A0A096NIU0_PAPAN Loading...

Platelet-activating factor acetylhydrolase

AlphaFold DB , UniProt , Accession A0A096NIU0, Species PAPAN (Papio anubis, Olive baboon), Gene PLA2G7, Length 439 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	29.3	Very low	36.3	Very low	250 Å²	250	155.3 Å²	155.3	100%	1.232	86%	0.86	S	S	*	*				0	122.2	0	-80	169.1	168.1	0	0	108.4
2	V	40.5	Very low	35.9	Very low	135 Å²	135	156.1 Å²	156.1	82%	0.818	86%	0.86	S	S	*	*			trans	-89.5	146	174.5	172.7	0	0	0	0	106.6
3	P	46.4	Very low	35.7	Very low	119 Å²	119	153.5 Å²	153.5	77%	0.773	86%	0.857	S	S	*	*				-157	-169.7	69.7	39.6	-15.1	0	0	0	115.6
4	P	43.8	Very low	35.3	Very low	121 Å²	121	147.4 Å²	147.4	79%	0.786	85%	0.847	S	S	*	*			cis	-122.9	139.6	-9.1	23.2	-0.9	0	0	0	114.9
5	K	43.8	Very low	35.3	Very low	190 Å²	190	145.7 Å²	145.7	83%	0.826	85%	0.845	S	S	*	*			trans	-94.6	160.1	154.6	-70.8	178	174.6	175.3	0	108.4
6	L	34.1	Very low	35.1	Very low	155 Å²	155	147.8 Å²	147.8	81%	0.812	85%	0.851	S	S	*	*			trans	76.9	92.4	175.7	-77	82.5	0	0	0	116.1
7	C	33.1	Very low	34.6	Very low	129 Å²	129	145.2 Å²	145.2	87%	0.872	85%	0.851	S	S	*	*	S	Bend	trans	-151.7	13.2	151.4	-126.9	0	0	0	0	116.3
8	V	31.9	Very low	34.5	Very low	133 Å²	133	144.7 Å²	144.7	81%	0.806	85%	0.85	S	S	*	*	S	Bend	trans	-124.6	-3.2	-177.9	-171.4	0	0	0	0	114
9	L	32.2	Very low	34.2	Very low	169 Å²	169	143.1 Å²	143.1	89%	0.885	84%	0.841	S	S	*	*	S	Bend	trans	-93.3	5.7	178.5	-140	82.1	0	0	0	114.9
10	F	32.3	Very low	33.8	Very low	179 Å²	179	144.2 Å²	144.2	79%	0.785	84%	0.838	S	S	*	*	S	Bend	trans	-114.4	1.3	-173.6	-110.1	-83.1	0	0	0	116
11	C	31.9	Very low	33.8	Very low	128 Å²	128	142.5 Å²	142.5	87%	0.865	83%	0.831	S	S	*	*	S	Bend	trans	-92.7	8.6	-178.5	-99.1	0	0	0	0	115.8
12	L	31.1	Very low	33.8	Very low	165 Å²	165	140.2 Å²	140.2	86%	0.864	82%	0.815	S	S	*	*	S	Bend	trans	-129.1	5.1	-178.9	-89.9	160.5	0	0	0	116
13	C	33.2	Very low	33.1	Very low	122 Å²	122	141.3 Å²	141.3	82%	0.824	82%	0.816	S	S	*	*	S	Bend	trans	-121.4	25.5	175	-66	0	0	0	0	113.4
14	G	30.5	Very low	32.2	Very low	69 Å²	69	147.8 Å²	147.8	71%	0.711	83%	0.826	S	S	*	*			trans	-99.7	7.4	-174.7	0	0	0	0	0	116.3
15	C	36	Very low	31.5	Very low	121 Å²	121	150.2 Å²	150.2	82%	0.818	83%	0.826	S	S	*	*	S	Bend	trans	-137	85.2	178.4	-68.8	0	0	0	0	109.6
16	L	31.6	Very low	30.7	Very low	180 Å²	180	151.5 Å²	151.5	94%	0.942	83%	0.827	S	S	*	*	S	Bend	trans	160	96.2	146.3	-86	161.8	0	0	0	109.1
17	A	27.3	Very low	30.4	Very low	103 Å²	103	152.4 Å²	152.4	85%	0.851	83%	0.832	S	S	*	*			trans	152.4	87.7	143	0	0	0	0	0	109.8
18	V	31.8	Very low	30.2	Very low	137 Å²	137	153.3 Å²	153.3	83%	0.83	83%	0.828	S	S	*	*			trans	-99.7	147.1	148.7	-177.4	0	0	0	0	105.6
19	V	29.4	Very low	30.6	Very low	113 Å²	113	151.5 Å²	151.5	69%	0.685	82%	0.82	S	S	*	*			trans	103.9	74	165.2	-165.6	0	0	0	0	116.3
20	H	26.8	Very low	30.8	Very low	166 Å²	166	150.6 Å²	150.6	77%	0.769	82%	0.821	S	S	*	*				157.2	143.3	110.9	-91.6	-55	0	0	0	112.7
21	P	32.9	Very low	30.5	Very low	109 Å²	109	146.3 Å²	146.3	71%	0.708	82%	0.818	S	S	*	*			trans	-90.1	128.8	177.1	34.5	-26.9	0	0	0	110.1
22	F	28.6	Very low	30.5	Very low	201 Å²	201	148.6 Å²	148.6	88%	0.882	82%	0.816	S	S	*	*			trans	-143.9	130.4	166.7	-105.2	-83.4	0	0	0	111.9
23	D	26.9	Very low	30.4	Very low	159 Å²	159	149.3 Å²	149.3	85%	0.85	82%	0.817	S	S	*	*			trans	-59.8	144.8	-173.7	-79.8	-53.4	0	0	0	114.5	Q25	D23-Q25 PolarHBondContact O-N 3.06Å
24	W	27.1	Very low	30.6	Very low	255 Å²	255	152.4 Å²	152.4	97%	0.966	82%	0.817	S	S	*	*			trans	-82.7	102.3	170.3	-105.6	59	0	0	0	110.1
25	Q	28.3	Very low	31.1	Very low	171 Å²	171	153.1 Å²	153.1	80%	0.799	81%	0.81	S	S	*	*			trans	-152.3	122.8	156.6	-107.2	172.4	26.4	0	0	110.1	D23	D23-Q25 PolarHBondContact O-N 3.06Å
26	Y	28.4	Very low	31.9	Very low	217 Å²	217	151.3 Å²	151.3	85%	0.851	80%	0.799	S	S	*	*			trans	64.7	114.6	170.4	-71.5	-92.9	0	0	0	118.1
27	L	27.3	Very low	32.3	Very low	175 Å²	175	145.8 Å²	145.8	92%	0.916	78%	0.779	S	S	*	*				174	118.3	120	-88.1	158.2	0	0	0	110.7
28	N	27.8	Very low	32.6	Very low	147 Å²	147	149.4 Å²	149.4	79%	0.786	77%	0.771	S	S	*	*			trans	-96.9	162.5	151.5	-153.2	11.7	0	0	0	105.7
29	P	42.2	Very low	33.3	Very low	96 Å²	96	145.3 Å²	145.3	62%	0.623	75%	0.746	S	S	*	*			cis	-133.2	179.8	-6.9	27.1	-2.1	0	0	0	113.3
30	V	35.6	Very low	34	Very low	150 Å²	150	144.3 Å²	144.3	91%	0.909	74%	0.737	S	S	*	*			trans	26.1	94.8	156.7	-171.4	0	0	0	0	117.3
31	A	24.9	Very low	34.6	Very low	89 Å²	89	143.3 Å²	143.3	74%	0.736	73%	0.73	S	S	*	*			trans	-157.8	122.2	153.2	0	0	0	0	0	111
32	H	32.7	Very low	35.3	Very low	175 Å²	175	141.1 Å²	141.1	81%	0.81	71%	0.712	S	S	*	*			trans	40	108	154.3	-79.2	-74.2	0	0	0	119.7
33	M	30	Very low	36.3	Very low	181 Å²	181	134 Å²	134	89%	0.892	68%	0.682	S	S	*	*			trans	-142.4	108.7	139.6	-110.2	179.9	72.6	0	0	110.9	S35	M33-S35 PolarHBondContact O-N 2.73Å; M33-S35 VanDerWaalsContact O-N 3.08Å
34	K	35.9	Very low	37.3	Very low	187 Å²	187	131.3 Å²	131.3	81%	0.813	67%	0.671	S	S	*	*			trans	-55.6	105.3	167.5	-74	174.3	172.9	175.9	0	108.8
35	S	42.2	Very low	38	Very low	83 Å²	83	124.9 Å²	124.9	58%	0.58	66%	0.655	S	S	*	*			trans	-91.2	-2.1	-177.6	68.6	0	0	0	0	114.9	M33 V39	M33-S35 PolarHBondContact O-N 2.73Å; M33-S35 VanDerWaalsContact O-N 3.08Å; S35-V39 WeakPolarHBondContact O-CB 3.29Å; S35-V39 WeakPolarHBondContact O-CG2 3.46Å; S35-V39 PolarHBondContact O-N 3.45Å
36	S	51.9	Low	38.9	Very low	83 Å²	83	121.9 Å²	121.9	58%	0.58	64%	0.642	S	S	*	*	H	α-helix	trans	-73.5	-41.7	-172.8	57.3	0	0	0	0	113.9	N40	S36-N40 VanDerWaalsContact O-CB 3.26Å; S36-N40 WeakPolarHBondContact O-CB 3.46Å; S36-N40 PolarHBondContact O-N 2.94Å; S36-N40 PolarHBondContact O-ND2 2.86Å; S36-N40 PolarHBondContact O-OD1 3.05Å
37	A	40.3	Very low	39.6	Very low	64 Å²	64	114.9 Å²	114.9	53%	0.529	63%	0.629	S	S	.	*	H	α-helix	trans	-77.7	-34.6	-172.2	0	0	0	0	0	113.6	K41	A37-K41 WeakPolarHBondContact O-CB 3.41Å; A37-K41 WeakPolarHBondContact O-CG 3.46Å; A37-K41 PolarHBondContact O-N 3.11Å
38	W	33.8	Very low	40.1	Very low	180 Å²	180	109.8 Å²	109.8	68%	0.682	61%	0.612	S	S	*	*	H	α-helix	trans	-79	-39.9	-178.2	-172.7	80.6	0	0	0	112	K41 I42	W38-K41 PolarHBondContact O-N 2.81Å; W38-I42 HydrophobicContact CD2-CD1 3.69Å; W38-I42 HydrophobicContact CD2-CG1 4.49Å; W38-I42 VanDerWaalsContact CE2-CD1 3.49Å; W38-I42 HydrophobicContact CE3-CD1 3.66Å; W38-I42 HydrophobicContact CH2-CD1 3.31Å; W38-I42 HydrophobicContact CZ2-CD1 3.34Å; W38-I42 HydrophobicContact CZ3-CD1 3.47Å; W38-I42 VanDerWaalsContact CZ3-CD1 3.47Å; W38-I42 PolarHBondContact O-N 3.09Å
39	V	47.4	Very low	40.7	Very low	50 Å²	50	105.9 Å²	105.9	30%	0.303	60%	0.6	S	S	.	*	H	α-helix	trans	-63.3	-43.3	173	176.3	0	0	0	0	110.4	S35 K41 I42 Q43 L123	S35-V39 WeakPolarHBondContact O-CB 3.29Å; S35-V39 WeakPolarHBondContact O-CG2 3.46Å; S35-V39 PolarHBondContact O-N 3.45Å; V39-K41 VanDerWaalsContact C-N 3.34Å; V39-K41 PolarHBondContact O-N 2.76Å; V39-I42 PolarHBondContact O-N 3.02Å; V39-Q43 WeakPolarHBondContact O-CB 3.39Å; V39-Q43 WeakPolarHBondContact O-CG 3.41Å; V39-Q43 PolarHBondContact O-N 3Å; V39-L123 HydrophobicContact CG1-CD1 4.3Å
40	N	43.6	Very low	40.6	Very low	92 Å²	92	104.3 Å²	104.3	49%	0.492	59%	0.592	S	S	.	*	H	α-helix	trans	-61.2	-41.3	174.3	-75.9	-1.7	0	0	0	111.9	S36 Q43 V44	S36-N40 VanDerWaalsContact O-CB 3.26Å; S36-N40 WeakPolarHBondContact O-CB 3.46Å; S36-N40 PolarHBondContact O-N 2.94Å; S36-N40 PolarHBondContact O-ND2 2.86Å; S36-N40 PolarHBondContact O-OD1 3.05Å; N40-Q43 PolarHBondContact O-N 3.19Å; N40-V44 WeakPolarHBondContact O-CB 3.34Å; N40-V44 WeakPolarHBondContact O-CG2 3.38Å; N40-V44 PolarHBondContact O-N 3.27Å
41	K	39.3	Very low	40.6	Very low	145 Å²	145	106.5 Å²	106.5	63%	0.63	59%	0.589	S	S	*	*	H	α-helix	trans	-64	-40.6	176.8	-83.1	-178.2	176.3	-174.4	0	112.6	A37 W38 V39 V44 L45	A37-K41 WeakPolarHBondContact O-CB 3.41Å; A37-K41 WeakPolarHBondContact O-CG 3.46Å; A37-K41 PolarHBondContact O-N 3.11Å; W38-K41 PolarHBondContact O-N 2.81Å; V39-K41 VanDerWaalsContact C-N 3.34Å; V39-K41 PolarHBondContact O-N 2.76Å; K41-V44 PolarHBondContact O-N 3.33Å; K41-L45 WeakPolarHBondContact O-CB 3.27Å; K41-L45 PolarHBondContact O-N 3.32Å
42	I	47.4	Very low	41.3	Very low	64 Å²	64	104.8 Å²	104.8	33%	0.328	58%	0.58	S	S	.	*	H	α-helix	trans	-68.3	-40.4	175.9	-71	175.7	0	0	0	111.2	W38 V39 V44 L45 M46	W38-I42 HydrophobicContact CD2-CD1 3.69Å; W38-I42 HydrophobicContact CD2-CG1 4.49Å; W38-I42 VanDerWaalsContact CE2-CD1 3.49Å; W38-I42 HydrophobicContact CE3-CD1 3.66Å; W38-I42 HydrophobicContact CH2-CD1 3.31Å; W38-I42 HydrophobicContact CZ2-CD1 3.34Å; W38-I42 HydrophobicContact CZ3-CD1 3.47Å; W38-I42 VanDerWaalsContact CZ3-CD1 3.47Å; W38-I42 PolarHBondContact O-N 3.09Å; V39-I42 PolarHBondContact O-N 3.02Å; I42-V44 VanDerWaalsContact C-N 3.35Å; I42-V44 PolarHBondContact O-N 2.92Å; I42-L45 PolarHBondContact O-N 3.08Å; I42-M46 HydrophobicContact CG2-CG 4.21Å; I42-M46 WeakPolarHBondContact O-CB 3.35Å; I42-M46 VanDerWaalsContact O-CG 3.24Å; I42-M46 WeakPolarHBondContact O-CG 3.43Å; I42-M46 PolarHBondContact O-N 3.26Å
43	Q	49.1	Very low	42.1	Very low	51 Å²	51	104 Å²	104	24%	0.238	58%	0.577	C	S	.	*	H	α-helix	trans	-61.6	-42.8	174.5	-78.5	178.6	-34.9	0	0	111.7	V39 N40 M46 A47 L123	V39-Q43 WeakPolarHBondContact O-CB 3.39Å; V39-Q43 WeakPolarHBondContact O-CG 3.41Å; V39-Q43 PolarHBondContact O-N 3Å; N40-Q43 PolarHBondContact O-N 3.19Å; Q43-M46 PolarHBondContact O-N 3.34Å; Q43-A47 VanDerWaalsContact O-CB 3.23Å; Q43-A47 WeakPolarHBondContact O-CB 3.21Å; Q43-A47 PolarHBondContact O-N 3.09Å; Q43-L123 HydrophobicContact CG-CD1 4.35Å; Q43-L123 PolarHBondContact NE2-O 2.81Å
44	V	47.4	Very low	43.8	Very low	102 Å²	102	97.3 Å²	97.3	62%	0.618	55%	0.55	S	S	*	.	H	α-helix	trans	-65.6	-41.5	176	171.1	0	0	0	0	111.5	N40 K41 I42 A47 A48	N40-V44 WeakPolarHBondContact O-CB 3.34Å; N40-V44 WeakPolarHBondContact O-CG2 3.38Å; N40-V44 PolarHBondContact O-N 3.27Å; K41-V44 PolarHBondContact O-N 3.33Å; I42-V44 VanDerWaalsContact C-N 3.35Å; I42-V44 PolarHBondContact O-N 2.92Å; V44-A47 PolarHBondContact O-N 2.76Å; V44-A48 VanDerWaalsContact O-CB 3.3Å; V44-A48 WeakPolarHBondContact O-CB 3.37Å; V44-A48 PolarHBondContact O-N 3.43Å
45	L	42.5	Very low	46.3	Very low	121 Å²	121	94.7 Å²	94.7	63%	0.634	54%	0.539	S	S	*	.	H	α-helix	trans	-66.7	-37.6	176.9	-95	148.1	0	0	0	112.8	K41 I42 A48 A49	K41-L45 WeakPolarHBondContact O-CB 3.27Å; K41-L45 PolarHBondContact O-N 3.32Å; I42-L45 PolarHBondContact O-N 3.08Å; L45-A48 PolarHBondContact O-N 3.29Å; L45-A49 PolarHBondContact O-N 3.19Å
46	M	47.9	Very low	48.8	Very low	108 Å²	108	91.4 Å²	91.4	53%	0.532	52%	0.515	S	S	.	.	H	α-helix	trans	-77.1	-31.9	177	-67.8	-65.7	-73.9	0	0	112.3	I42 Q43 A48 A49 S50	I42-M46 HydrophobicContact CG2-CG 4.21Å; I42-M46 WeakPolarHBondContact O-CB 3.35Å; I42-M46 VanDerWaalsContact O-CG 3.24Å; I42-M46 WeakPolarHBondContact O-CG 3.43Å; I42-M46 PolarHBondContact O-N 3.26Å; Q43-M46 PolarHBondContact O-N 3.34Å; M46-A48 VanDerWaalsContact C-N 3.33Å; M46-A49 PolarHBondContact O-N 2.78Å; M46-S50 PolarHBondContact O-N 3.18Å; M46-S50 PolarHBondContact O-OG 3.11Å
47	A	42.9	Very low	50.9	Low	69 Å²	69	88.9 Å²	88.9	57%	0.57	50%	0.496	S	S	*	.	H	α-helix	trans	-63.6	-40.7	167.4	0	0	0	0	0	111	Q43 V44 A49 S50	Q43-A47 VanDerWaalsContact O-CB 3.23Å; Q43-A47 WeakPolarHBondContact O-CB 3.21Å; Q43-A47 PolarHBondContact O-N 3.09Å; V44-A47 PolarHBondContact O-N 2.76Å; A47-A49 VanDerWaalsContact C-N 3.33Å; A47-A49 PolarHBondContact O-N 3.37Å; A47-S50 WeakPolarHBondContact O-CB 3.26Å; A47-S50 PolarHBondContact O-N 3.07Å
48	A	38.1	Very low	53.5	Low	68 Å²	68	92.2 Å²	92.2	56%	0.562	50%	0.499	S	S	*	.	H	α-helix	trans	-69.1	-27.5	175.3	0	0	0	0	0	113.5	V44 L45 M46 S50	V44-A48 VanDerWaalsContact O-CB 3.3Å; V44-A48 WeakPolarHBondContact O-CB 3.37Å; V44-A48 PolarHBondContact O-N 3.43Å; L45-A48 PolarHBondContact O-N 3.29Å; M46-A48 VanDerWaalsContact C-N 3.33Å; A48-S50 PolarHBondContact O-N 3.24Å
49	A	39	Very low	56.5	Low	65 Å²	65	84.6 Å²	84.6	54%	0.537	48%	0.476	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.8	-9	174.4	0	0	0	0	0	113.5	L45 M46 A47 F51	L45-A49 PolarHBondContact O-N 3.19Å; M46-A49 PolarHBondContact O-N 2.78Å; A47-A49 VanDerWaalsContact C-N 3.33Å; A47-A49 PolarHBondContact O-N 3.37Å; A49-F51 VanDerWaalsContact C-N 3.29Å; A49-F51 PolarHBondContact O-N 3.47Å; A49-F51 VanDerWaalsContact O-N 3.1Å
50	S	41.5	Very low	58.9	Low	64 Å²	64	86.7 Å²	86.7	45%	0.448	49%	0.486	S	S	.	.	S	Bend	trans	-81.7	75.4	168.9	-58.1	0	0	0	0	109.4	M46 A47 A48 G52	M46-S50 PolarHBondContact O-N 3.18Å; M46-S50 PolarHBondContact O-OG 3.11Å; A47-S50 WeakPolarHBondContact O-CB 3.26Å; A47-S50 PolarHBondContact O-N 3.07Å; A48-S50 PolarHBondContact O-N 3.24Å; S50-G52 PolarHBondContact O-N 3.43Å; S50-G52 VanDerWaalsContact O-N 3.09Å
51	F	34.2	Very low	61.5	Low	195 Å²	195	83.1 Å²	83.1	86%	0.855	47%	0.47	S	S	*	.			trans	-59.9	112.5	173.6	-91.1	-94.8	0	0	0	110.2	A49	A49-F51 VanDerWaalsContact C-N 3.29Å; A49-F51 PolarHBondContact O-N 3.47Å; A49-F51 VanDerWaalsContact O-N 3.1Å
52	G	39.9	Very low	64.2	Low	53 Å²	53	81.9 Å²	81.9	55%	0.546	48%	0.477	S	S	.	.	S	Bend	trans	106.8	117.8	-174	0	0	0	0	0	111	S50 A54	S50-G52 PolarHBondContact O-N 3.43Å; S50-G52 VanDerWaalsContact O-N 3.09Å; G52-A54 VanDerWaalsContact C-N 3.29Å; G52-A54 PolarHBondContact O-N 3.15Å
53	E	50.8	Low	66.6	Low	160 Å²	160	80.6 Å²	80.6	75%	0.748	47%	0.468	S	S	*	.			trans	-58.8	79.6	-174.2	-63.4	-168.2	110.2	0	0	113.1	K55	E53-K55 VanDerWaalsContact C-N 3.29Å; E53-K55 HydrophobicContact CB-CD 4.37Å; E53-K55 PolarHBondContact O-N 3Å; E53-K55 IonicContact OE1-NZ 3.66Å; E53-K55 PolarHBondContact OE1-NZ 2.67Å
54	A	64.3	Low	68.9	Low	39 Å²	39	79.4 Å²	79.4	32%	0.322	47%	0.465	S	S	.	.			trans	-69.1	86.3	172.8	0	0	0	0	0	109	G52 F359	G52-A54 VanDerWaalsContact C-N 3.29Å; G52-A54 PolarHBondContact O-N 3.15Å; A54-F359 CarbonylContact C-O 3.6Å; A54-F359 VanDerWaalsContact CA-O 3.26Å; A54-F359 WeakPolarHBondContact CA-O 3.47Å; A54-F359 VanDerWaalsContact CB-O 3.26Å; A54-F359 WeakPolarHBondContact CB-O 3.31Å
55	K	88	Confident	71.3	Confident	133 Å²	133	75 Å²	75	58%	0.578	44%	0.438	S	S	*	.			trans	-132.4	140.9	-179.3	-66.9	174.9	-177.2	164.6	0	108.8	E53 F359	E53-K55 VanDerWaalsContact C-N 3.29Å; E53-K55 HydrophobicContact CB-CD 4.37Å; E53-K55 PolarHBondContact O-N 3Å; E53-K55 IonicContact OE1-NZ 3.66Å; E53-K55 PolarHBondContact OE1-NZ 2.67Å; K55-F359 PolarHBondContact N-O 3.45Å
56	I	95	Very high	74	Confident	14 Å²	14	69.2 Å²	69.2	7%	0.072	41%	0.408	C	S	.	.	P	Polyproline II helix	trans	-62.6	129.1	171.4	-62.9	167.9	0	0	0	107.4	W97 P131 A162 D356 F359	I56-W97 HydrophobicContact CD1-CD2 4.03Å; I56-W97 HydrophobicContact CD1-CG 3.87Å; I56-P131 WeakPolarHBondContact O-CG 3.36Å; I56-A162 HydrophobicContact CG2-CB 4.05Å; I56-D356 HydrophobicContact CD1-CB 3.94Å; I56-D356 HydrophobicContact CG1-CB 4.27Å; I56-F359 HydrophobicContact CG1-CB 4.2Å
