophobicContact CE1-CD1 4.3Å; F347-L384 HydrophobicContact CE1-CD2 4.18Å; F347-L384 HydrophobicContact CZ-CD1 4Å; F347-F387 WeakPolarHBondContact O-CA 2.99Å; F347-Y388 PolarHBondContact N-O 3.1Å; F347-Y388 PolarHBondContact O-N 3.12Å; F347-I390 HydrophobicContact CB-CD1 4.2Å; F347-I390 HydrophobicContact CB-CG1 4.31Å
348	Q	96.3	Very high	96.6	Very high	6 Å²	6	29 Å²	29	3%	0.028	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	141.5	169.9	-63.7	174.9	-17.7	0	0	110.8	L350 E351 E386 F387	Q348-L350 PolarHBondContact O-N 2.99Å; Q348-L350 VanDerWaalsContact O-N 3.1Å; Q348-E351 HydrophobicContact CB-CG 4.1Å; Q348-E351 PolarHBondContact N-OE1 3.21Å; Q348-E351 VanDerWaalsContact O-CB 3.28Å; Q348-E351 WeakPolarHBondContact O-CB 3.25Å; Q348-E351 WeakPolarHBondContact O-CG 3.1Å; Q348-E351 PolarHBondContact O-N 2.99Å; Q348-E386 WeakPolarHBondContact CA-O 3.41Å; Q348-F387 HydrophobicContact CG-CD1 4.15Å; Q348-F387 HydrophobicContact CG-CD2 4.38Å; Q348-F387 HydrophobicContact CG-CE1 3.97Å; Q348-F387 HydrophobicContact CG-CE2 4.26Å; Q348-F387 HydrophobicContact CG-CG 4.31Å; Q348-F387 HydrophobicContact CG-CZ 4.05Å
349	S	96.4	Very high	96.4	Very high	0 Å²	0	25 Å²	25	0%	0	14%	0.139	C	C	.	.	G	3₁₀ helix	trans	-53.6	-35.8	-179.3	53.8	0	0	0	0	113.3	E351 A352 P385 E386 R405	S349-E351 PolarHBondContact O-N 2.82Å; S349-A352 VanDerWaalsContact O-CB 3.23Å; S349-A352 WeakPolarHBondContact O-CB 3.47Å; S349-A352 PolarHBondContact O-N 2.9Å; S349-A352 VanDerWaalsContact O-N 3.15Å; S349-P385 WeakPolarHBondContact CB-O 3.26Å; S349-E386 PolarHBondContact N-O 2.91Å; S349-E386 PolarHBondContact OG-OE1 3.43Å; S349-R405 VanDerWaalsContact OG-CD 3.25Å; S349-R405 WeakPolarHBondContact OG-CD 3.47Å; S349-R405 PolarHBondContact OG-NE 3.34Å
350	L	96.8	Very high	96	Very high	26 Å²	26	17.7 Å²	17.7	14%	0.136	11%	0.108	C	C	.	.	G	3₁₀ helix	trans	-60.9	-31	178.4	-68.1	92.5	0	0	0	111.9	A290 D293 Q348 A352 F353	A290-L350 HydrophobicContact CB-CD1 4.11Å; A290-L350 HydrophobicContact CB-CD2 4.36Å; D293-L350 WeakPolarHBondContact OD2-CD2 3.46Å; Q348-L350 PolarHBondContact O-N 2.99Å; Q348-L350 VanDerWaalsContact O-N 3.1Å; L350-A352 PolarHBondContact O-N 2.87Å; L350-F353 VanDerWaalsContact O-CD1 3.23Å; L350-F353 WeakPolarHBondContact O-CD1 3.41Å; L350-F353 PolarHBondContact O-N 3.23Å
351	E	97.1	Very high	95.7	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	11%	0.113	C	C	.	.	G	3₁₀ helix	trans	-61.7	-11.8	179.3	-57.4	172.8	-165.1	0	0	113.2	I288 G289 W334 F347 Q348 S349 F353 W354	I288-E351 HydrophobicContact CD1-CB 4.22Å; I288-E351 HydrophobicContact CG1-CB 4.18Å; I288-E351 HydrophobicContact CG1-CG 3.96Å; G289-E351 VanDerWaalsContact CA-CG 3.41Å; W334-E351 PolarHBondContact NE1-OE1 2.88Å; W334-E351 VanDerWaalsContact NE1-OE1 3.08Å; F347-E351 HydrophobicContact CD2-CB 4.01Å; F347-E351 WeakPolarHBondContact CD2-OE2 3.33Å; F347-E351 HydrophobicContact CE2-CB 3.83Å; Q348-E351 HydrophobicContact CB-CG 4.1Å; Q348-E351 PolarHBondContact N-OE1 3.21Å; Q348-E351 VanDerWaalsContact O-CB 3.28Å; Q348-E351 WeakPolarHBondContact O-CB 3.25Å; Q348-E351 WeakPolarHBondContact O-CG 3.1Å; Q348-E351 PolarHBondContact O-N 2.99Å; S349-E351 PolarHBondContact O-N 2.82Å; E351-F353 PolarHBondContact O-N 3.11Å; E351-F353 VanDerWaalsContact O-N 3.1Å; E351-W354 VanDerWaalsContact O-CB 3.29Å; E351-W354 WeakPolarHBondContact O-CB 3.25Å; E351-W354 PolarHBondContact O-N 3.11Å; E351-W354 VanDerWaalsContact O-N 3.1Å
352	A	98.3	Very high	95.3	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	12%	0.117	C	C	.	.	G	3₁₀ helix	trans	-67.2	-4.8	-179.9	0	0	0	0	0	114.8	F347 S349 L350 W354 P355 Y374 L384 E407 L408 S411	F347-A352 HydrophobicContact CZ-CB 4.29Å; S349-A352 VanDerWaalsContact O-CB 3.23Å; S349-A352 WeakPolarHBondContact O-CB 3.47Å; S349-A352 PolarHBondContact O-N 2.9Å; S349-A352 VanDerWaalsContact O-N 3.15Å; L350-A352 PolarHBondContact O-N 2.87Å; A352-W354 VanDerWaalsContact C-N 3.31Å; A352-P355 WeakPolarHBondContact O-CD 3.41Å; A352-Y374 HydrophobicContact CB-CD2 3.97Å; A352-Y374 HydrophobicContact CB-CE2 4.4Å; A352-L384 HydrophobicContact CB-CD1 3.73Å; A352-E407 CarbonylContact C-O 3.59Å; A352-E407 HydrophobicContact CB-CB 3.97Å; A352-E407 CarbonylContact O-C 3.59Å; A352-E407 VanDerWaalsContact O-O 3.04Å; A352-L408 HydrophobicContact CB-CB 3.88Å; A352-L408 HydrophobicContact CB-CD1 4.17Å; A352-S411 WeakPolarHBondContact O-CB 3.42Å; A352-S411 PolarHBondContact O-OG 2.84Å
353	F	98.1	Very high	95	Very high	2 Å²	2	19.1 Å²	19.1	1%	0.009	12%	0.117	C	C	.	.	G	3₁₀ helix	trans	-74.1	-25.7	170.5	81.8	-84.8	0	0	0	111.9	I288 D293 E297 L350 E351 G356 L357 E407 S411	I288-F353 VanDerWaalsContact O-CE1 3.31Å; I288-F353 WeakPolarHBondContact O-CE1 3.33Å; D293-F353 HydrophobicContact CB-CD1 4.19Å; D293-F353 HydrophobicContact CB-CE1 3.53Å; D293-F353 HydrophobicContact CB-CZ 4.04Å; E297-F353 HydrophobicContact CG-CD2 3.21Å; E297-F353 HydrophobicContact CG-CE2 3.13Å; E297-F353 HydrophobicContact CG-CG 4.18Å; E297-F353 HydrophobicContact CG-CZ 4.05Å; L350-F353 VanDerWaalsContact O-CD1 3.23Å; L350-F353 WeakPolarHBondContact O-CD1 3.41Å; L350-F353 PolarHBondContact O-N 3.23Å; E351-F353 PolarHBondContact O-N 3.11Å; E351-F353 VanDerWaalsContact O-N 3.1Å; F353-G356 WeakPolarHBondContact O-CA 3.36Å; F353-G356 PolarHBondContact O-N 3.19Å; F353-L357 HydrophobicContact CD2-CB 4.24Å; F353-L357 HydrophobicContact CE2-CB 4.33Å; F353-L357 HydrophobicContact CE2-CD2 3.91Å; F353-L357 PolarHBondContact O-N 3.13Å; F353-E407 HydrophobicContact CB-CB 4.18Å; F353-E407 HydrophobicContact CB-CG 4.41Å; F353-S411 PolarHBondContact O-OG 3.44Å
354	W	98.1	Very high	94.9	Very high	1 Å²	1	19.2 Å²	19.2	0%	0.004	12%	0.115	C	C	.	.	H	α-helix	trans	-60.1	-40.6	-168.3	-168	-102.8	0	0	0	114.1	I288 F296 F315 I322 Y332 E351 A352 G356 L357 Q358	I288-W354 HydrophobicContact CB-CD2 4.47Å; I288-W354 HydrophobicContact CB-CE3 4.06Å; I288-W354 HydrophobicContact CB-CZ3 4.28Å; I288-W354 HydrophobicContact CD1-CB 3.7Å; I288-W354 HydrophobicContact CD1-CD2 3.66Å; I288-W354 HydrophobicContact CD1-CE3 4.05Å; I288-W354 HydrophobicContact CD1-CG 3.49Å; I288-W354 VanDerWaalsContact CD1-CG 3.49Å; I288-W354 HydrophobicContact CG2-CD2 4.32Å; I288-W354 HydrophobicContact CG2-CE3 4.01Å; I288-W354 HydrophobicContact CG2-CH2 4.01Å; I288-W354 HydrophobicContact CG2-CZ2 4.3Å; I288-W354 HydrophobicContact CG2-CZ3 3.85Å; F296-W354 HydrophobicContact CB-CZ3 3.86Å; F296-W354 HydrophobicContact CD2-CH2 4.48Å; F296-W354 AromaticContact CD2-CZ3 3.93Å; F296-W354 HydrophobicContact CD2-CZ3 3.93Å; F296-W354 HydrophobicContact CG-CZ3 4.1Å; F315-W354 AromaticContact CE2-CH2 3.78Å; F315-W354 HydrophobicContact CE2-CH2 3.78Å; F315-W354 HydrophobicContact CE2-CZ3 4.19Å; F315-W354 AromaticContact CZ-CH2 3.94Å; F315-W354 HydrophobicContact CZ-CH2 3.94Å; F315-W354 HydrophobicContact CZ-CZ2 4.37Å; I322-W354 HydrophobicContact CD1-CH2 3.69Å; I322-W354 HydrophobicContact CD1-CZ2 4.23Å; I322-W354 HydrophobicContact CG2-CZ2 4.05Å; Y332-W354 AromaticContact CE1-NE1 3.5Å; Y332-W354 AromaticContact CE2-CD1 3.61Å; Y332-W354 AromaticContact CE2-NE1 3.86Å; Y332-W354 AromaticContact CZ-CD1 3.53Å; Y332-W354 AromaticContact CZ-NE1 3.28Å; Y332-W354 VanDerWaalsContact CZ-NE1 3.28Å; Y332-W354 PolarHBondContact OH-NE1 2.96Å; E351-W354 VanDerWaalsContact O-CB 3.29Å; E351-W354 WeakPolarHBondContact O-CB 3.25Å; E351-W354 PolarHBondContact O-N 3.11Å; E351-W354 VanDerWaalsContact O-N 3.1Å; A352-W354 VanDerWaalsContact C-N 3.31Å; W354-G356 VanDerWaalsContact C-N 3.29Å; W354-G356 PolarHBondContact O-N 3.07Å; W354-L357 HydrophobicContact CE3-CD2 4.04Å; W354-L357 HydrophobicContact CH2-CD2 4.5Å; W354-L357 HydrophobicContact CZ3-CD2 3.87Å; W354-L357 WeakPolarHBondContact O-CB 3.48Å; W354-L357 PolarHBondContact O-N 3.47Å; W354-Q358 VanDerWaalsContact NE1-NE2 3.15Å; W354-Q358 WeakPolarHBondContact O-CB 3.5Å; W354-Q358 WeakPolarHBondContact O-CG 3.11Å; W354-Q358 PolarHBondContact O-N 3.15Å
355	P	98.3	Very high	95	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-58.4	-39.6	172.6	-22.7	33.1	0	0	0	113	A352 Q358 S359 A367 T370 F371 Y374 S411 L415	A352-P355 WeakPolarHBondContact O-CD 3.41Å; P355-Q358 PolarHBondContact O-N 3.32Å; P355-S359 WeakPolarHBondContact O-CB 3.38Å; P355-S359 PolarHBondContact O-N 2.8Å; P355-A367 HydrophobicContact CB-CB 4.26Å; P355-A367 WeakPolarHBondContact O-CB 3.48Å; P355-T370 HydrophobicContact CG-CG2 3.85Å; P355-F371 HydrophobicContact CB-CB 4.18Å; P355-F371 HydrophobicContact CG-CB 4.31Å; P355-Y374 HydrophobicContact CG-CD2 4.06Å; P355-Y374 HydrophobicContact CG-CE2 3.94Å; P355-S411 WeakPolarHBondContact CD-OG 3.33Å; P355-L415 HydrophobicContact CB-CD1 4.02Å
356	G	95.9	Very high	95	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-58.6	-50.1	173	0	0	0	0	0	111.1	F353 W354 Q358 S359 L360 S411	F353-G356 WeakPolarHBondContact O-CA 3.36Å; F353-G356 PolarHBondContact O-N 3.19Å; W354-G356 VanDerWaalsContact C-N 3.29Å; W354-G356 PolarHBondContact O-N 3.07Å; G356-Q358 PolarHBondContact O-N 2.94Å; G356-S359 PolarHBondContact O-N 3.06Å; G356-S359 VanDerWaalsContact O-N 3.15Å; G356-S359 PolarHBondContact O-OG 3.22Å; G356-L360 PolarHBondContact O-N 3.33Å; G356-S411 PolarHBondContact N-OG 3.14Å
357	L	96.2	Very high	95	Very high	5 Å²	5	19.9 Å²	19.9	3%	0.026	12%	0.118	C	C	.	.	H	α-helix	trans	-59.4	-43.3	176	-165.1	67.4	0	0	0	112.9	F296 V300 F315 F353 W354 S359 L360 L361	F296-L357 HydrophobicContact CB-CD2 4.4Å; V300-L357 HydrophobicContact CB-CD1 3.59Å; V300-L357 HydrophobicContact CB-CG 4.39Å; V300-L357 HydrophobicContact CG1-CD1 3.78Å; V300-L357 HydrophobicContact CG2-CD1 3.83Å; V300-L357 HydrophobicContact CG2-CD2 4.1Å; V300-L357 HydrophobicContact CG2-CG 4.1Å; F315-L357 HydrophobicContact CE2-CD2 3.64Å; F315-L357 HydrophobicContact CZ-CD2 4.04Å; F353-L357 HydrophobicContact CD2-CB 4.24Å; F353-L357 HydrophobicContact CE2-CB 4.33Å; F353-L357 HydrophobicContact CE2-CD2 3.91Å; F353-L357 PolarHBondContact O-N 3.13Å; W354-L357 HydrophobicContact CE3-CD2 4.04Å; W354-L357 HydrophobicContact CH2-CD2 4.5Å; W354-L357 HydrophobicContact CZ3-CD2 3.87Å; W354-L357 WeakPolarHBondContact O-CB 3.48Å; W354-L357 PolarHBondContact O-N 3.47Å; L357-S359 VanDerWaalsContact C-N 3.31Å; L357-S359 PolarHBondContact O-N 2.69Å; L357-L360 HydrophobicContact CD1-CD1 4.44Å; L357-L360 WeakPolarHBondContact O-CB 3.23Å; L357-L360 PolarHBondContact O-N 2.75Å; L357-L361 PolarHBondContact O-N 3.2Å
358	Q	95.2	Very high	95.1	Very high	4 Å²	4	21.3 Å²	21.3	2%	0.019	13%	0.129	C	C	.	.	H	α-helix	trans	-63.1	-38.4	176.4	-74.4	-173.5	-37.2	0	0	112	Y332 W354 P355 G356 L361 G362 N363 S366 A367	Y332-Q358 PolarHBondContact OH-NE2 3.41Å; W354-Q358 VanDerWaalsContact NE1-NE2 3.15Å; W354-Q358 WeakPolarHBondContact O-CB 3.5Å; W354-Q358 WeakPolarHBondContact O-CG 3.11Å; W354-Q358 PolarHBondContact O-N 3.15Å; P355-Q358 PolarHBondContact O-N 3.32Å; G356-Q358 PolarHBondContact O-N 2.94Å; Q358-L361 PolarHBondContact O-N 2.99Å; Q358-L361 VanDerWaalsContact O-N 3.16Å; Q358-G362 PolarHBondContact O-N 3.42Å; Q358-N363 HydrophobicContact CB-CB 4.15Å; Q358-N363 WeakPolarHBondContact O-CB 3.27Å; Q358-N363 PolarHBondContact O-N 3.31Å; Q358-S366 PolarHBondContact NE2-OG 3.32Å; Q358-S366 PolarHBondContact OE1-OG 3.02Å; Q358-A367 HydrophobicContact CB-CB 3.74Å
359	S	92.9	Very high	95.2	Very high	2 Å²	2	26.4 Å²	26.4	1%	0.014	15%	0.148	C	C	.	.	H	α-helix	trans	-67.1	-36.8	177.7	75.8	0	0	0	0	112.4	P355 G356 L357 L361 G362 Y414	P355-S359 WeakPolarHBondContact O-CB 3.38Å; P355-S359 PolarHBondContact O-N 2.8Å; G356-S359 PolarHBondContact O-N 3.06Å; G356-S359 VanDerWaalsContact O-N 3.15Å; G356-S359 PolarHBondContact O-OG 3.22Å; L357-S359 VanDerWaalsContact C-N 3.31Å; L357-S359 PolarHBondContact O-N 2.69Å; S359-L361 PolarHBondContact O-N 3.47Å; S359-G362 PolarHBondContact O-N 3.48Å; S359-Y414 VanDerWaalsContact OG-CB 3.26Å; S359-Y414 WeakPolarHBondContact OG-CB 3.23Å
360	L	89.1	Confident	95.2	Very high	14 Å²	14	26.4 Å²	26.4	7%	0.073	15%	0.148	C	C	.	.	H	α-helix	trans	-59.1	-32.4	172.2	-70.6	175.1	0	0	0	111.6	K301 G356 L357 G362 Y414 G624	K301-L360 HydrophobicContact CG-CD1 4.5Å; G356-L360 PolarHBondContact O-N 3.33Å; L357-L360 HydrophobicContact CD1-CD1 4.44Å; L357-L360 WeakPolarHBondContact O-CB 3.23Å; L357-L360 PolarHBondContact O-N 2.75Å; L360-G362 VanDerWaalsContact C-N 3.32Å; L360-Y414 HydrophobicContact CD1-CE2 4.44Å; L360-Y414 HydrophobicContact CD2-CD1 3.78Å; L360-Y414 HydrophobicContact CD2-CE1 3.59Å; L360-Y414 HydrophobicContact CD2-CG 4.48Å; L360-Y414 HydrophobicContact CG-CD1 4.34Å; L360-Y414 HydrophobicContact CG-CE1 4.31Å; L360-G624 WeakPolarHBondContact O-CA 3.35Å; L360-G624 PolarHBondContact O-N 3.49Å
361	L	89.1	Confident	95.3	Very high	46 Å²	46	25.2 Å²	25.2	24%	0.241	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.5	4	178.4	-65	169.5	0	0	0	113.9	V300 L312 F315 L357 Q358 S359 N363	V300-L361 HydrophobicContact CG1-CD1 4.45Å; V300-L361 HydrophobicContact CG1-CD2 3.83Å; V300-L361 HydrophobicContact CG1-CG 4.06Å; V300-L361 HydrophobicContact CG2-CD1 4.1Å; V300-L361 HydrophobicContact CG2-CD2 4.47Å; L312-L361 HydrophobicContact CD1-CD2 3.98Å; F315-L361 HydrophobicContact CD1-CD1 3.85Å; F315-L361 HydrophobicContact CE1-CD1 3.14Å; F315-L361 HydrophobicContact CZ-CD1 3.69Å; L357-L361 PolarHBondContact O-N 3.2Å; Q358-L361 PolarHBondContact O-N 2.99Å; Q358-L361 VanDerWaalsContact O-N 3.16Å; S359-L361 PolarHBondContact O-N 3.47Å; L361-N363 VanDerWaalsContact C-N 3.31Å; L361-N363 PolarHBondContact O-N 2.92Å
362	G	88.4	Confident	95.4	Very high	48 Å²	48	28.9 Å²	28.9	50%	0.495	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	78.2	8.1	-177.5	0	0	0	0	0	114.9	Q358 S359 L360 L364	Q358-G362 PolarHBondContact O-N 3.42Å; S359-G362 PolarHBondContact O-N 3.48Å; L360-G362 VanDerWaalsContact C-N 3.32Å; G362-L364 PolarHBondContact O-N 2.86Å
363	N	92.6	Very high	95.3	Very high	71 Å²	71	30.8 Å²	30.8	38%	0.38	17%	0.169	S	C	.	.			trans	-82.7	52.4	179.3	-70.1	-24	0	0	0	112.1	Q358 L361 D365 S366 A367	Q358-N363 HydrophobicContact CB-CB 4.15Å; Q358-N363 WeakPolarHBondContact O-CB 3.27Å; Q358-N363 PolarHBondContact O-N 3.31Å; L361-N363 VanDerWaalsContact C-N 3.31Å; L361-N363 PolarHBondContact O-N 2.92Å; N363-D365 PolarHBondContact O-N 3.14Å; N363-S366 PolarHBondContact O-N 2.79Å; N363-A367 WeakPolarHBondContact O-CB 3.44Å; N363-A367 PolarHBondContact O-N 2.88Å
364	L	93.3	Very high	95.3	Very high	55 Å²	55	30.7 Å²	30.7	29%	0.288	17%	0.169	S	C	.	.	H	α-helix	trans	-60.9	-41	-167.9	-57.1	-179.5	0	0	0	113.7	G362 S366 A367 A368 A418 T419	G362-L364 PolarHBondContact O-N 2.86Å; L364-S366 PolarHBondContact O-N 2.87Å; L364-A367 PolarHBondContact O-N 2.9Å; L364-A368 WeakPolarHBondContact O-CB 3.34Å; L364-A368 PolarHBondContact O-N 2.98Å; L364-A418 HydrophobicContact CD1-CB 4.46Å; L364-A418 HydrophobicContact CD2-CB 3.59Å; L364-T419 HydrophobicContact CD1-CG2 4.3Å
365	D	94.9	Very high	95.4	Very high	126 Å²	126	31.2 Å²	31.2	67%	0.674	17%	0.171	S	C	*	.	H	α-helix	trans	-64.9	-41.5	-179.1	-72	-22	0	0	0	112.4	N363 R369	N363-D365 PolarHBondContact O-N 3.14Å; D365-R369 WeakPolarHBondContact O-CG 3.43Å; D365-R369 PolarHBondContact O-N 2.72Å; D365-R369 PolarHBondContact O-NH1 3.44Å; D365-R369 VanDerWaalsContact O-NH1 3.16Å
366	S	95.6	Very high	95.3	Very high	12 Å²	12	33.5 Å²	33.5	8%	0.084	19%	0.187	C	C	.	.	H	α-helix	trans	-69.1	-41.8	177.8	-173.2	0	0	0	0	111	R327 Q358 N363 L364 R369 T370	R327-S366 PolarHBondContact NH1-OG 3.46Å; R327-S366 PolarHBondContact NH2-OG 2.84Å; Q358-S366 PolarHBondContact NE2-OG 3.32Å; Q358-S366 PolarHBondContact OE1-OG 3.02Å; N363-S366 PolarHBondContact O-N 2.79Å; L364-S366 PolarHBondContact O-N 2.87Å; S366-R369 PolarHBondContact O-N 2.98Å; S366-T370 WeakPolarHBondContact O-CB 3.27Å; S366-T370 PolarHBondContact O-N 2.89Å; S366-T370 PolarHBondContact O-OG1 2.64Å
367	A	96.7	Very high	95.5	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-61.7	-46.9	177.8	0	0	0	0	0	111.2	P355 Q358 N363 L364 R369 T370 F371 L415	P355-A367 HydrophobicContact CB-CB 4.26Å; P355-A367 WeakPolarHBondContact O-CB 3.48Å; Q358-A367 HydrophobicContact CB-CB 3.74Å; N363-A367 WeakPolarHBondContact O-CB 3.44Å; N363-A367 PolarHBondContact O-N 2.88Å; L364-A367 PolarHBondContact O-N 2.9Å; A367-R369 PolarHBondContact O-N 3.04Å; A367-T370 PolarHBondContact O-N 3.09Å; A367-F371 VanDerWaalsContact O-CB 3.3Å; A367-F371 WeakPolarHBondContact O-CB 2.97Å; A367-F371 PolarHBondContact O-N 2.69Å; A367-L415 HydrophobicContact CB-CD2 3.73Å
368	A	97.8	Very high	95.6	Very high	29 Å²	29	33.4 Å²	33.4	24%	0.24	19%	0.186	C	C	.	.	H	α-helix	trans	-60	-45.5	178.9	0	0	0	0	0	112.2	L364 F371 Q372	L364-A368 WeakPolarHBondContact O-CB 3.34Å; L364-A368 PolarHBondContact O-N 2.98Å; A368-F371 PolarHBondContact O-N 3.14Å; A368-Q372 VanDerWaalsContact O-CG 3.31Å; A368-Q372 WeakPolarHBondContact O-CG 3.45Å; A368-Q372 PolarHBondContact O-N 3Å
369	R	97.9	Very high	95.7	Very high	114 Å²	114	41.3 Å²	41.3	43%	0.43	22%	0.216	S	C	.	.	H	α-helix	trans	-64	-44.5	178	-69.3	-169.7	-59.9	-84.9	2.4	112.6	D330 D365 S366 A367 F371 Q372 N373	D330-R369 HydrophobicContact CB-CB 4.18Å; D330-R369 IonicContact OD1-NE 2.71Å; D330-R369 VanDerWaalsContact OD2-CB 3.31Å; D330-R369 WeakPolarHBondContact OD2-CB 3.42Å; D330-R369 WeakPolarHBondContact OD2-CD 3.49Å; D330-R369 IonicContact OD2-NE 3.1Å; D330-R369 PolarHBondContact OD2-NE 2.87Å; D365-R369 WeakPolarHBondContact O-CG 3.43Å; D365-R369 PolarHBondContact O-N 2.72Å; D365-R369 PolarHBondContact O-NH1 3.44Å; D365-R369 VanDerWaalsContact O-NH1 3.16Å; S366-R369 PolarHBondContact O-N 2.98Å; A367-R369 PolarHBondContact O-N 3.04Å; R369-F371 VanDerWaalsContact C-N 3.35Å; R369-F371 PolarHBondContact O-N 3.16Å; R369-Q372 PolarHBondContact O-N 3.08Å; R369-N373 PolarHBondContact O-N 3.42Å
370	T	97.9	Very high	95.9	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-61.1	-45.1	176.3	-51.9	0	0	0	0	110.7	Y332 P355 S366 A367 Q372 N373 Y374	Y332-T370 HydrophobicContact CD2-CG2 4.31Å; Y332-T370 HydrophobicContact CE2-CG2 3.76Å; P355-T370 HydrophobicContact CG-CG2 3.85Å; S366-T370 WeakPolarHBondContact O-CB 3.27Å; S366-T370 PolarHBondContact O-N 2.89Å; S366-T370 PolarHBondContact O-OG1 2.64Å; A367-T370 PolarHBondContact O-N 3.09Å; T370-Q372 VanDerWaalsContact C-N 3.34Å; T370-Q372 PolarHBondContact O-N 2.98Å; T370-N373 WeakPolarHBondContact O-CB 3.45Å; T370-N373 PolarHBondContact O-N 3.33Å; T370-Y374 HydrophobicContact CG2-CD2 4.24Å; T370-Y374 HydrophobicContact CG2-CE1 4.16Å; T370-Y374 HydrophobicContact CG2-CE2 3.49Å; T370-Y374 VanDerWaalsContact CG2-CE2 3.49Å; T370-Y374 VanDerWaalsContact CG2-CZ 3.45Å; T370-Y374 PolarHBondContact O-N 3.1Å
371	F	98.6	Very high	96.3	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-59.3	-42.3	176.7	-175.1	-84.3	0	0	0	112.3	P355 A367 A368 R369 N373 Y374 Y375 L408 A412 L415 Y424 F427	P355-F371 HydrophobicContact CB-CB 4.18Å; P355-F371 HydrophobicContact CG-CB 4.31Å; A367-F371 VanDerWaalsContact O-CB 3.3Å; A367-F371 WeakPolarHBondContact O-CB 2.97Å; A367-F371 PolarHBondContact O-N 2.69Å; A368-F371 PolarHBondContact O-N 3.14Å; R369-F371 VanDerWaalsContact C-N 3.35Å; R369-F371 PolarHBondContact O-N 3.16Å; F371-N373 VanDerWaalsContact C-N 3.31Å; F371-N373 PolarHBondContact O-N 3.22Å; F371-Y374 PolarHBondContact O-N 3.1Å; F371-Y375 HydrophobicContact CE1-CD1 4.28Å; F371-Y375 HydrophobicContact CE1-CG 4.28Å; F371-Y375 WeakPolarHBondContact O-CB 3.48Å; F371-Y375 PolarHBondContact O-N 2.92Å; F371-L408 HydrophobicContact CD2-CD1 3.57Å; F371-L408 HydrophobicContact CE2-CD1 3.41Å; F371-L408 VanDerWaalsContact CE2-CD1 3.41Å; F371-L408 HydrophobicContact CE2-CG 3.92Å; F371-L408 HydrophobicContact CG-CD1 4.39Å; F371-L408 HydrophobicContact CZ-CD1 4.12Å; F371-L408 HydrophobicContact CZ-CG 4.34Å; F371-A412 HydrophobicContact CE2-CB 3.72Å; F371-A412 HydrophobicContact CZ-CB 3.82Å; F371-L415 HydrophobicContact CB-CD1 3.79Å; F371-L415 HydrophobicContact CD2-CD1 3.72Å; F371-L415 HydrophobicContact CG-CD1 3.85Å; F371-Y424 AromaticContact CD1-CD1 3.9Å; F371-Y424 HydrophobicContact CD1-CD1 3.9Å; F371-Y424 AromaticContact CD1-CE1 3.58Å; F371-Y424 HydrophobicContact CD1-CE1 3.58Å; F371-Y424 HydrophobicContact CD2-CD1 4.48Å; F371-Y424 HydrophobicContact CD2-CE1 4.34Å; F371-Y424 AromaticContact CE1-CD1 3.6Å; F371-Y424 HydrophobicContact CE1-CD1 3.6Å; F371-Y424 AromaticContact CE1-CE1 3.81Å; F371-Y424 HydrophobicContact CE1-CE1 3.81Å; F371-Y424 HydrophobicContact CE2-CD1 4.22Å; F371-Y424 HydrophobicContact CG-CD1 4.34Å; F371-Y424 AromaticContact CG-CE1 3.88Å; F371-Y424 HydrophobicContact CG-CE1 3.88Å; F371-Y424 AromaticContact CZ-CD1 3.78Å; F371-Y424 HydrophobicContact CZ-CD1 3.78Å; F371-Y424 HydrophobicContact CZ-CE1 4.28Å; F371-F427 HydrophobicContact CE1-CB 4.34Å; F371-F427 HydrophobicContact CE1-CG 4.39Å; F371-F427 HydrophobicContact CE2-CD1 4.43Å; F371-F427 HydrophobicContact CZ-CB 4.12Å; F371-F427 AromaticContact CZ-CD1 3.7Å; F371-F427 HydrophobicContact CZ-CD1 3.7Å; F371-F427 HydrophobicContact CZ-CD2 4.44Å; F371-F427 HydrophobicContact CZ-CE1 4.24Å; F371-F427 AromaticContact CZ-CG 3.79Å; F371-F427 HydrophobicContact CZ-CG 3.79Å
372	Q	98	Very high	96.6	Very high	78 Å²	78	43.9 Å²	43.9	36%	0.364	23%	0.227	S	C	.	.	H	α-helix	trans	-62.3	-37.8	178.4	-70.1	-58.8	-30.4	0	0	112.5	A368 R369 T370 S376	A368-Q372 VanDerWaalsContact O-CG 3.31Å; A368-Q372 WeakPolarHBondContact O-CG 3.45Å; A368-Q372 PolarHBondContact O-N 3Å; R369-Q372 PolarHBondContact O-N 3.08Å; T370-Q372 VanDerWaalsContact C-N 3.34Å; T370-Q372 PolarHBondContact O-N 2.98Å; Q372-S376 WeakPolarHBondContact O-CB 3.41Å; Q372-S376 PolarHBondContact O-N 3.12Å
