A0A096NVV7_PAPAN Loading...

Lysophosphatidylserine lipase ABHD12

Lysophosphatidylserine (LPS) lipase that mediates the hydrolysis of lysophosphatidylserine, a class of signaling lipids that regulates immunological and neurological processes. Represents a major lysophosphatidylserine lipase in the brain, thereby playing a key role in the central nervous system. Also able to hydrolyze oxidized phosphatidylserine; oxidized phosphatidylserine is produced in response to severe inflammatory stress and constitutes a proapoptotic 'eat me' signal. Also has monoacylglycerol (MAG) lipase activity: hydrolyzes 2-arachidonoylglycerol (2-AG), thereby acting as a regulator of endocannabinoid signaling pathways. Has a strong preference for very-long-chain lipid substrates; substrate specificity is likely due to improved catalysis and not improved substrate binding.

AlphaFold DB , UniProt , Accession A0A096NVV7, Species PAPAN (Papio anubis, Olive baboon), Gene ABHD12, Length 398 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	43	Very low	35.9	Very low	253 Å²	253	174.1 Å²	174.1	100%	1.246	87%	0.87	S	S	*	*				0	157.1	0	-74.2	174.5	166.7	0	0	109.5
2	R	37.1	Very low	35.3	Very low	243 Å²	243	174.8 Å²	174.8	92%	0.917	87%	0.868	S	S	*	*			trans	-100.7	137.1	177.7	-87	178.7	166.5	169.8	-5.3	111.9
3	K	36.2	Very low	34.9	Very low	206 Å²	206	172.4 Å²	172.4	90%	0.896	85%	0.853	S	S	*	*			trans	179	113.5	147.9	-99.2	166	-178	-176.8	0	104.9
4	R	38.8	Very low	34.4	Very low	216 Å²	216	174.4 Å²	174.4	82%	0.815	85%	0.846	S	S	*	*			cis	82.4	91.7	34.5	-158.2	-170.9	-165.2	-167.9	5.3	113.7
5	T	37.6	Very low	33.8	Very low	146 Å²	146	170.5 Å²	170.5	90%	0.896	84%	0.842	S	S	*	*			trans	-146.7	144.6	153.1	-6.5	0	0	0	0	107.7
6	E	37.1	Very low	33.4	Very low	157 Å²	157	165.6 Å²	165.6	73%	0.734	84%	0.836	S	S	*	*			trans	-107.7	162.3	-177.3	-88.7	161	-161.8	0	0	111
7	P	41.5	Very low	33.1	Very low	124 Å²	124	161.7 Å²	161.7	81%	0.805	84%	0.836	S	S	*	*			trans	-83.3	164.9	-172.4	34.7	-36.8	0	0	0	113.5
8	V	33	Very low	32.8	Very low	147 Å²	147	158.7 Å²	158.7	89%	0.891	84%	0.838	S	S	*	*			trans	-121.7	134.7	164.5	178.3	0	0	0	0	108.2
9	A	30.1	Very low	32.5	Very low	84 Å²	84	153.7 Å²	153.7	69%	0.694	83%	0.829	S	S	*	*			trans	-97.7	170	-173.4	0	0	0	0	0	112.7
10	L	30.7	Very low	32.4	Very low	159 Å²	159	152.1 Å²	152.1	83%	0.832	83%	0.83	S	S	*	*				-166	112.4	123.6	-104.9	160.3	0	0	0	110.7
11	E	30.1	Very low	32.2	Very low	180 Å²	180	150.4 Å²	150.4	84%	0.841	83%	0.83	S	S	*	*			trans	-82.7	158.1	162.9	-64.7	179.7	125.7	0	0	109.9
12	H	29.1	Very low	31.5	Very low	183 Å²	183	143 Å²	143	85%	0.847	80%	0.803	S	S	*	*			trans	-143.4	99	168	-109.1	-66.3	0	0	0	110.4
13	E	29.1	Very low	31.2	Very low	143 Å²	143	137.3 Å²	137.3	67%	0.668	80%	0.8	S	S	*	*			trans	-118.5	133.7	165.6	-95.7	-134.7	103.6	0	0	111.7
14	R	27.8	Very low	30.8	Very low	200 Å²	200	130.8 Å²	130.8	76%	0.755	79%	0.792	S	S	*	*			trans	58.1	125.3	138.9	-73.4	-174.3	170	139	-8.4	123.2
15	C	26.3	Very low	30.3	Very low	117 Å²	117	126.8 Å²	126.8	79%	0.791	80%	0.797	S	S	*	*				91.4	125.2	125.6	-73	0	0	0	0	122.9
16	A	27.7	Very low	29.9	Very low	91 Å²	91	123.9 Å²	123.9	75%	0.752	79%	0.788	S	S	*	*				74.1	100.9	128.6	0	0	0	0	0	122.7
17	A	28.3	Very low	29.6	Very low	100 Å²	100	121.5 Å²	121.5	83%	0.826	80%	0.795	S	S	*	*				74.7	145.2	117.1	0	0	0	0	0	124.1
18	A	27.6	Very low	29	Very low	107 Å²	107	120.5 Å²	120.5	88%	0.884	80%	0.797	S	S	*	*			trans	90.3	145	152.8	0	0	0	0	0	121.3
19	G	27.3	Very low	28.8	Very low	64 Å²	64	117.6 Å²	117.6	66%	0.66	79%	0.788	S	S	*	*			trans	97.5	99.2	175.6	0	0	0	0	0	114.4
20	S	29	Very low	28.7	Very low	122 Å²	122	121.4 Å²	121.4	85%	0.853	80%	0.796	S	S	*	*				68.9	136.6	78.1	74.3	0	0	0	0	114
21	S	28.8	Very low	28.5	Very low	117 Å²	117	121 Å²	121	82%	0.818	79%	0.794	S	S	*	*			cis	-160.2	-173	-1	61.9	0	0	0	0	108.2
22	S	28.7	Very low	28.5	Very low	98 Å²	98	116 Å²	116	69%	0.685	78%	0.784	S	S	*	*			cis	-157.3	-165.6	9	68.7	0	0	0	0	110.5
23	S	31.3	Very low	28.5	Very low	122 Å²	122	114.4 Å²	114.4	85%	0.853	78%	0.782	S	S	*	*			trans	59.9	140.5	168.1	75.3	0	0	0	0	119.8
24	G	27.1	Very low	28.3	Very low	70 Å²	70	111.6 Å²	111.6	72%	0.722	78%	0.777	S	S	*	*			cis	166.8	129.3	-15.6	0	0	0	0	0	114.8
25	S	29.3	Very low	28.4	Very low	132 Å²	132	113.4 Å²	113.4	92%	0.923	78%	0.784	S	S	*	*			trans	64	151.5	172.5	-91.2	0	0	0	0	117.9
26	A	29.4	Very low	28.5	Very low	85 Å²	85	115 Å²	115	70%	0.702	78%	0.784	S	S	*	*			cis	-149.9	134	-13.5	0	0	0	0	0	108.4
27	A	29.4	Very low	28.6	Very low	107 Å²	107	119.8 Å²	119.8	88%	0.884	79%	0.788	S	S	*	*				75.5	142.3	106.2	0	0	0	0	0	116.8
28	A	30.1	Very low	28.8	Very low	103 Å²	103	123.3 Å²	123.3	85%	0.851	79%	0.787	S	S	*	*			trans	-132.9	146.3	177.6	0	0	0	0	0	110.6
29	A	27.7	Very low	28.9	Very low	86 Å²	86	126.2 Å²	126.2	71%	0.711	79%	0.788	S	S	*	*			trans	-176.9	149.4	161.3	0	0	0	0	0	112.4
30	L	27.7	Very low	29.1	Very low	163 Å²	163	130.4 Å²	130.4	85%	0.853	79%	0.794	S	S	*	*			trans	49.8	135.3	140.7	-60.1	166.1	0	0	0	118.9
31	D	27.3	Very low	29.1	Very low	150 Å²	150	135.8 Å²	135.8	80%	0.802	80%	0.796	S	S	*	*			cis	178.9	-180	39.1	-160.1	5.3	0	0	0	112
32	A	29.3	Very low	29.2	Very low	76 Å²	76	136.8 Å²	136.8	63%	0.628	79%	0.791	S	S	*	*			trans	57.9	95.7	143.5	0	0	0	0	0	124.1
33	D	28.9	Very low	29.4	Very low	149 Å²	149	138.5 Å²	138.5	80%	0.797	80%	0.798	S	S	*	*				77.3	152	110.9	-158.7	37.8	0	0	0	125
34	C	26.3	Very low	29.2	Very low	84 Å²	84	136.5 Å²	136.5	57%	0.568	80%	0.796	S	S	*	*			trans	66.4	100.8	150.4	-103.6	0	0	0	0	123.3
35	R	29.4	Very low	29.6	Very low	239 Å²	239	140.4 Å²	140.4	90%	0.902	81%	0.806	S	S	*	*				171.3	114.4	105.6	-89.4	162.6	-174.8	-152.3	1	109.9
36	L	28.3	Very low	29.5	Very low	149 Å²	149	138 Å²	138	78%	0.78	80%	0.803	S	S	*	*				72.9	95.4	60.6	-162.7	151.7	0	0	0	114.2
37	K	29.3	Very low	30.1	Very low	192 Å²	192	139.1 Å²	139.1	84%	0.835	81%	0.812	S	S	*	*			trans	-168.3	113.5	134.8	-110.3	171	-175.1	176.6	0	112.2
38	Q	32.9	Very low	30.3	Very low	175 Å²	175	139 Å²	139	82%	0.818	81%	0.81	S	S	*	*			trans	-76.1	161.3	154.7	-71.2	175.1	-39	0	0	109.7
39	N	29.8	Very low	30.6	Very low	167 Å²	167	140.3 Å²	140.3	89%	0.893	80%	0.799	S	S	*	*			trans	-154.4	136.9	143.6	-105.2	-30	0	0	0	109.6
40	L	31.2	Very low	31.4	Very low	152 Å²	152	142.9 Å²	142.9	80%	0.796	81%	0.808	S	S	*	*			trans	-146.9	102.7	-166.3	-157.9	176.6	0	0	0	110.4
41	R	28.8	Very low	32.4	Very low	235 Å²	235	144.1 Å²	144.1	89%	0.887	80%	0.802	S	S	*	*			trans	-161.9	150.5	171.8	-76.5	-159.8	-179.4	-173.2	0.3	109.3
42	L	31.7	Very low	33.3	Very low	139 Å²	139	141.9 Å²	141.9	73%	0.728	80%	0.797	S	S	*	*			cis	-158.2	174.1	-28.9	-124.4	168.1	0	0	0	107.6
43	T	32.2	Very low	34.2	Very low	133 Å²	133	142.5 Å²	142.5	82%	0.816	80%	0.802	S	S	*	*			trans	-54.8	144.5	-172.9	47.7	0	0	0	0	116.5
44	G	28	Very low	35.1	Very low	80 Å²	80	139.5 Å²	139.5	83%	0.825	80%	0.798	S	S	*	*			trans	-148.8	125.7	159.8	0	0	0	0	0	111
45	T	34.9	Very low	36.2	Very low	152 Å²	152	139.2 Å²	139.2	93%	0.933	79%	0.791	S	S	*	*			trans	-98.4	134.7	-177.1	46.1	0	0	0	0	112.3
46	G	27.8	Very low	37.2	Very low	82 Å²	82	130.7 Å²	130.7	85%	0.845	77%	0.771	S	S	*	*			trans	-160.1	135	168.8	0	0	0	0	0	110.7
47	A	41.3	Very low	38.2	Very low	109 Å²	109	125.6 Å²	125.6	90%	0.901	76%	0.755	S	S	*	*			trans	-102.7	128.7	-177.2	0	0	0	0	0	111.3
48	A	33.2	Very low	39.3	Very low	103 Å²	103	122.2 Å²	122.2	85%	0.851	74%	0.743	S	S	*	*			trans	-150.9	151.1	172.3	0	0	0	0	0	111.6
49	E	37.1	Very low	40.1	Very low	131 Å²	131	120.2 Å²	120.2	61%	0.612	73%	0.732	S	S	*	*			trans	-31.4	145.8	-165.2	-57.4	-167.3	148.7	0	0	121.8	R51	E49-R51 VanDerWaalsContact C-N 3.35Å; E49-R51 PolarHBondContact O-N 3.05Å; E49-R51 IonicContact OE1-CZ 3.32Å; E49-R51 IonicContact OE1-NH1 3.46Å; E49-R51 PolarHBondContact OE1-NH1 2.86Å; E49-R51 WeakPolarHBondContact OE2-CD 3.35Å; E49-R51 IonicContact OE2-CZ 3Å; E49-R51 IonicContact OE2-NE 3.95Å; E49-R51 IonicContact OE2-NH1 2.68Å; E49-R51 PolarHBondContact OE2-NH1 3.2Å
50	P	44.2	Very low	41.2	Very low	140 Å²	140	122.7 Å²	122.7	91%	0.909	73%	0.729	S	S	*	*			trans	-81.6	67.7	170.4	36.2	-36.2	0	0	0	112.8
51	R	49.5	Very low	42.3	Very low	190 Å²	190	118 Å²	118	72%	0.717	71%	0.712	S	S	*	*			trans	-128.3	85.1	178.9	-74.5	-169.4	173.9	133.6	-8.3	114	E49	E49-R51 VanDerWaalsContact C-N 3.35Å; E49-R51 PolarHBondContact O-N 3.05Å; E49-R51 IonicContact OE1-CZ 3.32Å; E49-R51 IonicContact OE1-NH1 3.46Å; E49-R51 PolarHBondContact OE1-NH1 2.86Å; E49-R51 WeakPolarHBondContact OE2-CD 3.35Å; E49-R51 IonicContact OE2-CZ 3Å; E49-R51 IonicContact OE2-NE 3.95Å; E49-R51 IonicContact OE2-NH1 2.68Å; E49-R51 PolarHBondContact OE2-NH1 3.2Å
52	C	44.8	Very low	43.6	Very low	102 Å²	102	110.7 Å²	110.7	69%	0.689	69%	0.69	S	S	*	*	S	Bend	trans	-166.6	-33.3	157.8	-121.9	0	0	0	0	115.7	A54 D55 A56	C52-A54 PolarHBondContact O-N 3.45Å; C52-D55 PolarHBondContact O-N 3.07Å; C52-A56 PolarHBondContact O-N 2.97Å
53	A	48.4	Very low	44.9	Very low	90 Å²	90	106.2 Å²	106.2	74%	0.744	68%	0.677	S	S	*	*	H	α-helix	trans	-61.9	-46	-167.2	0	0	0	0	0	114.8	D55 G57	A53-D55 PolarHBondContact O-N 2.66Å; A53-G57 PolarHBondContact O-N 3.22Å
54	A	48.5	Very low	46.2	Very low	86 Å²	86	110 Å²	110	71%	0.711	68%	0.677	S	S	*	*	H	α-helix	trans	-64.8	-40.7	-177.9	0	0	0	0	0	112.6	C52 G57 M58	C52-A54 PolarHBondContact O-N 3.45Å; A54-G57 PolarHBondContact O-N 3.08Å; A54-M58 WeakPolarHBondContact O-CB 3.42Å; A54-M58 PolarHBondContact O-N 3.17Å
55	D	48.8	Very low	47.7	Very low	78 Å²	78	115.6 Å²	115.6	42%	0.417	67%	0.673	S	S	.	*	H	α-helix	trans	-70.3	-37.7	-178.6	-179.2	34.5	0	0	0	112	C52 A53 G57 M58 K59	C52-D55 PolarHBondContact O-N 3.07Å; A53-D55 PolarHBondContact O-N 2.66Å; D55-G57 VanDerWaalsContact C-N 3.34Å; D55-G57 PolarHBondContact O-N 3.07Å; D55-M58 PolarHBondContact O-N 3.35Å; D55-K59 VanDerWaalsContact CG-NZ 3.35Å; D55-K59 WeakPolarHBondContact O-CB 3.43Å; D55-K59 VanDerWaalsContact O-CG 3.3Å; D55-K59 WeakPolarHBondContact O-CG 3.38Å; D55-K59 PolarHBondContact O-N 2.71Å; D55-K59 WeakPolarHBondContact OD1-CD 3.16Å; D55-K59 WeakPolarHBondContact OD1-CE 3.38Å; D55-K59 IonicContact OD1-NZ 3.63Å; D55-K59 PolarHBondContact OD1-NZ 3.36Å; D55-K59 WeakPolarHBondContact OD2-CE 3.45Å; D55-K59 IonicContact OD2-NZ 3.23Å; D55-K59 PolarHBondContact OD2-NZ 3.09Å
56	A	50.4	Low	49	Very low	59 Å²	59	115 Å²	115	49%	0.488	66%	0.657	S	S	.	*	H	α-helix	trans	-60.5	-41.6	171.3	0	0	0	0	0	112.4	C52 R60	C52-A56 PolarHBondContact O-N 2.97Å; A56-R60 PolarHBondContact O-N 3.2Å
57	G	50.1	Low	51.2	Low	42 Å²	42	112.5 Å²	112.5	43%	0.433	63%	0.632	S	S	.	*	H	α-helix	trans	-63.5	-48.2	173.6	0	0	0	0	0	112.6	A53 A54 D55 K59 R60 A61	A53-G57 PolarHBondContact O-N 3.22Å; A54-G57 PolarHBondContact O-N 3.08Å; D55-G57 VanDerWaalsContact C-N 3.34Å; D55-G57 PolarHBondContact O-N 3.07Å; G57-K59 PolarHBondContact O-N 2.91Å; G57-R60 PolarHBondContact O-N 2.99Å; G57-A61 PolarHBondContact O-N 3.26Å
58	M	51.1	Low	52.9	Low	122 Å²	122	112.1 Å²	112.1	60%	0.601	61%	0.614	S	S	*	*	H	α-helix	trans	-56	-48.2	176.2	-168.3	83.6	83.6	0	0	111.4	A54 D55 A61 L62	A54-M58 WeakPolarHBondContact O-CB 3.42Å; A54-M58 PolarHBondContact O-N 3.17Å; D55-M58 PolarHBondContact O-N 3.35Å; M58-A61 PolarHBondContact O-N 2.69Å; M58-L62 HydrophobicContact CG-CD1 3.99Å; M58-L62 VanDerWaalsContact O-CD1 3.3Å; M58-L62 WeakPolarHBondContact O-CD1 3.42Å; M58-L62 PolarHBondContact O-N 2.82Å; M58-L62 HydrophobicContact SD-CD1 4.43Å
59	K	49.8	Very low	55.2	Low	132 Å²	132	114.5 Å²	114.5	57%	0.574	60%	0.601	S	S	*	*	H	α-helix	trans	-63.5	-41.3	178.6	-75.3	166	173.7	167	0	112.4	D55 G57 L62 G63	D55-K59 VanDerWaalsContact CG-NZ 3.35Å; D55-K59 WeakPolarHBondContact O-CB 3.43Å; D55-K59 VanDerWaalsContact O-CG 3.3Å; D55-K59 WeakPolarHBondContact O-CG 3.38Å; D55-K59 PolarHBondContact O-N 2.71Å; D55-K59 WeakPolarHBondContact OD1-CD 3.16Å; D55-K59 WeakPolarHBondContact OD1-CE 3.38Å; D55-K59 IonicContact OD1-NZ 3.63Å; D55-K59 PolarHBondContact OD1-NZ 3.36Å; D55-K59 WeakPolarHBondContact OD2-CE 3.45Å; D55-K59 IonicContact OD2-NZ 3.23Å; D55-K59 PolarHBondContact OD2-NZ 3.09Å; G57-K59 PolarHBondContact O-N 2.91Å; K59-L62 PolarHBondContact O-N 3.4Å; K59-G63 PolarHBondContact O-N 3.48Å
60	R	54.3	Low	57.3	Low	219 Å²	219	112.5 Å²	112.5	83%	0.826	59%	0.594	S	S	*	*	H	α-helix	trans	-62.6	-42	172.8	-110.7	177.9	173.2	175.7	-1.1	112	A56 G57 G63 R64	A56-R60 PolarHBondContact O-N 3.2Å; G57-R60 PolarHBondContact O-N 2.99Å; R60-G63 PolarHBondContact O-N 3.32Å; R60-R64 WeakPolarHBondContact O-CB 3.46Å; R60-R64 PolarHBondContact O-N 3.12Å
61	A	53.5	Low	59.3	Low	54 Å²	54	114.6 Å²	114.6	45%	0.446	58%	0.584	S	S	.	*	H	α-helix	trans	-66.1	-44.6	177.6	0	0	0	0	0	112.5	G57 M58 R64 R65	G57-A61 PolarHBondContact O-N 3.26Å; M58-A61 PolarHBondContact O-N 2.69Å; A61-R64 PolarHBondContact O-N 2.87Å; A61-R65 PolarHBondContact O-N 2.68Å
62	L	56.1	Low	61.1	Low	82 Å²	82	110.1 Å²	110.1	43%	0.429	57%	0.574	S	S	.	*	H	α-helix	trans	-62.1	-43	173.7	-96.1	83.1	0	0	0	111.9	M58 K59 R64 R65 K66	M58-L62 HydrophobicContact CG-CD1 3.99Å; M58-L62 VanDerWaalsContact O-CD1 3.3Å; M58-L62 WeakPolarHBondContact O-CD1 3.42Å; M58-L62 PolarHBondContact O-N 2.82Å; M58-L62 HydrophobicContact SD-CD1 4.43Å; K59-L62 PolarHBondContact O-N 3.4Å; L62-R64 VanDerWaalsContact C-N 3.35Å; L62-R64 PolarHBondContact O-N 3.14Å; L62-R65 PolarHBondContact O-N 3.36Å; L62-K66 WeakPolarHBondContact O-CB 3.39Å; L62-K66 WeakPolarHBondContact O-CG 3.3Å; L62-K66 PolarHBondContact O-N 3.19Å
63	G	58.6	Low	63.2	Low	44 Å²	44	111 Å²	111	45%	0.454	56%	0.562	S	S	.	*	H	α-helix	trans	-59.1	-44.6	176.2	0	0	0	0	0	112.2	K59 R60 K66 G67	K59-G63 PolarHBondContact O-N 3.48Å; R60-G63 PolarHBondContact O-N 3.32Å; G63-K66 PolarHBondContact O-N 3.49Å; G63-G67 PolarHBondContact O-N 2.98Å
64	R	59.1	Low	65.2	Low	214 Å²	214	114 Å²	114	81%	0.808	56%	0.559	S	S	*	*	H	α-helix	trans	-66.2	-40	177.5	-150.7	172.8	-171.4	-179.1	1.8	112	R60 A61 L62 L68	R60-R64 WeakPolarHBondContact O-CB 3.46Å; R60-R64 PolarHBondContact O-N 3.12Å; A61-R64 PolarHBondContact O-N 2.87Å; L62-R64 VanDerWaalsContact C-N 3.35Å; L62-R64 PolarHBondContact O-N 3.14Å; R64-L68 WeakPolarHBondContact O-CB 3.49Å; R64-L68 PolarHBondContact O-N 3.24Å
65	R	60.3	Low	67.2	Low	196 Å²	196	114.8 Å²	114.8	74%	0.74	55%	0.55	S	S	*	*	H	α-helix	trans	-64.8	-45.4	172.8	-78.1	-177	172.5	179.3	-1.9	112.6	A61 L62 L68 W69	A61-R65 PolarHBondContact O-N 2.68Å; L62-R65 PolarHBondContact O-N 3.36Å; R65-L68 PolarHBondContact O-N 3.05Å; R65-W69 WeakPolarHBondContact O-CB 3.35Å; R65-W69 PolarHBondContact O-N 3.38Å
66	K	63.2	Low	69.2	Low	140 Å²	140	116.6 Å²	116.6	61%	0.609	56%	0.559	S	S	*	*	H	α-helix	trans	-62.4	-42.3	175.9	-74.5	-178.6	177.9	-175.2	0	111.7	L62 G63 W69 L70	L62-K66 WeakPolarHBondContact O-CB 3.39Å; L62-K66 WeakPolarHBondContact O-CG 3.3Å; L62-K66 PolarHBondContact O-N 3.19Å; G63-K66 PolarHBondContact O-N 3.49Å; K66-W69 PolarHBondContact O-N 3.45Å; K66-L70 WeakPolarHBondContact O-CB 3.41Å; K66-L70 WeakPolarHBondContact O-CG 3.44Å; K66-L70 PolarHBondContact O-N 2.87Å
67	G	72.6	Confident	71.2	Confident	30 Å²	30	119.7 Å²	119.7	31%	0.309	56%	0.562	S	S	.	*	H	α-helix	trans	-62.8	-40.9	174.9	0	0	0	0	0	113.2	G63 R71	G63-G67 PolarHBondContact O-N 2.98Å; G67-R71 WeakPolarHBondContact O-CG 3.49Å; G67-R71 PolarHBondContact O-N 2.87Å; G67-R71 VanDerWaalsContact O-N 3.11Å
68	L	77.2	Confident	73.1	Confident	100 Å²	100	121.6 Å²	121.6	52%	0.524	57%	0.567	S	S	.	*	H	α-helix	trans	-64.4	-46.5	173.4	-179.4	61.6	0	0	0	111.7	R64 R65 L70 R71 L72	R64-L68 WeakPolarHBondContact O-CB 3.49Å; R64-L68 PolarHBondContact O-N 3.24Å; R65-L68 PolarHBondContact O-N 3.05Å; L68-L70 VanDerWaalsContact C-N 3.34Å; L68-L70 PolarHBondContact O-N 3.38Å; L68-R71 WeakPolarHBondContact O-CB 3.44Å; L68-R71 PolarHBondContact O-N 2.86Å; L68-R71 VanDerWaalsContact O-N 3.12Å; L68-L72 HydrophobicContact CD1-CD1 4.4Å; L68-L72 HydrophobicContact CD1-CG 4.38Å; L68-L72 HydrophobicContact CG-CD1 4.06Å; L68-L72 HydrophobicContact CG-CG 4.47Å; L68-L72 WeakPolarHBondContact O-CG 3.48Å; L68-L72 PolarHBondContact O-N 3.24Å
69	W	80.8	Confident	75	Confident	154 Å²	154	120 Å²	120	58%	0.583	56%	0.564	S	S	*	*	H	α-helix	trans	-60.8	-40.7	177.5	-175.1	82.4	0	0	0	112.4	R65 K66 R71 L72 R73	R65-W69 WeakPolarHBondContact O-CB 3.35Å; R65-W69 PolarHBondContact O-N 3.38Å; K66-W69 PolarHBondContact O-N 3.45Å; W69-R71 VanDerWaalsContact C-N 3.35Å; W69-R71 PolarHBondContact O-N 2.95Å; W69-L72 PolarHBondContact O-N 3.39Å; W69-R73 WeakPolarHBondContact O-CB 3.41Å; W69-R73 PolarHBondContact O-N 3.39Å
70	L	82.4	Confident	76.9	Confident	89 Å²	89	117.6 Å²	117.6	47%	0.466	56%	0.557	S	S	.	*	H	α-helix	trans	-64.5	-35.5	173.9	-73.3	169.6	0	0	0	112.8	K66 L68 K74	K66-L70 WeakPolarHBondContact O-CB 3.41Å; K66-L70 WeakPolarHBondContact O-CG 3.44Å; K66-L70 PolarHBondContact O-N 2.87Å; L68-L70 VanDerWaalsContact C-N 3.34Å; L68-L70 PolarHBondContact O-N 3.38Å; L70-K74 WeakPolarHBondContact O-CG 3.48Å; L70-K74 PolarHBondContact O-N 3.43Å
71	R	85.3	Confident	78.6	Confident	183 Å²	183	109 Å²	109	69%	0.691	54%	0.536	S	S	*	.	H	α-helix	trans	-67.6	-48	172.7	-72.5	176	-178.8	-159.8	-0.9	111.4	G67 L68 W69 R73 K74 I75	G67-R71 WeakPolarHBondContact O-CG 3.49Å; G67-R71 PolarHBondContact O-N 2.87Å; G67-R71 VanDerWaalsContact O-N 3.11Å; L68-R71 WeakPolarHBondContact O-CB 3.44Å; L68-R71 PolarHBondContact O-N 2.86Å; L68-R71 VanDerWaalsContact O-N 3.12Å; W69-R71 VanDerWaalsContact C-N 3.35Å; W69-R71 PolarHBondContact O-N 2.95Å; R71-R73 VanDerWaalsContact C-N 3.32Å; R71-R73 PolarHBondContact O-N 2.79Å; R71-K74 PolarHBondContact O-N 3.27Å; R71-I75 WeakPolarHBondContact O-CG1 3.47Å; R71-I75 PolarHBondContact O-N 3.47Å
72	L	88.5	Confident	80.2	Confident	97 Å²	97	111.6 Å²	111.6	51%	0.508	54%	0.543	S	S	.	.	H	α-helix	trans	-58.9	-42.1	176	-69.5	170.1	0	0	0	111.6	L68 W69 I75 L76	L68-L72 HydrophobicContact CD1-CD1 4.4Å; L68-L72 HydrophobicContact CD1-CG 4.38Å; L68-L72 HydrophobicContact CG-CD1 4.06Å; L68-L72 HydrophobicContact CG-CG 4.47Å; L68-L72 WeakPolarHBondContact O-CG 3.48Å; L68-L72 PolarHBondContact O-N 3.24Å; W69-L72 PolarHBondContact O-N 3.39Å; L72-I75 PolarHBondContact O-N 3.03Å; L72-L76 WeakPolarHBondContact O-CB 3.4Å; L72-L76 PolarHBondContact O-N 2.81Å
73	R	88.9	Confident	81.7	Confident	119 Å²	119	110.8 Å²	110.8	45%	0.449	53%	0.534	S	S	.	.	H	α-helix	trans	-65	-38.5	176	-161.2	-178.6	80.3	162.6	5.9	112.4	W69 R71 F77	W69-R73 WeakPolarHBondContact O-CB 3.41Å; W69-R73 PolarHBondContact O-N 3.39Å; R71-R73 VanDerWaalsContact C-N 3.32Å; R71-R73 PolarHBondContact O-N 2.79Å; R73-F77 HydrophobicContact CG-CD2 4.03Å; R73-F77 HydrophobicContact CG-CE2 3.7Å; R73-F77 WeakPolarHBondContact O-CD2 3.12Å; R73-F77 PolarHBondContact O-N 3.43Å
74	K	89.4	Confident	83.1	Confident	155 Å²	155	112.4 Å²	112.4	67%	0.674	53%	0.532	S	S	*	.	H	α-helix	trans	-63.3	-46.7	171.9	-79.3	-172.8	174.8	-166.6	0	111.5	L70 R71 L76 F77 C78	L70-K74 WeakPolarHBondContact O-CG 3.48Å; L70-K74 PolarHBondContact O-N 3.43Å; R71-K74 PolarHBondContact O-N 3.27Å; K74-L76 VanDerWaalsContact C-N 3.34Å; K74-L76 PolarHBondContact O-N 3.07Å; K74-F77 PolarHBondContact O-N 3.36Å; K74-C78 PolarHBondContact O-N 3.14Å; K74-C78 PolarHBondContact O-SG 3.43Å
75	I	90.7	Very high	84.5	Confident	102 Å²	102	104.6 Å²	104.6	52%	0.523	51%	0.513	S	S	.	.	H	α-helix	trans	-58.3	-46.4	176.9	-67.2	162.8	0	0	0	110.4	R71 L72 F77 C78 V79	R71-I75 WeakPolarHBondContact O-CG1 3.47Å; R71-I75 PolarHBondContact O-N 3.47Å; L72-I75 PolarHBondContact O-N 3.03Å; I75-F77 PolarHBondContact O-N 3Å; I75-C78 PolarHBondContact O-N 3.02Å; I75-V79 HydrophobicContact CG2-CG2 4.34Å; I75-V79 WeakPolarHBondContact O-CG2 3.14Å; I75-V79 PolarHBondContact O-N 2.78Å
76	L	91.6	Very high	85.8	Confident	115 Å²	115	98.4 Å²	98.4	60%	0.602	49%	0.494	S	S	*	.	H	α-helix	trans	-59	-44.9	177.1	-178.4	62.7	0	0	0	112.3	L72 K74 V79 L80	L72-L76 WeakPolarHBondContact O-CB 3.4Å; L72-L76 PolarHBondContact O-N 2.81Å; K74-L76 VanDerWaalsContact C-N 3.34Å; K74-L76 PolarHBondContact O-N 3.07Å; L76-V79 PolarHBondContact O-N 3.47Å; L76-L80 VanDerWaalsContact O-CB 3.31Å; L76-L80 WeakPolarHBondContact O-CB 3.35Å; L76-L80 PolarHBondContact O-N 2.97Å
77	F	92.5	Very high	86.9	Confident	125 Å²	125	91.7 Å²	91.7	55%	0.548	47%	0.465	S	S	.	.	H	α-helix	trans	-67	-35.2	175.4	-76.8	-54.9	0	0	0	113.2	R73 K74 I75 G81	R73-F77 HydrophobicContact CG-CD2 4.03Å; R73-F77 HydrophobicContact CG-CE2 3.7Å; R73-F77 WeakPolarHBondContact O-CD2 3.12Å; R73-F77 PolarHBondContact O-N 3.43Å; K74-F77 PolarHBondContact O-N 3.36Å; I75-F77 PolarHBondContact O-N 3Å; F77-G81 PolarHBondContact O-N 3.42Å
78	C	89.8	Confident	87.6	Confident	81 Å²	81	95 Å²	95	55%	0.547	47%	0.471	S	S	.	.	H	α-helix	trans	-66.3	-43.5	173.5	-68.4	0	0	0	0	111.9	K74 I75 G81 L82	K74-C78 PolarHBondContact O-N 3.14Å; K74-C78 PolarHBondContact O-SG 3.43Å; I75-C78 PolarHBondContact O-N 3.02Å; C78-G81 PolarHBondContact O-N 3.38Å; C78-L82 WeakPolarHBondContact O-CB 3.41Å; C78-L82 VanDerWaalsContact O-CG 3.31Å; C78-L82 WeakPolarHBondContact O-CG 3.33Å; C78-L82 PolarHBondContact O-N 2.88Å
79	V	89.9	Confident	88	Confident	88 Å²	88	94.6 Å²	94.6	53%	0.533	47%	0.468	S	S	.	.	H	α-helix	trans	-64.6	-44	176.3	171.3	0	0	0	0	111	I75 L76 L82 Y83	I75-V79 HydrophobicContact CG2-CG2 4.34Å; I75-V79 WeakPolarHBondContact O-CG2 3.14Å; I75-V79 PolarHBondContact O-N 2.78Å; L76-V79 PolarHBondContact O-N 3.47Å; V79-L82 PolarHBondContact O-N 2.94Å; V79-Y83 WeakPolarHBondContact O-CB 3.41Å; V79-Y83 PolarHBondContact O-N 2.74Å
80	L	90	Very high	88.1	Confident	82 Å²	82	88.3 Å²	88.3	43%	0.429	45%	0.446	S	S	.	.	H	α-helix	trans	-64.4	-40.3	175.9	-178.2	61.6	0	0	0	112	L76 Y83 I84	L76-L80 VanDerWaalsContact O-CB 3.31Å; L76-L80 WeakPolarHBondContact O-CB 3.35Å; L76-L80 PolarHBondContact O-N 2.97Å; L80-Y83 HydrophobicContact CD1-CD1 4.31Å; L80-Y83 PolarHBondContact O-N 3.05Å; L80-I84 HydrophobicContact CD1-CD1 4.03Å; L80-I84 HydrophobicContact CD1-CG1 4.4Å; L80-I84 HydrophobicContact CG-CD1 4.02Å; L80-I84 WeakPolarHBondContact O-CG1 3.28Å; L80-I84 PolarHBondContact O-N 3.39Å
81	G	90.3	Very high	88.2	Confident	38 Å²	38	86.6 Å²	86.6	39%	0.392	44%	0.435	S	S	.	.	H	α-helix	trans	-63.9	-43.3	175.3	0	0	0	0	0	112.7	F77 C78 I84 A85	F77-G81 PolarHBondContact O-N 3.42Å; C78-G81 PolarHBondContact O-N 3.38Å; G81-I84 PolarHBondContact O-N 2.89Å; G81-A85 VanDerWaalsContact O-CB 3.23Å; G81-A85 WeakPolarHBondContact O-CB 3.32Å; G81-A85 PolarHBondContact O-N 3.18Å
82	L	87.9	Confident	88.2	Confident	110 Å²	110	84 Å²	84	58%	0.576	43%	0.434	S	S	*	.	H	α-helix	trans	-63.7	-45	173.8	-73.7	167.8	0	0	0	111.7	C78 V79 I84 A85 I86	C78-L82 WeakPolarHBondContact O-CB 3.41Å; C78-L82 VanDerWaalsContact O-CG 3.31Å; C78-L82 WeakPolarHBondContact O-CG 3.33Å; C78-L82 PolarHBondContact O-N 2.88Å; V79-L82 PolarHBondContact O-N 2.94Å; L82-I84 VanDerWaalsContact C-N 3.34Å; L82-I84 PolarHBondContact O-N 3.01Å; L82-A85 PolarHBondContact O-N 3.29Å; L82-I86 WeakPolarHBondContact O-CD1 3.29Å; L82-I86 VanDerWaalsContact O-CG1 3.26Å; L82-I86 WeakPolarHBondContact O-CG1 3.45Å; L82-I86 PolarHBondContact O-N 2.94Å
83	Y	87.4	Confident	88	Confident	65 Å²	65	81.6 Å²	81.6	26%	0.255	43%	0.425	S	S	.	.	H	α-helix	trans	-57	-45.4	175.3	174	-105.7	0	0	0	111.7	V79 L80 P87 I290 Y291 F294	V79-Y83 WeakPolarHBondContact O-CB 3.41Å; V79-Y83 PolarHBondContact O-N 2.74Å; L80-Y83 HydrophobicContact CD1-CD1 4.31Å; L80-Y83 PolarHBondContact O-N 3.05Å; Y83-P87 WeakPolarHBondContact O-CD 3.27Å; Y83-I290 HydrophobicContact CD2-CG2 4.39Å; Y83-I290 HydrophobicContact CE2-CG2 4.09Å; Y83-I290 WeakPolarHBondContact CE2-O 3.28Å; Y83-I290 PolarHBondContact OH-O 3.02Å; Y83-Y291 HydrophobicContact CD2-CD1 4Å; Y83-Y291 AromaticContact CD2-CE1 3.28Å; Y83-Y291 HydrophobicContact CD2-CE1 3.28Å; Y83-Y291 AromaticContact CD2-CZ 3.58Å; Y83-Y291 AromaticContact CE2-CD1 3.46Å; Y83-Y291 HydrophobicContact CE2-CD1 3.46Å; Y83-Y291 VanDerWaalsContact CE2-CD1 3.46Å; Y83-Y291 AromaticContact CE2-CE1 3.27Å; Y83-Y291 HydrophobicContact CE2-CE1 3.27Å; Y83-Y291 HydrophobicContact CE2-CG 4.2Å; Y83-Y291 AromaticContact CE2-CZ 3.87Å; Y83-Y291 HydrophobicContact CG-CE1 4.15Å; Y83-Y291 WeakPolarHBondContact O-CE1 3.24Å; Y83-F294 AromaticContact CE1-CD2 3.75Å; Y83-F294 HydrophobicContact CE1-CD2 3.75Å; Y83-F294 HydrophobicContact CE1-CE2 4.05Å; Y83-F294 AromaticContact CZ-CD2 3.8Å
84	I	88.2	Confident	87.5	Confident	78 Å²	78	79.6 Å²	79.6	40%	0.4	43%	0.427	S	S	.	.	H	α-helix	trans	-70	-35.2	176.9	-66.1	167.2	0	0	0	111.7	L80 G81 L82 P87 F88	L80-I84 HydrophobicContact CD1-CD1 4.03Å; L80-I84 HydrophobicContact CD1-CG1 4.4Å; L80-I84 HydrophobicContact CG-CD1 4.02Å; L80-I84 WeakPolarHBondContact O-CG1 3.28Å; L80-I84 PolarHBondContact O-N 3.39Å; G81-I84 PolarHBondContact O-N 2.89Å; L82-I84 VanDerWaalsContact C-N 3.34Å; L82-I84 PolarHBondContact O-N 3.01Å; I84-P87 WeakPolarHBondContact O-CD 3.23Å; I84-F88 HydrophobicContact CG2-CE2 4.45Å; I84-F88 VanDerWaalsContact O-CD2 3.25Å; I84-F88 WeakPolarHBondContact O-CD2 3.23Å
85	A	88.6	Confident	86.9	Confident	50 Å²	50	74.7 Å²	74.7	41%	0.413	42%	0.42	S	S	.	.	H	α-helix	trans	-75.5	-33.3	-176.2	0	0	0	0	0	114.4	G81 L82 F88 L89	G81-A85 VanDerWaalsContact O-CB 3.23Å; G81-A85 WeakPolarHBondContact O-CB 3.32Å; G81-A85 PolarHBondContact O-N 3.18Å; L82-A85 PolarHBondContact O-N 3.29Å; A85-F88 PolarHBondContact O-N 3.18Å; A85-L89 PolarHBondContact O-N 3.48Å
86	I	86.9	Confident	86.3	Confident	65 Å²	65	73.1 Å²	73.1	33%	0.333	41%	0.412	S	S	.	.	H	α-helix	trans	-57.7	-47.8	-176.3	-76.8	162.1	0	0	0	113.4	L82 F88 L89 I90 Y291	L82-I86 WeakPolarHBondContact O-CD1 3.29Å; L82-I86 VanDerWaalsContact O-CG1 3.26Å; L82-I86 WeakPolarHBondContact O-CG1 3.45Å; L82-I86 PolarHBondContact O-N 2.94Å; I86-F88 VanDerWaalsContact C-N 3.33Å; I86-F88 PolarHBondContact O-N 2.95Å; I86-L89 PolarHBondContact O-N 2.95Å; I86-I90 HydrophobicContact CG2-CD1 3.81Å; I86-I90 WeakPolarHBondContact O-CG1 3.45Å; I86-I90 PolarHBondContact O-N 3.06Å; I86-Y291 WeakPolarHBondContact CD1-OH 3.36Å; I86-Y291 HydrophobicContact CG2-CE2 4.39Å
87	P	86.3	Confident	85.7	Confident	0 Å²	0	68 Å²	68	0%	0	39%	0.385	C	S	.	.	H	α-helix	trans	-53.2	-46.1	173.7	-26.1	31.4	0	0	0	113.3	Y83 I84 I90 K91 Y291 F294 F300 F301	Y83-P87 WeakPolarHBondContact O-CD 3.27Å; I84-P87 WeakPolarHBondContact O-CD 3.23Å; P87-I90 PolarHBondContact O-N 3.19Å; P87-K91 WeakPolarHBondContact O-CB 3.41Å; P87-K91 PolarHBondContact O-N 3.11Å; P87-Y291 HydrophobicContact CG-CD1 3.93Å; P87-Y291 HydrophobicContact CG-CE1 3.76Å; P87-F294 HydrophobicContact CB-CE1 4.21Å; P87-F294 HydrophobicContact CG-CD1 4.39Å; P87-F294 HydrophobicContact CG-CE1 4.08Å; P87-F294 HydrophobicContact CG-CE2 4.37Å; P87-F294 HydrophobicContact CG-CZ 4.06Å; P87-F300 VanDerWaalsContact C-CD1 3.49Å; P87-F300 HydrophobicContact CB-CB 3.91Å; P87-F300 HydrophobicContact CB-CD1 3.56Å; P87-F300 HydrophobicContact CB-CD2 4.23Å; P87-F300 HydrophobicContact CB-CE1 4.07Å; P87-F300 HydrophobicContact CB-CG 3.65Å; P87-F300 WeakPolarHBondContact O-CD1 3.38Å; P87-F301 HydrophobicContact CB-CE2 3.86Å; P87-F301 HydrophobicContact CB-CZ 4.02Å; P87-F301 HydrophobicContact CG-CE2 3.86Å; P87-F301 HydrophobicContact CG-CZ 3.82Å
88	F	87.8	Confident	85	Confident	99 Å²	99	63.4 Å²	63.4	43%	0.434	37%	0.37	S	S	.	.	H	α-helix	trans	-67.7	-40.9	179.4	-70.6	-102.1	0	0	0	111.8	I84 A85 I86 I90 K91 L92 F300	I84-F88 HydrophobicContact CG2-CE2 4.45Å; I84-F88 VanDerWaalsContact O-CD2 3.25Å; I84-F88 WeakPolarHBondContact O-CD2 3.23Å; A85-F88 PolarHBondContact O-N 3.18Å; I86-F88 VanDerWaalsContact C-N 3.33Å; I86-F88 PolarHBondContact O-N 2.95Å; F88-I90 VanDerWaalsContact C-N 3.34Å; F88-I90 PolarHBondContact O-N 3.4Å; F88-K91 PolarHBondContact O-N 3.01Å; F88-L92 HydrophobicContact CB-CD1 4.46Å; F88-L92 VanDerWaalsContact O-CB 3.26Å; F88-L92 WeakPolarHBondContact O-CB 3.5Å; F88-L92 WeakPolarHBondContact O-CG 3.32Å; F88-L92 PolarHBondContact O-N 3.44Å; F88-F300 HydrophobicContact CB-CE1 4.48Å; F88-F300 AromaticContact CD1-CE1 3.86Å; F88-F300 HydrophobicContact CD1-CE1 3.86Å; F88-F300 HydrophobicContact CD1-CZ 4.3Å; F88-F300 AromaticContact CD2-CE1 3.67Å; F88-F300 HydrophobicContact CD2-CE1 3.67Å; F88-F300 AromaticContact CD2-CZ 3.97Å; F88-F300 HydrophobicContact CD2-CZ 3.97Å; F88-F300 AromaticContact CE1-CE1 3.95Å; F88-F300 HydrophobicContact CE1-CE1 3.95Å; F88-F300 AromaticContact CE1-CZ 3.92Å; F88-F300 HydrophobicContact CE1-CZ 3.92Å; F88-F300 AromaticContact CE2-CE1 3.79Å; F88-F300 HydrophobicContact CE2-CE1 3.79Å; F88-F300 AromaticContact CE2-CZ 3.57Å; F88-F300 HydrophobicContact CE2-CZ 3.57Å; F88-F300 AromaticContact CG-CE1 3.73Å; F88-F300 HydrophobicContact CG-CE1 3.73Å; F88-F300 HydrophobicContact CG-CZ 4.33Å; F88-F300 AromaticContact CZ-CE1 3.93Å; F88-F300 HydrophobicContact CZ-CE1 3.93Å; F88-F300 AromaticContact CZ-CZ 3.55Å; F88-F300 HydrophobicContact CZ-CZ 3.55Å
89	L	85.4	Confident	84.6	Confident	91 Å²	91	65.4 Å²	65.4	48%	0.476	37%	0.37	S	S	.	.	H	α-helix	trans	-61.2	-42.3	177.2	-178.7	63.3	0	0	0	111.7	A85 I86 C93 I96	A85-L89 PolarHBondContact O-N 3.48Å; I86-L89 PolarHBondContact O-N 2.95Å; L89-C93 WeakPolarHBondContact O-CB 3.38Å; L89-C93 PolarHBondContact O-N 2.89Å; L89-C93 VanDerWaalsContact O-N 3.14Å; L89-I96 HydrophobicContact CD1-CD1 4.02Å; L89-I96 HydrophobicContact CD2-CD1 4.49Å; L89-I96 HydrophobicContact CG-CD1 4.12Å
90	I	82.3	Confident	84.2	Confident	22 Å²	22	65.4 Å²	65.4	11%	0.113	37%	0.366	C	S	.	.	H	α-helix	trans	-64.7	-47.4	176.2	-68.2	167.1	0	0	0	110.3	I86 P87 F88 L92 C93 Q97 L100 F301	I86-I90 HydrophobicContact CG2-CD1 3.81Å; I86-I90 WeakPolarHBondContact O-CG1 3.45Å; I86-I90 PolarHBondContact O-N 3.06Å; P87-I90 PolarHBondContact O-N 3.19Å; F88-I90 VanDerWaalsContact C-N 3.34Å; F88-I90 PolarHBondContact O-N 3.4Å; I90-L92 PolarHBondContact O-N 3.32Å; I90-C93 PolarHBondContact O-N 3.26Å; I90-Q97 HydrophobicContact CG2-CB 4.18Å; I90-Q97 HydrophobicContact CG2-CG 4.14Å; I90-L100 HydrophobicContact CD1-CD1 3.99Å; I90-L100 HydrophobicContact CG1-CD1 3.91Å; I90-F301 HydrophobicContact CD1-CD1 4.17Å; I90-F301 HydrophobicContact CD1-CE1 3.6Å; I90-F301 HydrophobicContact CD1-CZ 4.49Å
91	K	83.8	Confident	83.8	Confident	54 Å²	54	62.4 Å²	62.4	24%	0.235	35%	0.351	C	S	.	.	H	α-helix	trans	-62.7	-35.9	179.5	-178.9	62.9	169.8	-162.9	0	113.8	P87 F88 W299 F300 P304	P87-K91 WeakPolarHBondContact O-CB 3.41Å; P87-K91 PolarHBondContact O-N 3.11Å; F88-K91 PolarHBondContact O-N 3.01Å; K91-W299 WeakPolarHBondContact CE-O 3.31Å; K91-W299 HydrophobicContact CG-CH2 4.3Å; K91-W299 HydrophobicContact CG-CZ3 4.19Å; K91-W299 PolarHBondContact NZ-O 2.83Å; K91-F300 HydrophobicContact CB-CD1 3.98Å; K91-F300 HydrophobicContact CG-CD1 4.36Å; K91-P304 HydrophobicContact CD-CG 3.51Å
92	L	85.7	Confident	83.6	Confident	129 Å²	129	60.7 Å²	60.7	68%	0.675	33%	0.332	S	S	*	.	H	α-helix	trans	-88.7	-11.3	-177.1	-67.5	170.6	0	0	0	113.6	F88 I90	F88-L92 HydrophobicContact CB-CD1 4.46Å; F88-L92 VanDerWaalsContact O-CB 3.26Å; F88-L92 WeakPolarHBondContact O-CB 3.5Å; F88-L92 WeakPolarHBondContact O-CG 3.32Å; F88-L92 PolarHBondContact O-N 3.44Å; I90-L92 PolarHBondContact O-N 3.32Å
93	C	84.8	Confident	83.6	Confident	46 Å²	46	58 Å²	58	31%	0.311	32%	0.318	S	S	.	.			trans	-130.1	83.1	-177.2	-67	0	0	0	0	111.9	L89 I90 G95 I96 Q97	L89-C93 WeakPolarHBondContact O-CB 3.38Å; L89-C93 PolarHBondContact O-N 2.89Å; L89-C93 VanDerWaalsContact O-N 3.14Å; I90-C93 PolarHBondContact O-N 3.26Å; C93-G95 PolarHBondContact O-N 2.84Å; C93-G95 VanDerWaalsContact O-N 3.09Å; C93-I96 HydrophobicContact CB-CB 4.01Å; C93-I96 HydrophobicContact CB-CD1 3.65Å; C93-I96 HydrophobicContact CB-CG1 3.77Å; C93-I96 WeakPolarHBondContact O-CA 3.34Å; C93-I96 WeakPolarHBondContact O-CB 3.33Å; C93-I96 PolarHBondContact O-N 3.32Å; C93-Q97 PolarHBondContact O-N 3.33Å; C93-Q97 VanDerWaalsContact O-N 3.14Å
94	P	77.3	Confident	83.4	Confident	77 Å²	77	56 Å²	56	50%	0.5	31%	0.312	S	S	.	.	H	α-helix	trans	-53.6	-32.6	178.3	-28.2	35.7	0	0	0	114.1	I96 Q97 A98	P94-I96 VanDerWaalsContact C-N 3.33Å; P94-I96 PolarHBondContact O-N 3.01Å; P94-Q97 PolarHBondContact O-N 3.34Å; P94-A98 WeakPolarHBondContact O-CB 3.5Å; P94-A98 PolarHBondContact O-N 3.23Å
95	G	77.5	Confident	83.2	Confident	51 Å²	51	58.1 Å²	58.1	53%	0.526	32%	0.318	S	S	.	.	H	α-helix	trans	-69.4	-23.3	174.9	0	0	0	0	0	114.9	C93 K99	C93-G95 PolarHBondContact O-N 2.84Å; C93-G95 VanDerWaalsContact O-N 3.09Å; G95-K99 WeakPolarHBondContact O-CG 3.43Å