57	P	96	Very high	76.4	Confident	30 Å²	30	64 Å²	64	20%	0.195	38%	0.383	C	S	.	.	P	Polyproline II helix	trans	-66.4	152.8	-175.7	26.6	-34.8	0	0	0	111.5	P131 A162 F359 I381	P57-P131 WeakPolarHBondContact O-CG 3.29Å; P57-A162 HydrophobicContact CG-CB 4.22Å; P57-F359 HydrophobicContact CG-CD1 4.49Å; P57-F359 HydrophobicContact CG-CE1 4.07Å; P57-F359 HydrophobicContact CG-CE2 4.26Å; P57-F359 HydrophobicContact CG-CZ 3.97Å; P57-I381 HydrophobicContact CG-CG2 4.39Å
58	K	96.1	Very high	79.1	Confident	133 Å²	133	60.8 Å²	60.8	58%	0.578	36%	0.356	S	S	*	.	P	Polyproline II helix	trans	-70	162.6	167.7	-60.6	-170.2	-179.4	-170.6	0	109.5	L93 P131	K58-L93 HydrophobicContact CD-CD1 4.33Å; K58-P131 HydrophobicContact CG-CB 3.88Å; K58-P131 HydrophobicContact CG-CG 4.2Å
59	G	96.8	Very high	82	Confident	20 Å²	20	57.9 Å²	57.9	21%	0.206	33%	0.331	C	S	.	.	P	Polyproline II helix	trans	-69	145.1	167.8	0	0	0	0	0	111.1	S169	G59-S169 WeakPolarHBondContact CA-OG 3.38Å
60	N	97.5	Very high	84.8	Confident	95 Å²	95	54.8 Å²	54.8	51%	0.508	31%	0.305	S	S	.	.			trans	-90.9	-4.8	-177.4	-68.9	-37.7	0	0	0	113.5	D166 S169 D382	N60-D166 PolarHBondContact N-OD1 2.65Å; N60-S169 PolarHBondContact N-OG 3.4Å; N60-D382 PolarHBondContact ND2-OD1 2.58Å
61	G	97.6	Very high	87.6	Confident	16 Å²	16	51.8 Å²	51.8	17%	0.165	28%	0.284	C	S	.	.	S	Bend	trans	-83.6	171.8	-179.9	0	0	0	0	0	113.6	Y63 S169 H170	G61-Y63 PolarHBondContact O-N 2.94Å; G61-S169 CarbonylContact C-O 3.58Å; G61-S169 WeakPolarHBondContact CA-O 3.34Å; G61-S169 WeakPolarHBondContact CA-OG 3.43Å; G61-S169 PolarHBondContact N-OG 2.99Å; G61-H170 WeakPolarHBondContact CA-NE2 3.47Å; G61-H170 PolarHBondContact N-CE1 3.31Å; G61-H170 VanDerWaalsContact N-CE1 3.31Å
62	P	96.7	Very high	90.6	Very high	119 Å²	119	45.3 Å²	45.3	77%	0.773	26%	0.256	S	S	*	.	S	Bend	trans	-78.1	-14.4	-172.3	31.1	-36.7	0	0	0	114.9	S169	P62-S169 VanDerWaalsContact CD-O 3.29Å; P62-S169 WeakPolarHBondContact CD-O 3.48Å; P62-S169 VanDerWaalsContact N-O 3.14Å
63	Y	97.6	Very high	93.2	Very high	38 Å²	38	46 Å²	46	15%	0.149	25%	0.247	C	C	.	.	S	Bend	trans	-87.7	136.6	-179.1	-62.1	-99.3	0	0	0	110.6	G61 P86 E142 Y144 S169 K400	G61-Y63 PolarHBondContact O-N 2.94Å; Y63-P86 HydrophobicContact CD1-CB 3.73Å; Y63-P86 HydrophobicContact CD1-CG 4.37Å; Y63-P86 HydrophobicContact CE1-CB 4.44Å; Y63-P86 HydrophobicContact CG-CB 4.09Å; Y63-P86 HydrophobicContact CG-CG 4.49Å; Y63-E142 PolarHBondContact OH-OE1 3.48Å; Y63-E142 PolarHBondContact OH-OE2 2.94Å; Y63-Y144 HydrophobicContact CE1-CE1 4.35Å; Y63-S169 WeakPolarHBondContact CB-O 3.39Å; Y63-S169 VanDerWaalsContact CD2-O 3.3Å; Y63-S169 WeakPolarHBondContact CD2-O 3.29Å; Y63-S169 PolarHBondContact N-O 3.22Å; Y63-S169 WeakPolarHBondContact O-CA 3.37Å; Y63-S169 WeakPolarHBondContact O-CB 3.18Å; Y63-K400 PolarHBondContact OH-NZ 3.03Å; Y63-K400 VanDerWaalsContact OH-NZ 3.11Å
64	S	97.4	Very high	95.4	Very high	25 Å²	25	40.2 Å²	40.2	18%	0.175	22%	0.22	C	C	.	.			trans	-66.4	155.2	162.4	65.5	0	0	0	0	109.8	P86 S87 D89	S64-P86 CarbonylContact O-C 3.56Å; S64-P86 WeakPolarHBondContact O-CA 3.17Å; S64-S87 VanDerWaalsContact C-OG 3.25Å; S64-S87 PolarHBondContact O-N 2.67Å; S64-S87 PolarHBondContact O-OG 2.81Å; S64-S87 PolarHBondContact OG-O 2.87Å; S64-S87 VanDerWaalsContact OG-O 3.11Å; S64-S87 PolarHBondContact OG-OG 3.07Å; S64-D89 WeakPolarHBondContact CB-O 3.42Å; S64-D89 PolarHBondContact OG-O 3.09Å
65	V	98.5	Very high	97	Very high	9 Å²	9	40.1 Å²	40.1	6%	0.055	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	121.8	-170.1	-179.8	0	0	0	0	111.6	Y85 S87 A132 N133 I165 A168	V65-Y85 CarbonylContact C-O 3.58Å; V65-Y85 WeakPolarHBondContact CA-O 3.3Å; V65-S87 PolarHBondContact N-OG 3.4Å; V65-A132 HydrophobicContact CG1-CB 4.12Å; V65-A132 CarbonylContact O-C 3.11Å; V65-A132 WeakPolarHBondContact O-CA 3.34Å; V65-N133 PolarHBondContact O-N 3.16Å; V65-N133 PolarHBondContact O-ND2 2.66Å; V65-I165 HydrophobicContact CB-CG2 4.16Å; V65-I165 HydrophobicContact CG1-CB 4.4Å; V65-I165 HydrophobicContact CG1-CG1 4.21Å; V65-I165 HydrophobicContact CG1-CG2 4.19Å; V65-I165 HydrophobicContact CG2-CG2 3.99Å; V65-I165 WeakPolarHBondContact CG2-O 3.28Å; V65-A168 HydrophobicContact CB-CB 4.44Å; V65-A168 HydrophobicContact CG1-CB 3.67Å; V65-A168 HydrophobicContact CG2-CB 3.96Å
66	G	98.4	Very high	97.4	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	157.5	168.2	0	0	0	0	0	112	Y84 Y85 S87 N133	G66-Y84 WeakPolarHBondContact O-CA 3.14Å; G66-Y85 PolarHBondContact N-O 2.81Å; G66-Y85 PolarHBondContact O-N 3.4Å; G66-Y85 VanDerWaalsContact O-N 3.11Å; G66-S87 PolarHBondContact N-OG 3.23Å; G66-N133 VanDerWaalsContact CA-O 3.32Å; G66-N133 WeakPolarHBondContact CA-O 3.37Å
67	C	98.7	Very high	97.5	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	139.8	173.9	177.8	0	0	0	0	111.6	R82 L83 Y84 T95 A132 N133 W134 N135	C67-R82 VanDerWaalsContact SG-CD 3.52Å; C67-L83 VanDerWaalsContact CA-O 3.23Å; C67-L83 WeakPolarHBondContact CA-O 3.32Å; C67-Y84 HydrophobicContact CB-CD1 4.12Å; C67-Y84 HydrophobicContact CB-CE1 4.37Å; C67-T95 HydrophobicContact CB-CG2 4.06Å; C67-A132 HydrophobicContact CB-CB 3.63Å; C67-N133 PolarHBondContact N-O 3.1Å; C67-W134 HydrophobicContact CB-CE3 4.32Å; C67-W134 VanDerWaalsContact O-CE3 3.31Å; C67-N135 PolarHBondContact O-N 3.43Å
68	T	98.8	Very high	97.6	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	171.7	169.3	-164.5	0	0	0	0	111.1	R82 L83 Y85 N135 F253 M255	T68-R82 WeakPolarHBondContact O-CA 3.44Å; T68-L83 HydrophobicContact CG2-CB 4.13Å; T68-L83 HydrophobicContact CG2-CD1 4.12Å; T68-L83 PolarHBondContact N-O 2.95Å; T68-L83 VanDerWaalsContact N-O 3.1Å; T68-L83 PolarHBondContact O-N 2.93Å; T68-Y85 HydrophobicContact CG2-CE1 4Å; T68-N135 WeakPolarHBondContact CB-OD1 3.27Å; T68-N135 PolarHBondContact OG1-OD1 3.26Å; T68-F253 HydrophobicContact CG2-CB 4.2Å; T68-F253 HydrophobicContact CG2-CD1 3.8Å; T68-F253 HydrophobicContact CG2-CD2 4.46Å; T68-F253 HydrophobicContact CG2-CE1 4.27Å; T68-F253 HydrophobicContact CG2-CG 3.9Å; T68-M255 HydrophobicContact CG2-CE 3.86Å
69	D	98.9	Very high	97.7	Very high	8 Å²	8	39.2 Å²	39.2	4%	0.043	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	138.7	174.1	-74.5	-39.2	0	0	0	110.5	F80 L81 R82 W134 R157 N247 L249 L251	D69-F80 HydrophobicContact CB-CE2 4.34Å; D69-L81 WeakPolarHBondContact CA-O 3.32Å; D69-R82 WeakPolarHBondContact OD1-CA 3.37Å; D69-R82 VanDerWaalsContact OD1-CB 3.3Å; D69-R82 WeakPolarHBondContact OD1-CB 3.45Å; D69-R82 IonicContact OD1-CZ 3.91Å; D69-R82 IonicContact OD1-NE 3.56Å; D69-R82 PolarHBondContact OD1-NE 2.71Å; D69-R82 IonicContact OD1-NH2 3.65Å; D69-R82 IonicContact OD2-NE 3.55Å; D69-R82 IonicContact OD2-NH2 3.83Å; D69-R82 PolarHBondContact OD2-NH2 2.8Å; D69-W134 HydrophobicContact CB-CH2 4.18Å; D69-R157 VanDerWaalsContact CG-NH2 3.35Å; D69-R157 IonicContact OD1-CZ 2.71Å; D69-R157 IonicContact OD1-NE 3.69Å; D69-R157 PolarHBondContact OD1-NE 2.81Å; D69-R157 IonicContact OD1-NH2 3.7Å; D69-R157 IonicContact OD2-CZ 2.68Å; D69-R157 IonicContact OD2-NE 2.87Å; D69-R157 IonicContact OD2-NH2 3.43Å; D69-R157 PolarHBondContact OD2-NH2 3.23Å; D69-N247 PolarHBondContact O-ND2 3.2Å; D69-L249 HydrophobicContact CB-CD1 3.64Å; D69-L251 HydrophobicContact CB-CD1 4.05Å; D69-L251 VanDerWaalsContact O-CD1 3.27Å; D69-L251 WeakPolarHBondContact O-CD1 3.2Å
70	L	98.8	Very high	97.8	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	124.9	177.2	173.6	60	0	0	0	110.4	F72 F80 L81 L235 I239 V245 N247 M255	L70-F72 HydrophobicContact CD1-CB 4.36Å; L70-F80 CarbonylContact O-C 3.52Å; L70-F80 WeakPolarHBondContact O-CA 3.45Å; L70-F80 WeakPolarHBondContact O-CD2 3.35Å; L70-L81 HydrophobicContact CB-CD1 3.79Å; L70-L81 HydrophobicContact CB-CG 4.23Å; L70-L81 HydrophobicContact CD2-CD1 4.3Å; L70-L81 PolarHBondContact N-O 3.29Å; L70-L81 PolarHBondContact O-N 2.87Å; L70-L235 HydrophobicContact CD2-CD2 3.82Å; L70-L235 HydrophobicContact CD2-CG 4.35Å; L70-L235 HydrophobicContact CG-CD2 4.32Å; L70-I239 HydrophobicContact CD2-CD1 3.93Å; L70-V245 HydrophobicContact CD1-CG1 4.07Å; L70-N247 HydrophobicContact CD1-CB 4.19Å; L70-M255 HydrophobicContact CB-CE 3.88Å; L70-M255 HydrophobicContact CB-SD 4.37Å; L70-M255 HydrophobicContact CD1-CE 3.99Å; L70-M255 HydrophobicContact CD1-CG 4.14Å; L70-M255 HydrophobicContact CD1-SD 4.03Å; L70-M255 HydrophobicContact CD2-SD 4.11Å; L70-M255 HydrophobicContact CG-CE 4.38Å; L70-M255 HydrophobicContact CG-SD 4.39Å
71	M	98.8	Very high	97.9	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	115.9	169.1	-177	178.9	-65.3	0	0	110.5	T79 F80 Y188 F190 N247 A248 L249	M71-T79 CarbonylContact C-O 3.59Å; M71-T79 VanDerWaalsContact CA-O 3.28Å; M71-T79 WeakPolarHBondContact CA-O 3.42Å; M71-F80 HydrophobicContact CB-CD2 4.03Å; M71-F80 HydrophobicContact CB-CE2 4.34Å; M71-F80 HydrophobicContact CE-CD1 3.43Å; M71-F80 VanDerWaalsContact CE-CD1 3.43Å; M71-F80 HydrophobicContact CE-CD2 3.88Å; M71-F80 HydrophobicContact CE-CE1 3.37Å; M71-F80 HydrophobicContact CE-CE2 3.84Å; M71-F80 HydrophobicContact CE-CG 3.68Å; M71-F80 HydrophobicContact CE-CZ 3.58Å; M71-Y188 HydrophobicContact CE-CD2 3.87Å; M71-Y188 HydrophobicContact CE-CE2 3.55Å; M71-Y188 WeakPolarHBondContact CE-O 3.04Å; M71-F190 HydrophobicContact SD-CD2 3.82Å; M71-F190 HydrophobicContact SD-CE2 3.76Å; M71-N247 PolarHBondContact N-OD1 3.17Å; M71-N247 PolarHBondContact O-OD1 2.71Å; M71-A248 HydrophobicContact CB-CB 4.13Å; M71-A248 HydrophobicContact CG-CB 4.08Å; M71-A248 WeakPolarHBondContact O-CB 3.45Å; M71-A248 PolarHBondContact O-N 3.15Å; M71-A248 HydrophobicContact SD-CB 4.28Å; M71-L249 HydrophobicContact CB-CD1 4.3Å; M71-L249 HydrophobicContact CB-CD2 4.41Å; M71-L249 HydrophobicContact CB-CG 4Å
72	F	98.1	Very high	97.9	Very high	59 Å²	59	33.1 Å²	33.1	26%	0.259	17%	0.168	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.5	125.9	178.1	-178.1	-96.1	0	0	0	113.5	L70 G78 T79 L235 V245	L70-F72 HydrophobicContact CD1-CB 4.36Å; F72-G78 CarbonylContact O-C 3.56Å; F72-T79 PolarHBondContact N-O 3.06Å; F72-T79 WeakPolarHBondContact O-CB 3.34Å; F72-T79 PolarHBondContact O-N 3.19Å; F72-L235 HydrophobicContact CB-CD1 4.39Å; F72-L235 HydrophobicContact CB-CD2 3.92Å; F72-L235 HydrophobicContact CD1-CD1 3.44Å; F72-L235 VanDerWaalsContact CD1-CD1 3.44Å; F72-L235 HydrophobicContact CD1-CD2 4.23Å; F72-L235 HydrophobicContact CD1-CG 4.48Å; F72-L235 HydrophobicContact CE1-CD1 4.02Å; F72-L235 HydrophobicContact CG-CD1 4.18Å; F72-V245 HydrophobicContact CB-CG1 3.87Å; F72-V245 HydrophobicContact CD1-CG1 4.31Å; F72-V245 HydrophobicContact CD2-CG1 3.58Å; F72-V245 HydrophobicContact CE1-CG2 4.47Å; F72-V245 HydrophobicContact CE2-CG1 4.14Å; F72-V245 HydrophobicContact CG-CG1 3.65Å; F72-V245 HydrophobicContact CZ-CG2 4.46Å
73	D	93.8	Very high	98	Very high	68 Å²	68	27.4 Å²	27.4	36%	0.364	13%	0.131	S	C	.	.	S	Bend	cis	-67	-173.3	-12.9	69.2	17.1	0	0	0	111.9	T75 G78	D73-T75 PolarHBondContact O-N 3.29Å; D73-T75 WeakPolarHBondContact OD1-CA 3.36Å; D73-T75 VanDerWaalsContact OD1-CB 3.24Å; D73-T75 WeakPolarHBondContact OD1-CB 3.45Å; D73-T75 WeakPolarHBondContact OD1-CG2 3.43Å; D73-T75 PolarHBondContact OD1-N 3.36Å; D73-T75 PolarHBondContact OD1-OG1 2.97Å; D73-G78 WeakPolarHBondContact OD1-CA 3.4Å; D73-G78 PolarHBondContact OD1-N 2.78Å
74	H	96.9	Very high	98.1	Very high	38 Å²	38	25.7 Å²	25.7	18%	0.176	12%	0.124	C	C	.	.	S	Bend	trans	-74.1	-6.6	-179.2	65	-102.9	0	0	0	113.9	F190 N192 Q193 A196 A248	H74-F190 HydrophobicContact CB-CB 4.15Å; H74-F190 HydrophobicContact CB-CD2 4.06Å; H74-F190 PolarHBondContact CD2-O 2.87Å; H74-F190 PolarHBondContact O-N 3.38Å; H74-F190 VanDerWaalsContact O-O 3.11Å; H74-N192 WeakPolarHBondContact NE2-CA 3.29Å; H74-Q193 PolarHBondContact ND1-OE1 3.38Å; H74-Q193 PolarHBondContact NE2-N 2.87Å; H74-A196 HydrophobicContact CB-CB 4.25Å; H74-A248 HydrophobicContact CB-CB 3.7Å
75	T	98.1	Very high	98.2	Very high	38 Å²	38	24.5 Å²	24.5	23%	0.233	12%	0.116	C	C	.	.	S	Bend	trans	-88.7	169.9	-171	80.4	0	0	0	0	112.5	D73 K77 G78	D73-T75 PolarHBondContact O-N 3.29Å; D73-T75 WeakPolarHBondContact OD1-CA 3.36Å; D73-T75 VanDerWaalsContact OD1-CB 3.24Å; D73-T75 WeakPolarHBondContact OD1-CB 3.45Å; D73-T75 WeakPolarHBondContact OD1-CG2 3.43Å; D73-T75 PolarHBondContact OD1-N 3.36Å; D73-T75 PolarHBondContact OD1-OG1 2.97Å; T75-K77 PolarHBondContact O-N 2.8Å; T75-K77 VanDerWaalsContact O-N 3.12Å; T75-K77 PolarHBondContact OG1-N 3.11Å; T75-K77 VanDerWaalsContact OG1-N 3.17Å; T75-G78 PolarHBondContact O-N 2.88Å; T75-G78 VanDerWaalsContact O-N 3.09Å; T75-G78 PolarHBondContact OG1-N 3.41Å
76	K	96.1	Very high	98.2	Very high	118 Å²	118	24 Å²	24	51%	0.513	11%	0.114	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63	-14.5	173.4	69.9	180	-178	-179.8	0	114.5	Y189	K76-Y189 HydrophobicContact CB-CD1 4Å; K76-Y189 HydrophobicContact CB-CD2 3.94Å; K76-Y189 HydrophobicContact CB-CE1 4.28Å; K76-Y189 HydrophobicContact CB-CE2 4.21Å; K76-Y189 HydrophobicContact CB-CG 3.84Å
77	K	97.8	Very high	98.1	Very high	164 Å²	164	24.1 Å²	24.1	71%	0.713	11%	0.114	S	C	*	.	T	Hydrogen-bonded Turn	trans	-95.2	-16	177.2	-63.3	-176.2	-179.4	178.8	0	111.9	T75 Q231	T75-K77 PolarHBondContact O-N 2.8Å; T75-K77 VanDerWaalsContact O-N 3.12Å; T75-K77 PolarHBondContact OG1-N 3.11Å; T75-K77 VanDerWaalsContact OG1-N 3.17Å; K77-Q231 PolarHBondContact O-NE2 2.68Å; K77-Q231 PolarHBondContact O-OE1 2.93Å
78	G	97.8	Very high	97.8	Very high	4 Å²	4	28.8 Å²	28.8	4%	0.041	14%	0.136	C	C	.	.	S	Bend	trans	-68	171.7	174.4	0	0	0	0	0	112.3	F72 D73 T75 R180	F72-G78 CarbonylContact O-C 3.56Å; D73-G78 WeakPolarHBondContact OD1-CA 3.4Å; D73-G78 PolarHBondContact OD1-N 2.78Å; T75-G78 PolarHBondContact O-N 2.88Å; T75-G78 VanDerWaalsContact O-N 3.09Å; T75-G78 PolarHBondContact OG1-N 3.41Å; G78-R180 PolarHBondContact O-NH1 3.1Å
79	T	98.8	Very high	97.2	Very high	5 Å²	5	32.4 Å²	32.4	3%	0.031	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	137.4	176.2	-60.7	0	0	0	0	110	M71 F72 L81 Q231 A232 L235	M71-T79 CarbonylContact C-O 3.59Å; M71-T79 VanDerWaalsContact CA-O 3.28Å; M71-T79 WeakPolarHBondContact CA-O 3.42Å; F72-T79 PolarHBondContact N-O 3.06Å; F72-T79 WeakPolarHBondContact O-CB 3.34Å; F72-T79 PolarHBondContact O-N 3.19Å; T79-L81 HydrophobicContact CG2-CD2 3.58Å; T79-L81 HydrophobicContact CG2-CG 4.2Å; T79-Q231 PolarHBondContact OG1-NE2 3.16Å; T79-Q231 VanDerWaalsContact OG1-NE2 3.08Å; T79-A232 HydrophobicContact CG2-CB 3.84Å; T79-L235 HydrophobicContact CG2-CD2 3.96Å