373	N	97.7	Very high	97.1	Very high	39 Å²	39	41.6 Å²	41.6	21%	0.209	20%	0.203	C	C	.	.	H	α-helix	trans	-58.9	-48.9	172.8	-79.6	-14.6	0	0	0	110.7	D329 D330 W331 R369 T370 F371 S376 V377	D329-N373 PolarHBondContact O-ND2 2.75Å; D330-N373 PolarHBondContact O-ND2 3.05Å; W331-N373 HydrophobicContact CD2-CB 4.4Å; W331-N373 HydrophobicContact CH2-CB 3.87Å; W331-N373 HydrophobicContact CZ2-CB 3.62Å; W331-N373 HydrophobicContact CZ3-CB 4.34Å; W331-N373 PolarHBondContact NE1-ND2 3.06Å; R369-N373 PolarHBondContact O-N 3.42Å; T370-N373 WeakPolarHBondContact O-CB 3.45Å; T370-N373 PolarHBondContact O-N 3.33Å; F371-N373 VanDerWaalsContact C-N 3.31Å; F371-N373 PolarHBondContact O-N 3.22Å; N373-S376 WeakPolarHBondContact O-CB 3.37Å; N373-S376 PolarHBondContact O-N 2.91Å; N373-S376 PolarHBondContact O-OG 3.4Å; N373-V377 PolarHBondContact O-N 3.39Å
374	Y	98.3	Very high	97.3	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-69.1	-40.1	-178.7	-56.8	-17.6	0	0	0	112.5	W331 F347 A352 P355 T370 F371 S376 V377 W378 L384 L408	W331-Y374 HydrophobicContact CE3-CD1 4.31Å; W331-Y374 AromaticContact CE3-CE1 3.83Å; W331-Y374 HydrophobicContact CE3-CE1 3.83Å; W331-Y374 HydrophobicContact CH2-CD1 4.34Å; W331-Y374 AromaticContact CZ3-CD1 3.73Å; W331-Y374 HydrophobicContact CZ3-CD1 3.73Å; W331-Y374 AromaticContact CZ3-CE1 3.7Å; W331-Y374 HydrophobicContact CZ3-CE1 3.7Å; F347-Y374 HydrophobicContact CD1-CD1 4.48Å; F347-Y374 AromaticContact CD2-CD1 3.74Å; F347-Y374 HydrophobicContact CD2-CD1 3.74Å; F347-Y374 AromaticContact CD2-CE1 3.25Å; F347-Y374 HydrophobicContact CD2-CE1 3.25Å; F347-Y374 AromaticContact CD2-CZ 3.72Å; F347-Y374 HydrophobicContact CE1-CD1 4.18Å; F347-Y374 AromaticContact CE2-CD1 3.34Å; F347-Y374 HydrophobicContact CE2-CD1 3.34Å; F347-Y374 AromaticContact CE2-CD2 3.99Å; F347-Y374 HydrophobicContact CE2-CD2 3.99Å; F347-Y374 AromaticContact CE2-CE1 3.14Å; F347-Y374 HydrophobicContact CE2-CE1 3.14Å; F347-Y374 AromaticContact CE2-CE2 3.8Å; F347-Y374 HydrophobicContact CE2-CE2 3.8Å; F347-Y374 AromaticContact CE2-CG 3.78Å; F347-Y374 HydrophobicContact CE2-CG 3.78Å; F347-Y374 AromaticContact CE2-CZ 3.38Å; F347-Y374 HydrophobicContact CG-CD1 4.29Å; F347-Y374 HydrophobicContact CG-CE1 4.07Å; F347-Y374 AromaticContact CZ-CD1 3.59Å; F347-Y374 HydrophobicContact CZ-CD1 3.59Å; F347-Y374 HydrophobicContact CZ-CD2 4.22Å; F347-Y374 AromaticContact CZ-CE1 3.91Å; F347-Y374 HydrophobicContact CZ-CE1 3.91Å; F347-Y374 HydrophobicContact CZ-CE2 4.47Å; F347-Y374 AromaticContact CZ-CG 3.76Å; F347-Y374 HydrophobicContact CZ-CG 3.76Å; A352-Y374 HydrophobicContact CB-CD2 3.97Å; A352-Y374 HydrophobicContact CB-CE2 4.4Å; P355-Y374 HydrophobicContact CG-CD2 4.06Å; P355-Y374 HydrophobicContact CG-CE2 3.94Å; T370-Y374 HydrophobicContact CG2-CD2 4.24Å; T370-Y374 HydrophobicContact CG2-CE1 4.16Å; T370-Y374 HydrophobicContact CG2-CE2 3.49Å; T370-Y374 VanDerWaalsContact CG2-CE2 3.49Å; T370-Y374 VanDerWaalsContact CG2-CZ 3.45Å; T370-Y374 PolarHBondContact O-N 3.1Å; F371-Y374 PolarHBondContact O-N 3.1Å; Y374-S376 VanDerWaalsContact C-N 3.25Å; Y374-S376 PolarHBondContact O-N 3.01Å; Y374-V377 WeakPolarHBondContact O-CB 3.5Å; Y374-V377 PolarHBondContact O-N 3.22Å; Y374-V377 VanDerWaalsContact O-N 3.12Å; Y374-W378 PolarHBondContact O-N 3.41Å; Y374-L384 WeakPolarHBondContact O-CD2 3.36Å; Y374-L408 HydrophobicContact CD2-CD1 4.3Å
375	Y	98.4	Very high	97.6	Very high	12 Å²	12	35.8 Å²	35.8	5%	0.047	17%	0.173	C	C	.	.	H	α-helix	trans	-62.9	-33	174.6	-176.9	-154.6	0	0	0	111.9	F371 V377 W378 R379 F427 D430	F371-Y375 HydrophobicContact CE1-CD1 4.28Å; F371-Y375 HydrophobicContact CE1-CG 4.28Å; F371-Y375 WeakPolarHBondContact O-CB 3.48Å; F371-Y375 PolarHBondContact O-N 2.92Å; Y375-V377 VanDerWaalsContact C-N 3.3Å; Y375-V377 PolarHBondContact O-N 3.45Å; Y375-W378 HydrophobicContact CD2-CB 4.22Å; Y375-W378 WeakPolarHBondContact O-CB 3.44Å; Y375-W378 PolarHBondContact O-N 3.49Å; Y375-R379 HydrophobicContact CD2-CG 3.88Å; Y375-R379 HydrophobicContact CE2-CG 3.54Å; Y375-R379 WeakPolarHBondContact O-CG 3.28Å; Y375-R379 PolarHBondContact O-N 3.34Å; Y375-F427 HydrophobicContact CD2-CB 4.2Å; Y375-F427 AromaticContact CD2-CD2 3.43Å; Y375-F427 HydrophobicContact CD2-CD2 3.43Å; Y375-F427 VanDerWaalsContact CD2-CD2 3.43Å; Y375-F427 HydrophobicContact CD2-CE2 4.27Å; Y375-F427 HydrophobicContact CD2-CG 4.22Å; Y375-F427 HydrophobicContact CE1-CB 4.18Å; Y375-F427 HydrophobicContact CE2-CB 3.89Å; Y375-F427 AromaticContact CE2-CD2 3.59Å; Y375-F427 HydrophobicContact CE2-CD2 3.59Å; Y375-F427 HydrophobicContact CE2-CG 4.23Å; Y375-F427 HydrophobicContact CG-CD2 4.2Å; Y375-D430 PolarHBondContact OH-OD2 3.5Å
376	S	97.8	Very high	97.7	Very high	49 Å²	49	31.6 Å²	31.6	34%	0.343	15%	0.149	S	C	.	.	H	α-helix	trans	-61	-39.5	173.8	83.1	0	0	0	0	112.5	Q372 N373 Y374 R379 Q380	Q372-S376 WeakPolarHBondContact O-CB 3.41Å; Q372-S376 PolarHBondContact O-N 3.12Å; N373-S376 WeakPolarHBondContact O-CB 3.37Å; N373-S376 PolarHBondContact O-N 2.91Å; N373-S376 PolarHBondContact O-OG 3.4Å; Y374-S376 VanDerWaalsContact C-N 3.25Å; Y374-S376 PolarHBondContact O-N 3.01Å; S376-R379 PolarHBondContact O-N 3.49Å; S376-Q380 PolarHBondContact O-N 2.76Å
377	V	98.3	Very high	97.7	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-66.2	-44.2	174.8	-177.6	0	0	0	0	110.1	W331 N373 Y374 Y375 R379 Q380 F381 L384 P385 Y388	W331-V377 HydrophobicContact CH2-CG2 3.95Å; N373-V377 PolarHBondContact O-N 3.39Å; Y374-V377 WeakPolarHBondContact O-CB 3.5Å; Y374-V377 PolarHBondContact O-N 3.22Å; Y374-V377 VanDerWaalsContact O-N 3.12Å; Y375-V377 VanDerWaalsContact C-N 3.3Å; Y375-V377 PolarHBondContact O-N 3.45Å; V377-R379 VanDerWaalsContact C-N 3.33Å; V377-R379 PolarHBondContact O-N 2.96Å; V377-Q380 WeakPolarHBondContact O-CB 3.38Å; V377-Q380 PolarHBondContact O-N 2.79Å; V377-Q380 VanDerWaalsContact O-N 3.09Å; V377-F381 HydrophobicContact CG1-CD2 3.99Å; V377-F381 HydrophobicContact CG1-CE2 4.27Å; V377-F381 WeakPolarHBondContact O-CD2 3.37Å; V377-F381 PolarHBondContact O-N 3.03Å; V377-L384 HydrophobicContact CB-CD2 4.04Å; V377-L384 HydrophobicContact CG1-CD2 4.11Å; V377-P385 HydrophobicContact CG1-CG 4.25Å; V377-Y388 HydrophobicContact CG1-CD2 3.87Å; V377-Y388 HydrophobicContact CG1-CE2 4.19Å; V377-Y388 HydrophobicContact CG1-CG 4.21Å; V377-Y388 HydrophobicContact CG2-CD1 3.98Å; V377-Y388 HydrophobicContact CG2-CD2 4.25Å; V377-Y388 HydrophobicContact CG2-CE1 3.85Å; V377-Y388 HydrophobicContact CG2-CE2 4.13Å; V377-Y388 HydrophobicContact CG2-CG 4.15Å
378	W	98.4	Very high	97.8	Very high	3 Å²	3	33.9 Å²	33.9	1%	0.011	16%	0.157	C	C	.	.	H	α-helix	trans	-56.4	-47.3	175.1	-171.2	-73.3	0	0	0	111.8	Y374 Y375 Q380 F381 G382 L384 Y402 L408 M409 F427 A431	Y374-W378 PolarHBondContact O-N 3.41Å; Y375-W378 HydrophobicContact CD2-CB 4.22Å; Y375-W378 WeakPolarHBondContact O-CB 3.44Å; Y375-W378 PolarHBondContact O-N 3.49Å; W378-Q380 PolarHBondContact O-N 2.78Å; W378-F381 PolarHBondContact O-N 2.93Å; W378-G382 WeakPolarHBondContact O-CA 3.41Å; W378-G382 PolarHBondContact O-N 3.15Å; W378-L384 HydrophobicContact CB-CD2 4.21Å; W378-L384 HydrophobicContact CE3-CD2 4.26Å; W378-L384 HydrophobicContact CE3-CG 3.91Å; W378-L384 HydrophobicContact CZ3-CG 4.39Å; W378-Y402 HydrophobicContact CH2-CE1 4.36Å; W378-Y402 HydrophobicContact CH2-CE2 4.35Å; W378-Y402 AromaticContact CH2-CZ 3.78Å; W378-Y402 WeakPolarHBondContact CH2-OH 3.47Å; W378-Y402 HydrophobicContact CZ3-CE2 4.22Å; W378-L408 HydrophobicContact CB-CD2 4.41Å; W378-L408 HydrophobicContact CE3-CD2 4.02Å; W378-M409 HydrophobicContact CH2-CE 3.33Å; W378-M409 HydrophobicContact CH2-SD 4.45Å; W378-M409 HydrophobicContact CZ2-CE 4.27Å; W378-M409 HydrophobicContact CZ3-CE 3.76Å; W378-M409 HydrophobicContact CZ3-SD 4.34Å; W378-F427 HydrophobicContact CB-CE2 4.36Å; W378-F427 AromaticContact CD2-CE2 3.68Å; W378-F427 HydrophobicContact CD2-CE2 3.68Å; W378-F427 HydrophobicContact CD2-CZ 4.39Å; W378-F427 AromaticContact CE3-CE2 3.86Å; W378-F427 HydrophobicContact CE3-CE2 3.86Å; W378-F427 HydrophobicContact CE3-CZ 4.19Å; W378-F427 HydrophobicContact CG-CD2 4.46Å; W378-F427 AromaticContact CG-CE2 3.86Å; W378-F427 HydrophobicContact CG-CE2 3.86Å; W378-F427 HydrophobicContact CZ3-CE2 4.5Å; W378-F427 HydrophobicContact CZ3-CZ 4.44Å; W378-A431 HydrophobicContact CH2-CB 4.12Å; W378-A431 VanDerWaalsContact CZ2-CA 3.49Å; W378-A431 HydrophobicContact CZ2-CB 3.59Å
379	R	97.6	Very high	97.8	Very high	170 Å²	170	32.9 Å²	32.9	64%	0.642	15%	0.149	S	C	*	.	H	α-helix	trans	-63	-27	179.2	-70.3	-161	-61.1	175.2	-2.2	113.1	Y375 S376 V377	Y375-R379 HydrophobicContact CD2-CG 3.88Å; Y375-R379 HydrophobicContact CE2-CG 3.54Å; Y375-R379 WeakPolarHBondContact O-CG 3.28Å; Y375-R379 PolarHBondContact O-N 3.34Å; S376-R379 PolarHBondContact O-N 3.49Å; V377-R379 VanDerWaalsContact C-N 3.33Å; V377-R379 PolarHBondContact O-N 2.96Å
380	Q	97.3	Very high	97.7	Very high	93 Å²	93	29.6 Å²	29.6	44%	0.435	14%	0.139	S	C	.	.	H	α-helix	trans	-72.9	-40.1	177.3	-174.6	176.7	-0.7	0	0	112.2	S376 V377 W378 G393	S376-Q380 PolarHBondContact O-N 2.76Å; V377-Q380 WeakPolarHBondContact O-CB 3.38Å; V377-Q380 PolarHBondContact O-N 2.79Å; V377-Q380 VanDerWaalsContact O-N 3.09Å; W378-Q380 PolarHBondContact O-N 2.78Å; Q380-G393 PolarHBondContact NE2-O 3.31Å
381	F	97.6	Very high	97.5	Very high	17 Å²	17	34.6 Å²	34.6	8%	0.075	17%	0.17	C	C	.	.	H	α-helix	trans	-116.7	-18.6	-167.9	-64.5	-69.9	0	0	0	115.4	V377 W378 G383 Y388 Y394 T395 L451 H454	V377-F381 HydrophobicContact CG1-CD2 3.99Å; V377-F381 HydrophobicContact CG1-CE2 4.27Å; V377-F381 WeakPolarHBondContact O-CD2 3.37Å; V377-F381 PolarHBondContact O-N 3.03Å; W378-F381 PolarHBondContact O-N 2.93Å; F381-G383 VanDerWaalsContact C-N 3.34Å; F381-Y388 HydrophobicContact CE2-CD2 4.16Å; F381-Y388 AromaticContact CE2-CE2 3.98Å; F381-Y388 HydrophobicContact CE2-CE2 3.98Å; F381-Y394 HydrophobicContact CE1-CD2 4.27Å; F381-Y394 AromaticContact CE1-CE2 3.89Å; F381-Y394 HydrophobicContact CE1-CE2 3.89Å; F381-Y394 AromaticContact CZ-CD2 3.86Å; F381-Y394 HydrophobicContact CZ-CD2 3.86Å; F381-Y394 AromaticContact CZ-CE2 3.97Å; F381-Y394 HydrophobicContact CZ-CE2 3.97Å; F381-T395 HydrophobicContact CD1-CG2 4.3Å; F381-T395 HydrophobicContact CE1-CG2 3.8Å; F381-T395 HydrophobicContact CE2-CG2 4.15Å; F381-T395 HydrophobicContact CZ-CG2 3.72Å; F381-L451 HydrophobicContact CB-CB 4.11Å; F381-L451 HydrophobicContact CB-CD1 4.05Å; F381-L451 HydrophobicContact CB-CD2 4.44Å; F381-L451 HydrophobicContact CB-CG 4.47Å; F381-L451 HydrophobicContact CD1-CB 4.39Å; F381-L451 HydrophobicContact CG-CB 4.46Å; F381-H454 PolarHBondContact O-NE2 3.42Å
382	G	96.7	Very high	97.3	Very high	5 Å²	5	41.6 Å²	41.6	5%	0.052	20%	0.202	C	C	.	.	S	Bend	trans	81	13	-169.2	0	0	0	0	0	114.1	W378 S434 I438	W378-G382 WeakPolarHBondContact O-CA 3.41Å; W378-G382 PolarHBondContact O-N 3.15Å; G382-S434 WeakPolarHBondContact O-CB 3.48Å; G382-I438 WeakPolarHBondContact O-CD1 3.4Å
383	G	97.4	Very high	97.3	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	20%	0.197	C	C	.	.	S	Bend	trans	-177.2	171.4	179.2	0	0	0	0	0	109.7	F381	F381-G383 VanDerWaalsContact C-N 3.34Å
384	L	98.1	Very high	97.2	Very high	4 Å²	4	41.9 Å²	41.9	2%	0.021	21%	0.206	C	C	.	.			trans	-95.3	121.8	173.5	-59.3	-179.5	0	0	0	109.4	F347 A352 Y374 V377 W378 Y402 L408	F347-L384 HydrophobicContact CE1-CD1 4.3Å; F347-L384 HydrophobicContact CE1-CD2 4.18Å; F347-L384 HydrophobicContact CZ-CD1 4Å; A352-L384 HydrophobicContact CB-CD1 3.73Å; Y374-L384 WeakPolarHBondContact O-CD2 3.36Å; V377-L384 HydrophobicContact CB-CD2 4.04Å; V377-L384 HydrophobicContact CG1-CD2 4.11Å; W378-L384 HydrophobicContact CB-CD2 4.21Å; W378-L384 HydrophobicContact CE3-CD2 4.26Å; W378-L384 HydrophobicContact CE3-CG 3.91Å; W378-L384 HydrophobicContact CZ3-CG 4.39Å; L384-Y402 WeakPolarHBondContact O-CD2 3.48Å; L384-L408 HydrophobicContact CD1-CB 3.98Å; L384-L408 HydrophobicContact CD1-CD2 4.06Å; L384-L408 HydrophobicContact CD2-CD2 4.26Å; L384-L408 HydrophobicContact CG-CD2 4.41Å
385	P	97.9	Very high	97.1	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	21%	0.207	C	C	.	.			trans	-65.7	148.4	171.8	30	-35.3	0	0	0	109.4	S349 V377 F387 Y388 T395 G401 L451	S349-P385 WeakPolarHBondContact CB-O 3.26Å; V377-P385 HydrophobicContact CG1-CG 4.25Å; P385-F387 PolarHBondContact O-N 3.28Å; P385-F387 VanDerWaalsContact O-N 3.11Å; P385-Y388 HydrophobicContact CG-CD2 4.37Å; P385-T395 HydrophobicContact CB-CG2 3.83Å; P385-T395 HydrophobicContact CG-CG2 4.04Å; P385-G401 CarbonylContact C-O 3.53Å; P385-G401 WeakPolarHBondContact CA-O 3.33Å; P385-L451 HydrophobicContact CB-CD1 3.9Å; P385-L451 HydrophobicContact CG-CD1 4.44Å; P385-L451 VanDerWaalsContact N-CD1 3.26Å
386	E	97.1	Very high	97	Very high	38 Å²	38	43.7 Å²	43.7	18%	0.178	22%	0.218	C	C	.	.	S	Bend	trans	-49.5	-41.6	174.5	-72.3	-66.5	115.1	0	0	111.2	Q348 S349 R399 G401 P403 R405	Q348-E386 WeakPolarHBondContact CA-O 3.41Å; S349-E386 PolarHBondContact N-O 2.91Å; S349-E386 PolarHBondContact OG-OE1 3.43Å; E386-R399 HydrophobicContact CB-CB 4.36Å; E386-R399 PolarHBondContact N-O 3.06Å; E386-G401 PolarHBondContact N-O 3.05Å; E386-P403 WeakPolarHBondContact OE1-CD 3.49Å; E386-P403 WeakPolarHBondContact OE1-CG 2.95Å; E386-R405 IonicContact OE1-CZ 3.15Å; E386-R405 IonicContact OE1-NE 3.39Å; E386-R405 PolarHBondContact OE1-NE 3.1Å; E386-R405 IonicContact OE1-NH2 3.07Å; E386-R405 PolarHBondContact OE1-NH2 3.16Å; E386-R405 VanDerWaalsContact OE1-NH2 3.1Å; E386-R405 IonicContact OE2-CZ 3.18Å; E386-R405 IonicContact OE2-NE 3.19Å; E386-R405 IonicContact OE2-NH2 3.32Å; E386-R405 PolarHBondContact OE2-NH2 3.37Å
387	F	97.4	Very high	96.8	Very high	40 Å²	40	46.6 Å²	46.6	18%	0.175	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	128	173.5	-72.4	51.5	0	0	0	111.1	V346 F347 Q348 P385 V396 R399	V346-F387 HydrophobicContact CB-CD2 4.42Å; V346-F387 HydrophobicContact CG2-CD2 4.01Å; V346-F387 HydrophobicContact CG2-CE2 4.35Å; F347-F387 WeakPolarHBondContact O-CA 2.99Å; Q348-F387 HydrophobicContact CG-CD1 4.15Å; Q348-F387 HydrophobicContact CG-CD2 4.38Å; Q348-F387 HydrophobicContact CG-CE1 3.97Å; Q348-F387 HydrophobicContact CG-CE2 4.26Å; Q348-F387 HydrophobicContact CG-CG 4.31Å; Q348-F387 HydrophobicContact CG-CZ 4.05Å; P385-F387 PolarHBondContact O-N 3.28Å; P385-F387 VanDerWaalsContact O-N 3.11Å; F387-V396 HydrophobicContact CB-CB 3.77Å; F387-V396 HydrophobicContact CB-CG2 3.76Å; F387-V396 PolarHBondContact O-N 3.47Å; F387-R399 HydrophobicContact CB-CB 3.63Å; F387-R399 HydrophobicContact CB-CG 4.23Å; F387-R399 HydrophobicContact CD1-CB 3.81Å; F387-R399 HydrophobicContact CD1-CG 3.78Å; F387-R399 HydrophobicContact CE1-CG 4.31Å; F387-R399 HydrophobicContact CG-CB 3.87Å; F387-R399 HydrophobicContact CG-CG 3.95Å; F387-R399 PolarHBondContact N-O 2.9Å
388	Y	97.9	Very high	96.6	Very high	20 Å²	20	54.2 Å²	54.2	8%	0.078	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	122.5	172.2	-179.2	-103.6	0	0	0	110.1	W331 V346 F347 V377 F381 P385 I390 G393	W331-Y388 HydrophobicContact CH2-CD1 4.25Å; W331-Y388 HydrophobicContact CH2-CE1 4.13Å; V346-Y388 CarbonylContact C-O 3.48Å; V346-Y388 VanDerWaalsContact CA-O 3.24Å; V346-Y388 WeakPolarHBondContact CA-O 3.41Å; F347-Y388 PolarHBondContact N-O 3.1Å; F347-Y388 PolarHBondContact O-N 3.12Å; V377-Y388 HydrophobicContact CG1-CD2 3.87Å; V377-Y388 HydrophobicContact CG1-CE2 4.19Å; V377-Y388 HydrophobicContact CG1-CG 4.21Å; V377-Y388 HydrophobicContact CG2-CD1 3.98Å; V377-Y388 HydrophobicContact CG2-CD2 4.25Å; V377-Y388 HydrophobicContact CG2-CE1 3.85Å; V377-Y388 HydrophobicContact CG2-CE2 4.13Å; V377-Y388 HydrophobicContact CG2-CG 4.15Å; F381-Y388 HydrophobicContact CE2-CD2 4.16Å; F381-Y388 AromaticContact CE2-CE2 3.98Å; F381-Y388 HydrophobicContact CE2-CE2 3.98Å; P385-Y388 HydrophobicContact CG-CD2 4.37Å; Y388-I390 HydrophobicContact CD1-CG1 4.23Å; Y388-I390 PolarHBondContact O-N 2.61Å; Y388-G393 VanDerWaalsContact CE2-C 3.41Å; Y388-G393 WeakPolarHBondContact OH-CA 3.44Å
389	S	97.1	Very high	96.5	Very high	9 Å²	9	60.2 Å²	60.2	6%	0.063	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	110.9	173.5	178.8	0	0	0	0	109.9	T391 Q392 G393 Y394	S389-T391 VanDerWaalsContact C-N 3.28Å; S389-T391 PolarHBondContact O-N 2.85Å; S389-T391 PolarHBondContact OG-OG1 3.13Å; S389-T391 VanDerWaalsContact OG-OG1 3.09Å; S389-Q392 PolarHBondContact O-N 3.03Å; S389-Q392 WeakPolarHBondContact OG-CG 3.43Å; S389-Q392 PolarHBondContact OG-N 3.49Å; S389-G393 PolarHBondContact O-N 3.35Å; S389-Y394 PolarHBondContact N-O 2.82Å; S389-Y394 PolarHBondContact O-N 3.35Å
390	I	95.7	Very high	96.5	Very high	45 Å²	45	52.6 Å²	52.6	23%	0.231	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-37.7	-178.9	-65.1	159.7	0	0	0	110.5	W331 L333 P345 F347 Y388 Q392	W331-I390 HydrophobicContact CB-CD1 3.75Å; W331-I390 HydrophobicContact CD2-CD1 3.62Å; W331-I390 HydrophobicContact CD2-CG1 3.85Å; W331-I390 HydrophobicContact CD2-CG2 4.38Å; W331-I390 HydrophobicContact CE3-CD1 3.62Å; W331-I390 HydrophobicContact CE3-CG1 3.85Å; W331-I390 HydrophobicContact CG-CD1 3.71Å; W331-I390 HydrophobicContact CG-CG1 4.29Å; W331-I390 HydrophobicContact CG-CG2 4.31Å; W331-I390 HydrophobicContact CZ3-CD1 4.43Å; W331-I390 HydrophobicContact CZ3-CG1 4.24Å; L333-I390 HydrophobicContact CD2-CD1 3.23Å; P345-I390 PolarHBondContact O-N 2.77Å; F347-I390 HydrophobicContact CB-CD1 4.2Å; F347-I390 HydrophobicContact CB-CG1 4.31Å; Y388-I390 HydrophobicContact CD1-CG1 4.23Å; Y388-I390 PolarHBondContact O-N 2.61Å; I390-Q392 VanDerWaalsContact C-N 3.33Å; I390-Q392 PolarHBondContact O-N 3.01Å
391	T	94.6	Very high	96.5	Very high	104 Å²	104	48.9 Å²	48.9	64%	0.638	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.1	-31.6	178	50.7	0	0	0	0	113.8	P345 S389	P345-T391 HydrophobicContact CB-CG2 4.06Å; P345-T391 HydrophobicContact CG-CG2 4.01Å; S389-T391 VanDerWaalsContact C-N 3.28Å; S389-T391 PolarHBondContact O-N 2.85Å; S389-T391 PolarHBondContact OG-OG1 3.13Å; S389-T391 VanDerWaalsContact OG-OG1 3.09Å
392	Q	95.1	Very high	96.5	Very high	148 Å²	148	48.1 Å²	48.1	69%	0.692	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-97.2	-18	-177.2	-62.4	179.4	12.8	0	0	112.5	S389 I390 Y394	S389-Q392 PolarHBondContact O-N 3.03Å; S389-Q392 WeakPolarHBondContact OG-CG 3.43Å; S389-Q392 PolarHBondContact OG-N 3.49Å; I390-Q392 VanDerWaalsContact C-N 3.33Å; I390-Q392 PolarHBondContact O-N 3.01Å; Q392-Y394 VanDerWaalsContact C-N 3.31Å
393	G	96.3	Very high	96.5	Very high	25 Å²	25	48.8 Å²	48.8	26%	0.258	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	66.5	33.1	-174	0	0	0	0	0	112.9	Q380 Y388 S389	Q380-G393 PolarHBondContact NE2-O 3.31Å; Y388-G393 VanDerWaalsContact CE2-C 3.41Å; Y388-G393 WeakPolarHBondContact OH-CA 3.44Å; S389-G393 PolarHBondContact O-N 3.35Å
394	Y	97	Very high	96.6	Very high	97 Å²	97	48.8 Å²	48.8	38%	0.38	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.5	168.2	-170.7	-149.5	-111.5	0	0	0	113.5	F381 S389 Q392 R452	F381-Y394 HydrophobicContact CE1-CD2 4.27Å; F381-Y394 AromaticContact CE1-CE2 3.89Å; F381-Y394 HydrophobicContact CE1-CE2 3.89Å; F381-Y394 AromaticContact CZ-CD2 3.86Å; F381-Y394 HydrophobicContact CZ-CD2 3.86Å; F381-Y394 AromaticContact CZ-CE2 3.97Å; F381-Y394 HydrophobicContact CZ-CE2 3.97Å; S389-Y394 PolarHBondContact N-O 2.82Å; S389-Y394 PolarHBondContact O-N 3.35Å; Q392-Y394 VanDerWaalsContact C-N 3.31Å; Y394-R452 HydrophobicContact CE1-CG 4.2Å; Y394-R452 WeakPolarHBondContact OH-CD 3.46Å; Y394-R452 WeakPolarHBondContact OH-CG 3.24Å
395	T	95.3	Very high	96.5	Very high	6 Å²	6	50.7 Å²	50.7	4%	0.037	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.9	149.6	177.7	64.9	0	0	0	0	111.9	F381 P385 E400 R452	F381-T395 HydrophobicContact CD1-CG2 4.3Å; F381-T395 HydrophobicContact CE1-CG2 3.8Å; F381-T395 HydrophobicContact CE2-CG2 4.15Å; F381-T395 HydrophobicContact CZ-CG2 3.72Å; P385-T395 HydrophobicContact CB-CG2 3.83Å; P385-T395 HydrophobicContact CG-CG2 4.04Å; T395-E400 HydrophobicContact CG2-CB 4.44Å; T395-E400 HydrophobicContact CG2-CG 4.44Å; T395-E400 WeakPolarHBondContact OG1-CG 3.31Å; T395-R452 HydrophobicContact CG2-CG 4.46Å
396	V	95.8	Very high	96.6	Very high	44 Å²	44	50.8 Å²	50.8	27%	0.267	25%	0.251	S	S	.	.	P	Polyproline II helix	trans	-88.1	139.5	173.6	179.8	0	0	0	0	110.7	V346 F387 K398 R399 E400	V346-V396 HydrophobicContact CG1-CG2 4.23Å; F387-V396 HydrophobicContact CB-CB 3.77Å; F387-V396 HydrophobicContact CB-CG2 3.76Å; F387-V396 PolarHBondContact O-N 3.47Å; V396-K398 PolarHBondContact O-N 2.94Å; V396-R399 HydrophobicContact CB-CB 4.28Å; V396-R399 CarbonylContact O-C 3.5Å; V396-R399 PolarHBondContact O-N 3.49Å; V396-E400 VanDerWaalsContact O-CD 3.3Å; V396-E400 WeakPolarHBondContact O-CG 3.27Å
397	D	93.7	Very high	96.6	Very high	110 Å²	110	50.2 Å²	50.2	59%	0.588	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.3	130.4	178.9	-173.2	55.5	0	0	0	111.9	R399 E400	D397-R399 PolarHBondContact O-N 3.23Å; D397-E400 WeakPolarHBondContact CA-OE1 3.38Å
398	K	94.3	Very high	96.7	Very high	160 Å²	160	48.3 Å²	48.3	70%	0.696	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	65.9	17.5	-176.7	-52.8	168.6	-174.3	173.3	0	115.2	V396 E400	V396-K398 PolarHBondContact O-N 2.94Å; K398-E400 VanDerWaalsContact C-OE2 3.29Å; K398-E400 WeakPolarHBondContact CA-OE2 3.45Å; K398-E400 VanDerWaalsContact N-CD 3.29Å; K398-E400 PolarHBondContact N-OE1 2.97Å; K398-E400 PolarHBondContact N-OE2 3.45Å