96	I	79.2	Confident	82.8	Confident	69 Å²	69	57.7 Å²	57.7	35%	0.354	31%	0.311	S	S	.	.	H	α-helix	trans	-78.4	-46.9	169.7	-63.5	179.6	0	0	0	109	L89 C93 P94 A98 K99 L100	L89-I96 HydrophobicContact CD1-CD1 4.02Å; L89-I96 HydrophobicContact CD2-CD1 4.49Å; L89-I96 HydrophobicContact CG-CD1 4.12Å; C93-I96 HydrophobicContact CB-CB 4.01Å; C93-I96 HydrophobicContact CB-CD1 3.65Å; C93-I96 HydrophobicContact CB-CG1 3.77Å; C93-I96 WeakPolarHBondContact O-CA 3.34Å; C93-I96 WeakPolarHBondContact O-CB 3.33Å; C93-I96 PolarHBondContact O-N 3.32Å; P94-I96 VanDerWaalsContact C-N 3.33Å; P94-I96 PolarHBondContact O-N 3.01Å; I96-A98 PolarHBondContact O-N 2.92Å; I96-K99 PolarHBondContact O-N 3.27Å; I96-L100 HydrophobicContact CG2-CD1 3.98Å; I96-L100 HydrophobicContact CG2-CG 4.33Å; I96-L100 WeakPolarHBondContact O-CG 3.5Å; I96-L100 PolarHBondContact O-N 2.69Å
97	Q	77.2	Confident	82.5	Confident	8 Å²	8	61.1 Å²	61.1	4%	0.037	32%	0.319	C	S	.	.	H	α-helix	trans	-56.5	-48.4	177.5	-175.6	-148.3	-52.9	0	0	112.2	I90 C93 P94 K99 L100 I101 P304 S308	I90-Q97 HydrophobicContact CG2-CB 4.18Å; I90-Q97 HydrophobicContact CG2-CG 4.14Å; C93-Q97 PolarHBondContact O-N 3.33Å; C93-Q97 VanDerWaalsContact O-N 3.14Å; P94-Q97 PolarHBondContact O-N 3.34Å; Q97-K99 VanDerWaalsContact C-N 3.33Å; Q97-K99 PolarHBondContact O-N 3.02Å; Q97-L100 PolarHBondContact O-N 3.27Å; Q97-L100 VanDerWaalsContact O-N 3.11Å; Q97-I101 HydrophobicContact CG-CD1 4.21Å; Q97-I101 WeakPolarHBondContact O-CG1 3.45Å; Q97-I101 PolarHBondContact O-N 3.35Å; Q97-P304 VanDerWaalsContact NE2-C 3.31Å; Q97-P304 PolarHBondContact NE2-O 2.75Å; Q97-P304 VanDerWaalsContact NE2-O 3.15Å; Q97-S308 PolarHBondContact NE2-OG 3.21Å; Q97-S308 VanDerWaalsContact NE2-OG 3.09Å
98	A	78.9	Confident	81.9	Confident	29 Å²	29	64 Å²	64	24%	0.24	34%	0.337	C	S	.	.	H	α-helix	trans	-59.3	-42.2	176.3	0	0	0	0	0	112.1	P94 I96 L100 I101 F102	P94-A98 WeakPolarHBondContact O-CB 3.5Å; P94-A98 PolarHBondContact O-N 3.23Å; I96-A98 PolarHBondContact O-N 2.92Å; A98-L100 VanDerWaalsContact C-N 3.34Å; A98-L100 PolarHBondContact O-N 3.45Å; A98-I101 PolarHBondContact O-N 3.17Å; A98-F102 HydrophobicContact CB-CD2 4.38Å; A98-F102 HydrophobicContact CB-CE2 4.43Å; A98-F102 WeakPolarHBondContact O-CB 3.39Å; A98-F102 WeakPolarHBondContact O-CD2 3.43Å; A98-F102 PolarHBondContact O-N 3.36Å
99	K	81.9	Confident	81.5	Confident	122 Å²	122	60.6 Å²	60.6	53%	0.53	33%	0.325	S	S	.	.	H	α-helix	trans	-64.4	-35.5	174.1	-76.3	178.1	179.4	-177.9	0	112.7	G95 I96 Q97 L103 F105	G95-K99 WeakPolarHBondContact O-CG 3.43Å; I96-K99 PolarHBondContact O-N 3.27Å; Q97-K99 VanDerWaalsContact C-N 3.33Å; Q97-K99 PolarHBondContact O-N 3.02Å; K99-L103 VanDerWaalsContact O-CA 3.26Å; K99-L103 WeakPolarHBondContact O-CA 3.38Å; K99-L103 PolarHBondContact O-N 3.13Å; K99-F105 HydrophobicContact CB-CD1 4.17Å; K99-F105 HydrophobicContact CB-CE1 4.04Å; K99-F105 HydrophobicContact CG-CD1 4.46Å; K99-F105 WeakPolarHBondContact O-CE1 3.44Å
100	L	80.7	Confident	81.1	Confident	88 Å²	88	64 Å²	64	46%	0.461	33%	0.333	S	S	.	.	H	α-helix	trans	-70.5	-31.9	176.2	-71.9	172	0	0	0	112.9	I90 I96 Q97 A98	I90-L100 HydrophobicContact CD1-CD1 3.99Å; I90-L100 HydrophobicContact CG1-CD1 3.91Å; I96-L100 HydrophobicContact CG2-CD1 3.98Å; I96-L100 HydrophobicContact CG2-CG 4.33Å; I96-L100 WeakPolarHBondContact O-CG 3.5Å; I96-L100 PolarHBondContact O-N 2.69Å; Q97-L100 PolarHBondContact O-N 3.27Å; Q97-L100 VanDerWaalsContact O-N 3.11Å; A98-L100 VanDerWaalsContact C-N 3.34Å; A98-L100 PolarHBondContact O-N 3.45Å
101	I	82.4	Confident	81.1	Confident	20 Å²	20	73.1 Å²	73.1	10%	0.103	37%	0.372	C	S	.	.	H	α-helix	trans	-73.3	-51.4	174.9	-60.9	157.7	0	0	0	110.4	Q97 A98 N177 I278 I305 I310	Q97-I101 HydrophobicContact CG-CD1 4.21Å; Q97-I101 WeakPolarHBondContact O-CG1 3.45Å; Q97-I101 PolarHBondContact O-N 3.35Å; A98-I101 PolarHBondContact O-N 3.17Å; I101-N177 PolarHBondContact O-ND2 2.82Å; I101-N177 PolarHBondContact O-OD1 2.86Å; I101-I278 HydrophobicContact CG2-CD1 4.43Å; I101-I278 HydrophobicContact CG2-CG1 4.37Å; I101-I305 HydrophobicContact CD1-CB 4.48Å; I101-I305 HydrophobicContact CD1-CG1 4Å; I101-I305 HydrophobicContact CD1-CG2 4.05Å; I101-I310 HydrophobicContact CD1-CD1 3.64Å; I101-I310 HydrophobicContact CG2-CG2 4.4Å
102	F	86.3	Confident	81.3	Confident	2 Å²	2	72 Å²	72	1%	0.009	37%	0.368	C	S	.	.	H	α-helix	trans	-86.3	-21.9	-171	-64.2	-49.1	0	0	0	114.6	A98 N104 N177 W208 P215 M220 L247 I310 F312	A98-F102 HydrophobicContact CB-CD2 4.38Å; A98-F102 HydrophobicContact CB-CE2 4.43Å; A98-F102 WeakPolarHBondContact O-CB 3.39Å; A98-F102 WeakPolarHBondContact O-CD2 3.43Å; A98-F102 PolarHBondContact O-N 3.36Å; F102-N104 HydrophobicContact CB-CB 4.45Å; F102-N104 PolarHBondContact O-N 2.86Å; F102-N177 PolarHBondContact O-OD1 2.82Å; F102-W208 HydrophobicContact CB-CH2 3.65Å; F102-W208 HydrophobicContact CB-CZ2 3.74Å; F102-W208 AromaticContact CD1-CH2 3.66Å; F102-W208 HydrophobicContact CD1-CH2 3.66Å; F102-W208 HydrophobicContact CD1-CZ2 4.26Å; F102-W208 AromaticContact CG-CH2 3.82Å; F102-W208 HydrophobicContact CG-CH2 3.82Å; F102-W208 HydrophobicContact CG-CZ2 4.35Å; F102-W208 WeakPolarHBondContact O-CZ2 3.3Å; F102-P215 HydrophobicContact CB-CB 4.46Å; F102-P215 HydrophobicContact CD2-CB 3.72Å; F102-P215 HydrophobicContact CD2-CG 3.78Å; F102-P215 HydrophobicContact CE2-CB 4.07Å; F102-P215 HydrophobicContact CE2-CG 4.36Å; F102-P215 WeakPolarHBondContact CE2-O 3.35Å; F102-P215 HydrophobicContact CG-CB 4.07Å; F102-P215 HydrophobicContact CG-CG 4.38Å; F102-M220 HydrophobicContact CD1-SD 4.04Å; F102-M220 HydrophobicContact CE1-SD 3.68Å; F102-M220 HydrophobicContact CZ-SD 4.4Å; F102-L247 HydrophobicContact CD1-CD2 4.44Å; F102-I310 HydrophobicContact CE2-CD1 3.84Å; F102-I310 HydrophobicContact CZ-CD1 3.63Å; F102-I310 HydrophobicContact CZ-CG1 4.14Å; F102-F312 AromaticContact CE1-CE2 3.95Å; F102-F312 HydrophobicContact CE1-CE2 3.95Å; F102-F312 HydrophobicContact CE1-CZ 4.03Å
103	L	86.3	Confident	81.6	Confident	52 Å²	52	68.7 Å²	68.7	27%	0.272	35%	0.351	S	S	.	.			trans	44.5	26.7	-178.3	-61.7	176.2	0	0	0	114.6	K99 F105 V106 A178	K99-L103 VanDerWaalsContact O-CA 3.26Å; K99-L103 WeakPolarHBondContact O-CA 3.38Å; K99-L103 PolarHBondContact O-N 3.13Å; L103-F105 HydrophobicContact CD2-CE1 4.04Å; L103-F105 HydrophobicContact CD2-CZ 4.03Å; L103-F105 PolarHBondContact O-N 2.69Å; L103-F105 VanDerWaalsContact O-N 3.09Å; L103-V106 HydrophobicContact CB-CG2 4.14Å; L103-V106 HydrophobicContact CD2-CG2 4.48Å; L103-V106 VanDerWaalsContact O-CB 3.28Å; L103-V106 WeakPolarHBondContact O-CB 3.43Å; L103-V106 WeakPolarHBondContact O-CG2 3.14Å; L103-V106 PolarHBondContact O-N 2Å; L103-A178 HydrophobicContact CB-CB 3.78Å; L103-A178 HydrophobicContact CD1-CB 4.43Å
104	N	84.6	Confident	82.1	Confident	24 Å²	24	66.9 Å²	66.9	13%	0.128	34%	0.338	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-15.2	-169.1	70.5	-61.8	0	0	0	113.4	F102 V106 G207 W208	F102-N104 HydrophobicContact CB-CB 4.45Å; F102-N104 PolarHBondContact O-N 2.86Å; N104-V106 VanDerWaalsContact C-N 3.32Å; N104-G207 PolarHBondContact ND2-O 2.84Å; N104-W208 HydrophobicContact CB-CD2 3.59Å; N104-W208 HydrophobicContact CB-CE3 3.98Å; N104-W208 HydrophobicContact CB-CG 3.98Å; N104-W208 HydrophobicContact CB-CH2 4.46Å; N104-W208 HydrophobicContact CB-CZ2 4.1Å; N104-W208 HydrophobicContact CB-CZ3 4.41Å
105	F	82.6	Confident	83	Confident	122 Å²	122	69.5 Å²	69.5	54%	0.535	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.1	-14.7	170.7	66.2	-88.8	0	0	0	113.5	K99 L103 R107	K99-F105 HydrophobicContact CB-CD1 4.17Å; K99-F105 HydrophobicContact CB-CE1 4.04Å; K99-F105 HydrophobicContact CG-CD1 4.46Å; K99-F105 WeakPolarHBondContact O-CE1 3.44Å; L103-F105 HydrophobicContact CD2-CE1 4.04Å; L103-F105 HydrophobicContact CD2-CZ 4.03Å; L103-F105 PolarHBondContact O-N 2.69Å; L103-F105 VanDerWaalsContact O-N 3.09Å; F105-R107 VanDerWaalsContact C-N 3.34Å; F105-R107 PolarHBondContact O-N 2.91Å
106	V	81.9	Confident	83.9	Confident	42 Å²	42	71.2 Å²	71.2	26%	0.255	34%	0.335	S	S	.	.			trans	-85.1	75.8	-178.3	-174.6	0	0	0	0	109.8	L103 N104 V108 A178 G179	L103-V106 HydrophobicContact CB-CG2 4.14Å; L103-V106 HydrophobicContact CD2-CG2 4.48Å; L103-V106 VanDerWaalsContact O-CB 3.28Å; L103-V106 WeakPolarHBondContact O-CB 3.43Å; L103-V106 WeakPolarHBondContact O-CG2 3.14Å; L103-V106 PolarHBondContact O-N 2Å; N104-V106 VanDerWaalsContact C-N 3.32Å; V106-V108 HydrophobicContact CG1-CG2 3.99Å; V106-V108 PolarHBondContact O-N 3.21Å; V106-A178 HydrophobicContact CB-CB 4.09Å; V106-A178 HydrophobicContact CG1-CB 4.34Å; V106-G179 VanDerWaalsContact O-CA 3.31Å; V106-G179 WeakPolarHBondContact O-CA 3.36Å; V106-G179 PolarHBondContact O-N 2.87Å
107	R	79.9	Confident	84.6	Confident	136 Å²	136	68 Å²	68	51%	0.513	32%	0.319	S	S	.	.			trans	-77.3	94.9	175.8	-69	177.7	172.1	158.7	-3.3	110.7	F105 Y110 T180 G209	F105-R107 VanDerWaalsContact C-N 3.34Å; F105-R107 PolarHBondContact O-N 2.91Å; R107-Y110 WeakPolarHBondContact O-CD1 3.34Å; R107-Y110 WeakPolarHBondContact O-CE1 2.92Å; R107-T180 HydrophobicContact CB-CG2 4.45Å; R107-T180 HydrophobicContact CG-CG2 4.32Å; R107-G209 PolarHBondContact NE-O 2.53Å; R107-G209 PolarHBondContact NH2-O 3.28Å
108	V	74.3	Confident	85.4	Confident	62 Å²	62	72.3 Å²	72.3	38%	0.376	34%	0.338	S	S	.	.	S	Bend	trans	-123.4	130.4	174	179.2	0	0	0	0	108.8	V106 Y110	V106-V108 HydrophobicContact CG1-CG2 3.99Å; V106-V108 PolarHBondContact O-N 3.21Å; V108-Y110 HydrophobicContact CG2-CE2 4.01Å
109	P	77.9	Confident	86.1	Confident	27 Å²	27	75.3 Å²	75.3	18%	0.175	35%	0.351	C	S	.	.	S	Bend	cis	-61.7	152.4	-5.2	26.9	-35.4	0	0	0	113	I112	P109-I112 HydrophobicContact CG-CB 4.29Å; P109-I112 HydrophobicContact CG-CD1 4.11Å; P109-I112 WeakPolarHBondContact O-CG2 3.22Å
110	Y	78.4	Confident	86.7	Confident	162 Å²	162	72 Å²	72	64%	0.635	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.7	149.1	177.9	-64	-78.1	0	0	0	110.7	R107 V108 I112	R107-Y110 WeakPolarHBondContact O-CD1 3.34Å; R107-Y110 WeakPolarHBondContact O-CE1 2.92Å; V108-Y110 HydrophobicContact CG2-CE2 4.01Å; Y110-I112 PolarHBondContact O-N 3.44Å
111	F	81.1	Confident	87.3	Confident	213 Å²	213	69.9 Å²	69.9	93%	0.934	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.5	18.3	175.9	-46.2	-74	0	0	0	116.4
112	I	88.6	Confident	87.9	Confident	32 Å²	32	69 Å²	69	16%	0.164	33%	0.332	C	S	.	.			trans	-64	130.4	172.6	-177.4	169.7	0	0	0	112.5	P109 Y110 L114 Q120	P109-I112 HydrophobicContact CG-CB 4.29Å; P109-I112 HydrophobicContact CG-CD1 4.11Å; P109-I112 WeakPolarHBondContact O-CG2 3.22Å; Y110-I112 PolarHBondContact O-N 3.44Å; I112-L114 HydrophobicContact CD1-CD2 3.67Å; I112-L114 HydrophobicContact CG1-CD2 3.96Å; I112-L114 HydrophobicContact CG1-CG 4.4Å; I112-L114 HydrophobicContact CG2-CD2 4.26Å; I112-L114 HydrophobicContact CG2-CG 4.29Å; I112-L114 PolarHBondContact O-N 3.19Å; I112-Q120 VanDerWaalsContact CD1-CD 3.42Å; I112-Q120 HydrophobicContact CD1-CG 3.68Å; I112-Q120 HydrophobicContact CG1-CG 4.38Å
113	D	93	Very high	88.3	Confident	58 Å²	58	72.3 Å²	72.3	31%	0.31	35%	0.35	S	S	.	.			trans	-87.8	96.3	168.6	-173.8	-1.8	0	0	0	109.9	K115 K116	D113-K115 PolarHBondContact O-N 3.45Å; D113-K115 VanDerWaalsContact O-N 3.09Å; D113-K115 WeakPolarHBondContact OD1-CB 3.38Å; D113-K115 PolarHBondContact OD1-N 3.01Å; D113-K115 VanDerWaalsContact OD1-N 3.13Å; D113-K116 PolarHBondContact O-N 3.21Å; D113-K116 WeakPolarHBondContact OD2-CE 3.42Å; D113-K116 IonicContact OD2-NZ 3.66Å; D113-K116 PolarHBondContact OD2-NZ 3.23Å
114	L	95.3	Very high	88.9	Confident	9 Å²	9	70.4 Å²	70.4	5%	0.047	34%	0.34	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-8	-177.4	-66.9	171.2	0	0	0	113.9	I112 K116 N127 W141 T180 R181 D210	I112-L114 HydrophobicContact CD1-CD2 3.67Å; I112-L114 HydrophobicContact CG1-CD2 3.96Å; I112-L114 HydrophobicContact CG1-CG 4.4Å; I112-L114 HydrophobicContact CG2-CD2 4.26Å; I112-L114 HydrophobicContact CG2-CG 4.29Å; I112-L114 PolarHBondContact O-N 3.19Å; L114-K116 PolarHBondContact O-N 2.78Å; L114-N127 PolarHBondContact O-OD1 3.3Å; L114-W141 HydrophobicContact CD2-CH2 4.13Å; L114-W141 HydrophobicContact CD2-CZ2 3.8Å; L114-W141 PolarHBondContact O-NE1 2.85Å; L114-T180 HydrophobicContact CD1-CG2 4.19Å; L114-R181 HydrophobicContact CD2-CG 4.13Å; L114-D210 HydrophobicContact CD1-CB 4.26Å
115	K	96	Very high	89.5	Confident	132 Å²	132	69.8 Å²	69.8	57%	0.574	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.8	-12.4	170.9	-63.5	171.5	-177.7	-178.6	0	112.7	D113 P117 Y129	D113-K115 PolarHBondContact O-N 3.45Å; D113-K115 VanDerWaalsContact O-N 3.09Å; D113-K115 WeakPolarHBondContact OD1-CB 3.38Å; D113-K115 PolarHBondContact OD1-N 3.01Å; D113-K115 VanDerWaalsContact OD1-N 3.13Å; K115-P117 WeakPolarHBondContact O-CD 3.36Å; K115-Y129 WeakPolarHBondContact CE-OH 3.14Å; K115-Y129 HydrophobicContact CG-CE2 4.38Å; K115-Y129 WeakPolarHBondContact CG-OH 2.94Å
116	K	94.7	Very high	90.2	Very high	87 Å²	87	64.8 Å²	64.8	38%	0.378	32%	0.317	S	S	.	.			trans	-124.8	72.4	-172.8	-64.6	-173	-170	119.6	0	111.7	D113 L114 Q118 D119	D113-K116 PolarHBondContact O-N 3.21Å; D113-K116 WeakPolarHBondContact OD2-CE 3.42Å; D113-K116 IonicContact OD2-NZ 3.66Å; D113-K116 PolarHBondContact OD2-NZ 3.23Å; L114-K116 PolarHBondContact O-N 2.78Å; K116-Q118 VanDerWaalsContact C-OE1 3.28Å; K116-Q118 VanDerWaalsContact CA-OE1 3.31Å; K116-Q118 PolarHBondContact O-N 3.31Å; K116-Q118 VanDerWaalsContact O-N 3.13Å; K116-D119 HydrophobicContact CB-CB 4.29Å; K116-D119 WeakPolarHBondContact CB-OD2 3.23Å; K116-D119 VanDerWaalsContact CD-OD2 3.26Å; K116-D119 WeakPolarHBondContact CD-OD2 3.29Å; K116-D119 WeakPolarHBondContact O-CB 3.47Å; K116-D119 PolarHBondContact O-N 3.42Å
117	P	95.5	Very high	91	Very high	2 Å²	2	63.7 Å²	63.7	1%	0.013	31%	0.309	C	S	.	.	G	3₁₀ helix	trans	-55.7	-29.5	177.3	23.7	-34.5	0	0	0	113.1	K115 D119 Q120 L122 T125 W141	K115-P117 WeakPolarHBondContact O-CD 3.36Å; P117-D119 PolarHBondContact O-N 2.92Å; P117-Q120 PolarHBondContact O-N 3.23Å; P117-L122 HydrophobicContact CB-CB 4.07Å; P117-L122 HydrophobicContact CB-CD1 4.3Å; P117-L122 WeakPolarHBondContact O-CB 3.38Å; P117-L122 PolarHBondContact O-N 2.99Å; P117-T125 HydrophobicContact CB-CG2 3.66Å; P117-T125 HydrophobicContact CG-CG2 3.83Å; P117-T125 VanDerWaalsContact CG-O 3.23Å; P117-T125 WeakPolarHBondContact CG-O 3.26Å; P117-W141 HydrophobicContact CB-CD2 4.01Å; P117-W141 HydrophobicContact CB-CE3 4.32Å; P117-W141 HydrophobicContact CB-CH2 4.23Å; P117-W141 HydrophobicContact CB-CZ2 3.91Å; P117-W141 HydrophobicContact CB-CZ3 4.43Å
118	Q	94.1	Very high	91.8	Very high	97 Å²	97	57.4 Å²	57.4	45%	0.453	29%	0.286	S	S	.	.	G	3₁₀ helix	trans	-59.3	-28	175.5	72.8	-76.9	0.4	0	0	113.6	K116 Q120 G121 L122	K116-Q118 VanDerWaalsContact C-OE1 3.28Å; K116-Q118 VanDerWaalsContact CA-OE1 3.31Å; K116-Q118 PolarHBondContact O-N 3.31Å; K116-Q118 VanDerWaalsContact O-N 3.13Å; Q118-Q120 PolarHBondContact O-N 2.97Å; Q118-G121 WeakPolarHBondContact O-CA 3.44Å; Q118-G121 PolarHBondContact O-N 3.2Å; Q118-L122 WeakPolarHBondContact CA-O 3.23Å; Q118-L122 PolarHBondContact N-O 3.38Å
119	D	93.7	Very high	93	Very high	93 Å²	93	59 Å²	59	50%	0.497	29%	0.286	S	S	.	.	G	3₁₀ helix	trans	-70	-15	177.6	-62.2	3.2	0	0	0	111.5	K116 P117	K116-D119 HydrophobicContact CB-CB 4.29Å; K116-D119 WeakPolarHBondContact CB-OD2 3.23Å; K116-D119 VanDerWaalsContact CD-OD2 3.26Å; K116-D119 WeakPolarHBondContact CD-OD2 3.29Å; K116-D119 WeakPolarHBondContact O-CB 3.47Å; K116-D119 PolarHBondContact O-N 3.42Å; P117-D119 PolarHBondContact O-N 2.92Å
120	Q	93.4	Very high	93.9	Very high	51 Å²	51	58.5 Å²	58.5	24%	0.238	28%	0.281	C	S	.	.	G	3₁₀ helix	trans	-97.6	10.1	170.6	-50.3	-51.3	-73	0	0	112.7	I112 P117 Q118 W141 V187 K191	I112-Q120 VanDerWaalsContact CD1-CD 3.42Å; I112-Q120 HydrophobicContact CD1-CG 3.68Å; I112-Q120 HydrophobicContact CG1-CG 4.38Å; P117-Q120 PolarHBondContact O-N 3.23Å; Q118-Q120 PolarHBondContact O-N 2.97Å; Q120-W141 HydrophobicContact CG-CH2 4.13Å; Q120-V187 HydrophobicContact CB-CG1 4.25Å; Q120-V187 HydrophobicContact CB-CG2 4.17Å; Q120-V187 WeakPolarHBondContact O-CG1 3.41Å; Q120-K191 PolarHBondContact O-NZ 2.82Å
121	G	93.4	Very high	94.8	Very high	45 Å²	45	56.3 Å²	56.3	46%	0.464	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	76.2	19.5	-175.4	0	0	0	0	0	114.2	Q118 N123 K191	Q118-G121 WeakPolarHBondContact O-CA 3.44Å; Q118-G121 PolarHBondContact O-N 3.2Å; G121-N123 PolarHBondContact O-N 3.13Å; G121-K191 WeakPolarHBondContact O-CE 3.25Å
122	L	95.9	Very high	95.6	Very high	1 Å²	1	46.7 Å²	46.7	1%	0.005	24%	0.236	C	C	.	.			trans	-95.1	78.5	171.3	-63.2	173.3	0	0	0	109.6	P117 Q118 H124 T125 W141 V187 Y190 K191	P117-L122 HydrophobicContact CB-CB 4.07Å; P117-L122 HydrophobicContact CB-CD1 4.3Å; P117-L122 WeakPolarHBondContact O-CB 3.38Å; P117-L122 PolarHBondContact O-N 2.99Å; Q118-L122 WeakPolarHBondContact CA-O 3.23Å; Q118-L122 PolarHBondContact N-O 3.38Å; L122-H124 PolarHBondContact O-N 3.35Å; L122-T125 WeakPolarHBondContact CB-OG1 3.4Å; L122-W141 HydrophobicContact CD1-CE3 3.78Å; L122-W141 HydrophobicContact CD1-CH2 4.4Å; L122-W141 HydrophobicContact CD1-CZ3 3.54Å; L122-V187 HydrophobicContact CD1-CG1 4.28Å; L122-V187 HydrophobicContact CD1-CG2 4.26Å; L122-V187 HydrophobicContact CD2-CG1 4.06Å; L122-V187 HydrophobicContact CG-CG1 3.98Å; L122-Y190 HydrophobicContact CD1-CD2 4Å; L122-K191 HydrophobicContact CD2-CG 3.85Å
123	N	94.6	Very high	95.9	Very high	72 Å²	72	48.8 Å²	48.8	39%	0.385	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.8	1.3	-172.2	72.1	-27.6	0	0	0	115.1	G121 Q153	G121-N123 PolarHBondContact O-N 3.13Å; N123-Q153 PolarHBondContact O-NE2 3.04Å
124	H	97.1	Very high	95.9	Very high	12 Å²	12	54.3 Å²	54.3	6%	0.056	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-137.8	44.1	-177.3	56.3	-88.3	0	0	0	111	L122 T143 V144 W149 A152 Y160 S194	L122-H124 PolarHBondContact O-N 3.35Å; H124-T143 VanDerWaalsContact CD2-CG2 3.43Å; H124-T143 WeakPolarHBondContact CD2-CG2 3.11Å; H124-T143 WeakPolarHBondContact NE2-CG2 3.36Å; H124-V144 HydrophobicContact CB-CG2 4.07Å; H124-V144 PolarHBondContact CD2-O 3.46Å; H124-V144 PolarHBondContact O-N 3.12Å; H124-W149 HydrophobicContact CB-CB 3.98Å; H124-A152 HydrophobicContact CB-CB 4.23Å; H124-Y160 VanDerWaalsContact C-OH 3.29Å; H124-S194 PolarHBondContact NE2-OG 3.18Å
125	T	98.1	Very high	95.9	Very high	10 Å²	10	60.5 Å²	60.5	6%	0.061	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	132	-175.2	-57.8	0	0	0	0	110	P117 L122 W141 H142 T143 Y160	P117-T125 HydrophobicContact CB-CG2 3.66Å; P117-T125 HydrophobicContact CG-CG2 3.83Å; P117-T125 VanDerWaalsContact CG-O 3.23Å; P117-T125 WeakPolarHBondContact CG-O 3.26Å; L122-T125 WeakPolarHBondContact CB-OG1 3.4Å; T125-W141 HydrophobicContact CG2-CB 3.83Å; T125-W141 HydrophobicContact CG2-CD2 4.47Å; T125-W141 HydrophobicContact CG2-CG 4.13Å; T125-H142 CarbonylContact C-O 3.55Å; T125-H142 VanDerWaalsContact CA-O 3.23Å; T125-H142 WeakPolarHBondContact CA-O 3.42Å; T125-H142 WeakPolarHBondContact CG2-O 3.29Å; T125-T143 WeakPolarHBondContact CG2-OG1 3.48Å; T125-T143 WeakPolarHBondContact OG1-CB 3.41Å; T125-T143 VanDerWaalsContact OG1-CG2 3.3Å; T125-T143 WeakPolarHBondContact OG1-CG2 3.23Å; T125-T143 PolarHBondContact OG1-OG1 2.88Å; T125-Y160 PolarHBondContact N-OH 3.32Å
126	C	97.7	Very high	95.9	Very high	18 Å²	18	54.7 Å²	54.7	12%	0.122	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	149.1	174	-162.3	0	0	0	0	111	Y128 W141 H142 Q157 Y160	C126-Y128 HydrophobicContact CB-CE2 3.86Å; C126-W141 WeakPolarHBondContact O-CA 3.36Å; C126-H142 PolarHBondContact N-O 2.91Å; C126-H142 PolarHBondContact O-N 3.2Å; C126-Q157 VanDerWaalsContact SG-CG 3.57Å; C126-Y160 HydrophobicContact CB-CD1 3.6Å; C126-Y160 HydrophobicContact CB-CD2 3.7Å; C126-Y160 HydrophobicContact CB-CE1 3.8Å; C126-Y160 HydrophobicContact CB-CE2 3.89Å; C126-Y160 HydrophobicContact CB-CG 3.55Å
127	N	97.9	Very high	96.1	Very high	18 Å²	18	52.5 Å²	52.5	10%	0.096	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	132.7	176.5	177	93.2	0	0	0	111.1	L114 Y129 V140 W141 Q157 R181	L114-N127 PolarHBondContact O-OD1 3.3Å; N127-Y129 WeakPolarHBondContact ND2-CE2 3.16Å; N127-V140 CarbonylContact C-O 3.54Å; N127-V140 WeakPolarHBondContact CA-O 3.38Å; N127-W141 PolarHBondContact OD1-NE1 3.46Å; N127-W141 VanDerWaalsContact OD1-NE1 3.09Å; N127-Q157 PolarHBondContact O-NE2 3.45Å; N127-R181 PolarHBondContact OD1-NH2 3.27Å
128	Y	97.7	Very high	96.3	Very high	5 Å²	5	52.4 Å²	52.4	2%	0.02	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	164.8	177.7	-59.2	-102.5	0	0	0	110.7	C126 V140 H142 Q157 Y160 E161 W230	C126-Y128 HydrophobicContact CB-CE2 3.86Å; Y128-V140 PolarHBondContact N-O 3.35Å; Y128-V140 PolarHBondContact O-N 3.12Å; Y128-H142 HydrophobicContact CE2-CB 3.98Å; Y128-Q157 HydrophobicContact CD1-CB 4.26Å; Y128-Q157 HydrophobicContact CD1-CG 3.94Å; Y128-Q157 HydrophobicContact CE1-CB 3.59Å; Y128-Q157 HydrophobicContact CE1-CG 3.66Å; Y128-Q157 PolarHBondContact OH-O 3.43Å; Y128-Y160 WeakPolarHBondContact OH-CB 3.49Å; Y128-E161 HydrophobicContact CE1-CG 3.75Å; Y128-E161 VanDerWaalsContact CE1-OE1 3.29Å; Y128-E161 WeakPolarHBondContact CE1-OE1 3.19Å; Y128-E161 PolarHBondContact OH-N 2.89Å; Y128-W230 HydrophobicContact CD1-CZ2 4.02Å; Y128-W230 HydrophobicContact CE1-CH2 4.3Å; Y128-W230 AromaticContact CE1-CZ2 3.94Å; Y128-W230 HydrophobicContact CE1-CZ2 3.94Å; Y128-W230 HydrophobicContact CE2-CH2 4.37Å; Y128-W230 HydrophobicContact CG-CZ2 4.45Å
129	Y	98.1	Very high	96.5	Very high	94 Å²	94	47.8 Å²	47.8	37%	0.369	25%	0.25	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	118.7	164.1	-69.2	-72.1	0	0	0	108.1	K115 N127 T137 V138 D210	K115-Y129 WeakPolarHBondContact CE-OH 3.14Å; K115-Y129 HydrophobicContact CG-CE2 4.38Å; K115-Y129 WeakPolarHBondContact CG-OH 2.94Å; N127-Y129 WeakPolarHBondContact ND2-CE2 3.16Å; Y129-T137 HydrophobicContact CD1-CG2 4.08Å; Y129-T137 HydrophobicContact CG-CG2 4.32Å; Y129-V138 WeakPolarHBondContact CA-O 3.27Å; Y129-D210 VanDerWaalsContact CE1-OD2 3.32Å; Y129-D210 WeakPolarHBondContact CE1-OD2 3.04Å; Y129-D210 PolarHBondContact OH-OD2 3.49Å
130	L	98.3	Very high	96.7	Very high	17 Å²	17	43.4 Å²	43.4	9%	0.089	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	155.3	174.6	-55	-174.1	0	0	0	109.6	P132 T137 V138 V140 V227 W230	L130-P132 WeakPolarHBondContact O-CD 3.34Å; L130-T137 CarbonylContact O-C 3.53Å; L130-T137 WeakPolarHBondContact O-CA 3.32Å; L130-V138 HydrophobicContact CB-CG2 4.06Å; L130-V138 PolarHBondContact N-O 2.98Å; L130-V138 PolarHBondContact O-N 2.92Å; L130-V140 HydrophobicContact CB-CG2 4.37Å; L130-V140 HydrophobicContact CD1-CG2 3.92Å; L130-V140 HydrophobicContact CG-CG2 3.82Å; L130-V227 HydrophobicContact CD1-CG2 4.25Å; L130-W230 HydrophobicContact CD1-CB 3.89Å; L130-W230 HydrophobicContact CD1-CD2 3.79Å; L130-W230 HydrophobicContact CD1-CE3 4.37Å; L130-W230 HydrophobicContact CD1-CG 3.54Å; L130-W230 HydrophobicContact CD2-CD2 4.41Å; L130-W230 HydrophobicContact CD2-CG 4.25Å
131	Q	97.8	Very high	96.9	Very high	117 Å²	117	41 Å²	41	55%	0.547	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	86.9	-172.9	-170.3	171.2	6.2	0	0	110.2	E133 E134 V136 H226	Q131-E133 WeakPolarHBondContact CG-O 3.41Å; Q131-E134 PolarHBondContact NE2-O 2.92Å; Q131-V136 WeakPolarHBondContact CA-O 3.4Å; Q131-V136 WeakPolarHBondContact CG-O 3.41Å; Q131-H226 PolarHBondContact O-CE1 3.21Å
132	P	95.9	Very high	97.2	Very high	11 Å²	11	38.8 Å²	38.8	7%	0.071	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.9	-39.4	-179.6	-23.4	34.2	0	0	0	113.6	L130 V136 V138 Y222 H226	L130-P132 WeakPolarHBondContact O-CD 3.34Å; P132-V136 VanDerWaalsContact CD-O 3.31Å; P132-V136 WeakPolarHBondContact CD-O 3.46Å; P132-V136 HydrophobicContact CG-CG1 4.45Å; P132-V138 HydrophobicContact CG-CG1 4.34Å; P132-V138 HydrophobicContact CG-CG2 4.03Å; P132-Y222 HydrophobicContact CB-CD1 3.86Å; P132-Y222 HydrophobicContact CB-CE1 3.74Å; P132-Y222 WeakPolarHBondContact O-CE1 3.21Å; P132-H226 HydrophobicContact CB-CB 3.92Å; P132-H226 HydrophobicContact CG-CB 4.02Å
133	E	96.3	Very high	97.3	Very high	75 Å²	75	38.8 Å²	38.8	35%	0.35	19%	0.192	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	160.9	179.3	-64	170	-121.5	0	0	108.5	Q131 D135 V136 R206 Y222	Q131-E133 WeakPolarHBondContact CG-O 3.41Å; E133-D135 VanDerWaalsContact C-N 3.33Å; E133-D135 PolarHBondContact O-N 3.29Å; E133-V136 HydrophobicContact CB-CB 4.01Å; E133-V136 HydrophobicContact CB-CG2 3.93Å; E133-V136 PolarHBondContact O-N 3.13Å; E133-V136 VanDerWaalsContact O-O 3.07Å; E133-R206 IonicContact OE1-CZ 3.98Å; E133-R206 IonicContact OE1-NH1 3.08Å; E133-R206 PolarHBondContact OE1-NH1 2.91Å; E133-R206 IonicContact OE1-NH2 3.43Å; E133-R206 PolarHBondContact OE1-NH2 3.03Å; E133-R206 IonicContact OE2-NH1 2.79Å; E133-Y222 HydrophobicContact CG-CD1 4.13Å; E133-Y222 HydrophobicContact CG-CE1 3.73Å
134	E	92.1	Very high	97.5	Very high	174 Å²	174	35.3 Å²	35.3	81%	0.813	17%	0.174	S	C	*	.	T	Hydrogen-bonded Turn	trans	-51.1	-47.1	-172.8	-167	169.1	-177.2	0	0	113.1	Q131	Q131-E134 PolarHBondContact NE2-O 2.92Å
135	D	94.8	Very high	97.6	Very high	140 Å²	140	34.8 Å²	34.8	75%	0.749	17%	0.171	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93.4	12.1	177.7	-66.4	-54.6	0	0	0	114.8	E133	E133-D135 VanDerWaalsContact C-N 3.33Å; E133-D135 PolarHBondContact O-N 3.29Å
136	V	97.8	Very high	97.5	Very high	10 Å²	10	35.4 Å²	35.4	6%	0.061	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	121.2	-174.3	-179.7	0	0	0	0	110.9	Q131 P132 E133 R206	Q131-V136 WeakPolarHBondContact CA-O 3.4Å; Q131-V136 WeakPolarHBondContact CG-O 3.41Å; P132-V136 VanDerWaalsContact CD-O 3.31Å; P132-V136 WeakPolarHBondContact CD-O 3.46Å; P132-V136 HydrophobicContact CG-CG1 4.45Å; E133-V136 HydrophobicContact CB-CB 4.01Å; E133-V136 HydrophobicContact CB-CG2 3.93Å; E133-V136 PolarHBondContact O-N 3.13Å; E133-V136 VanDerWaalsContact O-O 3.07Å; V136-R206 HydrophobicContact CG1-CB 3.85Å
137	T	98.2	Very high	97.5	Very high	41 Å²	41	39.5 Å²	39.5	25%	0.252	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	127.8	175	-45	0	0	0	0	109.4	Y129 L130 S211 V212	Y129-T137 HydrophobicContact CD1-CG2 4.08Å; Y129-T137 HydrophobicContact CG-CG2 4.32Å; L130-T137 CarbonylContact O-C 3.53Å; L130-T137 WeakPolarHBondContact O-CA 3.32Å; T137-S211 CarbonylContact O-C 3.41Å; T137-S211 VanDerWaalsContact O-CA 3.23Å; T137-S211 WeakPolarHBondContact O-CA 3.13Å; T137-S211 WeakPolarHBondContact O-CB 3.41Å; T137-V212 PolarHBondContact O-N 3.42Å
138	V	98.6	Very high	97.4	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	128.5	174.8	-64.1	0	0	0	0	111.2	Y129 L130 P132 V140 F203 S211 D223 V227	Y129-V138 WeakPolarHBondContact CA-O 3.27Å; L130-V138 HydrophobicContact CB-CG2 4.06Å; L130-V138 PolarHBondContact N-O 2.98Å; L130-V138 PolarHBondContact O-N 2.92Å; P132-V138 HydrophobicContact CG-CG1 4.34Å; P132-V138 HydrophobicContact CG-CG2 4.03Å; V138-V140 HydrophobicContact CG2-CG2 4.16Å; V138-F203 HydrophobicContact CB-CD2 4.2Å; V138-F203 HydrophobicContact CG1-CD2 4.42Å; V138-F203 HydrophobicContact CG2-CD2 4.48Å; V138-S211 WeakPolarHBondContact CA-OG 3.29Å; V138-D223 HydrophobicContact CG1-CB 4.11Å; V138-V227 HydrophobicContact CG2-CG2 4.21Å
139	G	98.4	Very high	97.4	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	122	172.8	0	0	0	0	0	110.7	R181 F203 D204 S211	G139-R181 VanDerWaalsContact C-CZ 3.46Å; G139-R181 PolarHBondContact O-NH1 3.21Å; G139-F203 VanDerWaalsContact O-CA 3.24Å; G139-F203 WeakPolarHBondContact O-CA 3.11Å; G139-F203 WeakPolarHBondContact O-CB 3.46Å; G139-D204 PolarHBondContact O-N 2.83Å; G139-D204 VanDerWaalsContact O-N 3.09Å; G139-S211 PolarHBondContact N-OG 3.38Å
140	V	98.7	Very high	97.3	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	139.4	-174.5	-170.7	0	0	0	0	109.7	N127 Y128 L130 V138 V201 T202 F203 V227	N127-V140 CarbonylContact C-O 3.54Å; N127-V140 WeakPolarHBondContact CA-O 3.38Å; Y128-V140 PolarHBondContact N-O 3.35Å; Y128-V140 PolarHBondContact O-N 3.12Å; L130-V140 HydrophobicContact CB-CG2 4.37Å; L130-V140 HydrophobicContact CD1-CG2 3.92Å; L130-V140 HydrophobicContact CG-CG2 3.82Å; V138-V140 HydrophobicContact CG2-CG2 4.16Å; V140-V201 HydrophobicContact CG1-CG1 3.7Å; V140-T202 CarbonylContact C-O 3.6Å; V140-T202 WeakPolarHBondContact CA-O 3.14Å; V140-T202 WeakPolarHBondContact CG1-O 3.38Å; V140-F203 HydrophobicContact CB-CB 4.18Å; V140-F203 HydrophobicContact CG1-CB 4.23Å; V140-F203 HydrophobicContact CG2-CB 3.8Å; V140-V227 HydrophobicContact CG2-CG2 4.23Å
141	W	98.7	Very high	97.1	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	135.7	168.2	-73.9	-6.9	0	0	0	110.1	L114 P117 Q120 L122 T125 C126 N127 R181 G182 V187 Y190 V201 T202	L114-W141 HydrophobicContact CD2-CH2 4.13Å; L114-W141 HydrophobicContact CD2-CZ2 3.8Å; L114-W141 PolarHBondContact O-NE1 2.85Å; P117-W141 HydrophobicContact CB-CD2 4.01Å; P117-W141 HydrophobicContact CB-CE3 4.32Å; P117-W141 HydrophobicContact CB-CH2 4.23Å; P117-W141 HydrophobicContact CB-CZ2 3.91Å; P117-W141 HydrophobicContact CB-CZ3 4.43Å; Q120-W141 HydrophobicContact CG-CH2 4.13Å; L122-W141 HydrophobicContact CD1-CE3 3.78Å; L122-W141 HydrophobicContact CD1-CH2 4.4Å; L122-W141 HydrophobicContact CD1-CZ3 3.54Å; T125-W141 HydrophobicContact CG2-CB 3.83Å; T125-W141 HydrophobicContact CG2-CD2 4.47Å; T125-W141 HydrophobicContact CG2-CG 4.13Å; C126-W141 WeakPolarHBondContact O-CA 3.36Å; N127-W141 PolarHBondContact OD1-NE1 3.46Å; N127-W141 VanDerWaalsContact OD1-NE1 3.09Å; W141-R181 HydrophobicContact CD2-CG 3.75Å; W141-R181 HydrophobicContact CE3-CB 4.49Å; W141-R181 HydrophobicContact CE3-CG 3.89Å; W141-R181 HydrophobicContact CG-CG 4.23Å; W141-R181 HydrophobicContact CH2-CG 4.4Å; W141-R181 HydrophobicContact CZ2-CG 4.26Å; W141-R181 HydrophobicContact CZ3-CG 4.21Å; W141-R181 VanDerWaalsContact NE1-NE 3.16Å; W141-G182 VanDerWaalsContact CH2-CA 3.48Å; W141-V187 HydrophobicContact CZ3-CG2 4.38Å; W141-Y190 HydrophobicContact CE3-CE2 4.27Å; W141-Y190 HydrophobicContact CZ3-CE2 4.45Å; W141-V201 WeakPolarHBondContact O-CA 3.47Å; W141-T202 HydrophobicContact CB-CG2 3.83Å; W141-T202 PolarHBondContact N-O 2.99Å; W141-T202 PolarHBondContact O-N 2.55Å
142	H	98.6	Very high	97	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	117.6	170.3	168.1	-135	0	0	0	109.4	T125 C126 Y128 Y160 L164 H199 V200 V201	T125-H142 CarbonylContact C-O 3.55Å; T125-H142 VanDerWaalsContact CA-O 3.23Å; T125-H142 WeakPolarHBondContact CA-O 3.42Å; T125-H142 WeakPolarHBondContact CG2-O 3.29Å; C126-H142 PolarHBondContact N-O 2.91Å; C126-H142 PolarHBondContact O-N 3.2Å; Y128-H142 HydrophobicContact CE2-CB 3.98Å; H142-Y160 PolarHBondContact CE1-O 2.96Å; H142-Y160 AromaticContact ND1-CD1 3.73Å; H142-Y160 PolarHBondContact ND1-O 2.88Å; H142-L164 WeakPolarHBondContact NE2-CD2 3.36Å; H142-H199 AromaticContact CE1-ND1 3.64Å; H142-H199 AromaticContact NE2-CG 3.62Å; H142-H199 AromaticContact NE2-ND1 2.91Å; H142-H199 PolarHBondContact NE2-ND1 3.32Å; H142-V200 WeakPolarHBondContact CA-O 3.31Å; H142-V201 HydrophobicContact CB-CG2 4.24Å
143	T	98.7	Very high	97	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	123.6	176.2	-51.4	0	0	0	0	108.2	H124 T125 H199 V200	H124-T143 VanDerWaalsContact CD2-CG2 3.43Å; H124-T143 WeakPolarHBondContact CD2-CG2 3.11Å; H124-T143 WeakPolarHBondContact NE2-CG2 3.36Å; T125-T143 WeakPolarHBondContact CG2-OG1 3.48Å; T125-T143 WeakPolarHBondContact OG1-CB 3.41Å; T125-T143 VanDerWaalsContact OG1-CG2 3.3Å; T125-T143 WeakPolarHBondContact OG1-CG2 3.23Å; T125-T143 PolarHBondContact OG1-OG1 2.88Å; T143-H199 CarbonylContact O-C 3.6Å; T143-H199 WeakPolarHBondContact O-CA 3.38Å; T143-V200 PolarHBondContact N-O 3.44Å; T143-V200 PolarHBondContact O-N 2.81Å
144	V	98.5	Very high	96.8	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	28%	0.283	C	S	.	.			trans	-76.9	164.7	175.2	-66.6	0	0	0	0	111.2	H124 A146 W148 A152 W159 Y160 A163 S194 H199	H124-V144 HydrophobicContact CB-CG2 4.07Å; H124-V144 PolarHBondContact CD2-O 3.46Å; H124-V144 PolarHBondContact O-N 3.12Å; V144-A146 PolarHBondContact O-N 2.83Å; V144-W148 HydrophobicContact CB-CE3 4.5Å; V144-W148 HydrophobicContact CG2-CB 4.2Å; V144-A152 HydrophobicContact CG2-CB 3.93Å; V144-W159 HydrophobicContact CG1-CZ3 4.27Å; V144-Y160 HydrophobicContact CG1-CD1 3.7Å; V144-Y160 HydrophobicContact CG1-CE1 3.91Å; V144-Y160 HydrophobicContact CG2-CE1 4.32Å; V144-A163 HydrophobicContact CG1-CB 4.11Å; V144-S194 WeakPolarHBondContact O-CB 3.43Å; V144-H199 VanDerWaalsContact CG1-CE1 3.43Å; V144-H199 WeakPolarHBondContact CG1-CE1 3.27Å