80	F	98.9	Very high	96.1	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	136.4	159.6	-142	166.4	0	0	0	107.1	D69 L70 M71 R157 V177 E178 R180 Y188 L249	D69-F80 HydrophobicContact CB-CE2 4.34Å; L70-F80 CarbonylContact O-C 3.52Å; L70-F80 WeakPolarHBondContact O-CA 3.45Å; L70-F80 WeakPolarHBondContact O-CD2 3.35Å; M71-F80 HydrophobicContact CB-CD2 4.03Å; M71-F80 HydrophobicContact CB-CE2 4.34Å; M71-F80 HydrophobicContact CE-CD1 3.43Å; M71-F80 VanDerWaalsContact CE-CD1 3.43Å; M71-F80 HydrophobicContact CE-CD2 3.88Å; M71-F80 HydrophobicContact CE-CE1 3.37Å; M71-F80 HydrophobicContact CE-CE2 3.84Å; M71-F80 HydrophobicContact CE-CG 3.68Å; M71-F80 HydrophobicContact CE-CZ 3.58Å; F80-R157 VanDerWaalsContact CZ-NH1 3.26Å; F80-V177 WeakPolarHBondContact O-CA 3.36Å; F80-E178 HydrophobicContact CB-CB 3.79Å; F80-E178 HydrophobicContact CD1-CB 3.94Å; F80-E178 HydrophobicContact CD1-CG 4.4Å; F80-E178 WeakPolarHBondContact CD1-OE1 3.23Å; F80-E178 WeakPolarHBondContact CE1-OE1 3.47Å; F80-E178 HydrophobicContact CG-CB 4.15Å; F80-E178 PolarHBondContact O-N 2.82Å; F80-R180 VanDerWaalsContact CB-NH2 3.27Å; F80-R180 VanDerWaalsContact N-NH1 3.11Å; F80-Y188 AromaticContact CE1-CD1 3.89Å; F80-Y188 HydrophobicContact CE1-CD1 3.89Å; F80-Y188 AromaticContact CE1-CE1 3.47Å; F80-Y188 HydrophobicContact CE1-CE1 3.47Å; F80-Y188 VanDerWaalsContact CE1-CE1 3.47Å; F80-Y188 HydrophobicContact CE1-CE2 4.29Å; F80-Y188 HydrophobicContact CE1-CG 4.47Å; F80-Y188 AromaticContact CE1-CZ 3.7Å; F80-Y188 HydrophobicContact CZ-CD1 4.42Å; F80-Y188 AromaticContact CZ-CE1 3.55Å; F80-Y188 HydrophobicContact CZ-CE1 3.55Å; F80-Y188 HydrophobicContact CZ-CE2 4.26Å; F80-Y188 AromaticContact CZ-CZ 3.46Å; F80-Y188 VanDerWaalsContact CZ-CZ 3.46Å; F80-Y188 WeakPolarHBondContact CZ-OH 3.34Å; F80-L249 HydrophobicContact CE2-CD1 3.79Å; F80-L249 HydrophobicContact CZ-CD1 4.38Å
81	L	98.9	Very high	94.8	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.8	156.9	169.3	53.3	87.7	0	0	0	111.4	D69 L70 T79 L83 A175 A176 A232 I236	D69-L81 WeakPolarHBondContact CA-O 3.32Å; L70-L81 HydrophobicContact CB-CD1 3.79Å; L70-L81 HydrophobicContact CB-CG 4.23Å; L70-L81 HydrophobicContact CD2-CD1 4.3Å; L70-L81 PolarHBondContact N-O 3.29Å; L70-L81 PolarHBondContact O-N 2.87Å; T79-L81 HydrophobicContact CG2-CD2 3.58Å; T79-L81 HydrophobicContact CG2-CG 4.2Å; L81-L83 HydrophobicContact CD1-CD1 4.13Å; L81-L83 HydrophobicContact CD1-CD2 3.74Å; L81-L83 HydrophobicContact CD1-CG 3.45Å; L81-L83 VanDerWaalsContact CD1-CG 3.45Å; L81-A175 HydrophobicContact CD1-CB 4.47Å; L81-A175 HydrophobicContact CD2-CB 4.23Å; L81-A176 CarbonylContact C-O 3.57Å; L81-A176 WeakPolarHBondContact CA-O 3.49Å; L81-A176 WeakPolarHBondContact CB-O 3.46Å; L81-A232 HydrophobicContact CD2-CB 3.96Å; L81-I236 HydrophobicContact CD2-CD1 4.22Å
82	R	98.9	Very high	93.9	Very high	2 Å²	2	53.5 Å²	53.5	1%	0.008	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	129	162.3	175	158.4	-76.1	-161.4	-5.7	107.6	C67 T68 D69 Y84 L96 R157 A176	C67-R82 VanDerWaalsContact SG-CD 3.52Å; T68-R82 WeakPolarHBondContact O-CA 3.44Å; D69-R82 WeakPolarHBondContact OD1-CA 3.37Å; D69-R82 VanDerWaalsContact OD1-CB 3.3Å; D69-R82 WeakPolarHBondContact OD1-CB 3.45Å; D69-R82 IonicContact OD1-CZ 3.91Å; D69-R82 IonicContact OD1-NE 3.56Å; D69-R82 PolarHBondContact OD1-NE 2.71Å; D69-R82 IonicContact OD1-NH2 3.65Å; D69-R82 IonicContact OD2-NE 3.55Å; D69-R82 IonicContact OD2-NH2 3.83Å; D69-R82 PolarHBondContact OD2-NH2 2.8Å; R82-Y84 VanDerWaalsContact CD-CZ 3.5Å; R82-Y84 WeakPolarHBondContact CD-OH 3.25Å; R82-Y84 HydrophobicContact CG-CD2 4.49Å; R82-Y84 HydrophobicContact CG-CE1 4.19Å; R82-Y84 HydrophobicContact CG-CE2 3.9Å; R82-L96 PolarHBondContact NH1-O 3.47Å; R82-L96 VanDerWaalsContact NH1-O 3.15Å; R82-R157 HydrophobicContact CB-CB 4.25Å; R82-R157 HydrophobicContact CB-CG 3.92Å; R82-A176 HydrophobicContact CB-CB 4.45Å; R82-A176 PolarHBondContact N-O 3.43Å; R82-A176 PolarHBondContact O-N 3.29Å
83	L	98.9	Very high	93.5	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	133.1	173	-73	168.4	0	0	0	109.5	C67 T68 L81 Y85 I173 V174 A175 I236 M255 L258	C67-L83 VanDerWaalsContact CA-O 3.23Å; C67-L83 WeakPolarHBondContact CA-O 3.32Å; T68-L83 HydrophobicContact CG2-CB 4.13Å; T68-L83 HydrophobicContact CG2-CD1 4.12Å; T68-L83 PolarHBondContact N-O 2.95Å; T68-L83 VanDerWaalsContact N-O 3.1Å; T68-L83 PolarHBondContact O-N 2.93Å; L81-L83 HydrophobicContact CD1-CD1 4.13Å; L81-L83 HydrophobicContact CD1-CD2 3.74Å; L81-L83 HydrophobicContact CD1-CG 3.45Å; L81-L83 VanDerWaalsContact CD1-CG 3.45Å; L83-Y85 HydrophobicContact CB-CD1 3.89Å; L83-Y85 HydrophobicContact CB-CE1 4.17Å; L83-I173 HydrophobicContact CD2-CG2 3.97Å; L83-V174 CarbonylContact C-O 3.59Å; L83-V174 VanDerWaalsContact CA-O 3.29Å; L83-V174 WeakPolarHBondContact CA-O 3.41Å; L83-A175 HydrophobicContact CD2-CB 4Å; L83-I236 HydrophobicContact CD2-CD1 4.46Å; L83-M255 HydrophobicContact CD1-SD 4.44Å; L83-L258 HydrophobicContact CD1-CD1 3.93Å
84	Y	98.9	Very high	93.5	Very high	1 Å²	1	53 Å²	53	0%	0.004	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	135.7	159	-51.9	-84.1	0	0	0	107.6	G66 C67 R82 S161 G164 I165 V174 A176	G66-Y84 WeakPolarHBondContact O-CA 3.14Å; C67-Y84 HydrophobicContact CB-CD1 4.12Å; C67-Y84 HydrophobicContact CB-CE1 4.37Å; R82-Y84 VanDerWaalsContact CD-CZ 3.5Å; R82-Y84 WeakPolarHBondContact CD-OH 3.25Å; R82-Y84 HydrophobicContact CG-CD2 4.49Å; R82-Y84 HydrophobicContact CG-CE1 4.19Å; R82-Y84 HydrophobicContact CG-CE2 3.9Å; Y84-S161 VanDerWaalsContact OH-CB 3.3Å; Y84-S161 WeakPolarHBondContact OH-CB 3.37Å; Y84-G164 WeakPolarHBondContact CB-O 3.48Å; Y84-I165 HydrophobicContact CD1-CG1 3.79Å; Y84-I165 HydrophobicContact CE1-CD1 4.48Å; Y84-I165 HydrophobicContact CE1-CG1 4.02Å; Y84-V174 HydrophobicContact CD2-CB 4.28Å; Y84-V174 HydrophobicContact CD2-CG1 4.38Å; Y84-V174 PolarHBondContact N-O 3.27Å; Y84-V174 PolarHBondContact O-N 3.49Å; Y84-A176 HydrophobicContact CE2-CB 4.31Å
85	Y	98.9	Very high	93.5	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.3	156.8	-173	50	-90.8	0	0	0	111.4	V65 G66 T68 L83 S87 S136 L138 F253	V65-Y85 CarbonylContact C-O 3.58Å; V65-Y85 WeakPolarHBondContact CA-O 3.3Å; G66-Y85 PolarHBondContact N-O 2.81Å; G66-Y85 PolarHBondContact O-N 3.4Å; G66-Y85 VanDerWaalsContact O-N 3.11Å; T68-Y85 HydrophobicContact CG2-CE1 4Å; L83-Y85 HydrophobicContact CB-CD1 3.89Å; L83-Y85 HydrophobicContact CB-CE1 4.17Å; Y85-S87 PolarHBondContact O-N 3.42Å; Y85-S136 VanDerWaalsContact CE2-O 3.27Å; Y85-S136 WeakPolarHBondContact CE2-O 3.45Å; Y85-S136 PolarHBondContact OH-O 3.15Å; Y85-L138 HydrophobicContact CD2-CB 4.38Å; Y85-L138 HydrophobicContact CD2-CD1 3.69Å; Y85-L138 HydrophobicContact CG-CD1 3.94Å; Y85-F253 HydrophobicContact CE1-CE2 4.12Å; Y85-F253 HydrophobicContact CE1-CZ 4.39Å; Y85-F253 HydrophobicContact CE2-CD2 4.44Å; Y85-F253 AromaticContact CE2-CE2 3.7Å; Y85-F253 HydrophobicContact CE2-CE2 3.7Å; Y85-F253 HydrophobicContact CE2-CZ 4.39Å; Y85-F253 AromaticContact CZ-CD2 3.84Å; Y85-F253 AromaticContact CZ-CE2 3.41Å; Y85-F253 VanDerWaalsContact CZ-CE2 3.41Å; Y85-F253 WeakPolarHBondContact OH-CD2 3.42Å; Y85-F253 VanDerWaalsContact OH-CE2 3.25Å; Y85-F253 WeakPolarHBondContact OH-CE2 3.24Å
86	P	98.6	Very high	93.5	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.5	120.4	170.7	-23.9	36.3	0	0	0	110.5	Y63 S64 R139 Y144 F172	Y63-P86 HydrophobicContact CD1-CB 3.73Å; Y63-P86 HydrophobicContact CD1-CG 4.37Å; Y63-P86 HydrophobicContact CE1-CB 4.44Å; Y63-P86 HydrophobicContact CG-CB 4.09Å; Y63-P86 HydrophobicContact CG-CG 4.49Å; S64-P86 CarbonylContact O-C 3.56Å; S64-P86 WeakPolarHBondContact O-CA 3.17Å; P86-R139 HydrophobicContact CB-CB 4.19Å; P86-R139 WeakPolarHBondContact O-CB 3.36Å; P86-R139 PolarHBondContact O-N 2.75Å; P86-Y144 HydrophobicContact CB-CE1 4.06Å; P86-Y144 HydrophobicContact CG-CD1 3.88Å; P86-Y144 HydrophobicContact CG-CE1 3.67Å; P86-Y144 HydrophobicContact CG-CE2 4.5Å; P86-Y144 HydrophobicContact CG-CG 4.37Å; P86-F172 WeakPolarHBondContact CD-O 3.18Å
87	S	97.3	Very high	93.6	Very high	1 Å²	1	46.8 Å²	46.8	1%	0.007	22%	0.224	C	C	.	.	B	Isolated β-bridge	trans	-98	161.1	179.4	52.7	0	0	0	0	112.8	S64 V65 G66 Y85 D89 P137	S64-S87 VanDerWaalsContact C-OG 3.25Å; S64-S87 PolarHBondContact O-N 2.67Å; S64-S87 PolarHBondContact O-OG 2.81Å; S64-S87 PolarHBondContact OG-O 2.87Å; S64-S87 VanDerWaalsContact OG-O 3.11Å; S64-S87 PolarHBondContact OG-OG 3.07Å; V65-S87 PolarHBondContact N-OG 3.4Å; G66-S87 PolarHBondContact N-OG 3.23Å; Y85-S87 PolarHBondContact O-N 3.42Å; S87-D89 PolarHBondContact OG-O 3.39Å; S87-P137 WeakPolarHBondContact CA-O 3.23Å
88	Q	91.8	Very high	93.6	Very high	99 Å²	99	39 Å²	39	46%	0.463	19%	0.191	S	C	.	.	S	Bend	trans	-75	-41.6	171.2	-64.2	179.1	21.3	0	0	111.7	P137 L138 R139	Q88-P137 HydrophobicContact CG-CB 4.29Å; Q88-P137 PolarHBondContact N-O 2.97Å; Q88-L138 WeakPolarHBondContact CG-O 3.49Å; Q88-L138 PolarHBondContact NE2-O 3.18Å; Q88-R139 HydrophobicContact CG-CB 4.45Å
89	D	86.9	Confident	93.6	Very high	76 Å²	76	40.7 Å²	40.7	41%	0.406	20%	0.201	S	C	.	.			trans	-94.3	153.7	-173.7	-48.1	-44.6	0	0	0	110.9	S64 S87 N133 S136 P137	S64-D89 WeakPolarHBondContact CB-O 3.42Å; S64-D89 PolarHBondContact OG-O 3.09Å; S87-D89 PolarHBondContact OG-O 3.39Å; D89-N133 PolarHBondContact O-ND2 3.23Å; D89-N133 VanDerWaalsContact O-ND2 3.09Å; D89-S136 WeakPolarHBondContact CB-OG 3.29Å; D89-S136 PolarHBondContact OD2-OG 3.48Å; D89-S136 VanDerWaalsContact OD2-OG 3.06Å; D89-P137 VanDerWaalsContact OD2-CD 3.29Å; D89-P137 WeakPolarHBondContact OD2-CD 3.39Å
90	D	75	Confident	93.5	Very high	118 Å²	118	41.9 Å²	41.9	63%	0.631	21%	0.207	S	C	*	.			trans	-106.9	5.9	173	-159.5	21.7	0	0	0	112.4
91	D	71.6	Confident	93.4	Very high	129 Å²	129	47 Å²	47	69%	0.69	23%	0.229	S	C	*	.			trans	-95.6	116.3	-169.8	-83	-19.4	0	0	0	112.2	N133	D91-N133 VanDerWaalsContact C-OD1 3.27Å; D91-N133 PolarHBondContact O-OD1 2.88Å
92	R	79.5	Confident	93.4	Very high	203 Å²	203	48.5 Å²	48.5	77%	0.766	24%	0.236	S	C	*	.			trans	131.9	-30.4	141.7	-71.9	168.4	170.6	-177.1	-1	115.9	D94 N133	R92-D94 HydrophobicContact CB-CB 3.94Å; R92-D94 PolarHBondContact O-N 2.97Å; R92-D94 VanDerWaalsContact O-N 3.09Å; R92-N133 PolarHBondContact N-OD1 2.74Å
93	L	89.8	Confident	93.4	Very high	51 Å²	51	48.4 Å²	48.4	27%	0.267	24%	0.236	S	C	.	.			trans	44.7	43.6	-179.1	-54.7	-178.3	0	0	0	112.8	K58 P131 A132 N133	K58-L93 HydrophobicContact CD-CD1 4.33Å; L93-P131 HydrophobicContact CB-CB 4.45Å; L93-P131 HydrophobicContact CD1-CB 4.24Å; L93-P131 HydrophobicContact CD2-CB 4.06Å; L93-P131 HydrophobicContact CG-CB 4.49Å; L93-A132 CarbonylContact C-O 3.59Å; L93-N133 PolarHBondContact N-OD1 2.61Å; L93-N133 VanDerWaalsContact N-OD1 3.08Å
94	D	94.1	Very high	93.4	Very high	66 Å²	66	48.5 Å²	48.5	35%	0.353	24%	0.236	S	C	.	.			trans	-106.2	7.9	-163.7	60.8	-10.9	0	0	0	113.7	R92 L96 A132 W134	R92-D94 HydrophobicContact CB-CB 3.94Å; R92-D94 PolarHBondContact O-N 2.97Å; R92-D94 VanDerWaalsContact O-N 3.09Å; D94-L96 PolarHBondContact O-N 2.89Å; D94-A132 PolarHBondContact N-O 3.35Å; D94-W134 WeakPolarHBondContact OD1-CB 3.33Å; D94-W134 PolarHBondContact OD1-N 2.98Å
95	T	97.2	Very high	93.3	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.4	120	178.3	-67.2	0	0	0	0	111.2	C67 W97 T129 T130 A132 W134	C67-T95 HydrophobicContact CB-CG2 4.06Å; T95-W97 PolarHBondContact O-N 3.36Å; T95-T129 CarbonylContact O-C 3.54Å; T95-T129 WeakPolarHBondContact O-CA 3.17Å; T95-T129 WeakPolarHBondContact O-CB 3.38Å; T95-T130 HydrophobicContact CG2-CG2 3.59Å; T95-T130 PolarHBondContact O-N 3.41Å; T95-A132 VanDerWaalsContact CB-O 3.29Å; T95-A132 WeakPolarHBondContact CB-O 3.17Å; T95-A132 PolarHBondContact N-O 3.43Å; T95-A132 VanDerWaalsContact N-O 3.16Å; T95-A132 PolarHBondContact OG1-O 2.8Å; T95-W134 HydrophobicContact CG2-CE3 3.85Å; T95-W134 HydrophobicContact CG2-CZ3 4.27Å
96	L	97.5	Very high	93.3	Very high	63 Å²	63	52.2 Å²	52.2	33%	0.33	25%	0.25	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	128.1	175.2	-167	61.8	0	0	0	110.9	R82 D94 P99	R82-L96 PolarHBondContact NH1-O 3.47Å; R82-L96 VanDerWaalsContact NH1-O 3.15Å; D94-L96 PolarHBondContact O-N 2.89Å; L96-P99 HydrophobicContact CD2-CB 4.11Å; L96-P99 HydrophobicContact CG-CB 4.47Å
97	W	97.8	Very high	93.2	Very high	1 Å²	1	52.8 Å²	52.8	0%	0.004	25%	0.253	C	S	.	.	S	Bend	trans	-70.5	-53.6	-175.2	177.6	45.8	0	0	0	112.2	I56 T95 F125 V128 T158 I159 D356 F357 A360	I56-W97 HydrophobicContact CD1-CD2 4.03Å; I56-W97 HydrophobicContact CD1-CG 3.87Å; T95-W97 PolarHBondContact O-N 3.36Å; W97-F125 HydrophobicContact CZ3-CB 4.16Å; W97-F125 HydrophobicContact CZ3-CD1 4.31Å; W97-F125 HydrophobicContact CZ3-CG 4.3Å; W97-V128 HydrophobicContact CB-CG1 4.37Å; W97-V128 VanDerWaalsContact CB-O 3.23Å; W97-V128 WeakPolarHBondContact CB-O 3.23Å; W97-V128 HydrophobicContact CE3-CB 4.16Å; W97-V128 HydrophobicContact CE3-CG1 3.95Å; W97-V128 PolarHBondContact N-O 2.95Å; W97-T158 PolarHBondContact NE1-O 2.86Å; W97-T158 VanDerWaalsContact NE1-O 3.13Å; W97-T158 WeakPolarHBondContact O-CB 3.26Å; W97-T158 PolarHBondContact O-OG1 2.99Å; W97-I159 HydrophobicContact CZ2-CD1 3.99Å; W97-D356 HydrophobicContact CZ2-CB 3.59Å; W97-D356 PolarHBondContact NE1-OD2 2.73Å; W97-F357 AromaticContact CH2-CD1 3.68Å; W97-F357 HydrophobicContact CH2-CD1 3.68Å; W97-F357 HydrophobicContact CH2-CD2 4.26Å; W97-F357 AromaticContact CH2-CE1 3.55Å; W97-F357 HydrophobicContact CH2-CE1 3.55Å; W97-F357 HydrophobicContact CH2-CE2 4.15Å; W97-F357 HydrophobicContact CH2-CG 4.02Å; W97-F357 AromaticContact CH2-CZ 3.78Å; W97-F357 HydrophobicContact CH2-CZ 3.78Å; W97-F357 HydrophobicContact CZ2-CD1 4.41Å; W97-F357 HydrophobicContact CZ2-CD2 4.22Å; W97-F357 HydrophobicContact CZ2-CE1 4.38Å; W97-F357 HydrophobicContact CZ2-CE2 4.2Å; W97-F357 HydrophobicContact CZ2-CG 4.31Å; W97-F357 HydrophobicContact CZ2-CZ 4.26Å; W97-F357 HydrophobicContact CZ3-CE1 4.28Å; W97-A360 HydrophobicContact CH2-CB 3.84Å; W97-A360 HydrophobicContact CZ3-CB 4.05Å
98	I	98.4	Very high	93.2	Very high	1 Å²	1	52.8 Å²	52.8	1%	0.005	25%	0.253	C	S	.	.	S	Bend	trans	-120.9	98.7	177.3	-60.3	175.1	0	0	0	109	N100 Y103 F104 L107 F156 I159 F357	I98-N100 PolarHBondContact O-N 3.45Å; I98-Y103 HydrophobicContact CG2-CD2 4.39Å; I98-Y103 HydrophobicContact CG2-CG 4.32Å; I98-F104 HydrophobicContact CB-CE1 4.02Å; I98-F104 HydrophobicContact CB-CE2 4.12Å; I98-F104 HydrophobicContact CB-CZ 3.54Å; I98-F104 HydrophobicContact CD1-CD1 4.39Å; I98-F104 HydrophobicContact CD1-CE1 3.57Å; I98-F104 HydrophobicContact CD1-CZ 4Å; I98-F104 HydrophobicContact CG1-CE1 4.38Å; I98-F104 HydrophobicContact CG1-CZ 4.34Å; I98-F104 HydrophobicContact CG2-CD1 4.33Å; I98-F104 HydrophobicContact CG2-CD2 4.19Å; I98-F104 HydrophobicContact CG2-CE1 3.82Å; I98-F104 HydrophobicContact CG2-CE2 3.65Å; I98-F104 HydrophobicContact CG2-CZ 3.46Å; I98-F104 VanDerWaalsContact CG2-CZ 3.46Å; I98-L107 HydrophobicContact CD1-CD1 4.38Å; I98-F156 HydrophobicContact CD1-CZ 4.2Å; I98-F156 HydrophobicContact CG1-CE2 4.12Å; I98-F156 HydrophobicContact CG1-CZ 4.25Å; I98-F156 HydrophobicContact CG2-CE2 4.12Å; I98-F156 HydrophobicContact CG2-CZ 4.08Å; I98-I159 HydrophobicContact CD1-CD1 3.91Å; I98-I159 HydrophobicContact CG1-CD1 4.08Å; I98-F357 HydrophobicContact CD1-CZ 4.03Å