399	R	96.6	Very high	96.7	Very high	129 Å²	129	47.4 Å²	47.4	49%	0.487	24%	0.237	S	C	.	.			trans	-140.5	28	178.4	-63.2	-66.5	-174.4	-111.5	9.9	111.2	E386 F387 V396 D397 G401	E386-R399 HydrophobicContact CB-CB 4.36Å; E386-R399 PolarHBondContact N-O 3.06Å; F387-R399 HydrophobicContact CB-CB 3.63Å; F387-R399 HydrophobicContact CB-CG 4.23Å; F387-R399 HydrophobicContact CD1-CB 3.81Å; F387-R399 HydrophobicContact CD1-CG 3.78Å; F387-R399 HydrophobicContact CE1-CG 4.31Å; F387-R399 HydrophobicContact CG-CB 3.87Å; F387-R399 HydrophobicContact CG-CG 3.95Å; F387-R399 PolarHBondContact N-O 2.9Å; V396-R399 HydrophobicContact CB-CB 4.28Å; V396-R399 CarbonylContact O-C 3.5Å; V396-R399 PolarHBondContact O-N 3.49Å; D397-R399 PolarHBondContact O-N 3.23Å; R399-G401 VanDerWaalsContact C-N 3.34Å
400	E	97.1	Very high	96.8	Very high	11 Å²	11	47.5 Å²	47.5	5%	0.051	24%	0.236	C	C	.	.			trans	-85.4	-7.1	-178.8	-52.4	92.9	150.4	0	0	113.6	T395 V396 D397 K398 D450 L451 R452	T395-E400 HydrophobicContact CG2-CB 4.44Å; T395-E400 HydrophobicContact CG2-CG 4.44Å; T395-E400 WeakPolarHBondContact OG1-CG 3.31Å; V396-E400 VanDerWaalsContact O-CD 3.3Å; V396-E400 WeakPolarHBondContact O-CG 3.27Å; D397-E400 WeakPolarHBondContact CA-OE1 3.38Å; K398-E400 VanDerWaalsContact C-OE2 3.29Å; K398-E400 WeakPolarHBondContact CA-OE2 3.45Å; K398-E400 VanDerWaalsContact N-CD 3.29Å; K398-E400 PolarHBondContact N-OE1 2.97Å; K398-E400 PolarHBondContact N-OE2 3.45Å; E400-D450 HydrophobicContact CB-CB 4.47Å; E400-L451 WeakPolarHBondContact O-CB 3.42Å; E400-L451 WeakPolarHBondContact O-CG 3.38Å; E400-L451 PolarHBondContact O-N 2.97Å; E400-L451 VanDerWaalsContact O-N 3.1Å; E400-R452 IonicContact OE1-CZ 2.79Å; E400-R452 IonicContact OE1-NH1 3.87Å; E400-R452 PolarHBondContact OE1-NH1 3.44Å; E400-R452 IonicContact OE1-NH2 3.37Å; E400-R452 PolarHBondContact OE1-NH2 3.2Å
401	G	97.4	Very high	96.9	Very high	14 Å²	14	45.3 Å²	45.3	14%	0.144	23%	0.225	C	C	.	.			trans	-69.4	158.8	-174.9	0	0	0	0	0	113.8	P385 E386 R399 V448 K449	P385-G401 CarbonylContact C-O 3.53Å; P385-G401 WeakPolarHBondContact CA-O 3.33Å; E386-G401 PolarHBondContact N-O 3.05Å; R399-G401 VanDerWaalsContact C-N 3.34Å; G401-V448 CarbonylContact C-O 3.55Å; G401-V448 WeakPolarHBondContact CA-O 3.27Å; G401-K449 WeakPolarHBondContact CA-O 3.1Å; G401-K449 PolarHBondContact N-O 2.81Å
402	Y	98.2	Very high	97.1	Very high	1 Å²	1	40.4 Å²	40.4	0%	0.004	20%	0.195	C	C	.	.	B	Isolated β-bridge	trans	-137.2	102.3	172.2	168.6	-115.9	0	0	0	108.9	W378 L384 L404 R405 M409 I435 V448	W378-Y402 HydrophobicContact CH2-CE1 4.36Å; W378-Y402 HydrophobicContact CH2-CE2 4.35Å; W378-Y402 AromaticContact CH2-CZ 3.78Å; W378-Y402 WeakPolarHBondContact CH2-OH 3.47Å; W378-Y402 HydrophobicContact CZ3-CE2 4.22Å; L384-Y402 WeakPolarHBondContact O-CD2 3.48Å; Y402-L404 HydrophobicContact CD1-CD2 4.31Å; Y402-L404 HydrophobicContact CE1-CD2 3.89Å; Y402-L404 PolarHBondContact O-N 3.12Å; Y402-L404 VanDerWaalsContact O-N 3.1Å; Y402-R405 HydrophobicContact CD2-CB 4.39Å; Y402-R405 HydrophobicContact CE2-CB 3.95Å; Y402-R405 PolarHBondContact OH-O 3.23Å; Y402-M409 WeakPolarHBondContact OH-CE 3.41Å; Y402-I435 HydrophobicContact CE1-CG1 4.38Å; Y402-V448 HydrophobicContact CD1-CG2 4.32Å; Y402-V448 PolarHBondContact N-O 3.49Å; Y402-V448 PolarHBondContact O-N 3.19Å
403	P	97.4	Very high	97.2	Very high	19 Å²	19	33.3 Å²	33.3	12%	0.123	16%	0.162	C	C	.	.			trans	-85.2	29.6	-173.7	34.5	-34.8	0	0	0	113.3	E386 R405 F463	E386-P403 WeakPolarHBondContact OE1-CD 3.49Å; E386-P403 WeakPolarHBondContact OE1-CG 2.95Å; P403-R405 HydrophobicContact CG-CG 4.07Å; P403-F463 HydrophobicContact CB-CZ 4.36Å; P403-F463 HydrophobicContact CG-CZ 4.49Å; P403-F463 VanDerWaalsContact O-CE2 3.25Å; P403-F463 WeakPolarHBondContact O-CE2 3.45Å; P403-F463 WeakPolarHBondContact O-CZ 3.48Å
404	L	98.1	Very high	97.2	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	15%	0.151	C	C	.	.			trans	69.9	32.4	-178.9	-45.5	176.9	0	0	0	114.8	Y402 A439 F464 T468	Y402-L404 HydrophobicContact CD1-CD2 4.31Å; Y402-L404 HydrophobicContact CE1-CD2 3.89Å; Y402-L404 PolarHBondContact O-N 3.12Å; Y402-L404 VanDerWaalsContact O-N 3.1Å; L404-A439 HydrophobicContact CD2-CB 3.55Å; L404-F464 HydrophobicContact CB-CB 4.27Å; L404-F464 HydrophobicContact CB-CD2 3.68Å; L404-F464 HydrophobicContact CB-CE2 4.41Å; L404-F464 HydrophobicContact CB-CG 4.23Å; L404-F464 HydrophobicContact CD1-CB 4.26Å; L404-F464 HydrophobicContact CD1-CD1 4.39Å; L404-F464 HydrophobicContact CD1-CD2 3.87Å; L404-F464 HydrophobicContact CD1-CE2 4.32Å; L404-F464 HydrophobicContact CD1-CG 3.89Å; L404-F464 HydrophobicContact CG-CD2 4.34Å; L404-T468 PolarHBondContact O-OG1 3.37Å
405	R	97.5	Very high	97.2	Very high	44 Å²	44	28 Å²	28	17%	0.166	13%	0.133	C	C	.	.			trans	-58.7	142.3	-175.5	-105.8	-176.6	-144.1	-60.5	-2.8	115.3	S349 E386 Y402 P403 E407	S349-R405 VanDerWaalsContact OG-CD 3.25Å; S349-R405 WeakPolarHBondContact OG-CD 3.47Å; S349-R405 PolarHBondContact OG-NE 3.34Å; E386-R405 IonicContact OE1-CZ 3.15Å; E386-R405 IonicContact OE1-NE 3.39Å; E386-R405 PolarHBondContact OE1-NE 3.1Å; E386-R405 IonicContact OE1-NH2 3.07Å; E386-R405 PolarHBondContact OE1-NH2 3.16Å; E386-R405 VanDerWaalsContact OE1-NH2 3.1Å; E386-R405 IonicContact OE2-CZ 3.18Å; E386-R405 IonicContact OE2-NE 3.19Å; E386-R405 IonicContact OE2-NH2 3.32Å; E386-R405 PolarHBondContact OE2-NH2 3.37Å; Y402-R405 HydrophobicContact CD2-CB 4.39Å; Y402-R405 HydrophobicContact CE2-CB 3.95Å; Y402-R405 PolarHBondContact OH-O 3.23Å; P403-R405 HydrophobicContact CG-CG 4.07Å; R405-E407 WeakPolarHBondContact CB-OE2 3.31Å; R405-E407 WeakPolarHBondContact CD-OE1 3.34Å; R405-E407 WeakPolarHBondContact CD-OE2 3.35Å; R405-E407 WeakPolarHBondContact CG-OE1 3.31Å; R405-E407 VanDerWaalsContact CG-OE2 3.25Å; R405-E407 WeakPolarHBondContact CG-OE2 3.33Å; R405-E407 IonicContact NH1-OE1 3.14Å
406	P	98.2	Very high	97.2	Very high	3 Å²	3	28.6 Å²	28.6	2%	0.019	14%	0.135	C	C	.	.			trans	-94.1	-13.9	-171.2	36	-37.7	0	0	0	115.9	L408 M409 E410 E467 T468 Y471	P406-L408 VanDerWaalsContact C-N 3.32Å; P406-L408 PolarHBondContact O-N 3.24Å; P406-M409 WeakPolarHBondContact O-CA 3.27Å; P406-M409 WeakPolarHBondContact O-CB 3.21Å; P406-M409 PolarHBondContact O-N 3.33Å; P406-E410 PolarHBondContact O-N 3.21Å; P406-E467 HydrophobicContact CB-CB 3.45Å; P406-E467 VanDerWaalsContact CB-CB 3.45Å; P406-E467 HydrophobicContact CG-CB 3.67Å; P406-E467 HydrophobicContact CG-CG 4.3Å; P406-T468 WeakPolarHBondContact CA-OG1 3.31Å; P406-T468 WeakPolarHBondContact CB-OG1 3.26Å; P406-Y471 HydrophobicContact CB-CD2 4.11Å; P406-Y471 HydrophobicContact CB-CE2 4.36Å
407	E	98.6	Very high	96.9	Very high	25 Å²	25	29.2 Å²	29.2	12%	0.117	13%	0.133	C	C	.	.	H	α-helix	trans	-64.6	-35.8	-155	-59.8	86.2	170	0	0	112.6	A352 F353 R405 E410 S411	A352-E407 CarbonylContact C-O 3.59Å; A352-E407 HydrophobicContact CB-CB 3.97Å; A352-E407 CarbonylContact O-C 3.59Å; A352-E407 VanDerWaalsContact O-O 3.04Å; F353-E407 HydrophobicContact CB-CB 4.18Å; F353-E407 HydrophobicContact CB-CG 4.41Å; R405-E407 WeakPolarHBondContact CB-OE2 3.31Å; R405-E407 WeakPolarHBondContact CD-OE1 3.34Å; R405-E407 WeakPolarHBondContact CD-OE2 3.35Å; R405-E407 WeakPolarHBondContact CG-OE1 3.31Å; R405-E407 VanDerWaalsContact CG-OE2 3.25Å; R405-E407 WeakPolarHBondContact CG-OE2 3.33Å; R405-E407 IonicContact NH1-OE1 3.14Å; E407-E410 PolarHBondContact O-N 2.91Å; E407-S411 PolarHBondContact O-N 3.09Å; E407-S411 VanDerWaalsContact O-N 3.12Å; E407-S411 PolarHBondContact O-OG 3.2Å
408	L	98.5	Very high	96.7	Very high	1 Å²	1	25.3 Å²	25.3	1%	0.005	12%	0.116	C	C	.	.	H	α-helix	trans	-71.8	-30.2	175.7	-166.7	60.5	0	0	0	112.5	A352 F371 Y374 W378 L384 P406 A412 F427	A352-L408 HydrophobicContact CB-CB 3.88Å; A352-L408 HydrophobicContact CB-CD1 4.17Å; F371-L408 HydrophobicContact CD2-CD1 3.57Å; F371-L408 HydrophobicContact CE2-CD1 3.41Å; F371-L408 VanDerWaalsContact CE2-CD1 3.41Å; F371-L408 HydrophobicContact CE2-CG 3.92Å; F371-L408 HydrophobicContact CG-CD1 4.39Å; F371-L408 HydrophobicContact CZ-CD1 4.12Å; F371-L408 HydrophobicContact CZ-CG 4.34Å; Y374-L408 HydrophobicContact CD2-CD1 4.3Å; W378-L408 HydrophobicContact CB-CD2 4.41Å; W378-L408 HydrophobicContact CE3-CD2 4.02Å; L384-L408 HydrophobicContact CD1-CB 3.98Å; L384-L408 HydrophobicContact CD1-CD2 4.06Å; L384-L408 HydrophobicContact CD2-CD2 4.26Å; L384-L408 HydrophobicContact CG-CD2 4.41Å; P406-L408 VanDerWaalsContact C-N 3.32Å; P406-L408 PolarHBondContact O-N 3.24Å; L408-A412 WeakPolarHBondContact O-CB 3.31Å; L408-A412 PolarHBondContact O-N 2.92Å; L408-F427 HydrophobicContact CB-CE1 4.46Å; L408-F427 HydrophobicContact CB-CZ 3.89Å; L408-F427 HydrophobicContact CD2-CD2 4.27Å; L408-F427 HydrophobicContact CD2-CE1 4.39Å; L408-F427 HydrophobicContact CD2-CE2 3.4Å; L408-F427 HydrophobicContact CD2-CZ 3.47Å; L408-F427 VanDerWaalsContact CD2-CZ 3.47Å; L408-F427 HydrophobicContact CG-CE1 3.97Å; L408-F427 HydrophobicContact CG-CE2 3.91Å; L408-F427 HydrophobicContact CG-CZ 3.45Å; L408-F427 VanDerWaalsContact CG-CZ 3.45Å
409	M	98.6	Very high	96.6	Very high	1 Å²	1	20.8 Å²	20.8	1%	0.005	10%	0.102	C	C	.	.	H	α-helix	trans	-70.8	-39.3	175.6	-61.2	75.7	159.7	0	0	111.3	W378 Y402 P406 A412 M413 F427 A431 I435 T468 L472	W378-M409 HydrophobicContact CH2-CE 3.33Å; W378-M409 HydrophobicContact CH2-SD 4.45Å; W378-M409 HydrophobicContact CZ2-CE 4.27Å; W378-M409 HydrophobicContact CZ3-CE 3.76Å; W378-M409 HydrophobicContact CZ3-SD 4.34Å; Y402-M409 WeakPolarHBondContact OH-CE 3.41Å; P406-M409 WeakPolarHBondContact O-CA 3.27Å; P406-M409 WeakPolarHBondContact O-CB 3.21Å; P406-M409 PolarHBondContact O-N 3.33Å; M409-A412 PolarHBondContact O-N 3.38Å; M409-M413 WeakPolarHBondContact O-CB 3.33Å; M409-M413 PolarHBondContact O-N 3.4Å; M409-F427 HydrophobicContact CG-CE1 4.27Å; M409-F427 HydrophobicContact CG-CZ 4.43Å; M409-F427 HydrophobicContact SD-CZ 4.42Å; M409-A431 HydrophobicContact CE-CB 4.17Å; M409-I435 HydrophobicContact CE-CD1 3.81Å; M409-T468 HydrophobicContact CE-CG2 3.77Å; M409-T468 HydrophobicContact SD-CG2 4.48Å; M409-L472 HydrophobicContact CB-CD2 4.34Å; M409-L472 HydrophobicContact CB-CG 4.33Å; M409-L472 HydrophobicContact CG-CD1 4.42Å; M409-L472 HydrophobicContact CG-CD2 3.72Å; M409-L472 HydrophobicContact CG-CG 3.83Å
410	E	98.4	Very high	96.3	Very high	10 Å²	10	16.6 Å²	16.6	5%	0.047	10%	0.099	C	C	.	.	H	α-helix	trans	-57.4	-52.3	170.8	-176.3	-171.3	-162.1	0	0	110.3	K301 P406 E407 A412 M413 Y414 Y471	K301-E410 IonicContact NZ-OE1 3.62Å; K301-E410 PolarHBondContact NZ-OE1 2.93Å; P406-E410 PolarHBondContact O-N 3.21Å; E407-E410 PolarHBondContact O-N 2.91Å; E410-A412 VanDerWaalsContact C-N 3.32Å; E410-A412 PolarHBondContact O-N 3.41Å; E410-M413 WeakPolarHBondContact O-CB 3.48Å; E410-M413 PolarHBondContact O-N 2.98Å; E410-M413 VanDerWaalsContact O-N 3.13Å; E410-Y414 HydrophobicContact CG-CD2 3.81Å; E410-Y414 HydrophobicContact CG-CE2 3.64Å; E410-Y414 WeakPolarHBondContact O-CD2 3.3Å; E410-Y414 PolarHBondContact O-N 3.29Å; E410-Y471 HydrophobicContact CB-CD1 4.33Å; E410-Y471 HydrophobicContact CB-CD2 3.76Å; E410-Y471 HydrophobicContact CB-CE1 4.25Å; E410-Y471 HydrophobicContact CB-CE2 3.66Å; E410-Y471 HydrophobicContact CB-CG 4.09Å; E410-Y471 HydrophobicContact CG-CD1 4.35Å; E410-Y471 HydrophobicContact CG-CD2 4.42Å; E410-Y471 HydrophobicContact CG-CE1 3.89Å; E410-Y471 HydrophobicContact CG-CE2 3.95Å
411	S	98.6	Very high	96.2	Very high	0 Å²	0	19 Å²	19	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-57.3	-42.8	177.9	-79.3	0	0	0	0	113.1	A352 F353 P355 G356 E407 Y414 L415	A352-S411 WeakPolarHBondContact O-CB 3.42Å; A352-S411 PolarHBondContact O-OG 2.84Å; F353-S411 PolarHBondContact O-OG 3.44Å; P355-S411 WeakPolarHBondContact CD-OG 3.33Å; G356-S411 PolarHBondContact N-OG 3.14Å; E407-S411 PolarHBondContact O-N 3.09Å; E407-S411 VanDerWaalsContact O-N 3.12Å; E407-S411 PolarHBondContact O-OG 3.2Å; S411-Y414 PolarHBondContact O-N 3.27Å; S411-L415 VanDerWaalsContact O-CB 3.3Å; S411-L415 WeakPolarHBondContact O-CB 3.47Å; S411-L415 WeakPolarHBondContact O-CG 3.28Å; S411-L415 PolarHBondContact O-N 2.83Å
412	A	98.7	Very high	96.1	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-63	-41.9	176.9	0	0	0	0	0	111.9	F371 L408 M409 E410 F416 F427 L475	F371-A412 HydrophobicContact CE2-CB 3.72Å; F371-A412 HydrophobicContact CZ-CB 3.82Å; L408-A412 WeakPolarHBondContact O-CB 3.31Å; L408-A412 PolarHBondContact O-N 2.92Å; M409-A412 PolarHBondContact O-N 3.38Å; E410-A412 VanDerWaalsContact C-N 3.32Å; E410-A412 PolarHBondContact O-N 3.41Å; A412-F416 VanDerWaalsContact O-CB 3.28Å; A412-F416 WeakPolarHBondContact O-CB 3.46Å; A412-F416 PolarHBondContact O-N 3.2Å; A412-F427 HydrophobicContact CB-CD1 3.5Å; A412-F427 HydrophobicContact CB-CE1 3.77Å; A412-L475 HydrophobicContact CB-CD2 4.11Å
413	M	97.6	Very high	96	Very high	0 Å²	0	21 Å²	21	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-60.8	-51.2	177.3	-178.3	-79.9	-63.3	0	0	110.9	M409 E410 L415 F416 R417 Y471 L474 L475	M409-M413 WeakPolarHBondContact O-CB 3.33Å; M409-M413 PolarHBondContact O-N 3.4Å; E410-M413 WeakPolarHBondContact O-CB 3.48Å; E410-M413 PolarHBondContact O-N 2.98Å; E410-M413 VanDerWaalsContact O-N 3.13Å; M413-L415 PolarHBondContact O-N 3.41Å; M413-F416 PolarHBondContact O-N 3Å; M413-R417 WeakPolarHBondContact O-CG 3.41Å; M413-R417 PolarHBondContact O-N 3.2Å; M413-R417 WeakPolarHBondContact SD-CD 3.35Å; M413-R417 HydrophobicContact SD-CG 4.23Å; M413-Y471 HydrophobicContact CE-CD1 4Å; M413-Y471 HydrophobicContact CE-CE1 4.16Å; M413-L474 HydrophobicContact CG-CB 4.21Å; M413-L475 HydrophobicContact CB-CB 4.18Å; M413-L475 HydrophobicContact CG-CB 4.45Å
414	Y	95.8	Very high	96.1	Very high	9 Å²	9	20.4 Å²	20.4	4%	0.035	12%	0.115	C	C	.	.	H	α-helix	trans	-65.1	-41.2	179.7	-77.2	-62	0	0	0	113	S359 L360 E410 S411 R417 A418	S359-Y414 VanDerWaalsContact OG-CB 3.26Å; S359-Y414 WeakPolarHBondContact OG-CB 3.23Å; L360-Y414 HydrophobicContact CD1-CE2 4.44Å; L360-Y414 HydrophobicContact CD2-CD1 3.78Å; L360-Y414 HydrophobicContact CD2-CE1 3.59Å; L360-Y414 HydrophobicContact CD2-CG 4.48Å; L360-Y414 HydrophobicContact CG-CD1 4.34Å; L360-Y414 HydrophobicContact CG-CE1 4.31Å; E410-Y414 HydrophobicContact CG-CD2 3.81Å; E410-Y414 HydrophobicContact CG-CE2 3.64Å; E410-Y414 WeakPolarHBondContact O-CD2 3.3Å; E410-Y414 PolarHBondContact O-N 3.29Å; S411-Y414 PolarHBondContact O-N 3.27Å; Y414-R417 PolarHBondContact O-N 3.03Å; Y414-A418 WeakPolarHBondContact O-CB 3.25Å; Y414-A418 PolarHBondContact O-N 3.45Å
415	L	96	Very high	96.1	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-65.8	-42.7	178.1	-78.8	167	0	0	0	112.4	P355 A367 F371 S411 M413 R417 A418 T419 Y424	P355-L415 HydrophobicContact CB-CD1 4.02Å; A367-L415 HydrophobicContact CB-CD2 3.73Å; F371-L415 HydrophobicContact CB-CD1 3.79Å; F371-L415 HydrophobicContact CD2-CD1 3.72Å; F371-L415 HydrophobicContact CG-CD1 3.85Å; S411-L415 VanDerWaalsContact O-CB 3.3Å; S411-L415 WeakPolarHBondContact O-CB 3.47Å; S411-L415 WeakPolarHBondContact O-CG 3.28Å; S411-L415 PolarHBondContact O-N 2.83Å; M413-L415 PolarHBondContact O-N 3.41Å; L415-R417 VanDerWaalsContact C-N 3.31Å; L415-R417 PolarHBondContact O-N 2.97Å; L415-A418 PolarHBondContact O-N 3.44Å; L415-T419 PolarHBondContact O-N 2.83Å; L415-T419 PolarHBondContact O-OG1 3.4Å; L415-Y424 HydrophobicContact CB-CD1 3.99Å; L415-Y424 HydrophobicContact CB-CD2 3.89Å; L415-Y424 HydrophobicContact CB-CE1 3.7Å; L415-Y424 HydrophobicContact CB-CE2 3.58Å; L415-Y424 HydrophobicContact CB-CG 4.1Å; L415-Y424 VanDerWaalsContact CB-CZ 3.49Å; L415-Y424 HydrophobicContact CD1-CD1 4.31Å; L415-Y424 HydrophobicContact CD1-CE1 3.57Å; L415-Y424 HydrophobicContact CG-CE1 4.2Å
416	F	95.7	Very high	96.1	Very high	19 Å²	19	20.4 Å²	20.4	8%	0.083	12%	0.117	C	C	.	.	H	α-helix	trans	-59.5	-43.8	174.6	178.1	-119.3	0	0	0	111.5	A412 M413 A418 T419 G420 D421 Y424 L425 L475 P478	A412-F416 VanDerWaalsContact O-CB 3.28Å; A412-F416 WeakPolarHBondContact O-CB 3.46Å; A412-F416 PolarHBondContact O-N 3.2Å; M413-F416 PolarHBondContact O-N 3Å; F416-A418 VanDerWaalsContact C-N 3.32Å; F416-A418 PolarHBondContact O-N 3.45Å; F416-T419 PolarHBondContact O-N 3.29Å; F416-G420 VanDerWaalsContact O-CA 3.29Å; F416-G420 WeakPolarHBondContact O-CA 3.19Å; F416-G420 PolarHBondContact O-N 3.49Å; F416-D421 WeakPolarHBondContact CD2-O 3.23Å; F416-Y424 HydrophobicContact CB-CD2 4.24Å; F416-Y424 HydrophobicContact CB-CG 4.45Å; F416-L425 HydrophobicContact CD1-CD2 4.1Å; F416-L425 HydrophobicContact CD1-CG 4.47Å; F416-L425 HydrophobicContact CD2-CD1 4.32Å; F416-L425 HydrophobicContact CD2-CD2 4.5Å; F416-L425 HydrophobicContact CD2-CG 4.01Å; F416-L425 HydrophobicContact CE1-CD1 4.28Å; F416-L425 HydrophobicContact CE1-CD2 3.98Å; F416-L425 HydrophobicContact CE1-CG 4.3Å; F416-L425 HydrophobicContact CE2-CD1 3.63Å; F416-L425 HydrophobicContact CE2-CD2 4.4Å; F416-L425 HydrophobicContact CE2-CG 3.83Å; F416-L425 HydrophobicContact CG-CD2 4.37Å; F416-L425 HydrophobicContact CG-CG 4.33Å; F416-L425 HydrophobicContact CZ-CD1 3.62Å; F416-L425 HydrophobicContact CZ-CD2 4.14Å; F416-L425 HydrophobicContact CZ-CG 3.99Å; F416-L475 HydrophobicContact CB-CD1 3.62Å; F416-L475 HydrophobicContact CD1-CD1 3.94Å; F416-L475 HydrophobicContact CG-CD1 3.95Å; F416-P478 HydrophobicContact CE1-CB 4.28Å
417	R	90.1	Very high	96.1	Very high	57 Å²	57	20.3 Å²	20.3	22%	0.215	12%	0.116	C	C	.	.	H	α-helix	trans	-62.3	-39.4	176.1	-72.2	-175.8	68.2	-166.3	-1.9	112.7	M413 Y414 L415 H483	M413-R417 WeakPolarHBondContact O-CG 3.41Å; M413-R417 PolarHBondContact O-N 3.2Å; M413-R417 WeakPolarHBondContact SD-CD 3.35Å; M413-R417 HydrophobicContact SD-CG 4.23Å; Y414-R417 PolarHBondContact O-N 3.03Å; L415-R417 VanDerWaalsContact C-N 3.31Å; L415-R417 PolarHBondContact O-N 2.97Å; R417-H483 WeakPolarHBondContact CD-ND1 3.35Å; R417-H483 PolarHBondContact NE-ND1 3.25Å; R417-H483 PolarHBondContact NH1-ND1 2.87Å; R417-H483 PolarHBondContact NH2-O 3.24Å
418	A	89.4	Confident	96.1	Very high	28 Å²	28	19.1 Å²	19.1	23%	0.231	11%	0.111	C	C	.	.	H	α-helix	trans	-75.2	-30.2	-177.9	0	0	0	0	0	113.6	L364 Y414 L415 F416 L623	L364-A418 HydrophobicContact CD1-CB 4.46Å; L364-A418 HydrophobicContact CD2-CB 3.59Å; Y414-A418 WeakPolarHBondContact O-CB 3.25Å; Y414-A418 PolarHBondContact O-N 3.45Å; L415-A418 PolarHBondContact O-N 3.44Å; F416-A418 VanDerWaalsContact C-N 3.32Å; F416-A418 PolarHBondContact O-N 3.45Å; A418-L623 HydrophobicContact CB-CD1 4.41Å; A418-L623 HydrophobicContact CB-CD2 4.42Å
419	T	91.9	Very high	96.1	Very high	66 Å²	66	19.7 Å²	19.7	41%	0.405	11%	0.114	S	C	.	.	H	α-helix	trans	-118.1	-22.1	-170.8	71.2	0	0	0	0	115.1	L364 L415 F416 D421	L364-T419 HydrophobicContact CD1-CG2 4.3Å; L415-T419 PolarHBondContact O-N 2.83Å; L415-T419 PolarHBondContact O-OG1 3.4Å; F416-T419 PolarHBondContact O-N 3.29Å; T419-D421 PolarHBondContact O-N 3.24Å; T419-D421 VanDerWaalsContact OG1-CB 3.26Å; T419-D421 WeakPolarHBondContact OG1-CB 3.28Å; T419-D421 PolarHBondContact OG1-N 2.69Å
420	G	91.3	Very high	96.1	Very high	41 Å²	41	21.3 Å²	21.3	42%	0.423	12%	0.123	S	C	.	.			trans	65.9	15.9	-167.8	0	0	0	0	0	114.1	F416 H422	F416-G420 VanDerWaalsContact O-CA 3.29Å; F416-G420 WeakPolarHBondContact O-CA 3.19Å; F416-G420 PolarHBondContact O-N 3.49Å; G420-H422 PolarHBondContact O-CD2 3.08Å; G420-H422 PolarHBondContact O-N 2.9Å
421	D	94.2	Very high	96.1	Very high	62 Å²	62	20.9 Å²	20.9	33%	0.332	12%	0.121	S	C	.	.			trans	-78.6	116.7	-178.1	-175	-17	0	0	0	111.5	F416 T419 T423 Y424	F416-D421 WeakPolarHBondContact CD2-O 3.23Å; T419-D421 PolarHBondContact O-N 3.24Å; T419-D421 VanDerWaalsContact OG1-CB 3.26Å; T419-D421 WeakPolarHBondContact OG1-CB 3.28Å; T419-D421 PolarHBondContact OG1-N 2.69Å; D421-T423 PolarHBondContact O-N 3.39Å; D421-T423 VanDerWaalsContact O-N 3.11Å; D421-T423 WeakPolarHBondContact OD1-CB 3.42Å; D421-T423 PolarHBondContact OD1-N 2.94Å; D421-T423 PolarHBondContact OD1-OG1 3.43Å; D421-Y424 HydrophobicContact CB-CD2 3.94Å; D421-Y424 HydrophobicContact CB-CE2 3.75Å; D421-Y424 WeakPolarHBondContact O-CD2 3.5Å; D421-Y424 PolarHBondContact O-N 3.28Å
422	H	96.2	Very high	96.1	Very high	21 Å²	21	20.9 Å²	20.9	10%	0.097	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.4	-6.8	-177.1	-73.9	-113.8	0	0	0	114.2	R60 Q61 F62 G420 Y424 L425 Q426	R60-H422 VanDerWaalsContact O-CB 3.26Å; R60-H422 WeakPolarHBondContact O-CB 3.42Å; Q61-H422 VanDerWaalsContact CD-CE1 3.49Å; Q61-H422 PolarHBondContact NE2-CD2 3.22Å; Q61-H422 PolarHBondContact NE2-CE1 2.89Å; Q61-H422 PolarHBondContact NE2-NE2 2.86Å; Q61-H422 PolarHBondContact OE1-CD2 3.5Å; F62-H422 WeakPolarHBondContact CB-ND1 3.5Å; F62-H422 HydrophobicContact CD2-CB 4.23Å; F62-H422 AromaticContact CD2-ND1 3.91Å; F62-H422 PolarHBondContact N-ND1 3.35Å; F62-H422 PolarHBondContact O-CE1 2.86Å; G420-H422 PolarHBondContact O-CD2 3.08Å; G420-H422 PolarHBondContact O-N 2.9Å; H422-Y424 PolarHBondContact O-N 3.15Å; H422-L425 HydrophobicContact CB-CD1 4.45Å; H422-L425 WeakPolarHBondContact ND1-CD1 3.47Å; H422-L425 WeakPolarHBondContact O-CB 3.44Å; H422-L425 PolarHBondContact O-N 2.69Å; H422-L425 VanDerWaalsContact O-N 3.16Å; H422-Q426 PolarHBondContact O-N 3.47Å