145	P	98.3	Very high	97	Very high	0 Å²	0	49 Å²	49	0%	0	26%	0.264	C	S	.	.			trans	-45.7	134.3	167.1	-32.6	35.2	0	0	0	112.6	V147 W148 H168 H199	P145-V147 HydrophobicContact CB-CG1 3.86Å; P145-V147 PolarHBondContact O-N 3.28Å; P145-V147 VanDerWaalsContact O-N 3.08Å; P145-W148 WeakPolarHBondContact O-CB 3.38Å; P145-W148 PolarHBondContact O-N 3.48Å; P145-H168 HydrophobicContact CG-CB 3.66Å; P145-H168 VanDerWaalsContact CG-CG 3.41Å; P145-H199 VanDerWaalsContact CD-ND1 3.34Å; P145-H199 WeakPolarHBondContact CD-ND1 3.45Å
146	A	97.5	Very high	97	Very high	24 Å²	24	47.1 Å²	47.1	20%	0.198	25%	0.254	C	S	.	.	G	3₁₀ helix	trans	-60.8	-26.9	-174.7	0	0	0	0	0	112.8	V144 W148 W149 S194	V144-A146 PolarHBondContact O-N 2.83Å; A146-W148 PolarHBondContact O-N 3.19Å; A146-W149 WeakPolarHBondContact O-CB 3.3Å; A146-W149 PolarHBondContact O-N 3.1Å; A146-W149 VanDerWaalsContact O-N 3.07Å; A146-S194 WeakPolarHBondContact CB-O 3.22Å; A146-S194 PolarHBondContact N-O 3.22Å
147	V	97	Very high	96.9	Very high	103 Å²	103	51.1 Å²	51.1	62%	0.624	27%	0.272	S	S	*	.	G	3₁₀ helix	trans	-57.8	-25.2	172.7	58.2	0	0	0	0	113.1	P145	P145-V147 HydrophobicContact CB-CG1 3.86Å; P145-V147 PolarHBondContact O-N 3.28Å; P145-V147 VanDerWaalsContact O-N 3.08Å
148	W	96.6	Very high	96.9	Very high	69 Å²	69	55.3 Å²	55.3	26%	0.261	29%	0.291	S	S	.	.	G	3₁₀ helix	trans	-92.3	7.6	178.2	-66.5	1.8	0	0	0	113.9	V144 P145 A146 K150 N151 A152 W159 A163 S166 H168 H199	V144-W148 HydrophobicContact CB-CE3 4.5Å; V144-W148 HydrophobicContact CG2-CB 4.2Å; P145-W148 WeakPolarHBondContact O-CB 3.38Å; P145-W148 PolarHBondContact O-N 3.48Å; A146-W148 PolarHBondContact O-N 3.19Å; W148-K150 PolarHBondContact O-N 3.14Å; W148-N151 PolarHBondContact O-N 2.97Å; W148-A152 PolarHBondContact O-N 3.23Å; W148-W159 HydrophobicContact CE3-CH2 4.34Å; W148-A163 HydrophobicContact CE3-CB 4.44Å; W148-A163 HydrophobicContact CZ3-CB 3.9Å; W148-S166 VanDerWaalsContact CH2-CB 3.41Å; W148-H168 AromaticContact CZ2-CD2 3.94Å; W148-H199 AromaticContact CE3-CE1 3.8Å; W148-H199 AromaticContact CZ3-CE1 3.51Å
149	W	95.7	Very high	96.8	Very high	115 Å²	115	58.3 Å²	58.3	44%	0.436	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.8	-35.6	-172.9	79.1	-98	0	0	0	113.7	H124 A146 Q153	H124-W149 HydrophobicContact CB-CB 3.98Å; A146-W149 WeakPolarHBondContact O-CB 3.3Å; A146-W149 PolarHBondContact O-N 3.1Å; A146-W149 VanDerWaalsContact O-N 3.07Å; W149-Q153 HydrophobicContact CE3-CG 4.48Å; W149-Q153 WeakPolarHBondContact O-CG 3.43Å; W149-Q153 PolarHBondContact O-NE2 3.15Å
150	K	96.1	Very high	96.8	Very high	142 Å²	142	58.8 Å²	58.8	62%	0.617	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69	-45.6	176.4	-64.6	-176	180	177.4	0	112	W148 A152 Q153	W148-K150 PolarHBondContact O-N 3.14Å; K150-A152 PolarHBondContact O-N 3.11Å; K150-Q153 PolarHBondContact O-N 2.8Å
151	N	95.6	Very high	96.7	Very high	99 Å²	99	61 Å²	61	53%	0.529	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-30.7	-178.2	-59.6	57.1	0	0	0	111.9	W148 K155 W159	W148-N151 PolarHBondContact O-N 2.97Å; N151-K155 WeakPolarHBondContact O-CE 3.47Å; N151-K155 WeakPolarHBondContact O-CG 3.36Å; N151-W159 HydrophobicContact CB-CH2 4.32Å; N151-W159 HydrophobicContact CB-CZ2 4.09Å
152	A	95.9	Very high	96.6	Very high	3 Å²	3	65.8 Å²	65.8	3%	0.025	34%	0.34	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.8	-9	179.9	0	0	0	0	0	114.6	H124 V144 W148 K150 G154 K155 W159 Y160	H124-A152 HydrophobicContact CB-CB 4.23Å; V144-A152 HydrophobicContact CG2-CB 3.93Å; W148-A152 PolarHBondContact O-N 3.23Å; K150-A152 PolarHBondContact O-N 3.11Å; A152-G154 PolarHBondContact O-N 3.14Å; A152-K155 PolarHBondContact O-N 2.82Å; A152-W159 HydrophobicContact CB-CH2 3.87Å; A152-W159 HydrophobicContact CB-CZ3 3.64Å; A152-Y160 HydrophobicContact CB-CE2 4.42Å
153	Q	94.6	Very high	96.6	Very high	95 Å²	95	66.1 Å²	66.1	44%	0.444	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68	128.8	178.7	-62.4	-51.4	-67.7	0	0	111	N123 W149 K150 K155	N123-Q153 PolarHBondContact O-NE2 3.04Å; W149-Q153 HydrophobicContact CE3-CG 4.48Å; W149-Q153 WeakPolarHBondContact O-CG 3.43Å; W149-Q153 PolarHBondContact O-NE2 3.15Å; K150-Q153 PolarHBondContact O-N 2.8Å; Q153-K155 PolarHBondContact O-N 3.15Å
154	G	92.1	Very high	96.5	Very high	90 Å²	90	66.1 Å²	66.1	93%	0.928	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.5	16.8	179.4	0	0	0	0	0	114.8	A152	A152-G154 PolarHBondContact O-N 3.14Å
155	K	96.3	Very high	96.4	Very high	97 Å²	97	69.2 Å²	69.2	42%	0.422	37%	0.368	S	S	.	.			trans	-85.7	150.7	176.3	-65.5	-60.5	-169.4	177.2	0	112.1	N151 A152 Q153 W159 Y160	N151-K155 WeakPolarHBondContact O-CE 3.47Å; N151-K155 WeakPolarHBondContact O-CG 3.36Å; A152-K155 PolarHBondContact O-N 2.82Å; Q153-K155 PolarHBondContact O-N 3.15Å; K155-W159 HydrophobicContact CB-CB 4.11Å; K155-W159 HydrophobicContact CB-CD2 3.83Å; K155-W159 HydrophobicContact CB-CE3 3.57Å; K155-W159 HydrophobicContact CB-CG 4.06Å; K155-W159 HydrophobicContact CB-CZ3 4.35Å; K155-W159 HydrophobicContact CD-CB 4.19Å; K155-W159 HydrophobicContact CD-CD2 3.88Å; K155-W159 HydrophobicContact CD-CE3 4.44Å; K155-W159 HydrophobicContact CD-CG 3.71Å; K155-W159 HydrophobicContact CG-CB 4.43Å; K155-W159 HydrophobicContact CG-CD2 3.57Å; K155-W159 HydrophobicContact CG-CE3 3.64Å; K155-W159 HydrophobicContact CG-CG 3.92Å; K155-W159 HydrophobicContact CG-CZ3 4.22Å; K155-Y160 HydrophobicContact CB-CD2 4.12Å; K155-Y160 HydrophobicContact CB-CE2 3.9Å
156	D	95.6	Very high	96.1	Very high	102 Å²	102	70.6 Å²	70.6	55%	0.545	38%	0.378	S	S	.	.			trans	-90.5	175.5	178.7	59.5	21.5	0	0	0	112.4	M158 W159 Y160	D156-M158 PolarHBondContact O-N 3.18Å; D156-M158 PolarHBondContact OD1-N 3.41Å; D156-W159 PolarHBondContact O-N 3.1Å; D156-W159 PolarHBondContact OD1-N 2.88Å; D156-Y160 WeakPolarHBondContact O-CD2 3.41Å; D156-Y160 PolarHBondContact O-N 2.97Å
157	Q	95.9	Very high	95.8	Very high	93 Å²	93	74.5 Å²	74.5	44%	0.435	40%	0.404	S	S	.	.	H	α-helix	trans	-58.5	-31.9	177.5	-79.2	172.5	-19.8	0	0	113	C126 N127 Y128 Y160 E161	C126-Q157 VanDerWaalsContact SG-CG 3.57Å; N127-Q157 PolarHBondContact O-NE2 3.45Å; Y128-Q157 HydrophobicContact CD1-CB 4.26Å; Y128-Q157 HydrophobicContact CD1-CG 3.94Å; Y128-Q157 HydrophobicContact CE1-CB 3.59Å; Y128-Q157 HydrophobicContact CE1-CG 3.66Å; Y128-Q157 PolarHBondContact OH-O 3.43Å; Q157-Y160 PolarHBondContact O-N 3.1Å; Q157-E161 WeakPolarHBondContact O-CG 3.46Å; Q157-E161 PolarHBondContact O-N 3.07Å
158	M	96.8	Very high	95.8	Very high	130 Å²	130	71.3 Å²	71.3	64%	0.64	38%	0.382	S	S	*	.	H	α-helix	trans	-70.5	-45.3	-178	-171	170	-179.5	0	0	111.3	D156 Y160 E161 D162	D156-M158 PolarHBondContact O-N 3.18Å; D156-M158 PolarHBondContact OD1-N 3.41Å; M158-Y160 VanDerWaalsContact C-N 3.27Å; M158-Y160 PolarHBondContact O-N 3.35Å; M158-E161 PolarHBondContact O-N 2.94Å; M158-E161 VanDerWaalsContact O-N 3.07Å; M158-D162 PolarHBondContact O-N 3.4Å
159	W	97.8	Very high	95.8	Very high	62 Å²	62	68.1 Å²	68.1	24%	0.235	37%	0.37	C	S	.	.	H	α-helix	trans	-61	-35.8	175	-179.1	84.7	0	0	0	112.9	V144 W148 N151 A152 K155 D156 A163	V144-W159 HydrophobicContact CG1-CZ3 4.27Å; W148-W159 HydrophobicContact CE3-CH2 4.34Å; N151-W159 HydrophobicContact CB-CH2 4.32Å; N151-W159 HydrophobicContact CB-CZ2 4.09Å; A152-W159 HydrophobicContact CB-CH2 3.87Å; A152-W159 HydrophobicContact CB-CZ3 3.64Å; K155-W159 HydrophobicContact CB-CB 4.11Å; K155-W159 HydrophobicContact CB-CD2 3.83Å; K155-W159 HydrophobicContact CB-CE3 3.57Å; K155-W159 HydrophobicContact CB-CG 4.06Å; K155-W159 HydrophobicContact CB-CZ3 4.35Å; K155-W159 HydrophobicContact CD-CB 4.19Å; K155-W159 HydrophobicContact CD-CD2 3.88Å; K155-W159 HydrophobicContact CD-CE3 4.44Å; K155-W159 HydrophobicContact CD-CG 3.71Å; K155-W159 HydrophobicContact CG-CB 4.43Å; K155-W159 HydrophobicContact CG-CD2 3.57Å; K155-W159 HydrophobicContact CG-CE3 3.64Å; K155-W159 HydrophobicContact CG-CG 3.92Å; K155-W159 HydrophobicContact CG-CZ3 4.22Å; D156-W159 PolarHBondContact O-N 3.1Å; D156-W159 PolarHBondContact OD1-N 2.88Å; W159-A163 VanDerWaalsContact O-CB 3.29Å; W159-A163 WeakPolarHBondContact O-CB 3.45Å; W159-A163 PolarHBondContact O-N 3.21Å
160	Y	97.9	Very high	95.9	Very high	10 Å²	10	62.6 Å²	62.6	4%	0.039	35%	0.35	C	S	.	.	H	α-helix	trans	-72.2	-32.8	174.2	-84.9	-102.2	0	0	0	112.1	H124 T125 C126 Y128 H142 V144 A152 K155 D156 Q157 M158 A163	H124-Y160 VanDerWaalsContact C-OH 3.29Å; T125-Y160 PolarHBondContact N-OH 3.32Å; C126-Y160 HydrophobicContact CB-CD1 3.6Å; C126-Y160 HydrophobicContact CB-CD2 3.7Å; C126-Y160 HydrophobicContact CB-CE1 3.8Å; C126-Y160 HydrophobicContact CB-CE2 3.89Å; C126-Y160 HydrophobicContact CB-CG 3.55Å; Y128-Y160 WeakPolarHBondContact OH-CB 3.49Å; H142-Y160 PolarHBondContact CE1-O 2.96Å; H142-Y160 AromaticContact ND1-CD1 3.73Å; H142-Y160 PolarHBondContact ND1-O 2.88Å; V144-Y160 HydrophobicContact CG1-CD1 3.7Å; V144-Y160 HydrophobicContact CG1-CE1 3.91Å; V144-Y160 HydrophobicContact CG2-CE1 4.32Å; A152-Y160 HydrophobicContact CB-CE2 4.42Å; K155-Y160 HydrophobicContact CB-CD2 4.12Å; K155-Y160 HydrophobicContact CB-CE2 3.9Å; D156-Y160 WeakPolarHBondContact O-CD2 3.41Å; D156-Y160 PolarHBondContact O-N 2.97Å; Q157-Y160 PolarHBondContact O-N 3.1Å; M158-Y160 VanDerWaalsContact C-N 3.27Å; M158-Y160 PolarHBondContact O-N 3.35Å; Y160-A163 WeakPolarHBondContact O-CB 3.49Å; Y160-A163 PolarHBondContact O-N 2.79Å
161	E	96.9	Very high	96.1	Very high	47 Å²	47	55.9 Å²	55.9	22%	0.22	32%	0.32	C	S	.	.	H	α-helix	trans	-66.6	-46.9	172	-76.6	-176.1	-154.5	0	0	111.6	Y128 Q157 M158 A163 L164 W230 R234	Y128-E161 HydrophobicContact CE1-CG 3.75Å; Y128-E161 VanDerWaalsContact CE1-OE1 3.29Å; Y128-E161 WeakPolarHBondContact CE1-OE1 3.19Å; Y128-E161 PolarHBondContact OH-N 2.89Å; Q157-E161 WeakPolarHBondContact O-CG 3.46Å; Q157-E161 PolarHBondContact O-N 3.07Å; M158-E161 PolarHBondContact O-N 2.94Å; M158-E161 VanDerWaalsContact O-N 3.07Å; E161-A163 PolarHBondContact O-N 3.09Å; E161-L164 WeakPolarHBondContact O-CB 3.5Å; E161-L164 PolarHBondContact O-N 2.82Å; E161-L164 VanDerWaalsContact O-N 3.15Å; E161-W230 HydrophobicContact CG-CH2 4.13Å; E161-W230 HydrophobicContact CG-CZ2 3.67Å; E161-R234 VanDerWaalsContact CD-NE 3.25Å; E161-R234 IonicContact OE1-NH2 2.69Å; E161-R234 IonicContact OE2-CZ 2.78Å; E161-R234 IonicContact OE2-NE 3.61Å; E161-R234 PolarHBondContact OE2-NE 2.98Å; E161-R234 IonicContact OE2-NH2 3.66Å; E161-R234 PolarHBondContact OE2-NH2 3.11Å
162	D	97	Very high	96.2	Very high	100 Å²	100	51.1 Å²	51.1	54%	0.535	30%	0.295	S	S	.	.	H	α-helix	trans	-59.6	-34.5	174.5	-68.2	-24.7	0	0	0	111.7	M158 L164 A165	M158-D162 PolarHBondContact O-N 3.4Å; D162-L164 PolarHBondContact O-N 2.78Å; D162-A165 WeakPolarHBondContact O-CB 3.41Å; D162-A165 PolarHBondContact O-N 3.26Å
163	A	97.4	Very high	96.4	Very high	8 Å²	8	51.1 Å²	51.1	7%	0.066	29%	0.294	C	S	.	.	G	3₁₀ helix	trans	-62.1	-20.7	178.4	0	0	0	0	0	113.7	V144 W148 W159 Y160 E161 A165 S166 H199	V144-A163 HydrophobicContact CG1-CB 4.11Å; W148-A163 HydrophobicContact CE3-CB 4.44Å; W148-A163 HydrophobicContact CZ3-CB 3.9Å; W159-A163 VanDerWaalsContact O-CB 3.29Å; W159-A163 WeakPolarHBondContact O-CB 3.45Å; W159-A163 PolarHBondContact O-N 3.21Å; Y160-A163 WeakPolarHBondContact O-CB 3.49Å; Y160-A163 PolarHBondContact O-N 2.79Å; E161-A163 PolarHBondContact O-N 3.09Å; A163-A165 VanDerWaalsContact C-N 3.26Å; A163-A165 PolarHBondContact O-N 2.99Å; A163-S166 VanDerWaalsContact O-CB 3.22Å; A163-S166 WeakPolarHBondContact O-CB 3.45Å; A163-S166 PolarHBondContact O-N 3.48Å; A163-S166 PolarHBondContact O-OG 2.69Å; A163-H199 WeakPolarHBondContact CB-CE1 3.5Å; A163-H199 PolarHBondContact O-CE1 2.68Å; A163-H199 PolarHBondContact O-NE2 2.81Å
164	L	97.3	Very high	96.6	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	27%	0.273	C	S	.	.	G	3₁₀ helix	trans	-68.3	-24.1	173.8	-67.6	167.7	0	0	0	112.5	H142 E161 D162 S166 I170 H199 V201 W230 R234 S235 N238	H142-L164 WeakPolarHBondContact NE2-CD2 3.36Å; E161-L164 WeakPolarHBondContact O-CB 3.5Å; E161-L164 PolarHBondContact O-N 2.82Å; E161-L164 VanDerWaalsContact O-N 3.15Å; D162-L164 PolarHBondContact O-N 2.78Å; L164-S166 PolarHBondContact O-N 3.09Å; L164-I170 HydrophobicContact CB-CD1 4.4Å; L164-I170 HydrophobicContact CD2-CD1 3.95Å; L164-I170 HydrophobicContact CD2-CG1 4Å; L164-I170 HydrophobicContact CD2-CG2 4.37Å; L164-H199 HydrophobicContact CD2-CB 4.29Å; L164-V201 HydrophobicContact CD2-CG2 4.31Å; L164-W230 HydrophobicContact CD1-CH2 4.01Å; L164-W230 HydrophobicContact CD1-CZ3 3.76Å; L164-R234 CarbonylContact C-O 3.59Å; L164-R234 VanDerWaalsContact C-O 3.31Å; L164-R234 HydrophobicContact CB-CB 3.94Å; L164-R234 HydrophobicContact CD1-CB 3.78Å; L164-S235 WeakPolarHBondContact O-CA 3.45Å; L164-N238 PolarHBondContact O-ND2 3.34Å; L164-N238 VanDerWaalsContact O-ND2 3.12Å
165	A	96.4	Very high	96.8	Very high	65 Å²	65	42.3 Å²	42.3	54%	0.537	23%	0.229	S	C	.	.	G	3₁₀ helix	trans	-84.3	22.9	177.4	0	0	0	0	0	113.6	D162 A163 R234	D162-A165 WeakPolarHBondContact O-CB 3.41Å; D162-A165 PolarHBondContact O-N 3.26Å; A163-A165 VanDerWaalsContact C-N 3.26Å; A163-A165 PolarHBondContact O-N 2.99Å; A165-R234 WeakPolarHBondContact CA-O 3.31Å; A165-R234 WeakPolarHBondContact CB-O 3.41Å; A165-R234 PolarHBondContact N-O 3Å; A165-R234 VanDerWaalsContact N-O 3.15Å
166	S	92.8	Very high	96.7	Very high	29 Å²	29	37.7 Å²	37.7	20%	0.203	21%	0.209	C	C	.	.	S	Bend	trans	-73.7	-154.3	-179.1	67.3	0	0	0	0	114	W148 A163 L164 H168 H199 N238	W148-S166 VanDerWaalsContact CH2-CB 3.41Å; A163-S166 VanDerWaalsContact O-CB 3.22Å; A163-S166 WeakPolarHBondContact O-CB 3.45Å; A163-S166 PolarHBondContact O-N 3.48Å; A163-S166 PolarHBondContact O-OG 2.69Å; L164-S166 PolarHBondContact O-N 3.09Å; S166-H168 PolarHBondContact OG-N 3.32Å; S166-H199 WeakPolarHBondContact CB-NE2 3.45Å; S166-H199 PolarHBondContact OG-NE2 2.94Å; S166-N238 PolarHBondContact N-ND2 2.79Å; S166-N238 PolarHBondContact O-ND2 3.13Å; S166-N238 PolarHBondContact O-OD1 3.01Å
167	S	90.9	Very high	96.5	Very high	106 Å²	106	35.4 Å²	35.4	74%	0.741	20%	0.197	S	C	*	.	S	Bend	trans	-106.1	11.4	163.2	55.3	0	0	0	0	113.1	N238	S167-N238 WeakPolarHBondContact CA-OD1 3.35Å
168	H	95.8	Very high	96.1	Very high	35 Å²	35	31.8 Å²	31.8	16%	0.162	18%	0.183	C	C	.	.	S	Bend	trans	-99	121.5	-179.3	-69.4	-90.3	0	0	0	111.4	P145 W148 S166 G197 H199 N238	P145-H168 HydrophobicContact CG-CB 3.66Å; P145-H168 VanDerWaalsContact CG-CG 3.41Å; W148-H168 AromaticContact CZ2-CD2 3.94Å; S166-H168 PolarHBondContact OG-N 3.32Å; H168-G197 PolarHBondContact ND1-O 2.82Å; H168-H199 PolarHBondContact O-CD2 2.97Å; H168-N238 PolarHBondContact N-OD1 2.99Å; H168-N238 PolarHBondContact O-OD1 3.2Å
169	A	97.2	Very high	95.7	Very high	2 Å²	2	26 Å²	26	2%	0.017	16%	0.157	C	C	.	.			trans	-53.6	148.5	169.5	0	0	0	0	0	112.8	Y198 H199 P239 Y241	A169-Y198 HydrophobicContact CB-CD1 3.86Å; A169-Y198 HydrophobicContact CB-CE1 4.02Å; A169-Y198 WeakPolarHBondContact O-CA 3.39Å; A169-H199 PolarHBondContact O-N 2.83Å; A169-P239 HydrophobicContact CB-CG 3.7Å; A169-Y241 HydrophobicContact CB-CD2 4.39Å; A169-Y241 HydrophobicContact CB-CE2 3.61Å
170	I	98.7	Very high	95.5	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	139	-173.4	-57.3	148.4	0	0	0	109.7	L164 H199 V201 I231 N238 P239 V240 Y241	L164-I170 HydrophobicContact CB-CD1 4.4Å; L164-I170 HydrophobicContact CD2-CD1 3.95Å; L164-I170 HydrophobicContact CD2-CG1 4Å; L164-I170 HydrophobicContact CD2-CG2 4.37Å; I170-H199 HydrophobicContact CB-CB 4.25Å; I170-H199 HydrophobicContact CG1-CB 3.87Å; I170-H199 HydrophobicContact CG2-CB 4.17Å; I170-V201 HydrophobicContact CG2-CG2 4.06Å; I170-I231 HydrophobicContact CD1-CG2 3.93Å; I170-I231 HydrophobicContact CG2-CG2 3.91Å; I170-N238 HydrophobicContact CD1-CB 4.18Å; I170-P239 PolarHBondContact N-O 3.27Å; I170-V240 HydrophobicContact CB-CG2 4.25Å; I170-V240 HydrophobicContact CD1-CG2 4.08Å; I170-V240 WeakPolarHBondContact O-CA 3.45Å; I170-Y241 PolarHBondContact O-N 3.37Å
171	I	98.8	Very high	95.4	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	117.5	172.1	-61.6	174	0	0	0	109	L193 Y198 H199 V201 Y241 W243	I171-L193 HydrophobicContact CD1-CB 4.38Å; I171-L193 HydrophobicContact CD1-CD1 3.95Å; I171-L193 HydrophobicContact CD1-CD2 3.8Å; I171-L193 HydrophobicContact CD1-CG 4.25Å; I171-L193 HydrophobicContact CG2-CD1 4.21Å; I171-Y198 HydrophobicContact CD1-CD1 4.01Å; I171-Y198 HydrophobicContact CD1-CD2 3.71Å; I171-Y198 HydrophobicContact CD1-CE2 4.26Å; I171-Y198 HydrophobicContact CD1-CG 3.6Å; I171-Y198 HydrophobicContact CG1-CD1 4.2Å; I171-Y198 HydrophobicContact CG1-CG 4.11Å; I171-H199 PolarHBondContact N-O 3Å; I171-V201 PolarHBondContact O-N 2.86Å; I171-Y241 CarbonylContact C-O 3.57Å; I171-Y241 WeakPolarHBondContact CA-O 3.38Å; I171-Y241 HydrophobicContact CG1-CD2 4.15Å; I171-W243 HydrophobicContact CG2-CB 3.83Å; I171-W243 HydrophobicContact CG2-CE3 4.47Å
172	L	98.9	Very high	95.4	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	105	166.6	174.6	53.7	0	0	0	109.1	L174 V201 F203 V227 F228 I231 Y241 I242 W243 L255	L172-L174 HydrophobicContact CD1-CD2 4.3Å; L172-L174 HydrophobicContact CG-CD2 4.21Å; L172-L174 HydrophobicContact CG-CG 4.48Å; L172-V201 CarbonylContact C-O 3.57Å; L172-V201 WeakPolarHBondContact CA-O 3.03Å; L172-V201 HydrophobicContact CD1-CG1 4.46Å; L172-F203 HydrophobicContact CD1-CD1 4.23Å; L172-F203 HydrophobicContact CD1-CE1 4.23Å; L172-V227 HydrophobicContact CD1-CG1 3.72Å; L172-V227 HydrophobicContact CD2-CG1 4.5Å; L172-F228 HydrophobicContact CD2-CB 3.92Å; L172-F228 HydrophobicContact CD2-CD2 4.22Å; L172-I231 HydrophobicContact CB-CD1 4.04Å; L172-I231 HydrophobicContact CD1-CD1 4.09Å; L172-I231 HydrophobicContact CD2-CD1 4.25Å; L172-I231 HydrophobicContact CG-CD1 4.35Å; L172-Y241 PolarHBondContact N-O 2.89Å; L172-I242 HydrophobicContact CB-CG1 4.31Å; L172-I242 HydrophobicContact CD2-CG1 4.43Å; L172-W243 PolarHBondContact O-N 2.69Å; L172-L255 HydrophobicContact CD2-CD2 3.98Å
173	Y	98.9	Very high	95.2	Very high	2 Å²	2	15.9 Å²	15.9	1%	0.008	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	125	177.8	-179	-95.3	0	0	0	111.8	H175 R186 L189 Y190 V201 T202 W243 H245	Y173-H175 HydrophobicContact CD1-CB 4.24Å; Y173-H175 HydrophobicContact CE1-CB 3.62Å; Y173-R186 HydrophobicContact CE1-CB 4.29Å; Y173-R186 HydrophobicContact CE1-CG 4.29Å; Y173-L189 HydrophobicContact CD2-CD2 3.86Å; Y173-L189 HydrophobicContact CE2-CD2 3.34Å; Y173-Y190 AromaticContact CD1-CE1 3.58Å; Y173-Y190 HydrophobicContact CD1-CE1 3.58Å; Y173-Y190 AromaticContact CE1-CE1 3.96Å; Y173-Y190 HydrophobicContact CE1-CE1 3.96Å; Y173-Y190 AromaticContact CG-CE1 3.97Å; Y173-Y190 HydrophobicContact CG-CE1 3.97Å; Y173-V201 PolarHBondContact N-O 2.89Å; Y173-T202 PolarHBondContact O-OG1 3.13Å; Y173-W243 CarbonylContact C-O 3.58Å; Y173-W243 WeakPolarHBondContact CA-O 3.47Å; Y173-W243 HydrophobicContact CD2-CB 4.11Å; Y173-W243 AromaticContact CD2-CD1 3.47Å; Y173-W243 VanDerWaalsContact CD2-CD1 3.47Å; Y173-W243 AromaticContact CD2-CG 3.83Å; Y173-W243 HydrophobicContact CD2-CG 3.83Å; Y173-W243 AromaticContact CE2-CD1 3.52Å; Y173-W243 HydrophobicContact CE2-CG 4.3Å; Y173-W243 AromaticContact CE2-NE1 3.79Å; Y173-H245 HydrophobicContact CE2-CB 3.97Å; Y173-H245 WeakPolarHBondContact OH-CB 3.34Å
174	L	98.8	Very high	95.1	Very high	0 Å²	0	20 Å²	20	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	107.6	179.5	-59.3	176.3	0	0	0	108.1	L172 F203 Y205 A224 I242 W243 H245 V251 A252 L255	L172-L174 HydrophobicContact CD1-CD2 4.3Å; L172-L174 HydrophobicContact CG-CD2 4.21Å; L172-L174 HydrophobicContact CG-CG 4.48Å; L174-F203 HydrophobicContact CD2-CD1 4.36Å; L174-F203 HydrophobicContact CD2-CE1 3.38Å; L174-F203 HydrophobicContact CD2-CZ 3.85Å; L174-Y205 VanDerWaalsContact C-OH 3.25Å; L174-Y205 HydrophobicContact CD2-CE1 4.32Å; L174-A224 HydrophobicContact CD2-CB 4.01Å; L174-I242 HydrophobicContact CD1-CG2 3.79Å; L174-W243 PolarHBondContact N-O 3.21Å; L174-H245 PolarHBondContact O-N 2.84Å; L174-V251 HydrophobicContact CD1-CB 4.4Å; L174-V251 HydrophobicContact CD1-CG1 4.28Å; L174-A252 HydrophobicContact CD1-CB 3.78Å; L174-L255 HydrophobicContact CD1-CD2 4.12Å
175	H	97.6	Very high	95	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	14%	0.137	C	C	.	.			trans	-75.6	155.8	-166.7	73.1	66.4	0	0	0	114.2	Y173 R186 F203 D204 Y205 W208 G248	Y173-H175 HydrophobicContact CD1-CB 4.24Å; Y173-H175 HydrophobicContact CE1-CB 3.62Å; H175-R186 PolarHBondContact ND1-NH1 2.86Å; H175-F203 PolarHBondContact CD2-O 2.98Å; H175-D204 IonicContact NE2-OD1 3.83Å; H175-D204 PolarHBondContact NE2-OD1 3.25Å; H175-Y205 AromaticContact CE1-CD2 3.55Å; H175-Y205 AromaticContact CE1-CE2 3.38Å; H175-Y205 WeakPolarHBondContact CE1-CE2 3.4Å; H175-Y205 PolarHBondContact N-OH 3.25Å; H175-Y205 VanDerWaalsContact N-OH 3.11Å; H175-Y205 AromaticContact ND1-CE2 3.62Å; H175-Y205 AromaticContact NE2-CD2 3.68Å; H175-Y205 AromaticContact NE2-CE2 3.68Å; H175-Y205 WeakPolarHBondContact O-CE2 3.35Å; H175-Y205 PolarHBondContact O-OH 3.45Å; H175-W208 AromaticContact CE1-CD1 3.69Å; H175-W208 AromaticContact CE1-NE1 3.94Å; H175-G248 WeakPolarHBondContact O-CA 3.44Å; H175-G248 PolarHBondContact O-N 2.99Å
176	G	93.6	Very high	95	Very high	1 Å²	1	18.4 Å²	18.4	1%	0.01	11%	0.113	C	C	.	.			trans	-68.2	-176.2	175.6	0	0	0	0	0	115.8	R186 H245	G176-R186 PolarHBondContact O-NH2 2.77Å; G176-H245 WeakPolarHBondContact CA-O 3.4Å; G176-H245 PolarHBondContact N-O 2.99Å
177	N	90.6	Very high	95.2	Very high	53 Å²	53	17.3 Å²	17.3	28%	0.283	10%	0.104	S	C	.	.	S	Bend	trans	-60.7	152.5	-178.5	-156.4	-6.3	0	0	0	112	I101 F102 R186 L247	I101-N177 PolarHBondContact O-ND2 2.82Å; I101-N177 PolarHBondContact O-OD1 2.86Å; F102-N177 PolarHBondContact O-OD1 2.82Å; N177-R186 PolarHBondContact O-NH2 2.84Å; N177-L247 HydrophobicContact CB-CB 3.98Å; N177-L247 HydrophobicContact CB-CD2 4.1Å
178	A	87.3	Confident	95.5	Very high	18 Å²	18	15.8 Å²	15.8	15%	0.149	9%	0.086	C	C	.	.	S	Bend	trans	53.9	-173.4	-179	0	0	0	0	0	115.3	L103 V106 R186	L103-A178 HydrophobicContact CB-CB 3.78Å; L103-A178 HydrophobicContact CD1-CB 4.43Å; V106-A178 HydrophobicContact CB-CB 4.09Å; V106-A178 HydrophobicContact CG1-CB 4.34Å; A178-R186 PolarHBondContact O-NH1 3.38Å; A178-R186 VanDerWaalsContact O-NH1 3.08Å; A178-R186 PolarHBondContact O-NH2 3Å
179	G	89.1	Confident	95.7	Very high	9 Å²	9	14.2 Å²	14.2	9%	0.093	8%	0.079	C	C	.	.	S	Bend	trans	73.2	-155.9	175.2	0	0	0	0	0	113.3	V106	V106-G179 VanDerWaalsContact O-CA 3.31Å; V106-G179 WeakPolarHBondContact O-CA 3.36Å; V106-G179 PolarHBondContact O-N 2.87Å
180	T	93.9	Very high	95.7	Very high	1 Å²	1	14.1 Å²	14.1	1%	0.006	8%	0.078	C	C	.	.			trans	-139.7	175.9	172.2	67.7	0	0	0	0	110.3	R107 L114 G182 G183 R186 D204	R107-T180 HydrophobicContact CB-CG2 4.45Å; R107-T180 HydrophobicContact CG-CG2 4.32Å; L114-T180 HydrophobicContact CD1-CG2 4.19Å; T180-G182 PolarHBondContact O-N 2.81Å; T180-G182 PolarHBondContact OG1-N 3.17Å; T180-G183 PolarHBondContact O-N 3.32Å; T180-G183 VanDerWaalsContact O-N 3.1Å; T180-R186 WeakPolarHBondContact O-CD 3.48Å; T180-R186 PolarHBondContact O-NH1 2.86Å; T180-D204 WeakPolarHBondContact CA-OD1 3.31Å
181	R	96.1	Very high	95.7	Very high	0 Å²	0	17 Å²	17	0%	0	9%	0.09	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57	-26.8	169.6	72	-168.1	172	-90.2	9.3	112.9	L114 N127 G139 W141 G183 Y190 T202 D204 D210	L114-R181 HydrophobicContact CD2-CG 4.13Å; N127-R181 PolarHBondContact OD1-NH2 3.27Å; G139-R181 VanDerWaalsContact C-CZ 3.46Å; G139-R181 PolarHBondContact O-NH1 3.21Å; W141-R181 HydrophobicContact CD2-CG 3.75Å; W141-R181 HydrophobicContact CE3-CB 4.49Å; W141-R181 HydrophobicContact CE3-CG 3.89Å; W141-R181 HydrophobicContact CG-CG 4.23Å; W141-R181 HydrophobicContact CH2-CG 4.4Å; W141-R181 HydrophobicContact CZ2-CG 4.26Å; W141-R181 HydrophobicContact CZ3-CG 4.21Å; W141-R181 VanDerWaalsContact NE1-NE 3.16Å; R181-G183 VanDerWaalsContact C-N 3.35Å; R181-G183 PolarHBondContact O-N 3.05Å; R181-Y190 VanDerWaalsContact O-CE2 3.3Å; R181-Y190 WeakPolarHBondContact O-CE2 3.48Å; R181-Y190 PolarHBondContact O-OH 3.08Å; R181-T202 HydrophobicContact CB-CG2 4.34Å; R181-D204 WeakPolarHBondContact CB-OD2 3.44Å; R181-D204 WeakPolarHBondContact CD-OD2 3.36Å; R181-D204 WeakPolarHBondContact CG-OD2 3.42Å; R181-D204 IonicContact CZ-OD2 3.94Å; R181-D204 VanDerWaalsContact N-CG 3.31Å; R181-D204 PolarHBondContact N-OD1 2.87Å; R181-D204 PolarHBondContact N-OD2 3.45Å; R181-D204 IonicContact NE-OD2 2.96Å; R181-D204 IonicContact NH1-OD2 2.69Å; R181-D204 PolarHBondContact NH1-OD2 2.87Å; R181-D210 IonicContact CZ-OD1 3.93Å; R181-D210 VanDerWaalsContact CZ-OD1 3.31Å; R181-D210 IonicContact NH1-OD1 3.25Å; R181-D210 PolarHBondContact NH1-OD1 2.78Å; R181-D210 IonicContact NH2-OD1 3.82Å; R181-D210 PolarHBondContact NH2-OD1 2.78Å; R181-D210 IonicContact NH2-OD2 2.69Å; R181-D210 PolarHBondContact NH2-OD2 3Å
182	G	95.6	Very high	95.7	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	10%	0.1	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.8	14.6	174.8	0	0	0	0	0	116.8	W141 T180	W141-G182 VanDerWaalsContact CH2-CA 3.48Å; T180-G182 PolarHBondContact O-N 2.81Å; T180-G182 PolarHBondContact OG1-N 3.17Å
183	G	94.7	Very high	95.7	Very high	4 Å²	4	18.7 Å²	18.7	4%	0.041	10%	0.1	C	C	.	.			trans	-68.8	132.7	177	0	0	0	0	0	113.1	T180 R181 H185 R186 V187	T180-G183 PolarHBondContact O-N 3.32Å; T180-G183 VanDerWaalsContact O-N 3.1Å; R181-G183 VanDerWaalsContact C-N 3.35Å; R181-G183 PolarHBondContact O-N 3.05Å; G183-H185 PolarHBondContact O-N 2.87Å; G183-H185 VanDerWaalsContact O-N 3.14Å; G183-R186 WeakPolarHBondContact O-CA 3.39Å; G183-R186 VanDerWaalsContact O-CB 3.23Å; G183-R186 WeakPolarHBondContact O-CB 3.38Å; G183-R186 PolarHBondContact O-N 2.98Å; G183-V187 PolarHBondContact O-N 2.79Å; G183-V187 VanDerWaalsContact O-N 3.11Å
184	D	93.7	Very high	95.6	Very high	96 Å²	96	18.7 Å²	18.7	51%	0.513	10%	0.101	S	C	.	.	H	α-helix	trans	-49.1	-49.9	-163.6	-6.1	-47.5	0	0	0	115	R186 V187 E188	D184-R186 PolarHBondContact O-N 2.85Å; D184-V187 WeakPolarHBondContact O-CB 3.45Å; D184-V187 PolarHBondContact O-N 2.91Å; D184-E188 WeakPolarHBondContact O-CG 3.36Å; D184-E188 PolarHBondContact O-N 2.81Å
185	H	95	Very high	95.6	Very high	26 Å²	26	22.5 Å²	22.5	12%	0.12	13%	0.128	C	C	.	.	H	α-helix	trans	-59.3	-29.9	177	65.1	-69	0	0	0	114.4	G183 L189 K373 Y376	G183-H185 PolarHBondContact O-N 2.87Å; G183-H185 VanDerWaalsContact O-N 3.14Å; H185-L189 PolarHBondContact O-N 3.17Å; H185-K373 HydrophobicContact CB-CD 4.34Å; H185-Y376 HydrophobicContact CB-CE1 3.93Å
186	R	96.5	Very high	95.5	Very high	5 Å²	5	25 Å²	25	2%	0.019	14%	0.141	C	C	.	.	H	α-helix	trans	-77.1	-46.1	177.6	-47.6	175.2	177.5	169.9	-4.7	109.2	Y173 H175 G176 N177 A178 T180 G183 D184 E188 L189 Y190	Y173-R186 HydrophobicContact CE1-CB 4.29Å; Y173-R186 HydrophobicContact CE1-CG 4.29Å; H175-R186 PolarHBondContact ND1-NH1 2.86Å; G176-R186 PolarHBondContact O-NH2 2.77Å; N177-R186 PolarHBondContact O-NH2 2.84Å; A178-R186 PolarHBondContact O-NH1 3.38Å; A178-R186 VanDerWaalsContact O-NH1 3.08Å; A178-R186 PolarHBondContact O-NH2 3Å; T180-R186 WeakPolarHBondContact O-CD 3.48Å; T180-R186 PolarHBondContact O-NH1 2.86Å; G183-R186 WeakPolarHBondContact O-CA 3.39Å; G183-R186 VanDerWaalsContact O-CB 3.23Å; G183-R186 WeakPolarHBondContact O-CB 3.38Å; G183-R186 PolarHBondContact O-N 2.98Å; D184-R186 PolarHBondContact O-N 2.85Å; R186-E188 VanDerWaalsContact C-N 3.3Å; R186-E188 PolarHBondContact O-N 2.92Å; R186-L189 CarbonylContact O-C 3.59Å; R186-L189 WeakPolarHBondContact O-CB 3.26Å; R186-L189 PolarHBondContact O-N 3.07Å; R186-L189 VanDerWaalsContact O-N 3.11Å; R186-Y190 HydrophobicContact CB-CE1 4.14Å; R186-Y190 HydrophobicContact CB-CE2 4.13Å; R186-Y190 WeakPolarHBondContact CB-OH 3.26Å; R186-Y190 WeakPolarHBondContact O-CD1 3.46Å; R186-Y190 WeakPolarHBondContact O-CD2 3.48Å; R186-Y190 WeakPolarHBondContact O-CE1 3.46Å; R186-Y190 PolarHBondContact O-N 2.8Å
187	V	97.6	Very high	95.7	Very high	5 Å²	5	25.6 Å²	25.6	3%	0.03	15%	0.146	C	C	.	.	H	α-helix	trans	-54.2	-44	172.9	169.4	0	0	0	0	111.9	Q120 L122 W141 G183 D184 Y190 K191	Q120-V187 HydrophobicContact CB-CG1 4.25Å; Q120-V187 HydrophobicContact CB-CG2 4.17Å; Q120-V187 WeakPolarHBondContact O-CG1 3.41Å; L122-V187 HydrophobicContact CD1-CG1 4.28Å; L122-V187 HydrophobicContact CD1-CG2 4.26Å; L122-V187 HydrophobicContact CD2-CG1 4.06Å; L122-V187 HydrophobicContact CG-CG1 3.98Å; W141-V187 HydrophobicContact CZ3-CG2 4.38Å; G183-V187 PolarHBondContact O-N 2.79Å; G183-V187 VanDerWaalsContact O-N 3.11Å; D184-V187 WeakPolarHBondContact O-CB 3.45Å; D184-V187 PolarHBondContact O-N 2.91Å; V187-Y190 PolarHBondContact O-N 2.86Å; V187-K191 WeakPolarHBondContact O-CG 3.48Å; V187-K191 PolarHBondContact O-N 2.81Å
188	E	98.1	Very high	96	Very high	74 Å²	74	23.4 Å²	23.4	35%	0.346	13%	0.134	S	C	.	.	H	α-helix	trans	-69.2	-38.9	176	-64.9	-56.5	108.4	0	0	112.8	D184 R186 Y190 K191 V192 Y376	D184-E188 WeakPolarHBondContact O-CG 3.36Å; D184-E188 PolarHBondContact O-N 2.81Å; R186-E188 VanDerWaalsContact C-N 3.3Å; R186-E188 PolarHBondContact O-N 2.92Å; E188-Y190 VanDerWaalsContact C-N 3.31Å; E188-Y190 PolarHBondContact O-N 3.47Å; E188-K191 PolarHBondContact O-N 3.48Å; E188-K191 WeakPolarHBondContact OE1-CD 3.43Å; E188-K191 WeakPolarHBondContact OE1-CE 3.17Å; E188-K191 IonicContact OE1-NZ 2.68Å; E188-K191 PolarHBondContact OE1-NZ 2.88Å; E188-V192 WeakPolarHBondContact O-CG2 3.36Å; E188-V192 PolarHBondContact O-N 3.29Å; E188-Y376 HydrophobicContact CB-CD2 3.87Å; E188-Y376 HydrophobicContact CB-CE1 4.5Å; E188-Y376 HydrophobicContact CB-CE2 3.31Å; E188-Y376 HydrophobicContact CG-CE2 4.12Å
189	L	98.4	Very high	96.6	Very high	3 Å²	3	22.5 Å²	22.5	2%	0.016	13%	0.127	C	C	.	.	H	α-helix	trans	-60.7	-39.6	171.4	175.5	62.4	0	0	0	111.6	Y173 H185 R186 K191 V192 L193 W243 Y376	Y173-L189 HydrophobicContact CD2-CD2 3.86Å; Y173-L189 HydrophobicContact CE2-CD2 3.34Å; H185-L189 PolarHBondContact O-N 3.17Å; R186-L189 CarbonylContact O-C 3.59Å; R186-L189 WeakPolarHBondContact O-CB 3.26Å; R186-L189 PolarHBondContact O-N 3.07Å; R186-L189 VanDerWaalsContact O-N 3.11Å; L189-K191 VanDerWaalsContact C-N 3.33Å; L189-K191 PolarHBondContact O-N 3.36Å; L189-V192 PolarHBondContact O-N 3.08Å; L189-L193 HydrophobicContact CD1-CD1 3.97Å; L189-L193 HydrophobicContact CD1-CD2 4.36Å; L189-L193 HydrophobicContact CD1-CG 3.9Å; L189-L193 HydrophobicContact CG-CD1 3.99Å; L189-L193 HydrophobicContact CG-CG 4.31Å; L189-L193 WeakPolarHBondContact O-CG 3.47Å; L189-L193 PolarHBondContact O-N 3.16Å; L189-W243 HydrophobicContact CD1-CH2 4.12Å; L189-W243 HydrophobicContact CD1-CZ2 4.03Å; L189-W243 HydrophobicContact CD2-CZ2 4.22Å; L189-Y376 HydrophobicContact CB-CG 4.39Å
190	Y	98.6	Very high	97	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-62.2	-40.6	176.7	-50.8	-27.1	0	0	0	111.8	L122 W141 Y173 R181 R186 V187 E188 L193 S194 V200 T202	L122-Y190 HydrophobicContact CD1-CD2 4Å; W141-Y190 HydrophobicContact CE3-CE2 4.27Å; W141-Y190 HydrophobicContact CZ3-CE2 4.45Å; Y173-Y190 AromaticContact CD1-CE1 3.58Å; Y173-Y190 HydrophobicContact CD1-CE1 3.58Å; Y173-Y190 AromaticContact CE1-CE1 3.96Å; Y173-Y190 HydrophobicContact CE1-CE1 3.96Å; Y173-Y190 AromaticContact CG-CE1 3.97Å; Y173-Y190 HydrophobicContact CG-CE1 3.97Å; R181-Y190 VanDerWaalsContact O-CE2 3.3Å; R181-Y190 WeakPolarHBondContact O-CE2 3.48Å; R181-Y190 PolarHBondContact O-OH 3.08Å; R186-Y190 HydrophobicContact CB-CE1 4.14Å; R186-Y190 HydrophobicContact CB-CE2 4.13Å; R186-Y190 WeakPolarHBondContact CB-OH 3.26Å; R186-Y190 WeakPolarHBondContact O-CD1 3.46Å; R186-Y190 WeakPolarHBondContact O-CD2 3.48Å; R186-Y190 WeakPolarHBondContact O-CE1 3.46Å; R186-Y190 PolarHBondContact O-N 2.8Å; V187-Y190 PolarHBondContact O-N 2.86Å; E188-Y190 VanDerWaalsContact C-N 3.31Å; E188-Y190 PolarHBondContact O-N 3.47Å; Y190-L193 PolarHBondContact O-N 2.99Å; Y190-S194 WeakPolarHBondContact O-CB 3.46Å; Y190-S194 PolarHBondContact O-N 2.98Å; Y190-S194 PolarHBondContact O-OG 2.98Å; Y190-V200 HydrophobicContact CD1-CG1 3.73Å; Y190-V200 HydrophobicContact CE1-CG1 4.43Å; Y190-V200 HydrophobicContact CG-CG1 4.26Å; Y190-T202 HydrophobicContact CE1-CG2 4.12Å; Y190-T202 HydrophobicContact CE2-CG2 3.86Å; Y190-T202 PolarHBondContact OH-OG1 3.44Å