99	P	97.3	Very high	93.4	Very high	38 Å²	38	52.5 Å²	52.5	25%	0.247	25%	0.25	C	S	.	.			trans	-84.4	-6.7	-159.7	29.1	-35.3	0	0	0	116.4	L96 Y103	L96-P99 HydrophobicContact CD2-CB 4.11Å; L96-P99 HydrophobicContact CG-CB 4.47Å; P99-Y103 HydrophobicContact CG-CE2 4.42Å
100	N	98.1	Very high	93.7	Very high	30 Å²	30	53.5 Å²	53.5	16%	0.16	25%	0.249	C	C	.	.			trans	-142	143.1	-177.6	-60.7	-104.9	0	0	0	110.8	I98 E102 Y103 K201 W203	I98-N100 PolarHBondContact O-N 3.45Å; N100-E102 PolarHBondContact O-N 2.87Å; N100-Y103 HydrophobicContact CB-CD2 3.81Å; N100-Y103 HydrophobicContact CB-CE2 3.99Å; N100-Y103 WeakPolarHBondContact O-CB 3.41Å; N100-Y103 PolarHBondContact O-N 3.34Å; N100-K201 WeakPolarHBondContact OD1-CE 3.3Å; N100-K201 PolarHBondContact OD1-NZ 2.92Å; N100-W203 HydrophobicContact CB-CH2 3.62Å; N100-W203 HydrophobicContact CB-CZ2 3.78Å
101	K	97.2	Very high	94.6	Very high	109 Å²	109	52.4 Å²	52.4	47%	0.474	24%	0.243	S	C	.	.	H	α-helix	trans	-60	-32	-177.1	64.6	-176.3	179.2	-176.2	0	113.8	Y103 F104 W105	K101-Y103 PolarHBondContact O-N 3.5Å; K101-F104 WeakPolarHBondContact O-CB 3.15Å; K101-F104 PolarHBondContact O-N 2.88Å; K101-W105 HydrophobicContact CD-CH2 3.81Å; K101-W105 HydrophobicContact CD-CZ2 3.77Å; K101-W105 HydrophobicContact CG-CH2 4.19Å; K101-W105 HydrophobicContact CG-CZ2 4.13Å; K101-W105 PolarHBondContact O-N 2.97Å; K101-W105 VanDerWaalsContact O-N 3.16Å
102	E	98.4	Very high	95.5	Very high	30 Å²	30	49.5 Å²	49.5	14%	0.14	24%	0.243	C	C	.	.	H	α-helix	trans	-65.8	-25.5	-177.9	-66.3	82.7	177.3	0	0	112.4	N100 F104 W105 G106 A186 W203 Y205	N100-E102 PolarHBondContact O-N 2.87Å; E102-F104 VanDerWaalsContact C-N 3.34Å; E102-W105 HydrophobicContact CB-CE3 4.27Å; E102-W105 HydrophobicContact CG-CE3 3.74Å; E102-W105 HydrophobicContact CG-CZ3 3.8Å; E102-W105 PolarHBondContact O-N 3.47Å; E102-G106 PolarHBondContact O-N 2.89Å; E102-A186 WeakPolarHBondContact O-CB 3.32Å; E102-W203 HydrophobicContact CB-CD2 3.46Å; E102-W203 VanDerWaalsContact CB-CD2 3.46Å; E102-W203 VanDerWaalsContact CB-CE2 3.47Å; E102-W203 HydrophobicContact CB-CE3 3.54Å; E102-W203 HydrophobicContact CB-CG 4.16Å; E102-W203 HydrophobicContact CB-CH2 3.7Å; E102-W203 HydrophobicContact CB-CZ2 3.6Å; E102-W203 HydrophobicContact CB-CZ3 3.66Å; E102-W203 VanDerWaalsContact CD-CE2 3.45Å; E102-W203 VanDerWaalsContact CD-NE1 3.34Å; E102-W203 HydrophobicContact CG-CD2 3.67Å; E102-W203 HydrophobicContact CG-CE3 4.28Å; E102-W203 HydrophobicContact CG-CG 3.96Å; E102-W203 HydrophobicContact CG-CH2 4.43Å; E102-W203 HydrophobicContact CG-CZ2 3.82Å; E102-W203 PolarHBondContact OE1-NE1 3.13Å; E102-W203 VanDerWaalsContact OE2-CZ2 3.24Å; E102-W203 WeakPolarHBondContact OE2-CZ2 3.48Å; E102-Y205 HydrophobicContact CB-CE1 4.47Å
103	Y	98.6	Very high	96.1	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-62.8	-41.5	170.2	-71.4	-67	0	0	0	111.4	I98 P99 N100 K101 G106 L107 F156 R157 E178 A186 Y188 W203	I98-Y103 HydrophobicContact CG2-CD2 4.39Å; I98-Y103 HydrophobicContact CG2-CG 4.32Å; P99-Y103 HydrophobicContact CG-CE2 4.42Å; N100-Y103 HydrophobicContact CB-CD2 3.81Å; N100-Y103 HydrophobicContact CB-CE2 3.99Å; N100-Y103 WeakPolarHBondContact O-CB 3.41Å; N100-Y103 PolarHBondContact O-N 3.34Å; K101-Y103 PolarHBondContact O-N 3.5Å; Y103-G106 PolarHBondContact O-N 3.45Å; Y103-L107 WeakPolarHBondContact O-CG 3.38Å; Y103-L107 PolarHBondContact O-N 3.36Å; Y103-F156 HydrophobicContact CD1-CB 4.16Å; Y103-F156 AromaticContact CD1-CD1 3.61Å; Y103-F156 HydrophobicContact CD1-CD1 3.61Å; Y103-F156 AromaticContact CD1-CD2 3.57Å; Y103-F156 HydrophobicContact CD1-CD2 3.57Å; Y103-F156 AromaticContact CD1-CE1 3.82Å; Y103-F156 HydrophobicContact CD1-CE1 3.82Å; Y103-F156 AromaticContact CD1-CE2 3.77Å; Y103-F156 HydrophobicContact CD1-CE2 3.77Å; Y103-F156 AromaticContact CD1-CG 3.49Å; Y103-F156 HydrophobicContact CD1-CG 3.49Å; Y103-F156 VanDerWaalsContact CD1-CG 3.49Å; Y103-F156 AromaticContact CD1-CZ 3.9Å; Y103-F156 HydrophobicContact CD1-CZ 3.9Å; Y103-F156 HydrophobicContact CE1-CB 3.92Å; Y103-F156 HydrophobicContact CE1-CD1 4.24Å; Y103-F156 AromaticContact CE1-CD2 3.82Å; Y103-F156 HydrophobicContact CE1-CD2 3.82Å; Y103-F156 HydrophobicContact CE1-CE2 4.41Å; Y103-F156 AromaticContact CE1-CG 3.73Å; Y103-F156 HydrophobicContact CE1-CG 3.73Å; Y103-F156 HydrophobicContact CG-CD1 4.46Å; Y103-F156 HydrophobicContact CG-CD2 4.12Å; Y103-F156 HydrophobicContact CG-CE1 4.25Å; Y103-F156 AromaticContact CG-CE2 3.87Å; Y103-F156 HydrophobicContact CG-CE2 3.87Å; Y103-F156 HydrophobicContact CG-CG 4.41Å; Y103-F156 AromaticContact CG-CZ 3.96Å; Y103-F156 HydrophobicContact CG-CZ 3.96Å; Y103-R157 PolarHBondContact OH-NH1 3.18Å; Y103-E178 PolarHBondContact OH-OE1 2.79Å; Y103-E178 PolarHBondContact OH-OE2 3Å; Y103-A186 HydrophobicContact CD1-CB 4.07Å; Y103-A186 WeakPolarHBondContact CE1-O 3.45Å; Y103-Y188 WeakPolarHBondContact OH-CE1 3.35Å; Y103-W203 HydrophobicContact CD1-CZ3 4.35Å; Y103-W203 HydrophobicContact CD2-CH2 4.01Å; Y103-W203 HydrophobicContact CD2-CZ3 4.25Å; Y103-W203 HydrophobicContact CE1-CZ3 4.09Å; Y103-W203 AromaticContact CE2-CH2 3.67Å; Y103-W203 HydrophobicContact CE2-CH2 3.67Å; Y103-W203 AromaticContact CE2-CZ3 3.95Å; Y103-W203 HydrophobicContact CE2-CZ3 3.95Å; Y103-W203 HydrophobicContact CG-CZ3 4.41Å; Y103-W203 AromaticContact CZ-CH2 3.99Å; Y103-W203 AromaticContact CZ-CZ3 3.84Å
104	F	98.1	Very high	96.1	Very high	2 Å²	2	49 Å²	49	1%	0.009	25%	0.246	C	C	.	.	H	α-helix	trans	-68	-36.5	175.5	-60.9	-67.4	0	0	0	112.7	I98 K101 E102 G106 L107 S108 G118 L121 S122 F125	I98-F104 HydrophobicContact CB-CE1 4.02Å; I98-F104 HydrophobicContact CB-CE2 4.12Å; I98-F104 HydrophobicContact CB-CZ 3.54Å; I98-F104 HydrophobicContact CD1-CD1 4.39Å; I98-F104 HydrophobicContact CD1-CE1 3.57Å; I98-F104 HydrophobicContact CD1-CZ 4Å; I98-F104 HydrophobicContact CG1-CE1 4.38Å; I98-F104 HydrophobicContact CG1-CZ 4.34Å; I98-F104 HydrophobicContact CG2-CD1 4.33Å; I98-F104 HydrophobicContact CG2-CD2 4.19Å; I98-F104 HydrophobicContact CG2-CE1 3.82Å; I98-F104 HydrophobicContact CG2-CE2 3.65Å; I98-F104 HydrophobicContact CG2-CZ 3.46Å; I98-F104 VanDerWaalsContact CG2-CZ 3.46Å; K101-F104 WeakPolarHBondContact O-CB 3.15Å; K101-F104 PolarHBondContact O-N 2.88Å; E102-F104 VanDerWaalsContact C-N 3.34Å; F104-G106 VanDerWaalsContact C-N 3.33Å; F104-L107 HydrophobicContact CD1-CD1 4.2Å; F104-L107 PolarHBondContact O-N 3.46Å; F104-S108 WeakPolarHBondContact O-CB 3.41Å; F104-S108 PolarHBondContact O-N 3.28Å; F104-G118 VanDerWaalsContact CB-O 3.26Å; F104-G118 WeakPolarHBondContact CB-O 3.35Å; F104-G118 WeakPolarHBondContact O-CA 3.19Å; F104-L121 HydrophobicContact CB-CB 4.14Å; F104-L121 HydrophobicContact CD1-CB 3.73Å; F104-L121 HydrophobicContact CG-CB 4.24Å; F104-S122 VanDerWaalsContact CD2-CA 3.46Å; F104-S122 VanDerWaalsContact CD2-CB 3.48Å; F104-F125 HydrophobicContact CE1-CB 3.71Å; F104-F125 HydrophobicContact CZ-CB 3.93Å
105	W	97.9	Very high	95.7	Very high	79 Å²	79	53.1 Å²	53.1	30%	0.299	26%	0.257	S	S	.	.	H	α-helix	trans	-63.8	-40	171.3	-60.8	-17.4	0	0	0	111.7	K101 E102 S108 K109 N119 Y205	K101-W105 HydrophobicContact CD-CH2 3.81Å; K101-W105 HydrophobicContact CD-CZ2 3.77Å; K101-W105 HydrophobicContact CG-CH2 4.19Å; K101-W105 HydrophobicContact CG-CZ2 4.13Å; K101-W105 PolarHBondContact O-N 2.97Å; K101-W105 VanDerWaalsContact O-N 3.16Å; E102-W105 HydrophobicContact CB-CE3 4.27Å; E102-W105 HydrophobicContact CG-CE3 3.74Å; E102-W105 HydrophobicContact CG-CZ3 3.8Å; E102-W105 PolarHBondContact O-N 3.47Å; W105-S108 PolarHBondContact O-N 3.48Å; W105-K109 PolarHBondContact O-N 2.88Å; W105-N119 PolarHBondContact NE1-OD1 3.3Å; W105-Y205 HydrophobicContact CB-CE1 4.43Å
106	G	98.1	Very high	95.4	Very high	0 Å²	0	57.4 Å²	57.4	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-60.7	-47	172.4	0	0	0	0	0	112.7	E102 Y103 F104 S108 K109 Y110 S185	E102-G106 PolarHBondContact O-N 2.89Å; Y103-G106 PolarHBondContact O-N 3.45Å; F104-G106 VanDerWaalsContact C-N 3.33Å; G106-S108 PolarHBondContact O-N 2.67Å; G106-K109 WeakPolarHBondContact O-CB 3.46Å; G106-K109 PolarHBondContact O-N 3.18Å; G106-K109 VanDerWaalsContact O-N 3.17Å; G106-Y110 PolarHBondContact O-N 3.08Å; G106-S185 WeakPolarHBondContact CA-O 3.04Å; G106-S185 PolarHBondContact O-OG 2.92Å
107	L	97.3	Very high	95.1	Very high	13 Å²	13	57.8 Å²	57.8	7%	0.068	28%	0.28	C	S	.	.	H	α-helix	trans	-60.5	-45.3	176	-73	168.1	0	0	0	111.5	I98 Y103 F104 K109 Y110 L111 L121 F156 F357	I98-L107 HydrophobicContact CD1-CD1 4.38Å; Y103-L107 WeakPolarHBondContact O-CG 3.38Å; Y103-L107 PolarHBondContact O-N 3.36Å; F104-L107 HydrophobicContact CD1-CD1 4.2Å; F104-L107 PolarHBondContact O-N 3.46Å; L107-K109 VanDerWaalsContact C-N 3.28Å; L107-K109 PolarHBondContact O-N 3.38Å; L107-Y110 WeakPolarHBondContact O-CB 3.32Å; L107-Y110 PolarHBondContact O-N 2.91Å; L107-L111 VanDerWaalsContact O-CG 3.29Å; L107-L111 WeakPolarHBondContact O-CG 3.38Å; L107-L111 PolarHBondContact O-N 2.96Å; L107-L121 HydrophobicContact CB-CD1 4.26Å; L107-F156 HydrophobicContact CD1-CE1 4.05Å; L107-F156 HydrophobicContact CD1-CZ 4.05Å; L107-F156 HydrophobicContact CD2-CE1 4Å; L107-F156 HydrophobicContact CG-CE1 3.9Å; L107-F156 HydrophobicContact CG-CZ 4.4Å; L107-F357 HydrophobicContact CD1-CE2 4.16Å; L107-F357 HydrophobicContact CD1-CZ 3.68Å; L107-F357 HydrophobicContact CD2-CE2 4.29Å
108	S	96.2	Very high	94.9	Very high	0 Å²	0	57.7 Å²	57.7	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-56.7	-44.1	174.5	-179.9	0	0	0	0	111.7	F104 W105 G106 L111 G112 K113 H114 G118	F104-S108 WeakPolarHBondContact O-CB 3.41Å; F104-S108 PolarHBondContact O-N 3.28Å; W105-S108 PolarHBondContact O-N 3.48Å; G106-S108 PolarHBondContact O-N 2.67Å; S108-L111 PolarHBondContact O-N 3.21Å; S108-G112 PolarHBondContact O-N 3.36Å; S108-K113 PolarHBondContact O-N 3.41Å; S108-K113 PolarHBondContact OG-O 2.88Å; S108-H114 PolarHBondContact OG-O 2.82Å; S108-G118 PolarHBondContact OG-N 3.21Å
109	K	95.8	Very high	94.6	Very high	93 Å²	93	60.7 Å²	60.7	40%	0.404	30%	0.296	S	S	.	.	H	α-helix	trans	-63.3	-44.5	176.8	-174.7	-173.7	-179	-168.9	0	111.5	W105 G106 L107 L111 G112 L206	W105-K109 PolarHBondContact O-N 2.88Å; G106-K109 WeakPolarHBondContact O-CB 3.46Å; G106-K109 PolarHBondContact O-N 3.18Å; G106-K109 VanDerWaalsContact O-N 3.17Å; L107-K109 VanDerWaalsContact C-N 3.28Å; L107-K109 PolarHBondContact O-N 3.38Å; K109-L111 VanDerWaalsContact C-N 3.32Å; K109-L111 PolarHBondContact O-N 2.67Å; K109-G112 PolarHBondContact O-N 3.19Å; K109-G112 VanDerWaalsContact O-N 3.11Å; K109-L206 PolarHBondContact NZ-O 2.69Å
110	Y	94.9	Very high	94.5	Very high	97 Å²	97	62.9 Å²	62.9	38%	0.38	31%	0.305	S	S	.	.	H	α-helix	trans	-59.8	-42.2	177	169.5	-113.8	0	0	0	112.1	G106 L107 G112 L153 S185 L206	G106-Y110 PolarHBondContact O-N 3.08Å; L107-Y110 WeakPolarHBondContact O-CB 3.32Å; L107-Y110 PolarHBondContact O-N 2.91Å; Y110-G112 PolarHBondContact O-N 2.95Å; Y110-G112 VanDerWaalsContact O-N 3.11Å; Y110-L153 HydrophobicContact CE2-CG 4.34Å; Y110-S185 WeakPolarHBondContact CB-OG 3.31Å; Y110-L206 HydrophobicContact CD2-CD2 3.57Å; Y110-L206 HydrophobicContact CG-CD2 4.21Å
111	L	92.4	Very high	94.2	Very high	96 Å²	96	62.6 Å²	62.6	50%	0.503	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.2	2.5	177.1	-65.2	172.6	0	0	0	113.9	L107 S108 K109 K113	L107-L111 VanDerWaalsContact O-CG 3.29Å; L107-L111 WeakPolarHBondContact O-CG 3.38Å; L107-L111 PolarHBondContact O-N 2.96Å; S108-L111 PolarHBondContact O-N 3.21Å; K109-L111 VanDerWaalsContact C-N 3.32Å; K109-L111 PolarHBondContact O-N 2.67Å; L111-K113 HydrophobicContact CB-CG 3.9Å; L111-K113 PolarHBondContact O-N 3.07Å
112	G	91.8	Very high	94	Very high	68 Å²	68	59 Å²	59	70%	0.701	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.2	27.2	-176.6	0	0	0	0	0	113.2	S108 K109 Y110	S108-G112 PolarHBondContact O-N 3.36Å; K109-G112 PolarHBondContact O-N 3.19Å; K109-G112 VanDerWaalsContact O-N 3.11Å; Y110-G112 PolarHBondContact O-N 2.95Å; Y110-G112 VanDerWaalsContact O-N 3.11Å
113	K	91.2	Very high	93.7	Very high	123 Å²	123	62 Å²	62	54%	0.535	31%	0.308	S	S	.	.			trans	-104.4	153.3	-178.2	-56	-57.4	179.6	-177.8	0	111.5	S108 L111 M117	S108-K113 PolarHBondContact O-N 3.41Å; S108-K113 PolarHBondContact OG-O 2.88Å; L111-K113 HydrophobicContact CB-CG 3.9Å; L111-K113 PolarHBondContact O-N 3.07Å; K113-M117 HydrophobicContact CB-CB 3.89Å; K113-M117 HydrophobicContact CB-CG 4.05Å; K113-M117 HydrophobicContact CG-CG 4.34Å
114	H	90.2	Very high	93.3	Very high	119 Å²	119	66.1 Å²	66.1	55%	0.551	33%	0.329	S	S	*	.			trans	-62.1	148.8	175.6	-173	-101.3	0	0	0	111.8	S108 L116 M117	S108-H114 PolarHBondContact OG-O 2.82Å; H114-L116 PolarHBondContact O-N 2.86Å; H114-M117 WeakPolarHBondContact O-CB 3.25Å; H114-M117 PolarHBondContact O-N 2.64Å
115	W	84.8	Confident	93.1	Very high	154 Å²	154	67.3 Å²	67.3	58%	0.583	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.1	-28.1	-172.8	68.1	-92.3	0	0	0	114.8	M117 G118 N119	W115-M117 PolarHBondContact O-N 3.29Å; W115-G118 PolarHBondContact O-N 2.92Å; W115-N119 WeakPolarHBondContact CZ3-ND2 3.44Å
116	L	90.4	Very high	92.8	Very high	90 Å²	90	64.6 Å²	64.6	47%	0.471	33%	0.331	S	S	.	.	H	α-helix	trans	-55.7	-34.3	174	-72.5	170.8	0	0	0	112.6	H114 G118 N119 I120	H114-L116 PolarHBondContact O-N 2.86Å; L116-G118 PolarHBondContact O-N 2.93Å; L116-N119 WeakPolarHBondContact O-CB 3.28Å; L116-N119 PolarHBondContact O-N 3.21Å; L116-N119 VanDerWaalsContact O-N 3.1Å; L116-I120 PolarHBondContact O-N 3.43Å
117	M	92.6	Very high	92.6	Very high	70 Å²	70	68.5 Å²	68.5	35%	0.345	36%	0.359	S	S	.	.	H	α-helix	trans	-62.6	-34.1	175.8	-179.7	59.2	69.3	0	0	111.4	K113 H114 W115 N119 I120 L121	K113-M117 HydrophobicContact CB-CB 3.89Å; K113-M117 HydrophobicContact CB-CG 4.05Å; K113-M117 HydrophobicContact CG-CG 4.34Å; H114-M117 WeakPolarHBondContact O-CB 3.25Å; H114-M117 PolarHBondContact O-N 2.64Å; W115-M117 PolarHBondContact O-N 3.29Å; M117-N119 VanDerWaalsContact C-N 3.28Å; M117-N119 PolarHBondContact O-N 2.83Å; M117-I120 PolarHBondContact O-N 3.41Å; M117-I120 HydrophobicContact SD-CB 4.28Å; M117-I120 HydrophobicContact SD-CD1 4.4Å; M117-I120 HydrophobicContact SD-CG2 4.45Å; M117-L121 HydrophobicContact CG-CD1 4.37Å; M117-L121 HydrophobicContact CG-CG 4.41Å; M117-L121 WeakPolarHBondContact O-CG 3.47Å; M117-L121 PolarHBondContact O-N 2.9Å; M117-L121 HydrophobicContact SD-CG 4.45Å