423	T	96.4	Very high	96.1	Very high	36 Å²	36	25.3 Å²	25.3	22%	0.221	14%	0.142	C	C	.	.	H	α-helix	trans	-58.3	-34.9	169.8	-55.9	0	0	0	0	111.6	D421 Q426 F427	D421-T423 PolarHBondContact O-N 3.39Å; D421-T423 VanDerWaalsContact O-N 3.11Å; D421-T423 WeakPolarHBondContact OD1-CB 3.42Å; D421-T423 PolarHBondContact OD1-N 2.94Å; D421-T423 PolarHBondContact OD1-OG1 3.43Å; T423-Q426 WeakPolarHBondContact O-CB 3.26Å; T423-Q426 PolarHBondContact O-N 2.83Å; T423-F427 PolarHBondContact O-N 3.36Å
424	Y	98.1	Very high	96.2	Very high	5 Å²	5	26 Å²	26	2%	0.02	15%	0.147	C	C	.	.	H	α-helix	trans	-70.8	-34.9	176.8	-57.2	-60.1	0	0	0	112.1	F371 L415 F416 D421 H422 F427 G428	F371-Y424 AromaticContact CD1-CD1 3.9Å; F371-Y424 HydrophobicContact CD1-CD1 3.9Å; F371-Y424 AromaticContact CD1-CE1 3.58Å; F371-Y424 HydrophobicContact CD1-CE1 3.58Å; F371-Y424 HydrophobicContact CD2-CD1 4.48Å; F371-Y424 HydrophobicContact CD2-CE1 4.34Å; F371-Y424 AromaticContact CE1-CD1 3.6Å; F371-Y424 HydrophobicContact CE1-CD1 3.6Å; F371-Y424 AromaticContact CE1-CE1 3.81Å; F371-Y424 HydrophobicContact CE1-CE1 3.81Å; F371-Y424 HydrophobicContact CE2-CD1 4.22Å; F371-Y424 HydrophobicContact CG-CD1 4.34Å; F371-Y424 AromaticContact CG-CE1 3.88Å; F371-Y424 HydrophobicContact CG-CE1 3.88Å; F371-Y424 AromaticContact CZ-CD1 3.78Å; F371-Y424 HydrophobicContact CZ-CD1 3.78Å; F371-Y424 HydrophobicContact CZ-CE1 4.28Å; L415-Y424 HydrophobicContact CB-CD1 3.99Å; L415-Y424 HydrophobicContact CB-CD2 3.89Å; L415-Y424 HydrophobicContact CB-CE1 3.7Å; L415-Y424 HydrophobicContact CB-CE2 3.58Å; L415-Y424 HydrophobicContact CB-CG 4.1Å; L415-Y424 VanDerWaalsContact CB-CZ 3.49Å; L415-Y424 HydrophobicContact CD1-CD1 4.31Å; L415-Y424 HydrophobicContact CD1-CE1 3.57Å; L415-Y424 HydrophobicContact CG-CE1 4.2Å; F416-Y424 HydrophobicContact CB-CD2 4.24Å; F416-Y424 HydrophobicContact CB-CG 4.45Å; D421-Y424 HydrophobicContact CB-CD2 3.94Å; D421-Y424 HydrophobicContact CB-CE2 3.75Å; D421-Y424 WeakPolarHBondContact O-CD2 3.5Å; D421-Y424 PolarHBondContact O-N 3.28Å; H422-Y424 PolarHBondContact O-N 3.15Å; Y424-F427 WeakPolarHBondContact O-CB 3.48Å; Y424-F427 PolarHBondContact O-N 2.8Å; Y424-G428 PolarHBondContact O-N 3.34Å
425	L	98.3	Very high	96.3	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-67	-37.5	170.5	-64.7	175.9	0	0	0	111.7	F62 M67 F416 H422 F427 G428 L429 L475 F476	F62-L425 HydrophobicContact CB-CD1 3.81Å; F62-L425 HydrophobicContact CD1-CB 4.43Å; F62-L425 HydrophobicContact CD2-CB 3.72Å; F62-L425 HydrophobicContact CD2-CD1 4.13Å; F62-L425 HydrophobicContact CE2-CB 3.81Å; F62-L425 HydrophobicContact CG-CB 4.06Å; F62-L425 HydrophobicContact CG-CD1 4Å; F62-L425 HydrophobicContact CZ-CB 4.22Å; M67-L425 HydrophobicContact CG-CD1 4.46Å; M67-L425 HydrophobicContact SD-CD1 3.68Å; M67-L425 HydrophobicContact SD-CD2 4.28Å; F416-L425 HydrophobicContact CD1-CD2 4.1Å; F416-L425 HydrophobicContact CD1-CG 4.47Å; F416-L425 HydrophobicContact CD2-CD1 4.32Å; F416-L425 HydrophobicContact CD2-CD2 4.5Å; F416-L425 HydrophobicContact CD2-CG 4.01Å; F416-L425 HydrophobicContact CE1-CD1 4.28Å; F416-L425 HydrophobicContact CE1-CD2 3.98Å; F416-L425 HydrophobicContact CE1-CG 4.3Å; F416-L425 HydrophobicContact CE2-CD1 3.63Å; F416-L425 HydrophobicContact CE2-CD2 4.4Å; F416-L425 HydrophobicContact CE2-CG 3.83Å; F416-L425 HydrophobicContact CG-CD2 4.37Å; F416-L425 HydrophobicContact CG-CG 4.33Å; F416-L425 HydrophobicContact CZ-CD1 3.62Å; F416-L425 HydrophobicContact CZ-CD2 4.14Å; F416-L425 HydrophobicContact CZ-CG 3.99Å; H422-L425 HydrophobicContact CB-CD1 4.45Å; H422-L425 WeakPolarHBondContact ND1-CD1 3.47Å; H422-L425 WeakPolarHBondContact O-CB 3.44Å; H422-L425 PolarHBondContact O-N 2.69Å; H422-L425 VanDerWaalsContact O-N 3.16Å; L425-F427 VanDerWaalsContact C-N 3.35Å; L425-G428 PolarHBondContact O-N 3.05Å; L425-L429 PolarHBondContact O-N 3.42Å; L425-L475 HydrophobicContact CD2-CD1 3.78Å; L425-L475 HydrophobicContact CD2-CG 3.89Å; L425-L475 VanDerWaalsContact CD2-O 3.27Å; L425-L475 WeakPolarHBondContact CD2-O 3.46Å; L425-F476 HydrophobicContact CB-CE1 4.03Å; L425-F476 HydrophobicContact CD2-CD1 3.72Å; L425-F476 HydrophobicContact CD2-CE1 3.8Å; L425-F476 HydrophobicContact CD2-CG 4.39Å; L425-F476 HydrophobicContact CG-CE1 4.49Å; L425-F476 VanDerWaalsContact O-CZ 3.27Å; L425-F476 WeakPolarHBondContact O-CZ 3.46Å
426	Q	98	Very high	96.4	Very high	45 Å²	45	27.7 Å²	27.7	21%	0.21	16%	0.155	C	C	.	.	H	α-helix	trans	-62	-44.4	173.5	-175.2	58.9	61.9	0	0	111	R60 F62 H422 T423 G428 L429 D430	R60-Q426 VanDerWaalsContact CD-OE1 3.3Å; F62-Q426 HydrophobicContact CE2-CB 4.12Å; F62-Q426 HydrophobicContact CZ-CB 4.4Å; H422-Q426 PolarHBondContact O-N 3.47Å; T423-Q426 WeakPolarHBondContact O-CB 3.26Å; T423-Q426 PolarHBondContact O-N 2.83Å; Q426-G428 VanDerWaalsContact C-N 3.35Å; Q426-G428 PolarHBondContact O-N 2.93Å; Q426-L429 PolarHBondContact O-N 3.4Å; Q426-D430 PolarHBondContact NE2-OD1 3.14Å; Q426-D430 PolarHBondContact O-N 2.97Å
427	F	98.5	Very high	96.6	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-57.4	-46.6	171.4	161.9	-101.4	0	0	0	112	F371 Y375 W378 L408 M409 A412 T423 Y424 L425 L429 D430 A431	F371-F427 HydrophobicContact CE1-CB 4.34Å; F371-F427 HydrophobicContact CE1-CG 4.39Å; F371-F427 HydrophobicContact CE2-CD1 4.43Å; F371-F427 HydrophobicContact CZ-CB 4.12Å; F371-F427 AromaticContact CZ-CD1 3.7Å; F371-F427 HydrophobicContact CZ-CD1 3.7Å; F371-F427 HydrophobicContact CZ-CD2 4.44Å; F371-F427 HydrophobicContact CZ-CE1 4.24Å; F371-F427 AromaticContact CZ-CG 3.79Å; F371-F427 HydrophobicContact CZ-CG 3.79Å; Y375-F427 HydrophobicContact CD2-CB 4.2Å; Y375-F427 AromaticContact CD2-CD2 3.43Å; Y375-F427 HydrophobicContact CD2-CD2 3.43Å; Y375-F427 VanDerWaalsContact CD2-CD2 3.43Å; Y375-F427 HydrophobicContact CD2-CE2 4.27Å; Y375-F427 HydrophobicContact CD2-CG 4.22Å; Y375-F427 HydrophobicContact CE1-CB 4.18Å; Y375-F427 HydrophobicContact CE2-CB 3.89Å; Y375-F427 AromaticContact CE2-CD2 3.59Å; Y375-F427 HydrophobicContact CE2-CD2 3.59Å; Y375-F427 HydrophobicContact CE2-CG 4.23Å; Y375-F427 HydrophobicContact CG-CD2 4.2Å; W378-F427 HydrophobicContact CB-CE2 4.36Å; W378-F427 AromaticContact CD2-CE2 3.68Å; W378-F427 HydrophobicContact CD2-CE2 3.68Å; W378-F427 HydrophobicContact CD2-CZ 4.39Å; W378-F427 AromaticContact CE3-CE2 3.86Å; W378-F427 HydrophobicContact CE3-CE2 3.86Å; W378-F427 HydrophobicContact CE3-CZ 4.19Å; W378-F427 HydrophobicContact CG-CD2 4.46Å; W378-F427 AromaticContact CG-CE2 3.86Å; W378-F427 HydrophobicContact CG-CE2 3.86Å; W378-F427 HydrophobicContact CZ3-CE2 4.5Å; W378-F427 HydrophobicContact CZ3-CZ 4.44Å; L408-F427 HydrophobicContact CB-CE1 4.46Å; L408-F427 HydrophobicContact CB-CZ 3.89Å; L408-F427 HydrophobicContact CD2-CD2 4.27Å; L408-F427 HydrophobicContact CD2-CE1 4.39Å; L408-F427 HydrophobicContact CD2-CE2 3.4Å; L408-F427 HydrophobicContact CD2-CZ 3.47Å; L408-F427 VanDerWaalsContact CD2-CZ 3.47Å; L408-F427 HydrophobicContact CG-CE1 3.97Å; L408-F427 HydrophobicContact CG-CE2 3.91Å; L408-F427 HydrophobicContact CG-CZ 3.45Å; L408-F427 VanDerWaalsContact CG-CZ 3.45Å; M409-F427 HydrophobicContact CG-CE1 4.27Å; M409-F427 HydrophobicContact CG-CZ 4.43Å; M409-F427 HydrophobicContact SD-CZ 4.42Å; A412-F427 HydrophobicContact CB-CD1 3.5Å; A412-F427 HydrophobicContact CB-CE1 3.77Å; T423-F427 PolarHBondContact O-N 3.36Å; Y424-F427 WeakPolarHBondContact O-CB 3.48Å; Y424-F427 PolarHBondContact O-N 2.8Å; L425-F427 VanDerWaalsContact C-N 3.35Å; F427-L429 PolarHBondContact O-N 3.2Å; F427-D430 WeakPolarHBondContact O-CB 3.33Å; F427-D430 PolarHBondContact O-N 3.38Å; F427-D430 VanDerWaalsContact O-N 3.12Å; F427-A431 HydrophobicContact CE2-CB 4.3Å; F427-A431 HydrophobicContact CZ-CB 4.17Å; F427-A431 WeakPolarHBondContact O-CB 3.49Å; F427-A431 PolarHBondContact O-N 2.89Å
428	G	98.6	Very high	96.9	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-57.1	-37.2	178.3	0	0	0	0	0	112.8	Y424 L425 Q426 A431 V432	Y424-G428 PolarHBondContact O-N 3.34Å; L425-G428 PolarHBondContact O-N 3.05Å; Q426-G428 VanDerWaalsContact C-N 3.35Å; Q426-G428 PolarHBondContact O-N 2.93Å; G428-A431 PolarHBondContact O-N 3.41Å; G428-V432 WeakPolarHBondContact O-CG2 3.41Å; G428-V432 PolarHBondContact O-N 2.88Å
429	L	98.6	Very high	97.4	Very high	13 Å²	13	31.6 Å²	31.6	7%	0.068	16%	0.163	C	C	.	.	H	α-helix	trans	-68.6	-46.8	175.4	177.1	60.8	0	0	0	111.2	F62 V70 L425 Q426 F427 A431 V432 E433 F476	F62-L429 HydrophobicContact CE1-CB 4.5Å; F62-L429 HydrophobicContact CE1-CD2 4.15Å; F62-L429 HydrophobicContact CZ-CB 4.36Å; F62-L429 HydrophobicContact CZ-CD2 4.12Å; V70-L429 HydrophobicContact CG2-CD1 3.94Å; L425-L429 PolarHBondContact O-N 3.42Å; Q426-L429 PolarHBondContact O-N 3.4Å; F427-L429 PolarHBondContact O-N 3.2Å; L429-A431 PolarHBondContact O-N 2.96Å; L429-V432 PolarHBondContact O-N 3.37Å; L429-E433 HydrophobicContact CD1-CG 4.3Å; L429-E433 WeakPolarHBondContact O-CG 3.35Å; L429-E433 PolarHBondContact O-N 2.97Å; L429-F476 HydrophobicContact CB-CZ 4.35Å
430	D	98.5	Very high	97.7	Very high	36 Å²	36	32.9 Å²	32.9	19%	0.193	16%	0.163	C	C	.	.	H	α-helix	trans	-59.2	-36.5	176.3	-71.9	15.4	0	0	0	111.3	Y375 Q426 F427 S434	Y375-D430 PolarHBondContact OH-OD2 3.5Å; Q426-D430 PolarHBondContact NE2-OD1 3.14Å; Q426-D430 PolarHBondContact O-N 2.97Å; F427-D430 WeakPolarHBondContact O-CB 3.33Å; F427-D430 PolarHBondContact O-N 3.38Å; F427-D430 VanDerWaalsContact O-N 3.12Å; D430-S434 VanDerWaalsContact O-CB 3.27Å; D430-S434 WeakPolarHBondContact O-CB 3.3Å; D430-S434 PolarHBondContact O-N 3.34Å; D430-S434 PolarHBondContact O-OG 2.77Å
431	A	98.7	Very high	98	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-67.6	-48.8	176.8	0	0	0	0	0	112.1	W378 M409 F427 G428 L429 E433 S434 I435 L472	W378-A431 HydrophobicContact CH2-CB 4.12Å; W378-A431 VanDerWaalsContact CZ2-CA 3.49Å; W378-A431 HydrophobicContact CZ2-CB 3.59Å; M409-A431 HydrophobicContact CE-CB 4.17Å; F427-A431 HydrophobicContact CE2-CB 4.3Å; F427-A431 HydrophobicContact CZ-CB 4.17Å; F427-A431 WeakPolarHBondContact O-CB 3.49Å; F427-A431 PolarHBondContact O-N 2.89Å; G428-A431 PolarHBondContact O-N 3.41Å; L429-A431 PolarHBondContact O-N 2.96Å; A431-E433 VanDerWaalsContact C-N 3.31Å; A431-E433 PolarHBondContact O-N 3.33Å; A431-S434 PolarHBondContact O-N 2.88Å; A431-I435 WeakPolarHBondContact O-CB 3.28Å; A431-I435 VanDerWaalsContact O-CG1 3.31Å; A431-I435 WeakPolarHBondContact O-CG1 3.44Å; A431-I435 PolarHBondContact O-N 3.13Å; A431-L472 HydrophobicContact CB-CD2 4.21Å
432	V	98.8	Very high	98.2	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-56.7	-45.7	174.4	166.1	0	0	0	0	111	V70 I74 M77 G428 L429 E436 L472	V70-V432 HydrophobicContact CG1-CG2 4.36Å; I74-V432 HydrophobicContact CD1-CG2 4.06Å; I74-V432 HydrophobicContact CG1-CG2 3.68Å; M77-V432 HydrophobicContact SD-CG1 3.86Å; M77-V432 HydrophobicContact SD-CG2 4.38Å; G428-V432 WeakPolarHBondContact O-CG2 3.41Å; G428-V432 PolarHBondContact O-N 2.88Å; L429-V432 PolarHBondContact O-N 3.37Å; V432-E436 VanDerWaalsContact O-CB 3.29Å; V432-E436 WeakPolarHBondContact O-CB 3.43Å; V432-E436 WeakPolarHBondContact O-CG 3.44Å; V432-E436 PolarHBondContact O-N 3.45Å; V432-L472 HydrophobicContact CG2-CD1 4.01Å; V432-L472 HydrophobicContact CG2-CD2 4.32Å
433	E	98.6	Very high	98.3	Very high	94 Å²	94	34 Å²	34	44%	0.439	17%	0.169	S	C	.	.	H	α-helix	trans	-66.2	-40.7	179.2	-73.6	-179.6	177.3	0	0	112.7	R73 L429 A431 R437	R73-E433 IonicContact NH1-OE1 3.34Å; L429-E433 HydrophobicContact CD1-CG 4.3Å; L429-E433 WeakPolarHBondContact O-CG 3.35Å; L429-E433 PolarHBondContact O-N 2.97Å; A431-E433 VanDerWaalsContact C-N 3.31Å; A431-E433 PolarHBondContact O-N 3.33Å; E433-R437 VanDerWaalsContact O-CB 3.25Å; E433-R437 WeakPolarHBondContact O-CB 3.35Å; E433-R437 PolarHBondContact O-N 3.32Å; E433-R437 VanDerWaalsContact O-N 3.11Å
434	S	98.4	Very high	98.3	Very high	15 Å²	15	32.3 Å²	32.3	11%	0.105	16%	0.158	C	C	.	.	H	α-helix	trans	-66.4	-49.9	179	-59.1	0	0	0	0	111.1	G382 D430 A431 E436 R437 I438	G382-S434 WeakPolarHBondContact O-CB 3.48Å; D430-S434 VanDerWaalsContact O-CB 3.27Å; D430-S434 WeakPolarHBondContact O-CB 3.3Å; D430-S434 PolarHBondContact O-N 3.34Å; D430-S434 PolarHBondContact O-OG 2.77Å; A431-S434 PolarHBondContact O-N 2.88Å; S434-E436 PolarHBondContact O-N 3.33Å; S434-R437 PolarHBondContact O-N 3.06Å; S434-R437 VanDerWaalsContact O-N 3.12Å; S434-I438 VanDerWaalsContact O-CG1 3.31Å; S434-I438 WeakPolarHBondContact O-CG1 3.49Å; S434-I438 PolarHBondContact O-N 3.2Å
435	I	98.7	Very high	98.4	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-60.8	-47.4	179.8	-67	167.6	0	0	0	111.1	M77 Y402 M409 A431 R437 I438 A439 K440 Y445 F464 T468	M77-I435 HydrophobicContact CE-CB 4.12Å; M77-I435 HydrophobicContact CE-CG2 3.65Å; Y402-I435 HydrophobicContact CE1-CG1 4.38Å; M409-I435 HydrophobicContact CE-CD1 3.81Å; A431-I435 WeakPolarHBondContact O-CB 3.28Å; A431-I435 VanDerWaalsContact O-CG1 3.31Å; A431-I435 WeakPolarHBondContact O-CG1 3.44Å; A431-I435 PolarHBondContact O-N 3.13Å; I435-R437 PolarHBondContact O-N 3.14Å; I435-I438 PolarHBondContact O-N 2.71Å; I435-A439 HydrophobicContact CG2-CB 4.27Å; I435-A439 WeakPolarHBondContact O-CB 3.45Å; I435-A439 PolarHBondContact O-N 3.47Å; I435-K440 PolarHBondContact O-N 3.5Å; I435-Y445 HydrophobicContact CG2-CD1 3.74Å; I435-Y445 HydrophobicContact CG2-CE1 3.97Å; I435-F464 HydrophobicContact CG2-CE2 4.05Å; I435-F464 HydrophobicContact CG2-CZ 4.22Å; I435-T468 HydrophobicContact CD1-CG2 4.01Å
436	E	98.4	Very high	98.4	Very high	44 Å²	44	32.1 Å²	32.1	21%	0.206	16%	0.157	C	C	.	.	H	α-helix	trans	-56.8	-37.2	175.8	-83.6	-82.8	-168.3	0	0	112.4	M77 V432 S434 K440 Y445	M77-E436 HydrophobicContact CE-CG 4.23Å; M77-E436 HydrophobicContact CG-CG 4.14Å; M77-E436 WeakPolarHBondContact CG-OE1 3.24Å; M77-E436 HydrophobicContact SD-CG 4.02Å; V432-E436 VanDerWaalsContact O-CB 3.29Å; V432-E436 WeakPolarHBondContact O-CB 3.43Å; V432-E436 WeakPolarHBondContact O-CG 3.44Å; V432-E436 PolarHBondContact O-N 3.45Å; S434-E436 PolarHBondContact O-N 3.33Å; E436-K440 VanDerWaalsContact O-CB 3.24Å; E436-K440 WeakPolarHBondContact O-CB 3.41Å; E436-K440 IonicContact OE1-NZ 3.52Å; E436-K440 PolarHBondContact OE1-NZ 3.08Å; E436-K440 VanDerWaalsContact OE2-CD 3.26Å; E436-K440 WeakPolarHBondContact OE2-CD 3.43Å; E436-K440 WeakPolarHBondContact OE2-CE 3.46Å; E436-K440 IonicContact OE2-NZ 3.29Å; E436-K440 PolarHBondContact OE2-NZ 3.22Å; E436-Y445 VanDerWaalsContact CD-OH 3.3Å; E436-Y445 PolarHBondContact OE1-OH 3.34Å; E436-Y445 PolarHBondContact OE2-OH 3.32Å
437	R	98.3	Very high	98.4	Very high	175 Å²	175	30.3 Å²	30.3	66%	0.66	15%	0.15	S	C	*	.	H	α-helix	trans	-78.8	-43.8	-178.2	-177.8	-178.7	63.9	150	0.2	113.3	E433 S434 I435	E433-R437 VanDerWaalsContact O-CB 3.25Å; E433-R437 WeakPolarHBondContact O-CB 3.35Å; E433-R437 PolarHBondContact O-N 3.32Å; E433-R437 VanDerWaalsContact O-N 3.11Å; S434-R437 PolarHBondContact O-N 3.06Å; S434-R437 VanDerWaalsContact O-N 3.12Å; I435-R437 PolarHBondContact O-N 3.14Å
438	I	98.1	Very high	98.4	Very high	10 Å²	10	30.5 Å²	30.5	5%	0.051	15%	0.151	C	C	.	.	H	α-helix	trans	-102.9	-19.7	-166.1	78.2	-178	0	0	0	113.7	G382 S434 I435 V448 L451 H454 L456	G382-I438 WeakPolarHBondContact O-CD1 3.4Å; S434-I438 VanDerWaalsContact O-CG1 3.31Å; S434-I438 WeakPolarHBondContact O-CG1 3.49Å; S434-I438 PolarHBondContact O-N 3.2Å; I435-I438 PolarHBondContact O-N 2.71Å; I438-V448 HydrophobicContact CD1-CG2 3.98Å; I438-V448 HydrophobicContact CG1-CG2 3.86Å; I438-L451 HydrophobicContact CD1-CD2 4.04Å; I438-H454 HydrophobicContact CB-CB 4.33Å; I438-L456 WeakPolarHBondContact O-CD2 3.43Å
439	A	98.4	Very high	98.3	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-117.1	-18.6	-172.8	0	0	0	0	0	114	L404 I435 T441 Y445 A446 V448	L404-A439 HydrophobicContact CD2-CB 3.55Å; I435-A439 HydrophobicContact CG2-CB 4.27Å; I435-A439 WeakPolarHBondContact O-CB 3.45Å; I435-A439 PolarHBondContact O-N 3.47Å; A439-T441 PolarHBondContact O-N 3.1Å; A439-Y445 HydrophobicContact CB-CD1 4.19Å; A439-Y445 CarbonylContact O-C 3.55Å; A439-Y445 WeakPolarHBondContact O-CA 3.47Å; A439-A446 VanDerWaalsContact CB-O 3.31Å; A439-A446 WeakPolarHBondContact CB-O 3.36Å; A439-A446 PolarHBondContact O-N 2.89Å; A439-V448 HydrophobicContact CB-CG2 4.43Å
440	K	98.6	Very high	98.3	Very high	94 Å²	94	36 Å²	36	41%	0.409	18%	0.175	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	135	-176.5	-166.5	-173.4	-153	147.5	0	112	I435 E436 Y445	I435-K440 PolarHBondContact O-N 3.5Å; E436-K440 VanDerWaalsContact O-CB 3.24Å; E436-K440 WeakPolarHBondContact O-CB 3.41Å; E436-K440 IonicContact OE1-NZ 3.52Å; E436-K440 PolarHBondContact OE1-NZ 3.08Å; E436-K440 VanDerWaalsContact OE2-CD 3.26Å; E436-K440 WeakPolarHBondContact OE2-CD 3.43Å; E436-K440 WeakPolarHBondContact OE2-CE 3.46Å; E436-K440 IonicContact OE2-NZ 3.29Å; E436-K440 PolarHBondContact OE2-NZ 3.22Å; K440-Y445 HydrophobicContact CB-CD1 4.08Å; K440-Y445 HydrophobicContact CB-CE1 3.7Å; K440-Y445 HydrophobicContact CG-CD1 4.49Å; K440-Y445 HydrophobicContact CG-CE1 3.92Å
441	T	98.5	Very high	98.3	Very high	12 Å²	12	34.3 Å²	34.3	7%	0.074	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	171.7	174.4	73.6	0	0	0	0	110.2	H80 P97 L98 A439 C443 G444 A446 L456	H80-T441 PolarHBondContact CE1-O 3.19Å; H80-T441 PolarHBondContact NE2-O 3.39Å; P97-T441 HydrophobicContact CB-CG2 4.25Å; P97-T441 WeakPolarHBondContact CB-OG1 3.39Å; P97-T441 PolarHBondContact O-OG1 3.5Å; L98-T441 HydrophobicContact CD2-CG2 3.69Å; A439-T441 PolarHBondContact O-N 3.1Å; T441-C443 PolarHBondContact O-N 3.35Å; T441-C443 PolarHBondContact OG1-N 3.06Å; T441-G444 PolarHBondContact N-O 2.84Å; T441-G444 PolarHBondContact OG1-N 2.95Å; T441-G444 PolarHBondContact OG1-O 2.99Å; T441-A446 HydrophobicContact CG2-CB 3.68Å; T441-L456 HydrophobicContact CG2-CD1 3.97Å
442	P	98.1	Very high	98.1	Very high	119 Å²	119	39.5 Å²	39.5	77%	0.773	19%	0.186	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.4	-29.7	171.8	-26.2	36.6	0	0	0	114.4	H80	H80-P442 PolarHBondContact CE1-O 3.4Å
443	C	96.9	Very high	98	Very high	17 Å²	17	44.4 Å²	44.4	12%	0.115	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-118.6	38.2	-173	-61.9	0	0	0	0	112.5	S84 L95 C100 T441	S84-C443 VanDerWaalsContact CB-O 3.3Å; S84-C443 WeakPolarHBondContact CB-O 3.39Å; L95-C443 WeakPolarHBondContact CD2-O 3.49Å; C100-C443 HydrophobicContact CB-CB 3.75Å; C100-C443 WeakPolarHBondContact CB-SG 3.45Å; C100-C443 WeakPolarHBondContact SG-CB 3.39Å; C100-C443 CovalentContact SG-SG 2.03Å; C100-C443 PolarHBondContact SG-SG 3.15Å; T441-C443 PolarHBondContact O-N 3.35Å; T441-C443 PolarHBondContact OG1-N 3.06Å
444	G	98.1	Very high	97.9	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	121.7	-149.5	177.5	0	0	0	0	0	113.2	H80 S84 T441	H80-G444 PolarHBondContact NE2-N 2.66Å; H80-G444 PolarHBondContact NE2-O 2.76Å; S84-G444 PolarHBondContact OG-N 2.89Å; T441-G444 PolarHBondContact N-O 2.84Å; T441-G444 PolarHBondContact OG1-N 2.95Å; T441-G444 PolarHBondContact OG1-O 2.99Å
445	Y	98.6	Very high	97.9	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	127	178.1	-69.4	-97.6	0	0	0	110.3	M77 H80 A81 I435 E436 A439 K440 M460 F464	M77-Y445 HydrophobicContact CB-CE2 4.16Å; M77-Y445 HydrophobicContact CE-CE1 4.18Å; M77-Y445 WeakPolarHBondContact CG-OH 3.26Å; H80-Y445 HydrophobicContact CB-CE2 4.36Å; H80-Y445 AromaticContact CD2-CE2 3.6Å; A81-Y445 HydrophobicContact CB-CD2 4.03Å; A81-Y445 HydrophobicContact CB-CE2 4.46Å; I435-Y445 HydrophobicContact CG2-CD1 3.74Å; I435-Y445 HydrophobicContact CG2-CE1 3.97Å; E436-Y445 VanDerWaalsContact CD-OH 3.3Å; E436-Y445 PolarHBondContact OE1-OH 3.34Å; E436-Y445 PolarHBondContact OE2-OH 3.32Å; A439-Y445 HydrophobicContact CB-CD1 4.19Å; A439-Y445 CarbonylContact O-C 3.55Å; A439-Y445 WeakPolarHBondContact O-CA 3.47Å; K440-Y445 HydrophobicContact CB-CD1 4.08Å; K440-Y445 HydrophobicContact CB-CE1 3.7Å; K440-Y445 HydrophobicContact CG-CD1 4.49Å; K440-Y445 HydrophobicContact CG-CE1 3.92Å; Y445-M460 WeakPolarHBondContact O-CB 3.22Å; Y445-M460 WeakPolarHBondContact O-CG 3.35Å; Y445-F464 HydrophobicContact CD1-CZ 4.12Å; Y445-F464 HydrophobicContact CD2-CD1 4.43Å; Y445-F464 AromaticContact CD2-CE1 3.38Å; Y445-F464 HydrophobicContact CD2-CE1 3.38Å; Y445-F464 AromaticContact CD2-CZ 3.73Å; Y445-F464 HydrophobicContact CD2-CZ 3.73Å; Y445-F464 HydrophobicContact CE2-CE1 4.08Å; Y445-F464 HydrophobicContact CE2-CZ 4.21Å; Y445-F464 AromaticContact CG-CE1 3.64Å; Y445-F464 HydrophobicContact CG-CE1 3.64Å; Y445-F464 AromaticContact CG-CZ 3.68Å; Y445-F464 HydrophobicContact CG-CZ 3.68Å
446	A	98.4	Very high	97.9	Very high	0 Å²	0	49 Å²	49	0%	0	23%	0.233	C	C	.	.	P	Polyproline II helix	trans	-91.6	140.4	179.6	0	0	0	0	0	111.3	P97 L98 A439 T441 L456 D457 R459	P97-A446 HydrophobicContact CG-CB 3.72Å; L98-A446 HydrophobicContact CD2-CB 4.29Å; A439-A446 VanDerWaalsContact CB-O 3.31Å; A439-A446 WeakPolarHBondContact CB-O 3.36Å; A439-A446 PolarHBondContact O-N 2.89Å; T441-A446 HydrophobicContact CG2-CB 3.68Å; A446-L456 HydrophobicContact CB-CB 4.04Å; A446-L456 HydrophobicContact CB-CD1 3.99Å; A446-L456 HydrophobicContact CB-CD2 3.87Å; A446-L456 HydrophobicContact CB-CG 4.19Å; A446-D457 WeakPolarHBondContact CB-O 3.23Å; A446-R459 CarbonylContact C-O 3.57Å; A446-R459 WeakPolarHBondContact CA-O 3.44Å
447	S	98.1	Very high	97.8	Very high	8 Å²	8	50.9 Å²	50.9	6%	0.056	24%	0.244	C	C	.	.	P	Polyproline II helix	trans	-51.8	140	160.7	-58.3	0	0	0	0	109.8	D457 R459	S447-D457 PolarHBondContact O-N 2.86Å; S447-R459 PolarHBondContact N-O 2.8Å; S447-R459 PolarHBondContact OG-O 3.4Å