191	K	98.4	Very high	97.3	Very high	60 Å²	60	22 Å²	22	26%	0.261	12%	0.123	S	C	.	.	H	α-helix	trans	-64.2	-42.1	175.2	-66.8	167.2	-169.8	168.5	0	111.8	Q120 G121 L122 V187 E188 L189 S194 S195	Q120-K191 PolarHBondContact O-NZ 2.82Å; G121-K191 WeakPolarHBondContact O-CE 3.25Å; L122-K191 HydrophobicContact CD2-CG 3.85Å; V187-K191 WeakPolarHBondContact O-CG 3.48Å; V187-K191 PolarHBondContact O-N 2.81Å; E188-K191 PolarHBondContact O-N 3.48Å; E188-K191 WeakPolarHBondContact OE1-CD 3.43Å; E188-K191 WeakPolarHBondContact OE1-CE 3.17Å; E188-K191 IonicContact OE1-NZ 2.68Å; E188-K191 PolarHBondContact OE1-NZ 2.88Å; L189-K191 VanDerWaalsContact C-N 3.33Å; L189-K191 PolarHBondContact O-N 3.36Å; K191-S194 PolarHBondContact O-OG 2.94Å; K191-S195 VanDerWaalsContact O-CB 3.3Å; K191-S195 WeakPolarHBondContact O-CB 3.36Å; K191-S195 PolarHBondContact O-N 2.73Å; K191-S195 PolarHBondContact O-OG 3.19Å
192	V	98.1	Very high	97.4	Very high	35 Å²	35	22 Å²	22	21%	0.212	12%	0.123	C	C	.	.	H	α-helix	trans	-59.6	-52.7	173.3	171.5	0	0	0	0	110.1	E188 L189 S194 S195 L196 Y376	E188-V192 WeakPolarHBondContact O-CG2 3.36Å; E188-V192 PolarHBondContact O-N 3.29Å; L189-V192 PolarHBondContact O-N 3.08Å; V192-S194 PolarHBondContact O-N 3.49Å; V192-S195 PolarHBondContact O-N 2.87Å; V192-S195 PolarHBondContact O-OG 3Å; V192-L196 HydrophobicContact CG1-CD1 4.36Å; V192-L196 WeakPolarHBondContact O-CG 3.43Å; V192-L196 PolarHBondContact O-N 2.89Å; V192-L196 VanDerWaalsContact O-N 3.14Å; V192-Y376 HydrophobicContact CG2-CD2 4.41Å
193	L	98.4	Very high	97.6	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-65.2	-39.7	-178	-65	177.8	0	0	0	113	I171 L189 Y190 S195 L196 Y198 V200 W243 L385	I171-L193 HydrophobicContact CD1-CB 4.38Å; I171-L193 HydrophobicContact CD1-CD1 3.95Å; I171-L193 HydrophobicContact CD1-CD2 3.8Å; I171-L193 HydrophobicContact CD1-CG 4.25Å; I171-L193 HydrophobicContact CG2-CD1 4.21Å; L189-L193 HydrophobicContact CD1-CD1 3.97Å; L189-L193 HydrophobicContact CD1-CD2 4.36Å; L189-L193 HydrophobicContact CD1-CG 3.9Å; L189-L193 HydrophobicContact CG-CD1 3.99Å; L189-L193 HydrophobicContact CG-CG 4.31Å; L189-L193 WeakPolarHBondContact O-CG 3.47Å; L189-L193 PolarHBondContact O-N 3.16Å; Y190-L193 PolarHBondContact O-N 2.99Å; L193-S195 VanDerWaalsContact C-N 3.35Å; L193-S195 PolarHBondContact O-N 3.21Å; L193-L196 PolarHBondContact O-N 3.09Å; L193-Y198 WeakPolarHBondContact O-CD2 3.29Å; L193-Y198 PolarHBondContact O-N 2.71Å; L193-V200 HydrophobicContact CB-CG2 3.56Å; L193-V200 HydrophobicContact CD1-CG2 4.48Å; L193-W243 HydrophobicContact CD1-CE3 4.24Å; L193-W243 HydrophobicContact CD1-CZ3 4.32Å; L193-W243 HydrophobicContact CD2-CE3 4.41Å; L193-W243 HydrophobicContact CD2-CH2 4.34Å; L193-W243 HydrophobicContact CD2-CZ3 3.78Å; L193-L385 HydrophobicContact CD2-CD1 3.81Å
194	S	98.3	Very high	97.7	Very high	2 Å²	2	21.9 Å²	21.9	1%	0.014	12%	0.121	C	C	.	.	H	α-helix	trans	-68.9	-33	175.6	77	0	0	0	0	112.3	H124 V144 A146 Y190 K191 V192 L196 G197	H124-S194 PolarHBondContact NE2-OG 3.18Å; V144-S194 WeakPolarHBondContact O-CB 3.43Å; A146-S194 WeakPolarHBondContact CB-O 3.22Å; A146-S194 PolarHBondContact N-O 3.22Å; Y190-S194 WeakPolarHBondContact O-CB 3.46Å; Y190-S194 PolarHBondContact O-N 2.98Å; Y190-S194 PolarHBondContact O-OG 2.98Å; K191-S194 PolarHBondContact O-OG 2.94Å; V192-S194 PolarHBondContact O-N 3.49Å; S194-L196 VanDerWaalsContact C-N 3.25Å; S194-L196 PolarHBondContact O-N 3.31Å; S194-G197 PolarHBondContact O-N 2.78Å
195	S	97.6	Very high	97.9	Very high	81 Å²	81	17.3 Å²	17.3	57%	0.566	10%	0.096	S	C	*	.	H	α-helix	trans	-64.9	-26.7	171.9	79.7	0	0	0	0	113.7	K191 V192 L193 G197	K191-S195 VanDerWaalsContact O-CB 3.3Å; K191-S195 WeakPolarHBondContact O-CB 3.36Å; K191-S195 PolarHBondContact O-N 2.73Å; K191-S195 PolarHBondContact O-OG 3.19Å; V192-S195 PolarHBondContact O-N 2.87Å; V192-S195 PolarHBondContact O-OG 3Å; L193-S195 VanDerWaalsContact C-N 3.35Å; L193-S195 PolarHBondContact O-N 3.21Å; S195-G197 PolarHBondContact O-N 2.74Å
196	L	96.7	Very high	98	Very high	52 Å²	52	16.9 Å²	16.9	27%	0.272	9%	0.093	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.3	7.9	172.8	-62.4	176.5	0	0	0	113.4	V192 L193 S194 Y198 P382 L385	V192-L196 HydrophobicContact CG1-CD1 4.36Å; V192-L196 WeakPolarHBondContact O-CG 3.43Å; V192-L196 PolarHBondContact O-N 2.89Å; V192-L196 VanDerWaalsContact O-N 3.14Å; L193-L196 PolarHBondContact O-N 3.09Å; S194-L196 VanDerWaalsContact C-N 3.25Å; S194-L196 PolarHBondContact O-N 3.31Å; L196-Y198 HydrophobicContact CB-CD2 3.77Å; L196-Y198 HydrophobicContact CB-CE2 3.67Å; L196-Y198 HydrophobicContact CD1-CE2 4.41Å; L196-P382 HydrophobicContact CD1-CB 4.24Å; L196-P382 HydrophobicContact CD1-CG 4.25Å; L196-P382 HydrophobicContact CD2-CB 3.66Å; L196-P382 HydrophobicContact CD2-CG 3.92Å; L196-L385 HydrophobicContact CD1-CD1 4.05Å
197	G	96.8	Very high	97.9	Very high	13 Å²	13	17.3 Å²	17.3	13%	0.134	10%	0.1	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.2	35.2	176	0	0	0	0	0	113.5	H168 S194 S195	H168-G197 PolarHBondContact ND1-O 2.82Å; S194-G197 PolarHBondContact O-N 2.78Å; S195-G197 PolarHBondContact O-N 2.74Å
198	Y	98.2	Very high	97.8	Very high	7 Å²	7	17.1 Å²	17.1	3%	0.027	10%	0.098	C	C	.	.			trans	-102	149.6	166.9	-59.8	-71.9	0	0	0	110.8	A169 I171 L193 L196 Y241 L389	A169-Y198 HydrophobicContact CB-CD1 3.86Å; A169-Y198 HydrophobicContact CB-CE1 4.02Å; A169-Y198 WeakPolarHBondContact O-CA 3.39Å; I171-Y198 HydrophobicContact CD1-CD1 4.01Å; I171-Y198 HydrophobicContact CD1-CD2 3.71Å; I171-Y198 HydrophobicContact CD1-CE2 4.26Å; I171-Y198 HydrophobicContact CD1-CG 3.6Å; I171-Y198 HydrophobicContact CG1-CD1 4.2Å; I171-Y198 HydrophobicContact CG1-CG 4.11Å; L193-Y198 WeakPolarHBondContact O-CD2 3.29Å; L193-Y198 PolarHBondContact O-N 2.71Å; L196-Y198 HydrophobicContact CB-CD2 3.77Å; L196-Y198 HydrophobicContact CB-CE2 3.67Å; L196-Y198 HydrophobicContact CD1-CE2 4.41Å; Y198-Y241 HydrophobicContact CD1-CE2 4.46Å; Y198-Y241 HydrophobicContact CE1-CD2 4.37Å; Y198-Y241 AromaticContact CE1-CE2 3.94Å; Y198-Y241 HydrophobicContact CE1-CE2 3.94Å; Y198-L389 HydrophobicContact CE1-CD1 4.36Å
199	H	98.6	Very high	97.6	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	141.3	153.3	-67.8	-85.6	0	0	0	108.6	H142 T143 V144 P145 W148 A163 L164 S166 H168 A169 I170 I171	H142-H199 AromaticContact CE1-ND1 3.64Å; H142-H199 AromaticContact NE2-CG 3.62Å; H142-H199 AromaticContact NE2-ND1 2.91Å; H142-H199 PolarHBondContact NE2-ND1 3.32Å; T143-H199 CarbonylContact O-C 3.6Å; T143-H199 WeakPolarHBondContact O-CA 3.38Å; V144-H199 VanDerWaalsContact CG1-CE1 3.43Å; V144-H199 WeakPolarHBondContact CG1-CE1 3.27Å; P145-H199 VanDerWaalsContact CD-ND1 3.34Å; P145-H199 WeakPolarHBondContact CD-ND1 3.45Å; W148-H199 AromaticContact CE3-CE1 3.8Å; W148-H199 AromaticContact CZ3-CE1 3.51Å; A163-H199 WeakPolarHBondContact CB-CE1 3.5Å; A163-H199 PolarHBondContact O-CE1 2.68Å; A163-H199 PolarHBondContact O-NE2 2.81Å; L164-H199 HydrophobicContact CD2-CB 4.29Å; S166-H199 WeakPolarHBondContact CB-NE2 3.45Å; S166-H199 PolarHBondContact OG-NE2 2.94Å; H168-H199 PolarHBondContact O-CD2 2.97Å; A169-H199 PolarHBondContact O-N 2.83Å; I170-H199 HydrophobicContact CB-CB 4.25Å; I170-H199 HydrophobicContact CG1-CB 3.87Å; I170-H199 HydrophobicContact CG2-CB 4.17Å; I171-H199 PolarHBondContact N-O 3Å
200	V	98.8	Very high	97.4	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	112.1	176.3	-169	0	0	0	0	108.7	H142 T143 Y190 L193	H142-V200 WeakPolarHBondContact CA-O 3.31Å; T143-V200 PolarHBondContact N-O 3.44Å; T143-V200 PolarHBondContact O-N 2.81Å; Y190-V200 HydrophobicContact CD1-CG1 3.73Å; Y190-V200 HydrophobicContact CE1-CG1 4.43Å; Y190-V200 HydrophobicContact CG-CG1 4.26Å; L193-V200 HydrophobicContact CB-CG2 3.56Å; L193-V200 HydrophobicContact CD1-CG2 4.48Å
201	V	98.9	Very high	97.4	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	131.8	173.7	-175.5	0	0	0	0	108.5	V140 W141 H142 L164 I170 I171 L172 Y173 V227 I231	V140-V201 HydrophobicContact CG1-CG1 3.7Å; W141-V201 WeakPolarHBondContact O-CA 3.47Å; H142-V201 HydrophobicContact CB-CG2 4.24Å; L164-V201 HydrophobicContact CD2-CG2 4.31Å; I170-V201 HydrophobicContact CG2-CG2 4.06Å; I171-V201 PolarHBondContact O-N 2.86Å; L172-V201 CarbonylContact C-O 3.57Å; L172-V201 WeakPolarHBondContact CA-O 3.03Å; L172-V201 HydrophobicContact CD1-CG1 4.46Å; Y173-V201 PolarHBondContact N-O 2.89Å; V201-V227 HydrophobicContact CG1-CG1 4.13Å; V201-I231 HydrophobicContact CB-CD1 3.75Å; V201-I231 HydrophobicContact CB-CG1 4.38Å; V201-I231 HydrophobicContact CG1-CD1 3.79Å; V201-I231 HydrophobicContact CG1-CG1 4.2Å; V201-I231 HydrophobicContact CG2-CD1 4.01Å; V201-I231 HydrophobicContact CG2-CG1 4.21Å
202	T	98.8	Very high	97.3	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	151.5	-178.2	-176.6	0	0	0	0	109.2	V140 W141 Y173 R181 Y190	V140-T202 CarbonylContact C-O 3.6Å; V140-T202 WeakPolarHBondContact CA-O 3.14Å; V140-T202 WeakPolarHBondContact CG1-O 3.38Å; W141-T202 HydrophobicContact CB-CG2 3.83Å; W141-T202 PolarHBondContact N-O 2.99Å; W141-T202 PolarHBondContact O-N 2.55Å; Y173-T202 PolarHBondContact O-OG1 3.13Å; R181-T202 HydrophobicContact CB-CG2 4.34Å; Y190-T202 HydrophobicContact CE1-CG2 4.12Å; Y190-T202 HydrophobicContact CE2-CG2 3.86Å; Y190-T202 PolarHBondContact OH-OG1 3.44Å
203	F	98.7	Very high	97.2	Very high	1 Å²	1	17 Å²	17	0%	0.004	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	158.8	178.5	69.5	-82.4	0	0	0	111.5	V138 G139 V140 L172 L174 H175 Y205 D223 A224 V227	V138-F203 HydrophobicContact CB-CD2 4.2Å; V138-F203 HydrophobicContact CG1-CD2 4.42Å; V138-F203 HydrophobicContact CG2-CD2 4.48Å; G139-F203 VanDerWaalsContact O-CA 3.24Å; G139-F203 WeakPolarHBondContact O-CA 3.11Å; G139-F203 WeakPolarHBondContact O-CB 3.46Å; V140-F203 HydrophobicContact CB-CB 4.18Å; V140-F203 HydrophobicContact CG1-CB 4.23Å; V140-F203 HydrophobicContact CG2-CB 3.8Å; L172-F203 HydrophobicContact CD1-CD1 4.23Å; L172-F203 HydrophobicContact CD1-CE1 4.23Å; L174-F203 HydrophobicContact CD2-CD1 4.36Å; L174-F203 HydrophobicContact CD2-CE1 3.38Å; L174-F203 HydrophobicContact CD2-CZ 3.85Å; H175-F203 PolarHBondContact CD2-O 2.98Å; F203-Y205 HydrophobicContact CD2-CD1 4.43Å; F203-Y205 AromaticContact CE2-CD1 3.49Å; F203-Y205 HydrophobicContact CE2-CD1 3.49Å; F203-Y205 VanDerWaalsContact CE2-CD1 3.49Å; F203-Y205 HydrophobicContact CE2-CE1 4.1Å; F203-Y205 HydrophobicContact CE2-CG 4.27Å; F203-Y205 AromaticContact CZ-CD1 3.73Å; F203-Y205 HydrophobicContact CZ-CD1 3.73Å; F203-Y205 AromaticContact CZ-CE1 3.9Å; F203-Y205 HydrophobicContact CZ-CE1 3.9Å; F203-D223 HydrophobicContact CE2-CB 3.59Å; F203-D223 HydrophobicContact CZ-CB 4.12Å; F203-A224 HydrophobicContact CE1-CB 4.33Å; F203-A224 HydrophobicContact CZ-CB 3.86Å; F203-V227 HydrophobicContact CB-CG2 4.44Å; F203-V227 HydrophobicContact CD1-CB 4.04Å; F203-V227 HydrophobicContact CD1-CG1 3.89Å; F203-V227 HydrophobicContact CD1-CG2 3.73Å; F203-V227 HydrophobicContact CD2-CG2 4.27Å; F203-V227 HydrophobicContact CE1-CB 4.03Å; F203-V227 HydrophobicContact CE1-CG1 4.22Å; F203-V227 HydrophobicContact CE1-CG2 3.96Å; F203-V227 HydrophobicContact CG-CG2 3.9Å; F203-V227 HydrophobicContact CZ-CG2 4.37Å
204	D	98.1	Very high	96.9	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	15%	0.147	C	C	.	.	P	Polyproline II helix	trans	-86.7	125.2	165.8	-80.5	-76.7	0	0	0	109.2	G139 H175 T180 R181 W208 S211	G139-D204 PolarHBondContact O-N 2.83Å; G139-D204 VanDerWaalsContact O-N 3.09Å; H175-D204 IonicContact NE2-OD1 3.83Å; H175-D204 PolarHBondContact NE2-OD1 3.25Å; T180-D204 WeakPolarHBondContact CA-OD1 3.31Å; R181-D204 WeakPolarHBondContact CB-OD2 3.44Å; R181-D204 WeakPolarHBondContact CD-OD2 3.36Å; R181-D204 WeakPolarHBondContact CG-OD2 3.42Å; R181-D204 IonicContact CZ-OD2 3.94Å; R181-D204 VanDerWaalsContact N-CG 3.31Å; R181-D204 PolarHBondContact N-OD1 2.87Å; R181-D204 PolarHBondContact N-OD2 3.45Å; R181-D204 IonicContact NE-OD2 2.96Å; R181-D204 IonicContact NH1-OD2 2.69Å; R181-D204 PolarHBondContact NH1-OD2 2.87Å; D204-W208 HydrophobicContact CB-CB 3.91Å; D204-S211 WeakPolarHBondContact CB-OG 3.24Å; D204-S211 WeakPolarHBondContact O-CB 3.33Å; D204-S211 PolarHBondContact O-OG 3.43Å
205	Y	97.6	Very high	96.7	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	15%	0.153	C	C	.	.	P	Polyproline II helix	trans	-60	161	174.9	-38.7	-79.7	0	0	0	111.6	L174 H175 F203 G207 W208 S211 M220 G248 V251	L174-Y205 VanDerWaalsContact C-OH 3.25Å; L174-Y205 HydrophobicContact CD2-CE1 4.32Å; H175-Y205 AromaticContact CE1-CD2 3.55Å; H175-Y205 AromaticContact CE1-CE2 3.38Å; H175-Y205 WeakPolarHBondContact CE1-CE2 3.4Å; H175-Y205 PolarHBondContact N-OH 3.25Å; H175-Y205 VanDerWaalsContact N-OH 3.11Å; H175-Y205 AromaticContact ND1-CE2 3.62Å; H175-Y205 AromaticContact NE2-CD2 3.68Å; H175-Y205 AromaticContact NE2-CE2 3.68Å; H175-Y205 WeakPolarHBondContact O-CE2 3.35Å; H175-Y205 PolarHBondContact O-OH 3.45Å; F203-Y205 HydrophobicContact CD2-CD1 4.43Å; F203-Y205 AromaticContact CE2-CD1 3.49Å; F203-Y205 HydrophobicContact CE2-CD1 3.49Å; F203-Y205 VanDerWaalsContact CE2-CD1 3.49Å; F203-Y205 HydrophobicContact CE2-CE1 4.1Å; F203-Y205 HydrophobicContact CE2-CG 4.27Å; F203-Y205 AromaticContact CZ-CD1 3.73Å; F203-Y205 HydrophobicContact CZ-CD1 3.73Å; F203-Y205 AromaticContact CZ-CE1 3.9Å; F203-Y205 HydrophobicContact CZ-CE1 3.9Å; Y205-G207 PolarHBondContact O-N 3.19Å; Y205-G207 VanDerWaalsContact O-N 3.13Å; Y205-W208 HydrophobicContact CD2-CD2 4.14Å; Y205-W208 HydrophobicContact CD2-CE3 4.04Å; Y205-W208 HydrophobicContact CD2-CH2 4.38Å; Y205-W208 HydrophobicContact CD2-CZ2 4.5Å; Y205-W208 HydrophobicContact CD2-CZ3 4.14Å; Y205-W208 HydrophobicContact CG-CE3 4.38Å; Y205-W208 HydrophobicContact CG-CZ3 4.44Å; Y205-W208 PolarHBondContact O-N 3.32Å; Y205-S211 WeakPolarHBondContact O-CB 3.08Å; Y205-M220 HydrophobicContact CD1-CB 4.04Å; Y205-M220 HydrophobicContact CD1-CE 4.32Å; Y205-M220 HydrophobicContact CD1-CG 4.31Å; Y205-M220 HydrophobicContact CD2-CE 3.56Å; Y205-M220 HydrophobicContact CE2-CE 3.74Å; Y205-M220 HydrophobicContact CG-CB 4.29Å; Y205-M220 HydrophobicContact CG-CE 3.88Å; Y205-M220 HydrophobicContact CG-CG 4.04Å; Y205-G248 WeakPolarHBondContact OH-CA 3.39Å; Y205-V251 HydrophobicContact CE1-CB 4.2Å; Y205-V251 HydrophobicContact CE1-CG1 3.89Å; Y205-V251 HydrophobicContact CE1-CG2 3.89Å
206	R	97	Very high	96.5	Very high	16 Å²	16	21.8 Å²	21.8	6%	0.06	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-49.1	120.7	178.8	66.9	-177	69.7	-174.2	0.1	112.7	E133 V136 T214 G219 D223	E133-R206 IonicContact OE1-CZ 3.98Å; E133-R206 IonicContact OE1-NH1 3.08Å; E133-R206 PolarHBondContact OE1-NH1 2.91Å; E133-R206 IonicContact OE1-NH2 3.43Å; E133-R206 PolarHBondContact OE1-NH2 3.03Å; E133-R206 IonicContact OE2-NH1 2.79Å; V136-R206 HydrophobicContact CG1-CB 3.85Å; R206-T214 VanDerWaalsContact CD-O 3.28Å; R206-T214 WeakPolarHBondContact CD-O 3.44Å; R206-T214 WeakPolarHBondContact CG-O 3.24Å; R206-G219 PolarHBondContact NH2-O 3.49Å; R206-D223 WeakPolarHBondContact CB-OD2 3.43Å; R206-D223 WeakPolarHBondContact CG-OD2 3.46Å; R206-D223 IonicContact CZ-OD1 3.36Å; R206-D223 PolarHBondContact N-OD2 3.33Å; R206-D223 IonicContact NE-OD1 2.7Å; R206-D223 PolarHBondContact NE-OD1 3.22Å; R206-D223 IonicContact NE-OD2 2.63Å; R206-D223 PolarHBondContact NE-OD2 3.46Å; R206-D223 IonicContact NH2-OD1 3.14Å; R206-D223 PolarHBondContact NH2-OD1 2.82Å
207	G	94.6	Very high	96.4	Very high	15 Å²	15	20.4 Å²	20.4	16%	0.155	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	85.9	0.8	-177.5	0	0	0	0	0	116.6	N104 Y205 S211 G213	N104-G207 PolarHBondContact ND2-O 2.84Å; Y205-G207 PolarHBondContact O-N 3.19Å; Y205-G207 VanDerWaalsContact O-N 3.13Å; G207-S211 WeakPolarHBondContact CA-O 3.5Å; G207-S211 PolarHBondContact N-O 3.12Å; G207-G213 WeakPolarHBondContact CA-O 3.29Å
208	W	94.8	Very high	96.3	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	16%	0.164	C	C	.	.	S	Bend	trans	-94.1	164.6	162.1	-82.4	-104.1	0	0	0	110.9	F102 N104 H175 D204 Y205 D210 S211 P215 M220 L247	F102-W208 HydrophobicContact CB-CH2 3.65Å; F102-W208 HydrophobicContact CB-CZ2 3.74Å; F102-W208 AromaticContact CD1-CH2 3.66Å; F102-W208 HydrophobicContact CD1-CH2 3.66Å; F102-W208 HydrophobicContact CD1-CZ2 4.26Å; F102-W208 AromaticContact CG-CH2 3.82Å; F102-W208 HydrophobicContact CG-CH2 3.82Å; F102-W208 HydrophobicContact CG-CZ2 4.35Å; F102-W208 WeakPolarHBondContact O-CZ2 3.3Å; N104-W208 HydrophobicContact CB-CD2 3.59Å; N104-W208 HydrophobicContact CB-CE3 3.98Å; N104-W208 HydrophobicContact CB-CG 3.98Å; N104-W208 HydrophobicContact CB-CH2 4.46Å; N104-W208 HydrophobicContact CB-CZ2 4.1Å; N104-W208 HydrophobicContact CB-CZ3 4.41Å; H175-W208 AromaticContact CE1-CD1 3.69Å; H175-W208 AromaticContact CE1-NE1 3.94Å; D204-W208 HydrophobicContact CB-CB 3.91Å; Y205-W208 HydrophobicContact CD2-CD2 4.14Å; Y205-W208 HydrophobicContact CD2-CE3 4.04Å; Y205-W208 HydrophobicContact CD2-CH2 4.38Å; Y205-W208 HydrophobicContact CD2-CZ2 4.5Å; Y205-W208 HydrophobicContact CD2-CZ3 4.14Å; Y205-W208 HydrophobicContact CG-CE3 4.38Å; Y205-W208 HydrophobicContact CG-CZ3 4.44Å; Y205-W208 PolarHBondContact O-N 3.32Å; W208-D210 PolarHBondContact O-N 2.86Å; W208-S211 WeakPolarHBondContact O-CB 3.32Å; W208-S211 PolarHBondContact O-N 2.99Å; W208-P215 HydrophobicContact CE3-CB 4.24Å; W208-P215 HydrophobicContact CH2-CB 3.96Å; W208-P215 HydrophobicContact CZ3-CB 3.44Å; W208-P215 VanDerWaalsContact CZ3-CB 3.44Å; W208-M220 HydrophobicContact CH2-CE 3.4Å; W208-M220 VanDerWaalsContact CH2-CE 3.4Å; W208-M220 HydrophobicContact CH2-CG 4.46Å; W208-M220 HydrophobicContact CH2-SD 3.62Å; W208-M220 HydrophobicContact CZ2-CE 4.1Å; W208-M220 HydrophobicContact CZ3-CE 3.86Å; W208-M220 HydrophobicContact CZ3-CG 4.1Å; W208-M220 HydrophobicContact CZ3-SD 3.85Å; W208-L247 HydrophobicContact CZ2-CD2 4.15Å
209	G	94.3	Very high	96.2	Very high	2 Å²	2	29.2 Å²	29.2	2%	0.021	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	52	-124.4	173.5	0	0	0	0	0	112.9	R107	R107-G209 PolarHBondContact NE-O 2.53Å; R107-G209 PolarHBondContact NH2-O 3.28Å
210	D	95.3	Very high	96.1	Very high	47 Å²	47	29.2 Å²	29.2	25%	0.251	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103.7	7.4	171.3	62.4	-16.6	0	0	0	113.5	L114 Y129 R181 W208	L114-D210 HydrophobicContact CD1-CB 4.26Å; Y129-D210 VanDerWaalsContact CE1-OD2 3.32Å; Y129-D210 WeakPolarHBondContact CE1-OD2 3.04Å; Y129-D210 PolarHBondContact OH-OD2 3.49Å; R181-D210 IonicContact CZ-OD1 3.93Å; R181-D210 VanDerWaalsContact CZ-OD1 3.31Å; R181-D210 IonicContact NH1-OD1 3.25Å; R181-D210 PolarHBondContact NH1-OD1 2.78Å; R181-D210 IonicContact NH2-OD1 3.82Å; R181-D210 PolarHBondContact NH2-OD1 2.78Å; R181-D210 IonicContact NH2-OD2 2.69Å; R181-D210 PolarHBondContact NH2-OD2 3Å; W208-D210 PolarHBondContact O-N 2.86Å
211	S	97.4	Very high	96.1	Very high	8 Å²	8	29.8 Å²	29.8	6%	0.056	17%	0.167	C	C	.	.			trans	-74.7	133	178.3	-61.6	0	0	0	0	112.2	T137 V138 G139 D204 Y205 G207 W208	T137-S211 CarbonylContact O-C 3.41Å; T137-S211 VanDerWaalsContact O-CA 3.23Å; T137-S211 WeakPolarHBondContact O-CA 3.13Å; T137-S211 WeakPolarHBondContact O-CB 3.41Å; V138-S211 WeakPolarHBondContact CA-OG 3.29Å; G139-S211 PolarHBondContact N-OG 3.38Å; D204-S211 WeakPolarHBondContact CB-OG 3.24Å; D204-S211 WeakPolarHBondContact O-CB 3.33Å; D204-S211 PolarHBondContact O-OG 3.43Å; Y205-S211 WeakPolarHBondContact O-CB 3.08Å; G207-S211 WeakPolarHBondContact CA-O 3.5Å; G207-S211 PolarHBondContact N-O 3.12Å; W208-S211 WeakPolarHBondContact O-CB 3.32Å; W208-S211 PolarHBondContact O-N 2.99Å
212	V	97.1	Very high	96	Very high	80 Å²	80	34.9 Å²	34.9	49%	0.485	19%	0.187	S	C	.	.	B	Isolated β-bridge	trans	-86.7	141.3	-177.2	-178.1	0	0	0	0	110.8	T137	T137-V212 PolarHBondContact O-N 3.42Å
213	G	95.1	Very high	96	Very high	32 Å²	32	34.9 Å²	34.9	33%	0.33	19%	0.187	S	C	.	.	S	Bend	trans	127.3	-176.6	174.9	0	0	0	0	0	113.6	G207	G207-G213 WeakPolarHBondContact CA-O 3.29Å
214	T	92.9	Very high	96	Very high	116 Å²	116	34.8 Å²	34.8	71%	0.712	19%	0.187	S	C	*	.			trans	-110.7	131.3	179	-64.2	0	0	0	0	110.6	R206	R206-T214 VanDerWaalsContact CD-O 3.28Å; R206-T214 WeakPolarHBondContact CD-O 3.44Å; R206-T214 WeakPolarHBondContact CG-O 3.24Å
215	P	93	Very high	96	Very high	22 Å²	22	35.4 Å²	35.4	14%	0.143	19%	0.19	C	C	.	.			trans	-70.3	135.8	-175.4	30.3	-38.3	0	0	0	112.5	F102 W208	F102-P215 HydrophobicContact CB-CB 4.46Å; F102-P215 HydrophobicContact CD2-CB 3.72Å; F102-P215 HydrophobicContact CD2-CG 3.78Å; F102-P215 HydrophobicContact CE2-CB 4.07Å; F102-P215 HydrophobicContact CE2-CG 4.36Å; F102-P215 WeakPolarHBondContact CE2-O 3.35Å; F102-P215 HydrophobicContact CG-CB 4.07Å; F102-P215 HydrophobicContact CG-CG 4.38Å; W208-P215 HydrophobicContact CE3-CB 4.24Å; W208-P215 HydrophobicContact CH2-CB 3.96Å; W208-P215 HydrophobicContact CZ3-CB 3.44Å; W208-P215 VanDerWaalsContact CZ3-CB 3.44Å
216	S	93.4	Very high	96.1	Very high	47 Å²	47	38 Å²	38	33%	0.329	20%	0.202	S	C	.	.			trans	-157.7	152.5	169.8	62.3	0	0	0	0	109.1	R218 G219 M220	S216-R218 VanDerWaalsContact C-N 3.3Å; S216-R218 PolarHBondContact O-N 2.97Å; S216-G219 WeakPolarHBondContact O-CA 3.45Å; S216-G219 PolarHBondContact O-N 3.34Å; S216-G219 PolarHBondContact OG-N 3.29Å; S216-M220 VanDerWaalsContact O-CG 3.28Å; S216-M220 WeakPolarHBondContact O-CG 2.99Å; S216-M220 PolarHBondContact O-N 3.5Å
217	E	94.3	Very high	96.2	Very high	23 Å²	23	37.2 Å²	37.2	11%	0.107	20%	0.199	C	C	.	.	H	α-helix	trans	-56.9	-42.4	-180	172.1	168.8	175	0	0	112.6	G219 T221 N254 I310 K311 F312	E217-G219 PolarHBondContact O-N 2.86Å; E217-T221 WeakPolarHBondContact O-CB 3.46Å; E217-T221 PolarHBondContact O-N 3.34Å; E217-T221 PolarHBondContact O-OG1 3.12Å; E217-N254 WeakPolarHBondContact CG-ND2 3.31Å; E217-N254 PolarHBondContact OE1-ND2 2.83Å; E217-I310 WeakPolarHBondContact OE2-CA 3.2Å; E217-K311 PolarHBondContact OE2-N 3.29Å; E217-F312 HydrophobicContact CB-CD1 4.47Å; E217-F312 HydrophobicContact CB-CE1 3.88Å; E217-F312 HydrophobicContact CB-CE2 4.34Å; E217-F312 HydrophobicContact CB-CZ 3.82Å; E217-F312 VanDerWaalsContact CD-N 3.26Å; E217-F312 HydrophobicContact CG-CD1 3.78Å; E217-F312 HydrophobicContact CG-CE1 3.55Å; E217-F312 HydrophobicContact CG-CG 4.44Å; E217-F312 HydrophobicContact CG-CZ 4.02Å; E217-F312 VanDerWaalsContact OE1-CA 3.32Å; E217-F312 WeakPolarHBondContact OE1-CA 3.37Å; E217-F312 PolarHBondContact OE1-N 2.75Å; E217-F312 PolarHBondContact OE2-N 3.45Å
218	R	95.1	Very high	96.4	Very high	203 Å²	203	36.9 Å²	36.9	77%	0.766	19%	0.193	S	C	*	.	H	α-helix	trans	-61.7	-43.5	174.9	-168.5	-174.1	75.7	159.3	5.7	111.4	S216 T221 Y222	S216-R218 VanDerWaalsContact C-N 3.3Å; S216-R218 PolarHBondContact O-N 2.97Å; R218-T221 PolarHBondContact O-N 2.63Å; R218-Y222 WeakPolarHBondContact O-CB 3.24Å; R218-Y222 PolarHBondContact O-N 3.22Å
219	G	96.4	Very high	96.5	Very high	2 Å²	2	39.9 Å²	39.9	2%	0.021	21%	0.209	C	C	.	.	H	α-helix	trans	-64.1	-49.8	178.2	0	0	0	0	0	112.4	R206 S216 E217 T221 Y222 D223	R206-G219 PolarHBondContact NH2-O 3.49Å; S216-G219 WeakPolarHBondContact O-CA 3.45Å; S216-G219 PolarHBondContact O-N 3.34Å; S216-G219 PolarHBondContact OG-N 3.29Å; E217-G219 PolarHBondContact O-N 2.86Å; G219-T221 VanDerWaalsContact C-N 3.28Å; G219-T221 PolarHBondContact O-N 3.22Å; G219-Y222 CarbonylContact O-C 3.6Å; G219-Y222 PolarHBondContact O-N 2.82Å; G219-D223 PolarHBondContact O-N 3.36Å
220	M	97.2	Very high	96.7	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-60	-37.9	177.5	-62.4	164.7	76.6	0	0	112.1	F102 Y205 W208 S216 A224 L247 V251 F312	F102-M220 HydrophobicContact CD1-SD 4.04Å; F102-M220 HydrophobicContact CE1-SD 3.68Å; F102-M220 HydrophobicContact CZ-SD 4.4Å; Y205-M220 HydrophobicContact CD1-CB 4.04Å; Y205-M220 HydrophobicContact CD1-CE 4.32Å; Y205-M220 HydrophobicContact CD1-CG 4.31Å; Y205-M220 HydrophobicContact CD2-CE 3.56Å; Y205-M220 HydrophobicContact CE2-CE 3.74Å; Y205-M220 HydrophobicContact CG-CB 4.29Å; Y205-M220 HydrophobicContact CG-CE 3.88Å; Y205-M220 HydrophobicContact CG-CG 4.04Å; W208-M220 HydrophobicContact CH2-CE 3.4Å; W208-M220 VanDerWaalsContact CH2-CE 3.4Å; W208-M220 HydrophobicContact CH2-CG 4.46Å; W208-M220 HydrophobicContact CH2-SD 3.62Å; W208-M220 HydrophobicContact CZ2-CE 4.1Å; W208-M220 HydrophobicContact CZ3-CE 3.86Å; W208-M220 HydrophobicContact CZ3-CG 4.1Å; W208-M220 HydrophobicContact CZ3-SD 3.85Å; S216-M220 VanDerWaalsContact O-CG 3.28Å; S216-M220 WeakPolarHBondContact O-CG 2.99Å; S216-M220 PolarHBondContact O-N 3.5Å; M220-A224 WeakPolarHBondContact O-CB 3.34Å; M220-A224 PolarHBondContact O-N 3.19Å; M220-L247 HydrophobicContact CE-CD2 4.11Å; M220-L247 HydrophobicContact CE-CG 4.46Å; M220-V251 HydrophobicContact CB-CG1 4.39Å; M220-V251 HydrophobicContact CB-CG2 4.07Å; M220-V251 HydrophobicContact CE-CG2 3.79Å; M220-V251 WeakPolarHBondContact O-CG1 3.26Å; M220-F312 HydrophobicContact CE-CZ 4.28Å; M220-F312 HydrophobicContact SD-CZ 3.9Å
221	T	97.5	Very high	96.9	Very high	12 Å²	12	38.7 Å²	38.7	7%	0.074	20%	0.201	C	C	.	.	H	α-helix	trans	-65.9	-39.5	174.2	-55.4	0	0	0	0	111.7	E217 R218 G219 A224 L225 N254 R258	E217-T221 WeakPolarHBondContact O-CB 3.46Å; E217-T221 PolarHBondContact O-N 3.34Å; E217-T221 PolarHBondContact O-OG1 3.12Å; R218-T221 PolarHBondContact O-N 2.63Å; G219-T221 VanDerWaalsContact C-N 3.28Å; G219-T221 PolarHBondContact O-N 3.22Å; T221-A224 PolarHBondContact O-N 2.88Å; T221-L225 HydrophobicContact CG2-CD1 4.35Å; T221-L225 WeakPolarHBondContact O-CG 3.16Å; T221-L225 PolarHBondContact O-N 3.25Å; T221-N254 HydrophobicContact CG2-CB 3.75Å; T221-N254 WeakPolarHBondContact OG1-CB 3.42Å; T221-N254 PolarHBondContact OG1-ND2 3.23Å; T221-R258 HydrophobicContact CG2-CG 4.37Å
222	Y	97.9	Very high	96.9	Very high	106 Å²	106	41.9 Å²	41.9	42%	0.416	21%	0.214	S	C	.	.	H	α-helix	trans	-72.8	-38.5	178.5	-170.9	-95.2	0	0	0	112.4	P132 E133 R218 G219 A224 L225 H226	P132-Y222 HydrophobicContact CB-CD1 3.86Å; P132-Y222 HydrophobicContact CB-CE1 3.74Å; P132-Y222 WeakPolarHBondContact O-CE1 3.21Å; E133-Y222 HydrophobicContact CG-CD1 4.13Å; E133-Y222 HydrophobicContact CG-CE1 3.73Å; R218-Y222 WeakPolarHBondContact O-CB 3.24Å; R218-Y222 PolarHBondContact O-N 3.22Å; G219-Y222 CarbonylContact O-C 3.6Å; G219-Y222 PolarHBondContact O-N 2.82Å; Y222-A224 VanDerWaalsContact C-N 3.3Å; Y222-A224 PolarHBondContact O-N 3.11Å; Y222-L225 PolarHBondContact O-N 2.82Å; Y222-H226 WeakPolarHBondContact O-CB 3.41Å; Y222-H226 PolarHBondContact O-N 2.8Å
223	D	98.6	Very high	96.9	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-56.6	-47	170.3	-59.6	-22.9	0	0	0	110.3	V138 F203 R206 G219 H226 V227	V138-D223 HydrophobicContact CG1-CB 4.11Å; F203-D223 HydrophobicContact CE2-CB 3.59Å; F203-D223 HydrophobicContact CZ-CB 4.12Å; R206-D223 WeakPolarHBondContact CB-OD2 3.43Å; R206-D223 WeakPolarHBondContact CG-OD2 3.46Å; R206-D223 IonicContact CZ-OD1 3.36Å; R206-D223 PolarHBondContact N-OD2 3.33Å; R206-D223 IonicContact NE-OD1 2.7Å; R206-D223 PolarHBondContact NE-OD1 3.22Å; R206-D223 IonicContact NE-OD2 2.63Å; R206-D223 PolarHBondContact NE-OD2 3.46Å; R206-D223 IonicContact NH2-OD1 3.14Å; R206-D223 PolarHBondContact NH2-OD1 2.82Å; G219-D223 PolarHBondContact O-N 3.36Å; D223-H226 PolarHBondContact O-N 3.25Å; D223-V227 WeakPolarHBondContact O-CG2 3.39Å; D223-V227 PolarHBondContact O-N 3.38Å
224	A	98.7	Very high	97	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-66.1	-36.9	179.4	0	0	0	0	0	113.1	L174 F203 M220 T221 Y222 F228 V251 L255	L174-A224 HydrophobicContact CD2-CB 4.01Å; F203-A224 HydrophobicContact CE1-CB 4.33Å; F203-A224 HydrophobicContact CZ-CB 3.86Å; M220-A224 WeakPolarHBondContact O-CB 3.34Å; M220-A224 PolarHBondContact O-N 3.19Å; T221-A224 PolarHBondContact O-N 2.88Å; Y222-A224 VanDerWaalsContact C-N 3.3Å; Y222-A224 PolarHBondContact O-N 3.11Å; A224-F228 WeakPolarHBondContact O-CB 3.3Å; A224-F228 PolarHBondContact O-N 2.93Å; A224-V251 HydrophobicContact CB-CG1 3.68Å; A224-L255 HydrophobicContact CB-CB 4.4Å; A224-L255 HydrophobicContact CB-CD2 4.07Å
225	L	98.5	Very high	97.2	Very high	13 Å²	13	38.1 Å²	38.1	7%	0.068	19%	0.185	C	C	.	.	H	α-helix	trans	-63.6	-48.3	171.9	-81.1	163.1	0	0	0	111.5	T221 Y222 V227 F228 D229 L255 R258 L259	T221-L225 HydrophobicContact CG2-CD1 4.35Å; T221-L225 WeakPolarHBondContact O-CG 3.16Å; T221-L225 PolarHBondContact O-N 3.25Å; Y222-L225 PolarHBondContact O-N 2.82Å; L225-V227 VanDerWaalsContact C-N 3.34Å; L225-V227 PolarHBondContact O-N 3.42Å; L225-F228 PolarHBondContact O-N 3.45Å; L225-D229 WeakPolarHBondContact O-CB 3.19Å; L225-D229 PolarHBondContact O-N 3.42Å; L225-L255 HydrophobicContact CB-CD1 4.29Å; L225-L255 HydrophobicContact CD2-CD1 3.45Å; L225-L255 VanDerWaalsContact CD2-CD1 3.45Å; L225-L255 HydrophobicContact CG-CD1 3.65Å; L225-R258 HydrophobicContact CD1-CB 4.06Å; L225-R258 HydrophobicContact CD1-CG 4.13Å; L225-R258 HydrophobicContact CD2-CB 3.97Å; L225-R258 HydrophobicContact CG-CB 4.49Å; L225-L259 HydrophobicContact CD2-CD2 4.09Å; L225-L259 HydrophobicContact CD2-CG 4.41Å
226	H	98.7	Very high	97.2	Very high	54 Å²	54	39.3 Å²	39.3	25%	0.25	20%	0.2	C	C	.	.	H	α-helix	trans	-62.1	-40.7	179.7	-177.1	95.9	0	0	0	112.1	Q131 P132 Y222 D223 W230	Q131-H226 PolarHBondContact O-CE1 3.21Å; P132-H226 HydrophobicContact CB-CB 3.92Å; P132-H226 HydrophobicContact CG-CB 4.02Å; Y222-H226 WeakPolarHBondContact O-CB 3.41Å; Y222-H226 PolarHBondContact O-N 2.8Å; D223-H226 PolarHBondContact O-N 3.25Å; H226-W230 WeakPolarHBondContact O-CB 3.4Å; H226-W230 PolarHBondContact O-N 2.97Å
227	V	98.8	Very high	97.1	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-66.8	-41.8	174.7	175.4	0	0	0	0	111.3	L130 V138 V140 L172 V201 F203 D223 L225 W230 I231	L130-V227 HydrophobicContact CD1-CG2 4.25Å; V138-V227 HydrophobicContact CG2-CG2 4.21Å; V140-V227 HydrophobicContact CG2-CG2 4.23Å; L172-V227 HydrophobicContact CD1-CG1 3.72Å; L172-V227 HydrophobicContact CD2-CG1 4.5Å; V201-V227 HydrophobicContact CG1-CG1 4.13Å; F203-V227 HydrophobicContact CB-CG2 4.44Å; F203-V227 HydrophobicContact CD1-CB 4.04Å; F203-V227 HydrophobicContact CD1-CG1 3.89Å; F203-V227 HydrophobicContact CD1-CG2 3.73Å; F203-V227 HydrophobicContact CD2-CG2 4.27Å; F203-V227 HydrophobicContact CE1-CB 4.03Å; F203-V227 HydrophobicContact CE1-CG1 4.22Å; F203-V227 HydrophobicContact CE1-CG2 3.96Å; F203-V227 HydrophobicContact CG-CG2 3.9Å; F203-V227 HydrophobicContact CZ-CG2 4.37Å; D223-V227 WeakPolarHBondContact O-CG2 3.39Å; D223-V227 PolarHBondContact O-N 3.38Å; L225-V227 VanDerWaalsContact C-N 3.34Å; L225-V227 PolarHBondContact O-N 3.42Å; V227-W230 PolarHBondContact O-N 2.98Å; V227-I231 HydrophobicContact CG1-CD1 4.19Å; V227-I231 VanDerWaalsContact O-CG1 3.27Å; V227-I231 WeakPolarHBondContact O-CG1 3.46Å; V227-I231 PolarHBondContact O-N 2.87Å
228	F	98.7	Very high	97.2	Very high	8 Å²	8	44.7 Å²	44.7	4%	0.035	23%	0.227	C	C	.	.	H	α-helix	trans	-63	-45.1	175.2	-178.8	-89.5	0	0	0	112.3	L172 A224 L225 W230 I231 K232 V240 I242 L255 L259 P266	L172-F228 HydrophobicContact CD2-CB 3.92Å; L172-F228 HydrophobicContact CD2-CD2 4.22Å; A224-F228 WeakPolarHBondContact O-CB 3.3Å; A224-F228 PolarHBondContact O-N 2.93Å; L225-F228 PolarHBondContact O-N 3.45Å; F228-W230 VanDerWaalsContact C-N 3.32Å; F228-W230 PolarHBondContact O-N 3.49Å; F228-I231 WeakPolarHBondContact O-CB 3.24Å; F228-I231 PolarHBondContact O-N 2.92Å; F228-I231 VanDerWaalsContact O-N 3.16Å; F228-K232 HydrophobicContact CD1-CG 4.12Å; F228-K232 HydrophobicContact CE1-CG 3.54Å; F228-K232 HydrophobicContact CE2-CG 4.33Å; F228-K232 HydrophobicContact CZ-CD 4.18Å; F228-K232 HydrophobicContact CZ-CG 3.66Å; F228-K232 PolarHBondContact O-N 3.06Å; F228-V240 HydrophobicContact CD2-CG1 4.05Å; F228-V240 HydrophobicContact CE2-CB 4.12Å; F228-V240 HydrophobicContact CE2-CG1 3.72Å; F228-I242 HydrophobicContact CD2-CD1 3.89Å; F228-I242 HydrophobicContact CD2-CG1 4.28Å; F228-I242 HydrophobicContact CE2-CD1 3.95Å; F228-I242 HydrophobicContact CE2-CG1 4.41Å; F228-L255 HydrophobicContact CB-CD1 4.22Å; F228-L255 HydrophobicContact CB-CD2 4.37Å; F228-L259 HydrophobicContact CD1-CD1 3.79Å; F228-L259 HydrophobicContact CD1-CD2 3.58Å; F228-L259 HydrophobicContact CD1-CG 4.33Å; F228-L259 HydrophobicContact CD2-CD1 4.02Å; F228-L259 HydrophobicContact CE1-CD1 3.58Å; F228-L259 HydrophobicContact CE1-CD2 3.5Å; F228-L259 VanDerWaalsContact CE1-CD2 3.5Å; F228-L259 HydrophobicContact CE1-CG 4.19Å; F228-L259 HydrophobicContact CE2-CD1 3.82Å; F228-L259 HydrophobicContact CG-CD1 4Å; F228-L259 HydrophobicContact CG-CD2 4.46Å; F228-L259 HydrophobicContact CZ-CD1 3.59Å; F228-L259 HydrophobicContact CZ-CD2 4.33Å; F228-P266 HydrophobicContact CE2-CB 4.2Å; F228-P266 HydrophobicContact CZ-CB 4.41Å