118	G	92.8	Very high	92.5	Very high	0 Å²	0	70.4 Å²	70.4	0%	0	37%	0.37	C	S	.	.	H	α-helix	trans	-63.3	-32.9	174.6	0	0	0	0	0	113	F104 S108 W115 L116 S122	F104-G118 VanDerWaalsContact CB-O 3.26Å; F104-G118 WeakPolarHBondContact CB-O 3.35Å; F104-G118 WeakPolarHBondContact O-CA 3.19Å; S108-G118 PolarHBondContact OG-N 3.21Å; W115-G118 PolarHBondContact O-N 2.92Å; L116-G118 PolarHBondContact O-N 2.93Å; G118-S122 WeakPolarHBondContact O-CB 3.31Å; G118-S122 PolarHBondContact O-N 2.94Å
119	N	93.4	Very high	92.5	Very high	63 Å²	63	73.7 Å²	73.7	34%	0.337	39%	0.391	S	S	.	.	H	α-helix	trans	-71.6	-37.5	173.6	-62.9	-24.2	0	0	0	112	W105 W115 L116 M117 S122 L123	W105-N119 PolarHBondContact NE1-OD1 3.3Å; W115-N119 WeakPolarHBondContact CZ3-ND2 3.44Å; L116-N119 WeakPolarHBondContact O-CB 3.28Å; L116-N119 PolarHBondContact O-N 3.21Å; L116-N119 VanDerWaalsContact O-N 3.1Å; M117-N119 VanDerWaalsContact C-N 3.28Å; M117-N119 PolarHBondContact O-N 2.83Å; N119-S122 PolarHBondContact O-N 3.38Å; N119-L123 WeakPolarHBondContact O-CB 3.38Å; N119-L123 PolarHBondContact O-N 2.91Å
120	I	93.7	Very high	92.5	Very high	85 Å²	85	69.3 Å²	69.3	44%	0.436	37%	0.372	S	S	.	.	H	α-helix	trans	-62.2	-48.7	174.8	-63.4	170.8	0	0	0	109.7	L116 M117 S122 L123 L124	L116-I120 PolarHBondContact O-N 3.43Å; M117-I120 PolarHBondContact O-N 3.41Å; M117-I120 HydrophobicContact SD-CB 4.28Å; M117-I120 HydrophobicContact SD-CD1 4.4Å; M117-I120 HydrophobicContact SD-CG2 4.45Å; I120-S122 VanDerWaalsContact C-N 3.3Å; I120-S122 PolarHBondContact O-N 3.32Å; I120-L123 WeakPolarHBondContact O-CB 3.43Å; I120-L123 PolarHBondContact O-N 2.88Å; I120-L123 VanDerWaalsContact O-N 3.12Å; I120-L124 HydrophobicContact CG2-CD1 3.97Å; I120-L124 HydrophobicContact CG2-CG 4.48Å; I120-L124 WeakPolarHBondContact O-CG 3.28Å; I120-L124 PolarHBondContact O-N 3Å
121	L	91.6	Very high	92.6	Very high	23 Å²	23	65.5 Å²	65.5	12%	0.12	36%	0.359	C	S	.	.	H	α-helix	trans	-59	-42.1	175.6	-67.8	174.4	0	0	0	111.6	F104 L107 M117 L123 L124 F125	F104-L121 HydrophobicContact CB-CB 4.14Å; F104-L121 HydrophobicContact CD1-CB 3.73Å; F104-L121 HydrophobicContact CG-CB 4.24Å; L107-L121 HydrophobicContact CB-CD1 4.26Å; M117-L121 HydrophobicContact CG-CD1 4.37Å; M117-L121 HydrophobicContact CG-CG 4.41Å; M117-L121 WeakPolarHBondContact O-CG 3.47Å; M117-L121 PolarHBondContact O-N 2.9Å; M117-L121 HydrophobicContact SD-CG 4.45Å; L121-L123 VanDerWaalsContact C-N 3.32Å; L121-L123 PolarHBondContact O-N 2.83Å; L121-L124 PolarHBondContact O-N 3.3Å; L121-F125 HydrophobicContact CB-CD2 4.47Å; L121-F125 HydrophobicContact CD2-CD2 4.07Å; L121-F125 HydrophobicContact CD2-CE2 3.78Å; L121-F125 WeakPolarHBondContact O-CB 3.36Å; L121-F125 WeakPolarHBondContact O-CD2 3.28Å; L121-F125 PolarHBondContact O-N 3.4Å
122	S	93.6	Very high	92.8	Very high	34 Å²	34	60.9 Å²	60.9	24%	0.238	34%	0.335	C	S	.	.	H	α-helix	trans	-64.4	-34.8	176.1	-171.7	0	0	0	0	112.9	F104 G118 N119 I120 G126	F104-S122 VanDerWaalsContact CD2-CA 3.46Å; F104-S122 VanDerWaalsContact CD2-CB 3.48Å; G118-S122 WeakPolarHBondContact O-CB 3.31Å; G118-S122 PolarHBondContact O-N 2.94Å; N119-S122 PolarHBondContact O-N 3.38Å; I120-S122 VanDerWaalsContact C-N 3.3Å; I120-S122 PolarHBondContact O-N 3.32Å; S122-G126 WeakPolarHBondContact O-CA 3.46Å; S122-G126 PolarHBondContact O-N 3.04Å
123	L	92.5	Very high	93.1	Very high	92 Å²	92	57.8 Å²	57.8	48%	0.482	30%	0.302	S	S	.	.	H	α-helix	trans	-69.4	-39.8	176.9	-178.7	67.2	0	0	0	111.6	V39 Q43 N119 I120 L121	V39-L123 HydrophobicContact CG1-CD1 4.3Å; Q43-L123 HydrophobicContact CG-CD1 4.35Å; Q43-L123 PolarHBondContact NE2-O 2.81Å; N119-L123 WeakPolarHBondContact O-CB 3.38Å; N119-L123 PolarHBondContact O-N 2.91Å; I120-L123 WeakPolarHBondContact O-CB 3.43Å; I120-L123 PolarHBondContact O-N 2.88Å; I120-L123 VanDerWaalsContact O-N 3.12Å; L121-L123 VanDerWaalsContact C-N 3.32Å; L121-L123 PolarHBondContact O-N 2.83Å
124	L	90.6	Very high	93.4	Very high	87 Å²	87	55.6 Å²	55.6	46%	0.455	29%	0.29	S	S	.	.	H	α-helix	trans	-75.1	-44.2	-178.6	-67.4	172.5	0	0	0	112.5	I120 L121	I120-L124 HydrophobicContact CG2-CD1 3.97Å; I120-L124 HydrophobicContact CG2-CG 4.48Å; I120-L124 WeakPolarHBondContact O-CG 3.28Å; I120-L124 PolarHBondContact O-N 3Å; L121-L124 PolarHBondContact O-N 3.3Å
125	F	93.3	Very high	93.7	Very high	28 Å²	28	51 Å²	51	12%	0.123	27%	0.27	C	S	.	.	H	α-helix	trans	-116	-6.8	-167.2	-56	-59.5	0	0	0	114.1	W97 F104 L121 S127 V128 A360 T361	W97-F125 HydrophobicContact CZ3-CB 4.16Å; W97-F125 HydrophobicContact CZ3-CD1 4.31Å; W97-F125 HydrophobicContact CZ3-CG 4.3Å; F104-F125 HydrophobicContact CE1-CB 3.71Å; F104-F125 HydrophobicContact CZ-CB 3.93Å; L121-F125 HydrophobicContact CB-CD2 4.47Å; L121-F125 HydrophobicContact CD2-CD2 4.07Å; L121-F125 HydrophobicContact CD2-CE2 3.78Å; L121-F125 WeakPolarHBondContact O-CB 3.36Å; L121-F125 WeakPolarHBondContact O-CD2 3.28Å; L121-F125 PolarHBondContact O-N 3.4Å; F125-S127 PolarHBondContact O-N 3.24Å; F125-S127 VanDerWaalsContact O-N 3.12Å; F125-V128 HydrophobicContact CB-CG2 4.48Å; F125-V128 HydrophobicContact CD1-CG2 4.34Å; F125-V128 WeakPolarHBondContact O-CB 3.45Å; F125-V128 PolarHBondContact O-N 3.36Å; F125-V128 VanDerWaalsContact O-N 3.14Å; F125-A360 HydrophobicContact CD1-CB 4.48Å; F125-A360 HydrophobicContact CE1-CB 4.08Å; F125-A360 WeakPolarHBondContact CE1-O 3.22Å; F125-T361 HydrophobicContact CZ-CG2 4.34Å
126	G	92.3	Very high	94.3	Very high	21 Å²	21	44.1 Å²	44.1	22%	0.216	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-11.3	-173.2	0	0	0	0	0	115.6	S122	S122-G126 WeakPolarHBondContact O-CA 3.46Å; S122-G126 PolarHBondContact O-N 3.04Å
127	S	93.4	Very high	94.7	Very high	83 Å²	83	41.9 Å²	41.9	58%	0.58	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-115.7	6.4	175.7	-48.6	0	0	0	0	112.9	F125	F125-S127 PolarHBondContact O-N 3.24Å; F125-S127 VanDerWaalsContact O-N 3.12Å
128	V	94.5	Very high	95	Very high	52 Å²	52	39 Å²	39	32%	0.315	22%	0.222	S	C	.	.			trans	-73.5	131.7	179.7	173.3	0	0	0	0	109.3	W97 F125	W97-V128 HydrophobicContact CB-CG1 4.37Å; W97-V128 VanDerWaalsContact CB-O 3.23Å; W97-V128 WeakPolarHBondContact CB-O 3.23Å; W97-V128 HydrophobicContact CE3-CB 4.16Å; W97-V128 HydrophobicContact CE3-CG1 3.95Å; W97-V128 PolarHBondContact N-O 2.95Å; F125-V128 HydrophobicContact CB-CG2 4.48Å; F125-V128 HydrophobicContact CD1-CG2 4.34Å; F125-V128 WeakPolarHBondContact O-CB 3.45Å; F125-V128 PolarHBondContact O-N 3.36Å; F125-V128 VanDerWaalsContact O-N 3.14Å
129	T	95.9	Very high	95.2	Very high	70 Å²	70	44.6 Å²	44.6	43%	0.429	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	161.5	174	59.4	0	0	0	0	111.2	T95	T95-T129 CarbonylContact O-C 3.54Å; T95-T129 WeakPolarHBondContact O-CA 3.17Å; T95-T129 WeakPolarHBondContact O-CB 3.38Å
130	T	96.7	Very high	95.3	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	146.8	168.2	-179	0	0	0	0	108.4	T95 A132 S161 I165	T95-T130 HydrophobicContact CG2-CG2 3.59Å; T95-T130 PolarHBondContact O-N 3.41Å; T130-A132 VanDerWaalsContact C-N 3.26Å; T130-A132 PolarHBondContact O-N 3.18Å; T130-S161 WeakPolarHBondContact CB-OG 3.28Å; T130-S161 WeakPolarHBondContact OG1-CB 3.25Å; T130-S161 PolarHBondContact OG1-OG 3.41Å; T130-I165 HydrophobicContact CG2-CD1 4.48Å; T130-I165 WeakPolarHBondContact OG1-CD1 3.3Å
131	P	96.6	Very high	95.3	Very high	17 Å²	17	46.1 Å²	46.1	11%	0.11	28%	0.279	C	S	.	.	S	Bend	trans	-77.9	70.3	-168.5	31.2	-36.2	0	0	0	113.7	I56 P57 K58 L93 I165	I56-P131 WeakPolarHBondContact O-CG 3.36Å; P57-P131 WeakPolarHBondContact O-CG 3.29Å; K58-P131 HydrophobicContact CG-CB 3.88Å; K58-P131 HydrophobicContact CG-CG 4.2Å; L93-P131 HydrophobicContact CB-CB 4.45Å; L93-P131 HydrophobicContact CD1-CB 4.24Å; L93-P131 HydrophobicContact CD2-CB 4.06Å; L93-P131 HydrophobicContact CG-CB 4.49Å; P131-I165 HydrophobicContact CG-CD1 4.05Å
132	A	97.3	Very high	95.5	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	29%	0.288	C	S	.	.	S	Bend	trans	-138.5	148.6	170.7	0	0	0	0	0	110.9	V65 C67 L93 D94 T95 T130 W134 I165	V65-A132 HydrophobicContact CG1-CB 4.12Å; V65-A132 CarbonylContact O-C 3.11Å; V65-A132 WeakPolarHBondContact O-CA 3.34Å; C67-A132 HydrophobicContact CB-CB 3.63Å; L93-A132 CarbonylContact C-O 3.59Å; D94-A132 PolarHBondContact N-O 3.35Å; T95-A132 VanDerWaalsContact CB-O 3.29Å; T95-A132 WeakPolarHBondContact CB-O 3.17Å; T95-A132 PolarHBondContact N-O 3.43Å; T95-A132 VanDerWaalsContact N-O 3.16Å; T95-A132 PolarHBondContact OG1-O 2.8Å; T130-A132 VanDerWaalsContact C-N 3.26Å; T130-A132 PolarHBondContact O-N 3.18Å; A132-W134 PolarHBondContact O-N 2.9Å; A132-I165 HydrophobicContact CB-CD1 4.06Å; A132-I165 HydrophobicContact CB-CG1 4.17Å
133	N	97.4	Very high	95.8	Very high	3 Å²	3	51.9 Å²	51.9	2%	0.016	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	109.5	-177.1	-57.8	-43.5	0	0	0	110.2	V65 G66 C67 D89 D91 R92 L93 N135 S136	V65-N133 PolarHBondContact O-N 3.16Å; V65-N133 PolarHBondContact O-ND2 2.66Å; G66-N133 VanDerWaalsContact CA-O 3.32Å; G66-N133 WeakPolarHBondContact CA-O 3.37Å; C67-N133 PolarHBondContact N-O 3.1Å; D89-N133 PolarHBondContact O-ND2 3.23Å; D89-N133 VanDerWaalsContact O-ND2 3.09Å; D91-N133 VanDerWaalsContact C-OD1 3.27Å; D91-N133 PolarHBondContact O-OD1 2.88Å; R92-N133 PolarHBondContact N-OD1 2.74Å; L93-N133 PolarHBondContact N-OD1 2.61Å; L93-N133 VanDerWaalsContact N-OD1 3.08Å; N133-N135 PolarHBondContact O-N 3.32Å; N133-S136 PolarHBondContact O-N 3.44Å
134	W	97.8	Very high	96.1	Very high	76 Å²	76	47.5 Å²	47.5	29%	0.288	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	119.6	-171.8	-176.2	-116.6	0	0	0	112.1	C67 D69 D94 T95 A132 S136 L251	C67-W134 HydrophobicContact CB-CE3 4.32Å; C67-W134 VanDerWaalsContact O-CE3 3.31Å; D69-W134 HydrophobicContact CB-CH2 4.18Å; D94-W134 WeakPolarHBondContact OD1-CB 3.33Å; D94-W134 PolarHBondContact OD1-N 2.98Å; T95-W134 HydrophobicContact CG2-CE3 3.85Å; T95-W134 HydrophobicContact CG2-CZ3 4.27Å; A132-W134 PolarHBondContact O-N 2.9Å; W134-S136 PolarHBondContact O-N 2.91Å; W134-L251 HydrophobicContact CH2-CD1 4.35Å; W134-L251 HydrophobicContact CZ2-CD1 4.08Å; W134-L251 HydrophobicContact CZ2-CD2 4Å
135	N	97.2	Very high	96.5	Very high	24 Å²	24	43.9 Å²	43.9	13%	0.128	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	55.7	24.4	-174.8	-56.7	-53	0	0	0	114.9	C67 T68 N133 K252 F253	C67-N135 PolarHBondContact O-N 3.43Å; T68-N135 WeakPolarHBondContact CB-OD1 3.27Å; T68-N135 PolarHBondContact OG1-OD1 3.26Å; N133-N135 PolarHBondContact O-N 3.32Å; N135-K252 HydrophobicContact CB-CB 4.3Å; N135-F253 HydrophobicContact CB-CB 4Å; N135-F253 WeakPolarHBondContact OD1-CB 3.37Å
136	S	97.5	Very high	96.7	Very high	9 Å²	9	42.5 Å²	42.5	6%	0.063	25%	0.252	C	S	.	.	P	Polyproline II helix	trans	-61.9	146.3	170.2	179.6	0	0	0	0	109.9	Y85 D89 N133 W134	Y85-S136 VanDerWaalsContact CE2-O 3.27Å; Y85-S136 WeakPolarHBondContact CE2-O 3.45Å; Y85-S136 PolarHBondContact OH-O 3.15Å; D89-S136 WeakPolarHBondContact CB-OG 3.29Å; D89-S136 PolarHBondContact OD2-OG 3.48Å; D89-S136 VanDerWaalsContact OD2-OG 3.06Å; N133-S136 PolarHBondContact O-N 3.44Å; W134-S136 PolarHBondContact O-N 2.91Å
137	P	97.8	Very high	97.1	Very high	43 Å²	43	41.5 Å²	41.5	28%	0.279	24%	0.242	S	C	.	.	P	Polyproline II helix	trans	-57.8	146.1	177.6	-25.4	36.3	0	0	0	113	S87 Q88 D89 Q257	S87-P137 WeakPolarHBondContact CA-O 3.23Å; Q88-P137 HydrophobicContact CG-CB 4.29Å; Q88-P137 PolarHBondContact N-O 2.97Å; D89-P137 VanDerWaalsContact OD2-CD 3.29Å; D89-P137 WeakPolarHBondContact OD2-CD 3.39Å; P137-Q257 VanDerWaalsContact CA-OE1 3.27Å
138	L	98.3	Very high	97.3	Very high	8 Å²	8	37.6 Å²	37.6	4%	0.042	21%	0.214	C	C	.	.	B	Isolated β-bridge	trans	-64.8	136.2	173.3	178.9	70.8	0	0	0	109.7	Y85 Q88 P140 Y144 I173 F253 Q257 L258	Y85-L138 HydrophobicContact CD2-CB 4.38Å; Y85-L138 HydrophobicContact CD2-CD1 3.69Å; Y85-L138 HydrophobicContact CG-CD1 3.94Å; Q88-L138 WeakPolarHBondContact CG-O 3.49Å; Q88-L138 PolarHBondContact NE2-O 3.18Å; L138-P140 WeakPolarHBondContact O-CD 3.44Å; L138-Y144 HydrophobicContact CD1-CE2 4.16Å; L138-Y144 HydrophobicContact CG-CE2 4.48Å; L138-I173 HydrophobicContact CD1-CD1 4.24Å; L138-F253 HydrophobicContact CB-CE2 4.43Å; L138-F253 HydrophobicContact CB-CZ 4.32Å; L138-Q257 HydrophobicContact CB-CB 4.26Å; L138-Q257 VanDerWaalsContact CD2-O 3.29Å; L138-Q257 WeakPolarHBondContact CD2-O 3.29Å; L138-L258 HydrophobicContact CD2-CD2 4.12Å
139	R	97.9	Very high	97.5	Very high	118 Å²	118	35.3 Å²	35.3	45%	0.445	20%	0.2	S	C	.	.	P	Polyproline II helix	trans	-63.6	120.6	172.7	-178	-176.6	175	100.1	-0.8	110.5	P86 Q88 Y144	P86-R139 HydrophobicContact CB-CB 4.19Å; P86-R139 WeakPolarHBondContact O-CB 3.36Å; P86-R139 PolarHBondContact O-N 2.75Å; Q88-R139 HydrophobicContact CG-CB 4.45Å; R139-Y144 WeakPolarHBondContact CB-OH 3.19Å; R139-Y144 WeakPolarHBondContact CG-OH 3.47Å; R139-Y144 WeakPolarHBondContact O-CE2 3.26Å; R139-Y144 PolarHBondContact O-OH 2.72Å
140	P	96.4	Very high	97.7	Very high	90 Å²	90	32 Å²	32	58%	0.584	18%	0.18	S	C	*	.	P	Polyproline II helix	trans	-86.3	172.1	-176.1	36.5	-32.5	0	0	0	111	L138	L138-P140 WeakPolarHBondContact O-CD 3.44Å
141	G	93.4	Very high	97.8	Very high	91 Å²	91	32 Å²	32	94%	0.938	18%	0.18	S	C	*	.	S	Bend	trans	88.1	3.3	168.4	0	0	0	0	0	116
142	E	96.1	Very high	97.9	Very high	68 Å²	68	31.3 Å²	31.3	32%	0.318	18%	0.176	S	C	.	.	S	Bend	trans	-138.8	152.1	174.2	-175.2	174.6	-179.5	0	0	109.5	Y63 Y144 K400	Y63-E142 PolarHBondContact OH-OE1 3.48Å; Y63-E142 PolarHBondContact OH-OE2 2.94Å; E142-Y144 HydrophobicContact CB-CE1 3.93Å; E142-Y144 HydrophobicContact CG-CD1 4.24Å; E142-Y144 HydrophobicContact CG-CE1 3.97Å; E142-K400 IonicContact OE1-NZ 2.76Å; E142-K400 PolarHBondContact OE1-NZ 3.3Å
143	K	98.4	Very high	98	Very high	109 Å²	109	32.8 Å²	32.8	47%	0.474	18%	0.184	S	C	.	.	P	Polyproline II helix	trans	-97.9	127.2	166.8	-72.7	-177.7	179.4	-177.4	0	108.9	D260 S261 D263	K143-D260 WeakPolarHBondContact CE-O 3.5Å; K143-D260 WeakPolarHBondContact CG-O 3.25Å; K143-S261 CarbonylContact C-O 3.59Å; K143-S261 VanDerWaalsContact CA-O 3.31Å; K143-S261 WeakPolarHBondContact CA-O 3.13Å; K143-D263 HydrophobicContact CB-CB 4.21Å