448	V	98.4	Very high	97.8	Very high	3 Å²	3	44.2 Å²	44.2	2%	0.018	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	120.7	173.6	-176.2	0	0	0	0	107.5	G401 Y402 I438 A439 D450 L451 Q455 L456	G401-V448 CarbonylContact C-O 3.55Å; G401-V448 WeakPolarHBondContact CA-O 3.27Å; Y402-V448 HydrophobicContact CD1-CG2 4.32Å; Y402-V448 PolarHBondContact N-O 3.49Å; Y402-V448 PolarHBondContact O-N 3.19Å; I438-V448 HydrophobicContact CD1-CG2 3.98Å; I438-V448 HydrophobicContact CG1-CG2 3.86Å; A439-V448 HydrophobicContact CB-CG2 4.43Å; V448-D450 WeakPolarHBondContact CG1-O 3.24Å; V448-L451 HydrophobicContact CB-CD2 4.48Å; V448-L451 HydrophobicContact CG1-CD2 4.12Å; V448-L451 HydrophobicContact CG1-CG 4.43Å; V448-Q455 CarbonylContact C-O 3.59Å; V448-L456 HydrophobicContact CG2-CD2 4.25Å
449	K	97.9	Very high	97.7	Very high	108 Å²	108	46.9 Å²	46.9	47%	0.47	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	-38.3	178.3	-174	174.3	162.5	-153.5	0	112.2	G401 Q455 D457	G401-K449 WeakPolarHBondContact CA-O 3.1Å; G401-K449 PolarHBondContact N-O 2.81Å; K449-Q455 WeakPolarHBondContact CA-O 3.31Å; K449-Q455 HydrophobicContact CB-CG 4.36Å; K449-Q455 WeakPolarHBondContact CB-O 3.47Å; K449-Q455 HydrophobicContact CD-CG 4.39Å; K449-Q455 PolarHBondContact N-O 3.09Å; K449-D457 HydrophobicContact CB-CB 4.05Å
450	D	97.9	Very high	97.6	Very high	20 Å²	20	46.9 Å²	46.9	11%	0.107	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	115.7	-179.4	-171.4	-26.4	0	0	0	110.3	E400 V448 R452 D453 H454 Q455	E400-D450 HydrophobicContact CB-CB 4.47Å; V448-D450 WeakPolarHBondContact CG1-O 3.24Å; D450-R452 PolarHBondContact O-N 2.83Å; D450-R452 WeakPolarHBondContact OD1-CB 3.17Å; D450-R452 VanDerWaalsContact OD1-CG 3.25Å; D450-R452 WeakPolarHBondContact OD1-CG 3.24Å; D450-R452 IonicContact OD1-CZ 2.69Å; D450-R452 PolarHBondContact OD1-N 3.39Å; D450-R452 IonicContact OD1-NE 3.33Å; D450-R452 PolarHBondContact OD1-NE 3.21Å; D450-R452 IonicContact OD1-NH2 3.53Å; D450-R452 IonicContact OD2-CZ 3.74Å; D450-R452 VanDerWaalsContact OD2-CZ 3.27Å; D450-R452 IonicContact OD2-NE 3.76Å; D450-R452 PolarHBondContact OD2-NE 3.01Å; D450-R452 VanDerWaalsContact OD2-NE 3.11Å; D450-R452 IonicContact OD2-NH2 2.63Å; D450-R452 PolarHBondContact OD2-NH2 3.47Å; D450-D453 WeakPolarHBondContact CB-OD1 3.42Å; D450-H454 WeakPolarHBondContact O-CA 3.28Å; D450-H454 PolarHBondContact O-N 3.38Å; D450-Q455 PolarHBondContact N-O 3.38Å; D450-Q455 PolarHBondContact O-N 3.21Å
451	L	97.4	Very high	97.5	Very high	2 Å²	2	43.5 Å²	43.5	1%	0.01	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.7	-11.6	-179.3	-82.8	175	0	0	0	114.7	F381 P385 E400 I438 V448 H454	F381-L451 HydrophobicContact CB-CB 4.11Å; F381-L451 HydrophobicContact CB-CD1 4.05Å; F381-L451 HydrophobicContact CB-CD2 4.44Å; F381-L451 HydrophobicContact CB-CG 4.47Å; F381-L451 HydrophobicContact CD1-CB 4.39Å; F381-L451 HydrophobicContact CG-CB 4.46Å; P385-L451 HydrophobicContact CB-CD1 3.9Å; P385-L451 HydrophobicContact CG-CD1 4.44Å; P385-L451 VanDerWaalsContact N-CD1 3.26Å; E400-L451 WeakPolarHBondContact O-CB 3.42Å; E400-L451 WeakPolarHBondContact O-CG 3.38Å; E400-L451 PolarHBondContact O-N 2.97Å; E400-L451 VanDerWaalsContact O-N 3.1Å; I438-L451 HydrophobicContact CD1-CD2 4.04Å; V448-L451 HydrophobicContact CB-CD2 4.48Å; V448-L451 HydrophobicContact CG1-CD2 4.12Å; V448-L451 HydrophobicContact CG1-CG 4.43Å; L451-H454 PolarHBondContact O-CD2 2.78Å; L451-H454 PolarHBondContact O-NE2 3.22Å
452	R	95.9	Very high	97.4	Very high	108 Å²	108	43 Å²	43	41%	0.408	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.3	-37.7	-178.7	-56.8	173.6	-66.9	-158.7	-3.4	112	Y394 T395 E400 D450	Y394-R452 HydrophobicContact CE1-CG 4.2Å; Y394-R452 WeakPolarHBondContact OH-CD 3.46Å; Y394-R452 WeakPolarHBondContact OH-CG 3.24Å; T395-R452 HydrophobicContact CG2-CG 4.46Å; E400-R452 IonicContact OE1-CZ 2.79Å; E400-R452 IonicContact OE1-NH1 3.87Å; E400-R452 PolarHBondContact OE1-NH1 3.44Å; E400-R452 IonicContact OE1-NH2 3.37Å; E400-R452 PolarHBondContact OE1-NH2 3.2Å; D450-R452 PolarHBondContact O-N 2.83Å; D450-R452 WeakPolarHBondContact OD1-CB 3.17Å; D450-R452 VanDerWaalsContact OD1-CG 3.25Å; D450-R452 WeakPolarHBondContact OD1-CG 3.24Å; D450-R452 IonicContact OD1-CZ 2.69Å; D450-R452 PolarHBondContact OD1-N 3.39Å; D450-R452 IonicContact OD1-NE 3.33Å; D450-R452 PolarHBondContact OD1-NE 3.21Å; D450-R452 IonicContact OD1-NH2 3.53Å; D450-R452 IonicContact OD2-CZ 3.74Å; D450-R452 VanDerWaalsContact OD2-CZ 3.27Å; D450-R452 IonicContact OD2-NE 3.76Å; D450-R452 PolarHBondContact OD2-NE 3.01Å; D450-R452 VanDerWaalsContact OD2-NE 3.11Å; D450-R452 IonicContact OD2-NH2 2.63Å; D450-R452 PolarHBondContact OD2-NH2 3.47Å
453	D	96.4	Very high	97.4	Very high	103 Å²	103	37.9 Å²	37.9	55%	0.551	18%	0.18	S	C	*	.	T	Hydrogen-bonded Turn	trans	-119	-0.9	-179.1	68.6	4.5	0	0	0	113.6	D450 Q455	D450-D453 WeakPolarHBondContact CB-OD1 3.42Å; D453-Q455 PolarHBondContact O-N 3.43Å; D453-Q455 VanDerWaalsContact OD1-CB 3.31Å; D453-Q455 WeakPolarHBondContact OD1-CB 3.38Å; D453-Q455 PolarHBondContact OD1-N 3.44Å
454	H	97.1	Very high	97.5	Very high	63 Å²	63	37.1 Å²	37.1	29%	0.292	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.4	30.6	-178.3	-55.8	151.1	0	0	0	113.2	F381 I438 D450 L451 L456	F381-H454 PolarHBondContact O-NE2 3.42Å; I438-H454 HydrophobicContact CB-CB 4.33Å; D450-H454 WeakPolarHBondContact O-CA 3.28Å; D450-H454 PolarHBondContact O-N 3.38Å; L451-H454 PolarHBondContact O-CD2 2.78Å; L451-H454 PolarHBondContact O-NE2 3.22Å; H454-L456 PolarHBondContact O-N 3.44Å
455	Q	97.9	Very high	97.5	Very high	95 Å²	95	37.1 Å²	37.1	44%	0.444	17%	0.174	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.2	133.7	167.8	177	169.7	87.2	0	0	110	V448 K449 D450 D453	V448-Q455 CarbonylContact C-O 3.59Å; K449-Q455 WeakPolarHBondContact CA-O 3.31Å; K449-Q455 HydrophobicContact CB-CG 4.36Å; K449-Q455 WeakPolarHBondContact CB-O 3.47Å; K449-Q455 HydrophobicContact CD-CG 4.39Å; K449-Q455 PolarHBondContact N-O 3.09Å; D450-Q455 PolarHBondContact N-O 3.38Å; D450-Q455 PolarHBondContact O-N 3.21Å; D453-Q455 PolarHBondContact O-N 3.43Å; D453-Q455 VanDerWaalsContact OD1-CB 3.31Å; D453-Q455 WeakPolarHBondContact OD1-CB 3.38Å; D453-Q455 PolarHBondContact OD1-N 3.44Å
456	L	98.3	Very high	97.4	Very high	48 Å²	48	37.1 Å²	37.1	25%	0.251	17%	0.174	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	148.4	-179.9	-63.7	178.9	0	0	0	112.3	L98 I438 T441 A446 V448 H454	L98-L456 HydrophobicContact CD1-CB 4.06Å; L98-L456 HydrophobicContact CD2-CB 4.19Å; L98-L456 HydrophobicContact CD2-CD1 3.86Å; I438-L456 WeakPolarHBondContact O-CD2 3.43Å; T441-L456 HydrophobicContact CG2-CD1 3.97Å; A446-L456 HydrophobicContact CB-CB 4.04Å; A446-L456 HydrophobicContact CB-CD1 3.99Å; A446-L456 HydrophobicContact CB-CD2 3.87Å; A446-L456 HydrophobicContact CB-CG 4.19Å; V448-L456 HydrophobicContact CG2-CD2 4.25Å; H454-L456 PolarHBondContact O-N 3.44Å
457	D	96.8	Very high	97.5	Very high	83 Å²	83	37.8 Å²	37.8	44%	0.444	18%	0.177	S	C	.	.	P	Polyproline II helix	trans	-103.2	151.2	163.7	-157.3	2.6	0	0	0	110.3	A446 S447 K449 R459	A446-D457 WeakPolarHBondContact CB-O 3.23Å; S447-D457 PolarHBondContact O-N 2.86Å; K449-D457 HydrophobicContact CB-CB 4.05Å; D457-R459 PolarHBondContact O-N 3.26Å
458	N	97.2	Very high	97.5	Very high	36 Å²	36	37.4 Å²	37.4	19%	0.193	18%	0.175	C	C	.	.	S	Bend	trans	-86.6	57.6	-172.8	-168.2	24.7	0	0	0	112.6	R96 L98 T99	R96-N458 WeakPolarHBondContact CB-OD1 3.39Å; R96-N458 VanDerWaalsContact CG-O 3.3Å; R96-N458 WeakPolarHBondContact CG-O 3.48Å; L98-N458 WeakPolarHBondContact CA-OD1 3.15Å; L98-N458 HydrophobicContact CB-CB 4.22Å; L98-N458 VanDerWaalsContact CB-OD1 3.23Å; L98-N458 WeakPolarHBondContact CB-OD1 3.31Å; L98-N458 HydrophobicContact CD1-CB 3.94Å; L98-N458 HydrophobicContact CG-CB 4.21Å; L98-N458 PolarHBondContact N-OD1 2.63Å; T99-N458 WeakPolarHBondContact CG2-ND2 3.17Å; T99-N458 PolarHBondContact N-OD1 3.43Å; T99-N458 PolarHBondContact OG1-ND2 3.18Å
459	R	96.4	Very high	97.5	Very high	65 Å²	65	37.2 Å²	37.2	25%	0.245	17%	0.174	C	C	.	.			trans	-145	142.7	180	-165.4	169.5	-175.5	-151.9	-8.6	111.2	E94 T105 A446 S447 D457 E461	E94-R459 IonicContact OE1-NH2 3.29Å; E94-R459 PolarHBondContact OE1-NH2 3.28Å; E94-R459 IonicContact OE2-CZ 3.11Å; E94-R459 IonicContact OE2-NE 2.98Å; E94-R459 PolarHBondContact OE2-NE 3.3Å; E94-R459 IonicContact OE2-NH2 3.27Å; E94-R459 PolarHBondContact OE2-NH2 3.21Å; T105-R459 VanDerWaalsContact CG2-NH2 3.29Å; A446-R459 CarbonylContact C-O 3.57Å; A446-R459 WeakPolarHBondContact CA-O 3.44Å; S447-R459 PolarHBondContact N-O 2.8Å; S447-R459 PolarHBondContact OG-O 3.4Å; D457-R459 PolarHBondContact O-N 3.26Å; R459-E461 WeakPolarHBondContact CD-OE1 3.24Å; R459-E461 IonicContact CZ-OE1 2.69Å; R459-E461 IonicContact CZ-OE2 2.85Å; R459-E461 IonicContact NE-OE1 2.9Å; R459-E461 PolarHBondContact NE-OE1 3.23Å; R459-E461 IonicContact NE-OE2 2.7Å; R459-E461 IonicContact NH1-OE1 3.33Å; R459-E461 PolarHBondContact NH1-OE1 2.96Å; R459-E461 IonicContact NH1-OE2 2.89Å; R459-E461 VanDerWaalsContact NH2-CD 3.28Å; R459-E461 IonicContact NH2-OE1 3.05Å; R459-E461 PolarHBondContact NH2-OE1 2.99Å; R459-E461 IonicContact NH2-OE2 3.54Å; R459-E461 PolarHBondContact NH2-OE2 3.11Å
460	M	97.7	Very high	97.5	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	15%	0.151	C	C	.	.	B	Isolated β-bridge	trans	-127.8	103.4	166.4	-172.6	177	85.4	0	0	107.3	A81 L95 P97 Y445 F464 L465	A81-M460 HydrophobicContact CB-CE 3.96Å; A81-M460 HydrophobicContact CB-SD 3.72Å; L95-M460 HydrophobicContact CB-CB 4.32Å; L95-M460 HydrophobicContact CB-CE 3.92Å; L95-M460 HydrophobicContact CD2-CE 3.6Å; L95-M460 HydrophobicContact CD2-SD 4.06Å; L95-M460 HydrophobicContact CG-CE 4.37Å; L95-M460 WeakPolarHBondContact O-CB 3.47Å; L95-M460 PolarHBondContact O-N 3.05Å; P97-M460 HydrophobicContact CG-CB 4.18Å; Y445-M460 WeakPolarHBondContact O-CB 3.22Å; Y445-M460 WeakPolarHBondContact O-CG 3.35Å; M460-F464 HydrophobicContact CG-CD1 4.37Å; M460-F464 HydrophobicContact SD-CD1 4.3Å; M460-L465 HydrophobicContact CE-CD1 4.27Å
461	E	95.8	Very high	97.6	Very high	24 Å²	24	31.2 Å²	31.2	11%	0.112	15%	0.146	C	C	.	.			trans	-65.7	144.8	178.8	-55.1	-92.9	177.6	0	0	110	E94 R459 F463 F464	E94-E461 WeakPolarHBondContact OE1-CA 3.35Å; R459-E461 WeakPolarHBondContact CD-OE1 3.24Å; R459-E461 IonicContact CZ-OE1 2.69Å; R459-E461 IonicContact CZ-OE2 2.85Å; R459-E461 IonicContact NE-OE1 2.9Å; R459-E461 PolarHBondContact NE-OE1 3.23Å; R459-E461 IonicContact NE-OE2 2.7Å; R459-E461 IonicContact NH1-OE1 3.33Å; R459-E461 PolarHBondContact NH1-OE1 2.96Å; R459-E461 IonicContact NH1-OE2 2.89Å; R459-E461 VanDerWaalsContact NH2-CD 3.28Å; R459-E461 IonicContact NH2-OE1 3.05Å; R459-E461 PolarHBondContact NH2-OE1 2.99Å; R459-E461 IonicContact NH2-OE2 3.54Å; R459-E461 PolarHBondContact NH2-OE2 3.11Å; E461-F463 HydrophobicContact CB-CD1 3.49Å; E461-F463 VanDerWaalsContact CB-CD1 3.49Å; E461-F463 HydrophobicContact CB-CD2 4.09Å; E461-F463 HydrophobicContact CB-CE1 3.21Å; E461-F463 HydrophobicContact CB-CE2 3.82Å; E461-F463 HydrophobicContact CB-CG 3.92Å; E461-F463 HydrophobicContact CB-CZ 3.39Å; E461-F463 HydrophobicContact CG-CD1 4.2Å; E461-F463 HydrophobicContact CG-CE1 3.41Å; E461-F463 VanDerWaalsContact CG-CE1 3.41Å; E461-F463 HydrophobicContact CG-CE2 4.18Å; E461-F463 HydrophobicContact CG-CZ 3.39Å; E461-F463 PolarHBondContact O-N 2.77Å; E461-F464 WeakPolarHBondContact O-CB 3.47Å; E461-F464 PolarHBondContact O-N 3.29Å; E461-F464 VanDerWaalsContact O-N 3.12Å
462	S	96.5	Very high	97.6	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-33.4	-178.5	57.6	0	0	0	0	112.6	E94 T112 D115 R156 F464 L465 A466	E94-S462 PolarHBondContact OE1-N 3.09Å; T112-S462 WeakPolarHBondContact OG1-CB 3.36Å; D115-S462 VanDerWaalsContact OD2-CB 3.23Å; D115-S462 WeakPolarHBondContact OD2-CB 3.27Å; D115-S462 PolarHBondContact OD2-OG 3.42Å; R156-S462 PolarHBondContact NH1-OG 3.16Å; S462-F464 PolarHBondContact O-N 3.21Å; S462-F464 VanDerWaalsContact O-N 3.11Å; S462-L465 PolarHBondContact O-N 2.65Å; S462-A466 PolarHBondContact O-N 3.36Å
463	F	97.3	Very high	97.8	Very high	13 Å²	13	26.7 Å²	26.7	6%	0.057	13%	0.129	C	C	.	.	H	α-helix	trans	-59.7	-20.9	177.1	62.4	-114.3	0	0	0	114.3	P403 E461 L465 A466 E467 T468 E514	P403-F463 HydrophobicContact CB-CZ 4.36Å; P403-F463 HydrophobicContact CG-CZ 4.49Å; P403-F463 VanDerWaalsContact O-CE2 3.25Å; P403-F463 WeakPolarHBondContact O-CE2 3.45Å; P403-F463 WeakPolarHBondContact O-CZ 3.48Å; E461-F463 HydrophobicContact CB-CD1 3.49Å; E461-F463 VanDerWaalsContact CB-CD1 3.49Å; E461-F463 HydrophobicContact CB-CD2 4.09Å; E461-F463 HydrophobicContact CB-CE1 3.21Å; E461-F463 HydrophobicContact CB-CE2 3.82Å; E461-F463 HydrophobicContact CB-CG 3.92Å; E461-F463 HydrophobicContact CB-CZ 3.39Å; E461-F463 HydrophobicContact CG-CD1 4.2Å; E461-F463 HydrophobicContact CG-CE1 3.41Å; E461-F463 VanDerWaalsContact CG-CE1 3.41Å; E461-F463 HydrophobicContact CG-CE2 4.18Å; E461-F463 HydrophobicContact CG-CZ 3.39Å; E461-F463 PolarHBondContact O-N 2.77Å; F463-L465 PolarHBondContact O-N 3.25Å; F463-A466 PolarHBondContact O-N 2.64Å; F463-E467 HydrophobicContact CB-CG 4.02Å; F463-E467 WeakPolarHBondContact CB-OE1 3.4Å; F463-E467 WeakPolarHBondContact O-CA 3.12Å; F463-E467 VanDerWaalsContact O-CB 3.29Å; F463-E467 WeakPolarHBondContact O-CB 3.47Å; F463-E467 PolarHBondContact O-N 2.84Å; F463-T468 PolarHBondContact O-N 3.31Å; F463-E514 WeakPolarHBondContact CB-OE1 3.47Å
464	F	98.6	Very high	97.8	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	10%	0.103	C	C	.	.	I	π-helix	trans	-59.4	-42.1	173.5	174.8	-113.9	0	0	0	110.9	M77 A81 L404 I435 Y445 M460 E461 S462 T468 I469	M77-F464 HydrophobicContact CE-CZ 4.29Å; A81-F464 HydrophobicContact CB-CD1 4.33Å; A81-F464 HydrophobicContact CB-CE1 4.06Å; L404-F464 HydrophobicContact CB-CB 4.27Å; L404-F464 HydrophobicContact CB-CD2 3.68Å; L404-F464 HydrophobicContact CB-CE2 4.41Å; L404-F464 HydrophobicContact CB-CG 4.23Å; L404-F464 HydrophobicContact CD1-CB 4.26Å; L404-F464 HydrophobicContact CD1-CD1 4.39Å; L404-F464 HydrophobicContact CD1-CD2 3.87Å; L404-F464 HydrophobicContact CD1-CE2 4.32Å; L404-F464 HydrophobicContact CD1-CG 3.89Å; L404-F464 HydrophobicContact CG-CD2 4.34Å; I435-F464 HydrophobicContact CG2-CE2 4.05Å; I435-F464 HydrophobicContact CG2-CZ 4.22Å; Y445-F464 HydrophobicContact CD1-CZ 4.12Å; Y445-F464 HydrophobicContact CD2-CD1 4.43Å; Y445-F464 AromaticContact CD2-CE1 3.38Å; Y445-F464 HydrophobicContact CD2-CE1 3.38Å; Y445-F464 AromaticContact CD2-CZ 3.73Å; Y445-F464 HydrophobicContact CD2-CZ 3.73Å; Y445-F464 HydrophobicContact CE2-CE1 4.08Å; Y445-F464 HydrophobicContact CE2-CZ 4.21Å; Y445-F464 AromaticContact CG-CE1 3.64Å; Y445-F464 HydrophobicContact CG-CE1 3.64Å; Y445-F464 AromaticContact CG-CZ 3.68Å; Y445-F464 HydrophobicContact CG-CZ 3.68Å; M460-F464 HydrophobicContact CG-CD1 4.37Å; M460-F464 HydrophobicContact SD-CD1 4.3Å; E461-F464 WeakPolarHBondContact O-CB 3.47Å; E461-F464 PolarHBondContact O-N 3.29Å; E461-F464 VanDerWaalsContact O-N 3.12Å; S462-F464 PolarHBondContact O-N 3.21Å; S462-F464 VanDerWaalsContact O-N 3.11Å; F464-T468 HydrophobicContact CD2-CG2 3.98Å; F464-T468 HydrophobicContact CE2-CG2 4.03Å; F464-I469 HydrophobicContact CE1-CD1 4.38Å; F464-I469 HydrophobicContact CE1-CG1 4.25Å; F464-I469 HydrophobicContact CE2-CD1 4.3Å; F464-I469 HydrophobicContact CE2-CG1 4.35Å; F464-I469 HydrophobicContact CZ-CD1 3.89Å; F464-I469 HydrophobicContact CZ-CG1 4.11Å; F464-I469 WeakPolarHBondContact O-CG1 3.29Å; F464-I469 PolarHBondContact O-N 3.33Å; F464-I469 VanDerWaalsContact O-N 3.1Å
465	L	98.4	Very high	97.9	Very high	1 Å²	1	18.9 Å²	18.9	1%	0.005	9%	0.09	C	C	.	.	I	π-helix	trans	-76.5	-44	176.1	-69.8	174.5	0	0	0	111.4	F78 A81 Y82 T112 A116 T119 M460 S462 F463	F78-L465 HydrophobicContact CD2-CB 4.49Å; F78-L465 HydrophobicContact CD2-CD2 3.51Å; F78-L465 HydrophobicContact CE2-CB 4.14Å; F78-L465 HydrophobicContact CE2-CD2 3.76Å; F78-L465 HydrophobicContact CE2-CG 4.48Å; F78-L465 HydrophobicContact CG-CD2 4.19Å; A81-L465 HydrophobicContact CB-CD2 3.64Å; A81-L465 HydrophobicContact CB-CG 4.34Å; Y82-L465 HydrophobicContact CD2-CD1 4.44Å; T112-L465 HydrophobicContact CG2-CD1 3.67Å; A116-L465 HydrophobicContact CB-CB 4.09Å; A116-L465 HydrophobicContact CB-CD1 4.38Å; T119-L465 WeakPolarHBondContact CG2-O 3.36Å; T119-L465 PolarHBondContact OG1-O 3.05Å; M460-L465 HydrophobicContact CE-CD1 4.27Å; S462-L465 PolarHBondContact O-N 2.65Å; F463-L465 PolarHBondContact O-N 3.25Å
466	A	97.9	Very high	97.9	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	7%	0.069	C	C	.	.	I	π-helix	trans	-72.1	-34.1	-174.1	0	0	0	0	0	113.7	D115 S462 F463 K470	D115-A466 HydrophobicContact CB-CB 3.95Å; D115-A466 WeakPolarHBondContact O-CB 3.5Å; S462-A466 PolarHBondContact O-N 3.36Å; F463-A466 PolarHBondContact O-N 2.64Å; A466-K470 WeakPolarHBondContact O-CB 3.4Å; A466-K470 WeakPolarHBondContact O-CD 3.36Å; A466-K470 WeakPolarHBondContact O-CE 3.46Å; A466-K470 PolarHBondContact O-NZ 2.78Å
467	E	98.6	Very high	97.8	Very high	13 Å²	13	13 Å²	13	6%	0.061	6%	0.062	C	C	.	.	I	π-helix	trans	-120.4	-64.4	-167.5	-52.2	-161.2	-100.2	0	0	111.7	P406 F463 I469 K470 Y471 E514 A515	P406-E467 HydrophobicContact CB-CB 3.45Å; P406-E467 VanDerWaalsContact CB-CB 3.45Å; P406-E467 HydrophobicContact CG-CB 3.67Å; P406-E467 HydrophobicContact CG-CG 4.3Å; F463-E467 HydrophobicContact CB-CG 4.02Å; F463-E467 WeakPolarHBondContact CB-OE1 3.4Å; F463-E467 WeakPolarHBondContact O-CA 3.12Å; F463-E467 VanDerWaalsContact O-CB 3.29Å; F463-E467 WeakPolarHBondContact O-CB 3.47Å; F463-E467 PolarHBondContact O-N 2.84Å; E467-I469 PolarHBondContact O-N 2.94Å; E467-K470 WeakPolarHBondContact O-CB 3.43Å; E467-K470 PolarHBondContact O-N 3.29Å; E467-Y471 HydrophobicContact CB-CD2 4.28Å; E467-Y471 HydrophobicContact CB-CE2 4.11Å; E467-Y471 VanDerWaalsContact O-CD2 3.31Å; E467-Y471 WeakPolarHBondContact O-CD2 3.24Å; E467-Y471 PolarHBondContact O-N 3.14Å; E467-E514 WeakPolarHBondContact OE2-CA 3.35Å; E467-A515 HydrophobicContact CB-CB 3.96Å; E467-A515 HydrophobicContact CG-CB 3.7Å; E467-A515 PolarHBondContact OE2-N 2.81Å
468	T	98.7	Very high	97.4	Very high	0 Å²	0	11.3 Å²	11.3	0%	0	6%	0.055	C	C	.	.	I	π-helix	trans	-58.3	-48.5	-171.3	-63.3	0	0	0	0	111.3	L404 P406 M409 I435 F463 F464 L472	L404-T468 PolarHBondContact O-OG1 3.37Å; P406-T468 WeakPolarHBondContact CA-OG1 3.31Å; P406-T468 WeakPolarHBondContact CB-OG1 3.26Å; M409-T468 HydrophobicContact CE-CG2 3.77Å; M409-T468 HydrophobicContact SD-CG2 4.48Å; I435-T468 HydrophobicContact CD1-CG2 4.01Å; F463-T468 PolarHBondContact O-N 3.31Å; F464-T468 HydrophobicContact CD2-CG2 3.98Å; F464-T468 HydrophobicContact CE2-CG2 4.03Å; T468-L472 HydrophobicContact CG2-CD1 4.14Å; T468-L472 WeakPolarHBondContact O-CB 3.47Å; T468-L472 WeakPolarHBondContact O-CD1 3.19Å; T468-L472 WeakPolarHBondContact O-CG 3.48Å; T468-L472 PolarHBondContact O-N 2.83Å; T468-L472 VanDerWaalsContact O-N 3.16Å
469	I	98.7	Very high	97	Very high	0 Å²	0	12.8 Å²	12.8	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-64.8	-43.5	174.8	-69.1	-63.8	0	0	0	111.7	I74 M77 F78 L123 F464 E467 L472 Y473	I74-I469 HydrophobicContact CG2-CD1 4.26Å; I74-I469 HydrophobicContact CG2-CG2 3.84Å; M77-I469 HydrophobicContact CB-CD1 3.73Å; M77-I469 HydrophobicContact CE-CD1 4.21Å; F78-I469 HydrophobicContact CB-CG2 3.9Å; F78-I469 HydrophobicContact CD2-CB 4.44Å; F78-I469 HydrophobicContact CD2-CG2 3.81Å; F78-I469 HydrophobicContact CG-CG2 4.28Å; L123-I469 HydrophobicContact CD1-CG2 4.33Å; F464-I469 HydrophobicContact CE1-CD1 4.38Å; F464-I469 HydrophobicContact CE1-CG1 4.25Å; F464-I469 HydrophobicContact CE2-CD1 4.3Å; F464-I469 HydrophobicContact CE2-CG1 4.35Å; F464-I469 HydrophobicContact CZ-CD1 3.89Å; F464-I469 HydrophobicContact CZ-CG1 4.11Å; F464-I469 WeakPolarHBondContact O-CG1 3.29Å; F464-I469 PolarHBondContact O-N 3.33Å; F464-I469 VanDerWaalsContact O-N 3.1Å; E467-I469 PolarHBondContact O-N 2.94Å; I469-L472 PolarHBondContact O-N 2.9Å; I469-Y473 WeakPolarHBondContact O-CB 3.26Å; I469-Y473 PolarHBondContact O-N 3.33Å
470	K	98.7	Very high	96.7	Very high	0 Å²	0	10.4 Å²	10.4	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-62	-50.7	-176.4	-174.8	-174.2	-70.5	153.2	0	111	D118 T119 V122 A466 E467 Y473 L474 F511 A515	D118-K470 VanDerWaalsContact OD1-CE 3.29Å; D118-K470 WeakPolarHBondContact OD1-CE 3.49Å; D118-K470 IonicContact OD1-NZ 3.43Å; D118-K470 PolarHBondContact OD1-NZ 2.9Å; D118-K470 IonicContact OD2-NZ 3.16Å; D118-K470 PolarHBondContact OD2-NZ 3.44Å; T119-K470 HydrophobicContact CG2-CB 4.32Å; T119-K470 WeakPolarHBondContact OG1-CE 3.17Å; T119-K470 PolarHBondContact OG1-NZ 3.03Å; V122-K470 HydrophobicContact CG1-CG 4.26Å; V122-K470 HydrophobicContact CG2-CG 4.39Å; A466-K470 WeakPolarHBondContact O-CB 3.4Å; A466-K470 WeakPolarHBondContact O-CD 3.36Å; A466-K470 WeakPolarHBondContact O-CE 3.46Å; A466-K470 PolarHBondContact O-NZ 2.78Å; E467-K470 WeakPolarHBondContact O-CB 3.43Å; E467-K470 PolarHBondContact O-N 3.29Å; K470-Y473 PolarHBondContact O-N 3.46Å; K470-L474 HydrophobicContact CG-CD1 4.05Å; K470-L474 WeakPolarHBondContact O-CB 3.3Å; K470-L474 VanDerWaalsContact O-CG 3.27Å; K470-L474 WeakPolarHBondContact O-CG 3.29Å; K470-L474 PolarHBondContact O-N 3.24Å; K470-F511 HydrophobicContact CD-CE1 4.28Å; K470-A515 HydrophobicContact CD-CB 3.95Å; K470-A515 WeakPolarHBondContact CD-O 3.16Å; K470-A515 WeakPolarHBondContact CE-O 3.44Å; K470-A515 PolarHBondContact NZ-O 3.34Å