229	D	98.4	Very high	97.2	Very high	62 Å²	62	36.6 Å²	36.6	33%	0.332	20%	0.2	S	C	.	.	H	α-helix	trans	-63.3	-38.3	177.9	-67.1	-23.5	0	0	0	110.6	L225 K232 A233 R262	L225-D229 WeakPolarHBondContact O-CB 3.19Å; L225-D229 PolarHBondContact O-N 3.42Å; D229-K232 PolarHBondContact O-N 3.04Å; D229-A233 WeakPolarHBondContact O-CB 3.41Å; D229-A233 PolarHBondContact O-N 2.72Å; D229-A233 VanDerWaalsContact O-N 3.08Å; D229-R262 IonicContact OD1-CZ 3.77Å; D229-R262 IonicContact OD1-NH1 3.7Å; D229-R262 PolarHBondContact OD1-NH1 3.03Å; D229-R262 IonicContact OD2-CZ 2.78Å; D229-R262 IonicContact OD2-NH1 2.73Å; D229-R262 PolarHBondContact OD2-NH1 2.97Å; D229-R262 IonicContact OD2-NH2 3.17Å; D229-R262 PolarHBondContact OD2-NH2 3.21Å; D229-R262 VanDerWaalsContact OD2-NH2 3.08Å
230	W	98.5	Very high	97.3	Very high	24 Å²	24	36.5 Å²	36.5	9%	0.091	20%	0.199	C	C	.	.	H	α-helix	trans	-63.7	-38.6	172.2	178.6	97.3	0	0	0	113.1	Y128 L130 E161 L164 H226 V227 F228 R234	Y128-W230 HydrophobicContact CD1-CZ2 4.02Å; Y128-W230 HydrophobicContact CE1-CH2 4.3Å; Y128-W230 AromaticContact CE1-CZ2 3.94Å; Y128-W230 HydrophobicContact CE1-CZ2 3.94Å; Y128-W230 HydrophobicContact CE2-CH2 4.37Å; Y128-W230 HydrophobicContact CG-CZ2 4.45Å; L130-W230 HydrophobicContact CD1-CB 3.89Å; L130-W230 HydrophobicContact CD1-CD2 3.79Å; L130-W230 HydrophobicContact CD1-CE3 4.37Å; L130-W230 HydrophobicContact CD1-CG 3.54Å; L130-W230 HydrophobicContact CD2-CD2 4.41Å; L130-W230 HydrophobicContact CD2-CG 4.25Å; E161-W230 HydrophobicContact CG-CH2 4.13Å; E161-W230 HydrophobicContact CG-CZ2 3.67Å; L164-W230 HydrophobicContact CD1-CH2 4.01Å; L164-W230 HydrophobicContact CD1-CZ3 3.76Å; H226-W230 WeakPolarHBondContact O-CB 3.4Å; H226-W230 PolarHBondContact O-N 2.97Å; V227-W230 PolarHBondContact O-N 2.98Å; F228-W230 VanDerWaalsContact C-N 3.32Å; F228-W230 PolarHBondContact O-N 3.49Å; W230-R234 PolarHBondContact O-NH1 3.25Å
231	I	98.4	Very high	97.4	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-67.3	-51	174.3	-65.8	166.6	0	0	0	110.4	I170 L172 V201 V227 F228 A233 R234 S235 V240	I170-I231 HydrophobicContact CD1-CG2 3.93Å; I170-I231 HydrophobicContact CG2-CG2 3.91Å; L172-I231 HydrophobicContact CB-CD1 4.04Å; L172-I231 HydrophobicContact CD1-CD1 4.09Å; L172-I231 HydrophobicContact CD2-CD1 4.25Å; L172-I231 HydrophobicContact CG-CD1 4.35Å; V201-I231 HydrophobicContact CB-CD1 3.75Å; V201-I231 HydrophobicContact CB-CG1 4.38Å; V201-I231 HydrophobicContact CG1-CD1 3.79Å; V201-I231 HydrophobicContact CG1-CG1 4.2Å; V201-I231 HydrophobicContact CG2-CD1 4.01Å; V201-I231 HydrophobicContact CG2-CG1 4.21Å; V227-I231 HydrophobicContact CG1-CD1 4.19Å; V227-I231 VanDerWaalsContact O-CG1 3.27Å; V227-I231 WeakPolarHBondContact O-CG1 3.46Å; V227-I231 PolarHBondContact O-N 2.87Å; F228-I231 WeakPolarHBondContact O-CB 3.24Å; F228-I231 PolarHBondContact O-N 2.92Å; F228-I231 VanDerWaalsContact O-N 3.16Å; I231-A233 VanDerWaalsContact C-N 3.25Å; I231-A233 PolarHBondContact O-N 2.89Å; I231-R234 CarbonylContact O-C 3.6Å; I231-R234 WeakPolarHBondContact O-CA 3.32Å; I231-R234 PolarHBondContact O-N 2.63Å; I231-S235 PolarHBondContact O-N 3.16Å; I231-V240 HydrophobicContact CG2-CG1 4.13Å; I231-V240 HydrophobicContact CG2-CG2 3.9Å
232	K	97.3	Very high	97.4	Very high	76 Å²	76	36.6 Å²	36.6	33%	0.33	20%	0.198	S	C	.	.	H	α-helix	trans	-65.5	-27.1	-176.6	-76.6	-54.3	-56.4	173	0	113.3	F228 D229 R234 S235 G236 N238 V240	F228-K232 HydrophobicContact CD1-CG 4.12Å; F228-K232 HydrophobicContact CE1-CG 3.54Å; F228-K232 HydrophobicContact CE2-CG 4.33Å; F228-K232 HydrophobicContact CZ-CD 4.18Å; F228-K232 HydrophobicContact CZ-CG 3.66Å; F228-K232 PolarHBondContact O-N 3.06Å; D229-K232 PolarHBondContact O-N 3.04Å; K232-R234 PolarHBondContact O-N 2.94Å; K232-S235 VanDerWaalsContact CE-OG 3.29Å; K232-S235 WeakPolarHBondContact CE-OG 3.09Å; K232-S235 PolarHBondContact NZ-OG 3.46Å; K232-S235 PolarHBondContact O-OG 2.69Å; K232-G236 PolarHBondContact NZ-O 3.19Å; K232-N238 PolarHBondContact NZ-O 3.43Å; K232-V240 HydrophobicContact CD-CB 4.08Å; K232-V240 HydrophobicContact CD-CG2 3.45Å; K232-V240 VanDerWaalsContact CD-CG2 3.45Å; K232-V240 HydrophobicContact CG-CG2 4.49Å
233	A	97.4	Very high	97.5	Very high	79 Å²	79	31.6 Å²	31.6	65%	0.653	18%	0.179	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.5	-14	169.5	0	0	0	0	0	114.1	D229 I231	D229-A233 WeakPolarHBondContact O-CB 3.41Å; D229-A233 PolarHBondContact O-N 2.72Å; D229-A233 VanDerWaalsContact O-N 3.08Å; I231-A233 VanDerWaalsContact C-N 3.25Å; I231-A233 PolarHBondContact O-N 2.89Å
234	R	97.5	Very high	97.5	Very high	70 Å²	70	31.6 Å²	31.6	26%	0.264	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-125.1	-15	-175.3	-66.4	167.5	176.1	69.5	4.8	114.4	E161 L164 A165 W230 I231 K232 G236	E161-R234 VanDerWaalsContact CD-NE 3.25Å; E161-R234 IonicContact OE1-NH2 2.69Å; E161-R234 IonicContact OE2-CZ 2.78Å; E161-R234 IonicContact OE2-NE 3.61Å; E161-R234 PolarHBondContact OE2-NE 2.98Å; E161-R234 IonicContact OE2-NH2 3.66Å; E161-R234 PolarHBondContact OE2-NH2 3.11Å; L164-R234 CarbonylContact C-O 3.59Å; L164-R234 VanDerWaalsContact C-O 3.31Å; L164-R234 HydrophobicContact CB-CB 3.94Å; L164-R234 HydrophobicContact CD1-CB 3.78Å; A165-R234 WeakPolarHBondContact CA-O 3.31Å; A165-R234 WeakPolarHBondContact CB-O 3.41Å; A165-R234 PolarHBondContact N-O 3Å; A165-R234 VanDerWaalsContact N-O 3.15Å; W230-R234 PolarHBondContact O-NH1 3.25Å; I231-R234 CarbonylContact O-C 3.6Å; I231-R234 WeakPolarHBondContact O-CA 3.32Å; I231-R234 PolarHBondContact O-N 2.63Å; K232-R234 PolarHBondContact O-N 2.94Å; R234-G236 PolarHBondContact O-N 2.93Å
235	S	96.2	Very high	97.5	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	18%	0.18	C	C	.	.			trans	-67.4	-20.4	-176	64.6	0	0	0	0	113.7	L164 I231 K232 D237 N238	L164-S235 WeakPolarHBondContact O-CA 3.45Å; I231-S235 PolarHBondContact O-N 3.16Å; K232-S235 VanDerWaalsContact CE-OG 3.29Å; K232-S235 WeakPolarHBondContact CE-OG 3.09Å; K232-S235 PolarHBondContact NZ-OG 3.46Å; K232-S235 PolarHBondContact O-OG 2.69Å; S235-D237 PolarHBondContact O-N 3.04Å; S235-N238 VanDerWaalsContact O-CB 3.29Å; S235-N238 WeakPolarHBondContact O-CB 3.49Å; S235-N238 PolarHBondContact O-N 3.08Å; S235-N238 VanDerWaalsContact O-N 3.1Å; S235-N238 PolarHBondContact O-ND2 3.38Å
236	G	93.8	Very high	97.4	Very high	46 Å²	46	31.6 Å²	31.6	47%	0.474	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.3	-138.9	-155.2	0	0	0	0	0	109.9	K232 R234 N238	K232-G236 PolarHBondContact NZ-O 3.19Å; R234-G236 PolarHBondContact O-N 2.93Å; G236-N238 PolarHBondContact O-N 3.4Å
237	D	92.2	Very high	97.2	Very high	170 Å²	170	29.3 Å²	29.3	91%	0.909	17%	0.169	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.5	5.9	177.6	-55.6	-47.8	0	0	0	114.1	S235	S235-D237 PolarHBondContact O-N 3.04Å
238	N	95.1	Very high	97.2	Very high	14 Å²	14	29.3 Å²	29.3	8%	0.075	17%	0.169	C	C	.	.			trans	-62.8	137.7	176	-73.4	-70.8	0	0	0	111.3	L164 S166 S167 H168 I170 K232 S235 G236	L164-N238 PolarHBondContact O-ND2 3.34Å; L164-N238 VanDerWaalsContact O-ND2 3.12Å; S166-N238 PolarHBondContact N-ND2 2.79Å; S166-N238 PolarHBondContact O-ND2 3.13Å; S166-N238 PolarHBondContact O-OD1 3.01Å; S167-N238 WeakPolarHBondContact CA-OD1 3.35Å; H168-N238 PolarHBondContact N-OD1 2.99Å; H168-N238 PolarHBondContact O-OD1 3.2Å; I170-N238 HydrophobicContact CD1-CB 4.18Å; K232-N238 PolarHBondContact NZ-O 3.43Å; S235-N238 VanDerWaalsContact O-CB 3.29Å; S235-N238 WeakPolarHBondContact O-CB 3.49Å; S235-N238 PolarHBondContact O-N 3.08Å; S235-N238 VanDerWaalsContact O-N 3.1Å; S235-N238 PolarHBondContact O-ND2 3.38Å; G236-N238 PolarHBondContact O-N 3.4Å
239	P	96.1	Very high	97.2	Very high	32 Å²	32	28.9 Å²	28.9	21%	0.208	17%	0.167	C	C	.	.			trans	-70.3	139.9	174.9	29.2	-33.8	0	0	0	110.5	A169 I170 Y241 D267	A169-P239 HydrophobicContact CB-CG 3.7Å; I170-P239 PolarHBondContact N-O 3.27Å; P239-Y241 HydrophobicContact CB-CE1 3.91Å; P239-Y241 HydrophobicContact CG-CE1 4.45Å; P239-D267 VanDerWaalsContact CA-OD2 3.27Å; P239-D267 WeakPolarHBondContact CA-OD2 3.38Å; P239-D267 HydrophobicContact CB-CB 3.63Å; P239-D267 WeakPolarHBondContact CB-OD1 3.33Å
240	V	98	Very high	97.2	Very high	0 Å²	0	26 Å²	26	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	108	179.8	-175.8	0	0	0	0	109.4	I170 F228 I231 K232 D267	I170-V240 HydrophobicContact CB-CG2 4.25Å; I170-V240 HydrophobicContact CD1-CG2 4.08Å; I170-V240 WeakPolarHBondContact O-CA 3.45Å; F228-V240 HydrophobicContact CD2-CG1 4.05Å; F228-V240 HydrophobicContact CE2-CB 4.12Å; F228-V240 HydrophobicContact CE2-CG1 3.72Å; I231-V240 HydrophobicContact CG2-CG1 4.13Å; I231-V240 HydrophobicContact CG2-CG2 3.9Å; K232-V240 HydrophobicContact CD-CB 4.08Å; K232-V240 HydrophobicContact CD-CG2 3.45Å; K232-V240 VanDerWaalsContact CD-CG2 3.45Å; K232-V240 HydrophobicContact CG-CG2 4.49Å; V240-D267 PolarHBondContact N-OD2 3.46Å; V240-D267 PolarHBondContact O-N 2.98Å
241	Y	98.6	Very high	97.1	Very high	15 Å²	15	24.8 Å²	24.8	6%	0.059	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	142.9	176.2	-45.6	-52.7	0	0	0	110.1	A169 I170 I171 L172 Y198 P239 D267 A268 L389	A169-Y241 HydrophobicContact CB-CD2 4.39Å; A169-Y241 HydrophobicContact CB-CE2 3.61Å; I170-Y241 PolarHBondContact O-N 3.37Å; I171-Y241 CarbonylContact C-O 3.57Å; I171-Y241 WeakPolarHBondContact CA-O 3.38Å; I171-Y241 HydrophobicContact CG1-CD2 4.15Å; L172-Y241 PolarHBondContact N-O 2.89Å; Y198-Y241 HydrophobicContact CD1-CE2 4.46Å; Y198-Y241 HydrophobicContact CE1-CD2 4.37Å; Y198-Y241 AromaticContact CE1-CE2 3.94Å; Y198-Y241 HydrophobicContact CE1-CE2 3.94Å; P239-Y241 HydrophobicContact CB-CE1 3.91Å; P239-Y241 HydrophobicContact CG-CE1 4.45Å; Y241-D267 HydrophobicContact CD1-CB 3.78Å; Y241-D267 HydrophobicContact CE1-CB 3.63Å; Y241-A268 WeakPolarHBondContact CA-O 3.46Å; Y241-A268 HydrophobicContact CD1-CB 3.54Å; Y241-A268 HydrophobicContact CE1-CB 4.16Å; Y241-A268 HydrophobicContact CG-CB 4.3Å; Y241-L389 HydrophobicContact CD1-CD2 3.83Å; Y241-L389 HydrophobicContact CD2-CD1 3.85Å; Y241-L389 HydrophobicContact CD2-CD2 4.16Å; Y241-L389 HydrophobicContact CE1-CD2 3.83Å; Y241-L389 HydrophobicContact CE2-CB 4.34Å; Y241-L389 HydrophobicContact CE2-CD1 3.78Å; Y241-L389 HydrophobicContact CE2-CD2 4.16Å; Y241-L389 HydrophobicContact CE2-CG 4.31Å; Y241-L389 HydrophobicContact CG-CD1 4.45Å; Y241-L389 HydrophobicContact CG-CD2 3.98Å
242	I	98.9	Very high	97.2	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	128.6	175.9	-70.1	160.3	0	0	0	109.1	L172 L174 F228 A252 L255 V256 L259 P266 A268 L269 I270	L172-I242 HydrophobicContact CB-CG1 4.31Å; L172-I242 HydrophobicContact CD2-CG1 4.43Å; L174-I242 HydrophobicContact CD1-CG2 3.79Å; F228-I242 HydrophobicContact CD2-CD1 3.89Å; F228-I242 HydrophobicContact CD2-CG1 4.28Å; F228-I242 HydrophobicContact CE2-CD1 3.95Å; F228-I242 HydrophobicContact CE2-CG1 4.41Å; I242-A252 HydrophobicContact CG2-CB 3.86Å; I242-L255 HydrophobicContact CD1-CD2 3.48Å; I242-L255 VanDerWaalsContact CD1-CD2 3.48Å; I242-L255 HydrophobicContact CD1-CG 3.88Å; I242-L255 HydrophobicContact CG1-CD2 4.08Å; I242-L255 HydrophobicContact CG2-CD2 4.32Å; I242-V256 HydrophobicContact CB-CG2 4.39Å; I242-V256 HydrophobicContact CD1-CG2 3.65Å; I242-V256 HydrophobicContact CG2-CG2 4.42Å; I242-L259 HydrophobicContact CD1-CD1 3.89Å; I242-P266 HydrophobicContact CD1-CB 3.87Å; I242-P266 HydrophobicContact CD1-CG 4.03Å; I242-P266 HydrophobicContact CG1-CB 4.49Å; I242-A268 PolarHBondContact N-O 2.79Å; I242-L269 HydrophobicContact CB-CD1 4.2Å; I242-L269 HydrophobicContact CG2-CD1 3.91Å; I242-L269 CarbonylContact O-C 3.56Å; I242-I270 PolarHBondContact O-N 2.81Å
243	W	98.9	Very high	97.2	Very high	1 Å²	1	21.2 Å²	21.2	0%	0.004	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	109.3	177.4	-171.6	-54.3	0	0	0	110	I171 L172 Y173 L174 L189 L193 I270 E272 L328 L381 L385	I171-W243 HydrophobicContact CG2-CB 3.83Å; I171-W243 HydrophobicContact CG2-CE3 4.47Å; L172-W243 PolarHBondContact O-N 2.69Å; Y173-W243 CarbonylContact C-O 3.58Å; Y173-W243 WeakPolarHBondContact CA-O 3.47Å; Y173-W243 HydrophobicContact CD2-CB 4.11Å; Y173-W243 AromaticContact CD2-CD1 3.47Å; Y173-W243 VanDerWaalsContact CD2-CD1 3.47Å; Y173-W243 AromaticContact CD2-CG 3.83Å; Y173-W243 HydrophobicContact CD2-CG 3.83Å; Y173-W243 AromaticContact CE2-CD1 3.52Å; Y173-W243 HydrophobicContact CE2-CG 4.3Å; Y173-W243 AromaticContact CE2-NE1 3.79Å; L174-W243 PolarHBondContact N-O 3.21Å; L189-W243 HydrophobicContact CD1-CH2 4.12Å; L189-W243 HydrophobicContact CD1-CZ2 4.03Å; L189-W243 HydrophobicContact CD2-CZ2 4.22Å; L193-W243 HydrophobicContact CD1-CE3 4.24Å; L193-W243 HydrophobicContact CD1-CZ3 4.32Å; L193-W243 HydrophobicContact CD2-CE3 4.41Å; L193-W243 HydrophobicContact CD2-CH2 4.34Å; L193-W243 HydrophobicContact CD2-CZ3 3.78Å; W243-I270 CarbonylContact C-O 3.55Å; W243-I270 WeakPolarHBondContact CA-O 3.24Å; W243-I270 HydrophobicContact CB-CB 4.39Å; W243-I270 HydrophobicContact CD2-CB 4.17Å; W243-I270 HydrophobicContact CD2-CD1 4.42Å; W243-I270 HydrophobicContact CD2-CG2 3.76Å; W243-I270 HydrophobicContact CE3-CB 4.17Å; W243-I270 HydrophobicContact CE3-CD1 3.58Å; W243-I270 HydrophobicContact CE3-CG1 4.47Å; W243-I270 HydrophobicContact CE3-CG2 3.83Å; W243-I270 HydrophobicContact CG-CB 4.28Å; W243-I270 HydrophobicContact CG-CG2 4.22Å; W243-I270 HydrophobicContact CH2-CG2 4.47Å; W243-I270 HydrophobicContact CZ2-CG2 4.42Å; W243-I270 HydrophobicContact CZ3-CD1 3.97Å; W243-I270 HydrophobicContact CZ3-CG2 4.19Å; W243-E272 PolarHBondContact NE1-OE2 2.82Å; W243-L328 HydrophobicContact CH2-CD1 4.1Å; W243-L328 HydrophobicContact CZ2-CD1 4.01Å; W243-L381 HydrophobicContact CH2-CD1 4.15Å; W243-L381 HydrophobicContact CH2-CD2 4.2Å; W243-L385 HydrophobicContact CH2-CD1 4.25Å; W243-L385 HydrophobicContact CH2-CD2 4.27Å; W243-L385 HydrophobicContact CZ3-CD1 3.89Å; W243-L385 HydrophobicContact CZ3-CD2 3.71Å; W243-L385 HydrophobicContact CZ3-CG 4.43Å
244	G	98.7	Very high	97.3	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	132	170.7	0	0	0	0	0	111.5	T249 I270 E272	G244-T249 VanDerWaalsContact O-CG2 3.25Å; G244-T249 WeakPolarHBondContact O-CG2 3.28Å; G244-I270 PolarHBondContact N-O 2.84Å; G244-E272 PolarHBondContact O-N 3.28Å
245	H	98.4	Very high	97.3	Very high	4 Å²	4	15.1 Å²	15.1	2%	0.019	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	133.1	169.1	173.2	-114.7	0	0	0	110.8	Y173 L174 G176 L247 G248 E272 H372	Y173-H245 HydrophobicContact CE2-CB 3.97Å; Y173-H245 WeakPolarHBondContact OH-CB 3.34Å; L174-H245 PolarHBondContact O-N 2.84Å; G176-H245 WeakPolarHBondContact CA-O 3.4Å; G176-H245 PolarHBondContact N-O 2.99Å; H245-L247 PolarHBondContact O-N 3.29Å; H245-G248 VanDerWaalsContact O-CA 3.31Å; H245-G248 WeakPolarHBondContact O-CA 3.23Å; H245-G248 PolarHBondContact O-N 2.86Å; H245-E272 WeakPolarHBondContact CA-O 3.47Å; H245-E272 HydrophobicContact CB-CB 4.39Å; H245-E272 VanDerWaalsContact CD2-CD 3.48Å; H245-E272 IonicContact CD2-OE1 2.85Å; H245-E272 IonicContact CD2-OE2 3.15Å; H245-E272 IonicContact CG-OE2 2.76Å; H245-H372 PolarHBondContact NE2-O 3.25Å
246	S	96.5	Very high	97.4	Very high	9 Å²	9	15.1 Å²	15.1	6%	0.063	9%	0.093	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.5	-125.5	172.7	-178.7	0	0	0	0	111.1	G248 T249 E272 F275 H372	S246-G248 PolarHBondContact O-N 2.94Å; S246-G248 VanDerWaalsContact O-N 3.12Å; S246-T249 VanDerWaalsContact O-CB 3.3Å; S246-T249 WeakPolarHBondContact O-CB 3.43Å; S246-T249 WeakPolarHBondContact O-CG2 3.33Å; S246-T249 PolarHBondContact O-N 2.91Å; S246-T249 PolarHBondContact O-OG1 3.46Å; S246-E272 PolarHBondContact N-O 2.85Å; S246-F275 WeakPolarHBondContact O-CE1 3.35Å; S246-H372 WeakPolarHBondContact CB-NE2 3.26Å; S246-H372 PolarHBondContact OG-CE1 3.45Å; S246-H372 PolarHBondContact OG-NE2 3.14Å
247	L	96	Very high	97.6	Very high	5 Å²	5	16 Å²	16	3%	0.026	8%	0.082	C	C	.	.	H	α-helix	trans	-47.7	-36.5	171.8	-174.5	64.6	0	0	0	113.7	F102 N177 W208 M220 H245 T249 G250 I278 F312	F102-L247 HydrophobicContact CD1-CD2 4.44Å; N177-L247 HydrophobicContact CB-CB 3.98Å; N177-L247 HydrophobicContact CB-CD2 4.1Å; W208-L247 HydrophobicContact CZ2-CD2 4.15Å; M220-L247 HydrophobicContact CE-CD2 4.11Å; M220-L247 HydrophobicContact CE-CG 4.46Å; H245-L247 PolarHBondContact O-N 3.29Å; L247-T249 PolarHBondContact O-N 3.32Å; L247-G250 WeakPolarHBondContact O-CA 3.41Å; L247-G250 PolarHBondContact O-N 3.15Å; L247-I278 HydrophobicContact CD1-CD1 4.43Å; L247-F312 HydrophobicContact CD1-CD2 3.89Å; L247-F312 HydrophobicContact CD1-CE2 3.61Å; L247-F312 HydrophobicContact CD1-CZ 4.08Å
248	G	97.8	Very high	97.9	Very high	0 Å²	0	14 Å²	14	0%	0	6%	0.062	C	C	.	.	H	α-helix	trans	-64.5	-18.3	176.6	0	0	0	0	0	114.2	H175 Y205 H245 S246 G250 V251 A252	H175-G248 WeakPolarHBondContact O-CA 3.44Å; H175-G248 PolarHBondContact O-N 2.99Å; Y205-G248 WeakPolarHBondContact OH-CA 3.39Å; H245-G248 VanDerWaalsContact O-CA 3.31Å; H245-G248 WeakPolarHBondContact O-CA 3.23Å; H245-G248 PolarHBondContact O-N 2.86Å; S246-G248 PolarHBondContact O-N 2.94Å; S246-G248 VanDerWaalsContact O-N 3.12Å; G248-G250 VanDerWaalsContact C-N 3.31Å; G248-V251 PolarHBondContact O-N 2.8Å; G248-A252 VanDerWaalsContact O-CB 3.24Å; G248-A252 WeakPolarHBondContact O-CB 3.48Å; G248-A252 PolarHBondContact O-N 3.15Å
249	T	98.4	Very high	98	Very high	0 Å²	0	13.4 Å²	13.4	0%	0	6%	0.058	C	C	.	.	H	α-helix	trans	-63.7	-38.6	168.4	64.2	0	0	0	0	111.4	G244 S246 L247 A252 T253 L271 P274 N314	G244-T249 VanDerWaalsContact O-CG2 3.25Å; G244-T249 WeakPolarHBondContact O-CG2 3.28Å; S246-T249 VanDerWaalsContact O-CB 3.3Å; S246-T249 WeakPolarHBondContact O-CB 3.43Å; S246-T249 WeakPolarHBondContact O-CG2 3.33Å; S246-T249 PolarHBondContact O-N 2.91Å; S246-T249 PolarHBondContact O-OG1 3.46Å; L247-T249 PolarHBondContact O-N 3.32Å; T249-A252 PolarHBondContact O-N 3.45Å; T249-T253 PolarHBondContact O-N 3.25Å; T249-L271 HydrophobicContact CG2-CB 4.05Å; T249-L271 HydrophobicContact CG2-CD2 4.06Å; T249-P274 HydrophobicContact CG2-CB 3.85Å; T249-N314 PolarHBondContact O-OD1 3.01Å; T249-N314 PolarHBondContact OG1-ND2 3.14Å
250	G	97.8	Very high	98	Very high	0 Å²	0	12.9 Å²	12.9	0%	0	6%	0.055	C	C	.	.	H	α-helix	trans	-58.3	-46	171.9	0	0	0	0	0	112.8	L247 G248 N254 N314	L247-G250 WeakPolarHBondContact O-CA 3.41Å; L247-G250 PolarHBondContact O-N 3.15Å; G248-G250 VanDerWaalsContact C-N 3.31Å; G250-N254 WeakPolarHBondContact O-CB 3.45Å; G250-N254 PolarHBondContact O-N 3.29Å; G250-N314 VanDerWaalsContact CA-OD1 3.24Å; G250-N314 WeakPolarHBondContact CA-OD1 3.3Å; G250-N314 PolarHBondContact N-OD1 3.45Å
251	V	98.3	Very high	97.9	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-68.1	-38.5	175.9	-169.5	0	0	0	0	111	L174 Y205 M220 A224 G248 N254 L255 F312	L174-V251 HydrophobicContact CD1-CB 4.4Å; L174-V251 HydrophobicContact CD1-CG1 4.28Å; Y205-V251 HydrophobicContact CE1-CB 4.2Å; Y205-V251 HydrophobicContact CE1-CG1 3.89Å; Y205-V251 HydrophobicContact CE1-CG2 3.89Å; M220-V251 HydrophobicContact CB-CG1 4.39Å; M220-V251 HydrophobicContact CB-CG2 4.07Å; M220-V251 HydrophobicContact CE-CG2 3.79Å; M220-V251 WeakPolarHBondContact O-CG1 3.26Å; A224-V251 HydrophobicContact CB-CG1 3.68Å; G248-V251 PolarHBondContact O-N 2.8Å; V251-N254 PolarHBondContact O-N 3.07Å; V251-L255 VanDerWaalsContact O-CB 3.32Å; V251-L255 WeakPolarHBondContact O-CB 3.46Å; V251-L255 PolarHBondContact O-N 3.12Å; V251-F312 HydrophobicContact CG2-CE1 4.01Å
252	A	98.8	Very high	97.8	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-64.7	-50	-179.9	0	0	0	0	0	112.3	L174 I242 G248 T249 N254 L255 V256 L269 L271	L174-A252 HydrophobicContact CD1-CB 3.78Å; I242-A252 HydrophobicContact CG2-CB 3.86Å; G248-A252 VanDerWaalsContact O-CB 3.24Å; G248-A252 WeakPolarHBondContact O-CB 3.48Å; G248-A252 PolarHBondContact O-N 3.15Å; T249-A252 PolarHBondContact O-N 3.45Å; A252-N254 VanDerWaalsContact C-N 3.32Å; A252-N254 PolarHBondContact O-N 3.49Å; A252-L255 PolarHBondContact O-N 3.02Å; A252-V256 VanDerWaalsContact O-CG2 3.32Å; A252-V256 WeakPolarHBondContact O-CG2 3.46Å; A252-V256 PolarHBondContact O-N 3.42Å; A252-L269 HydrophobicContact CB-CD1 3.85Å; A252-L271 HydrophobicContact CB-CD2 4.02Å
253	T	98.5	Very high	97.6	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-67.2	-34.8	178.5	69.1	0	0	0	0	111.9	T249 R257 L269 L271 N314 N317 V318 I321	T249-T253 PolarHBondContact O-N 3.25Å; T253-R257 WeakPolarHBondContact O-CB 3.35Å; T253-R257 PolarHBondContact O-N 2.63Å; T253-L269 HydrophobicContact CG2-CD2 4.36Å; T253-L271 HydrophobicContact CG2-CD1 3.96Å; T253-L271 HydrophobicContact CG2-CD2 4.2Å; T253-N314 WeakPolarHBondContact CB-OD1 3.45Å; T253-N314 HydrophobicContact CG2-CB 4.05Å; T253-N314 WeakPolarHBondContact CG2-OD1 3.09Å; T253-N314 PolarHBondContact OG1-OD1 2.77Å; T253-N317 PolarHBondContact OG1-ND2 2.85Å; T253-V318 HydrophobicContact CG2-CG1 4.32Å; T253-I321 HydrophobicContact CG2-CD1 4.3Å
254	N	98.3	Very high	97.4	Very high	21 Å²	21	33.9 Å²	33.9	11%	0.112	16%	0.155	C	C	.	.	H	α-helix	trans	-60.8	-49.8	171.4	-82.3	-9.9	0	0	0	111.2	E217 T221 G250 V251 A252 R257 R258 N317	E217-N254 WeakPolarHBondContact CG-ND2 3.31Å; E217-N254 PolarHBondContact OE1-ND2 2.83Å; T221-N254 HydrophobicContact CG2-CB 3.75Å; T221-N254 WeakPolarHBondContact OG1-CB 3.42Å; T221-N254 PolarHBondContact OG1-ND2 3.23Å; G250-N254 WeakPolarHBondContact O-CB 3.45Å; G250-N254 PolarHBondContact O-N 3.29Å; V251-N254 PolarHBondContact O-N 3.07Å; A252-N254 VanDerWaalsContact C-N 3.32Å; A252-N254 PolarHBondContact O-N 3.49Å; N254-R257 PolarHBondContact O-N 3Å; N254-R258 WeakPolarHBondContact O-CG 3.29Å; N254-R258 PolarHBondContact O-N 2.78Å; N254-N317 PolarHBondContact N-ND2 2.9Å; N254-N317 PolarHBondContact OD1-ND2 2.69Å
255	L	98.6	Very high	97.3	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-56.2	-55.8	175.9	169.1	59.4	0	0	0	110.9	L172 L174 A224 L225 F228 I242 V251 A252 R257 R258 L259	L172-L255 HydrophobicContact CD2-CD2 3.98Å; L174-L255 HydrophobicContact CD1-CD2 4.12Å; A224-L255 HydrophobicContact CB-CB 4.4Å; A224-L255 HydrophobicContact CB-CD2 4.07Å; L225-L255 HydrophobicContact CB-CD1 4.29Å; L225-L255 HydrophobicContact CD2-CD1 3.45Å; L225-L255 VanDerWaalsContact CD2-CD1 3.45Å; L225-L255 HydrophobicContact CG-CD1 3.65Å; F228-L255 HydrophobicContact CB-CD1 4.22Å; F228-L255 HydrophobicContact CB-CD2 4.37Å; I242-L255 HydrophobicContact CD1-CD2 3.48Å; I242-L255 VanDerWaalsContact CD1-CD2 3.48Å; I242-L255 HydrophobicContact CD1-CG 3.88Å; I242-L255 HydrophobicContact CG1-CD2 4.08Å; I242-L255 HydrophobicContact CG2-CD2 4.32Å; V251-L255 VanDerWaalsContact O-CB 3.32Å; V251-L255 WeakPolarHBondContact O-CB 3.46Å; V251-L255 PolarHBondContact O-N 3.12Å; A252-L255 PolarHBondContact O-N 3.02Å; L255-R257 VanDerWaalsContact C-N 3.3Å; L255-R257 PolarHBondContact O-N 2.91Å; L255-R258 WeakPolarHBondContact O-CB 3.45Å; L255-R258 PolarHBondContact O-N 2.9Å; L255-L259 HydrophobicContact CD1-CD1 3.86Å; L255-L259 HydrophobicContact CD1-CD2 4.49Å; L255-L259 HydrophobicContact CD1-CG 3.98Å; L255-L259 HydrophobicContact CG-CD1 4Å; L255-L259 HydrophobicContact CG-CG 4.48Å; L255-L259 WeakPolarHBondContact O-CG 3.37Å; L255-L259 PolarHBondContact O-N 2.87Å
256	V	98.4	Very high	97.2	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-63.5	-36	-177	-179.3	0	0	0	0	111.8	I242 A252 R258 L259 C260 P266 L269 I321	I242-V256 HydrophobicContact CB-CG2 4.39Å; I242-V256 HydrophobicContact CD1-CG2 3.65Å; I242-V256 HydrophobicContact CG2-CG2 4.42Å; A252-V256 VanDerWaalsContact O-CG2 3.32Å; A252-V256 WeakPolarHBondContact O-CG2 3.46Å; A252-V256 PolarHBondContact O-N 3.42Å; V256-R258 VanDerWaalsContact C-N 3.35Å; V256-R258 PolarHBondContact O-N 3.23Å; V256-L259 PolarHBondContact O-N 3.34Å; V256-C260 PolarHBondContact O-N 3.27Å; V256-C260 PolarHBondContact O-SG 3.41Å; V256-P266 HydrophobicContact CB-CG 4.41Å; V256-P266 HydrophobicContact CG1-CG 3.79Å; V256-P266 HydrophobicContact CG2-CG 3.82Å; V256-L269 HydrophobicContact CB-CD2 4.24Å; V256-L269 HydrophobicContact CG1-CD2 4.41Å; V256-L269 HydrophobicContact CG2-CB 4.41Å; V256-L269 HydrophobicContact CG2-CD1 3.92Å; V256-L269 HydrophobicContact CG2-CD2 4.06Å; V256-L269 HydrophobicContact CG2-CG 4.36Å; V256-I321 HydrophobicContact CB-CD1 4.07Å; V256-I321 HydrophobicContact CB-CG1 4.29Å; V256-I321 HydrophobicContact CG1-CB 4.3Å; V256-I321 HydrophobicContact CG1-CD1 4.05Å; V256-I321 HydrophobicContact CG1-CG1 3.87Å; V256-I321 HydrophobicContact CG1-CG2 3.58Å
257	R	97.6	Very high	97.2	Very high	66 Å²	66	39.8 Å²	39.8	25%	0.249	19%	0.189	C	C	.	.	H	α-helix	trans	-60	-44.2	172	173.7	58.5	-162.3	155.3	4.5	111.6	T253 N254 L255 L259 C260 E261 N317 H320	T253-R257 WeakPolarHBondContact O-CB 3.35Å; T253-R257 PolarHBondContact O-N 2.63Å; N254-R257 PolarHBondContact O-N 3Å; L255-R257 VanDerWaalsContact C-N 3.3Å; L255-R257 PolarHBondContact O-N 2.91Å; R257-L259 VanDerWaalsContact C-N 3.35Å; R257-C260 PolarHBondContact O-N 2.85Å; R257-E261 IonicContact CZ-OE1 2.7Å; R257-E261 IonicContact NE-OE1 2.75Å; R257-E261 PolarHBondContact NE-OE1 3.27Å; R257-E261 IonicContact NH2-OE1 3.83Å; R257-E261 PolarHBondContact NH2-OE1 2.92Å; R257-E261 WeakPolarHBondContact O-CG 3.19Å; R257-E261 PolarHBondContact O-N 3.48Å; R257-N317 HydrophobicContact CB-CB 4.45Å; R257-H320 PolarHBondContact NH1-O 3.41Å; R257-H320 VanDerWaalsContact NH1-O 3.14Å
258	R	97.8	Very high	97.3	Very high	128 Å²	128	39.6 Å²	39.6	48%	0.483	19%	0.188	S	C	.	.	H	α-helix	trans	-66.9	-33.2	176.4	-65.7	-45.6	-161	142.1	11.2	113.3	T221 L225 N254 L255 V256 E261 R262	T221-R258 HydrophobicContact CG2-CG 4.37Å; L225-R258 HydrophobicContact CD1-CB 4.06Å; L225-R258 HydrophobicContact CD1-CG 4.13Å; L225-R258 HydrophobicContact CD2-CB 3.97Å; L225-R258 HydrophobicContact CG-CB 4.49Å; N254-R258 WeakPolarHBondContact O-CG 3.29Å; N254-R258 PolarHBondContact O-N 2.78Å; L255-R258 WeakPolarHBondContact O-CB 3.45Å; L255-R258 PolarHBondContact O-N 2.9Å; V256-R258 VanDerWaalsContact C-N 3.35Å; V256-R258 PolarHBondContact O-N 3.23Å; R258-E261 WeakPolarHBondContact CD-OE2 3.41Å; R258-E261 IonicContact CZ-OE2 3.12Å; R258-E261 IonicContact NE-OE2 3.31Å; R258-E261 IonicContact NH1-OE2 3.91Å; R258-E261 PolarHBondContact NH1-OE2 3.47Å; R258-E261 PolarHBondContact O-N 2.88Å; R258-R262 VanDerWaalsContact O-CG 3.31Å; R258-R262 WeakPolarHBondContact O-CG 3.35Å; R258-R262 PolarHBondContact O-N 3.43Å; R258-R262 VanDerWaalsContact O-N 3.11Å
259	L	97.9	Very high	97.3	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-68.7	-40.6	173.3	-68.5	176.8	0	0	0	111.8	L225 F228 I242 L255 V256 R257 E261 R262 E263 T264	L225-L259 HydrophobicContact CD2-CD2 4.09Å; L225-L259 HydrophobicContact CD2-CG 4.41Å; F228-L259 HydrophobicContact CD1-CD1 3.79Å; F228-L259 HydrophobicContact CD1-CD2 3.58Å; F228-L259 HydrophobicContact CD1-CG 4.33Å; F228-L259 HydrophobicContact CD2-CD1 4.02Å; F228-L259 HydrophobicContact CE1-CD1 3.58Å; F228-L259 HydrophobicContact CE1-CD2 3.5Å; F228-L259 VanDerWaalsContact CE1-CD2 3.5Å; F228-L259 HydrophobicContact CE1-CG 4.19Å; F228-L259 HydrophobicContact CE2-CD1 3.82Å; F228-L259 HydrophobicContact CG-CD1 4Å; F228-L259 HydrophobicContact CG-CD2 4.46Å; F228-L259 HydrophobicContact CZ-CD1 3.59Å; F228-L259 HydrophobicContact CZ-CD2 4.33Å; I242-L259 HydrophobicContact CD1-CD1 3.89Å; L255-L259 HydrophobicContact CD1-CD1 3.86Å; L255-L259 HydrophobicContact CD1-CD2 4.49Å; L255-L259 HydrophobicContact CD1-CG 3.98Å; L255-L259 HydrophobicContact CG-CD1 4Å; L255-L259 HydrophobicContact CG-CG 4.48Å; L255-L259 WeakPolarHBondContact O-CG 3.37Å; L255-L259 PolarHBondContact O-N 2.87Å; V256-L259 PolarHBondContact O-N 3.34Å; R257-L259 VanDerWaalsContact C-N 3.35Å; L259-E261 VanDerWaalsContact C-N 3.32Å; L259-E261 PolarHBondContact O-N 3.34Å; L259-R262 CarbonylContact O-C 3.57Å; L259-R262 PolarHBondContact O-N 2.87Å; L259-R262 VanDerWaalsContact O-N 3.1Å; L259-E263 PolarHBondContact O-N 3.28Å; L259-T264 WeakPolarHBondContact CB-O 3.36Å; L259-T264 CarbonylContact O-C 3.48Å; L259-T264 PolarHBondContact O-N 3.1Å
260	C	96.3	Very high	97.3	Very high	22 Å²	22	39.6 Å²	39.6	15%	0.149	19%	0.188	C	C	.	.	H	α-helix	trans	-64.8	-34.1	171.2	-61.5	0	0	0	0	112.3	V256 R257 R262 E263 S322	V256-C260 PolarHBondContact O-N 3.27Å; V256-C260 PolarHBondContact O-SG 3.41Å; R257-C260 PolarHBondContact O-N 2.85Å; C260-R262 VanDerWaalsContact C-N 3.26Å; C260-R262 PolarHBondContact O-N 3.07Å; C260-E263 PolarHBondContact O-N 3.44Å; C260-S322 PolarHBondContact SG-N 2.87Å; C260-S322 VanDerWaalsContact SG-N 3.37Å
261	E	96.1	Very high	97.4	Very high	89 Å²	89	39.6 Å²	39.6	42%	0.416	19%	0.188	S	C	.	.	H	α-helix	trans	-68.4	-20.4	171.6	-74.6	174.4	176.5	0	0	113.9	R257 R258 L259	R257-E261 IonicContact CZ-OE1 2.7Å; R257-E261 IonicContact NE-OE1 2.75Å; R257-E261 PolarHBondContact NE-OE1 3.27Å; R257-E261 IonicContact NH2-OE1 3.83Å; R257-E261 PolarHBondContact NH2-OE1 2.92Å; R257-E261 WeakPolarHBondContact O-CG 3.19Å; R257-E261 PolarHBondContact O-N 3.48Å; R258-E261 WeakPolarHBondContact CD-OE2 3.41Å; R258-E261 IonicContact CZ-OE2 3.12Å; R258-E261 IonicContact NE-OE2 3.31Å; R258-E261 IonicContact NH1-OE2 3.91Å; R258-E261 PolarHBondContact NH1-OE2 3.47Å; R258-E261 PolarHBondContact O-N 2.88Å; L259-E261 VanDerWaalsContact C-N 3.32Å; L259-E261 PolarHBondContact O-N 3.34Å
262	R	96.1	Very high	97.4	Very high	113 Å²	113	39.8 Å²	39.8	43%	0.426	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94	3.1	174.8	-72.1	168.5	168	-165.8	-2.6	113.1	D229 R258 L259 C260 T264	D229-R262 IonicContact OD1-CZ 3.77Å; D229-R262 IonicContact OD1-NH1 3.7Å; D229-R262 PolarHBondContact OD1-NH1 3.03Å; D229-R262 IonicContact OD2-CZ 2.78Å; D229-R262 IonicContact OD2-NH1 2.73Å; D229-R262 PolarHBondContact OD2-NH1 2.97Å; D229-R262 IonicContact OD2-NH2 3.17Å; D229-R262 PolarHBondContact OD2-NH2 3.21Å; D229-R262 VanDerWaalsContact OD2-NH2 3.08Å; R258-R262 VanDerWaalsContact O-CG 3.31Å; R258-R262 WeakPolarHBondContact O-CG 3.35Å; R258-R262 PolarHBondContact O-N 3.43Å; R258-R262 VanDerWaalsContact O-N 3.11Å; L259-R262 CarbonylContact O-C 3.57Å; L259-R262 PolarHBondContact O-N 2.87Å; L259-R262 VanDerWaalsContact O-N 3.1Å; C260-R262 VanDerWaalsContact C-N 3.26Å; C260-R262 PolarHBondContact O-N 3.07Å; R262-T264 WeakPolarHBondContact CB-OG1 3.23Å; R262-T264 PolarHBondContact O-N 2.82Å
263	E	95	Very high	97.4	Very high	179 Å²	179	39.8 Å²	39.8	84%	0.836	19%	0.189	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.6	20.6	-171	-53.8	-171.1	151.5	0	0	114.2	L259 C260 P265	L259-E263 PolarHBondContact O-N 3.28Å; C260-E263 PolarHBondContact O-N 3.44Å; E263-P265 WeakPolarHBondContact O-CD 3.46Å
264	T	94.8	Very high	97.3	Very high	76 Å²	76	39.8 Å²	39.8	47%	0.466	19%	0.189	S	C	.	.			trans	-121.7	57.4	-179.8	51.8	0	0	0	0	112.5	L259 R262	L259-T264 WeakPolarHBondContact CB-O 3.36Å; L259-T264 CarbonylContact O-C 3.48Å; L259-T264 PolarHBondContact O-N 3.1Å; R262-T264 WeakPolarHBondContact CB-OG1 3.23Å; R262-T264 PolarHBondContact O-N 2.82Å
265	P	95.3	Very high	97.2	Very high	59 Å²	59	39 Å²	39	38%	0.383	18%	0.184	S	C	.	.			trans	-59.6	148.8	-179.6	28.3	-35.9	0	0	0	112	E263 S322	E263-P265 WeakPolarHBondContact O-CD 3.46Å; P265-S322 WeakPolarHBondContact CB-O 3.03Å
266	P	96.1	Very high	97	Very high	4 Å²	4	39 Å²	39	3%	0.026	18%	0.184	C	C	.	.			trans	-72.7	160.9	173.3	36.3	-39.7	0	0	0	111.1	F228 I242 V256 A268 C323	F228-P266 HydrophobicContact CE2-CB 4.2Å; F228-P266 HydrophobicContact CZ-CB 4.41Å; I242-P266 HydrophobicContact CD1-CB 3.87Å; I242-P266 HydrophobicContact CD1-CG 4.03Å; I242-P266 HydrophobicContact CG1-CB 4.49Å; V256-P266 HydrophobicContact CB-CG 4.41Å; V256-P266 HydrophobicContact CG1-CG 3.79Å; V256-P266 HydrophobicContact CG2-CG 3.82Å; P266-A268 VanDerWaalsContact C-N 3.25Å; P266-A268 PolarHBondContact O-N 3.08Å; P266-C323 HydrophobicContact CG-CB 4.4Å; P266-C323 WeakPolarHBondContact O-CB 3.44Å