144	Y	98.9	Very high	98	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	139.1	-174.5	-56.1	-70	0	0	0	111.4	Y63 P86 L138 R139 E142 G171 I173 S261 D263	Y63-Y144 HydrophobicContact CE1-CE1 4.35Å; P86-Y144 HydrophobicContact CB-CE1 4.06Å; P86-Y144 HydrophobicContact CG-CD1 3.88Å; P86-Y144 HydrophobicContact CG-CE1 3.67Å; P86-Y144 HydrophobicContact CG-CE2 4.5Å; P86-Y144 HydrophobicContact CG-CG 4.37Å; L138-Y144 HydrophobicContact CD1-CE2 4.16Å; L138-Y144 HydrophobicContact CG-CE2 4.48Å; R139-Y144 WeakPolarHBondContact CB-OH 3.19Å; R139-Y144 WeakPolarHBondContact CG-OH 3.47Å; R139-Y144 WeakPolarHBondContact O-CE2 3.26Å; R139-Y144 PolarHBondContact O-OH 2.72Å; E142-Y144 HydrophobicContact CB-CE1 3.93Å; E142-Y144 HydrophobicContact CG-CD1 4.24Å; E142-Y144 HydrophobicContact CG-CE1 3.97Å; Y144-G171 VanDerWaalsContact CD1-O 3.28Å; Y144-G171 WeakPolarHBondContact CD1-O 3.14Å; Y144-I173 HydrophobicContact CD2-CD1 3.77Å; Y144-I173 HydrophobicContact CD2-CG1 4.1Å; Y144-I173 HydrophobicContact CG-CD1 4.31Å; Y144-I173 HydrophobicContact CG-CG1 4.26Å; Y144-S261 PolarHBondContact N-O 3.14Å; Y144-D263 PolarHBondContact O-N 2.85Å
145	P	98.9	Very high	98	Very high	11 Å²	11	29.6 Å²	29.6	7%	0.071	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.1	149.8	162.9	27.5	-36.7	0	0	0	110.8	G171 F172 I173 K266 L396 L398	P145-G171 WeakPolarHBondContact CD-O 3.11Å; P145-F172 HydrophobicContact CB-CD1 3.66Å; P145-F172 HydrophobicContact CB-CE1 3.73Å; P145-F172 HydrophobicContact CG-CD1 3.37Å; P145-F172 HydrophobicContact CG-CD2 4.44Å; P145-F172 HydrophobicContact CG-CE1 3.53Å; P145-F172 HydrophobicContact CG-CG 3.88Å; P145-F172 HydrophobicContact CG-CZ 4.18Å; P145-I173 PolarHBondContact O-N 3.31Å; P145-K266 WeakPolarHBondContact CA-O 3.16Å; P145-K266 HydrophobicContact CB-CB 3.84Å; P145-L396 HydrophobicContact CB-CD1 4.49Å; P145-L398 HydrophobicContact CB-CD2 4Å; P145-L398 HydrophobicContact CG-CD2 3.92Å
146	L	98.9	Very high	98.1	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	129.3	-175.5	176.7	64	0	0	0	111.3	I173 A175 L233 I236 I262 K266 I267 A268	L146-I173 WeakPolarHBondContact CA-O 3.3Å; L146-I173 HydrophobicContact CD1-CB 4.24Å; L146-I173 HydrophobicContact CD1-CG2 3.81Å; L146-I173 WeakPolarHBondContact CD1-O 3.31Å; L146-A175 HydrophobicContact CD1-CB 4.37Å; L146-L233 HydrophobicContact CD2-CD1 3.56Å; L146-I236 HydrophobicContact CD1-CD1 3.99Å; L146-I236 HydrophobicContact CD1-CG2 4.39Å; L146-I236 HydrophobicContact CD2-CB 4.29Å; L146-I236 HydrophobicContact CD2-CD1 4.22Å; L146-I236 HydrophobicContact CD2-CG2 3.81Å; L146-I262 HydrophobicContact CB-CG2 4.18Å; L146-I262 HydrophobicContact CD2-CG2 4.44Å; L146-K266 PolarHBondContact N-O 3.49Å; L146-I267 CarbonylContact O-C 3.6Å; L146-I267 WeakPolarHBondContact O-CA 3.36Å; L146-A268 PolarHBondContact O-N 3.31Å
147	V	99	Very high	98.2	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	122.3	168.1	174.9	0	0	0	0	109.5	L167 F172 I173 V174 A175 A268 I270	V147-L167 HydrophobicContact CG1-CD1 4.33Å; V147-L167 HydrophobicContact CG2-CD1 4.41Å; V147-F172 HydrophobicContact CG2-CD1 3.8Å; V147-F172 HydrophobicContact CG2-CE1 4.31Å; V147-I173 PolarHBondContact N-O 2.81Å; V147-V174 HydrophobicContact CB-CG1 4.4Å; V147-V174 HydrophobicContact CB-CG2 4.36Å; V147-V174 HydrophobicContact CG1-CG1 4.34Å; V147-V174 CarbonylContact O-C 3.47Å; V147-V174 WeakPolarHBondContact O-CA 3.39Å; V147-A175 PolarHBondContact O-N 3.1Å; V147-A268 WeakPolarHBondContact CA-O 3.29Å; V147-A268 HydrophobicContact CG2-CB 4.42Å; V147-I270 HydrophobicContact CG1-CB 4.04Å; V147-I270 HydrophobicContact CG1-CD1 3.79Å; V147-I270 HydrophobicContact CG1-CG1 3.73Å; V147-I270 HydrophobicContact CG2-CD1 4.39Å
148	V	99	Very high	98.2	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	124.6	163.7	178.3	0	0	0	0	108.4	V177 C229 A268 V269 I270 F289	V148-V177 HydrophobicContact CG1-CG2 3.78Å; V148-C229 HydrophobicContact CG1-CB 3.97Å; V148-A268 PolarHBondContact N-O 2.91Å; V148-V269 WeakPolarHBondContact O-CA 3.22Å; V148-I270 PolarHBondContact O-N 2.68Å; V148-F289 HydrophobicContact CB-CE1 3.87Å; V148-F289 HydrophobicContact CB-CZ 4.26Å; V148-F289 HydrophobicContact CG2-CE1 3.74Å; V148-F289 HydrophobicContact CG2-CZ 4Å
149	F	98.9	Very high	98.2	Very high	4 Å²	4	25.9 Å²	25.9	2%	0.018	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	132.9	-178.2	-168.3	-77.4	0	0	0	112	Y160 I163 V174 A175 A176 V177 I270 H272 L295	F149-Y160 HydrophobicContact CD1-CD2 4.4Å; F149-Y160 HydrophobicContact CD1-CG 4.3Å; F149-Y160 AromaticContact CE1-CD1 3.75Å; F149-Y160 HydrophobicContact CE1-CD1 3.75Å; F149-Y160 AromaticContact CE1-CD2 3.52Å; F149-Y160 HydrophobicContact CE1-CD2 3.52Å; F149-Y160 HydrophobicContact CE1-CE1 4.39Å; F149-Y160 HydrophobicContact CE1-CE2 4.19Å; F149-Y160 AromaticContact CE1-CG 3.28Å; F149-Y160 HydrophobicContact CE1-CG 3.28Å; F149-Y160 AromaticContact CZ-CD1 3.52Å; F149-Y160 HydrophobicContact CZ-CD1 3.52Å; F149-Y160 HydrophobicContact CZ-CD2 4.19Å; F149-Y160 HydrophobicContact CZ-CE1 4.25Å; F149-Y160 AromaticContact CZ-CG 3.5Å; F149-Y160 HydrophobicContact CZ-CG 3.5Å; F149-Y160 VanDerWaalsContact CZ-CG 3.5Å; F149-I163 HydrophobicContact CD2-CG2 4.49Å; F149-I163 HydrophobicContact CE2-CD1 4.23Å; F149-I163 HydrophobicContact CE2-CG2 4.06Å; F149-I163 HydrophobicContact CZ-CD1 4.34Å; F149-V174 HydrophobicContact CB-CG1 4.18Å; F149-A175 PolarHBondContact N-O 3.17Å; F149-A176 HydrophobicContact CB-CB 4.19Å; F149-V177 PolarHBondContact O-N 3.06Å; F149-I270 CarbonylContact C-O 3.25Å; F149-I270 VanDerWaalsContact CA-O 3.25Å; F149-I270 WeakPolarHBondContact CA-O 3.27Å; F149-I270 HydrophobicContact CD2-CB 3.96Å; F149-I270 HydrophobicContact CD2-CG2 3.86Å; F149-I270 HydrophobicContact CE2-CB 4.35Å; F149-I270 HydrophobicContact CE2-CG2 3.73Å; F149-H272 HydrophobicContact CZ-CB 4.39Å; F149-L295 HydrophobicContact CE2-CD1 4.26Å
150	S	98.9	Very high	98.3	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	123.6	178.7	-175.6	0	0	0	0	112.1	H179 R225 I270 G271 H272 G275 T278	S150-H179 PolarHBondContact OG-NE2 3.41Å; S150-R225 VanDerWaalsContact OG-CZ 3.24Å; S150-R225 PolarHBondContact OG-NH1 3.47Å; S150-R225 VanDerWaalsContact OG-NH1 3.12Å; S150-R225 PolarHBondContact OG-NH2 3.12Å; S150-I270 PolarHBondContact N-O 3.45Å; S150-G271 WeakPolarHBondContact O-CA 3.38Å; S150-H272 PolarHBondContact O-N 3.06Å; S150-H272 VanDerWaalsContact O-N 3.12Å; S150-G275 WeakPolarHBondContact O-CA 3.26Å; S150-G275 WeakPolarHBondContact OG-CA 3.42Å; S150-T278 WeakPolarHBondContact OG-CG2 3.47Å
151	H	98.9	Very high	98.4	Very high	2 Å²	2	16.6 Å²	16.6	1%	0.009	10%	0.104	C	C	.	.	P	Polyproline II helix	trans	-74.2	171.1	-174.9	65.2	71.7	0	0	0	114.3	A155 Y160 V177 H179 R225 G275	H151-A155 HydrophobicContact CB-CB 4.04Å; H151-Y160 HydrophobicContact CB-CD2 4Å; H151-Y160 HydrophobicContact CB-CE2 3.56Å; H151-V177 PolarHBondContact CD2-O 3.34Å; H151-H179 AromaticContact CD2-CD2 3.67Å; H151-H179 AromaticContact CE1-CD2 3.91Å; H151-H179 AromaticContact NE2-CD2 3.5Å; H151-H179 AromaticContact NE2-CG 3.93Å; H151-H179 PolarHBondContact NE2-N 3.24Å; H151-H179 VanDerWaalsContact NE2-N 3.14Å; H151-R225 PolarHBondContact O-NH2 3.37Å; H151-G275 WeakPolarHBondContact O-CA 3.17Å; H151-G275 PolarHBondContact O-N 3.43Å; H151-G275 VanDerWaalsContact O-N 3.09Å
152	G	98.7	Very high	98.6	Very high	2 Å²	2	12.4 Å²	12.4	2%	0.021	6%	0.061	C	C	.	.	P	Polyproline II helix	trans	-78.7	172.3	172.1	0	0	0	0	0	114.7	G154 A155 Y160 H272	G152-G154 PolarHBondContact O-N 2.95Å; G152-A155 WeakPolarHBondContact O-CB 3.46Å; G152-A155 PolarHBondContact O-N 3.18Å; G152-Y160 PolarHBondContact N-OH 3.01Å; G152-Y160 VanDerWaalsContact N-OH 3.16Å; G152-H272 VanDerWaalsContact CA-O 3.27Å; G152-H272 WeakPolarHBondContact CA-O 3.45Å; G152-H272 PolarHBondContact N-O 2.8Å
153	L	98.7	Very high	98.8	Very high	31 Å²	31	9.5 Å²	9.5	16%	0.162	5%	0.047	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.5	133.7	168.2	179.4	66.7	0	0	0	109.7	Y110 A155 L206 R218 F274 W298	Y110-L153 HydrophobicContact CE2-CG 4.34Å; L153-A155 PolarHBondContact O-N 3.41Å; L153-L206 HydrophobicContact CD1-CD1 3.69Å; L153-R218 VanDerWaalsContact CD1-NH1 3.31Å; L153-F274 HydrophobicContact CB-CB 4.28Å; L153-F274 HydrophobicContact CB-CD1 4.06Å; L153-F274 HydrophobicContact CD1-CD1 4.15Å; L153-F274 HydrophobicContact CD1-CE1 4.46Å; L153-W298 HydrophobicContact CD2-CH2 4.46Å; L153-W298 HydrophobicContact CD2-CZ3 4.18Å
154	G	97.9	Very high	98.8	Very high	3 Å²	3	4.3 Å²	4.3	3%	0.031	3%	0.025	C	C	.	.	T	Hydrogen-bonded Turn	trans	74.3	-2.2	-178.1	0	0	0	0	0	114.3	G152 S183 S185	G152-G154 PolarHBondContact O-N 2.95Å; G154-S183 PolarHBondContact N-O 3.32Å; G154-S185 WeakPolarHBondContact O-CB 2.97Å; G154-S185 PolarHBondContact O-OG 3.01Å
155	A	98.6	Very high	98.8	Very high	8 Å²	8	4.4 Å²	4.4	7%	0.066	3%	0.026	C	C	.	.			trans	-90.7	-169.1	169.8	0	0	0	0	0	111.1	H151 G152 L153 I159 Y160 A184 S185	H151-A155 HydrophobicContact CB-CB 4.04Å; G152-A155 WeakPolarHBondContact O-CB 3.46Å; G152-A155 PolarHBondContact O-N 3.18Å; L153-A155 PolarHBondContact O-N 3.41Å; A155-I159 HydrophobicContact CB-CB 4.27Å; A155-I159 HydrophobicContact CB-CG1 4.46Å; A155-I159 HydrophobicContact CB-CG2 4.26Å; A155-Y160 HydrophobicContact CB-CE2 3.84Å; A155-A184 WeakPolarHBondContact O-CA 3.47Å; A155-A184 WeakPolarHBondContact O-CB 3.23Å; A155-S185 PolarHBondContact O-N 2.76Å; A155-S185 VanDerWaalsContact O-N 3.15Å
156	F	98.9	Very high	98.8	Very high	0 Å²	0	4 Å²	4	0%	0	2%	0.023	C	C	.	.			trans	-162.8	179.6	174.8	40.9	-90.7	0	0	0	108.5	I98 Y103 L107 T158 I159 E178	I98-F156 HydrophobicContact CD1-CZ 4.2Å; I98-F156 HydrophobicContact CG1-CE2 4.12Å; I98-F156 HydrophobicContact CG1-CZ 4.25Å; I98-F156 HydrophobicContact CG2-CE2 4.12Å; I98-F156 HydrophobicContact CG2-CZ 4.08Å; Y103-F156 HydrophobicContact CD1-CB 4.16Å; Y103-F156 AromaticContact CD1-CD1 3.61Å; Y103-F156 HydrophobicContact CD1-CD1 3.61Å; Y103-F156 AromaticContact CD1-CD2 3.57Å; Y103-F156 HydrophobicContact CD1-CD2 3.57Å; Y103-F156 AromaticContact CD1-CE1 3.82Å; Y103-F156 HydrophobicContact CD1-CE1 3.82Å; Y103-F156 AromaticContact CD1-CE2 3.77Å; Y103-F156 HydrophobicContact CD1-CE2 3.77Å; Y103-F156 AromaticContact CD1-CG 3.49Å; Y103-F156 HydrophobicContact CD1-CG 3.49Å; Y103-F156 VanDerWaalsContact CD1-CG 3.49Å; Y103-F156 AromaticContact CD1-CZ 3.9Å; Y103-F156 HydrophobicContact CD1-CZ 3.9Å; Y103-F156 HydrophobicContact CE1-CB 3.92Å; Y103-F156 HydrophobicContact CE1-CD1 4.24Å; Y103-F156 AromaticContact CE1-CD2 3.82Å; Y103-F156 HydrophobicContact CE1-CD2 3.82Å; Y103-F156 HydrophobicContact CE1-CE2 4.41Å; Y103-F156 AromaticContact CE1-CG 3.73Å; Y103-F156 HydrophobicContact CE1-CG 3.73Å; Y103-F156 HydrophobicContact CG-CD1 4.46Å; Y103-F156 HydrophobicContact CG-CD2 4.12Å; Y103-F156 HydrophobicContact CG-CE1 4.25Å; Y103-F156 AromaticContact CG-CE2 3.87Å; Y103-F156 HydrophobicContact CG-CE2 3.87Å; Y103-F156 HydrophobicContact CG-CG 4.41Å; Y103-F156 AromaticContact CG-CZ 3.96Å; Y103-F156 HydrophobicContact CG-CZ 3.96Å; L107-F156 HydrophobicContact CD1-CE1 4.05Å; L107-F156 HydrophobicContact CD1-CZ 4.05Å; L107-F156 HydrophobicContact CD2-CE1 4Å; L107-F156 HydrophobicContact CG-CE1 3.9Å; L107-F156 HydrophobicContact CG-CZ 4.4Å; F156-T158 WeakPolarHBondContact CD2-OG1 3.49Å; F156-T158 VanDerWaalsContact CE2-OG1 3.32Å; F156-T158 WeakPolarHBondContact CE2-OG1 3.2Å; F156-T158 PolarHBondContact O-N 3.17Å; F156-I159 HydrophobicContact CD1-CG1 4.34Å; F156-I159 HydrophobicContact CD2-CD1 4.28Å; F156-I159 HydrophobicContact CD2-CG1 3.85Å; F156-I159 HydrophobicContact CE1-CD1 4.32Å; F156-I159 HydrophobicContact CE1-CG1 4.16Å; F156-I159 HydrophobicContact CE2-CD1 3.57Å; F156-I159 HydrophobicContact CE2-CG1 3.65Å; F156-I159 HydrophobicContact CG-CG1 4.19Å; F156-I159 HydrophobicContact CZ-CD1 3.58Å; F156-I159 HydrophobicContact CZ-CG1 3.8Å; F156-I159 PolarHBondContact O-N 3.04Å; F156-E178 HydrophobicContact CB-CG 4.22Å
157	R	98.8	Very high	98.8	Very high	3 Å²	3	4.1 Å²	4.1	1%	0.011	2%	0.024	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-16.2	-164.4	73.3	-171.7	-172.3	-76.3	0.3	116.4	D69 F80 R82 Y103 A176 E178	D69-R157 VanDerWaalsContact CG-NH2 3.35Å; D69-R157 IonicContact OD1-CZ 2.71Å; D69-R157 IonicContact OD1-NE 3.69Å; D69-R157 PolarHBondContact OD1-NE 2.81Å; D69-R157 IonicContact OD1-NH2 3.7Å; D69-R157 IonicContact OD2-CZ 2.68Å; D69-R157 IonicContact OD2-NE 2.87Å; D69-R157 IonicContact OD2-NH2 3.43Å; D69-R157 PolarHBondContact OD2-NH2 3.23Å; F80-R157 VanDerWaalsContact CZ-NH1 3.26Å; R82-R157 HydrophobicContact CB-CB 4.25Å; R82-R157 HydrophobicContact CB-CG 3.92Å; Y103-R157 PolarHBondContact OH-NH1 3.18Å; R157-A176 WeakPolarHBondContact CB-O 3.4Å; R157-A176 WeakPolarHBondContact O-CB 3.29Å; R157-E178 HydrophobicContact CB-CB 3.97Å; R157-E178 HydrophobicContact CB-CG 4.49Å; R157-E178 HydrophobicContact CG-CB 4.37Å; R157-E178 WeakPolarHBondContact CG-OE2 3.26Å; R157-E178 IonicContact CZ-OE2 3.18Å; R157-E178 PolarHBondContact N-OE2 3.47Å; R157-E178 IonicContact NH1-OE1 3.58Å; R157-E178 IonicContact NH1-OE2 2.75Å; R157-E178 PolarHBondContact NH1-OE2 2.99Å
158	T	98.8	Very high	98.8	Very high	0 Å²	0	4.1 Å²	4.1	0%	0	2%	0.024	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.1	0.2	-172	73.5	0	0	0	0	114.4	W97 F156 Y160 D356	W97-T158 PolarHBondContact NE1-O 2.86Å; W97-T158 VanDerWaalsContact NE1-O 3.13Å; W97-T158 WeakPolarHBondContact O-CB 3.26Å; W97-T158 PolarHBondContact O-OG1 2.99Å; F156-T158 WeakPolarHBondContact CD2-OG1 3.49Å; F156-T158 VanDerWaalsContact CE2-OG1 3.32Å; F156-T158 WeakPolarHBondContact CE2-OG1 3.2Å; F156-T158 PolarHBondContact O-N 3.17Å; T158-Y160 VanDerWaalsContact C-N 3.34Å; T158-D356 VanDerWaalsContact O-OD2 3.11Å
159	I	98.4	Very high	98.7	Very high	4 Å²	4	4.2 Å²	4.2	2%	0.021	2%	0.024	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.1	2.6	-172.7	-59.2	-57.5	0	0	0	113.5	W97 I98 A155 F156 A355 D356 F357	W97-I159 HydrophobicContact CZ2-CD1 3.99Å; I98-I159 HydrophobicContact CD1-CD1 3.91Å; I98-I159 HydrophobicContact CG1-CD1 4.08Å; A155-I159 HydrophobicContact CB-CB 4.27Å; A155-I159 HydrophobicContact CB-CG1 4.46Å; A155-I159 HydrophobicContact CB-CG2 4.26Å; F156-I159 HydrophobicContact CD1-CG1 4.34Å; F156-I159 HydrophobicContact CD2-CD1 4.28Å; F156-I159 HydrophobicContact CD2-CG1 3.85Å; F156-I159 HydrophobicContact CE1-CD1 4.32Å; F156-I159 HydrophobicContact CE1-CG1 4.16Å; F156-I159 HydrophobicContact CE2-CD1 3.57Å; F156-I159 HydrophobicContact CE2-CG1 3.65Å; F156-I159 HydrophobicContact CG-CG1 4.19Å; F156-I159 HydrophobicContact CZ-CD1 3.58Å; F156-I159 HydrophobicContact CZ-CG1 3.8Å; F156-I159 PolarHBondContact O-N 3.04Å; I159-A355 HydrophobicContact CG2-CB 4.12Å; I159-D356 WeakPolarHBondContact O-CB 3.24Å; I159-D356 PolarHBondContact O-N 3.05Å; I159-F357 HydrophobicContact CD1-CD2 4.4Å; I159-F357 HydrophobicContact CD1-CE2 3.74Å; I159-F357 HydrophobicContact CD1-CZ 4.46Å; I159-F357 HydrophobicContact CG2-CD2 4.07Å; I159-F357 HydrophobicContact CG2-CE2 4.33Å