471	Y	98.8	Very high	96.2	Very high	1 Å²	1	11.1 Å²	11.1	0%	0.004	6%	0.063	C	C	.	.	H	α-helix	trans	-65.9	-40.3	178.8	-67.2	-50.3	0	0	0	112.5	P406 E410 M413 E467 Y473 L474 L475 F511 A515	P406-Y471 HydrophobicContact CB-CD2 4.11Å; P406-Y471 HydrophobicContact CB-CE2 4.36Å; E410-Y471 HydrophobicContact CB-CD1 4.33Å; E410-Y471 HydrophobicContact CB-CD2 3.76Å; E410-Y471 HydrophobicContact CB-CE1 4.25Å; E410-Y471 HydrophobicContact CB-CE2 3.66Å; E410-Y471 HydrophobicContact CB-CG 4.09Å; E410-Y471 HydrophobicContact CG-CD1 4.35Å; E410-Y471 HydrophobicContact CG-CD2 4.42Å; E410-Y471 HydrophobicContact CG-CE1 3.89Å; E410-Y471 HydrophobicContact CG-CE2 3.95Å; M413-Y471 HydrophobicContact CE-CD1 4Å; M413-Y471 HydrophobicContact CE-CE1 4.16Å; E467-Y471 HydrophobicContact CB-CD2 4.28Å; E467-Y471 HydrophobicContact CB-CE2 4.11Å; E467-Y471 VanDerWaalsContact O-CD2 3.31Å; E467-Y471 WeakPolarHBondContact O-CD2 3.24Å; E467-Y471 PolarHBondContact O-N 3.14Å; Y471-Y473 VanDerWaalsContact C-N 3.33Å; Y471-Y473 PolarHBondContact O-N 2.92Å; Y471-L474 PolarHBondContact O-N 3.17Å; Y471-L475 VanDerWaalsContact O-CB 3.23Å; Y471-L475 WeakPolarHBondContact O-CB 3.21Å; Y471-L475 PolarHBondContact O-N 3.02Å; Y471-F511 HydrophobicContact CE1-CD1 4.22Å; Y471-F511 HydrophobicContact CE1-CG 4.4Å; Y471-A515 HydrophobicContact CD2-CB 4.38Å; Y471-A515 HydrophobicContact CE1-CB 4Å; Y471-A515 HydrophobicContact CE2-CB 3.53Å; Y471-A515 VanDerWaalsContact OH-CA 3.31Å; Y471-A515 WeakPolarHBondContact OH-CA 3.48Å; Y471-A515 WeakPolarHBondContact OH-CB 3.35Å
472	L	98.8	Very high	95.9	Very high	0 Å²	0	10 Å²	10	0%	0	6%	0.058	C	C	.	.	H	α-helix	trans	-60	-45.3	172.7	-74.3	171.6	0	0	0	111	I74 M409 A431 V432 T468 I469 L475 F476	I74-L472 HydrophobicContact CD1-CB 3.83Å; I74-L472 HydrophobicContact CG1-CB 4.26Å; I74-L472 HydrophobicContact CG2-CB 4.38Å; M409-L472 HydrophobicContact CB-CD2 4.34Å; M409-L472 HydrophobicContact CB-CG 4.33Å; M409-L472 HydrophobicContact CG-CD1 4.42Å; M409-L472 HydrophobicContact CG-CD2 3.72Å; M409-L472 HydrophobicContact CG-CG 3.83Å; A431-L472 HydrophobicContact CB-CD2 4.21Å; V432-L472 HydrophobicContact CG2-CD1 4.01Å; V432-L472 HydrophobicContact CG2-CD2 4.32Å; T468-L472 HydrophobicContact CG2-CD1 4.14Å; T468-L472 WeakPolarHBondContact O-CB 3.47Å; T468-L472 WeakPolarHBondContact O-CD1 3.19Å; T468-L472 WeakPolarHBondContact O-CG 3.48Å; T468-L472 PolarHBondContact O-N 2.83Å; T468-L472 VanDerWaalsContact O-N 3.16Å; I469-L472 PolarHBondContact O-N 2.9Å; L472-L475 PolarHBondContact O-N 2.89Å; L472-F476 VanDerWaalsContact O-CD2 3.24Å; L472-F476 WeakPolarHBondContact O-CD2 3.42Å; L472-F476 PolarHBondContact O-N 3.37Å
473	Y	98.8	Very high	95.3	Very high	15 Å²	15	10.1 Å²	10.1	6%	0.059	6%	0.059	C	C	.	.	H	α-helix	trans	-61.6	-47.6	179.1	-174.2	-96.7	0	0	0	111.7	R71 I74 K75 V122 L123 I469 K470 Y471 F476 D477	R71-Y473 HydrophobicContact CB-CD2 4.27Å; R71-Y473 HydrophobicContact CB-CE2 3.84Å; R71-Y473 HydrophobicContact CG-CD2 4.35Å; R71-Y473 HydrophobicContact CG-CE2 4.08Å; I74-Y473 HydrophobicContact CG2-CD2 4.38Å; K75-Y473 HydrophobicContact CD-CE2 4.1Å; K75-Y473 WeakPolarHBondContact CE-OH 3.2Å; K75-Y473 HydrophobicContact CG-CD2 4.28Å; K75-Y473 HydrophobicContact CG-CE2 3.9Å; K75-Y473 PolarHBondContact NZ-OH 2.88Å; V122-Y473 HydrophobicContact CG1-CD1 3.85Å; V122-Y473 HydrophobicContact CG1-CE1 4.4Å; V122-Y473 VanDerWaalsContact O-CE1 3.32Å; V122-Y473 WeakPolarHBondContact O-CE1 3.05Å; L123-Y473 HydrophobicContact CD2-CD1 3.78Å; L123-Y473 HydrophobicContact CD2-CD2 3.36Å; L123-Y473 HydrophobicContact CD2-CE1 4.19Å; L123-Y473 HydrophobicContact CD2-CE2 3.83Å; L123-Y473 HydrophobicContact CD2-CG 3.33Å; I469-Y473 WeakPolarHBondContact O-CB 3.26Å; I469-Y473 PolarHBondContact O-N 3.33Å; K470-Y473 PolarHBondContact O-N 3.46Å; Y471-Y473 VanDerWaalsContact C-N 3.33Å; Y471-Y473 PolarHBondContact O-N 2.92Å; Y473-F476 CarbonylContact O-C 3.6Å; Y473-F476 PolarHBondContact O-N 3.49Å; Y473-D477 HydrophobicContact CE1-CB 4.34Å; Y473-D477 PolarHBondContact O-N 3Å; Y473-D477 VanDerWaalsContact O-N 3.15Å
474	L	97.9	Very high	93.8	Very high	1 Å²	1	9.9 Å²	9.9	1%	0.005	6%	0.06	C	C	.	.	H	α-helix	trans	-65.6	-36.1	179.9	-72	176.3	0	0	0	113	V122 M413 K470 Y471 F476 D477 H480 L482 H483 F511	V122-L474 HydrophobicContact CG1-CD2 3.98Å; V122-L474 HydrophobicContact CG1-CG 4.19Å; M413-L474 HydrophobicContact CG-CB 4.21Å; K470-L474 HydrophobicContact CG-CD1 4.05Å; K470-L474 WeakPolarHBondContact O-CB 3.3Å; K470-L474 VanDerWaalsContact O-CG 3.27Å; K470-L474 WeakPolarHBondContact O-CG 3.29Å; K470-L474 PolarHBondContact O-N 3.24Å; Y471-L474 PolarHBondContact O-N 3.17Å; L474-F476 PolarHBondContact O-N 3.26Å; L474-D477 CarbonylContact O-C 3.46Å; L474-D477 PolarHBondContact O-N 3.46Å; L474-D477 VanDerWaalsContact O-N 3.13Å; L474-H480 HydrophobicContact CD2-CB 3.92Å; L474-H480 VanDerWaalsContact CD2-ND1 3.3Å; L474-H480 WeakPolarHBondContact CD2-ND1 3.37Å; L474-L482 HydrophobicContact CD1-CD1 4.33Å; L474-L482 HydrophobicContact CD2-CB 4.41Å; L474-L482 HydrophobicContact CD2-CD1 4.32Å; L474-H483 PolarHBondContact O-NE2 2.76Å; L474-F511 HydrophobicContact CD1-CE1 3.95Å; L474-F511 HydrophobicContact CD1-CZ 3.72Å
475	L	98.2	Very high	91.5	Very high	2 Å²	2	10.6 Å²	10.6	1%	0.01	7%	0.067	C	C	.	.	H	α-helix	trans	-57.9	-40.1	174.4	169.7	61.3	0	0	0	111.1	A412 M413 F416 L425 Y471 L472	A412-L475 HydrophobicContact CB-CD2 4.11Å; M413-L475 HydrophobicContact CB-CB 4.18Å; M413-L475 HydrophobicContact CG-CB 4.45Å; F416-L475 HydrophobicContact CB-CD1 3.62Å; F416-L475 HydrophobicContact CD1-CD1 3.94Å; F416-L475 HydrophobicContact CG-CD1 3.95Å; L425-L475 HydrophobicContact CD2-CD1 3.78Å; L425-L475 HydrophobicContact CD2-CG 3.89Å; L425-L475 VanDerWaalsContact CD2-O 3.27Å; L425-L475 WeakPolarHBondContact CD2-O 3.46Å; Y471-L475 VanDerWaalsContact O-CB 3.23Å; Y471-L475 WeakPolarHBondContact O-CB 3.21Å; Y471-L475 PolarHBondContact O-N 3.02Å; L472-L475 PolarHBondContact O-N 2.89Å
476	F	98.1	Very high	89.2	Confident	0 Å²	0	13.9 Å²	13.9	0%	0	10%	0.101	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.7	1.8	178	-70.1	-75.2	0	0	0	114	F62 M67 V70 R71 I74 L425 L429 L472 Y473 L474	F62-F476 HydrophobicContact CD1-CE1 4.36Å; F62-F476 HydrophobicContact CE1-CE1 4.2Å; M67-F476 HydrophobicContact CB-CB 4.47Å; M67-F476 HydrophobicContact CB-CD1 4.21Å; M67-F476 HydrophobicContact CG-CD1 4.04Å; V70-F476 HydrophobicContact CB-CD1 4.12Å; V70-F476 HydrophobicContact CB-CD2 4.28Å; V70-F476 HydrophobicContact CB-CE1 4.18Å; V70-F476 HydrophobicContact CB-CE2 4.36Å; V70-F476 HydrophobicContact CB-CG 4.17Å; V70-F476 HydrophobicContact CB-CZ 4.31Å; V70-F476 HydrophobicContact CG1-CD1 4.2Å; V70-F476 HydrophobicContact CG1-CD2 3.58Å; V70-F476 HydrophobicContact CG1-CE1 4.04Å; V70-F476 HydrophobicContact CG1-CE2 3.43Å; V70-F476 VanDerWaalsContact CG1-CE2 3.43Å; V70-F476 HydrophobicContact CG1-CG 3.99Å; V70-F476 HydrophobicContact CG1-CZ 3.67Å; V70-F476 HydrophobicContact CG2-CE1 4.32Å; R71-F476 VanDerWaalsContact CD-O 3.24Å; R71-F476 WeakPolarHBondContact CD-O 3.15Å; R71-F476 HydrophobicContact CG-CB 3.62Å; R71-F476 PolarHBondContact NH1-O 3.33Å; I74-F476 HydrophobicContact CD1-CD2 3.66Å; I74-F476 HydrophobicContact CD1-CE2 4.21Å; L425-F476 HydrophobicContact CB-CE1 4.03Å; L425-F476 HydrophobicContact CD2-CD1 3.72Å; L425-F476 HydrophobicContact CD2-CE1 3.8Å; L425-F476 HydrophobicContact CD2-CG 4.39Å; L425-F476 HydrophobicContact CG-CE1 4.49Å; L425-F476 VanDerWaalsContact O-CZ 3.27Å; L425-F476 WeakPolarHBondContact O-CZ 3.46Å; L429-F476 HydrophobicContact CB-CZ 4.35Å; L472-F476 VanDerWaalsContact O-CD2 3.24Å; L472-F476 WeakPolarHBondContact O-CD2 3.42Å; L472-F476 PolarHBondContact O-N 3.37Å; Y473-F476 CarbonylContact O-C 3.6Å; Y473-F476 PolarHBondContact O-N 3.49Å; L474-F476 PolarHBondContact O-N 3.26Å
477	D	95.5	Very high	86.4	Confident	19 Å²	19	23.4 Å²	23.4	10%	0.102	15%	0.148	C	C	.	.			trans	-123.4	74.1	177.2	-164.7	-9.9	0	0	0	111.1	Y473 L474 S479 H480 H483	Y473-D477 HydrophobicContact CE1-CB 4.34Å; Y473-D477 PolarHBondContact O-N 3Å; Y473-D477 VanDerWaalsContact O-N 3.15Å; L474-D477 CarbonylContact O-C 3.46Å; L474-D477 PolarHBondContact O-N 3.46Å; L474-D477 VanDerWaalsContact O-N 3.13Å; D477-S479 PolarHBondContact O-N 3.24Å; D477-S479 VanDerWaalsContact O-N 3.11Å; D477-S479 PolarHBondContact OD1-OG 3.38Å; D477-H480 HydrophobicContact CB-CB 4.02Å; D477-H480 VanDerWaalsContact O-CB 3.24Å; D477-H480 WeakPolarHBondContact O-CB 3.4Å; D477-H480 PolarHBondContact O-N 3.36Å; D477-H480 PolarHBondContact OD1-N 2.92Å; D477-H480 IonicContact OD2-CD2 2.72Å; D477-H483 PolarHBondContact O-CD2 2.95Å; D477-H483 PolarHBondContact O-NE2 2.89Å
478	P	89.4	Confident	83.9	Confident	47 Å²	47	27.2 Å²	27.2	31%	0.305	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-20.8	-176.2	24.9	-33.6	0	0	0	113.4	M67 F416	M67-P478 HydrophobicContact CE-CG 4.44Å; F416-P478 HydrophobicContact CE1-CB 4.28Å
479	S	87.5	Confident	81.9	Confident	67 Å²	67	28.4 Å²	28.4	47%	0.469	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.5	-0.5	177.8	55.5	0	0	0	0	114.5	D477 G489 D490	D477-S479 PolarHBondContact O-N 3.24Å; D477-S479 VanDerWaalsContact O-N 3.11Å; D477-S479 PolarHBondContact OD1-OG 3.38Å; S479-G489 CarbonylContact O-C 3.23Å; S479-D490 PolarHBondContact O-N 2.84Å
480	H	91.2	Very high	80	Confident	15 Å²	15	32.6 Å²	32.6	7%	0.069	20%	0.201	C	C	.	.			trans	-59.4	143.2	-175.4	-166.1	-92.6	0	0	0	112	V122 L474 D477 L482 H483	V122-H480 PolarHBondContact O-NE2 2.79Å; V122-H480 VanDerWaalsContact O-NE2 3.13Å; L474-H480 HydrophobicContact CD2-CB 3.92Å; L474-H480 VanDerWaalsContact CD2-ND1 3.3Å; L474-H480 WeakPolarHBondContact CD2-ND1 3.37Å; D477-H480 HydrophobicContact CB-CB 4.02Å; D477-H480 VanDerWaalsContact O-CB 3.24Å; D477-H480 WeakPolarHBondContact O-CB 3.4Å; D477-H480 PolarHBondContact O-N 3.36Å; D477-H480 PolarHBondContact OD1-N 2.92Å; D477-H480 IonicContact OD2-CD2 2.72Å; H480-L482 PolarHBondContact ND1-N 2.95Å; H480-L482 PolarHBondContact O-N 2.79Å; H480-L482 VanDerWaalsContact O-N 3.14Å; H480-H483 WeakPolarHBondContact O-CA 3.49Å; H480-H483 WeakPolarHBondContact O-CB 3.32Å; H480-H483 PolarHBondContact O-N 3.22Å
481	F	86.8	Confident	78	Confident	15 Å²	15	35.9 Å²	35.9	7%	0.066	24%	0.235	C	C	.	.	G	3₁₀ helix	trans	-60.6	-28.9	-174.9	75.4	-93.6	0	0	0	114	L121 L167 R170 H483 G484 D490 F509	L121-F481 HydrophobicContact CD2-CZ 4.48Å; L167-F481 HydrophobicContact CD2-CE2 3.9Å; L167-F481 HydrophobicContact CD2-CZ 4.14Å; R170-F481 VanDerWaalsContact CD-CE2 3.45Å; R170-F481 VanDerWaalsContact CD-CZ 3.46Å; R170-F481 VanDerWaalsContact CZ-CD2 3.4Å; F481-H483 PolarHBondContact O-N 3.42Å; F481-G484 WeakPolarHBondContact O-CA 3.48Å; F481-G484 PolarHBondContact O-N 2.67Å; F481-D490 WeakPolarHBondContact CB-OD2 3.28Å; F481-F509 HydrophobicContact CD2-CE2 4.24Å; F481-F509 HydrophobicContact CD2-CZ 4.44Å; F481-F509 HydrophobicContact CE2-CE2 4.46Å; F481-F509 HydrophobicContact CE2-CZ 4.3Å
482	L	89.1	Confident	76.2	Confident	2 Å²	2	37.7 Å²	37.7	1%	0.01	25%	0.247	C	C	.	.	G	3₁₀ helix	trans	-66.4	-20	175	-69.4	178.7	0	0	0	113	V122 L474 H480 G484 F509 F511 P517	V122-L482 HydrophobicContact CG2-CD1 3.55Å; L474-L482 HydrophobicContact CD1-CD1 4.33Å; L474-L482 HydrophobicContact CD2-CB 4.41Å; L474-L482 HydrophobicContact CD2-CD1 4.32Å; H480-L482 PolarHBondContact ND1-N 2.95Å; H480-L482 PolarHBondContact O-N 2.79Å; H480-L482 VanDerWaalsContact O-N 3.14Å; L482-G484 VanDerWaalsContact C-N 3.27Å; L482-F509 HydrophobicContact CD2-CB 4.28Å; L482-F509 HydrophobicContact CD2-CD1 3.75Å; L482-F509 HydrophobicContact CD2-CD2 3.67Å; L482-F509 HydrophobicContact CD2-CE1 3.89Å; L482-F509 HydrophobicContact CD2-CE2 3.83Å; L482-F509 HydrophobicContact CD2-CG 3.63Å; L482-F509 HydrophobicContact CD2-CZ 3.93Å; L482-F511 HydrophobicContact CB-CZ 4.24Å; L482-F511 HydrophobicContact CD1-CE1 4.21Å; L482-F511 HydrophobicContact CD1-CZ 4.03Å; L482-P517 HydrophobicContact CD1-CB 4.37Å; L482-P517 HydrophobicContact CD1-CG 4.11Å; L482-P517 HydrophobicContact CD2-CB 3.82Å; L482-P517 HydrophobicContact CD2-CG 3.99Å
483	H	85.4	Confident	74.7	Confident	2 Å²	2	45.5 Å²	45.5	1%	0.009	28%	0.277	C	S	.	.	G	3₁₀ helix	trans	-83.3	-7.9	170.8	-58.1	-40.5	0	0	0	112.6	R417 L474 D477 H480 F481	R417-H483 WeakPolarHBondContact CD-ND1 3.35Å; R417-H483 PolarHBondContact NE-ND1 3.25Å; R417-H483 PolarHBondContact NH1-ND1 2.87Å; R417-H483 PolarHBondContact NH2-O 3.24Å; L474-H483 PolarHBondContact O-NE2 2.76Å; D477-H483 PolarHBondContact O-CD2 2.95Å; D477-H483 PolarHBondContact O-NE2 2.89Å; H480-H483 WeakPolarHBondContact O-CA 3.49Å; H480-H483 WeakPolarHBondContact O-CB 3.32Å; H480-H483 PolarHBondContact O-N 3.22Å; F481-H483 PolarHBondContact O-N 3.42Å
484	G	64.4	Low	73.3	Confident	8 Å²	8	47.2 Å²	47.2	8%	0.082	29%	0.286	C	S	.	.			trans	-50	139.9	-179.9	0	0	0	0	0	112	F481 L482 E488 G507 G508	F481-G484 WeakPolarHBondContact O-CA 3.48Å; F481-G484 PolarHBondContact O-N 2.67Å; L482-G484 VanDerWaalsContact C-N 3.27Å; G484-E488 WeakPolarHBondContact CA-O 3.49Å; G484-G507 CarbonylContact O-C 3.59Å; G484-G507 VanDerWaalsContact O-C 3.25Å; G484-G507 WeakPolarHBondContact O-CA 3.11Å; G484-G508 PolarHBondContact O-N 2.9Å
485	G	51.7	Low	71.6	Confident	14 Å²	14	49.1 Å²	49.1	14%	0.144	31%	0.306	C	S	.	.	B	Isolated β-bridge	trans	159	96	179.1	0	0	0	0	0	110.5	E488 I622	G485-E488 PolarHBondContact N-O 3.02Å; G485-I622 VanDerWaalsContact O-CD1 3.25Å; G485-I622 WeakPolarHBondContact O-CD1 3.35Å; G485-I622 WeakPolarHBondContact O-CG1 3.38Å
486	G	50.2	Low	70.1	Confident	71 Å²	71	49.2 Å²	49.2	73%	0.732	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.3	-118.5	-176.6	0	0	0	0	0	113.6
487	M	37.3	Very low	68.6	Low	200 Å²	200	50.2 Å²	50.2	99%	0.985	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.1	-0.1	-178.5	-65.9	-134	-63.2	0	0	114.2
488	E	47.7	Very low	66.8	Low	92 Å²	92	53.9 Å²	53.9	43%	0.43	35%	0.351	S	S	.	.	B	Isolated β-bridge	trans	-110.4	156.7	-178.1	-64.2	-179.2	178.3	0	0	111.5	G484 G485	G484-E488 WeakPolarHBondContact CA-O 3.49Å; G485-E488 PolarHBondContact N-O 3.02Å
489	G	55.6	Low	65.2	Low	26 Å²	26	56.4 Å²	56.4	27%	0.268	37%	0.369	S	S	.	.	S	Bend	trans	95.3	-170.3	-176	0	0	0	0	0	114.6	S479 G491	S479-G489 CarbonylContact O-C 3.23Å; G489-G491 VanDerWaalsContact C-N 3.3Å
490	D	58	Low	63.8	Low	87 Å²	87	55.4 Å²	55.4	47%	0.465	37%	0.37	S	S	.	.			trans	-84.8	-2.4	179.4	72.5	-4.5	0	0	0	113.6	R170 S479 F481 S492	R170-D490 IonicContact NH1-OD2 3.32Å; R170-D490 PolarHBondContact NH1-OD2 3.15Å; S479-D490 PolarHBondContact O-N 2.84Å; F481-D490 WeakPolarHBondContact CB-OD2 3.28Å; D490-S492 PolarHBondContact O-N 3.48Å; D490-S492 VanDerWaalsContact OD1-CB 3.29Å; D490-S492 WeakPolarHBondContact OD1-CB 3.35Å; D490-S492 PolarHBondContact OD1-N 3.31Å; D490-S492 PolarHBondContact OD1-OG 3.16Å; D490-S492 PolarHBondContact OD2-OG 2.98Å
491	G	56.9	Low	62.6	Low	69 Å²	69	59.7 Å²	59.7	71%	0.711	39%	0.39	S	S	*	.			trans	68.7	9.7	-179.3	0	0	0	0	0	114.9	G489	G489-G491 VanDerWaalsContact C-N 3.3Å
492	S	61.8	Low	61.9	Low	39 Å²	39	59.1 Å²	59.1	27%	0.273	39%	0.387	S	S	.	.			trans	-82.9	142.6	-178.2	67	0	0	0	0	112.2	R170 D490	R170-S492 VanDerWaalsContact CZ-OG 3.25Å; R170-S492 PolarHBondContact NH1-OG 3.04Å; R170-S492 PolarHBondContact NH2-O 3.29Å; R170-S492 PolarHBondContact NH2-OG 3.26Å; D490-S492 PolarHBondContact O-N 3.48Å; D490-S492 VanDerWaalsContact OD1-CB 3.29Å; D490-S492 WeakPolarHBondContact OD1-CB 3.35Å; D490-S492 PolarHBondContact OD1-N 3.31Å; D490-S492 PolarHBondContact OD1-OG 3.16Å; D490-S492 PolarHBondContact OD2-OG 2.98Å
493	W	67.1	Low	61.3	Low	165 Å²	165	62.8 Å²	62.8	63%	0.625	41%	0.41	S	S	*	.			trans	-141.4	161.2	174.4	60.8	-90.5	0	0	0	109.7	V503 L504 A506	W493-V503 HydrophobicContact CB-CG1 3.99Å; W493-V503 HydrophobicContact CD2-CG1 4.17Å; W493-V503 HydrophobicContact CE3-CG1 4.03Å; W493-V503 HydrophobicContact CG-CG1 4.16Å; W493-L504 CarbonylContact C-O 3.59Å; W493-L504 VanDerWaalsContact CA-O 3.25Å; W493-L504 WeakPolarHBondContact CA-O 3.45Å; W493-L504 WeakPolarHBondContact CB-O 3.31Å; W493-A506 HydrophobicContact CB-CB 4.44Å
494	E	69.1	Low	61.1	Low	50 Å²	50	63 Å²	63	23%	0.234	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	143.4	-179.4	-66.7	-179.5	177.7	0	0	111.5	R170 L504	R170-E494 WeakPolarHBondContact CA-OE1 3.22Å; R170-E494 VanDerWaalsContact CB-OE1 3.23Å; R170-E494 WeakPolarHBondContact CB-OE1 3.48Å; R170-E494 PolarHBondContact N-OE1 2.81Å; R170-E494 PolarHBondContact N-OE2 3Å; E494-L504 PolarHBondContact N-O 3.29Å; E494-L504 PolarHBondContact O-N 3.25Å
495	G	61.5	Low	61.4	Low	42 Å²	42	62.9 Å²	62.9	43%	0.433	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	135	172.8	0	0	0	0	0	110.8	C502	G495-C502 CarbonylContact C-O 3.54Å; G495-C502 WeakPolarHBondContact CA-O 3.4Å
496	G	68.3	Low	62	Low	4 Å²	4	65 Å²	65	4%	0.041	43%	0.427	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	166.4	173.1	0	0	0	0	0	113.4	G500 Q501 C502	G496-G500 CarbonylContact O-C 3.57Å; G496-G500 VanDerWaalsContact O-C 3.23Å; G496-G500 WeakPolarHBondContact O-CA 3.23Å; G496-G500 PolarHBondContact O-N 2.84Å; G496-Q501 PolarHBondContact O-N 3.24Å; G496-C502 PolarHBondContact N-O 3.31Å; G496-C502 PolarHBondContact O-N 2.89Å
497	G	65.1	Low	62.8	Low	21 Å²	21	62.3 Å²	62.3	22%	0.216	40%	0.398	C	S	.	.	T	Hydrogen-bonded Turn	trans	86.3	169.2	-179.6	0	0	0	0	0	113.6	W179 S499 G500	W179-G497 VanDerWaalsContact O-CA 3.32Å; W179-G497 WeakPolarHBondContact O-CA 3.28Å; W179-G497 PolarHBondContact O-N 2.87Å; G497-S499 PolarHBondContact O-N 2.81Å; G497-G500 PolarHBondContact O-N 2.98Å
498	A	59.2	Low	64.7	Low	96 Å²	96	53.1 Å²	53.1	79%	0.793	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	-9.8	-175.7	0	0	0	0	0	115.1
499	S	56	Low	66.7	Low	99 Å²	99	49.5 Å²	49.5	69%	0.692	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-143	20	177.4	-48.3	0	0	0	0	113.5	G497 Q501	G497-S499 PolarHBondContact O-N 2.81Å; S499-Q501 PolarHBondContact O-N 3.48Å
500	G	57.7	Low	68.5	Low	47 Å²	47	49 Å²	49	49%	0.485	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	67.7	32	-179.4	0	0	0	0	0	114.2	G496 G497	G496-G500 CarbonylContact O-C 3.57Å; G496-G500 VanDerWaalsContact O-C 3.23Å; G496-G500 WeakPolarHBondContact O-CA 3.23Å; G496-G500 PolarHBondContact O-N 2.84Å; G497-G500 PolarHBondContact O-N 2.98Å
501	Q	65.7	Low	70.4	Confident	105 Å²	105	45 Å²	45	49%	0.491	31%	0.307	S	S	.	.			trans	-82.5	-16	-178.3	-66.1	-173.4	-4.4	0	0	113.6	G496 S499 H529	G496-Q501 PolarHBondContact O-N 3.24Å; S499-Q501 PolarHBondContact O-N 3.48Å; Q501-H529 PolarHBondContact OE1-CE1 3.29Å; Q501-H529 VanDerWaalsContact OE1-CE1 3.24Å
502	C	72	Confident	72.4	Confident	2 Å²	2	41.7 Å²	41.7	1%	0.014	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	135.4	172.5	-52.2	0	0	0	0	110.1	G495 G496 L504 C525	G495-C502 CarbonylContact C-O 3.54Å; G495-C502 WeakPolarHBondContact CA-O 3.4Å; G496-C502 PolarHBondContact N-O 3.31Å; G496-C502 PolarHBondContact O-N 2.89Å; C502-L504 HydrophobicContact CB-CD1 4.42Å; C502-L504 HydrophobicContact CB-CD2 4.01Å; C502-L504 HydrophobicContact CB-CG 4.03Å; C502-C525 WeakPolarHBondContact CA-SG 3.49Å; C502-C525 HydrophobicContact CB-CB 3.71Å; C502-C525 WeakPolarHBondContact CB-SG 3.25Å; C502-C525 WeakPolarHBondContact SG-CB 3.41Å; C502-C525 CovalentContact SG-SG 2.01Å; C502-C525 PolarHBondContact SG-SG 3.32Å
503	V	76.9	Confident	74.1	Confident	79 Å²	79	40.9 Å²	40.9	48%	0.479	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	112	165.9	-178.2	0	0	0	0	107	W493 A506 A521	W493-V503 HydrophobicContact CB-CG1 3.99Å; W493-V503 HydrophobicContact CD2-CG1 4.17Å; W493-V503 HydrophobicContact CE3-CG1 4.03Å; W493-V503 HydrophobicContact CG-CG1 4.16Å; V503-A506 HydrophobicContact CG1-CB 4.05Å; V503-A521 WeakPolarHBondContact O-CB 3.23Å
504	L	80.3	Confident	75.6	Confident	6 Å²	6	33.2 Å²	33.2	3%	0.031	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	156.4	-174.1	-55.6	174.5	0	0	0	110.5	W179 P180 W493 E494 C502 A506 A521 A522	W179-L504 HydrophobicContact CE3-CD1 4.01Å; W179-L504 HydrophobicContact CH2-CD1 3.2Å; W179-L504 HydrophobicContact CZ2-CD1 4Å; W179-L504 HydrophobicContact CZ3-CD1 3.21Å; P180-L504 HydrophobicContact CB-CD1 4.14Å; P180-L504 HydrophobicContact CG-CD1 3.75Å; P180-L504 HydrophobicContact CG-CD2 4.13Å; W493-L504 CarbonylContact C-O 3.59Å; W493-L504 VanDerWaalsContact CA-O 3.25Å; W493-L504 WeakPolarHBondContact CA-O 3.45Å; W493-L504 WeakPolarHBondContact CB-O 3.31Å; E494-L504 PolarHBondContact N-O 3.29Å; E494-L504 PolarHBondContact O-N 3.25Å; C502-L504 HydrophobicContact CB-CD1 4.42Å; C502-L504 HydrophobicContact CB-CD2 4.01Å; C502-L504 HydrophobicContact CB-CG 4.03Å; L504-A506 PolarHBondContact O-N 3.35Å; L504-A506 VanDerWaalsContact O-N 3.1Å; L504-A521 HydrophobicContact CD2-CB 4.49Å; L504-A522 VanDerWaalsContact CD2-CA 3.48Å; L504-A522 HydrophobicContact CD2-CB 3.84Å
505	G	70.4	Confident	77	Confident	7 Å²	7	30.9 Å²	30.9	7%	0.072	23%	0.227	C	C	.	.	S	Bend	trans	64.5	12.6	179.4	0	0	0	0	0	114.4	G507 D519	G505-G507 PolarHBondContact O-N 3.04Å; G505-G507 VanDerWaalsContact O-N 3.1Å; G505-D519 PolarHBondContact N-OD2 2.85Å
506	A	64.6	Low	78.7	Confident	59 Å²	59	28.9 Å²	28.9	49%	0.488	21%	0.206	S	C	.	.	S	Bend	trans	-69.5	-1.4	176.1	0	0	0	0	0	113.4	W493 V503 L504	W493-A506 HydrophobicContact CB-CB 4.44Å; V503-A506 HydrophobicContact CG1-CB 4.05Å; L504-A506 PolarHBondContact O-N 3.35Å; L504-A506 VanDerWaalsContact O-N 3.1Å