267	D	96.7	Very high	96.8	Very high	74 Å²	74	40.5 Å²	40.5	40%	0.396	19%	0.193	S	C	.	.	S	Bend	trans	-67	-25.1	-178.4	-55.6	-100.9	0	0	0	113.4	P239 V240 Y241 P324	P239-D267 VanDerWaalsContact CA-OD2 3.27Å; P239-D267 WeakPolarHBondContact CA-OD2 3.38Å; P239-D267 HydrophobicContact CB-CB 3.63Å; P239-D267 WeakPolarHBondContact CB-OD1 3.33Å; V240-D267 PolarHBondContact N-OD2 3.46Å; V240-D267 PolarHBondContact O-N 2.98Å; Y241-D267 HydrophobicContact CD1-CB 3.78Å; Y241-D267 HydrophobicContact CE1-CB 3.63Å; D267-P324 VanDerWaalsContact O-CD 3.26Å; D267-P324 WeakPolarHBondContact O-CD 3.44Å; D267-P324 WeakPolarHBondContact O-CG 3.31Å
268	A	98.1	Very high	96.3	Very high	1 Å²	1	37.9 Å²	37.9	1%	0.008	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-165.2	158.7	169.2	0	0	0	0	0	112.9	Y241 I242 P266 P324 F388 L389	Y241-A268 WeakPolarHBondContact CA-O 3.46Å; Y241-A268 HydrophobicContact CD1-CB 3.54Å; Y241-A268 HydrophobicContact CE1-CB 4.16Å; Y241-A268 HydrophobicContact CG-CB 4.3Å; I242-A268 PolarHBondContact N-O 2.79Å; P266-A268 VanDerWaalsContact C-N 3.25Å; P266-A268 PolarHBondContact O-N 3.08Å; A268-P324 HydrophobicContact CB-CB 4.22Å; A268-F388 HydrophobicContact CB-CE1 4.02Å; A268-L389 HydrophobicContact CB-CD2 3.65Å
269	L	98.8	Very high	95.8	Very high	0 Å²	0	35 Å²	35	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	130.8	169.5	177.5	57.3	0	0	0	110.6	I242 A252 T253 V256 L271 I321 P324 L325 L326	I242-L269 HydrophobicContact CB-CD1 4.2Å; I242-L269 HydrophobicContact CG2-CD1 3.91Å; I242-L269 CarbonylContact O-C 3.56Å; A252-L269 HydrophobicContact CB-CD1 3.85Å; T253-L269 HydrophobicContact CG2-CD2 4.36Å; V256-L269 HydrophobicContact CB-CD2 4.24Å; V256-L269 HydrophobicContact CG1-CD2 4.41Å; V256-L269 HydrophobicContact CG2-CB 4.41Å; V256-L269 HydrophobicContact CG2-CD1 3.92Å; V256-L269 HydrophobicContact CG2-CD2 4.06Å; V256-L269 HydrophobicContact CG2-CG 4.36Å; L269-L271 HydrophobicContact CD1-CD2 3.7Å; L269-L271 HydrophobicContact CD1-CG 4.41Å; L269-L271 HydrophobicContact CD2-CD2 4.19Å; L269-L271 HydrophobicContact CD2-CG 4.42Å; L269-L271 HydrophobicContact CG-CD2 3.94Å; L269-L271 HydrophobicContact CG-CG 4.14Å; L269-I321 HydrophobicContact CD2-CD1 3.81Å; L269-P324 PolarHBondContact N-O 2.87Å; L269-L325 HydrophobicContact CB-CD1 4.28Å; L269-L325 HydrophobicContact CD2-CD1 4.08Å; L269-L325 HydrophobicContact CG-CD1 3.94Å; L269-L325 CarbonylContact O-C 3.47Å; L269-L325 WeakPolarHBondContact O-CA 3.34Å; L269-L326 PolarHBondContact O-N 3.44Å
270	I	98.9	Very high	95.2	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	126.9	175.4	-55.4	170.1	0	0	0	108.1	I242 W243 G244 L326 L328 L385	I242-I270 PolarHBondContact O-N 2.81Å; W243-I270 CarbonylContact C-O 3.55Å; W243-I270 WeakPolarHBondContact CA-O 3.24Å; W243-I270 HydrophobicContact CB-CB 4.39Å; W243-I270 HydrophobicContact CD2-CB 4.17Å; W243-I270 HydrophobicContact CD2-CD1 4.42Å; W243-I270 HydrophobicContact CD2-CG2 3.76Å; W243-I270 HydrophobicContact CE3-CB 4.17Å; W243-I270 HydrophobicContact CE3-CD1 3.58Å; W243-I270 HydrophobicContact CE3-CG1 4.47Å; W243-I270 HydrophobicContact CE3-CG2 3.83Å; W243-I270 HydrophobicContact CG-CB 4.28Å; W243-I270 HydrophobicContact CG-CG2 4.22Å; W243-I270 HydrophobicContact CH2-CG2 4.47Å; W243-I270 HydrophobicContact CZ2-CG2 4.42Å; W243-I270 HydrophobicContact CZ3-CD1 3.97Å; W243-I270 HydrophobicContact CZ3-CG2 4.19Å; G244-I270 PolarHBondContact N-O 2.84Å; I270-L326 CarbonylContact C-O 3.52Å; I270-L326 WeakPolarHBondContact CA-O 3.44Å; I270-L326 HydrophobicContact CG1-CB 4.28Å; I270-L326 HydrophobicContact CG1-CD2 4.34Å; I270-L326 HydrophobicContact CG2-CD2 4.2Å; I270-L326 HydrophobicContact CG2-CG 4.43Å; I270-L328 HydrophobicContact CG2-CD1 4.2Å; I270-L328 HydrophobicContact CG2-CG 4.48Å; I270-L385 HydrophobicContact CD1-CD2 3.82Å
271	L	98.9	Very high	94.7	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	110.9	179.2	-58.2	-177.2	0	0	0	110.3	T249 A252 T253 L269 P274 L325 L326 I327 L328 L344	T249-L271 HydrophobicContact CG2-CB 4.05Å; T249-L271 HydrophobicContact CG2-CD2 4.06Å; A252-L271 HydrophobicContact CB-CD2 4.02Å; T253-L271 HydrophobicContact CG2-CD1 3.96Å; T253-L271 HydrophobicContact CG2-CD2 4.2Å; L269-L271 HydrophobicContact CD1-CD2 3.7Å; L269-L271 HydrophobicContact CD1-CG 4.41Å; L269-L271 HydrophobicContact CD2-CD2 4.19Å; L269-L271 HydrophobicContact CD2-CG 4.42Å; L269-L271 HydrophobicContact CG-CD2 3.94Å; L269-L271 HydrophobicContact CG-CG 4.14Å; L271-P274 HydrophobicContact CB-CB 4.14Å; L271-P274 HydrophobicContact CB-CG 4.1Å; L271-L325 HydrophobicContact CD1-CD1 3.83Å; L271-L325 HydrophobicContact CG-CD1 3.87Å; L271-L326 PolarHBondContact N-O 3.18Å; L271-I327 HydrophobicContact CB-CG1 4.28Å; L271-I327 HydrophobicContact CD1-CG1 4.42Å; L271-I327 WeakPolarHBondContact O-CA 3.37Å; L271-L328 PolarHBondContact O-N 3.45Å; L271-L344 HydrophobicContact CD1-CD2 3.88Å
272	E	98.7	Very high	94.1	Very high	4 Å²	4	34.7 Å²	34.7	2%	0.019	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	123.1	178.9	-171.1	-167.4	172.1	0	0	110.9	W243 G244 H245 S246 L328 I375	W243-E272 PolarHBondContact NE1-OE2 2.82Å; G244-E272 PolarHBondContact O-N 3.28Å; H245-E272 WeakPolarHBondContact CA-O 3.47Å; H245-E272 HydrophobicContact CB-CB 4.39Å; H245-E272 VanDerWaalsContact CD2-CD 3.48Å; H245-E272 IonicContact CD2-OE1 2.85Å; H245-E272 IonicContact CD2-OE2 3.15Å; H245-E272 IonicContact CG-OE2 2.76Å; S246-E272 PolarHBondContact N-O 2.85Å; E272-L328 WeakPolarHBondContact CA-O 3.37Å; E272-I375 HydrophobicContact CG-CD1 4.01Å
273	S	97.9	Very high	93.4	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	17%	0.169	C	C	.	.	S	Bend	trans	50.4	51.9	-175.6	-52.7	0	0	0	0	114.1	L328 D333 H372	S273-L328 PolarHBondContact N-O 2.86Å; S273-D333 WeakPolarHBondContact CB-OD2 3.18Å; S273-H372 PolarHBondContact OG-O 3.02Å; S273-H372 VanDerWaalsContact OG-O 3.05Å
274	P	97.8	Very high	92.7	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	14%	0.141	C	C	.	.			trans	-76	153.6	-175.4	30.6	-34.3	0	0	0	114.2	T249 L271 I327 H329 V336 G341 L344	T249-P274 HydrophobicContact CG2-CB 3.85Å; L271-P274 HydrophobicContact CB-CB 4.14Å; L271-P274 HydrophobicContact CB-CG 4.1Å; P274-I327 HydrophobicContact CG-CG2 3.65Å; P274-H329 PolarHBondContact O-CE1 3.42Å; P274-V336 WeakPolarHBondContact O-CG1 3.49Å; P274-G341 PolarHBondContact O-N 3.42Å; P274-L344 HydrophobicContact CB-CD2 3.78Å; P274-L344 HydrophobicContact CG-CD2 4.11Å
275	F	95.9	Very high	91.9	Very high	3 Å²	3	24.5 Å²	24.5	1%	0.013	13%	0.127	C	C	.	.			trans	-107.2	168.1	165.8	59	-85.9	0	0	0	110.4	S246 N277 E281 F312 N314 V336 L340	S246-F275 WeakPolarHBondContact O-CE1 3.35Å; F275-N277 VanDerWaalsContact CD2-C 3.42Å; F275-E281 HydrophobicContact CB-CB 3.97Å; F275-E281 HydrophobicContact CB-CG 4.11Å; F275-E281 HydrophobicContact CD2-CB 4.19Å; F275-E281 HydrophobicContact CG-CB 4.09Å; F275-E281 HydrophobicContact CG-CG 4.18Å; F275-F312 HydrophobicContact CE2-CB 3.72Å; F275-F312 WeakPolarHBondContact CE2-O 3.49Å; F275-F312 HydrophobicContact CZ-CB 3.74Å; F275-F312 HydrophobicContact CZ-CG 4.42Å; F275-N314 WeakPolarHBondContact O-CB 3.29Å; F275-N314 PolarHBondContact O-ND2 2.97Å; F275-V336 HydrophobicContact CB-CG1 3.91Å; F275-L340 HydrophobicContact CB-CD1 4.07Å
276	T	94.9	Very high	90.9	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	13%	0.13	C	C	.	.	S	Bend	trans	-79.2	-55.7	176.9	36.8	0	0	0	0	112.9	E280 N314 D315 K343 L344	T276-E280 WeakPolarHBondContact CB-OE2 3.32Å; T276-E280 PolarHBondContact OG1-OE2 2.92Å; T276-N314 WeakPolarHBondContact O-CA 3.35Å; T276-N314 VanDerWaalsContact O-CB 3.31Å; T276-N314 WeakPolarHBondContact O-CB 3.25Å; T276-N314 PolarHBondContact O-N 2.94Å; T276-D315 HydrophobicContact CG2-CB 4.29Å; T276-D315 VanDerWaalsContact O-CG 3.29Å; T276-D315 PolarHBondContact O-N 2.82Å; T276-K343 HydrophobicContact CG2-CB 4.09Å; T276-K343 HydrophobicContact CG2-CD 3.83Å; T276-K343 HydrophobicContact CG2-CG 3.89Å; T276-L344 HydrophobicContact CG2-CB 4.34Å
277	N	92.7	Very high	89.7	Confident	33 Å²	33	32.3 Å²	32.3	18%	0.176	16%	0.162	C	C	.	.			trans	-151.3	160.2	171.1	63.9	72.8	0	0	0	109.6	F275 R279 E280 E281 D315	F275-N277 VanDerWaalsContact CD2-C 3.42Å; N277-R279 PolarHBondContact O-N 3.32Å; N277-R279 VanDerWaalsContact O-N 3.14Å; N277-R279 WeakPolarHBondContact OD1-CA 3.18Å; N277-R279 VanDerWaalsContact OD1-CB 3.3Å; N277-R279 WeakPolarHBondContact OD1-CB 3.41Å; N277-R279 PolarHBondContact OD1-N 3.48Å; N277-E280 PolarHBondContact O-N 3.33Å; N277-E280 PolarHBondContact OD1-N 2.81Å; N277-E281 PolarHBondContact O-N 3.02Å; N277-D315 PolarHBondContact ND2-OD2 3.11Å
278	I	87.7	Confident	88.7	Confident	10 Å²	10	29.2 Å²	29.2	5%	0.051	15%	0.146	C	C	.	.	H	α-helix	trans	-63.3	-23.4	-174.2	-159.8	63.4	0	0	0	113	I101 L247 A282 I305 I310 K311 F312	I101-I278 HydrophobicContact CG2-CD1 4.43Å; I101-I278 HydrophobicContact CG2-CG1 4.37Å; L247-I278 HydrophobicContact CD1-CD1 4.43Å; I278-A282 WeakPolarHBondContact O-CB 3.45Å; I278-A282 PolarHBondContact O-N 3.42Å; I278-I305 HydrophobicContact CG1-CG2 4.42Å; I278-I305 HydrophobicContact CG2-CG2 3.59Å; I278-I310 HydrophobicContact CG2-CG2 4.3Å; I278-K311 WeakPolarHBondContact CB-O 3.47Å; I278-K311 VanDerWaalsContact CG2-O 3.28Å; I278-K311 WeakPolarHBondContact CG2-O 3.42Å; I278-K311 PolarHBondContact N-O 3.3Å; I278-F312 HydrophobicContact CB-CD2 4.35Å; I278-F312 HydrophobicContact CD1-CD2 4.38Å; I278-F312 HydrophobicContact CG1-CD2 4.4Å
279	R	87	Confident	87.8	Confident	67 Å²	67	32.8 Å²	32.8	25%	0.253	17%	0.168	S	C	.	.	H	α-helix	trans	-75.2	-39.4	178.8	-172.6	179.7	177.6	115	3.4	111.2	N277 K283 D298 L302 D303 T306	N277-R279 PolarHBondContact O-N 3.32Å; N277-R279 VanDerWaalsContact O-N 3.14Å; N277-R279 WeakPolarHBondContact OD1-CA 3.18Å; N277-R279 VanDerWaalsContact OD1-CB 3.3Å; N277-R279 WeakPolarHBondContact OD1-CB 3.41Å; N277-R279 PolarHBondContact OD1-N 3.48Å; R279-K283 VanDerWaalsContact O-CB 3.25Å; R279-K283 WeakPolarHBondContact O-CB 3.32Å; R279-K283 PolarHBondContact O-N 3.45Å; R279-K283 VanDerWaalsContact O-N 3.1Å; R279-D298 IonicContact CZ-OD2 3.22Å; R279-D298 IonicContact NH2-OD2 2.77Å; R279-D298 PolarHBondContact NH2-OD2 3.07Å; R279-L302 HydrophobicContact CG-CB 3.94Å; R279-L302 HydrophobicContact CG-CD1 4Å; R279-L302 HydrophobicContact CG-CD2 4.3Å; R279-L302 HydrophobicContact CG-CG 4.31Å; R279-L302 PolarHBondContact NH1-O 2.58Å; R279-D303 IonicContact CZ-OD1 3.76Å; R279-D303 IonicContact NH1-OD1 2.72Å; R279-D303 PolarHBondContact NH1-OD1 3.22Å; R279-D303 IonicContact NH2-OD1 3.18Å; R279-D303 PolarHBondContact NH2-OD1 3.06Å; R279-T306 PolarHBondContact NH1-OG1 2.76Å
280	E	84.9	Confident	87	Confident	52 Å²	52	38.1 Å²	38.1	24%	0.243	20%	0.195	C	C	.	.	H	α-helix	trans	-75.5	-34.8	176	-168	168.2	-158.6	0	0	111.9	T276 N277 S284 L340 K343	T276-E280 WeakPolarHBondContact CB-OE2 3.32Å; T276-E280 PolarHBondContact OG1-OE2 2.92Å; N277-E280 PolarHBondContact O-N 3.33Å; N277-E280 PolarHBondContact OD1-N 2.81Å; E280-S284 VanDerWaalsContact O-CB 3.29Å; E280-S284 WeakPolarHBondContact O-CB 3.43Å; E280-S284 PolarHBondContact O-N 3.28Å; E280-S284 PolarHBondContact O-OG 3.44Å; E280-L340 HydrophobicContact CG-CD2 3.81Å; E280-K343 IonicContact OE1-NZ 2.74Å; E280-K343 PolarHBondContact OE1-NZ 2.7Å; E280-K343 IonicContact OE2-NZ 3.16Å; E280-K343 PolarHBondContact OE2-NZ 2.93Å
281	E	85.7	Confident	86.2	Confident	31 Å²	31	39.4 Å²	39.4	15%	0.145	20%	0.2	C	C	.	.	H	α-helix	trans	-57.8	-59	167.2	-170.5	-76.6	149.1	0	0	110.5	F275 N277 K283 S284 H285	F275-E281 HydrophobicContact CB-CB 3.97Å; F275-E281 HydrophobicContact CB-CG 4.11Å; F275-E281 HydrophobicContact CD2-CB 4.19Å; F275-E281 HydrophobicContact CG-CB 4.09Å; F275-E281 HydrophobicContact CG-CG 4.18Å; N277-E281 PolarHBondContact O-N 3.02Å; E281-K283 PolarHBondContact O-N 3.2Å; E281-K283 VanDerWaalsContact O-N 3.12Å; E281-S284 CarbonylContact O-C 3.51Å; E281-S284 WeakPolarHBondContact O-CA 3.37Å; E281-S284 PolarHBondContact O-N 3.07Å; E281-H285 WeakPolarHBondContact O-CB 3.43Å; E281-H285 PolarHBondContact O-N 2.85Å; E281-H285 IonicContact OE1-CD2 3.7Å; E281-H285 PolarHBondContact OE1-CD2 3.23Å; E281-H285 VanDerWaalsContact OE1-CD2 3.23Å; E281-H285 IonicContact OE1-CG 3.47Å
282	A	83.3	Confident	85.3	Confident	23 Å²	23	44.2 Å²	44.2	19%	0.19	22%	0.218	C	C	.	.	H	α-helix	trans	-62.6	-25.7	-177.8	0	0	0	0	0	113.8	I278 S284 S288 L302 I305	I278-A282 WeakPolarHBondContact O-CB 3.45Å; I278-A282 PolarHBondContact O-N 3.42Å; A282-S284 VanDerWaalsContact C-N 3.33Å; A282-S288 WeakPolarHBondContact O-CB 3.26Å; A282-L302 HydrophobicContact CB-CD2 3.82Å; A282-I305 HydrophobicContact CB-CD1 3.86Å
283	K	82.8	Confident	84.5	Confident	79 Å²	79	53.5 Å²	53.5	34%	0.343	26%	0.255	S	S	.	.	H	α-helix	trans	-77.6	-16.2	172.9	-168.5	165.7	-169.9	135.8	0	113.6	R279 E281 S288 R292 F297 D298 L302	R279-K283 VanDerWaalsContact O-CB 3.25Å; R279-K283 WeakPolarHBondContact O-CB 3.32Å; R279-K283 PolarHBondContact O-N 3.45Å; R279-K283 VanDerWaalsContact O-N 3.1Å; E281-K283 PolarHBondContact O-N 3.2Å; E281-K283 VanDerWaalsContact O-N 3.12Å; K283-S288 PolarHBondContact O-OG 2.91Å; K283-R292 VanDerWaalsContact O-CD 3.29Å; K283-R292 WeakPolarHBondContact O-CD 3.3Å; K283-R292 PolarHBondContact O-NH1 3.09Å; K283-F297 HydrophobicContact CG-CE1 4.26Å; K283-D298 VanDerWaalsContact NZ-CG 3.34Å; K283-D298 IonicContact NZ-OD1 2.94Å; K283-D298 PolarHBondContact NZ-OD1 2.79Å; K283-D298 IonicContact NZ-OD2 2.81Å; K283-D298 PolarHBondContact NZ-OD2 3.32Å; K283-D298 VanDerWaalsContact NZ-OD2 3.12Å; K283-L302 HydrophobicContact CB-CD1 3.91Å; K283-L302 HydrophobicContact CB-CD2 4.41Å; K283-L302 HydrophobicContact CD-CD1 3.78Å; K283-L302 HydrophobicContact CG-CD1 4.08Å
284	S	79.4	Confident	83.8	Confident	36 Å²	36	54.9 Å²	54.9	25%	0.252	26%	0.261	S	S	.	.	H	α-helix	trans	-114.2	-23.1	-175	-50.1	0	0	0	0	113.5	E280 E281 A282	E280-S284 VanDerWaalsContact O-CB 3.29Å; E280-S284 WeakPolarHBondContact O-CB 3.43Å; E280-S284 PolarHBondContact O-N 3.28Å; E280-S284 PolarHBondContact O-OG 3.44Å; E281-S284 CarbonylContact O-C 3.51Å; E281-S284 WeakPolarHBondContact O-CA 3.37Å; E281-S284 PolarHBondContact O-N 3.07Å; A282-S284 VanDerWaalsContact C-N 3.33Å
285	H	77.9	Confident	83.1	Confident	38 Å²	38	60.2 Å²	60.2	18%	0.176	30%	0.295	C	S	.	.	S	Bend	trans	-58	140.4	-179.8	-171.8	-92.8	0	0	0	112.1	E281 F287 S288 V335	E281-H285 WeakPolarHBondContact O-CB 3.43Å; E281-H285 PolarHBondContact O-N 2.85Å; E281-H285 IonicContact OE1-CD2 3.7Å; E281-H285 PolarHBondContact OE1-CD2 3.23Å; E281-H285 VanDerWaalsContact OE1-CD2 3.23Å; E281-H285 IonicContact OE1-CG 3.47Å; H285-F287 VanDerWaalsContact C-N 3.3Å; H285-F287 AromaticContact CE1-CD2 3.32Å; H285-F287 WeakPolarHBondContact CE1-CD2 3.4Å; H285-F287 AromaticContact CE1-CE2 3.78Å; H285-F287 AromaticContact ND1-CD2 3.59Å; H285-F287 PolarHBondContact ND1-N 3.44Å; H285-F287 PolarHBondContact O-N 2.96Å; H285-F287 VanDerWaalsContact O-N 3.07Å; H285-S288 VanDerWaalsContact O-CB 3.23Å; H285-S288 WeakPolarHBondContact O-CB 3.3Å; H285-S288 PolarHBondContact O-N 3.5Å; H285-S288 PolarHBondContact O-OG 2.88Å; H285-V335 PolarHBondContact CD2-O 2.99Å
286	P	74.1	Confident	82.3	Confident	66 Å²	66	62 Å²	62	43%	0.429	32%	0.315	S	S	.	.	G	3₁₀ helix	trans	-52.6	-35.4	-172.7	-30.4	34.6	0	0	0	116.6	S288 V289 P334	P286-S288 PolarHBondContact O-N 3.33Å; P286-V289 WeakPolarHBondContact O-CB 3.1Å; P286-V289 WeakPolarHBondContact O-CG2 3.46Å; P286-V289 PolarHBondContact O-N 2.95Å; P286-V289 VanDerWaalsContact O-N 3.15Å; P286-P334 WeakPolarHBondContact CG-O 3.49Å
287	F	70.6	Confident	81.8	Confident	161 Å²	161	62.4 Å²	62.4	71%	0.706	32%	0.317	S	S	*	.	G	3₁₀ helix	trans	-62.2	-26.6	176	-67.6	-46.9	0	0	0	113.3	H285 V289	H285-F287 VanDerWaalsContact C-N 3.3Å; H285-F287 AromaticContact CE1-CD2 3.32Å; H285-F287 WeakPolarHBondContact CE1-CD2 3.4Å; H285-F287 AromaticContact CE1-CE2 3.78Å; H285-F287 AromaticContact ND1-CD2 3.59Å; H285-F287 PolarHBondContact ND1-N 3.44Å; H285-F287 PolarHBondContact O-N 2.96Å; H285-F287 VanDerWaalsContact O-N 3.07Å; F287-V289 VanDerWaalsContact C-N 3.29Å; F287-V289 PolarHBondContact O-N 3.36Å
288	S	77.2	Confident	81.3	Confident	9 Å²	9	63.3 Å²	63.3	6%	0.063	32%	0.321	C	S	.	.	G	3₁₀ helix	trans	-67.6	-30	177.5	86.6	0	0	0	0	111.9	A282 K283 H285 P286 I290 Y291 R292	A282-S288 WeakPolarHBondContact O-CB 3.26Å; K283-S288 PolarHBondContact O-OG 2.91Å; H285-S288 VanDerWaalsContact O-CB 3.23Å; H285-S288 WeakPolarHBondContact O-CB 3.3Å; H285-S288 PolarHBondContact O-N 3.5Å; H285-S288 PolarHBondContact O-OG 2.88Å; P286-S288 PolarHBondContact O-N 3.33Å; S288-I290 PolarHBondContact O-N 3.45Å; S288-I290 VanDerWaalsContact O-N 3.11Å; S288-Y291 CarbonylContact O-C 3.4Å; S288-Y291 WeakPolarHBondContact O-CA 3.35Å; S288-Y291 PolarHBondContact O-N 3.32Å; S288-R292 WeakPolarHBondContact O-CB 3.33Å; S288-R292 PolarHBondContact O-N 3.47Å
289	V	79.1	Confident	81	Confident	77 Å²	77	69.3 Å²	69.3	47%	0.467	34%	0.343	S	S	.	.	G	3₁₀ helix	trans	-56.5	-35	-174.1	179.4	0	0	0	0	112.3	P286 F287 Y291	P286-V289 WeakPolarHBondContact O-CB 3.1Å; P286-V289 WeakPolarHBondContact O-CG2 3.46Å; P286-V289 PolarHBondContact O-N 2.95Å; P286-V289 VanDerWaalsContact O-N 3.15Å; F287-V289 VanDerWaalsContact C-N 3.29Å; F287-V289 PolarHBondContact O-N 3.36Å; V289-Y291 VanDerWaalsContact C-N 3.3Å; V289-Y291 PolarHBondContact O-N 2.99Å
290	I	81.3	Confident	80.7	Confident	112 Å²	112	66.8 Å²	66.8	57%	0.574	33%	0.334	S	S	*	.	G	3₁₀ helix	trans	-67	-32.2	177.8	-50.9	178.1	0	0	0	111.2	Y83 S288	Y83-I290 HydrophobicContact CD2-CG2 4.39Å; Y83-I290 HydrophobicContact CE2-CG2 4.09Å; Y83-I290 WeakPolarHBondContact CE2-O 3.28Å; Y83-I290 PolarHBondContact OH-O 3.02Å; S288-I290 PolarHBondContact O-N 3.45Å; S288-I290 VanDerWaalsContact O-N 3.11Å
291	Y	81.8	Confident	80.4	Confident	27 Å²	27	65.9 Å²	65.9	11%	0.106	33%	0.329	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108.3	-7.8	-175.1	-71.6	-77.1	0	0	0	114.8	Y83 I86 P87 S288 V289 Y293 F294 F297 F301	Y83-Y291 HydrophobicContact CD2-CD1 4Å; Y83-Y291 AromaticContact CD2-CE1 3.28Å; Y83-Y291 HydrophobicContact CD2-CE1 3.28Å; Y83-Y291 AromaticContact CD2-CZ 3.58Å; Y83-Y291 AromaticContact CE2-CD1 3.46Å; Y83-Y291 HydrophobicContact CE2-CD1 3.46Å; Y83-Y291 VanDerWaalsContact CE2-CD1 3.46Å; Y83-Y291 AromaticContact CE2-CE1 3.27Å; Y83-Y291 HydrophobicContact CE2-CE1 3.27Å; Y83-Y291 HydrophobicContact CE2-CG 4.2Å; Y83-Y291 AromaticContact CE2-CZ 3.87Å; Y83-Y291 HydrophobicContact CG-CE1 4.15Å; Y83-Y291 WeakPolarHBondContact O-CE1 3.24Å; I86-Y291 WeakPolarHBondContact CD1-OH 3.36Å; I86-Y291 HydrophobicContact CG2-CE2 4.39Å; P87-Y291 HydrophobicContact CG-CD1 3.93Å; P87-Y291 HydrophobicContact CG-CE1 3.76Å; S288-Y291 CarbonylContact O-C 3.4Å; S288-Y291 WeakPolarHBondContact O-CA 3.35Å; S288-Y291 PolarHBondContact O-N 3.32Å; V289-Y291 VanDerWaalsContact C-N 3.3Å; V289-Y291 PolarHBondContact O-N 2.99Å; Y291-Y293 PolarHBondContact O-N 2.82Å; Y291-Y293 VanDerWaalsContact O-N 3.11Å; Y291-F294 WeakPolarHBondContact O-CB 3.33Å; Y291-F294 PolarHBondContact O-N 2.89Å; Y291-F297 VanDerWaalsContact O-CD2 3.24Å; Y291-F297 WeakPolarHBondContact O-CD2 3.5Å; Y291-F301 HydrophobicContact CD1-CE2 4.03Å; Y291-F301 AromaticContact CD1-CZ 3.75Å; Y291-F301 HydrophobicContact CD1-CZ 3.75Å; Y291-F301 HydrophobicContact CD2-CZ 4.03Å; Y291-F301 HydrophobicContact CE1-CZ 4.27Å; Y291-F301 HydrophobicContact CG-CE1 4.48Å; Y291-F301 AromaticContact CG-CE2 4Å; Y291-F301 HydrophobicContact CG-CE2 4Å; Y291-F301 AromaticContact CG-CZ 3.62Å; Y291-F301 HydrophobicContact CG-CZ 3.62Å
292	R	81.4	Confident	80.2	Confident	101 Å²	101	64.4 Å²	64.4	38%	0.381	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67	-18.9	-169.5	-167	156.4	70.2	177.7	3	114.2	K283 S288	K283-R292 VanDerWaalsContact O-CD 3.29Å; K283-R292 WeakPolarHBondContact O-CD 3.3Å; K283-R292 PolarHBondContact O-NH1 3.09Å; S288-R292 WeakPolarHBondContact O-CB 3.33Å; S288-R292 PolarHBondContact O-N 3.47Å
293	Y	81.3	Confident	80.2	Confident	198 Å²	198	65.8 Å²	65.8	78%	0.776	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.4	6.1	172.6	-55.8	-73.1	0	0	0	113.2	Y291	Y291-Y293 PolarHBondContact O-N 2.82Å; Y291-Y293 VanDerWaalsContact O-N 3.11Å
294	F	82.1	Confident	80.1	Confident	29 Å²	29	62.4 Å²	62.4	13%	0.127	31%	0.313	C	S	.	.	S	Bend	trans	-71.2	130.3	174.9	-168.4	-92.1	0	0	0	110	Y83 P87 Y291 G296 F297 F300	Y83-F294 AromaticContact CE1-CD2 3.75Å; Y83-F294 HydrophobicContact CE1-CD2 3.75Å; Y83-F294 HydrophobicContact CE1-CE2 4.05Å; Y83-F294 AromaticContact CZ-CD2 3.8Å; P87-F294 HydrophobicContact CB-CE1 4.21Å; P87-F294 HydrophobicContact CG-CD1 4.39Å; P87-F294 HydrophobicContact CG-CE1 4.08Å; P87-F294 HydrophobicContact CG-CE2 4.37Å; P87-F294 HydrophobicContact CG-CZ 4.06Å; Y291-F294 WeakPolarHBondContact O-CB 3.33Å; Y291-F294 PolarHBondContact O-N 2.89Å; F294-G296 PolarHBondContact O-N 3.18Å; F294-G296 VanDerWaalsContact O-N 3.15Å; F294-F297 WeakPolarHBondContact O-CB 3.47Å; F294-F297 PolarHBondContact O-N 2.93Å; F294-F300 HydrophobicContact CD1-CD2 4.1Å; F294-F300 HydrophobicContact CD1-CE2 4.27Å; F294-F300 AromaticContact CE1-CD2 3.86Å; F294-F300 HydrophobicContact CE1-CD2 3.86Å; F294-F300 AromaticContact CE1-CE2 3.64Å; F294-F300 HydrophobicContact CE1-CE2 3.64Å; F294-F300 HydrophobicContact CE1-CZ 4.31Å
295	P	83.6	Confident	80	Confident	112 Å²	112	61.1 Å²	61.1	73%	0.727	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.5	121	177.5	-27.4	36.1	0	0	0	111.8
296	G	80.4	Confident	80.1	Confident	41 Å²	41	62 Å²	62	42%	0.423	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	79.5	20.8	-176.3	0	0	0	0	0	115.3	F294 D298 W299 F300	F294-G296 PolarHBondContact O-N 3.18Å; F294-G296 VanDerWaalsContact O-N 3.15Å; G296-D298 VanDerWaalsContact C-N 3.28Å; G296-D298 PolarHBondContact O-N 3.45Å; G296-W299 WeakPolarHBondContact O-CA 3.43Å; G296-W299 WeakPolarHBondContact O-CB 3.4Å; G296-W299 PolarHBondContact O-N 2.83Å; G296-F300 WeakPolarHBondContact O-CD2 3.35Å; G296-F300 PolarHBondContact O-N 2.66Å
297	F	83.4	Confident	80.2	Confident	9 Å²	9	64 Å²	64	4%	0.039	33%	0.327	C	S	.	.	H	α-helix	trans	-43.1	-50.9	175.3	172.8	-100.6	0	0	0	113.3	K283 Y291 F294 W299 F300 F301 L302	K283-F297 HydrophobicContact CG-CE1 4.26Å; Y291-F297 VanDerWaalsContact O-CD2 3.24Å; Y291-F297 WeakPolarHBondContact O-CD2 3.5Å; F294-F297 WeakPolarHBondContact O-CB 3.47Å; F294-F297 PolarHBondContact O-N 2.93Å; F297-W299 VanDerWaalsContact C-N 3.3Å; F297-W299 PolarHBondContact O-N 3.13Å; F297-F300 PolarHBondContact O-N 2.69Å; F297-F301 HydrophobicContact CD2-CB 4.23Å; F297-F301 AromaticContact CD2-CD2 3.36Å; F297-F301 HydrophobicContact CD2-CD2 3.36Å; F297-F301 AromaticContact CD2-CE2 3.9Å; F297-F301 HydrophobicContact CD2-CE2 3.9Å; F297-F301 AromaticContact CD2-CG 3.98Å; F297-F301 HydrophobicContact CD2-CG 3.98Å; F297-F301 HydrophobicContact CE2-CB 3.84Å; F297-F301 HydrophobicContact CE2-CD1 4.45Å; F297-F301 AromaticContact CE2-CD2 3.59Å; F297-F301 HydrophobicContact CE2-CD2 3.59Å; F297-F301 HydrophobicContact CE2-CE2 4.21Å; F297-F301 AromaticContact CE2-CG 3.72Å; F297-F301 HydrophobicContact CE2-CG 3.72Å; F297-F301 HydrophobicContact CG-CD2 4.26Å; F297-F301 HydrophobicContact CZ-CB 4.12Å; F297-F301 HydrophobicContact CZ-CG 4.47Å; F297-F301 WeakPolarHBondContact O-CB 3.43Å; F297-F301 WeakPolarHBondContact O-CD2 3.44Å; F297-F301 PolarHBondContact O-N 2.89Å; F297-L302 HydrophobicContact CD1-CD1 4.41Å; F297-L302 HydrophobicContact CE1-CD1 3.91Å; F297-L302 HydrophobicContact CE1-CD2 4.22Å; F297-L302 HydrophobicContact CE1-CG 3.93Å; F297-L302 HydrophobicContact CZ-CD2 4.39Å; F297-L302 HydrophobicContact CZ-CG 4.48Å
298	D	81.8	Confident	80.5	Confident	51 Å²	51	59 Å²	59	27%	0.273	31%	0.312	S	S	.	.	I	π-helix	trans	-56.6	-41.1	177	-84.3	54.3	0	0	0	112.1	R279 K283 G296 L302 D303	R279-D298 IonicContact CZ-OD2 3.22Å; R279-D298 IonicContact NH2-OD2 2.77Å; R279-D298 PolarHBondContact NH2-OD2 3.07Å; K283-D298 VanDerWaalsContact NZ-CG 3.34Å; K283-D298 IonicContact NZ-OD1 2.94Å; K283-D298 PolarHBondContact NZ-OD1 2.79Å; K283-D298 IonicContact NZ-OD2 2.81Å; K283-D298 PolarHBondContact NZ-OD2 3.32Å; K283-D298 VanDerWaalsContact NZ-OD2 3.12Å; G296-D298 VanDerWaalsContact C-N 3.28Å; G296-D298 PolarHBondContact O-N 3.45Å; D298-L302 HydrophobicContact CB-CD1 4.45Å; D298-L302 CarbonylContact O-C 3.57Å; D298-L302 WeakPolarHBondContact O-CA 3.35Å; D298-L302 WeakPolarHBondContact O-CB 3.33Å; D298-L302 PolarHBondContact O-N 2.68Å; D298-D303 PolarHBondContact O-N 2.66Å
299	W	81.9	Confident	80.7	Confident	136 Å²	136	60.9 Å²	60.9	52%	0.515	33%	0.332	S	S	.	.	I	π-helix	trans	-71.5	-34.3	179.4	-176.3	82	0	0	0	114.1	K91 G296 F297 D303 P304	K91-W299 WeakPolarHBondContact CE-O 3.31Å; K91-W299 HydrophobicContact CG-CH2 4.3Å; K91-W299 HydrophobicContact CG-CZ3 4.19Å; K91-W299 PolarHBondContact NZ-O 2.83Å; G296-W299 WeakPolarHBondContact O-CA 3.43Å; G296-W299 WeakPolarHBondContact O-CB 3.4Å; G296-W299 PolarHBondContact O-N 2.83Å; F297-W299 VanDerWaalsContact C-N 3.3Å; F297-W299 PolarHBondContact O-N 3.13Å; W299-D303 WeakPolarHBondContact CA-OD2 3.34Å; W299-P304 WeakPolarHBondContact O-CD 3.48Å
300	F	81	Confident	81	Confident	15 Å²	15	57.7 Å²	57.7	7%	0.066	31%	0.313	C	S	.	.	I	π-helix	trans	-81.1	-37.1	178.8	-79.8	-73.6	0	0	0	113.3	P87 F88 K91 F294 G296 F297 P304	P87-F300 VanDerWaalsContact C-CD1 3.49Å; P87-F300 HydrophobicContact CB-CB 3.91Å; P87-F300 HydrophobicContact CB-CD1 3.56Å; P87-F300 HydrophobicContact CB-CD2 4.23Å; P87-F300 HydrophobicContact CB-CE1 4.07Å; P87-F300 HydrophobicContact CB-CG 3.65Å; P87-F300 WeakPolarHBondContact O-CD1 3.38Å; F88-F300 HydrophobicContact CB-CE1 4.48Å; F88-F300 AromaticContact CD1-CE1 3.86Å; F88-F300 HydrophobicContact CD1-CE1 3.86Å; F88-F300 HydrophobicContact CD1-CZ 4.3Å; F88-F300 AromaticContact CD2-CE1 3.67Å; F88-F300 HydrophobicContact CD2-CE1 3.67Å; F88-F300 AromaticContact CD2-CZ 3.97Å; F88-F300 HydrophobicContact CD2-CZ 3.97Å; F88-F300 AromaticContact CE1-CE1 3.95Å; F88-F300 HydrophobicContact CE1-CE1 3.95Å; F88-F300 AromaticContact CE1-CZ 3.92Å; F88-F300 HydrophobicContact CE1-CZ 3.92Å; F88-F300 AromaticContact CE2-CE1 3.79Å; F88-F300 HydrophobicContact CE2-CE1 3.79Å; F88-F300 AromaticContact CE2-CZ 3.57Å; F88-F300 HydrophobicContact CE2-CZ 3.57Å; F88-F300 AromaticContact CG-CE1 3.73Å; F88-F300 HydrophobicContact CG-CE1 3.73Å; F88-F300 HydrophobicContact CG-CZ 4.33Å; F88-F300 AromaticContact CZ-CE1 3.93Å; F88-F300 HydrophobicContact CZ-CE1 3.93Å; F88-F300 AromaticContact CZ-CZ 3.55Å; F88-F300 HydrophobicContact CZ-CZ 3.55Å; K91-F300 HydrophobicContact CB-CD1 3.98Å; K91-F300 HydrophobicContact CG-CD1 4.36Å; F294-F300 HydrophobicContact CD1-CD2 4.1Å; F294-F300 HydrophobicContact CD1-CE2 4.27Å; F294-F300 AromaticContact CE1-CD2 3.86Å; F294-F300 HydrophobicContact CE1-CD2 3.86Å; F294-F300 AromaticContact CE1-CE2 3.64Å; F294-F300 HydrophobicContact CE1-CE2 3.64Å; F294-F300 HydrophobicContact CE1-CZ 4.31Å; G296-F300 WeakPolarHBondContact O-CD2 3.35Å; G296-F300 PolarHBondContact O-N 2.66Å; F297-F300 PolarHBondContact O-N 2.69Å; F300-P304 WeakPolarHBondContact O-CG 3.43Å
301	F	78.6	Confident	81.4	Confident	32 Å²	32	58.1 Å²	58.1	14%	0.14	31%	0.31	C	S	.	.	I	π-helix	trans	-115.2	-34.7	-168.4	-67.3	-89.2	0	0	0	114.4	P87 I90 Y291 F297 I305	P87-F301 HydrophobicContact CB-CE2 3.86Å; P87-F301 HydrophobicContact CB-CZ 4.02Å; P87-F301 HydrophobicContact CG-CE2 3.86Å; P87-F301 HydrophobicContact CG-CZ 3.82Å; I90-F301 HydrophobicContact CD1-CD1 4.17Å; I90-F301 HydrophobicContact CD1-CE1 3.6Å; I90-F301 HydrophobicContact CD1-CZ 4.49Å; Y291-F301 HydrophobicContact CD1-CE2 4.03Å; Y291-F301 AromaticContact CD1-CZ 3.75Å; Y291-F301 HydrophobicContact CD1-CZ 3.75Å; Y291-F301 HydrophobicContact CD2-CZ 4.03Å; Y291-F301 HydrophobicContact CE1-CZ 4.27Å; Y291-F301 HydrophobicContact CG-CE1 4.48Å; Y291-F301 AromaticContact CG-CE2 4Å; Y291-F301 HydrophobicContact CG-CE2 4Å; Y291-F301 AromaticContact CG-CZ 3.62Å; Y291-F301 HydrophobicContact CG-CZ 3.62Å; F297-F301 HydrophobicContact CD2-CB 4.23Å; F297-F301 AromaticContact CD2-CD2 3.36Å; F297-F301 HydrophobicContact CD2-CD2 3.36Å; F297-F301 AromaticContact CD2-CE2 3.9Å; F297-F301 HydrophobicContact CD2-CE2 3.9Å; F297-F301 AromaticContact CD2-CG 3.98Å; F297-F301 HydrophobicContact CD2-CG 3.98Å; F297-F301 HydrophobicContact CE2-CB 3.84Å; F297-F301 HydrophobicContact CE2-CD1 4.45Å; F297-F301 AromaticContact CE2-CD2 3.59Å; F297-F301 HydrophobicContact CE2-CD2 3.59Å; F297-F301 HydrophobicContact CE2-CE2 4.21Å; F297-F301 AromaticContact CE2-CG 3.72Å; F297-F301 HydrophobicContact CE2-CG 3.72Å; F297-F301 HydrophobicContact CG-CD2 4.26Å; F297-F301 HydrophobicContact CZ-CB 4.12Å; F297-F301 HydrophobicContact CZ-CG 4.47Å; F297-F301 WeakPolarHBondContact O-CB 3.43Å; F297-F301 WeakPolarHBondContact O-CD2 3.44Å; F297-F301 PolarHBondContact O-N 2.89Å; F301-I305 WeakPolarHBondContact O-CD1 3.44Å; F301-I305 VanDerWaalsContact O-CG1 3.23Å; F301-I305 WeakPolarHBondContact O-CG1 3.2Å
302	L	82.1	Confident	81.9	Confident	0 Å²	0	56.8 Å²	56.8	0%	0	31%	0.305	C	S	.	.	I	π-helix	trans	-103.2	-41.6	-169.4	-60.5	-170.2	0	0	0	113.9	R279 A282 K283 F297 D298 I305 T306	R279-L302 HydrophobicContact CG-CB 3.94Å; R279-L302 HydrophobicContact CG-CD1 4Å; R279-L302 HydrophobicContact CG-CD2 4.3Å; R279-L302 HydrophobicContact CG-CG 4.31Å; R279-L302 PolarHBondContact NH1-O 2.58Å; A282-L302 HydrophobicContact CB-CD2 3.82Å; K283-L302 HydrophobicContact CB-CD1 3.91Å; K283-L302 HydrophobicContact CB-CD2 4.41Å; K283-L302 HydrophobicContact CD-CD1 3.78Å; K283-L302 HydrophobicContact CG-CD1 4.08Å; F297-L302 HydrophobicContact CD1-CD1 4.41Å; F297-L302 HydrophobicContact CE1-CD1 3.91Å; F297-L302 HydrophobicContact CE1-CD2 4.22Å; F297-L302 HydrophobicContact CE1-CG 3.93Å; F297-L302 HydrophobicContact CZ-CD2 4.39Å; F297-L302 HydrophobicContact CZ-CG 4.48Å; D298-L302 HydrophobicContact CB-CD1 4.45Å; D298-L302 CarbonylContact O-C 3.57Å; D298-L302 WeakPolarHBondContact O-CA 3.35Å; D298-L302 WeakPolarHBondContact O-CB 3.33Å; D298-L302 PolarHBondContact O-N 2.68Å; L302-I305 HydrophobicContact CD2-CD1 4.47Å; L302-I305 PolarHBondContact O-N 2.74Å; L302-T306 PolarHBondContact O-N 3.14Å; L302-T306 PolarHBondContact O-OG1 2.85Å
303	D	82.7	Confident	82.5	Confident	52 Å²	52	53 Å²	53	28%	0.278	30%	0.295	S	S	.	.	H	α-helix	trans	-60.8	-42.6	175.2	-63.1	-12.5	0	0	0	111.4	R279 D298 W299 I305 T306 S307	R279-D303 IonicContact CZ-OD1 3.76Å; R279-D303 IonicContact NH1-OD1 2.72Å; R279-D303 PolarHBondContact NH1-OD1 3.22Å; R279-D303 IonicContact NH2-OD1 3.18Å; R279-D303 PolarHBondContact NH2-OD1 3.06Å; D298-D303 PolarHBondContact O-N 2.66Å; W299-D303 WeakPolarHBondContact CA-OD2 3.34Å; D303-I305 VanDerWaalsContact C-N 3.31Å; D303-I305 PolarHBondContact O-N 2.68Å; D303-T306 CarbonylContact O-C 3.6Å; D303-T306 WeakPolarHBondContact O-CB 3.43Å; D303-T306 PolarHBondContact O-N 2.87Å; D303-T306 VanDerWaalsContact O-N 3.13Å; D303-S307 WeakPolarHBondContact O-CB 3.41Å; D303-S307 PolarHBondContact O-N 3.41Å; D303-S307 PolarHBondContact O-OG 3.41Å; D303-S307 VanDerWaalsContact O-OG 3.13Å
304	P	79.4	Confident	83.2	Confident	9 Å²	9	43.6 Å²	43.6	6%	0.058	26%	0.258	C	S	.	.	H	α-helix	trans	-63.2	-33.2	177.7	-25.1	38.7	0	0	0	113.9	K91 Q97 W299 F300 S308	K91-P304 HydrophobicContact CD-CG 3.51Å; Q97-P304 VanDerWaalsContact NE2-C 3.31Å; Q97-P304 PolarHBondContact NE2-O 2.75Å; Q97-P304 VanDerWaalsContact NE2-O 3.15Å; W299-P304 WeakPolarHBondContact O-CD 3.48Å; F300-P304 WeakPolarHBondContact O-CG 3.43Å; P304-S308 VanDerWaalsContact O-CB 3.31Å; P304-S308 WeakPolarHBondContact O-CB 3.45Å; P304-S308 PolarHBondContact O-N 3.37Å; P304-S308 PolarHBondContact O-OG 3.1Å
305	I	79	Confident	83.9	Confident	9 Å²	9	43 Å²	43	5%	0.046	26%	0.256	C	S	.	.	H	α-helix	trans	-62.5	-49.7	173.3	-56.1	171.3	0	0	0	109.2	I101 I278 A282 F301 L302 D303 S307 S308 I310	I101-I305 HydrophobicContact CD1-CB 4.48Å; I101-I305 HydrophobicContact CD1-CG1 4Å; I101-I305 HydrophobicContact CD1-CG2 4.05Å; I278-I305 HydrophobicContact CG1-CG2 4.42Å; I278-I305 HydrophobicContact CG2-CG2 3.59Å; A282-I305 HydrophobicContact CB-CD1 3.86Å; F301-I305 WeakPolarHBondContact O-CD1 3.44Å; F301-I305 VanDerWaalsContact O-CG1 3.23Å; F301-I305 WeakPolarHBondContact O-CG1 3.2Å; L302-I305 HydrophobicContact CD2-CD1 4.47Å; L302-I305 PolarHBondContact O-N 2.74Å; D303-I305 VanDerWaalsContact C-N 3.31Å; D303-I305 PolarHBondContact O-N 2.68Å; I305-S307 PolarHBondContact O-N 2.9Å; I305-S308 PolarHBondContact O-N 3.17Å; I305-I310 HydrophobicContact CG2-CB 4.05Å; I305-I310 HydrophobicContact CG2-CG2 4.34Å; I305-I310 PolarHBondContact O-N 3.06Å