160	Y	98.8	Very high	98.7	Very high	12 Å²	12	4.7 Å²	4.7	5%	0.047	3%	0.027	C	C	.	.	T	Hydrogen-bonded Turn	trans	-129.5	34.4	-177.7	-60.7	-85.8	0	0	0	111.4	F149 H151 G152 A155 T158 A162 I163 G164 H272 F354 A355 D356	F149-Y160 HydrophobicContact CD1-CD2 4.4Å; F149-Y160 HydrophobicContact CD1-CG 4.3Å; F149-Y160 AromaticContact CE1-CD1 3.75Å; F149-Y160 HydrophobicContact CE1-CD1 3.75Å; F149-Y160 AromaticContact CE1-CD2 3.52Å; F149-Y160 HydrophobicContact CE1-CD2 3.52Å; F149-Y160 HydrophobicContact CE1-CE1 4.39Å; F149-Y160 HydrophobicContact CE1-CE2 4.19Å; F149-Y160 AromaticContact CE1-CG 3.28Å; F149-Y160 HydrophobicContact CE1-CG 3.28Å; F149-Y160 AromaticContact CZ-CD1 3.52Å; F149-Y160 HydrophobicContact CZ-CD1 3.52Å; F149-Y160 HydrophobicContact CZ-CD2 4.19Å; F149-Y160 HydrophobicContact CZ-CE1 4.25Å; F149-Y160 AromaticContact CZ-CG 3.5Å; F149-Y160 HydrophobicContact CZ-CG 3.5Å; F149-Y160 VanDerWaalsContact CZ-CG 3.5Å; H151-Y160 HydrophobicContact CB-CD2 4Å; H151-Y160 HydrophobicContact CB-CE2 3.56Å; G152-Y160 PolarHBondContact N-OH 3.01Å; G152-Y160 VanDerWaalsContact N-OH 3.16Å; A155-Y160 HydrophobicContact CB-CE2 3.84Å; T158-Y160 VanDerWaalsContact C-N 3.34Å; Y160-A162 VanDerWaalsContact C-N 3.34Å; Y160-I163 HydrophobicContact CD1-CD1 4.33Å; Y160-I163 PolarHBondContact O-N 2.89Å; Y160-G164 PolarHBondContact O-N 2.84Å; Y160-H272 HydrophobicContact CD1-CB 4.23Å; Y160-H272 HydrophobicContact CE1-CB 3.45Å; Y160-H272 VanDerWaalsContact CE1-CB 3.45Å; Y160-H272 AromaticContact CE1-CG 3.61Å; Y160-H272 AromaticContact CE1-ND1 3.54Å; Y160-H272 AromaticContact CZ-ND1 3.58Å; Y160-H272 PolarHBondContact OH-ND1 3.17Å; Y160-F354 WeakPolarHBondContact CD1-O 3.48Å; Y160-F354 WeakPolarHBondContact CE1-O 3.22Å; Y160-A355 HydrophobicContact CD1-CB 4.43Å; Y160-A355 HydrophobicContact CE1-CB 3.83Å; Y160-D356 PolarHBondContact N-OD2 3.49Å
161	S	98.8	Very high	98.7	Very high	0 Å²	0	4.8 Å²	4.8	0%	0	3%	0.027	C	C	.	.	H	α-helix	trans	-67.6	-31.8	-178.9	63.5	0	0	0	0	112.6	Y84 T130 I163 G164 I165 D356	Y84-S161 VanDerWaalsContact OH-CB 3.3Å; Y84-S161 WeakPolarHBondContact OH-CB 3.37Å; T130-S161 WeakPolarHBondContact CB-OG 3.28Å; T130-S161 WeakPolarHBondContact OG1-CB 3.25Å; T130-S161 PolarHBondContact OG1-OG 3.41Å; S161-I163 VanDerWaalsContact C-N 3.29Å; S161-I163 PolarHBondContact O-N 3.42Å; S161-G164 PolarHBondContact O-N 3.04Å; S161-I165 WeakPolarHBondContact O-CB 3.42Å; S161-I165 WeakPolarHBondContact O-CD1 3.43Å; S161-I165 WeakPolarHBondContact O-CG1 3.41Å; S161-I165 PolarHBondContact O-N 3.29Å; S161-D356 WeakPolarHBondContact CB-OD2 3.35Å; S161-D356 VanDerWaalsContact N-CG 3.29Å; S161-D356 PolarHBondContact N-OD1 3.36Å; S161-D356 PolarHBondContact N-OD2 3.29Å; S161-D356 VanDerWaalsContact OG-CG 3.28Å; S161-D356 PolarHBondContact OG-OD2 3.31Å
162	A	98.7	Very high	98.7	Very high	4 Å²	4	4.7 Å²	4.7	3%	0.033	3%	0.027	C	C	.	.	H	α-helix	trans	-55.7	-44.7	174.6	0	0	0	0	0	112.1	I56 P57 Y160 D166 D356 F359 I381	I56-A162 HydrophobicContact CG2-CB 4.05Å; P57-A162 HydrophobicContact CG-CB 4.22Å; Y160-A162 VanDerWaalsContact C-N 3.34Å; A162-D166 WeakPolarHBondContact O-CB 3.31Å; A162-D166 PolarHBondContact O-N 2.92Å; A162-D356 PolarHBondContact N-OD1 3.07Å; A162-F359 HydrophobicContact CB-CD2 4.32Å; A162-F359 HydrophobicContact CB-CE2 3.73Å; A162-I381 HydrophobicContact CB-CG1 4.41Å
163	I	98.9	Very high	98.7	Very high	6 Å²	6	4.6 Å²	4.6	3%	0.031	3%	0.026	C	C	.	.	H	α-helix	trans	-73.2	-46.7	177.8	-62.1	166.9	0	0	0	110.8	F149 Y160 S161 I165 D166 L167 L295 F354 I381	F149-I163 HydrophobicContact CD2-CG2 4.49Å; F149-I163 HydrophobicContact CE2-CD1 4.23Å; F149-I163 HydrophobicContact CE2-CG2 4.06Å; F149-I163 HydrophobicContact CZ-CD1 4.34Å; Y160-I163 HydrophobicContact CD1-CD1 4.33Å; Y160-I163 PolarHBondContact O-N 2.89Å; S161-I163 VanDerWaalsContact C-N 3.29Å; S161-I163 PolarHBondContact O-N 3.42Å; I163-I165 VanDerWaalsContact C-N 3.33Å; I163-I165 PolarHBondContact O-N 3.14Å; I163-D166 PolarHBondContact O-N 3.39Å; I163-L167 HydrophobicContact CG2-CD1 3.88Å; I163-L167 HydrophobicContact CG2-CG 4.42Å; I163-L167 WeakPolarHBondContact O-CG 3.31Å; I163-L167 PolarHBondContact O-N 2.98Å; I163-L295 HydrophobicContact CD1-CD1 3.6Å; I163-F354 WeakPolarHBondContact CD1-O 3.29Å; I163-I381 HydrophobicContact CD1-CD1 4.04Å; I163-I381 HydrophobicContact CG1-CD1 3.64Å; I163-I381 HydrophobicContact CG1-CG1 4.32Å
164	G	98.8	Very high	98.8	Very high	1 Å²	1	3.1 Å²	3.1	1%	0.01	2%	0.018	C	C	.	.	H	α-helix	trans	-62.7	-39.4	-177.6	0	0	0	0	0	113	Y84 Y160 S161 A168	Y84-G164 WeakPolarHBondContact CB-O 3.48Å; Y160-G164 PolarHBondContact O-N 2.84Å; S161-G164 PolarHBondContact O-N 3.04Å; G164-A168 VanDerWaalsContact O-CB 3.27Å; G164-A168 WeakPolarHBondContact O-CB 3.19Å; G164-A168 PolarHBondContact O-N 3.03Å
165	I	98.8	Very high	98.8	Very high	1 Å²	1	3 Å²	3	1%	0.005	2%	0.017	C	C	.	.	H	α-helix	trans	-70.4	-44	177.1	-67.3	167.8	0	0	0	110.3	V65 Y84 T130 P131 A132 S161 I163 A168 S169	V65-I165 HydrophobicContact CB-CG2 4.16Å; V65-I165 HydrophobicContact CG1-CB 4.4Å; V65-I165 HydrophobicContact CG1-CG1 4.21Å; V65-I165 HydrophobicContact CG1-CG2 4.19Å; V65-I165 HydrophobicContact CG2-CG2 3.99Å; V65-I165 WeakPolarHBondContact CG2-O 3.28Å; Y84-I165 HydrophobicContact CD1-CG1 3.79Å; Y84-I165 HydrophobicContact CE1-CD1 4.48Å; Y84-I165 HydrophobicContact CE1-CG1 4.02Å; T130-I165 HydrophobicContact CG2-CD1 4.48Å; T130-I165 WeakPolarHBondContact OG1-CD1 3.3Å; P131-I165 HydrophobicContact CG-CD1 4.05Å; A132-I165 HydrophobicContact CB-CD1 4.06Å; A132-I165 HydrophobicContact CB-CG1 4.17Å; S161-I165 WeakPolarHBondContact O-CB 3.42Å; S161-I165 WeakPolarHBondContact O-CD1 3.43Å; S161-I165 WeakPolarHBondContact O-CG1 3.41Å; S161-I165 PolarHBondContact O-N 3.29Å; I163-I165 VanDerWaalsContact C-N 3.33Å; I163-I165 PolarHBondContact O-N 3.14Å; I165-A168 PolarHBondContact O-N 3.29Å; I165-S169 WeakPolarHBondContact O-CB 3.4Å; I165-S169 PolarHBondContact O-N 2.82Å
166	D	98.9	Very high	98.8	Very high	4 Å²	4	2.8 Å²	2.8	2%	0.021	2%	0.015	C	C	.	.	H	α-helix	trans	-63.3	-46.2	179.5	-172	73.2	0	0	0	112.3	N60 A162 I163 A168 S169 H170 N385	N60-D166 PolarHBondContact N-OD1 2.65Å; A162-D166 WeakPolarHBondContact O-CB 3.31Å; A162-D166 PolarHBondContact O-N 2.92Å; I163-D166 PolarHBondContact O-N 3.39Å; D166-A168 VanDerWaalsContact C-N 3.33Å; D166-A168 PolarHBondContact O-N 3.37Å; D166-S169 PolarHBondContact O-N 3.5Å; D166-S169 PolarHBondContact O-OG 3.37Å; D166-H170 PolarHBondContact O-N 2.84Å; D166-H170 PolarHBondContact O-ND1 2.86Å; D166-H170 IonicContact OD1-CE1 3.64Å; D166-H170 IonicContact OD1-ND1 2.83Å; D166-H170 IonicContact OD2-CE1 2.94Å; D166-H170 IonicContact OD2-ND1 2.7Å; D166-N385 VanDerWaalsContact CB-ND2 3.29Å; D166-N385 WeakPolarHBondContact CB-ND2 3.31Å; D166-N385 WeakPolarHBondContact OD2-CB 3.44Å; D166-N385 PolarHBondContact OD2-ND2 3.24Å
167	L	98.9	Very high	98.8	Very high	2 Å²	2	2.8 Å²	2.8	1%	0.01	2%	0.015	C	C	.	.	H	α-helix	trans	-59	-44.3	173	-71.2	171.1	0	0	0	111.6	V147 I163 S169 H170 G171 F172 V174 I270 L389 L392	V147-L167 HydrophobicContact CG1-CD1 4.33Å; V147-L167 HydrophobicContact CG2-CD1 4.41Å; I163-L167 HydrophobicContact CG2-CD1 3.88Å; I163-L167 HydrophobicContact CG2-CG 4.42Å; I163-L167 WeakPolarHBondContact O-CG 3.31Å; I163-L167 PolarHBondContact O-N 2.98Å; L167-S169 VanDerWaalsContact C-N 3.33Å; L167-S169 PolarHBondContact O-N 3.05Å; L167-H170 CarbonylContact O-C 3.5Å; L167-H170 PolarHBondContact O-N 2.96Å; L167-H170 VanDerWaalsContact O-N 3.07Å; L167-G171 PolarHBondContact O-N 3.44Å; L167-F172 HydrophobicContact CB-CB 4.29Å; L167-F172 HydrophobicContact CD2-CD2 4.45Å; L167-F172 WeakPolarHBondContact O-CB 3.5Å; L167-F172 VanDerWaalsContact O-CD2 3.32Å; L167-F172 WeakPolarHBondContact O-CD2 3.39Å; L167-F172 PolarHBondContact O-N 2.94Å; L167-V174 HydrophobicContact CB-CG2 3.62Å; L167-V174 HydrophobicContact CD1-CG2 4.14Å; L167-I270 HydrophobicContact CD1-CD1 4.03Å; L167-L389 HydrophobicContact CD2-CD2 3.86Å; L167-L389 HydrophobicContact CD2-CG 4.41Å; L167-L392 HydrophobicContact CD2-CD1 3.79Å
168	A	98.9	Very high	98.8	Very high	0 Å²	0	2.7 Å²	2.7	0%	0	1%	0.014	C	C	.	.	H	α-helix	trans	-63	-38.7	177.4	0	0	0	0	0	112.8	V65 G164 I165 D166 H170 G171 F172	V65-A168 HydrophobicContact CB-CB 4.44Å; V65-A168 HydrophobicContact CG1-CB 3.67Å; V65-A168 HydrophobicContact CG2-CB 3.96Å; G164-A168 VanDerWaalsContact O-CB 3.27Å; G164-A168 WeakPolarHBondContact O-CB 3.19Å; G164-A168 PolarHBondContact O-N 3.03Å; I165-A168 PolarHBondContact O-N 3.29Å; D166-A168 VanDerWaalsContact C-N 3.33Å; D166-A168 PolarHBondContact O-N 3.37Å; A168-H170 PolarHBondContact O-N 2.88Å; A168-H170 VanDerWaalsContact O-N 3.16Å; A168-G171 PolarHBondContact O-N 3.44Å; A168-F172 VanDerWaalsContact CA-O 3.28Å; A168-F172 WeakPolarHBondContact CA-O 3.35Å
169	S	98.8	Very high	98.8	Very high	2 Å²	2	2.7 Å²	2.7	1%	0.014	1%	0.014	C	C	.	.	H	α-helix	trans	-64.9	-17.5	175.7	74.5	0	0	0	0	113.1	G59 N60 G61 P62 Y63 I165 D166 L167	G59-S169 WeakPolarHBondContact CA-OG 3.38Å; N60-S169 PolarHBondContact N-OG 3.4Å; G61-S169 CarbonylContact C-O 3.58Å; G61-S169 WeakPolarHBondContact CA-O 3.34Å; G61-S169 WeakPolarHBondContact CA-OG 3.43Å; G61-S169 PolarHBondContact N-OG 2.99Å; P62-S169 VanDerWaalsContact CD-O 3.29Å; P62-S169 WeakPolarHBondContact CD-O 3.48Å; P62-S169 VanDerWaalsContact N-O 3.14Å; Y63-S169 WeakPolarHBondContact CB-O 3.39Å; Y63-S169 VanDerWaalsContact CD2-O 3.3Å; Y63-S169 WeakPolarHBondContact CD2-O 3.29Å; Y63-S169 PolarHBondContact N-O 3.22Å; Y63-S169 WeakPolarHBondContact O-CA 3.37Å; Y63-S169 WeakPolarHBondContact O-CB 3.18Å; I165-S169 WeakPolarHBondContact O-CB 3.4Å; I165-S169 PolarHBondContact O-N 2.82Å; D166-S169 PolarHBondContact O-N 3.5Å; D166-S169 PolarHBondContact O-OG 3.37Å; L167-S169 VanDerWaalsContact C-N 3.33Å; L167-S169 PolarHBondContact O-N 3.05Å
170	H	98.8	Very high	98.9	Very high	14 Å²	14	3.1 Å²	3.1	7%	0.065	2%	0.016	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.7	8.8	175.1	-72.6	97.8	0	0	0	113.6	G61 D166 L167 A168 F172 L389 F402	G61-H170 WeakPolarHBondContact CA-NE2 3.47Å; G61-H170 PolarHBondContact N-CE1 3.31Å; G61-H170 VanDerWaalsContact N-CE1 3.31Å; D166-H170 PolarHBondContact O-N 2.84Å; D166-H170 PolarHBondContact O-ND1 2.86Å; D166-H170 IonicContact OD1-CE1 3.64Å; D166-H170 IonicContact OD1-ND1 2.83Å; D166-H170 IonicContact OD2-CE1 2.94Å; D166-H170 IonicContact OD2-ND1 2.7Å; L167-H170 CarbonylContact O-C 3.5Å; L167-H170 PolarHBondContact O-N 2.96Å; L167-H170 VanDerWaalsContact O-N 3.07Å; A168-H170 PolarHBondContact O-N 2.88Å; A168-H170 VanDerWaalsContact O-N 3.16Å; H170-F172 HydrophobicContact CB-CD2 4.36Å; H170-L389 HydrophobicContact CB-CD1 4.49Å; H170-L389 HydrophobicContact CB-CD2 3.8Å; H170-F402 HydrophobicContact CB-CE1 4.28Å; H170-F402 HydrophobicContact CB-CE2 4.49Å; H170-F402 HydrophobicContact CB-CZ 3.74Å; H170-F402 AromaticContact CD2-CE1 3.53Å; H170-F402 AromaticContact CD2-CZ 3.91Å
171	G	98.6	Very high	98.8	Very high	1 Å²	1	2.9 Å²	2.9	1%	0.01	2%	0.016	C	C	.	.	T	Hydrogen-bonded Turn	trans	91.9	26.4	175	0	0	0	0	0	114.6	Y144 P145 L167 A168	Y144-G171 VanDerWaalsContact CD1-O 3.28Å; Y144-G171 WeakPolarHBondContact CD1-O 3.14Å; P145-G171 WeakPolarHBondContact CD-O 3.11Å; L167-G171 PolarHBondContact O-N 3.44Å; A168-G171 PolarHBondContact O-N 3.44Å
172	F	98.9	Very high	98.8	Very high	1 Å²	1	7.3 Å²	7.3	0%	0.004	3%	0.032	C	C	.	.			trans	-102.8	146.9	171.7	-68.4	-100.8	0	0	0	111.8	P86 P145 V147 L167 A168 H170 V174 L389 L392 L396 L398 F402	P86-F172 WeakPolarHBondContact CD-O 3.18Å; P145-F172 HydrophobicContact CB-CD1 3.66Å; P145-F172 HydrophobicContact CB-CE1 3.73Å; P145-F172 HydrophobicContact CG-CD1 3.37Å; P145-F172 HydrophobicContact CG-CD2 4.44Å; P145-F172 HydrophobicContact CG-CE1 3.53Å; P145-F172 HydrophobicContact CG-CG 3.88Å; P145-F172 HydrophobicContact CG-CZ 4.18Å; V147-F172 HydrophobicContact CG2-CD1 3.8Å; V147-F172 HydrophobicContact CG2-CE1 4.31Å; L167-F172 HydrophobicContact CB-CB 4.29Å; L167-F172 HydrophobicContact CD2-CD2 4.45Å; L167-F172 WeakPolarHBondContact O-CB 3.5Å; L167-F172 VanDerWaalsContact O-CD2 3.32Å; L167-F172 WeakPolarHBondContact O-CD2 3.39Å; L167-F172 PolarHBondContact O-N 2.94Å; A168-F172 VanDerWaalsContact CA-O 3.28Å; A168-F172 WeakPolarHBondContact CA-O 3.35Å; H170-F172 HydrophobicContact CB-CD2 4.36Å; F172-V174 HydrophobicContact CB-CG2 4.29Å; F172-L389 HydrophobicContact CD2-CD2 4.37Å; F172-L389 HydrophobicContact CE2-CD2 3.66Å; F172-L389 HydrophobicContact CZ-CD2 4.41Å; F172-L392 HydrophobicContact CE1-CB 4.38Å; F172-L392 HydrophobicContact CE1-CD1 3.96Å; F172-L392 HydrophobicContact CZ-CB 4.04Å; F172-L392 HydrophobicContact CZ-CD1 3.81Å; F172-L396 HydrophobicContact CE1-CD1 4.28Å; F172-L398 HydrophobicContact CE1-CD1 3.94Å; F172-L398 HydrophobicContact CE2-CD1 4.22Å; F172-L398 HydrophobicContact CZ-CD1 3.34Å; F172-F402 AromaticContact CE2-CE2 3.92Å; F172-F402 HydrophobicContact CE2-CE2 3.92Å; F172-F402 HydrophobicContact CZ-CE2 4.44Å
173	I	98.9	Very high	98.8	Very high	0 Å²	0	7.1 Å²	7.1	0%	0	3%	0.031	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	128.5	157.2	-70.5	171.6	0	0	0	107.7	L83 L138 Y144 P145 L146 V147 L258 I262	L83-I173 HydrophobicContact CD2-CG2 3.97Å; L138-I173 HydrophobicContact CD1-CD1 4.24Å; Y144-I173 HydrophobicContact CD2-CD1 3.77Å; Y144-I173 HydrophobicContact CD2-CG1 4.1Å; Y144-I173 HydrophobicContact CG-CD1 4.31Å; Y144-I173 HydrophobicContact CG-CG1 4.26Å; P145-I173 PolarHBondContact O-N 3.31Å; L146-I173 WeakPolarHBondContact CA-O 3.3Å; L146-I173 HydrophobicContact CD1-CB 4.24Å; L146-I173 HydrophobicContact CD1-CG2 3.81Å; L146-I173 WeakPolarHBondContact CD1-O 3.31Å; V147-I173 PolarHBondContact N-O 2.81Å; I173-L258 HydrophobicContact CD1-CD2 3.84Å; I173-I262 HydrophobicContact CB-CD1 4.4Å; I173-I262 HydrophobicContact CD1-CD1 3.58Å; I173-I262 HydrophobicContact CG2-CD1 4.46Å
174	V	99	Very high	98.8	Very high	0 Å²	0	6.9 Å²	6.9	0%	0	3%	0.03	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	118.8	180	-173.1	0	0	0	0	110.2	L83 Y84 V147 F149 L167 F172	L83-V174 CarbonylContact C-O 3.59Å; L83-V174 VanDerWaalsContact CA-O 3.29Å; L83-V174 WeakPolarHBondContact CA-O 3.41Å; Y84-V174 HydrophobicContact CD2-CB 4.28Å; Y84-V174 HydrophobicContact CD2-CG1 4.38Å; Y84-V174 PolarHBondContact N-O 3.27Å; Y84-V174 PolarHBondContact O-N 3.49Å; V147-V174 HydrophobicContact CB-CG1 4.4Å; V147-V174 HydrophobicContact CB-CG2 4.36Å; V147-V174 HydrophobicContact CG1-CG1 4.34Å; V147-V174 CarbonylContact O-C 3.47Å; V147-V174 WeakPolarHBondContact O-CA 3.39Å; F149-V174 HydrophobicContact CB-CG1 4.18Å; L167-V174 HydrophobicContact CB-CG2 3.62Å; L167-V174 HydrophobicContact CD1-CG2 4.14Å; F172-V174 HydrophobicContact CB-CG2 4.29Å