507	G	68.6	Low	80.1	Confident	13 Å²	13	28.7 Å²	28.7	13%	0.134	20%	0.204	C	C	.	.	B	Isolated β-bridge	trans	118.7	176.7	173.3	0	0	0	0	0	115	G484 G505	G484-G507 CarbonylContact O-C 3.59Å; G484-G507 VanDerWaalsContact O-C 3.25Å; G484-G507 WeakPolarHBondContact O-CA 3.11Å; G505-G507 PolarHBondContact O-N 3.04Å; G505-G507 VanDerWaalsContact O-N 3.1Å
508	G	76.8	Confident	81.5	Confident	7 Å²	7	27.7 Å²	27.7	7%	0.072	19%	0.194	C	C	.	.			trans	82.6	27.7	176.3	0	0	0	0	0	114.8	G484 I510 P520	G484-G508 PolarHBondContact O-N 2.9Å; G508-I510 PolarHBondContact O-N 2.96Å; G508-P520 VanDerWaalsContact O-CD 3.31Å; G508-P520 WeakPolarHBondContact O-CD 3.16Å; G508-P520 WeakPolarHBondContact O-CG 3.31Å
509	F	89.4	Confident	83	Confident	16 Å²	16	23.3 Å²	23.3	7%	0.07	16%	0.157	C	C	.	.			trans	-57.6	136.3	177.3	-71.5	-90.3	0	0	0	111.3	L167 F481 L482 P517 L518 D519	L167-F509 HydrophobicContact CD2-CE1 4.31Å; F481-F509 HydrophobicContact CD2-CE2 4.24Å; F481-F509 HydrophobicContact CD2-CZ 4.44Å; F481-F509 HydrophobicContact CE2-CE2 4.46Å; F481-F509 HydrophobicContact CE2-CZ 4.3Å; L482-F509 HydrophobicContact CD2-CB 4.28Å; L482-F509 HydrophobicContact CD2-CD1 3.75Å; L482-F509 HydrophobicContact CD2-CD2 3.67Å; L482-F509 HydrophobicContact CD2-CE1 3.89Å; L482-F509 HydrophobicContact CD2-CE2 3.83Å; L482-F509 HydrophobicContact CD2-CG 3.63Å; L482-F509 HydrophobicContact CD2-CZ 3.93Å; F509-P517 HydrophobicContact CB-CB 4.2Å; F509-P517 HydrophobicContact CD1-CB 3.91Å; F509-P517 HydrophobicContact CG-CB 4.35Å; F509-L518 WeakPolarHBondContact CA-O 3.31Å; F509-D519 HydrophobicContact CD1-CB 4.07Å; F509-D519 HydrophobicContact CE1-CB 3.7Å; F509-D519 HydrophobicContact CZ-CB 4.39Å
510	I	94.1	Very high	84.6	Confident	17 Å²	17	19.2 Å²	19.2	9%	0.087	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	118.4	173.6	-57	-58.7	0	0	0	107.8	K301 I304 M305 G508 L518 P520	K301-I510 HydrophobicContact CB-CG2 3.85Å; K301-I510 HydrophobicContact CG-CG2 4.31Å; I304-I510 HydrophobicContact CB-CD1 4.26Å; I304-I510 HydrophobicContact CG2-CD1 3.51Å; I304-I510 HydrophobicContact CG2-CG1 4.34Å; M305-I510 HydrophobicContact CB-CB 4.38Å; M305-I510 HydrophobicContact CB-CG1 4.03Å; M305-I510 HydrophobicContact CB-CG2 4.42Å; M305-I510 HydrophobicContact CG-CG1 4.39Å; G508-I510 PolarHBondContact O-N 2.96Å; I510-L518 PolarHBondContact N-O 3.22Å; I510-L518 WeakPolarHBondContact O-CB 3.35Å; I510-L518 PolarHBondContact O-N 3.36Å; I510-P520 HydrophobicContact CG1-CG 4.1Å
511	F	97.1	Very high	85.8	Confident	1 Å²	1	18 Å²	18	0%	0.004	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	132.5	174.8	-65.2	-95.6	0	0	0	108.7	K301 K470 Y471 L474 L482 A515 H516 P517	K301-F511 WeakPolarHBondContact CD-O 3.41Å; K470-F511 HydrophobicContact CD-CE1 4.28Å; Y471-F511 HydrophobicContact CE1-CD1 4.22Å; Y471-F511 HydrophobicContact CE1-CG 4.4Å; L474-F511 HydrophobicContact CD1-CE1 3.95Å; L474-F511 HydrophobicContact CD1-CZ 3.72Å; L482-F511 HydrophobicContact CB-CZ 4.24Å; L482-F511 HydrophobicContact CD1-CE1 4.21Å; L482-F511 HydrophobicContact CD1-CZ 4.03Å; F511-A515 WeakPolarHBondContact CD1-O 3.1Å; F511-H516 WeakPolarHBondContact CA-O 3.44Å; F511-P517 HydrophobicContact CD1-CB 4.14Å; F511-P517 HydrophobicContact CE1-CB 3.92Å; F511-P517 HydrophobicContact CE1-CG 4.33Å; F511-P517 HydrophobicContact CZ-CB 4.31Å
512	N	98.3	Very high	86.9	Confident	0 Å²	0	13 Å²	13	0%	0	9%	0.091	C	C	.	.			trans	-69.8	-176	165.5	81.2	-11.8	0	0	0	110.8	I155 L235 E236 E514 A515 H516	I155-N512 PolarHBondContact O-ND2 3.37Å; L235-N512 HydrophobicContact CD1-CB 4Å; E236-N512 WeakPolarHBondContact OE1-CB 3.15Å; E236-N512 PolarHBondContact OE1-ND2 2.82Å; N512-E514 PolarHBondContact O-N 3.24Å; N512-E514 VanDerWaalsContact OD1-C 3.31Å; N512-E514 WeakPolarHBondContact OD1-CA 3.43Å; N512-E514 PolarHBondContact OD1-N 3.23Å; N512-A515 PolarHBondContact O-N 3.07Å; N512-A515 PolarHBondContact OD1-N 2.88Å; N512-H516 PolarHBondContact N-O 2.82Å; N512-H516 WeakPolarHBondContact OD1-CB 3.43Å; N512-H516 PolarHBondContact OD1-N 3.47Å
513	T	97.9	Very high	87.8	Confident	23 Å²	23	13.3 Å²	13.3	14%	0.141	9%	0.092	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.7	-5.6	-179.7	-166.9	0	0	0	0	114	I155 T232 Y298	I155-T513 HydrophobicContact CB-CG2 3.88Å; I155-T513 HydrophobicContact CD1-CG2 3.91Å; I155-T513 HydrophobicContact CG1-CG2 4.47Å; I155-T513 HydrophobicContact CG2-CG2 3.64Å; T232-T513 HydrophobicContact CG2-CG2 3.9Å; Y298-T513 HydrophobicContact CE2-CG2 3.89Å
514	E	98.2	Very high	88.1	Confident	4 Å²	4	12.4 Å²	12.4	2%	0.019	8%	0.082	C	C	.	.	T	Hydrogen-bonded Turn	trans	-113	24.9	177.2	-162.9	68.6	-146.7	0	0	110.2	I155 R156 F463 E467 N512 H516	I155-E514 HydrophobicContact CB-CB 4.28Å; I155-E514 WeakPolarHBondContact CD1-OE2 3.37Å; I155-E514 HydrophobicContact CG1-CB 4.35Å; I155-E514 WeakPolarHBondContact O-CB 3.32Å; R156-E514 HydrophobicContact CG-CG 3.99Å; R156-E514 IonicContact CZ-OE1 3.2Å; R156-E514 VanDerWaalsContact CZ-OE1 3.32Å; R156-E514 IonicContact CZ-OE2 3.45Å; R156-E514 IonicContact NE-OE2 2.59Å; R156-E514 VanDerWaalsContact NH1-CD 3.32Å; R156-E514 IonicContact NH1-OE1 2.65Å; R156-E514 PolarHBondContact NH1-OE1 2.92Å; R156-E514 IonicContact NH1-OE2 2.96Å; R156-E514 IonicContact NH2-OE1 2.85Å; R156-E514 PolarHBondContact NH2-OE1 3.28Å; R156-E514 IonicContact NH2-OE2 3.77Å; R156-E514 PolarHBondContact NH2-OE2 3.27Å; F463-E514 WeakPolarHBondContact CB-OE1 3.47Å; E467-E514 WeakPolarHBondContact OE2-CA 3.35Å; N512-E514 PolarHBondContact O-N 3.24Å; N512-E514 VanDerWaalsContact OD1-C 3.31Å; N512-E514 WeakPolarHBondContact OD1-CA 3.43Å; N512-E514 PolarHBondContact OD1-N 3.23Å; E514-H516 PolarHBondContact O-N 2.87Å; E514-H516 VanDerWaalsContact O-N 3.08Å
515	A	98.3	Very high	88.2	Confident	0 Å²	0	12.5 Å²	12.5	0%	0	8%	0.083	C	C	.	.	S	Bend	trans	56.2	23	-179	0	0	0	0	0	115.9	E467 K470 Y471 F511 N512 P517	E467-A515 HydrophobicContact CB-CB 3.96Å; E467-A515 HydrophobicContact CG-CB 3.7Å; E467-A515 PolarHBondContact OE2-N 2.81Å; K470-A515 HydrophobicContact CD-CB 3.95Å; K470-A515 WeakPolarHBondContact CD-O 3.16Å; K470-A515 WeakPolarHBondContact CE-O 3.44Å; K470-A515 PolarHBondContact NZ-O 3.34Å; Y471-A515 HydrophobicContact CD2-CB 4.38Å; Y471-A515 HydrophobicContact CE1-CB 4Å; Y471-A515 HydrophobicContact CE2-CB 3.53Å; Y471-A515 VanDerWaalsContact OH-CA 3.31Å; Y471-A515 WeakPolarHBondContact OH-CA 3.48Å; Y471-A515 WeakPolarHBondContact OH-CB 3.35Å; F511-A515 WeakPolarHBondContact CD1-O 3.1Å; N512-A515 PolarHBondContact O-N 3.07Å; N512-A515 PolarHBondContact OD1-N 2.88Å; A515-P517 VanDerWaalsContact O-CD 3.28Å; A515-P517 WeakPolarHBondContact O-CD 3.47Å
516	H	98.5	Very high	89	Confident	0 Å²	0	12.3 Å²	12.3	0%	0	8%	0.081	C	C	.	.			trans	-82.1	114.1	173.9	-64.8	-52.2	0	0	0	110.7	D115 D118 I155 R156 G160 F511 N512 E514 L518	D115-H516 PolarHBondContact O-CE1 3.35Å; D115-H516 IonicContact OD1-NE2 3.62Å; D118-H516 IonicContact OD1-ND1 3.97Å; D118-H516 WeakPolarHBondContact OD2-CA 3.36Å; D118-H516 IonicContact OD2-CE1 3.23Å; D118-H516 IonicContact OD2-CG 3.79Å; D118-H516 IonicContact OD2-ND1 2.78Å; D118-H516 PolarHBondContact OD2-ND1 3.44Å; I155-H516 PolarHBondContact O-CD2 3.41Å; I155-H516 VanDerWaalsContact O-CD2 3.25Å; R156-H516 PolarHBondContact O-NE2 2.94Å; G160-H516 PolarHBondContact N-CD2 3.45Å; G160-H516 VanDerWaalsContact N-CD2 3.27Å; F511-H516 WeakPolarHBondContact CA-O 3.44Å; N512-H516 PolarHBondContact N-O 2.82Å; N512-H516 WeakPolarHBondContact OD1-CB 3.43Å; N512-H516 PolarHBondContact OD1-N 3.47Å; E514-H516 PolarHBondContact O-N 2.87Å; E514-H516 VanDerWaalsContact O-N 3.08Å; H516-L518 PolarHBondContact O-N 3.22Å
517	P	96.8	Very high	89.8	Confident	0 Å²	0	10.2 Å²	10.2	0%	0	6%	0.062	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73	127.2	-179.7	29.1	-34.4	0	0	0	111.1	D118 S163 L167 L482 F509 F511 A515	D118-P517 WeakPolarHBondContact OD2-CD 3.49Å; S163-P517 WeakPolarHBondContact CB-O 3.32Å; S163-P517 WeakPolarHBondContact OG-CD 3.44Å; S163-P517 WeakPolarHBondContact OG-CG 3.42Å; S163-P517 PolarHBondContact OG-O 3.47Å; L167-P517 HydrophobicContact CD1-CG 4.02Å; L482-P517 HydrophobicContact CD1-CB 4.37Å; L482-P517 HydrophobicContact CD1-CG 4.11Å; L482-P517 HydrophobicContact CD2-CB 3.82Å; L482-P517 HydrophobicContact CD2-CG 3.99Å; F509-P517 HydrophobicContact CB-CB 4.2Å; F509-P517 HydrophobicContact CD1-CB 3.91Å; F509-P517 HydrophobicContact CG-CB 4.35Å; F511-P517 HydrophobicContact CD1-CB 4.14Å; F511-P517 HydrophobicContact CE1-CB 3.92Å; F511-P517 HydrophobicContact CE1-CG 4.33Å; F511-P517 HydrophobicContact CZ-CB 4.31Å; A515-P517 VanDerWaalsContact O-CD 3.28Å; A515-P517 WeakPolarHBondContact O-CD 3.47Å
518	L	95.4	Very high	90	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	7%	0.072	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	134.7	172.6	-56.5	176.2	0	0	0	109	L162 M166 L235 A239 M305 F509 I510 H516 P520	L162-L518 HydrophobicContact CB-CD2 4.01Å; M166-L518 HydrophobicContact CE-CD2 4.08Å; M166-L518 HydrophobicContact SD-CB 4.39Å; M166-L518 HydrophobicContact SD-CD2 4.32Å; L235-L518 HydrophobicContact CB-CD1 4.07Å; A239-L518 HydrophobicContact CB-CD1 4.47Å; M305-L518 HydrophobicContact SD-CB 4.18Å; M305-L518 HydrophobicContact SD-CD1 3.88Å; F509-L518 WeakPolarHBondContact CA-O 3.31Å; I510-L518 PolarHBondContact N-O 3.22Å; I510-L518 WeakPolarHBondContact O-CB 3.35Å; I510-L518 PolarHBondContact O-N 3.36Å; H516-L518 PolarHBondContact O-N 3.22Å; L518-P520 WeakPolarHBondContact O-CD 3.34Å
519	D	90.8	Very high	89.4	Confident	5 Å²	5	15.2 Å²	15.2	3%	0.027	8%	0.077	C	C	.	.			trans	-94.9	106.1	179.3	-175.9	-6.7	0	0	0	110.8	M166 G505 F509 A521 A522 L523	M166-D519 HydrophobicContact SD-CB 4.07Å; M166-D519 PolarHBondContact SD-N 3.07Å; G505-D519 PolarHBondContact N-OD2 2.85Å; F509-D519 HydrophobicContact CD1-CB 4.07Å; F509-D519 HydrophobicContact CE1-CB 3.7Å; F509-D519 HydrophobicContact CZ-CB 4.39Å; D519-A521 PolarHBondContact O-N 3.33Å; D519-A521 VanDerWaalsContact O-N 3.11Å; D519-A521 WeakPolarHBondContact OD1-CA 3.45Å; D519-A521 WeakPolarHBondContact OD1-CB 3.19Å; D519-A521 PolarHBondContact OD1-N 3.14Å; D519-A522 HydrophobicContact CB-CB 4.21Å; D519-A522 WeakPolarHBondContact O-CB 3.45Å; D519-A522 PolarHBondContact O-N 3.3Å; D519-L523 WeakPolarHBondContact O-CD1 3.22Å; D519-L523 PolarHBondContact O-N 2.8Å
520	P	88.4	Confident	88.2	Confident	13 Å²	13	15.8 Å²	15.8	8%	0.084	9%	0.085	C	C	.	.	H	α-helix	trans	-58.7	-25.6	177.7	-21.6	33.5	0	0	0	113.5	M305 G508 I510 L518 A522 L523 H524	M305-P520 HydrophobicContact CG-CG 4.24Å; G508-P520 VanDerWaalsContact O-CD 3.31Å; G508-P520 WeakPolarHBondContact O-CD 3.16Å; G508-P520 WeakPolarHBondContact O-CG 3.31Å; I510-P520 HydrophobicContact CG1-CG 4.1Å; L518-P520 WeakPolarHBondContact O-CD 3.34Å; P520-A522 VanDerWaalsContact C-N 3.34Å; P520-L523 PolarHBondContact O-N 3.36Å; P520-H524 PolarHBondContact O-N 3.49Å
521	A	84.3	Confident	86.8	Confident	21 Å²	21	17.5 Å²	17.5	17%	0.174	9%	0.092	C	C	.	.	H	α-helix	trans	-67.7	-35.6	177.5	0	0	0	0	0	111.8	V503 L504 D519 H524 C525	V503-A521 WeakPolarHBondContact O-CB 3.23Å; L504-A521 HydrophobicContact CD2-CB 4.49Å; D519-A521 PolarHBondContact O-N 3.33Å; D519-A521 VanDerWaalsContact O-N 3.11Å; D519-A521 WeakPolarHBondContact OD1-CA 3.45Å; D519-A521 WeakPolarHBondContact OD1-CB 3.19Å; D519-A521 PolarHBondContact OD1-N 3.14Å; A521-H524 PolarHBondContact O-N 3.34Å; A521-C525 WeakPolarHBondContact O-CB 3.48Å; A521-C525 PolarHBondContact O-N 2.62Å
522	A	88.1	Confident	85.3	Confident	1 Å²	1	21.2 Å²	21.2	1%	0.008	11%	0.11	C	C	.	.	H	α-helix	trans	-62.6	-46.1	173.7	0	0	0	0	0	111.1	M166 P180 L243 L504 D519 P520 H524 C525 C526	M166-A522 HydrophobicContact CG-CB 4.36Å; M166-A522 HydrophobicContact SD-CB 4.44Å; P180-A522 HydrophobicContact CB-CB 4.36Å; P180-A522 HydrophobicContact CG-CB 4.28Å; L243-A522 HydrophobicContact CD2-CB 4.21Å; L504-A522 VanDerWaalsContact CD2-CA 3.48Å; L504-A522 HydrophobicContact CD2-CB 3.84Å; D519-A522 HydrophobicContact CB-CB 4.21Å; D519-A522 WeakPolarHBondContact O-CB 3.45Å; D519-A522 PolarHBondContact O-N 3.3Å; P520-A522 VanDerWaalsContact C-N 3.34Å; A522-H524 PolarHBondContact O-N 2.84Å; A522-C525 PolarHBondContact O-N 3.2Å; A522-C526 PolarHBondContact O-N 3.43Å; A522-C526 VanDerWaalsContact O-N 3.1Å; A522-C526 PolarHBondContact O-SG 2.82Å
523	L	89.8	Confident	83.6	Confident	7 Å²	7	28.8 Å²	28.8	4%	0.037	14%	0.138	C	C	.	.	H	α-helix	trans	-60.4	-46.9	177.8	-80.7	55.4	0	0	0	110.9	M166 A239 R242 L243 M305 D519 P520 S527	M166-L523 HydrophobicContact CE-CD1 3.38Å; M166-L523 HydrophobicContact SD-CD1 4.38Å; A239-L523 HydrophobicContact CB-CD1 4.17Å; A239-L523 HydrophobicContact CB-CD2 4.21Å; A239-L523 HydrophobicContact CB-CG 4.37Å; R242-L523 HydrophobicContact CB-CB 4.08Å; R242-L523 HydrophobicContact CB-CG 4.07Å; L243-L523 HydrophobicContact CD2-CD1 4.5Å; M305-L523 HydrophobicContact CE-CD2 3.86Å; M305-L523 HydrophobicContact CG-CD2 3.91Å; M305-L523 HydrophobicContact SD-CD2 3.75Å; D519-L523 WeakPolarHBondContact O-CD1 3.22Å; D519-L523 PolarHBondContact O-N 2.8Å; P520-L523 PolarHBondContact O-N 3.36Å; L523-S527 WeakPolarHBondContact O-CB 3.28Å; L523-S527 PolarHBondContact O-N 3.12Å; L523-S527 PolarHBondContact O-OG 3.17Å
524	H	83.8	Confident	81.8	Confident	61 Å²	61	30.3 Å²	30.3	28%	0.282	15%	0.149	S	C	.	.	H	α-helix	trans	-63	-44.8	178.7	-178	58.4	0	0	0	111.6	P520 A521 A522 C526 S527 R528 F616	P520-H524 PolarHBondContact O-N 3.49Å; A521-H524 PolarHBondContact O-N 3.34Å; A522-H524 PolarHBondContact O-N 2.84Å; H524-C526 PolarHBondContact O-N 3.41Å; H524-S527 PolarHBondContact O-N 3.24Å; H524-R528 PolarHBondContact O-N 3.07Å; H524-F616 HydrophobicContact CB-CD2 4.45Å; H524-F616 HydrophobicContact CB-CG 4.31Å; H524-F616 AromaticContact CD2-CD1 3.88Å; H524-F616 WeakPolarHBondContact CE1-CB 3.4Å; H524-F616 AromaticContact CG-CG 3.81Å; H524-F616 VanDerWaalsContact ND1-CB 3.26Å; H524-F616 WeakPolarHBondContact ND1-CB 3.05Å; H524-F616 AromaticContact ND1-CG 3.96Å
525	C	83.7	Confident	80.2	Confident	7 Å²	7	36.2 Å²	36.2	5%	0.047	18%	0.177	C	C	.	.	H	α-helix	trans	-60.4	-48.2	-178.9	-165.1	0	0	0	0	111.9	C502 A521 A522 S527 R528 H529	C502-C525 WeakPolarHBondContact CA-SG 3.49Å; C502-C525 HydrophobicContact CB-CB 3.71Å; C502-C525 WeakPolarHBondContact CB-SG 3.25Å; C502-C525 WeakPolarHBondContact SG-CB 3.41Å; C502-C525 CovalentContact SG-SG 2.01Å; C502-C525 PolarHBondContact SG-SG 3.32Å; A521-C525 WeakPolarHBondContact O-CB 3.48Å; A521-C525 PolarHBondContact O-N 2.62Å; A522-C525 PolarHBondContact O-N 3.2Å; C525-S527 PolarHBondContact O-N 2.94Å; C525-R528 PolarHBondContact O-N 3.17Å; C525-H529 PolarHBondContact O-CD2 3.39Å; C525-H529 VanDerWaalsContact O-CD2 3.27Å; C525-H529 PolarHBondContact O-N 3.49Å; C525-H529 VanDerWaalsContact O-N 3.07Å
526	C	86	Confident	78.8	Confident	3 Å²	3	41.4 Å²	41.4	2%	0.02	20%	0.204	C	C	.	.	H	α-helix	trans	-68.8	-35.8	-179	-63.3	0	0	0	0	112.8	C181 R242 L243 A522 H524 H529 A530	C181-C526 WeakPolarHBondContact CA-SG 3.17Å; C181-C526 HydrophobicContact CB-CB 3.83Å; C181-C526 WeakPolarHBondContact CB-SG 3.44Å; C181-C526 PolarHBondContact N-SG 2.91Å; C181-C526 VanDerWaalsContact N-SG 3.4Å; C181-C526 WeakPolarHBondContact SG-CA 3.4Å; C181-C526 WeakPolarHBondContact SG-CB 3.4Å; C181-C526 CovalentContact SG-SG 2.04Å; C181-C526 PolarHBondContact SG-SG 3.05Å; R242-C526 WeakPolarHBondContact O-CB 3.26Å; L243-C526 HydrophobicContact CD2-CB 4.36Å; A522-C526 PolarHBondContact O-N 3.43Å; A522-C526 VanDerWaalsContact O-N 3.1Å; A522-C526 PolarHBondContact O-SG 2.82Å; H524-C526 PolarHBondContact O-N 3.41Å; C526-H529 PolarHBondContact O-N 3.01Å; C526-A530 WeakPolarHBondContact O-CB 3.21Å; C526-A530 PolarHBondContact O-N 3.25Å
527	S	82.1	Confident	77.2	Confident	15 Å²	15	47.2 Å²	47.2	11%	0.105	23%	0.231	C	C	.	.	H	α-helix	trans	-62.5	-44	174	-59	0	0	0	0	112.1	R242 L523 H524 C525 A530 Q531	R242-S527 WeakPolarHBondContact CD-OG 3.48Å; L523-S527 WeakPolarHBondContact O-CB 3.28Å; L523-S527 PolarHBondContact O-N 3.12Å; L523-S527 PolarHBondContact O-OG 3.17Å; H524-S527 PolarHBondContact O-N 3.24Å; C525-S527 PolarHBondContact O-N 2.94Å; S527-A530 WeakPolarHBondContact O-CB 3.36Å; S527-A530 PolarHBondContact O-N 2.8Å; S527-Q531 WeakPolarHBondContact O-CG 3.24Å; S527-Q531 PolarHBondContact O-N 3.06Å
528	R	71.6	Confident	75.6	Confident	86 Å²	86	52.9 Å²	52.9	33%	0.325	26%	0.257	S	S	.	.	H	α-helix	trans	-63.9	-44.1	177.6	-167.5	-173.8	74.9	-160.9	-9.1	111.2	H524 C525 A530 Q531 E532	H524-R528 PolarHBondContact O-N 3.07Å; C525-R528 PolarHBondContact O-N 3.17Å; R528-A530 VanDerWaalsContact C-N 3.3Å; R528-A530 PolarHBondContact O-N 3.35Å; R528-Q531 WeakPolarHBondContact O-CB 3.45Å; R528-Q531 PolarHBondContact O-N 3.36Å; R528-Q531 VanDerWaalsContact O-N 3.14Å; R528-E532 IonicContact NE-OE1 2.88Å; R528-E532 PolarHBondContact NE-OE1 2.94Å; R528-E532 VanDerWaalsContact NE-OE1 3.15Å; R528-E532 WeakPolarHBondContact O-CG 3.24Å; R528-E532 PolarHBondContact O-N 2.83Å
529	H	65.4	Low	74.3	Confident	39 Å²	39	58.2 Å²	58.2	18%	0.181	29%	0.285	C	S	.	.	H	α-helix	trans	-62.3	-36.4	175.2	-79.5	-53.4	0	0	0	113.1	Q501 C525 C526 E532 R533	Q501-H529 PolarHBondContact OE1-CE1 3.29Å; Q501-H529 VanDerWaalsContact OE1-CE1 3.24Å; C525-H529 PolarHBondContact O-CD2 3.39Å; C525-H529 VanDerWaalsContact O-CD2 3.27Å; C525-H529 PolarHBondContact O-N 3.49Å; C525-H529 VanDerWaalsContact O-N 3.07Å; C526-H529 PolarHBondContact O-N 3.01Å; H529-E532 IonicContact ND1-OE2 3.59Å; H529-E532 PolarHBondContact ND1-OE2 3.27Å; H529-R533 WeakPolarHBondContact O-CB 3.27Å; H529-R533 VanDerWaalsContact O-CG 3.29Å; H529-R533 WeakPolarHBondContact O-CG 3.48Å; H529-R533 PolarHBondContact O-N 3.25Å; H529-R533 PolarHBondContact O-NE 2.8Å
530	A	63.8	Low	73.2	Confident	29 Å²	29	62.7 Å²	62.7	24%	0.24	31%	0.309	C	S	.	.	H	α-helix	trans	-64.4	-42	172.6	0	0	0	0	0	111.7	C526 S527 R528 R533 C534	C526-A530 WeakPolarHBondContact O-CB 3.21Å; C526-A530 PolarHBondContact O-N 3.25Å; S527-A530 WeakPolarHBondContact O-CB 3.36Å; S527-A530 PolarHBondContact O-N 2.8Å; R528-A530 VanDerWaalsContact C-N 3.3Å; R528-A530 PolarHBondContact O-N 3.35Å; A530-R533 PolarHBondContact O-N 2.86Å; A530-C534 WeakPolarHBondContact O-CB 3.19Å; A530-C534 PolarHBondContact O-N 3.36Å
531	Q	64.8	Low	72.2	Confident	53 Å²	53	66.8 Å²	66.8	25%	0.248	33%	0.329	C	S	.	.	H	α-helix	trans	-62.1	-50.8	175.6	-71.8	169.3	-12.7	0	0	111.8	S527 R528 R533 C534 E535	S527-Q531 WeakPolarHBondContact O-CG 3.24Å; S527-Q531 PolarHBondContact O-N 3.06Å; R528-Q531 WeakPolarHBondContact O-CB 3.45Å; R528-Q531 PolarHBondContact O-N 3.36Å; R528-Q531 VanDerWaalsContact O-N 3.14Å; Q531-R533 VanDerWaalsContact C-N 3.31Å; Q531-R533 PolarHBondContact O-N 3.46Å; Q531-C534 WeakPolarHBondContact O-CB 3.28Å; Q531-C534 PolarHBondContact O-N 3.16Å; Q531-C534 VanDerWaalsContact O-N 3.09Å; Q531-E535 WeakPolarHBondContact O-CG 3.38Å; Q531-E535 PolarHBondContact O-N 3.11Å
532	E	64.6	Low	70.9	Confident	78 Å²	78	68.2 Å²	68.2	36%	0.364	35%	0.346	S	S	.	.	H	α-helix	trans	-57.6	-42.7	177.6	-72.2	168	-174.1	0	0	111.7	R528 H529 E535 L536	R528-E532 IonicContact NE-OE1 2.88Å; R528-E532 PolarHBondContact NE-OE1 2.94Å; R528-E532 VanDerWaalsContact NE-OE1 3.15Å; R528-E532 WeakPolarHBondContact O-CG 3.24Å; R528-E532 PolarHBondContact O-N 2.83Å; H529-E532 IonicContact ND1-OE2 3.59Å; H529-E532 PolarHBondContact ND1-OE2 3.27Å; E532-E535 PolarHBondContact O-N 3.11Å; E532-L536 VanDerWaalsContact O-CB 3.31Å; E532-L536 WeakPolarHBondContact O-CB 3.1Å; E532-L536 PolarHBondContact O-N 3.22Å
533	R	63.9	Low	69.6	Low	160 Å²	160	74.9 Å²	74.9	60%	0.604	38%	0.381	S	S	*	.	H	α-helix	trans	-63.5	-42.2	175.2	-75.7	-173.8	-62.9	178	2.7	112.1	H529 A530 Q531 L536 Q537	H529-R533 WeakPolarHBondContact O-CB 3.27Å; H529-R533 VanDerWaalsContact O-CG 3.29Å; H529-R533 WeakPolarHBondContact O-CG 3.48Å; H529-R533 PolarHBondContact O-N 3.25Å; H529-R533 PolarHBondContact O-NE 2.8Å; A530-R533 PolarHBondContact O-N 2.86Å; Q531-R533 VanDerWaalsContact C-N 3.31Å; Q531-R533 PolarHBondContact O-N 3.46Å; R533-L536 PolarHBondContact O-N 2.96Å; R533-Q537 VanDerWaalsContact O-CB 3.32Å; R533-Q537 WeakPolarHBondContact O-CB 3.2Å; R533-Q537 PolarHBondContact O-N 3.33Å
534	C	59	Low	67.8	Low	55 Å²	55	79.6 Å²	79.6	37%	0.372	41%	0.41	S	S	.	.	H	α-helix	trans	-65.9	-42.3	178.1	-169.5	0	0	0	0	111.6	A530 Q531 Q537 H538	A530-C534 WeakPolarHBondContact O-CB 3.19Å; A530-C534 PolarHBondContact O-N 3.36Å; Q531-C534 WeakPolarHBondContact O-CB 3.28Å; Q531-C534 PolarHBondContact O-N 3.16Å; Q531-C534 VanDerWaalsContact O-N 3.09Å; C534-Q537 PolarHBondContact O-N 2.89Å; C534-H538 WeakPolarHBondContact O-CB 3.21Å; C534-H538 PolarHBondContact O-N 3.2Å
535	E	65.9	Low	66	Low	128 Å²	128	81.5 Å²	81.5	60%	0.598	43%	0.425	S	S	*	.	H	α-helix	trans	-62.7	-45.2	174.7	-72.8	-179	178.4	0	0	111.5	Q531 E532 H538 L539	Q531-E535 WeakPolarHBondContact O-CG 3.38Å; Q531-E535 PolarHBondContact O-N 3.11Å; E532-E535 PolarHBondContact O-N 3.11Å; E535-H538 PolarHBondContact O-N 3Å; E535-L539 WeakPolarHBondContact O-CG 3.36Å; E535-L539 PolarHBondContact O-N 3.13Å