306	T	78.4	Confident	84.5	Confident	57 Å²	57	42 Å²	42	35%	0.35	24%	0.242	S	C	.	.	H	α-helix	trans	-60.4	-44.9	179.1	-44.3	0	0	0	0	111.6	R279 L302 D303 S308 G309	R279-T306 PolarHBondContact NH1-OG1 2.76Å; L302-T306 PolarHBondContact O-N 3.14Å; L302-T306 PolarHBondContact O-OG1 2.85Å; D303-T306 CarbonylContact O-C 3.6Å; D303-T306 WeakPolarHBondContact O-CB 3.43Å; D303-T306 PolarHBondContact O-N 2.87Å; D303-T306 VanDerWaalsContact O-N 3.13Å; T306-S308 VanDerWaalsContact C-N 3.33Å; T306-S308 PolarHBondContact O-N 3.19Å; T306-G309 PolarHBondContact O-N 3.33Å
307	S	77.3	Confident	85.3	Confident	108 Å²	108	41.1 Å²	41.1	76%	0.755	23%	0.228	S	C	*	.	H	α-helix	trans	-70.1	-24.9	177.4	-60.7	0	0	0	0	113.8	D303 I305 G309	D303-S307 WeakPolarHBondContact O-CB 3.41Å; D303-S307 PolarHBondContact O-N 3.41Å; D303-S307 PolarHBondContact O-OG 3.41Å; D303-S307 VanDerWaalsContact O-OG 3.13Å; I305-S307 PolarHBondContact O-N 2.9Å; S307-G309 PolarHBondContact O-N 2.94Å
308	S	76.4	Confident	85.9	Confident	56 Å²	56	40.7 Å²	40.7	39%	0.392	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.8	2.4	173.8	-57.2	0	0	0	0	112.8	Q97 P304 I305 T306 I310	Q97-S308 PolarHBondContact NE2-OG 3.21Å; Q97-S308 VanDerWaalsContact NE2-OG 3.09Å; P304-S308 VanDerWaalsContact O-CB 3.31Å; P304-S308 WeakPolarHBondContact O-CB 3.45Å; P304-S308 PolarHBondContact O-N 3.37Å; P304-S308 PolarHBondContact O-OG 3.1Å; I305-S308 PolarHBondContact O-N 3.17Å; T306-S308 VanDerWaalsContact C-N 3.33Å; T306-S308 PolarHBondContact O-N 3.19Å; S308-I310 PolarHBondContact O-N 3.46Å
309	G	81.9	Confident	86.6	Confident	47 Å²	47	41.9 Å²	41.9	49%	0.485	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	73.7	11.2	-177.8	0	0	0	0	0	114.3	T306 S307	T306-G309 PolarHBondContact O-N 3.33Å; S307-G309 PolarHBondContact O-N 2.94Å
310	I	85.7	Confident	87.2	Confident	10 Å²	10	39.8 Å²	39.8	5%	0.051	22%	0.224	C	C	.	.			trans	-94.4	122.9	177	-51.3	169.8	0	0	0	107.8	I101 F102 E217 I278 I305 S308 F312	I101-I310 HydrophobicContact CD1-CD1 3.64Å; I101-I310 HydrophobicContact CG2-CG2 4.4Å; F102-I310 HydrophobicContact CE2-CD1 3.84Å; F102-I310 HydrophobicContact CZ-CD1 3.63Å; F102-I310 HydrophobicContact CZ-CG1 4.14Å; E217-I310 WeakPolarHBondContact OE2-CA 3.2Å; I278-I310 HydrophobicContact CG2-CG2 4.3Å; I305-I310 HydrophobicContact CG2-CB 4.05Å; I305-I310 HydrophobicContact CG2-CG2 4.34Å; I305-I310 PolarHBondContact O-N 3.06Å; S308-I310 PolarHBondContact O-N 3.46Å; I310-F312 HydrophobicContact CG2-CD2 3.79Å; I310-F312 HydrophobicContact CG2-CE2 3.64Å
311	K	89.4	Confident	87.8	Confident	121 Å²	121	39.1 Å²	39.1	53%	0.526	22%	0.221	S	C	.	.			trans	-137.7	-46.8	-173	-63.4	-177.6	-179.5	-179.3	0	111.9	E217 I278 A313	E217-K311 PolarHBondContact OE2-N 3.29Å; I278-K311 WeakPolarHBondContact CB-O 3.47Å; I278-K311 VanDerWaalsContact CG2-O 3.28Å; I278-K311 WeakPolarHBondContact CG2-O 3.42Å; I278-K311 PolarHBondContact N-O 3.3Å; K311-A313 VanDerWaalsContact C-N 3.28Å; K311-A313 HydrophobicContact CB-CB 4.44Å; K311-A313 PolarHBondContact O-N 2.84Å
312	F	92.4	Very high	88.6	Confident	0 Å²	0	39.7 Å²	39.7	0%	0	23%	0.229	C	C	.	.			trans	40.8	57	-171	-66.8	-65.4	0	0	0	111.7	F102 E217 M220 L247 V251 F275 I278 I310 N314	F102-F312 AromaticContact CE1-CE2 3.95Å; F102-F312 HydrophobicContact CE1-CE2 3.95Å; F102-F312 HydrophobicContact CE1-CZ 4.03Å; E217-F312 HydrophobicContact CB-CD1 4.47Å; E217-F312 HydrophobicContact CB-CE1 3.88Å; E217-F312 HydrophobicContact CB-CE2 4.34Å; E217-F312 HydrophobicContact CB-CZ 3.82Å; E217-F312 VanDerWaalsContact CD-N 3.26Å; E217-F312 HydrophobicContact CG-CD1 3.78Å; E217-F312 HydrophobicContact CG-CE1 3.55Å; E217-F312 HydrophobicContact CG-CG 4.44Å; E217-F312 HydrophobicContact CG-CZ 4.02Å; E217-F312 VanDerWaalsContact OE1-CA 3.32Å; E217-F312 WeakPolarHBondContact OE1-CA 3.37Å; E217-F312 PolarHBondContact OE1-N 2.75Å; E217-F312 PolarHBondContact OE2-N 3.45Å; M220-F312 HydrophobicContact CE-CZ 4.28Å; M220-F312 HydrophobicContact SD-CZ 3.9Å; L247-F312 HydrophobicContact CD1-CD2 3.89Å; L247-F312 HydrophobicContact CD1-CE2 3.61Å; L247-F312 HydrophobicContact CD1-CZ 4.08Å; V251-F312 HydrophobicContact CG2-CE1 4.01Å; F275-F312 HydrophobicContact CE2-CB 3.72Å; F275-F312 WeakPolarHBondContact CE2-O 3.49Å; F275-F312 HydrophobicContact CZ-CB 3.74Å; F275-F312 HydrophobicContact CZ-CG 4.42Å; I278-F312 HydrophobicContact CB-CD2 4.35Å; I278-F312 HydrophobicContact CD1-CD2 4.38Å; I278-F312 HydrophobicContact CG1-CD2 4.4Å; I310-F312 HydrophobicContact CG2-CD2 3.79Å; I310-F312 HydrophobicContact CG2-CE2 3.64Å; F312-N314 PolarHBondContact O-N 2.9Å
313	A	94.2	Very high	89.3	Confident	21 Å²	21	39.8 Å²	39.8	17%	0.174	23%	0.23	C	C	.	.			trans	-78.3	68.3	-168	0	0	0	0	0	111.8	K311 D315 E316 N317	K311-A313 VanDerWaalsContact C-N 3.28Å; K311-A313 HydrophobicContact CB-CB 4.44Å; K311-A313 PolarHBondContact O-N 2.84Å; A313-D315 PolarHBondContact O-N 2.87Å; A313-E316 HydrophobicContact CB-CB 4.13Å; A313-E316 HydrophobicContact CB-CG 4.32Å; A313-E316 PolarHBondContact O-N 3.24Å; A313-N317 WeakPolarHBondContact O-CB 3.46Å; A313-N317 VanDerWaalsContact O-CG 3.24Å; A313-N317 PolarHBondContact O-N 2.98Å; A313-N317 PolarHBondContact O-ND2 3.11Å
314	N	95.9	Very high	90	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-53.5	-41.5	175	-65.3	-33	0	0	0	110.7	T249 G250 T253 F275 T276 F312 E316 N317 V318 L344	T249-N314 PolarHBondContact O-OD1 3.01Å; T249-N314 PolarHBondContact OG1-ND2 3.14Å; G250-N314 VanDerWaalsContact CA-OD1 3.24Å; G250-N314 WeakPolarHBondContact CA-OD1 3.3Å; G250-N314 PolarHBondContact N-OD1 3.45Å; T253-N314 WeakPolarHBondContact CB-OD1 3.45Å; T253-N314 HydrophobicContact CG2-CB 4.05Å; T253-N314 WeakPolarHBondContact CG2-OD1 3.09Å; T253-N314 PolarHBondContact OG1-OD1 2.77Å; F275-N314 WeakPolarHBondContact O-CB 3.29Å; F275-N314 PolarHBondContact O-ND2 2.97Å; T276-N314 WeakPolarHBondContact O-CA 3.35Å; T276-N314 VanDerWaalsContact O-CB 3.31Å; T276-N314 WeakPolarHBondContact O-CB 3.25Å; T276-N314 PolarHBondContact O-N 2.94Å; F312-N314 PolarHBondContact O-N 2.9Å; N314-E316 PolarHBondContact O-N 3.32Å; N314-N317 PolarHBondContact O-N 2.89Å; N314-V318 WeakPolarHBondContact O-CG1 3.45Å; N314-V318 WeakPolarHBondContact O-CG2 3.16Å; N314-V318 PolarHBondContact O-N 2.96Å; N314-L344 HydrophobicContact CB-CD1 3.82Å; N314-L344 HydrophobicContact CB-CD2 4Å
315	D	96.6	Very high	90.9	Very high	16 Å²	16	38.4 Å²	38.4	9%	0.086	22%	0.224	C	C	.	.	H	α-helix	trans	-59.8	-37.8	178.3	51.9	5.1	0	0	0	114.5	T276 N277 A313 K319 L344 I347	T276-D315 HydrophobicContact CG2-CB 4.29Å; T276-D315 VanDerWaalsContact O-CG 3.29Å; T276-D315 PolarHBondContact O-N 2.82Å; N277-D315 PolarHBondContact ND2-OD2 3.11Å; A313-D315 PolarHBondContact O-N 2.87Å; D315-K319 WeakPolarHBondContact O-CE 3.22Å; D315-L344 HydrophobicContact CB-CD1 4.43Å; D315-I347 HydrophobicContact CB-CD1 3.91Å; D315-I347 WeakPolarHBondContact O-CG2 3.34Å
316	E	96.5	Very high	91.8	Very high	93 Å²	93	38 Å²	38	44%	0.435	22%	0.222	S	C	.	.	H	α-helix	trans	-79.4	-42.9	171.2	-63.5	-54.5	131.9	0	0	112.1	A313 N314 V318 K319 H320	A313-E316 HydrophobicContact CB-CB 4.13Å; A313-E316 HydrophobicContact CB-CG 4.32Å; A313-E316 PolarHBondContact O-N 3.24Å; N314-E316 PolarHBondContact O-N 3.32Å; E316-V318 PolarHBondContact O-N 2.71Å; E316-K319 WeakPolarHBondContact O-CB 3.38Å; E316-K319 PolarHBondContact O-N 3.32Å; E316-K319 IonicContact OE1-NZ 3.97Å; E316-K319 PolarHBondContact OE1-NZ 3.47Å; E316-K319 IonicContact OE2-NZ 2.71Å; E316-K319 PolarHBondContact OE2-NZ 2.83Å; E316-H320 PolarHBondContact O-CD2 3.5Å
317	N	97.1	Very high	92.8	Very high	21 Å²	21	35.2 Å²	35.2	11%	0.112	21%	0.205	C	C	.	.	H	α-helix	trans	-61.8	-41.3	-177.1	-73.2	-24.7	0	0	0	112.7	T253 N254 R257 A313 N314 K319 H320 I321	T253-N317 PolarHBondContact OG1-ND2 2.85Å; N254-N317 PolarHBondContact N-ND2 2.9Å; N254-N317 PolarHBondContact OD1-ND2 2.69Å; R257-N317 HydrophobicContact CB-CB 4.45Å; A313-N317 WeakPolarHBondContact O-CB 3.46Å; A313-N317 VanDerWaalsContact O-CG 3.24Å; A313-N317 PolarHBondContact O-N 2.98Å; A313-N317 PolarHBondContact O-ND2 3.11Å; N314-N317 PolarHBondContact O-N 2.89Å; N317-K319 PolarHBondContact O-N 2.9Å; N317-H320 CarbonylContact O-C 3.49Å; N317-H320 WeakPolarHBondContact O-CA 3.28Å; N317-H320 WeakPolarHBondContact O-CB 3.49Å; N317-H320 PolarHBondContact O-N 3.37Å; N317-I321 WeakPolarHBondContact O-CG1 3.32Å; N317-I321 PolarHBondContact O-N 3.29Å
318	V	96.4	Very high	93.8	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	17%	0.169	C	C	.	.	G	3₁₀ helix	trans	-62.7	-25.6	-178.8	-66.4	0	0	0	0	113.1	T253 N314 E316 H320 L325 L344 I347 A348 S353 F354	T253-V318 HydrophobicContact CG2-CG1 4.32Å; N314-V318 WeakPolarHBondContact O-CG1 3.45Å; N314-V318 WeakPolarHBondContact O-CG2 3.16Å; N314-V318 PolarHBondContact O-N 2.96Å; E316-V318 PolarHBondContact O-N 2.71Å; V318-H320 PolarHBondContact O-N 3.36Å; V318-L325 HydrophobicContact CG1-CD2 4.23Å; V318-L344 HydrophobicContact CB-CD1 4.48Å; V318-L344 HydrophobicContact CG1-CD1 3.92Å; V318-L344 HydrophobicContact CG1-CG 4.36Å; V318-L344 HydrophobicContact CG2-CD1 3.77Å; V318-I347 HydrophobicContact CG2-CB 4.49Å; V318-I347 HydrophobicContact CG2-CG2 4.03Å; V318-A348 HydrophobicContact CB-CB 3.99Å; V318-A348 HydrophobicContact CG2-CB 3.97Å; V318-S353 PolarHBondContact O-OG 3.45Å; V318-F354 HydrophobicContact CB-CE2 4.14Å; V318-F354 HydrophobicContact CB-CZ 4.48Å; V318-F354 WeakPolarHBondContact O-CE2 3.06Å
319	K	95.4	Very high	94.9	Very high	76 Å²	76	27.4 Å²	27.4	33%	0.33	15%	0.15	S	C	.	.	G	3₁₀ helix	trans	-65.5	-7.5	174.8	-53.1	173.8	-168.5	170.1	0	113.5	D315 E316 N317 I347 S353	D315-K319 WeakPolarHBondContact O-CE 3.22Å; E316-K319 WeakPolarHBondContact O-CB 3.38Å; E316-K319 PolarHBondContact O-N 3.32Å; E316-K319 IonicContact OE1-NZ 3.97Å; E316-K319 PolarHBondContact OE1-NZ 3.47Å; E316-K319 IonicContact OE2-NZ 2.71Å; E316-K319 PolarHBondContact OE2-NZ 2.83Å; N317-K319 PolarHBondContact O-N 2.9Å; K319-I347 HydrophobicContact CG-CG2 3.97Å; K319-S353 PolarHBondContact O-OG 3.33Å
320	H	94.6	Very high	95.7	Very high	93 Å²	93	25.2 Å²	25.2	43%	0.431	13%	0.127	S	C	.	.	G	3₁₀ helix	trans	-138.2	13.7	-163.2	-68.7	-46.3	0	0	0	113	R257 E316 N317 V318	R257-H320 PolarHBondContact NH1-O 3.41Å; R257-H320 VanDerWaalsContact NH1-O 3.14Å; E316-H320 PolarHBondContact O-CD2 3.5Å; N317-H320 CarbonylContact O-C 3.49Å; N317-H320 WeakPolarHBondContact O-CA 3.28Å; N317-H320 WeakPolarHBondContact O-CB 3.49Å; N317-H320 PolarHBondContact O-N 3.37Å; V318-H320 PolarHBondContact O-N 3.36Å
321	I	94.3	Very high	96.3	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	14%	0.141	C	C	.	.			trans	-104	134.2	176	-73.8	171.9	0	0	0	109.5	T253 V256 L269 N317 C323 S353 F354	T253-I321 HydrophobicContact CG2-CD1 4.3Å; V256-I321 HydrophobicContact CB-CD1 4.07Å; V256-I321 HydrophobicContact CB-CG1 4.29Å; V256-I321 HydrophobicContact CG1-CB 4.3Å; V256-I321 HydrophobicContact CG1-CD1 4.05Å; V256-I321 HydrophobicContact CG1-CG1 3.87Å; V256-I321 HydrophobicContact CG1-CG2 3.58Å; L269-I321 HydrophobicContact CD2-CD1 3.81Å; N317-I321 WeakPolarHBondContact O-CG1 3.32Å; N317-I321 PolarHBondContact O-N 3.29Å; I321-C323 VanDerWaalsContact CG2-SG 3.53Å; I321-S353 CarbonylContact O-C 3.6Å; I321-S353 WeakPolarHBondContact O-CB 3.28Å; I321-S353 PolarHBondContact O-OG 2.7Å; I321-F354 HydrophobicContact CB-CE1 4.29Å; I321-F354 HydrophobicContact CB-CZ 3.91Å; I321-F354 HydrophobicContact CG2-CE1 3.78Å; I321-F354 HydrophobicContact CG2-CZ 3.81Å
322	S	94.3	Very high	96.6	Very high	44 Å²	44	24.2 Å²	24.2	31%	0.308	13%	0.126	S	C	.	.			trans	-124.2	63.2	-174.4	-56.6	0	0	0	0	110.7	C260 P265 F357	C260-S322 PolarHBondContact SG-N 2.87Å; C260-S322 VanDerWaalsContact SG-N 3.37Å; P265-S322 WeakPolarHBondContact CB-O 3.03Å; S322-F357 WeakPolarHBondContact O-CZ 3.5Å
323	C	96.6	Very high	96.8	Very high	2 Å²	2	25 Å²	25	1%	0.014	13%	0.13	C	C	.	.	S	Bend	trans	-151.8	169.2	173.9	70	0	0	0	0	109.4	P266 I321 F354	P266-C323 HydrophobicContact CG-CB 4.4Å; P266-C323 WeakPolarHBondContact O-CB 3.44Å; I321-C323 VanDerWaalsContact CG2-SG 3.53Å; C323-F354 VanDerWaalsContact O-CD1 3.24Å; C323-F354 WeakPolarHBondContact O-CD1 3.47Å; C323-F354 WeakPolarHBondContact O-CE1 3.39Å
324	P	97.9	Very high	96.7	Very high	32 Å²	32	26.9 Å²	26.9	21%	0.208	14%	0.14	C	C	.	.			trans	-56.1	139.5	167.7	-23.2	34.6	0	0	0	111.7	D267 A268 L269 F357 K358 F388	D267-P324 VanDerWaalsContact O-CD 3.26Å; D267-P324 WeakPolarHBondContact O-CD 3.44Å; D267-P324 WeakPolarHBondContact O-CG 3.31Å; A268-P324 HydrophobicContact CB-CB 4.22Å; L269-P324 PolarHBondContact N-O 2.87Å; P324-F357 HydrophobicContact CG-CD1 4.24Å; P324-K358 CarbonylContact C-O 3.31Å; P324-K358 WeakPolarHBondContact CA-O 3.48Å; P324-F388 HydrophobicContact CB-CE1 4.21Å; P324-F388 HydrophobicContact CB-CE2 4.34Å; P324-F388 HydrophobicContact CB-CZ 3.6Å
325	L	98.6	Very high	96.4	Very high	0 Å²	0	29 Å²	29	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	119.7	177.4	171.2	60.4	0	0	0	112.1	L269 L271 V318 I327 A348 F354 K358 V359 Q360	L269-L325 HydrophobicContact CB-CD1 4.28Å; L269-L325 HydrophobicContact CD2-CD1 4.08Å; L269-L325 HydrophobicContact CG-CD1 3.94Å; L269-L325 CarbonylContact O-C 3.47Å; L269-L325 WeakPolarHBondContact O-CA 3.34Å; L271-L325 HydrophobicContact CD1-CD1 3.83Å; L271-L325 HydrophobicContact CG-CD1 3.87Å; V318-L325 HydrophobicContact CG1-CD2 4.23Å; L325-I327 HydrophobicContact CD1-CG1 4.13Å; L325-I327 HydrophobicContact CD2-CD1 4.27Å; L325-I327 HydrophobicContact CG-CD1 4.5Å; L325-I327 HydrophobicContact CG-CG1 4.25Å; L325-A348 HydrophobicContact CD2-CB 3.78Å; L325-F354 HydrophobicContact CB-CD1 4.44Å; L325-F354 HydrophobicContact CB-CE1 3.64Å; L325-F354 HydrophobicContact CB-CZ 3.91Å; L325-F354 HydrophobicContact CD2-CE1 4.18Å; L325-F354 HydrophobicContact CD2-CE2 4.05Å; L325-F354 HydrophobicContact CD2-CZ 3.54Å; L325-F354 HydrophobicContact CG-CZ 4.36Å; L325-K358 PolarHBondContact N-O 3.45Å; L325-V359 HydrophobicContact CB-CG1 4.29Å; L325-V359 HydrophobicContact CD2-CG1 4.19Å; L325-V359 HydrophobicContact CG-CG1 4.3Å; L325-V359 CarbonylContact O-C 3.55Å; L325-V359 VanDerWaalsContact O-CA 3.31Å; L325-V359 WeakPolarHBondContact O-CA 3.42Å; L325-Q360 PolarHBondContact O-N 3.15Å
326	L	98.8	Very high	96.2	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	129.9	168.8	177.7	62	0	0	0	109.9	L269 I270 L271 L328 Q360 V362 I384 L385 F388	L269-L326 PolarHBondContact O-N 3.44Å; I270-L326 CarbonylContact C-O 3.52Å; I270-L326 WeakPolarHBondContact CA-O 3.44Å; I270-L326 HydrophobicContact CG1-CB 4.28Å; I270-L326 HydrophobicContact CG1-CD2 4.34Å; I270-L326 HydrophobicContact CG2-CD2 4.2Å; I270-L326 HydrophobicContact CG2-CG 4.43Å; L271-L326 PolarHBondContact N-O 3.18Å; L326-L328 HydrophobicContact CD1-CD2 3.92Å; L326-L328 HydrophobicContact CD2-CD2 3.99Å; L326-L328 HydrophobicContact CD2-CG 4.34Å; L326-L328 HydrophobicContact CG-CD2 3.87Å; L326-L328 HydrophobicContact CG-CG 4.18Å; L326-Q360 CarbonylContact C-O 3.58Å; L326-Q360 WeakPolarHBondContact CA-O 3.43Å; L326-Q360 HydrophobicContact CD1-CB 4.08Å; L326-Q360 HydrophobicContact CD1-CG 4.03Å; L326-V362 HydrophobicContact CD1-CG2 3.89Å; L326-I384 HydrophobicContact CD1-CG2 4.33Å; L326-I384 HydrophobicContact CD2-CG2 4.12Å; L326-L385 HydrophobicContact CD2-CD2 4.09Å; L326-F388 HydrophobicContact CB-CD1 3.7Å; L326-F388 HydrophobicContact CB-CD2 3.94Å; L326-F388 HydrophobicContact CB-CE1 3.54Å; L326-F388 HydrophobicContact CB-CE2 3.8Å; L326-F388 HydrophobicContact CB-CG 3.92Å; L326-F388 HydrophobicContact CB-CZ 3.61Å; L326-F388 HydrophobicContact CD1-CD2 4.23Å; L326-F388 HydrophobicContact CD1-CG 4.33Å; L326-F388 HydrophobicContact CD2-CB 4.2Å; L326-F388 HydrophobicContact CD2-CD1 3.9Å; L326-F388 HydrophobicContact CD2-CG 3.96Å; L326-F388 HydrophobicContact CG-CD1 4.35Å; L326-F388 HydrophobicContact CG-CD2 4.49Å; L326-F388 HydrophobicContact CG-CG 4.3Å; L326-F388 VanDerWaalsContact N-CZ 3.32Å
327	I	98.8	Very high	96.1	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	128.4	170.5	-64.1	165.6	0	0	0	108.8	L271 P274 L325 L344 Y345 Q360 F361 V362	L271-I327 HydrophobicContact CB-CG1 4.28Å; L271-I327 HydrophobicContact CD1-CG1 4.42Å; L271-I327 WeakPolarHBondContact O-CA 3.37Å; P274-I327 HydrophobicContact CG-CG2 3.65Å; L325-I327 HydrophobicContact CD1-CG1 4.13Å; L325-I327 HydrophobicContact CD2-CD1 4.27Å; L325-I327 HydrophobicContact CG-CD1 4.5Å; L325-I327 HydrophobicContact CG-CG1 4.25Å; I327-L344 HydrophobicContact CD1-CD2 4.5Å; I327-L344 HydrophobicContact CD1-CG 4.44Å; I327-Y345 HydrophobicContact CD1-CD2 4.5Å; I327-Q360 PolarHBondContact N-O 3.09Å; I327-F361 HydrophobicContact CB-CD2 3.76Å; I327-F361 HydrophobicContact CB-CE2 4.42Å; I327-F361 HydrophobicContact CG2-CD2 3.4Å; I327-F361 VanDerWaalsContact CG2-CD2 3.4Å; I327-F361 HydrophobicContact CG2-CE2 3.56Å; I327-V362 PolarHBondContact O-N 3.37Å
328	L	98.8	Very high	96	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	124.6	176.6	-57.5	-177.9	0	0	0	108.6	W243 I270 L271 E272 S273 L326 V362 F364 I375 L381 I384	W243-L328 HydrophobicContact CH2-CD1 4.1Å; W243-L328 HydrophobicContact CZ2-CD1 4.01Å; I270-L328 HydrophobicContact CG2-CD1 4.2Å; I270-L328 HydrophobicContact CG2-CG 4.48Å; L271-L328 PolarHBondContact O-N 3.45Å; E272-L328 WeakPolarHBondContact CA-O 3.37Å; S273-L328 PolarHBondContact N-O 2.86Å; L326-L328 HydrophobicContact CD1-CD2 3.92Å; L326-L328 HydrophobicContact CD2-CD2 3.99Å; L326-L328 HydrophobicContact CD2-CG 4.34Å; L326-L328 HydrophobicContact CG-CD2 3.87Å; L326-L328 HydrophobicContact CG-CG 4.18Å; L328-V362 HydrophobicContact CD2-CB 3.86Å; L328-V362 HydrophobicContact CD2-CG2 4.23Å; L328-F364 HydrophobicContact CB-CE2 4.21Å; L328-F364 HydrophobicContact CD2-CE2 4.21Å; L328-F364 HydrophobicContact CD2-CZ 4.44Å; L328-I375 HydrophobicContact CB-CD1 4.34Å; L328-I375 HydrophobicContact CD1-CG2 4.29Å; L328-L381 HydrophobicContact CD1-CD1 3.84Å; L328-I384 HydrophobicContact CD2-CG2 4.19Å
329	H	98.6	Very high	96	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149	129	177.1	-148.7	148.7	0	0	0	111.2	P274 D333 V336 F338 F361 V362 P363 F364	P274-H329 PolarHBondContact O-CE1 3.42Å; H329-D333 IonicContact CD2-OD2 3.74Å; H329-D333 IonicContact NE2-OD2 2.91Å; H329-D333 PolarHBondContact NE2-OD2 3.01Å; H329-V336 PolarHBondContact NE2-O 3.32Å; H329-F338 HydrophobicContact CB-CD2 3.88Å; H329-F338 HydrophobicContact CB-CE2 4.21Å; H329-F338 AromaticContact CG-CD2 3.91Å; H329-F361 HydrophobicContact CB-CE2 4.23Å; H329-F361 HydrophobicContact CB-CZ 4.12Å; H329-V362 PolarHBondContact N-O 3.17Å; H329-P363 WeakPolarHBondContact O-CA 3.31Å; H329-F364 PolarHBondContact O-N 3.05Å
330	A	98.2	Very high	96	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	141.9	171.3	0	0	0	0	0	111.4	D332 D333 F364 R371 I375	A330-D332 VanDerWaalsContact C-N 3.28Å; A330-D332 WeakPolarHBondContact CB-OD1 3.47Å; A330-D332 PolarHBondContact O-N 3.11Å; A330-D333 WeakPolarHBondContact O-CB 3.44Å; A330-D333 PolarHBondContact O-N 2.85Å; A330-F364 HydrophobicContact CB-CB 4.2Å; A330-R371 WeakPolarHBondContact CB-O 3.35Å; A330-I375 HydrophobicContact CB-CD1 4.38Å; A330-I375 HydrophobicContact CB-CG1 4.4Å
331	E	97.9	Very high	96.1	Very high	72 Å²	72	23.9 Å²	23.9	34%	0.336	13%	0.132	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.4	-23.9	179.9	-69.3	179.1	160.2	0	0	113.2	D333 F338 F364 H365 S366	E331-D333 VanDerWaalsContact C-N 3.32Å; E331-F338 HydrophobicContact CG-CD1 3.95Å; E331-F338 HydrophobicContact CG-CD2 4Å; E331-F338 HydrophobicContact CG-CE1 3.64Å; E331-F338 HydrophobicContact CG-CE2 3.72Å; E331-F338 HydrophobicContact CG-CG 4.1Å; E331-F338 HydrophobicContact CG-CZ 3.53Å; E331-F364 PolarHBondContact N-O 3.06Å; E331-H365 WeakPolarHBondContact OE2-CA 3.36Å; E331-H365 IonicContact OE2-CD2 2.71Å; E331-H365 PolarHBondContact OE2-CD2 3.25Å; E331-H365 IonicContact OE2-CG 3.93Å; E331-H365 IonicContact OE2-NE2 2.82Å; E331-S366 PolarHBondContact OE2-N 3.4Å; E331-S366 VanDerWaalsContact OE2-N 3.13Å
332	D	96.5	Very high	96.3	Very high	39 Å²	39	31 Å²	31	21%	0.209	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.8	15.8	178.4	71.5	-38.1	0	0	0	113.6	A330 P334 G369 Y370 R371	A330-D332 VanDerWaalsContact C-N 3.28Å; A330-D332 WeakPolarHBondContact CB-OD1 3.47Å; A330-D332 PolarHBondContact O-N 3.11Å; D332-P334 WeakPolarHBondContact O-CD 3.39Å; D332-G369 WeakPolarHBondContact OD2-CA 3.44Å; D332-Y370 PolarHBondContact OD2-N 3.47Å; D332-R371 VanDerWaalsContact CG-N 3.3Å; D332-R371 WeakPolarHBondContact OD1-CA 3.32Å; D332-R371 PolarHBondContact OD1-N 2.89Å; D332-R371 WeakPolarHBondContact OD2-CG 3.37Å; D332-R371 PolarHBondContact OD2-N 3.4Å; D332-R371 VanDerWaalsContact OD2-N 3.12Å
333	D	96.1	Very high	96.4	Very high	15 Å²	15	32.7 Å²	32.7	8%	0.08	16%	0.161	C	C	.	.			trans	-63	112.7	174.8	-171.9	-17.5	0	0	0	111.4	S273 H329 A330 E331 V335 V336 H372	S273-D333 WeakPolarHBondContact CB-OD2 3.18Å; H329-D333 IonicContact CD2-OD2 3.74Å; H329-D333 IonicContact NE2-OD2 2.91Å; H329-D333 PolarHBondContact NE2-OD2 3.01Å; A330-D333 WeakPolarHBondContact O-CB 3.44Å; A330-D333 PolarHBondContact O-N 2.85Å; E331-D333 VanDerWaalsContact C-N 3.32Å; D333-V335 WeakPolarHBondContact OD1-CA 3.43Å; D333-V335 PolarHBondContact OD1-N 3.17Å; D333-V336 WeakPolarHBondContact CB-O 3.4Å; D333-V336 PolarHBondContact OD1-N 3.04Å; D333-V336 VanDerWaalsContact OD2-O 3.14Å; D333-H372 VanDerWaalsContact CG-ND1 3.35Å; D333-H372 VanDerWaalsContact OD1-CB 3.26Å; D333-H372 WeakPolarHBondContact OD1-CB 3.31Å; D333-H372 IonicContact OD1-CG 3.02Å; D333-H372 IonicContact OD1-ND1 3.56Å; D333-H372 PolarHBondContact OD1-ND1 3.3Å; D333-H372 VanDerWaalsContact OD1-ND1 3.17Å; D333-H372 IonicContact OD2-CE1 3.64Å; D333-H372 IonicContact OD2-CG 3Å; D333-H372 IonicContact OD2-ND1 2.87Å; D333-H372 PolarHBondContact OD2-ND1 3.04Å
334	P	91.9	Very high	96.5	Very high	61 Å²	61	32.6 Å²	32.6	40%	0.396	16%	0.16	S	C	.	.	S	Bend	trans	-90.6	2.7	-178.7	39.1	-34.8	0	0	0	113.2	P286 D332	P286-P334 WeakPolarHBondContact CG-O 3.49Å; D332-P334 WeakPolarHBondContact O-CD 3.39Å
335	V	90.7	Very high	96.5	Very high	45 Å²	45	35 Å²	35	27%	0.273	17%	0.166	S	C	.	.	S	Bend	trans	-111.2	-58.3	-176	-175.5	0	0	0	0	110	H285 D333 H372	H285-V335 PolarHBondContact CD2-O 2.99Å; D333-V335 WeakPolarHBondContact OD1-CA 3.43Å; D333-V335 PolarHBondContact OD1-N 3.17Å; V335-H372 HydrophobicContact CB-CB 4.16Å; V335-H372 HydrophobicContact CG2-CB 3.88Å
336	V	92.5	Very high	96.5	Very high	1 Å²	1	38.3 Å²	38.3	1%	0.006	19%	0.189	C	C	.	.	S	Bend	trans	-110.3	108.7	179.3	-179.6	0	0	0	0	108.8	P274 F275 H329 D333 F338 L340 H372	P274-V336 WeakPolarHBondContact O-CG1 3.49Å; F275-V336 HydrophobicContact CB-CG1 3.91Å; H329-V336 PolarHBondContact NE2-O 3.32Å; D333-V336 WeakPolarHBondContact CB-O 3.4Å; D333-V336 PolarHBondContact OD1-N 3.04Å; D333-V336 VanDerWaalsContact OD2-O 3.14Å; V336-F338 PolarHBondContact O-N 3.32Å; V336-L340 HydrophobicContact CG1-CD1 4.34Å; V336-H372 VanDerWaalsContact CG2-CE1 3.48Å; V336-H372 WeakPolarHBondContact CG2-CE1 3.46Å
337	P	93.9	Very high	96.4	Very high	33 Å²	33	40.4 Å²	40.4	21%	0.214	20%	0.2	C	C	.	.			trans	-57.8	129.5	-176.1	-26.8	35.3	0	0	0	112.6	Q339 L340	P337-Q339 PolarHBondContact O-N 2.63Å; P337-L340 HydrophobicContact CB-CG 4.49Å; P337-L340 WeakPolarHBondContact O-CB 3.42Å; P337-L340 PolarHBondContact O-N 3.36Å
338	F	95.6	Very high	96.3	Very high	19 Å²	19	40.4 Å²	40.4	8%	0.083	20%	0.2	C	C	.	.	H	α-helix	trans	-49.8	-28.2	179.4	174.9	-111	0	0	0	114.4	H329 E331 V336 L340 G341 R342 F361 P363	H329-F338 HydrophobicContact CB-CD2 3.88Å; H329-F338 HydrophobicContact CB-CE2 4.21Å; H329-F338 AromaticContact CG-CD2 3.91Å; E331-F338 HydrophobicContact CG-CD1 3.95Å; E331-F338 HydrophobicContact CG-CD2 4Å; E331-F338 HydrophobicContact CG-CE1 3.64Å; E331-F338 HydrophobicContact CG-CE2 3.72Å; E331-F338 HydrophobicContact CG-CG 4.1Å; E331-F338 HydrophobicContact CG-CZ 3.53Å; V336-F338 PolarHBondContact O-N 3.32Å; F338-L340 PolarHBondContact O-N 2.92Å; F338-G341 PolarHBondContact O-N 2.83Å; F338-R342 HydrophobicContact CD1-CG 4.43Å; F338-R342 HydrophobicContact CE1-CG 4.06Å; F338-R342 HydrophobicContact CE2-CG 4.47Å; F338-R342 HydrophobicContact CZ-CG 4.07Å; F338-R342 PolarHBondContact O-N 2.93Å; F338-R342 VanDerWaalsContact O-N 3.12Å; F338-F361 HydrophobicContact CD2-CZ 4.31Å; F338-F361 AromaticContact CE2-CE1 3.91Å; F338-F361 HydrophobicContact CE2-CE1 3.91Å; F338-F361 AromaticContact CE2-CZ 3.65Å; F338-F361 HydrophobicContact CE2-CZ 3.65Å; F338-F361 HydrophobicContact CZ-CE1 4.02Å; F338-F361 HydrophobicContact CZ-CZ 4.11Å; F338-P363 HydrophobicContact CE2-CB 3.83Å; F338-P363 HydrophobicContact CZ-CB 3.73Å
339	Q	96	Very high	96.1	Very high	129 Å²	129	42.5 Å²	42.5	60%	0.603	22%	0.217	S	C	*	.	H	α-helix	trans	-62.9	-28.7	174.9	-60.8	78.1	10.4	0	0	112.7	P337 K343	P337-Q339 PolarHBondContact O-N 2.63Å; Q339-K343 WeakPolarHBondContact O-CB 3.34Å; Q339-K343 PolarHBondContact O-N 3.11Å
340	L	95.6	Very high	96	Very high	9 Å²	9	47.4 Å²	47.4	5%	0.047	25%	0.249	C	C	.	.	H	α-helix	trans	-71.8	-41.9	177.8	-57.3	-174.2	0	0	0	111.7	F275 E280 V336 P337 F338 K343 L344	F275-L340 HydrophobicContact CB-CD1 4.07Å; E280-L340 HydrophobicContact CG-CD2 3.81Å; V336-L340 HydrophobicContact CG1-CD1 4.34Å; P337-L340 HydrophobicContact CB-CG 4.49Å; P337-L340 WeakPolarHBondContact O-CB 3.42Å; P337-L340 PolarHBondContact O-N 3.36Å; F338-L340 PolarHBondContact O-N 2.92Å; L340-K343 PolarHBondContact O-N 2.91Å; L340-L344 WeakPolarHBondContact O-CB 3.05Å; L340-L344 PolarHBondContact O-N 2.89Å
341	G	96.9	Very high	95.9	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-64.4	-42.3	173.2	0	0	0	0	0	112.3	P274 F338 K343 L344 Y345	P274-G341 PolarHBondContact O-N 3.42Å; F338-G341 PolarHBondContact O-N 2.83Å; G341-K343 PolarHBondContact O-N 3.18Å; G341-L344 PolarHBondContact O-N 3.42Å; G341-Y345 PolarHBondContact O-N 3.22Å
342	R	97.6	Very high	95.7	Very high	150 Å²	150	55.8 Å²	55.8	57%	0.566	28%	0.281	S	S	*	.	H	α-helix	trans	-61.7	-40.7	172.2	-75.9	-173.4	60.8	177.9	0	112.6	F338 Y345 S346 F361	F338-R342 HydrophobicContact CD1-CG 4.43Å; F338-R342 HydrophobicContact CE1-CG 4.06Å; F338-R342 HydrophobicContact CE2-CG 4.47Å; F338-R342 HydrophobicContact CZ-CG 4.07Å; F338-R342 PolarHBondContact O-N 2.93Å; F338-R342 VanDerWaalsContact O-N 3.12Å; R342-Y345 PolarHBondContact O-N 3.12Å; R342-S346 PolarHBondContact O-N 3.12Å; R342-F361 HydrophobicContact CB-CZ 4.41Å; R342-F361 HydrophobicContact CG-CE1 3.68Å; R342-F361 HydrophobicContact CG-CE2 4.14Å; R342-F361 HydrophobicContact CG-CZ 3.43Å; R342-F361 VanDerWaalsContact CG-CZ 3.43Å
343	K	97.6	Very high	95.4	Very high	79 Å²	79	55 Å²	55	34%	0.343	28%	0.279	S	S	.	.	H	α-helix	trans	-63.7	-45.5	175.8	-177.3	178.9	173.1	-161.8	0	110.8	T276 E280 Q339 L340 G341 Y345 S346 I347	T276-K343 HydrophobicContact CG2-CB 4.09Å; T276-K343 HydrophobicContact CG2-CD 3.83Å; T276-K343 HydrophobicContact CG2-CG 3.89Å; E280-K343 IonicContact OE1-NZ 2.74Å; E280-K343 PolarHBondContact OE1-NZ 2.7Å; E280-K343 IonicContact OE2-NZ 3.16Å; E280-K343 PolarHBondContact OE2-NZ 2.93Å; Q339-K343 WeakPolarHBondContact O-CB 3.34Å; Q339-K343 PolarHBondContact O-N 3.11Å; L340-K343 PolarHBondContact O-N 2.91Å; G341-K343 PolarHBondContact O-N 3.18Å; K343-Y345 PolarHBondContact O-N 2.7Å; K343-S346 WeakPolarHBondContact CA-OG 3.47Å; K343-S346 PolarHBondContact O-N 2.94Å; K343-S346 VanDerWaalsContact O-N 3.13Å; K343-S346 PolarHBondContact O-OG 3.26Å; K343-I347 HydrophobicContact CG-CD1 4.27Å; K343-I347 WeakPolarHBondContact O-CG1 3.39Å; K343-I347 PolarHBondContact O-N 3.31Å; K343-I347 VanDerWaalsContact O-N 3.11Å
344	L	97.8	Very high	95.3	Very high	0 Å²	0	54.7 Å²	54.7	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-59.4	-45.2	176.1	-174	64.9	0	0	0	111.8	L271 P274 T276 N314 D315 V318 I327 L340 G341 S346 I347 A348	L271-L344 HydrophobicContact CD1-CD2 3.88Å; P274-L344 HydrophobicContact CB-CD2 3.78Å; P274-L344 HydrophobicContact CG-CD2 4.11Å; T276-L344 HydrophobicContact CG2-CB 4.34Å; N314-L344 HydrophobicContact CB-CD1 3.82Å; N314-L344 HydrophobicContact CB-CD2 4Å; D315-L344 HydrophobicContact CB-CD1 4.43Å; V318-L344 HydrophobicContact CB-CD1 4.48Å; V318-L344 HydrophobicContact CG1-CD1 3.92Å; V318-L344 HydrophobicContact CG1-CG 4.36Å; V318-L344 HydrophobicContact CG2-CD1 3.77Å; I327-L344 HydrophobicContact CD1-CD2 4.5Å; I327-L344 HydrophobicContact CD1-CG 4.44Å; L340-L344 WeakPolarHBondContact O-CB 3.05Å; L340-L344 PolarHBondContact O-N 2.89Å; G341-L344 PolarHBondContact O-N 3.42Å; L344-S346 VanDerWaalsContact C-N 3.34Å; L344-S346 PolarHBondContact O-N 2.85Å; L344-I347 PolarHBondContact O-N 2.89Å; L344-I347 VanDerWaalsContact O-N 3.16Å; L344-A348 WeakPolarHBondContact O-CB 3.43Å; L344-A348 PolarHBondContact O-N 2.93Å
345	Y	98	Very high	95.2	Very high	82 Å²	82	61.6 Å²	61.6	32%	0.322	30%	0.295	S	S	.	.	H	α-helix	trans	-58.9	-42.7	172.8	174.8	-107.3	0	0	0	112.5	I327 G341 R342 K343 I347 A348 A349 V359 F361	I327-Y345 HydrophobicContact CD1-CD2 4.5Å; G341-Y345 PolarHBondContact O-N 3.22Å; R342-Y345 PolarHBondContact O-N 3.12Å; K343-Y345 PolarHBondContact O-N 2.7Å; Y345-I347 PolarHBondContact O-N 3.11Å; Y345-A348 PolarHBondContact O-N 2.75Å; Y345-A349 HydrophobicContact CD2-CB 4.26Å; Y345-A349 HydrophobicContact CE1-CB 4.35Å; Y345-A349 HydrophobicContact CE2-CB 3.86Å; Y345-A349 WeakPolarHBondContact O-CB 3.45Å; Y345-A349 PolarHBondContact O-N 3.06Å; Y345-V359 HydrophobicContact CD2-CG1 3.91Å; Y345-V359 HydrophobicContact CE2-CG1 3.84Å; Y345-F361 HydrophobicContact CD1-CB 3.94Å; Y345-F361 HydrophobicContact CD1-CG 4.43Å; Y345-F361 HydrophobicContact CD2-CB 3.55Å; Y345-F361 HydrophobicContact CE1-CB 4.24Å; Y345-F361 HydrophobicContact CE2-CB 3.85Å; Y345-F361 HydrophobicContact CG-CB 3.57Å; Y345-F361 HydrophobicContact CG-CD2 4.25Å; Y345-F361 HydrophobicContact CG-CG 4.14Å
346	S	98	Very high	95.3	Very high	70 Å²	70	65.6 Å²	65.6	49%	0.49	32%	0.315	S	S	.	.	H	α-helix	trans	-66.7	-18.9	178.2	71.6	0	0	0	0	114.4	R342 K343 L344 P350	R342-S346 PolarHBondContact O-N 3.12Å; K343-S346 WeakPolarHBondContact CA-OG 3.47Å; K343-S346 PolarHBondContact O-N 2.94Å; K343-S346 VanDerWaalsContact O-N 3.13Å; K343-S346 PolarHBondContact O-OG 3.26Å; L344-S346 VanDerWaalsContact C-N 3.34Å; L344-S346 PolarHBondContact O-N 2.85Å; S346-P350 VanDerWaalsContact O-CD 3.26Å; S346-P350 WeakPolarHBondContact O-CD 3.43Å; S346-P350 WeakPolarHBondContact O-CG 3.32Å
347	I	97.3	Very high	95.4	Very high	44 Å²	44	69.4 Å²	69.4	23%	0.226	33%	0.332	C	S	.	.	H	α-helix	trans	-87	-39.9	171.8	-62.8	165.2	0	0	0	110.5	D315 V318 K319 K343 L344 Y345	D315-I347 HydrophobicContact CB-CD1 3.91Å; D315-I347 WeakPolarHBondContact O-CG2 3.34Å; V318-I347 HydrophobicContact CG2-CB 4.49Å; V318-I347 HydrophobicContact CG2-CG2 4.03Å; K319-I347 HydrophobicContact CG-CG2 3.97Å; K343-I347 HydrophobicContact CG-CD1 4.27Å; K343-I347 WeakPolarHBondContact O-CG1 3.39Å; K343-I347 PolarHBondContact O-N 3.31Å; K343-I347 VanDerWaalsContact O-N 3.11Å; L344-I347 PolarHBondContact O-N 2.89Å; L344-I347 VanDerWaalsContact O-N 3.16Å; Y345-I347 PolarHBondContact O-N 3.11Å
348	A	96.9	Very high	95.5	Very high	0 Å²	0	72.3 Å²	72.3	0%	0	34%	0.341	C	S	.	.	H	α-helix	trans	-71.7	-53.2	-178.3	0	0	0	0	0	113.3	V318 L325 L344 Y345 A351 F354 V359	V318-A348 HydrophobicContact CB-CB 3.99Å; V318-A348 HydrophobicContact CG2-CB 3.97Å; L325-A348 HydrophobicContact CD2-CB 3.78Å; L344-A348 WeakPolarHBondContact O-CB 3.43Å; L344-A348 PolarHBondContact O-N 2.93Å; Y345-A348 PolarHBondContact O-N 2.75Å; A348-A351 VanDerWaalsContact O-CB 3.29Å; A348-A351 WeakPolarHBondContact O-CB 3.49Å; A348-A351 PolarHBondContact O-N 2.86Å; A348-F354 HydrophobicContact CB-CD2 4.26Å; A348-F354 HydrophobicContact CB-CE2 3.75Å; A348-F354 VanDerWaalsContact O-CD2 3.24Å; A348-F354 WeakPolarHBondContact O-CD2 3.36Å; A348-V359 HydrophobicContact CB-CG1 4.31Å
349	A	95.6	Very high	95.6	Very high	44 Å²	44	72.7 Å²	72.7	36%	0.364	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.9	-36.7	-172.2	0	0	0	0	0	115.7	Y345 V359	Y345-A349 HydrophobicContact CD2-CB 4.26Å; Y345-A349 HydrophobicContact CE1-CB 4.35Å; Y345-A349 HydrophobicContact CE2-CB 3.86Å; Y345-A349 WeakPolarHBondContact O-CB 3.45Å; Y345-A349 PolarHBondContact O-N 3.06Å; A349-V359 HydrophobicContact CB-CG1 4.38Å
350	P	96	Very high	95.7	Very high	104 Å²	104	68.6 Å²	68.6	68%	0.675	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.5	0.4	174	36	-36.6	0	0	0	114.3	S346	S346-P350 VanDerWaalsContact O-CD 3.26Å; S346-P350 WeakPolarHBondContact O-CD 3.43Å; S346-P350 WeakPolarHBondContact O-CG 3.32Å
351	A	95.4	Very high	95.8	Very high	16 Å²	16	69.9 Å²	69.9	13%	0.132	33%	0.331	C	S	.	.			trans	-74.1	135.7	-176	0	0	0	0	0	112	A348 S353 F354	A348-A351 VanDerWaalsContact O-CB 3.29Å; A348-A351 WeakPolarHBondContact O-CB 3.49Å; A348-A351 PolarHBondContact O-N 2.86Å; A351-S353 PolarHBondContact O-N 3.18Å; A351-S353 VanDerWaalsContact O-N 3.08Å; A351-F354 HydrophobicContact CB-CD2 4.28Å; A351-F354 PolarHBondContact O-N 3.13Å
352	R	93	Very high	95.9	Very high	231 Å²	231	70.8 Å²	70.8	87%	0.872	34%	0.336	S	S	*	.	G	3₁₀ helix	trans	-57	-28.2	-175.8	-179.2	176.6	171.8	-173.2	-3.3	114	F354 R355	R352-F354 VanDerWaalsContact C-N 3.26Å; R352-F354 PolarHBondContact O-N 3.44Å; R352-R355 WeakPolarHBondContact O-CB 3.24Å; R352-R355 PolarHBondContact O-N 3.43Å
353	S	91.8	Very high	95.9	Very high	24 Å²	24	66.7 Å²	66.7	17%	0.168	33%	0.329	C	S	.	.	G	3₁₀ helix	trans	-67.5	-24.7	179.2	63.6	0	0	0	0	113.5	V318 K319 I321 A351 F357	V318-S353 PolarHBondContact O-OG 3.45Å; K319-S353 PolarHBondContact O-OG 3.33Å; I321-S353 CarbonylContact O-C 3.6Å; I321-S353 WeakPolarHBondContact O-CB 3.28Å; I321-S353 PolarHBondContact O-OG 2.7Å; A351-S353 PolarHBondContact O-N 3.18Å; A351-S353 VanDerWaalsContact O-N 3.08Å; S353-F357 WeakPolarHBondContact O-CD2 3.46Å
354	F	93.1	Very high	96	Very high	7 Å²	7	63.4 Å²	63.4	3%	0.031	32%	0.315	C	S	.	.	G	3₁₀ helix	trans	-95.4	7.7	176.8	-66.8	-68.4	0	0	0	114.3	V318 I321 C323 L325 A348 A351 R352 D356 F357 V359	V318-F354 HydrophobicContact CB-CE2 4.14Å; V318-F354 HydrophobicContact CB-CZ 4.48Å; V318-F354 WeakPolarHBondContact O-CE2 3.06Å; I321-F354 HydrophobicContact CB-CE1 4.29Å; I321-F354 HydrophobicContact CB-CZ 3.91Å; I321-F354 HydrophobicContact CG2-CE1 3.78Å; I321-F354 HydrophobicContact CG2-CZ 3.81Å; C323-F354 VanDerWaalsContact O-CD1 3.24Å; C323-F354 WeakPolarHBondContact O-CD1 3.47Å; C323-F354 WeakPolarHBondContact O-CE1 3.39Å; L325-F354 HydrophobicContact CB-CD1 4.44Å; L325-F354 HydrophobicContact CB-CE1 3.64Å; L325-F354 HydrophobicContact CB-CZ 3.91Å; L325-F354 HydrophobicContact CD2-CE1 4.18Å; L325-F354 HydrophobicContact CD2-CE2 4.05Å; L325-F354 HydrophobicContact CD2-CZ 3.54Å; L325-F354 HydrophobicContact CG-CZ 4.36Å; A348-F354 HydrophobicContact CB-CD2 4.26Å; A348-F354 HydrophobicContact CB-CE2 3.75Å; A348-F354 VanDerWaalsContact O-CD2 3.24Å; A348-F354 WeakPolarHBondContact O-CD2 3.36Å; A351-F354 HydrophobicContact CB-CD2 4.28Å; A351-F354 PolarHBondContact O-N 3.13Å; R352-F354 VanDerWaalsContact C-N 3.26Å; R352-F354 PolarHBondContact O-N 3.44Å; F354-D356 PolarHBondContact O-N 2.94Å; F354-F357 HydrophobicContact CD1-CB 4.26Å; F354-F357 PolarHBondContact O-N 3.17Å; F354-F357 VanDerWaalsContact O-O 3.08Å; F354-V359 HydrophobicContact CB-CG2 3.48Å; F354-V359 VanDerWaalsContact CB-CG2 3.48Å; F354-V359 HydrophobicContact CD1-CG2 3.64Å; F354-V359 HydrophobicContact CD2-CG2 4.01Å; F354-V359 HydrophobicContact CE1-CG2 4.33Å; F354-V359 HydrophobicContact CG-CG2 3.46Å; F354-V359 VanDerWaalsContact CG-CG2 3.46Å
355	R	90.4	Very high	95.9	Very high	206 Å²	206	68.2 Å²	68.2	78%	0.777	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48.6	-41.1	-175	-177.4	-170.8	-176.5	-168.3	-0.2	113.2	R352	R352-R355 WeakPolarHBondContact O-CB 3.24Å; R352-R355 PolarHBondContact O-N 3.43Å
356	D	92.6	Very high	95.8	Very high	130 Å²	130	66.8 Å²	66.8	70%	0.695	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.1	15.2	-172.5	-47.6	-64.6	0	0	0	111.6	F354	F354-D356 PolarHBondContact O-N 2.94Å
357	F	95.3	Very high	95.7	Very high	81 Å²	81	69.9 Å²	69.9	36%	0.355	35%	0.35	S	S	.	.	S	Bend	trans	-128.9	146.8	-174.7	-64.5	-73	0	0	0	113.1	S322 P324 S353 F354 V359	S322-F357 WeakPolarHBondContact O-CZ 3.5Å; P324-F357 HydrophobicContact CG-CD1 4.24Å; S353-F357 WeakPolarHBondContact O-CD2 3.46Å; F354-F357 HydrophobicContact CD1-CB 4.26Å; F354-F357 PolarHBondContact O-N 3.17Å; F354-F357 VanDerWaalsContact O-O 3.08Å; F357-V359 PolarHBondContact O-N 3.3Å
358	K	95.6	Very high	95.7	Very high	94 Å²	94	71.8 Å²	71.8	41%	0.409	36%	0.36	S	S	.	.			trans	-73.1	115.9	177.2	-175.7	174.7	177	174.4	0	110.8	P324 L325 E387 F388	P324-K358 CarbonylContact C-O 3.31Å; P324-K358 WeakPolarHBondContact CA-O 3.48Å; L325-K358 PolarHBondContact N-O 3.45Å; K358-E387 PolarHBondContact NZ-O 3.49Å; K358-F388 HydrophobicContact CB-CE2 4.41Å; K358-F388 HydrophobicContact CD-CD2 3.97Å; K358-F388 HydrophobicContact CD-CE2 4.19Å; K358-F388 HydrophobicContact CG-CD2 4.26Å; K358-F388 HydrophobicContact CG-CE2 4.02Å
359	V	97.4	Very high	95.6	Very high	27 Å²	27	73.7 Å²	73.7	16%	0.164	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	121.9	169.2	-169	0	0	0	0	109.3	L325 Y345 A348 A349 F354 F357	L325-V359 HydrophobicContact CB-CG1 4.29Å; L325-V359 HydrophobicContact CD2-CG1 4.19Å; L325-V359 HydrophobicContact CG-CG1 4.3Å; L325-V359 CarbonylContact O-C 3.55Å; L325-V359 VanDerWaalsContact O-CA 3.31Å; L325-V359 WeakPolarHBondContact O-CA 3.42Å; Y345-V359 HydrophobicContact CD2-CG1 3.91Å; Y345-V359 HydrophobicContact CE2-CG1 3.84Å; A348-V359 HydrophobicContact CB-CG1 4.31Å; A349-V359 HydrophobicContact CB-CG1 4.38Å; F354-V359 HydrophobicContact CB-CG2 3.48Å; F354-V359 VanDerWaalsContact CB-CG2 3.48Å; F354-V359 HydrophobicContact CD1-CG2 3.64Å; F354-V359 HydrophobicContact CD2-CG2 4.01Å; F354-V359 HydrophobicContact CE1-CG2 4.33Å; F354-V359 HydrophobicContact CG-CG2 3.46Å; F354-V359 VanDerWaalsContact CG-CG2 3.46Å; F357-V359 PolarHBondContact O-N 3.3Å
360	Q	98.1	Very high	95.7	Very high	43 Å²	43	72.8 Å²	72.8	20%	0.201	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	133.4	-175.4	-177.3	172.5	-18.9	0	0	111	L325 L326 I327 V362 F388	L325-Q360 PolarHBondContact O-N 3.15Å; L326-Q360 CarbonylContact C-O 3.58Å; L326-Q360 WeakPolarHBondContact CA-O 3.43Å; L326-Q360 HydrophobicContact CD1-CB 4.08Å; L326-Q360 HydrophobicContact CD1-CG 4.03Å; I327-Q360 PolarHBondContact N-O 3.09Å; Q360-V362 HydrophobicContact CG-CG2 4.05Å; Q360-F388 HydrophobicContact CB-CD2 4.1Å; Q360-F388 HydrophobicContact CB-CE2 4.23Å
361	F	98.4	Very high	95.7	Very high	36 Å²	36	74 Å²	74	16%	0.158	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	123.4	170.8	-178.4	-92	0	0	0	109.4	I327 H329 F338 R342 Y345 P363	I327-F361 HydrophobicContact CB-CD2 3.76Å; I327-F361 HydrophobicContact CB-CE2 4.42Å; I327-F361 HydrophobicContact CG2-CD2 3.4Å; I327-F361 VanDerWaalsContact CG2-CD2 3.4Å; I327-F361 HydrophobicContact CG2-CE2 3.56Å; H329-F361 HydrophobicContact CB-CE2 4.23Å; H329-F361 HydrophobicContact CB-CZ 4.12Å; F338-F361 HydrophobicContact CD2-CZ 4.31Å; F338-F361 AromaticContact CE2-CE1 3.91Å; F338-F361 HydrophobicContact CE2-CE1 3.91Å; F338-F361 AromaticContact CE2-CZ 3.65Å; F338-F361 HydrophobicContact CE2-CZ 3.65Å; F338-F361 HydrophobicContact CZ-CE1 4.02Å; F338-F361 HydrophobicContact CZ-CZ 4.11Å; R342-F361 HydrophobicContact CB-CZ 4.41Å; R342-F361 HydrophobicContact CG-CE1 3.68Å; R342-F361 HydrophobicContact CG-CE2 4.14Å; R342-F361 HydrophobicContact CG-CZ 3.43Å; R342-F361 VanDerWaalsContact CG-CZ 3.43Å; Y345-F361 HydrophobicContact CD1-CB 3.94Å; Y345-F361 HydrophobicContact CD1-CG 4.43Å; Y345-F361 HydrophobicContact CD2-CB 3.55Å; Y345-F361 HydrophobicContact CE1-CB 4.24Å; Y345-F361 HydrophobicContact CE2-CB 3.85Å; Y345-F361 HydrophobicContact CG-CB 3.57Å; Y345-F361 HydrophobicContact CG-CD2 4.25Å; Y345-F361 HydrophobicContact CG-CG 4.14Å; F361-P363 HydrophobicContact CE1-CB 3.96Å; F361-P363 HydrophobicContact CE1-CG 4.39Å
362	V	98.5	Very high	95.8	Very high	19 Å²	19	74.3 Å²	74.3	12%	0.115	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	105.7	176.9	-175.6	0	0	0	0	109.2	L326 I327 L328 H329 Q360 F364 I384	L326-V362 HydrophobicContact CD1-CG2 3.89Å; I327-V362 PolarHBondContact O-N 3.37Å; L328-V362 HydrophobicContact CD2-CB 3.86Å; L328-V362 HydrophobicContact CD2-CG2 4.23Å; H329-V362 PolarHBondContact N-O 3.17Å; Q360-V362 HydrophobicContact CG-CG2 4.05Å; V362-F364 HydrophobicContact CG1-CE1 4.27Å; V362-F364 HydrophobicContact CG1-CE2 4.23Å; V362-F364 HydrophobicContact CG1-CZ 3.95Å; V362-I384 HydrophobicContact CG1-CD1 3.91Å; V362-I384 HydrophobicContact CG2-CG2 4.06Å
363	P	98	Very high	95.9	Very high	64 Å²	64	66.5 Å²	66.5	42%	0.416	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	145.9	168.8	32.2	-32.1	0	0	0	110.7	H329 F338 F361	H329-P363 WeakPolarHBondContact O-CA 3.31Å; F338-P363 HydrophobicContact CE2-CB 3.83Å; F338-P363 HydrophobicContact CZ-CB 3.73Å; F361-P363 HydrophobicContact CE1-CB 3.96Å; F361-P363 HydrophobicContact CE1-CG 4.39Å
364	F	98.1	Very high	96.2	Very high	10 Å²	10	68.7 Å²	68.7	4%	0.044	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	121.4	164.6	-62.2	-80	0	0	0	109.1	L328 H329 A330 E331 V362 L368 Y370 I375 I384	L328-F364 HydrophobicContact CB-CE2 4.21Å; L328-F364 HydrophobicContact CD2-CE2 4.21Å; L328-F364 HydrophobicContact CD2-CZ 4.44Å; H329-F364 PolarHBondContact O-N 3.05Å; A330-F364 HydrophobicContact CB-CB 4.2Å; E331-F364 PolarHBondContact N-O 3.06Å; V362-F364 HydrophobicContact CG1-CE1 4.27Å; V362-F364 HydrophobicContact CG1-CE2 4.23Å; V362-F364 HydrophobicContact CG1-CZ 3.95Å; F364-L368 HydrophobicContact CB-CD1 4.13Å; F364-L368 HydrophobicContact CD1-CD1 4.34Å; F364-Y370 HydrophobicContact CB-CD2 3.7Å; F364-Y370 HydrophobicContact CB-CE2 4.12Å; F364-Y370 AromaticContact CD1-CD2 3.9Å; F364-Y370 HydrophobicContact CD1-CD2 3.9Å; F364-Y370 AromaticContact CD1-CE2 3.63Å; F364-Y370 HydrophobicContact CD1-CE2 3.63Å; F364-Y370 HydrophobicContact CD2-CD2 4.48Å; F364-Y370 HydrophobicContact CE1-CE2 4.3Å; F364-Y370 AromaticContact CG-CD2 3.76Å; F364-Y370 HydrophobicContact CG-CD2 3.76Å; F364-Y370 AromaticContact CG-CE2 4Å; F364-Y370 HydrophobicContact CG-CE2 4Å; F364-I375 HydrophobicContact CD2-CD1 3.95Å; F364-I375 HydrophobicContact CD2-CG1 3.99Å; F364-I375 HydrophobicContact CD2-CG2 4.06Å; F364-I375 HydrophobicContact CE2-CB 4.45Å; F364-I375 HydrophobicContact CE2-CD1 4.14Å; F364-I375 HydrophobicContact CE2-CG1 4.22Å; F364-I375 HydrophobicContact CE2-CG2 3.44Å; F364-I375 VanDerWaalsContact CE2-CG2 3.44Å; F364-I375 HydrophobicContact CZ-CG2 3.8Å; F364-I384 HydrophobicContact CE1-CD1 3.91Å; F364-I384 HydrophobicContact CZ-CD1 3.8Å
365	H	97.3	Very high	96.4	Very high	100 Å²	100	68.3 Å²	68.3	46%	0.463	33%	0.333	S	S	.	.			trans	-61.3	143.7	-174	-165.2	-111.5	0	0	0	111.7	E331 D367 L368	E331-H365 WeakPolarHBondContact OE2-CA 3.36Å; E331-H365 IonicContact OE2-CD2 2.71Å; E331-H365 PolarHBondContact OE2-CD2 3.25Å; E331-H365 IonicContact OE2-CG 3.93Å; E331-H365 IonicContact OE2-NE2 2.82Å; H365-D367 IonicContact CE1-OD2 3.69Å; H365-D367 PolarHBondContact CE1-OD2 2.89Å; H365-D367 IonicContact ND1-OD2 2.66Å; H365-D367 PolarHBondContact ND1-OD2 2.92Å; H365-D367 PolarHBondContact O-N 2.88Å; H365-D367 VanDerWaalsContact O-N 3.07Å; H365-L368 WeakPolarHBondContact O-CB 3.06Å; H365-L368 WeakPolarHBondContact O-CG 3.33Å; H365-L368 PolarHBondContact O-N 2.9Å
366	S	95.8	Very high	96.7	Very high	53 Å²	53	60 Å²	60	37%	0.371	30%	0.302	S	S	.	.	G	3₁₀ helix	trans	-54.5	-30.8	-172.7	55.2	0	0	0	0	115.3	E331 L368 G369	E331-S366 PolarHBondContact OE2-N 3.4Å; E331-S366 VanDerWaalsContact OE2-N 3.13Å; S366-L368 PolarHBondContact O-N 2.87Å; S366-G369 PolarHBondContact O-N 3.42Å
367	D	96.1	Very high	97	Very high	135 Å²	135	59.5 Å²	59.5	72%	0.722	29%	0.293	S	S	*	.	G	3₁₀ helix	trans	-63.5	-18.5	176.9	-57.8	-52.7	0	0	0	114.3	H365 G369	H365-D367 IonicContact CE1-OD2 3.69Å; H365-D367 PolarHBondContact CE1-OD2 2.89Å; H365-D367 IonicContact ND1-OD2 2.66Å; H365-D367 PolarHBondContact ND1-OD2 2.92Å; H365-D367 PolarHBondContact O-N 2.88Å; H365-D367 VanDerWaalsContact O-N 3.07Å; D367-G369 VanDerWaalsContact C-N 3.28Å; D367-G369 PolarHBondContact O-N 3.4Å
368	L	96.1	Very high	97.1	Very high	84 Å²	84	55.9 Å²	55.9	44%	0.44	28%	0.278	S	S	.	.	G	3₁₀ helix	trans	-75.5	-14.7	-177.5	-61.2	175.9	0	0	0	113.2	F364 H365 S366 Y370	F364-L368 HydrophobicContact CB-CD1 4.13Å; F364-L368 HydrophobicContact CD1-CD1 4.34Å; H365-L368 WeakPolarHBondContact O-CB 3.06Å; H365-L368 WeakPolarHBondContact O-CG 3.33Å; H365-L368 PolarHBondContact O-N 2.9Å; S366-L368 PolarHBondContact O-N 2.87Å; L368-Y370 VanDerWaalsContact C-N 3.28Å; L368-Y370 HydrophobicContact CB-CD1 4.27Å; L368-Y370 HydrophobicContact CB-CD2 4.06Å; L368-Y370 HydrophobicContact CB-CE1 4.06Å; L368-Y370 HydrophobicContact CB-CE2 3.83Å; L368-Y370 HydrophobicContact CB-CG 4.25Å; L368-Y370 HydrophobicContact CD1-CD2 4.42Å; L368-Y370 HydrophobicContact CD1-CE2 3.77Å; L368-Y370 HydrophobicContact CG-CE2 4.37Å; L368-Y370 VanDerWaalsContact O-CD1 3.27Å; L368-Y370 WeakPolarHBondContact O-CD1 3.49Å; L368-Y370 WeakPolarHBondContact O-CE1 3.13Å; L368-Y370 PolarHBondContact O-N 3.18Å
369	G	96.1	Very high	97.1	Very high	40 Å²	40	56 Å²	56	41%	0.412	29%	0.289	S	S	.	.			trans	68.5	20	172.8	0	0	0	0	0	115.3	D332 S366 D367	D332-G369 WeakPolarHBondContact OD2-CA 3.44Å; S366-G369 PolarHBondContact O-N 3.42Å; D367-G369 VanDerWaalsContact C-N 3.28Å; D367-G369 PolarHBondContact O-N 3.4Å
370	Y	97.1	Very high	97.1	Very high	25 Å²	25	58.7 Å²	58.7	10%	0.098	30%	0.299	C	S	.	.			trans	-76.6	-27.4	-175.2	-62.6	-21	0	0	0	113.1	D332 F364 L368 Y374 I375 K377 S378	D332-Y370 PolarHBondContact OD2-N 3.47Å; F364-Y370 HydrophobicContact CB-CD2 3.7Å; F364-Y370 HydrophobicContact CB-CE2 4.12Å; F364-Y370 AromaticContact CD1-CD2 3.9Å; F364-Y370 HydrophobicContact CD1-CD2 3.9Å; F364-Y370 AromaticContact CD1-CE2 3.63Å; F364-Y370 HydrophobicContact CD1-CE2 3.63Å; F364-Y370 HydrophobicContact CD2-CD2 4.48Å; F364-Y370 HydrophobicContact CE1-CE2 4.3Å; F364-Y370 AromaticContact CG-CD2 3.76Å; F364-Y370 HydrophobicContact CG-CD2 3.76Å; F364-Y370 AromaticContact CG-CE2 4Å; F364-Y370 HydrophobicContact CG-CE2 4Å; L368-Y370 VanDerWaalsContact C-N 3.28Å; L368-Y370 HydrophobicContact CB-CD1 4.27Å; L368-Y370 HydrophobicContact CB-CD2 4.06Å; L368-Y370 HydrophobicContact CB-CE1 4.06Å; L368-Y370 HydrophobicContact CB-CE2 3.83Å; L368-Y370 HydrophobicContact CB-CG 4.25Å; L368-Y370 HydrophobicContact CD1-CD2 4.42Å; L368-Y370 HydrophobicContact CD1-CE2 3.77Å; L368-Y370 HydrophobicContact CG-CE2 4.37Å; L368-Y370 VanDerWaalsContact O-CD1 3.27Å; L368-Y370 WeakPolarHBondContact O-CD1 3.49Å; L368-Y370 WeakPolarHBondContact O-CE1 3.13Å; L368-Y370 PolarHBondContact O-N 3.18Å; Y370-Y374 WeakPolarHBondContact O-CA 3.23Å; Y370-Y374 VanDerWaalsContact O-CB 3.23Å; Y370-Y374 WeakPolarHBondContact O-CB 3.23Å; Y370-Y374 WeakPolarHBondContact O-CD2 3.31Å; Y370-Y374 PolarHBondContact O-N 2.98Å; Y370-I375 HydrophobicContact CD2-CG1 4.43Å; Y370-K377 HydrophobicContact CE1-CB 4.44Å; Y370-S378 WeakPolarHBondContact OH-CA 3.17Å; Y370-S378 PolarHBondContact OH-OG 2.9Å
371	R	96.3	Very high	97	Very high	130 Å²	130	56.6 Å²	56.6	49%	0.491	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	53	-153.1	174.6	-52.8	176.9	77.9	175.1	3.4	110.9	A330 D332 K373	A330-R371 WeakPolarHBondContact CB-O 3.35Å; D332-R371 VanDerWaalsContact CG-N 3.3Å; D332-R371 WeakPolarHBondContact OD1-CA 3.32Å; D332-R371 PolarHBondContact OD1-N 2.89Å; D332-R371 WeakPolarHBondContact OD2-CG 3.37Å; D332-R371 PolarHBondContact OD2-N 3.4Å; D332-R371 VanDerWaalsContact OD2-N 3.12Å; R371-K373 VanDerWaalsContact C-N 3.26Å; R371-K373 PolarHBondContact O-N 3.37Å
372	H	96.1	Very high	96.9	Very high	21 Å²	21	57.1 Å²	57.1	10%	0.097	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-24.3	-177.3	-167.1	49	0	0	0	115.7	H245 S246 S273 D333 V335 V336	H245-H372 PolarHBondContact NE2-O 3.25Å; S246-H372 WeakPolarHBondContact CB-NE2 3.26Å; S246-H372 PolarHBondContact OG-CE1 3.45Å; S246-H372 PolarHBondContact OG-NE2 3.14Å; S273-H372 PolarHBondContact OG-O 3.02Å; S273-H372 VanDerWaalsContact OG-O 3.05Å; D333-H372 VanDerWaalsContact CG-ND1 3.35Å; D333-H372 VanDerWaalsContact OD1-CB 3.26Å; D333-H372 WeakPolarHBondContact OD1-CB 3.31Å; D333-H372 IonicContact OD1-CG 3.02Å; D333-H372 IonicContact OD1-ND1 3.56Å; D333-H372 PolarHBondContact OD1-ND1 3.3Å; D333-H372 VanDerWaalsContact OD1-ND1 3.17Å; D333-H372 IonicContact OD2-CE1 3.64Å; D333-H372 IonicContact OD2-CG 3Å; D333-H372 IonicContact OD2-ND1 2.87Å; D333-H372 PolarHBondContact OD2-ND1 3.04Å; V335-H372 HydrophobicContact CB-CB 4.16Å; V335-H372 HydrophobicContact CG2-CB 3.88Å; V336-H372 VanDerWaalsContact CG2-CE1 3.48Å; V336-H372 WeakPolarHBondContact CG2-CE1 3.46Å
373	K	95.3	Very high	96.8	Very high	67 Å²	67	61.6 Å²	61.6	29%	0.291	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-151.4	12.9	-157	72.9	175.4	-170.6	175.9	0	117.3	H185 R371 Y376	H185-K373 HydrophobicContact CB-CD 4.34Å; R371-K373 VanDerWaalsContact C-N 3.26Å; R371-K373 PolarHBondContact O-N 3.37Å; K373-Y376 WeakPolarHBondContact O-CD1 3.41Å; K373-Y376 WeakPolarHBondContact O-CE1 3.4Å
374	Y	97.6	Very high	96.8	Very high	70 Å²	70	59 Å²	59	28%	0.275	29%	0.294	S	S	.	.			trans	-118.8	18.7	179.9	-52.9	-73.5	0	0	0	113.6	Y370 Y376 K377	Y370-Y374 WeakPolarHBondContact O-CA 3.23Å; Y370-Y374 VanDerWaalsContact O-CB 3.23Å; Y370-Y374 WeakPolarHBondContact O-CB 3.23Å; Y370-Y374 WeakPolarHBondContact O-CD2 3.31Å; Y370-Y374 PolarHBondContact O-N 2.98Å; Y374-Y376 AromaticContact CD1-CE1 3.71Å; Y374-Y376 HydrophobicContact CD1-CE1 3.71Å; Y374-Y376 HydrophobicContact CG-CE1 4.47Å; Y374-Y376 PolarHBondContact O-N 3.34Å; Y374-K377 HydrophobicContact CD1-CD 4.5Å; Y374-K377 VanDerWaalsContact O-CB 3.32Å; Y374-K377 WeakPolarHBondContact O-CB 3.43Å; Y374-K377 PolarHBondContact O-N 2.85Å
375	I	98	Very high	96.7	Very high	0 Å²	0	58.5 Å²	58.5	0%	0	29%	0.292	C	S	.	.	G	3₁₀ helix	trans	-58.7	-28.5	175.2	-68.6	172.7	0	0	0	111.4	E272 L328 A330 F364 Y370 K377 S378	E272-I375 HydrophobicContact CG-CD1 4.01Å; L328-I375 HydrophobicContact CB-CD1 4.34Å; L328-I375 HydrophobicContact CD1-CG2 4.29Å; A330-I375 HydrophobicContact CB-CD1 4.38Å; A330-I375 HydrophobicContact CB-CG1 4.4Å; F364-I375 HydrophobicContact CD2-CD1 3.95Å; F364-I375 HydrophobicContact CD2-CG1 3.99Å; F364-I375 HydrophobicContact CD2-CG2 4.06Å; F364-I375 HydrophobicContact CE2-CB 4.45Å; F364-I375 HydrophobicContact CE2-CD1 4.14Å; F364-I375 HydrophobicContact CE2-CG1 4.22Å; F364-I375 HydrophobicContact CE2-CG2 3.44Å; F364-I375 VanDerWaalsContact CE2-CG2 3.44Å; F364-I375 HydrophobicContact CZ-CG2 3.8Å; Y370-I375 HydrophobicContact CD2-CG1 4.43Å; I375-K377 PolarHBondContact O-N 3.45Å; I375-S378 VanDerWaalsContact O-CB 3.24Å; I375-S378 WeakPolarHBondContact O-CB 3.48Å; I375-S378 PolarHBondContact O-N 3.45Å
376	Y	97.2	Very high	96.5	Very high	30 Å²	30	59.7 Å²	59.7	12%	0.118	29%	0.292	C	S	.	.	G	3₁₀ helix	trans	-56.5	-19.3	171.8	77.4	-96.7	0	0	0	114.6	H185 E188 L189 V192 K373 Y374 S378	H185-Y376 HydrophobicContact CB-CE1 3.93Å; E188-Y376 HydrophobicContact CB-CD2 3.87Å; E188-Y376 HydrophobicContact CB-CE1 4.5Å; E188-Y376 HydrophobicContact CB-CE2 3.31Å; E188-Y376 HydrophobicContact CG-CE2 4.12Å; L189-Y376 HydrophobicContact CB-CG 4.39Å; V192-Y376 HydrophobicContact CG2-CD2 4.41Å; K373-Y376 WeakPolarHBondContact O-CD1 3.41Å; K373-Y376 WeakPolarHBondContact O-CE1 3.4Å; Y374-Y376 AromaticContact CD1-CE1 3.71Å; Y374-Y376 HydrophobicContact CD1-CE1 3.71Å; Y374-Y376 HydrophobicContact CG-CE1 4.47Å; Y374-Y376 PolarHBondContact O-N 3.34Å; Y376-S378 VanDerWaalsContact C-N 3.29Å
377	K	97.7	Very high	96.4	Very high	120 Å²	120	61.9 Å²	61.9	52%	0.522	30%	0.297	S	S	.	.	G	3₁₀ helix	trans	-81.7	-5.1	175.7	-60	-174	-179.3	174.6	0	113.5	Y370 Y374 I375	Y370-K377 HydrophobicContact CE1-CB 4.44Å; Y374-K377 HydrophobicContact CD1-CD 4.5Å; Y374-K377 VanDerWaalsContact O-CB 3.32Å; Y374-K377 WeakPolarHBondContact O-CB 3.43Å; Y374-K377 PolarHBondContact O-N 2.85Å; I375-K377 PolarHBondContact O-N 3.45Å
378	S	97.6	Very high	96.4	Very high	5 Å²	5	56 Å²	56	4%	0.035	27%	0.265	C	S	.	.			trans	-73.5	123.8	-177	-170.2	0	0	0	0	111.3	Y370 I375 Y376 E380 L381	Y370-S378 WeakPolarHBondContact OH-CA 3.17Å; Y370-S378 PolarHBondContact OH-OG 2.9Å; I375-S378 VanDerWaalsContact O-CB 3.24Å; I375-S378 WeakPolarHBondContact O-CB 3.48Å; I375-S378 PolarHBondContact O-N 3.45Å; Y376-S378 VanDerWaalsContact C-N 3.29Å; S378-E380 PolarHBondContact O-N 3.29Å; S378-L381 WeakPolarHBondContact O-CB 3.34Å; S378-L381 PolarHBondContact O-N 3.15Å; S378-L381 VanDerWaalsContact O-N 3.09Å
379	P	96.5	Very high	96.3	Very high	98 Å²	98	53 Å²	53	64%	0.636	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.7	-19	175.7	29.1	-35.4	0	0	0	112.3	P382	P379-P382 WeakPolarHBondContact O-CD 3.41Å
380	E	96.6	Very high	95.3	Very high	82 Å²	82	54 Å²	54	38%	0.383	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.6	-19.6	175.6	-63.2	-57.6	121.6	0	0	113.2	S378 R383 I384	S378-E380 PolarHBondContact O-N 3.29Å; E380-R383 WeakPolarHBondContact O-CB 3.44Å; E380-R383 PolarHBondContact O-N 2.97Å; E380-R383 IonicContact OE2-CZ 3.18Å; E380-R383 IonicContact OE2-NE 2.69Å; E380-R383 PolarHBondContact OE2-NE 3.09Å; E380-R383 IonicContact OE2-NH2 2.69Å; E380-R383 PolarHBondContact OE2-NH2 2.78Å; E380-I384 HydrophobicContact CB-CD1 3.81Å; E380-I384 HydrophobicContact CB-CG1 4.41Å; E380-I384 WeakPolarHBondContact O-CD1 3.43Å; E380-I384 WeakPolarHBondContact O-CG1 3.49Å; E380-I384 PolarHBondContact O-N 2.86Å
381	L	96.9	Very high	93.5	Very high	0 Å²	0	56.2 Å²	56.2	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-59	-43.1	-174.5	-176.7	64.1	0	0	0	113.3	W243 L328 S378 R383 I384 L385	W243-L381 HydrophobicContact CH2-CD1 4.15Å; W243-L381 HydrophobicContact CH2-CD2 4.2Å; L328-L381 HydrophobicContact CD1-CD1 3.84Å; S378-L381 WeakPolarHBondContact O-CB 3.34Å; S378-L381 PolarHBondContact O-N 3.15Å; S378-L381 VanDerWaalsContact O-N 3.09Å; L381-R383 VanDerWaalsContact C-N 3.28Å; L381-R383 PolarHBondContact O-N 3Å; L381-I384 PolarHBondContact O-N 3.13Å; L381-L385 HydrophobicContact CD1-CD1 4.07Å; L381-L385 HydrophobicContact CD1-CD2 4.44Å; L381-L385 HydrophobicContact CD1-CG 3.98Å; L381-L385 HydrophobicContact CG-CD1 3.94Å; L381-L385 HydrophobicContact CG-CG 4.3Å; L381-L385 WeakPolarHBondContact O-CB 3.38Å; L381-L385 VanDerWaalsContact O-CG 3.28Å; L381-L385 WeakPolarHBondContact O-CG 3.39Å; L381-L385 PolarHBondContact O-N 2.81Å
382	P	95.9	Very high	90.6	Very high	47 Å²	47	55.1 Å²	55.1	31%	0.305	28%	0.282	S	S	.	.	H	α-helix	trans	-51.2	-42.4	169.1	-31.3	37.8	0	0	0	114.6	L196 P379 R386	L196-P382 HydrophobicContact CD1-CB 4.24Å; L196-P382 HydrophobicContact CD1-CG 4.25Å; L196-P382 HydrophobicContact CD2-CB 3.66Å; L196-P382 HydrophobicContact CD2-CG 3.92Å; P379-P382 WeakPolarHBondContact O-CD 3.41Å; P382-R386 WeakPolarHBondContact O-CB 3.47Å; P382-R386 PolarHBondContact O-N 2.77Å; P382-R386 VanDerWaalsContact O-N 3.12Å
383	R	96.2	Very high	87.7	Confident	113 Å²	113	60.7 Å²	60.7	43%	0.426	31%	0.308	S	S	.	.	H	α-helix	trans	-73.3	-47.5	-179.1	-174.7	-179.1	65.7	77.6	2.3	111	E380 L381 L385 R386 E387	E380-R383 WeakPolarHBondContact O-CB 3.44Å; E380-R383 PolarHBondContact O-N 2.97Å; E380-R383 IonicContact OE2-CZ 3.18Å; E380-R383 IonicContact OE2-NE 2.69Å; E380-R383 PolarHBondContact OE2-NE 3.09Å; E380-R383 IonicContact OE2-NH2 2.69Å; E380-R383 PolarHBondContact OE2-NH2 2.78Å; L381-R383 VanDerWaalsContact C-N 3.28Å; L381-R383 PolarHBondContact O-N 3Å; R383-L385 VanDerWaalsContact C-N 3.31Å; R383-L385 PolarHBondContact O-N 2.88Å; R383-R386 PolarHBondContact O-N 3.21Å; R383-R386 VanDerWaalsContact O-N 3.14Å; R383-E387 WeakPolarHBondContact CD-OE1 3.32Å; R383-E387 HydrophobicContact CG-CG 4.33Å; R383-E387 WeakPolarHBondContact CG-OE1 3.26Å; R383-E387 IonicContact CZ-OE1 2.89Å; R383-E387 IonicContact NE-OE1 2.68Å; R383-E387 IonicContact NH1-OE1 2.66Å; R383-E387 PolarHBondContact NH1-OE1 3.01Å; R383-E387 IonicContact NH1-OE2 3.18Å; R383-E387 PolarHBondContact NH1-OE2 2.81Å; R383-E387 WeakPolarHBondContact O-CB 3.4Å; R383-E387 WeakPolarHBondContact O-CG 3.34Å; R383-E387 PolarHBondContact O-N 2.72Å
384	I	97.5	Very high	84.9	Confident	8 Å²	8	62.7 Å²	62.7	4%	0.041	33%	0.327	C	S	.	.	H	α-helix	trans	-54.3	-47.2	175.8	-67.9	158.4	0	0	0	110.7	L326 L328 V362 F364 E380 L381 F388	L326-I384 HydrophobicContact CD1-CG2 4.33Å; L326-I384 HydrophobicContact CD2-CG2 4.12Å; L328-I384 HydrophobicContact CD2-CG2 4.19Å; V362-I384 HydrophobicContact CG1-CD1 3.91Å; V362-I384 HydrophobicContact CG2-CG2 4.06Å; F364-I384 HydrophobicContact CE1-CD1 3.91Å; F364-I384 HydrophobicContact CZ-CD1 3.8Å; E380-I384 HydrophobicContact CB-CD1 3.81Å; E380-I384 HydrophobicContact CB-CG1 4.41Å; E380-I384 WeakPolarHBondContact O-CD1 3.43Å; E380-I384 WeakPolarHBondContact O-CG1 3.49Å; E380-I384 PolarHBondContact O-N 2.86Å; L381-I384 PolarHBondContact O-N 3.13Å; I384-F388 WeakPolarHBondContact O-CB 3.21Å; I384-F388 PolarHBondContact O-N 3.46Å
385	L	96.9	Very high	81.7	Confident	1 Å²	1	67 Å²	67	1%	0.005	35%	0.35	C	S	.	.	H	α-helix	trans	-67	-39.5	178.9	-67.5	173.5	0	0	0	112.1	L193 L196 W243 I270 L326 L381 R383 F388 L389	L193-L385 HydrophobicContact CD2-CD1 3.81Å; L196-L385 HydrophobicContact CD1-CD1 4.05Å; W243-L385 HydrophobicContact CH2-CD1 4.25Å; W243-L385 HydrophobicContact CH2-CD2 4.27Å; W243-L385 HydrophobicContact CZ3-CD1 3.89Å; W243-L385 HydrophobicContact CZ3-CD2 3.71Å; W243-L385 HydrophobicContact CZ3-CG 4.43Å; I270-L385 HydrophobicContact CD1-CD2 3.82Å; L326-L385 HydrophobicContact CD2-CD2 4.09Å; L381-L385 HydrophobicContact CD1-CD1 4.07Å; L381-L385 HydrophobicContact CD1-CD2 4.44Å; L381-L385 HydrophobicContact CD1-CG 3.98Å; L381-L385 HydrophobicContact CG-CD1 3.94Å; L381-L385 HydrophobicContact CG-CG 4.3Å; L381-L385 WeakPolarHBondContact O-CB 3.38Å; L381-L385 VanDerWaalsContact O-CG 3.28Å; L381-L385 WeakPolarHBondContact O-CG 3.39Å; L381-L385 PolarHBondContact O-N 2.81Å; R383-L385 VanDerWaalsContact C-N 3.31Å; R383-L385 PolarHBondContact O-N 2.88Å; L385-F388 PolarHBondContact O-N 2.93Å; L385-L389 HydrophobicContact CB-CD1 4.38Å; L385-L389 HydrophobicContact CD2-CD1 4.4Å; L385-L389 VanDerWaalsContact O-CB 3.23Å; L385-L389 WeakPolarHBondContact O-CB 3.33Å; L385-L389 VanDerWaalsContact O-CG 3.29Å; L385-L389 WeakPolarHBondContact O-CG 3.25Å; L385-L389 PolarHBondContact O-N 3.29Å
386	R	92.9	Very high	78.7	Confident	124 Å²	124	74.4 Å²	74.4	47%	0.468	38%	0.384	S	S	.	.	H	α-helix	trans	-64.5	-47.9	176.7	-166.2	-168.3	-62.2	-164.1	-4.8	111.9	P382 R383 F388 G390 K391 E393	P382-R386 WeakPolarHBondContact O-CB 3.47Å; P382-R386 PolarHBondContact O-N 2.77Å; P382-R386 VanDerWaalsContact O-N 3.12Å; R383-R386 PolarHBondContact O-N 3.21Å; R383-R386 VanDerWaalsContact O-N 3.14Å; R386-F388 VanDerWaalsContact C-N 3.3Å; R386-F388 PolarHBondContact O-N 2.65Å; R386-G390 PolarHBondContact O-N 3.33Å; R386-K391 HydrophobicContact CG-CB 4.46Å; R386-K391 WeakPolarHBondContact CG-O 3.5Å; R386-E393 IonicContact CZ-OE1 3.71Å; R386-E393 IonicContact NH1-OE1 2.66Å; R386-E393 PolarHBondContact NH1-OE1 3.24Å
387	E	94.5	Very high	75.5	Confident	99 Å²	99	81.1 Å²	81.1	46%	0.463	42%	0.417	S	S	.	.	H	α-helix	trans	-67.7	-27.1	178.5	-72.2	173.8	-170.6	0	0	113.3	K358 R383	K358-E387 PolarHBondContact NZ-O 3.49Å; R383-E387 WeakPolarHBondContact CD-OE1 3.32Å; R383-E387 HydrophobicContact CG-CG 4.33Å; R383-E387 WeakPolarHBondContact CG-OE1 3.26Å; R383-E387 IonicContact CZ-OE1 2.89Å; R383-E387 IonicContact NE-OE1 2.68Å; R383-E387 IonicContact NH1-OE1 2.66Å; R383-E387 PolarHBondContact NH1-OE1 3.01Å; R383-E387 IonicContact NH1-OE2 3.18Å; R383-E387 PolarHBondContact NH1-OE2 2.81Å; R383-E387 WeakPolarHBondContact O-CB 3.4Å; R383-E387 WeakPolarHBondContact O-CG 3.34Å; R383-E387 PolarHBondContact O-N 2.72Å
388	F	96.3	Very high	72.6	Confident	12 Å²	12	86.7 Å²	86.7	5%	0.053	44%	0.444	C	S	.	.	H	α-helix	trans	-84.2	-45.5	177	-178	-100.1	0	0	0	112.7	A268 P324 L326 K358 Q360 I384 L385 R386	A268-F388 HydrophobicContact CB-CE1 4.02Å; P324-F388 HydrophobicContact CB-CE1 4.21Å; P324-F388 HydrophobicContact CB-CE2 4.34Å; P324-F388 HydrophobicContact CB-CZ 3.6Å; L326-F388 HydrophobicContact CB-CD1 3.7Å; L326-F388 HydrophobicContact CB-CD2 3.94Å; L326-F388 HydrophobicContact CB-CE1 3.54Å; L326-F388 HydrophobicContact CB-CE2 3.8Å; L326-F388 HydrophobicContact CB-CG 3.92Å; L326-F388 HydrophobicContact CB-CZ 3.61Å; L326-F388 HydrophobicContact CD1-CD2 4.23Å; L326-F388 HydrophobicContact CD1-CG 4.33Å; L326-F388 HydrophobicContact CD2-CB 4.2Å; L326-F388 HydrophobicContact CD2-CD1 3.9Å; L326-F388 HydrophobicContact CD2-CG 3.96Å; L326-F388 HydrophobicContact CG-CD1 4.35Å; L326-F388 HydrophobicContact CG-CD2 4.49Å; L326-F388 HydrophobicContact CG-CG 4.3Å; L326-F388 VanDerWaalsContact N-CZ 3.32Å; K358-F388 HydrophobicContact CB-CE2 4.41Å; K358-F388 HydrophobicContact CD-CD2 3.97Å; K358-F388 HydrophobicContact CD-CE2 4.19Å; K358-F388 HydrophobicContact CG-CD2 4.26Å; K358-F388 HydrophobicContact CG-CE2 4.02Å; Q360-F388 HydrophobicContact CB-CD2 4.1Å; Q360-F388 HydrophobicContact CB-CE2 4.23Å; I384-F388 WeakPolarHBondContact O-CB 3.21Å; I384-F388 PolarHBondContact O-N 3.46Å; L385-F388 PolarHBondContact O-N 2.93Å; R386-F388 VanDerWaalsContact C-N 3.3Å; R386-F388 PolarHBondContact O-N 2.65Å
389	L	93.6	Very high	71.3	Confident	20 Å²	20	90.8 Å²	90.8	11%	0.105	47%	0.465	C	S	.	.	H	α-helix	trans	-89.4	-5.1	-174.2	-57.2	171	0	0	0	114.1	Y198 Y241 A268 L385 K391	Y198-L389 HydrophobicContact CE1-CD1 4.36Å; Y241-L389 HydrophobicContact CD1-CD2 3.83Å; Y241-L389 HydrophobicContact CD2-CD1 3.85Å; Y241-L389 HydrophobicContact CD2-CD2 4.16Å; Y241-L389 HydrophobicContact CE1-CD2 3.83Å; Y241-L389 HydrophobicContact CE2-CB 4.34Å; Y241-L389 HydrophobicContact CE2-CD1 3.78Å; Y241-L389 HydrophobicContact CE2-CD2 4.16Å; Y241-L389 HydrophobicContact CE2-CG 4.31Å; Y241-L389 HydrophobicContact CG-CD1 4.45Å; Y241-L389 HydrophobicContact CG-CD2 3.98Å; A268-L389 HydrophobicContact CB-CD2 3.65Å; L385-L389 HydrophobicContact CB-CD1 4.38Å; L385-L389 HydrophobicContact CD2-CD1 4.4Å; L385-L389 VanDerWaalsContact O-CB 3.23Å; L385-L389 WeakPolarHBondContact O-CB 3.33Å; L385-L389 VanDerWaalsContact O-CG 3.29Å; L385-L389 WeakPolarHBondContact O-CG 3.25Å; L385-L389 PolarHBondContact O-N 3.29Å; L389-K391 PolarHBondContact O-N 2.93Å
390	G	74.5	Confident	70	Confident	61 Å²	61	90.4 Å²	90.4	63%	0.629	46%	0.456	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.4	15.9	165.6	0	0	0	0	0	116.6	R386 S392	R386-G390 PolarHBondContact O-N 3.33Å; G390-S392 PolarHBondContact O-N 3.21Å
391	K	59.6	Low	68.5	Low	73 Å²	73	90.9 Å²	90.9	32%	0.317	46%	0.46	S	S	.	.			trans	-68.6	102.7	172.9	-76.8	-173.5	176.8	177.7	0	110.7	R386 L389	R386-K391 HydrophobicContact CG-CB 4.46Å; R386-K391 WeakPolarHBondContact CG-O 3.5Å; L389-K391 PolarHBondContact O-N 2.93Å
392	S	36.1	Very low	66.8	Low	107 Å²	107	96.2 Å²	96.2	75%	0.748	49%	0.487	S	S	*	.			trans	-58.3	153.6	154.8	49.4	0	0	0	0	110.1	G390	G390-S392 PolarHBondContact O-N 3.21Å
393	E	35	Very low	65	Low	138 Å²	138	99.3 Å²	99.3	65%	0.645	50%	0.498	S	S	*	.			trans	-70.5	143.2	176.6	-58.4	-166.1	137.4	0	0	110.4	R386 E395	R386-E393 IonicContact CZ-OE1 3.71Å; R386-E393 IonicContact NH1-OE1 2.66Å; R386-E393 PolarHBondContact NH1-OE1 3.24Å; E393-E395 PolarHBondContact O-N 3.42Å
394	P	35.3	Very low	63	Low	108 Å²	108	98.4 Å²	98.4	70%	0.701	50%	0.503	S	S	*	.			trans	-66.4	114.8	159.3	29.2	-30.6	0	0	0	107.4	H396	P394-H396 PolarHBondContact O-N 3.31Å; P394-H396 PolarHBondContact O-ND1 2.87Å
395	E	31.6	Very low	60.5	Low	160 Å²	160	104.9 Å²	104.9	75%	0.748	54%	0.536	S	S	*	.			trans	-49.4	125.6	177.9	-66.8	-174.3	146.6	0	0	110	E393 Q397	E393-E395 PolarHBondContact O-N 3.42Å; E395-Q397 PolarHBondContact O-N 3.14Å
396	H	33.3	Very low	57.7	Low	156 Å²	156	112.8 Å²	112.8	72%	0.722	58%	0.577	S	S	*	*			trans	-72.5	84.3	170.5	-82.6	32.7	0	0	0	109.1	P394 H398	P394-H396 PolarHBondContact O-N 3.31Å; P394-H396 PolarHBondContact O-ND1 2.87Å; H396-H398 PolarHBondContact O-N 3.41Å
397	Q	31.3	Very low	54.7	Low	171 Å²	171	111.9 Å²	111.9	80%	0.799	59%	0.586	S	S	*	*			trans	-67.7	99.5	163.2	-66	-172.9	-1.2	0	0	107.7	E395	E395-Q397 PolarHBondContact O-N 3.14Å
398	H	35.8	Very low	51.1	Low	238 Å²	238	113.1 Å²	113.1	100%	1.102	60%	0.597	S	S	*	*			trans	-81.9	0	174.9	-88.3	-65.6	0	0	0	112.1	H396	H396-H398 PolarHBondContact O-N 3.41Å

Retrieved 398 of 398 residues in 1173.4 ms (Link to these results)

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