536	L	68.3	Low	64	Low	108 Å²	108	86.4 Å²	86.4	57%	0.565	46%	0.457	S	S	*	.	H	α-helix	trans	-62.6	-43.4	176.5	-163.6	99	0	0	0	111.3	E532 R533 H538 L539 L540	E532-L536 VanDerWaalsContact O-CB 3.31Å; E532-L536 WeakPolarHBondContact O-CB 3.1Å; E532-L536 PolarHBondContact O-N 3.22Å; R533-L536 PolarHBondContact O-N 2.96Å; L536-H538 VanDerWaalsContact C-N 3.32Å; L536-H538 PolarHBondContact O-N 2.66Å; L536-L539 PolarHBondContact O-N 2.95Å; L536-L540 HydrophobicContact CD2-CD1 3.9Å; L536-L540 HydrophobicContact CG-CD1 4.19Å; L536-L540 WeakPolarHBondContact O-CB 3.28Å; L536-L540 VanDerWaalsContact O-CG 3.26Å; L536-L540 WeakPolarHBondContact O-CG 3.42Å; L536-L540 PolarHBondContact O-N 3.16Å
537	Q	63.9	Low	61.9	Low	123 Å²	123	93.7 Å²	93.7	58%	0.575	50%	0.502	S	S	*	.	H	α-helix	trans	-62.6	-40.6	176	-173.6	174.4	4.6	0	0	111.3	R533 C534 L540 L541	R533-Q537 VanDerWaalsContact O-CB 3.32Å; R533-Q537 WeakPolarHBondContact O-CB 3.2Å; R533-Q537 PolarHBondContact O-N 3.33Å; C534-Q537 PolarHBondContact O-N 2.89Å; Q537-L540 PolarHBondContact O-N 3.27Å; Q537-L541 HydrophobicContact CG-CD1 4.01Å; Q537-L541 HydrophobicContact CG-CG 4.49Å; Q537-L541 VanDerWaalsContact O-CB 3.32Å; Q537-L541 WeakPolarHBondContact O-CB 3.43Å; Q537-L541 VanDerWaalsContact O-CG 3.24Å; Q537-L541 WeakPolarHBondContact O-CG 3.29Å; Q537-L541 PolarHBondContact O-N 2.88Å
538	H	64.2	Low	60	Low	119 Å²	119	95.6 Å²	95.6	55%	0.551	52%	0.524	S	S	*	.	H	α-helix	trans	-65.1	-40	175.1	-173.4	-95.2	0	0	0	112.1	C534 E535 L536 G542	C534-H538 WeakPolarHBondContact O-CB 3.21Å; C534-H538 PolarHBondContact O-N 3.2Å; E535-H538 PolarHBondContact O-N 3Å; L536-H538 VanDerWaalsContact C-N 3.32Å; L536-H538 PolarHBondContact O-N 2.66Å; H538-G542 PolarHBondContact O-N 3.41Å
539	L	67.4	Low	58.1	Low	111 Å²	111	100.1 Å²	100.1	58%	0.581	55%	0.549	S	S	*	.	H	α-helix	trans	-64.2	-45.9	173.5	-74.1	168.6	0	0	0	111.8	E535 L536 G542 L543	E535-L539 WeakPolarHBondContact O-CG 3.36Å; E535-L539 PolarHBondContact O-N 3.13Å; L536-L539 PolarHBondContact O-N 2.95Å; L539-G542 CarbonylContact O-C 3.48Å; L539-G542 PolarHBondContact O-N 2.79Å; L539-L543 VanDerWaalsContact O-CG 3.28Å; L539-L543 WeakPolarHBondContact O-CG 3.38Å; L539-L543 PolarHBondContact O-N 3.46Å
540	L	68.4	Low	56.5	Low	99 Å²	99	103.7 Å²	103.7	52%	0.518	58%	0.578	S	S	.	*	H	α-helix	trans	-63.3	-43.5	177.8	-72.3	169.2	0	0	0	111.4	L536 Q537 G542 L543 T544	L536-L540 HydrophobicContact CD2-CD1 3.9Å; L536-L540 HydrophobicContact CG-CD1 4.19Å; L536-L540 WeakPolarHBondContact O-CB 3.28Å; L536-L540 VanDerWaalsContact O-CG 3.26Å; L536-L540 WeakPolarHBondContact O-CG 3.42Å; L536-L540 PolarHBondContact O-N 3.16Å; Q537-L540 PolarHBondContact O-N 3.27Å; L540-G542 VanDerWaalsContact C-N 3.32Å; L540-G542 PolarHBondContact O-N 2.93Å; L540-L543 PolarHBondContact O-N 3.08Å; L540-T544 WeakPolarHBondContact O-CG2 3.37Å; L540-T544 PolarHBondContact O-N 2.77Å; L540-T544 VanDerWaalsContact O-N 3.1Å; L540-T544 PolarHBondContact O-OG1 2.84Å
541	L	67.5	Low	55	Low	100 Å²	100	110.7 Å²	110.7	52%	0.524	61%	0.606	S	S	.	*	H	α-helix	trans	-62.3	-40.7	173.5	-74	168.1	0	0	0	111.3	Q537 L543 T544 V545	Q537-L541 HydrophobicContact CG-CD1 4.01Å; Q537-L541 HydrophobicContact CG-CG 4.49Å; Q537-L541 VanDerWaalsContact O-CB 3.32Å; Q537-L541 WeakPolarHBondContact O-CB 3.43Å; Q537-L541 VanDerWaalsContact O-CG 3.24Å; Q537-L541 WeakPolarHBondContact O-CG 3.29Å; Q537-L541 PolarHBondContact O-N 2.88Å; L541-L543 VanDerWaalsContact C-N 3.29Å; L541-L543 PolarHBondContact O-N 3.46Å; L541-T544 WeakPolarHBondContact CA-OG1 3.44Å; L541-T544 PolarHBondContact O-N 3.4Å; L541-T544 VanDerWaalsContact O-N 3.14Å; L541-T544 PolarHBondContact O-OG1 3.41Å; L541-V545 PolarHBondContact O-N 3.27Å
542	G	56.3	Low	53.4	Low	50 Å²	50	118.7 Å²	118.7	52%	0.515	63%	0.634	S	S	.	*	H	α-helix	trans	-63.7	-30	174.3	0	0	0	0	0	114.2	H538 L539 L540	H538-G542 PolarHBondContact O-N 3.41Å; L539-G542 CarbonylContact O-C 3.48Å; L539-G542 PolarHBondContact O-N 2.79Å; L540-G542 VanDerWaalsContact C-N 3.32Å; L540-G542 PolarHBondContact O-N 2.93Å
543	L	61.4	Low	51.9	Low	142 Å²	142	121.2 Å²	121.2	74%	0.743	66%	0.657	S	S	*	*	H	α-helix	trans	-79.3	-19.8	174.3	-70.2	166.2	0	0	0	113	L539 L540 L541	L539-L543 VanDerWaalsContact O-CG 3.28Å; L539-L543 WeakPolarHBondContact O-CG 3.38Å; L539-L543 PolarHBondContact O-N 3.46Å; L540-L543 PolarHBondContact O-N 3.08Å; L541-L543 VanDerWaalsContact C-N 3.29Å; L541-L543 PolarHBondContact O-N 3.46Å
544	T	52.8	Low	50.3	Low	105 Å²	105	118.2 Å²	118.2	64%	0.644	67%	0.667	S	S	*	*	H	α-helix	trans	-89.3	-6.3	176.8	57.1	0	0	0	0	114.5	L540 L541 P546	L540-T544 WeakPolarHBondContact O-CG2 3.37Å; L540-T544 PolarHBondContact O-N 2.77Å; L540-T544 VanDerWaalsContact O-N 3.1Å; L540-T544 PolarHBondContact O-OG1 2.84Å; L541-T544 WeakPolarHBondContact CA-OG1 3.44Å; L541-T544 PolarHBondContact O-N 3.4Å; L541-T544 VanDerWaalsContact O-N 3.14Å; L541-T544 PolarHBondContact O-OG1 3.41Å; T544-P546 WeakPolarHBondContact O-CD 3.33Å
545	V	44.7	Very low	48.9	Very low	101 Å²	101	119.3 Å²	119.3	61%	0.612	69%	0.687	S	S	*	*	S	Bend	trans	-80.4	117.2	169.9	-178.5	0	0	0	0	108.4	L541 T547	L541-V545 PolarHBondContact O-N 3.27Å; V545-T547 PolarHBondContact O-N 3.41Å; V545-T547 VanDerWaalsContact O-N 3.11Å
546	P	41.3	Very low	47.2	Very low	111 Å²	111	123 Å²	123	72%	0.721	70%	0.704	S	S	*	*			trans	-60.4	120.8	176.7	-18	30.2	0	0	0	109.5	T544 G548	T544-P546 WeakPolarHBondContact O-CD 3.33Å; P546-G548 PolarHBondContact O-N 2.87Å
547	T	43.1	Very low	45.3	Very low	156 Å²	156	123.6 Å²	123.6	96%	0.957	72%	0.717	S	S	*	*			trans	-66	81.9	163	35.9	0	0	0	0	108.5	V545	V545-T547 PolarHBondContact O-N 3.41Å; V545-T547 VanDerWaalsContact O-N 3.11Å
548	G	41.2	Very low	43.7	Very low	55 Å²	55	125.5 Å²	125.5	57%	0.567	73%	0.726	S	S	*	*			trans	-163.3	66.5	-171.8	0	0	0	0	0	113.3	P546	P546-G548 PolarHBondContact O-N 2.87Å
549	Q	32.8	Very low	41.9	Very low	180 Å²	180	130.4 Å²	130.4	84%	0.841	74%	0.74	S	S	*	*				175.4	100.9	127.9	-93.4	171.8	16.9	0	0	109.4	E551	Q549-E551 PolarHBondContact O-N 2.86Å
550	S	31.7	Very low	40.5	Very low	115 Å²	115	130.8 Å²	130.8	80%	0.804	75%	0.749	S	S	*	*			trans	-71.6	99.6	158.9	174.6	0	0	0	0	107.3	R552	S550-R552 PolarHBondContact O-N 3.47Å
551	E	32.2	Very low	38.5	Very low	175 Å²	175	131.2 Å²	131.2	82%	0.818	77%	0.767	S	S	*	*			trans	-71.7	106.7	161.8	-73.9	-163.2	154.5	0	0	108.2	Q549	Q549-E551 PolarHBondContact O-N 2.86Å
552	R	31.6	Very low	36.5	Very low	221 Å²	221	130 Å²	130	83%	0.834	78%	0.778	S	S	*	*			trans	-65.4	140.4	164.5	-66.4	178.7	-177.9	179.7	0.7	108.5	S550 A554	S550-R552 PolarHBondContact O-N 3.47Å; R552-A554 PolarHBondContact O-N 3.42Å
553	P	32	Very low	35.2	Very low	131 Å²	131	136.4 Å²	136.4	85%	0.851	80%	0.795	S	S	*	*			trans	-72.1	113.1	171	18.2	-11.5	0	0	0	109	G555	P553-G555 PolarHBondContact O-N 3.45Å
554	A	29.8	Very low	33.6	Very low	98 Å²	98	134.7 Å²	134.7	81%	0.81	80%	0.795	S	S	*	*	P	Polyproline II helix	trans	-72.7	120.2	171	0	0	0	0	0	109.4	R552	R552-A554 PolarHBondContact O-N 3.42Å
555	G	31.2	Very low	32.5	Very low	77 Å²	77	137.7 Å²	137.7	79%	0.794	80%	0.802	S	S	*	*	P	Polyproline II helix	trans	-64.1	135.9	175.3	0	0	0	0	0	112	P553	P553-G555 PolarHBondContact O-N 3.45Å
556	Q	29.4	Very low	31.8	Very low	205 Å²	205	141.2 Å²	141.2	96%	0.958	81%	0.811	S	S	*	*	P	Polyproline II helix	trans	-76.4	117.7	167.4	-71.3	176.9	-9.9	0	0	109.2
557	S	29.3	Very low	32.1	Very low	121 Å²	121	141 Å²	141	85%	0.846	81%	0.81	S	S	*	*			trans	-120.5	127.6	158.2	-173.5	0	0	0	0	107.4
558	E	30.3	Very low	31.4	Very low	163 Å²	163	138.6 Å²	138.6	76%	0.762	81%	0.806	S	S	*	*			trans	-74.2	154.3	-176.9	-64.9	-174.5	139.5	0	0	113.4
559	R	26.6	Very low	30.8	Very low	222 Å²	222	139 Å²	139	84%	0.838	81%	0.81	S	S	*	*			trans	102	153.4	153.5	-52	-171.7	-174.2	-174.7	1.6	117
560	P	36.1	Very low	30.5	Very low	120 Å²	120	139.3 Å²	139.3	78%	0.779	81%	0.812	S	S	*	*				-133.5	163.9	-76.8	32.2	-11.7	0	0	0	114.2
561	A	26.7	Very low	30.4	Very low	107 Å²	107	138.4 Å²	138.4	88%	0.884	81%	0.805	S	S	*	*			trans	58.8	127.5	149.9	0	0	0	0	0	121.4
562	G	26.9	Very low	30.2	Very low	74 Å²	74	139 Å²	139	76%	0.763	81%	0.808	S	S	*	*			trans	145.3	92.6	149	0	0	0	0	0	117.6
563	Q	27.6	Very low	30.1	Very low	186 Å²	186	137.2 Å²	137.2	87%	0.869	81%	0.809	S	S	*	*			trans	31.7	130.8	139.7	-66	177	-22.2	0	0	123.2
564	S	29.3	Very low	30.9	Very low	106 Å²	106	136.2 Å²	136.2	74%	0.741	80%	0.803	S	S	*	*			trans	56.7	151.4	136.8	70.4	0	0	0	0	119.3
565	E	27.8	Very low	30.7	Very low	168 Å²	168	136.6 Å²	136.6	79%	0.785	81%	0.806	S	S	*	*			cis	-173.5	134.4	-1.2	-115	179.8	159.6	0	0	104.5
566	Q	30.9	Very low	30.5	Very low	175 Å²	175	136 Å²	136	82%	0.818	80%	0.8	S	S	*	*			trans	61	171	140	-79.9	-157.8	0.3	0	0	120.7
567	P	48.6	Very low	30.4	Very low	107 Å²	107	135.2 Å²	135.2	70%	0.695	80%	0.796	S	S	*	*				-140.9	-158.9	-89.7	35.8	-9.4	0	0	0	113
568	A	27.8	Very low	30.4	Very low	104 Å²	104	134.3 Å²	134.3	86%	0.86	79%	0.79	S	S	*	*			trans	77.3	141.7	159.9	0	0	0	0	0	116.7
569	G	27.4	Very low	30.3	Very low	65 Å²	65	135.6 Å²	135.6	67%	0.67	80%	0.796	S	S	*	*			cis	173.9	-178.7	6.8	0	0	0	0	0	110.4
570	Q	28.3	Very low	30.7	Very low	186 Å²	186	133.8 Å²	133.8	87%	0.869	80%	0.797	S	S	*	*			trans	75.5	105.9	155.4	-63	179.8	-14.3	0	0	117.1
571	S	28.9	Very low	30.8	Very low	96 Å²	96	134.3 Å²	134.3	67%	0.671	80%	0.8	S	S	*	*				77.4	121.3	72.9	76.5	0	0	0	0	112.9
572	E	28.3	Very low	30.9	Very low	188 Å²	188	134.2 Å²	134.2	88%	0.879	80%	0.799	S	S	*	*				-177.4	136.8	115.3	-96.4	175.3	168.2	0	0	110.9
573	Q	29.6	Very low	30.9	Very low	182 Å²	182	134.1 Å²	134.1	85%	0.85	80%	0.798	S	S	*	*			trans	-73.7	-161.3	165.1	-67	178.9	-31.5	0	0	109.3
574	P	47.4	Very low	30.9	Very low	111 Å²	111	134.3 Å²	134.3	72%	0.721	80%	0.799	S	S	*	*			cis	-140	-176.4	-11.5	15.7	12.1	0	0	0	115.1
575	A	26.7	Very low	31	Very low	105 Å²	105	135.3 Å²	135.3	87%	0.868	80%	0.801	S	S	*	*			trans	72.5	142.8	148.1	0	0	0	0	0	117.7
576	G	26.5	Very low	31.1	Very low	65 Å²	65	136.8 Å²	136.8	67%	0.67	81%	0.808	S	S	*	*			cis	160.9	159.8	5.7	0	0	0	0	0	108.5
577	Q	26.9	Very low	31.1	Very low	189 Å²	189	136.3 Å²	136.3	88%	0.883	81%	0.811	S	S	*	*			trans	72.6	106.4	162.5	-62	175.7	-13.8	0	0	116.5
578	S	30.2	Very low	30.8	Very low	102 Å²	102	136.4 Å²	136.4	71%	0.713	81%	0.812	S	S	*	*				65.7	114.9	83.1	85.7	0	0	0	0	114.8
579	E	28.9	Very low	31.2	Very low	190 Å²	190	137.1 Å²	137.1	89%	0.888	81%	0.808	S	S	*	*			trans	179.9	135.3	130.2	-100.1	175.1	171.2	0	0	110.1
580	Q	34.2	Very low	31.5	Very low	184 Å²	184	139.5 Å²	139.5	86%	0.86	81%	0.811	S	S	*	*			trans	-80.3	161.4	162.8	-71.8	-178.7	-31.7	0	0	109.2
581	P	38.3	Very low	31.7	Very low	130 Å²	130	138.7 Å²	138.7	84%	0.844	81%	0.811	S	S	*	*				-145.5	165.4	102.9	32.7	-14.4	0	0	0	115.3
582	A	28.1	Very low	31.6	Very low	105 Å²	105	142.7 Å²	142.7	87%	0.868	82%	0.819	S	S	*	*			trans	-74.1	157.8	178.6	0	0	0	0	0	114.3
583	G	27.3	Very low	31.7	Very low	72 Å²	72	139.2 Å²	139.2	74%	0.742	82%	0.816	S	S	*	*			trans	166.7	98	160.4	0	0	0	0	0	117.3
584	Q	27.6	Very low	31.7	Very low	190 Å²	190	139.1 Å²	139.1	89%	0.888	82%	0.815	S	S	*	*			trans	71.7	111.2	138.5	-64.6	-179.9	-7.9	0	0	122.7
585	T	31.8	Very low	30.7	Very low	128 Å²	128	139.6 Å²	139.6	79%	0.785	82%	0.821	S	S	*	*			trans	22.1	126.6	131.4	44.1	0	0	0	0	121.7
586	E	29.7	Very low	31	Very low	199 Å²	199	141.9 Å²	141.9	93%	0.93	82%	0.817	S	S	*	*				-167.8	145.7	126.6	-103.8	179.7	-165.8	0	0	111.5
587	D	29.9	Very low	31.1	Very low	164 Å²	164	143.4 Å²	143.4	88%	0.877	82%	0.823	S	S	*	*			trans	-79.9	169.8	-173.3	-99.4	-31.3	0	0	0	114.5
588	P	43.3	Very low	31.3	Very low	109 Å²	109	141.9 Å²	141.9	71%	0.708	82%	0.82	S	S	*	*			trans	-97	166.1	-152.3	39.5	-36.4	0	0	0	115.4
589	P	36.6	Very low	31.3	Very low	120 Å²	120	146.1 Å²	146.1	78%	0.779	83%	0.826	S	S	*	*				-160.2	-165.2	106	39.7	-18.9	0	0	0	114.1
590	P	33.2	Very low	31.4	Very low	115 Å²	115	143.7 Å²	143.7	75%	0.747	83%	0.827	S	S	*	*			cis	-123	171.3	-40.8	27.9	-8	0	0	0	113.3
591	I	33.1	Very low	31.6	Very low	168 Å²	168	138.7 Å²	138.7	86%	0.862	82%	0.824	S	S	*	*			trans	-62.9	129.5	172.6	-64.3	164.5	0	0	0	111.3
592	Q	26.5	Very low	31.2	Very low	181 Å²	181	140.7 Å²	140.7	85%	0.846	82%	0.822	S	S	*	*			trans	-114.1	120.8	159	-80.2	-174.6	-7.4	0	0	109.8
593	S	29.9	Very low	31.4	Very low	114 Å²	114	145.8 Å²	145.8	80%	0.797	83%	0.825	S	S	*	*			trans	-73.8	112.8	171.1	49.9	0	0	0	0	110.5
594	E	28.8	Very low	31.6	Very low	181 Å²	181	151.4 Å²	151.4	85%	0.846	83%	0.829	S	S	*	*			trans	-97.3	114.3	164.3	-77.3	-168.7	156.4	0	0	110.1
595	S	26.9	Very low	31.8	Very low	120 Å²	120	146.5 Å²	146.5	84%	0.839	82%	0.821	S	S	*	*			trans	-80.7	109.5	171.4	46.5	0	0	0	0	109.9	A597	S595-A597 PolarHBondContact O-N 3.46Å
596	I	33.1	Very low	31.7	Very low	154 Å²	154	145.9 Å²	145.9	79%	0.79	82%	0.819	S	S	*	*			trans	-84	103.8	170.8	-60.9	175	0	0	0	108.3	L598	I596-L598 PolarHBondContact O-N 3.19Å
597	A	29.8	Very low	31.7	Very low	96 Å²	96	140.6 Å²	140.6	79%	0.793	80%	0.802	S	S	*	*	P	Polyproline II helix	trans	-70.1	120	171.6	0	0	0	0	0	110.7	S595	S595-A597 PolarHBondContact O-N 3.46Å
598	L	29.8	Very low	32	Very low	158 Å²	158	138.7 Å²	138.7	83%	0.827	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-77.3	139.3	172	-77.1	160.6	0	0	0	110.8	I596	I596-L598 PolarHBondContact O-N 3.19Å
599	K	31.3	Very low	31.9	Very low	191 Å²	191	141.3 Å²	141.3	83%	0.83	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-75.6	146.1	175.1	-70.8	-179.5	179.6	175.8	0	110.9	G601	K599-G601 PolarHBondContact O-N 3.19Å
600	P	29.9	Very low	31.7	Very low	139 Å²	139	140.8 Å²	140.8	90%	0.903	81%	0.805	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.3	124.6	179.2	-8.1	24.3	0	0	0	111.2
601	G	39.3	Very low	31.8	Very low	78 Å²	78	138.1 Å²	138.1	80%	0.804	79%	0.789	S	S	*	*	T	Hydrogen-bonded Turn	trans	139.1	-9.3	163.7	0	0	0	0	0	118.2	K599 K603	K599-G601 PolarHBondContact O-N 3.19Å; G601-K603 PolarHBondContact O-N 3.26Å
602	E	29.2	Very low	31.9	Very low	173 Å²	173	135.9 Å²	135.9	81%	0.808	79%	0.785	S	S	*	*			trans	-85.9	110.3	176.9	-82.4	-175.9	158.5	0	0	111.9	K604	E602-K604 PolarHBondContact O-N 3.49Å
603	K	33.5	Very low	32.5	Very low	211 Å²	211	132 Å²	132	92%	0.917	77%	0.774	S	S	*	*			trans	-79.7	103.9	161.6	-73.7	-174.8	178.1	-177.1	0	108.5	G601	G601-K603 PolarHBondContact O-N 3.26Å
604	K	30.8	Very low	32.8	Very low	190 Å²	190	132.1 Å²	132.1	83%	0.826	76%	0.761	S	S	*	*	P	Polyproline II helix	trans	-68.9	128.2	162.7	-89.5	-177	175.2	178.8	0	108.9	E602	E602-K604 PolarHBondContact O-N 3.49Å
605	A	31.1	Very low	33	Very low	88 Å²	88	128.5 Å²	128.5	73%	0.727	75%	0.753	S	S	*	*	P	Polyproline II helix	trans	-64.2	135.5	157.1	0	0	0	0	0	108
606	P	29.1	Very low	33.5	Very low	114 Å²	114	126.4 Å²	126.4	74%	0.74	73%	0.729	S	S	*	*	P	Polyproline II helix	trans	-64.2	140.6	178.3	25.9	-31.2	0	0	0	109.7
607	P	30.2	Very low	33.7	Very low	88 Å²	88	120.5 Å²	120.5	57%	0.571	71%	0.706	S	S	*	*	P	Polyproline II helix	trans	-63	148.7	172.1	27	-31.1	0	0	0	109.7	L609	P607-L609 PolarHBondContact O-N 3.39Å
608	P	37.4	Very low	33.7	Very low	125 Å²	125	120.4 Å²	120.4	81%	0.812	71%	0.705	S	S	*	*	S	Bend	trans	-73.3	104.2	176.7	31.1	-28	0	0	0	106.8
609	L	39.6	Very low	33.9	Very low	163 Å²	163	124.3 Å²	124.3	85%	0.853	71%	0.709	S	S	*	*			trans	154.8	67.2	163.1	-82.6	165.2	0	0	0	106.6	P607 C611	P607-L609 PolarHBondContact O-N 3.39Å; L609-C611 PolarHBondContact O-N 2.89Å
610	S	32.7	Very low	34.4	Very low	109 Å²	109	118 Å²	118	76%	0.762	68%	0.684	S	S	*	*			trans	-73.1	110.5	171.9	54.5	0	0	0	0	108.7
611	C	36.1	Very low	34.6	Very low	60 Å²	60	113.6 Å²	113.6	41%	0.405	66%	0.66	S	S	.	*			trans	-59.3	126.8	163.3	-65.5	0	0	0	0	107.8	L609 V613	L609-C611 PolarHBondContact O-N 2.89Å; C611-V613 PolarHBondContact O-N 3.38Å
612	P	35.2	Very low	34.6	Very low	120 Å²	120	113.6 Å²	113.6	78%	0.779	64%	0.64	S	S	*	*			trans	-66	133.5	176.8	24.3	-29.7	0	0	0	109.9
613	V	38.8	Very low	35.2	Very low	101 Å²	101	107.6 Å²	107.6	61%	0.612	61%	0.613	S	S	*	*			trans	-123.9	131.9	-178.4	-173.6	0	0	0	0	109.4	C611	C611-V613 PolarHBondContact O-N 3.38Å
614	Q	35.5	Very low	35.3	Very low	116 Å²	116	98.4 Å²	98.4	54%	0.542	58%	0.579	S	S	.	*			trans	-129.2	121	156.9	-83.1	-86.8	-15.1	0	0	106
615	P	33.1	Very low	35.7	Very low	104 Å²	104	95.9 Å²	95.9	68%	0.675	57%	0.57	S	S	*	*			trans	-75.7	133.6	176.7	28.5	-30.2	0	0	0	110.9	Q307	Q307-P615 PolarHBondContact OE1-O 2.94Å
616	F	37.4	Very low	36.1	Very low	77 Å²	77	92.4 Å²	92.4	34%	0.338	54%	0.54	S	S	.	.			trans	-83.5	119.2	177.3	179.8	-103.2	0	0	0	111.3	H524 A618	H524-F616 HydrophobicContact CB-CD2 4.45Å; H524-F616 HydrophobicContact CB-CG 4.31Å; H524-F616 AromaticContact CD2-CD1 3.88Å; H524-F616 WeakPolarHBondContact CE1-CB 3.4Å; H524-F616 AromaticContact CG-CG 3.81Å; H524-F616 VanDerWaalsContact ND1-CB 3.26Å; H524-F616 WeakPolarHBondContact ND1-CB 3.05Å; H524-F616 AromaticContact ND1-CG 3.96Å; F616-A618 HydrophobicContact CD1-CB 4.47Å; F616-A618 HydrophobicContact CE1-CB 3.99Å
617	G	37.7	Very low	36.8	Very low	29 Å²	29	88.7 Å²	88.7	30%	0.299	51%	0.512	S	S	.	.			trans	-90.3	112.2	165.5	0	0	0	0	0	111	Q307 R619	Q307-G617 PolarHBondContact NE2-O 2.99Å; G617-R619 PolarHBondContact O-N 3.11Å
618	A	31	Very low	37.1	Very low	94 Å²	94	88.7 Å²	88.7	78%	0.777	51%	0.514	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.5	4.7	178.5	0	0	0	0	0	115.3	F616	F616-A618 HydrophobicContact CD1-CB 4.47Å; F616-A618 HydrophobicContact CE1-CB 3.99Å
619	R	34	Very low	37	Very low	241 Å²	241	89.6 Å²	89.6	91%	0.909	51%	0.512	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.7	3.3	-172.8	-135.5	179.1	-174.5	-176.1	-0.3	114.3	G617	G617-R619 PolarHBondContact O-N 3.11Å
620	L	42	Very low	36.5	Very low	57 Å²	57	89.6 Å²	89.6	30%	0.298	51%	0.513	S	S	.	.			trans	-118.6	7.3	-156.8	-71.6	156.5	0	0	0	115.4	Q625 V626	L620-Q625 WeakPolarHBondContact CD2-O 3.33Å; L620-V626 HydrophobicContact CB-CG2 4.47Å; L620-V626 VanDerWaalsContact O-CG2 3.24Å; L620-V626 WeakPolarHBondContact O-CG2 3.46Å
621	A	32.8	Very low	36.3	Very low	48 Å²	48	94.3 Å²	94.3	40%	0.397	54%	0.538	S	S	.	.			trans	-98.7	13.9	-176.2	0	0	0	0	0	115.3
622	I	38.7	Very low	36.4	Very low	78 Å²	78	96.1 Å²	96.1	40%	0.4	54%	0.544	S	S	.	.	S	Bend	trans	-98	109.3	174.4	-55.4	179.7	0	0	0	107.8	G485 G624 Q625	G485-I622 VanDerWaalsContact O-CD1 3.25Å; G485-I622 WeakPolarHBondContact O-CD1 3.35Å; G485-I622 WeakPolarHBondContact O-CG1 3.38Å; I622-G624 PolarHBondContact O-N 3.31Å; I622-Q625 PolarHBondContact O-N 3.11Å
623	L	41.9	Very low	36.4	Very low	46 Å²	46	94.8 Å²	94.8	24%	0.241	53%	0.532	C	S	.	.	T	Hydrogen-bonded Turn	trans	44.8	56.6	165.6	-63.6	166.5	0	0	0	114.2	A418 Q625	A418-L623 HydrophobicContact CB-CD1 4.41Å; A418-L623 HydrophobicContact CB-CD2 4.42Å; L623-Q625 PolarHBondContact O-N 3.23Å
624	G	36.8	Very low	36.3	Very low	18 Å²	18	94.4 Å²	94.4	19%	0.186	53%	0.527	C	S	.	.	T	Hydrogen-bonded Turn	trans	48.1	30.6	170.3	0	0	0	0	0	118.3	L360 I622 V626	L360-G624 WeakPolarHBondContact O-CA 3.35Å; L360-G624 PolarHBondContact O-N 3.49Å; I622-G624 PolarHBondContact O-N 3.31Å; G624-V626 PolarHBondContact O-N 3.07Å
625	Q	38	Very low	36.3	Very low	138 Å²	138	93.2 Å²	93.2	65%	0.645	53%	0.526	S	S	*	.	G	3₁₀ helix	trans	-72	28.2	160.2	-65.7	-166.4	-14.9	0	0	112.9	L620 I622 L623 F627	L620-Q625 WeakPolarHBondContact CD2-O 3.33Å; I622-Q625 PolarHBondContact O-N 3.11Å; L623-Q625 PolarHBondContact O-N 3.23Å; Q625-F627 PolarHBondContact O-N 3.49Å
626	V	40.7	Very low	36.5	Very low	15 Å²	15	92.5 Å²	92.5	9%	0.091	52%	0.517	C	S	.	.	G	3₁₀ helix	trans	-67.7	-21.1	-178.2	-173.3	0	0	0	0	111	I304 L620 G624	I304-V626 HydrophobicContact CB-CG2 4.32Å; I304-V626 HydrophobicContact CG1-CG2 4.07Å; I304-V626 HydrophobicContact CG2-CG2 3.99Å; L620-V626 HydrophobicContact CB-CG2 4.47Å; L620-V626 VanDerWaalsContact O-CG2 3.24Å; L620-V626 WeakPolarHBondContact O-CG2 3.46Å; G624-V626 PolarHBondContact O-N 3.07Å
627	F	42.9	Very low	36.5	Very low	35 Å²	35	93.5 Å²	93.5	15%	0.154	53%	0.529	C	S	.	.	G	3₁₀ helix	trans	-146.7	30.1	-169.4	-53.6	-73.6	0	0	0	114.5	A303 Q309 L312 R316 Q625 D629	A303-F627 HydrophobicContact CB-CE2 4.17Å; Q309-F627 HydrophobicContact CB-CE1 4.25Å; L312-F627 HydrophobicContact CB-CD2 4.33Å; L312-F627 HydrophobicContact CB-CE2 4.04Å; L312-F627 HydrophobicContact CB-CZ 4.48Å; L312-F627 HydrophobicContact CD1-CD2 4.08Å; L312-F627 HydrophobicContact CD1-CE2 4.3Å; L312-F627 HydrophobicContact CD2-CB 3.55Å; L312-F627 HydrophobicContact CD2-CD1 4.12Å; L312-F627 HydrophobicContact CD2-CD2 3.1Å; L312-F627 HydrophobicContact CD2-CE2 3.66Å; L312-F627 HydrophobicContact CD2-CG 3.32Å; L312-F627 HydrophobicContact CD2-CZ 4.35Å; L312-F627 HydrophobicContact CG-CD2 4Å; L312-F627 HydrophobicContact CG-CE2 4.2Å; R316-F627 PolarHBondContact NH2-O 3.22Å; Q625-F627 PolarHBondContact O-N 3.49Å; F627-D629 PolarHBondContact O-N 3.38Å; F627-D629 VanDerWaalsContact O-N 3.11Å
628	S	36.8	Very low	36.4	Very low	89 Å²	89	98.1 Å²	98.1	62%	0.622	55%	0.546	S	S	*	.			trans	-75.3	95.8	168.3	-60.5	0	0	0	0	108.4	D630	S628-D630 VanDerWaalsContact C-N 3.3Å; S628-D630 PolarHBondContact O-N 3.04Å
629	D	35.1	Very low	36.8	Very low	144 Å²	144	98.5 Å²	98.5	77%	0.77	53%	0.528	S	S	*	.			trans	-63.2	93.4	165	-72.4	-34.1	0	0	0	108.5	F627	F627-D629 PolarHBondContact O-N 3.38Å; F627-D629 VanDerWaalsContact O-N 3.11Å
630	D	29.8	Very low	37	Very low	162 Å²	162	86.6 Å²	86.6	87%	0.866	50%	0.496	S	S	*	.			trans	-141	60.7	153	-98.4	-24.3	0	0	0	108.3	S628	S628-D630 VanDerWaalsContact C-N 3.3Å; S628-D630 PolarHBondContact O-N 3.04Å
631	T	29	Very low	36.6	Very low	209 Å²	209	89.3 Å²	89.3	100%	1.282	51%	0.514	S	S	*	.			trans	-144.8	0	146.5	49.7	0	0	0	0	110.6

Retrieved 631 of 631 residues in 181.8 ms (Link to these results)

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