175	A	98.9	Very high	98.8	Very high	0 Å²	0	6.9 Å²	6.9	0%	0	3%	0.029	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	92.5	177.6	0	0	0	0	0	111	L81 L83 L146 V147 F149 V177 I236	L81-A175 HydrophobicContact CD1-CB 4.47Å; L81-A175 HydrophobicContact CD2-CB 4.23Å; L83-A175 HydrophobicContact CD2-CB 4Å; L146-A175 HydrophobicContact CD1-CB 4.37Å; V147-A175 PolarHBondContact O-N 3.1Å; F149-A175 PolarHBondContact N-O 3.17Å; A175-V177 PolarHBondContact O-N 2.88Å; A175-I236 HydrophobicContact CB-CD1 3.42Å; A175-I236 VanDerWaalsContact CB-CD1 3.42Å
176	A	98.9	Very high	98.8	Very high	3 Å²	3	6.8 Å²	6.8	3%	0.025	3%	0.029	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	105.8	176.6	0	0	0	0	0	110.9	L81 R82 Y84 F149 R157	L81-A176 CarbonylContact C-O 3.57Å; L81-A176 WeakPolarHBondContact CA-O 3.49Å; L81-A176 WeakPolarHBondContact CB-O 3.46Å; R82-A176 HydrophobicContact CB-CB 4.45Å; R82-A176 PolarHBondContact N-O 3.43Å; R82-A176 PolarHBondContact O-N 3.29Å; Y84-A176 HydrophobicContact CE2-CB 4.31Å; F149-A176 HydrophobicContact CB-CB 4.19Å; R157-A176 WeakPolarHBondContact CB-O 3.4Å; R157-A176 WeakPolarHBondContact O-CB 3.29Å
177	V	98.9	Very high	98.8	Very high	1 Å²	1	6.7 Å²	6.7	1%	0.006	3%	0.028	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	136.6	-175	179.2	0	0	0	0	110.6	F80 V148 F149 H151 A175 E228 A232	F80-V177 WeakPolarHBondContact O-CA 3.36Å; V148-V177 HydrophobicContact CG1-CG2 3.78Å; F149-V177 PolarHBondContact O-N 3.06Å; H151-V177 PolarHBondContact CD2-O 3.34Å; A175-V177 PolarHBondContact O-N 2.88Å; V177-E228 HydrophobicContact CG1-CB 4.32Å; V177-A232 HydrophobicContact CG2-CB 3.67Å
178	E	98.9	Very high	98.8	Very high	0 Å²	0	7 Å²	7	0%	0	3%	0.03	C	C	.	.	P	Polyproline II helix	trans	-93.6	116.6	164	-158.3	161.6	102	0	0	110	F80 Y103 F156 R157 R180 T187	F80-E178 HydrophobicContact CB-CB 3.79Å; F80-E178 HydrophobicContact CD1-CB 3.94Å; F80-E178 HydrophobicContact CD1-CG 4.4Å; F80-E178 WeakPolarHBondContact CD1-OE1 3.23Å; F80-E178 WeakPolarHBondContact CE1-OE1 3.47Å; F80-E178 HydrophobicContact CG-CB 4.15Å; F80-E178 PolarHBondContact O-N 2.82Å; Y103-E178 PolarHBondContact OH-OE1 2.79Å; Y103-E178 PolarHBondContact OH-OE2 3Å; F156-E178 HydrophobicContact CB-CG 4.22Å; R157-E178 HydrophobicContact CB-CB 3.97Å; R157-E178 HydrophobicContact CB-CG 4.49Å; R157-E178 HydrophobicContact CG-CB 4.37Å; R157-E178 WeakPolarHBondContact CG-OE2 3.26Å; R157-E178 IonicContact CZ-OE2 3.18Å; R157-E178 PolarHBondContact N-OE2 3.47Å; R157-E178 IonicContact NH1-OE1 3.58Å; R157-E178 IonicContact NH1-OE2 2.75Å; R157-E178 PolarHBondContact NH1-OE2 2.99Å; E178-R180 WeakPolarHBondContact O-CD 3.48Å; E178-R180 PolarHBondContact O-NE 2.82Å; E178-R180 PolarHBondContact O-NH1 2.86Å; E178-T187 WeakPolarHBondContact CG-OG1 3.38Å; E178-T187 VanDerWaalsContact OE1-CA 3.25Å; E178-T187 WeakPolarHBondContact OE1-CA 3.31Å; E178-T187 WeakPolarHBondContact OE1-CB 3.38Å; E178-T187 PolarHBondContact OE1-OG1 3.32Å
179	H	98.9	Very high	98.8	Very high	0 Å²	0	9 Å²	9	0%	0	4%	0.037	C	C	.	.	P	Polyproline II helix	trans	-80.8	140.6	-174	-68.6	-70.2	0	0	0	112.9	S150 H151 D181 R225 E228	S150-H179 PolarHBondContact OG-NE2 3.41Å; H151-H179 AromaticContact CD2-CD2 3.67Å; H151-H179 AromaticContact CE1-CD2 3.91Å; H151-H179 AromaticContact NE2-CD2 3.5Å; H151-H179 AromaticContact NE2-CG 3.93Å; H151-H179 PolarHBondContact NE2-N 3.24Å; H151-H179 VanDerWaalsContact NE2-N 3.14Å; H179-D181 WeakPolarHBondContact CB-OD1 3.42Å; H179-R225 HydrophobicContact CB-CG 4.24Å; H179-R225 PolarHBondContact CD2-NH2 3.15Å; H179-R225 PolarHBondContact NE2-NH2 2.93Å; H179-E228 VanDerWaalsContact CA-OE2 3.22Å; H179-E228 WeakPolarHBondContact CA-OE2 3.48Å; H179-E228 VanDerWaalsContact CB-OE2 3.32Å; H179-E228 WeakPolarHBondContact CB-OE2 3.13Å; H179-E228 IonicContact CE1-OE2 3.64Å; H179-E228 IonicContact CG-OE2 3.77Å; H179-E228 IonicContact ND1-OE2 2.87Å; H179-E228 PolarHBondContact ND1-OE2 3.02Å
180	R	98.8	Very high	98.8	Very high	14 Å²	14	9.1 Å²	9.1	5%	0.053	4%	0.037	C	C	.	.			trans	-106.4	13.1	-176.7	-81.7	51.2	158	-79.4	-25	112.4	G78 F80 E178 R182 T187 Q224 E228	G78-R180 PolarHBondContact O-NH1 3.1Å; F80-R180 VanDerWaalsContact CB-NH2 3.27Å; F80-R180 VanDerWaalsContact N-NH1 3.11Å; E178-R180 WeakPolarHBondContact O-CD 3.48Å; E178-R180 PolarHBondContact O-NE 2.82Å; E178-R180 PolarHBondContact O-NH1 2.86Å; R180-R182 PolarHBondContact O-N 3.29Å; R180-T187 HydrophobicContact CG-CG2 4.24Å; R180-Q224 PolarHBondContact O-NE2 3.32Å; R180-E228 WeakPolarHBondContact CB-OE1 3.46Å; R180-E228 PolarHBondContact N-OE1 3.4Å; R180-E228 PolarHBondContact N-OE2 3Å
181	D	98.6	Very high	98.7	Very high	7 Å²	7	15.6 Å²	15.6	4%	0.037	7%	0.066	C	C	.	.	S	Bend	trans	-77.1	3	178.5	75.3	-30.4	0	0	0	113.6	H179 S183 Q221 Q224 R225	H179-D181 WeakPolarHBondContact CB-OD1 3.42Å; D181-S183 VanDerWaalsContact C-N 3.27Å; D181-S183 PolarHBondContact O-N 3.03Å; D181-S183 WeakPolarHBondContact OD1-CB 3.49Å; D181-S183 PolarHBondContact OD1-N 2.97Å; D181-S183 PolarHBondContact OD1-OG 3.32Å; D181-S183 WeakPolarHBondContact OD2-CB 3.3Å; D181-S183 PolarHBondContact OD2-OG 3.44Å; D181-Q221 HydrophobicContact CB-CB 4.28Å; D181-Q221 HydrophobicContact CB-CG 4.06Å; D181-Q221 WeakPolarHBondContact O-CG 3.5Å; D181-Q221 PolarHBondContact O-NE2 3.43Å; D181-Q221 WeakPolarHBondContact OD2-CB 3.47Å; D181-Q224 HydrophobicContact CB-CB 4.2Å; D181-Q224 HydrophobicContact CB-CG 4.02Å; D181-R225 HydrophobicContact CB-CG 4.23Å; D181-R225 WeakPolarHBondContact OD2-CD 3.34Å; D181-R225 WeakPolarHBondContact OD2-CG 3.47Å; D181-R225 IonicContact OD2-NE 3.65Å
182	R	98.5	Very high	98.6	Very high	93 Å²	93	19.6 Å²	19.6	35%	0.351	9%	0.087	S	C	.	.	S	Bend	trans	67.9	21.6	-174.1	-49.7	-77.2	-66	-147.3	-6.2	113.5	R180 Y205 L206 R207	R180-R182 PolarHBondContact O-N 3.29Å; R182-Y205 PolarHBondContact NE-O 2.93Å; R182-Y205 PolarHBondContact NH2-O 2.75Å; R182-L206 WeakPolarHBondContact O-CA 3.14Å; R182-L206 WeakPolarHBondContact O-CD1 3.41Å; R182-R207 HydrophobicContact CB-CB 3.88Å; R182-R207 PolarHBondContact O-N 3.29Å; R182-R207 VanDerWaalsContact O-N 3.07Å
183	S	98.6	Very high	98.4	Very high	0 Å²	0	23 Å²	23	0%	0	10%	0.103	C	C	.	.			trans	-86.9	-26.3	166.9	70.3	0	0	0	0	112.9	G154 D181 L206	G154-S183 PolarHBondContact N-O 3.32Å; D181-S183 VanDerWaalsContact C-N 3.27Å; D181-S183 PolarHBondContact O-N 3.03Å; D181-S183 WeakPolarHBondContact OD1-CB 3.49Å; D181-S183 PolarHBondContact OD1-N 2.97Å; D181-S183 PolarHBondContact OD1-OG 3.32Å; D181-S183 WeakPolarHBondContact OD2-CB 3.3Å; D181-S183 PolarHBondContact OD2-OG 3.44Å; S183-L206 WeakPolarHBondContact O-CD1 3.39Å
184	A	98.7	Very high	98.3	Very high	1 Å²	1	26.7 Å²	26.7	1%	0.008	13%	0.128	C	C	.	.	S	Bend	trans	-65.1	144.1	175.2	0	0	0	0	0	111.2	A155 A186 L206	A155-A184 WeakPolarHBondContact O-CA 3.47Å; A155-A184 WeakPolarHBondContact O-CB 3.23Å; A184-A186 PolarHBondContact O-N 2.82Å; A184-L206 WeakPolarHBondContact O-CA 3.28Å; A184-L206 WeakPolarHBondContact O-CB 3.37Å; A184-L206 PolarHBondContact O-N 2.83Å; A184-L206 VanDerWaalsContact O-N 3.17Å
185	S	98.6	Very high	98.2	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	13%	0.132	C	C	.	.	S	Bend	trans	-54.1	-46.9	174.4	-98.3	0	0	0	0	111.2	G106 Y110 G154 A155 L206	G106-S185 WeakPolarHBondContact CA-O 3.04Å; G106-S185 PolarHBondContact O-OG 2.92Å; Y110-S185 WeakPolarHBondContact CB-OG 3.31Å; G154-S185 WeakPolarHBondContact O-CB 2.97Å; G154-S185 PolarHBondContact O-OG 3.01Å; A155-S185 PolarHBondContact O-N 2.76Å; A155-S185 VanDerWaalsContact O-N 3.15Å; S185-L206 PolarHBondContact O-N 2.85Å; S185-L206 VanDerWaalsContact O-N 3.09Å
186	A	98.8	Very high	98.1	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	154.6	166	0	0	0	0	0	109	E102 Y103 A184 W203 L204 Y205	E102-A186 WeakPolarHBondContact O-CB 3.32Å; Y103-A186 HydrophobicContact CD1-CB 4.07Å; Y103-A186 WeakPolarHBondContact CE1-O 3.45Å; A184-A186 PolarHBondContact O-N 2.82Å; A186-W203 HydrophobicContact CB-CE3 3.92Å; A186-W203 HydrophobicContact CB-CZ3 4.01Å; A186-L204 CarbonylContact C-O 3.49Å; A186-L204 VanDerWaalsContact CA-O 3.3Å; A186-L204 WeakPolarHBondContact CA-O 3.37Å; A186-Y205 HydrophobicContact CB-CD1 3.85Å; A186-Y205 HydrophobicContact CB-CE1 3.95Å
187	T	98.9	Very high	97.9	Very high	2 Å²	2	33.5 Å²	33.5	1%	0.012	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.2	167.5	166.2	-174.1	0	0	0	0	108.4	E178 R180 W203 L204	E178-T187 WeakPolarHBondContact CG-OG1 3.38Å; E178-T187 VanDerWaalsContact OE1-CA 3.25Å; E178-T187 WeakPolarHBondContact OE1-CA 3.31Å; E178-T187 WeakPolarHBondContact OE1-CB 3.38Å; E178-T187 PolarHBondContact OE1-OG1 3.32Å; R180-T187 HydrophobicContact CG-CG2 4.24Å; T187-W203 CarbonylContact O-C 3.58Å; T187-W203 WeakPolarHBondContact O-CA 3.44Å; T187-L204 HydrophobicContact CG2-CB 3.9Å; T187-L204 HydrophobicContact CG2-CD1 4.33Å; T187-L204 PolarHBondContact N-O 2.76Å; T187-L204 PolarHBondContact O-N 3.28Å
188	Y	98.9	Very high	97.8	Very high	9 Å²	9	39.8 Å²	39.8	4%	0.035	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	165	177.6	71	-88.7	0	0	0	113.1	M71 F80 Y103 F190 K201 S202 W203 L249	M71-Y188 HydrophobicContact CE-CD2 3.87Å; M71-Y188 HydrophobicContact CE-CE2 3.55Å; M71-Y188 WeakPolarHBondContact CE-O 3.04Å; F80-Y188 AromaticContact CE1-CD1 3.89Å; F80-Y188 HydrophobicContact CE1-CD1 3.89Å; F80-Y188 AromaticContact CE1-CE1 3.47Å; F80-Y188 HydrophobicContact CE1-CE1 3.47Å; F80-Y188 VanDerWaalsContact CE1-CE1 3.47Å; F80-Y188 HydrophobicContact CE1-CE2 4.29Å; F80-Y188 HydrophobicContact CE1-CG 4.47Å; F80-Y188 AromaticContact CE1-CZ 3.7Å; F80-Y188 HydrophobicContact CZ-CD1 4.42Å; F80-Y188 AromaticContact CZ-CE1 3.55Å; F80-Y188 HydrophobicContact CZ-CE1 3.55Å; F80-Y188 HydrophobicContact CZ-CE2 4.26Å; F80-Y188 AromaticContact CZ-CZ 3.46Å; F80-Y188 VanDerWaalsContact CZ-CZ 3.46Å; F80-Y188 WeakPolarHBondContact CZ-OH 3.34Å; Y103-Y188 WeakPolarHBondContact OH-CE1 3.35Å; Y188-F190 HydrophobicContact CD2-CZ 4.47Å; Y188-F190 HydrophobicContact CE2-CE2 4.29Å; Y188-F190 HydrophobicContact CE2-CZ 4.02Å; Y188-K201 HydrophobicContact CD1-CD 4.09Å; Y188-K201 HydrophobicContact CD2-CB 3.9Å; Y188-K201 HydrophobicContact CD2-CD 3.69Å; Y188-K201 HydrophobicContact CD2-CG 3.61Å; Y188-K201 HydrophobicContact CE1-CD 4.09Å; Y188-K201 HydrophobicContact CE2-CD 3.7Å; Y188-K201 HydrophobicContact CE2-CG 3.84Å; Y188-K201 HydrophobicContact CG-CB 4.14Å; Y188-K201 HydrophobicContact CG-CD 3.88Å; Y188-K201 HydrophobicContact CG-CG 4.15Å; Y188-S202 VanDerWaalsContact CA-O 3.29Å; Y188-S202 WeakPolarHBondContact CA-O 3.49Å; Y188-W203 HydrophobicContact CD1-CE3 4.4Å; Y188-W203 AromaticContact CD1-CH2 3.57Å; Y188-W203 HydrophobicContact CD1-CH2 3.57Å; Y188-W203 AromaticContact CD1-CZ2 4Å; Y188-W203 HydrophobicContact CD1-CZ2 4Å; Y188-W203 AromaticContact CD1-CZ3 3.82Å; Y188-W203 HydrophobicContact CD1-CZ3 3.82Å; Y188-W203 HydrophobicContact CE1-CH2 4.24Å; Y188-W203 HydrophobicContact CG-CH2 4.33Å; Y188-W203 HydrophobicContact CG-CZ2 4.39Å; Y188-W203 HydrophobicContact CG-CZ3 4.47Å; Y188-L249 HydrophobicContact CE2-CD2 4.19Å; Y188-L249 WeakPolarHBondContact OH-CD2 3.37Å
189	Y	98.8	Very high	97.6	Very high	40 Å²	40	41.5 Å²	41.5	16%	0.157	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	176.3	172.9	69.4	-74.5	0	0	0	108.7	K76 K191 S202 L204	K76-Y189 HydrophobicContact CB-CD1 4Å; K76-Y189 HydrophobicContact CB-CD2 3.94Å; K76-Y189 HydrophobicContact CB-CE1 4.28Å; K76-Y189 HydrophobicContact CB-CE2 4.21Å; K76-Y189 HydrophobicContact CB-CG 3.84Å; Y189-K191 HydrophobicContact CE2-CG 4.16Å; Y189-S202 VanDerWaalsContact CD1-O 3.3Å; Y189-S202 WeakPolarHBondContact CD1-O 3.39Å; Y189-S202 PolarHBondContact N-O 3.31Å; Y189-S202 VanDerWaalsContact N-O 3.1Å; Y189-S202 PolarHBondContact O-N 2.95Å; Y189-L204 HydrophobicContact CD1-CD1 3.96Å; Y189-L204 HydrophobicContact CD1-CG 4.1Å; Y189-L204 HydrophobicContact CE1-CD1 3.93Å; Y189-L204 HydrophobicContact CE1-CD2 3.97Å; Y189-L204 HydrophobicContact CE1-CG 3.82Å
190	F	98.6	Very high	97.6	Very high	5 Å²	5	48.2 Å²	48.2	2%	0.022	24%	0.242	C	C	.	.			trans	-109.1	138.3	172.4	-54.3	-76.9	0	0	0	110.2	M71 H74 Y188 N192 A195 A196 K201 A248 L249	M71-F190 HydrophobicContact SD-CD2 3.82Å; M71-F190 HydrophobicContact SD-CE2 3.76Å; H74-F190 HydrophobicContact CB-CB 4.15Å; H74-F190 HydrophobicContact CB-CD2 4.06Å; H74-F190 PolarHBondContact CD2-O 2.87Å; H74-F190 PolarHBondContact O-N 3.38Å; H74-F190 VanDerWaalsContact O-O 3.11Å; Y188-F190 HydrophobicContact CD2-CZ 4.47Å; Y188-F190 HydrophobicContact CE2-CE2 4.29Å; Y188-F190 HydrophobicContact CE2-CZ 4.02Å; F190-N192 VanDerWaalsContact C-N 3.27Å; F190-N192 PolarHBondContact O-N 2.88Å; F190-A195 HydrophobicContact CB-CB 4.31Å; F190-A195 WeakPolarHBondContact CD1-O 3.23Å; F190-A196 HydrophobicContact CB-CB 3.91Å; F190-A196 HydrophobicContact CD1-CB 4.19Å; F190-A196 HydrophobicContact CD2-CB 3.66Å; F190-A196 HydrophobicContact CE2-CB 4.17Å; F190-A196 HydrophobicContact CG-CB 3.65Å; F190-K201 HydrophobicContact CE1-CG 3.94Å; F190-K201 HydrophobicContact CZ-CG 4.38Å; F190-A248 HydrophobicContact CD2-CB 4.19Å; F190-A248 HydrophobicContact CE2-CB 4.16Å; F190-L249 HydrophobicContact CE2-CD2 4.07Å; F190-L249 HydrophobicContact CZ-CD2 4.22Å
191	K	97.3	Very high	97.6	Very high	151 Å²	151	51 Å²	51	66%	0.657	26%	0.255	S	S	*	.	S	Bend	trans	-70.5	-25.6	-178.2	-76.4	-179.3	179.5	-174.4	0	113.2	Y189 S202	Y189-K191 HydrophobicContact CE2-CG 4.16Å; K191-S202 WeakPolarHBondContact CE-OG 3.46Å; K191-S202 WeakPolarHBondContact CG-OG 3.43Å
192	N	96.5	Very high	97.6	Very high	84 Å²	84	51.7 Å²	51.7	45%	0.449	26%	0.26	S	S	.	.	S	Bend	trans	-160.7	172.4	179.2	53.6	37.7	0	0	0	109.4	H74 F190 S194 A195 A196	H74-N192 WeakPolarHBondContact NE2-CA 3.29Å; F190-N192 VanDerWaalsContact C-N 3.27Å; F190-N192 PolarHBondContact O-N 2.88Å; N192-S194 PolarHBondContact O-N 2.98Å; N192-A195 WeakPolarHBondContact O-CB 3.46Å; N192-A195 PolarHBondContact O-N 3.11Å; N192-A195 VanDerWaalsContact OD1-CB 3.22Å; N192-A195 WeakPolarHBondContact OD1-CB 3.5Å; N192-A195 PolarHBondContact OD1-N 2.92Å; N192-A196 PolarHBondContact O-N 3.37Å
193	Q	94.8	Very high	97.6	Very high	74 Å²	74	49.6 Å²	49.6	35%	0.346	25%	0.252	S	S	.	.	H	α-helix	trans	-59.8	-42.8	-178.9	-176	58.1	32.4	0	0	112.6	H74 A195 A196 E197	H74-Q193 PolarHBondContact ND1-OE1 3.38Å; H74-Q193 PolarHBondContact NE2-N 2.87Å; Q193-A195 VanDerWaalsContact C-N 3.29Å; Q193-A195 PolarHBondContact O-N 2.95Å; Q193-A196 WeakPolarHBondContact O-CA 3.36Å; Q193-A196 WeakPolarHBondContact O-CB 3.39Å; Q193-A196 PolarHBondContact O-N 2.88Å; Q193-E197 WeakPolarHBondContact CG-OE1 3.48Å; Q193-E197 PolarHBondContact NE2-OE1 2.76Å; Q193-E197 PolarHBondContact O-N 3.48Å
194	S	96.5	Very high	97.6	Very high	76 Å²	76	50.8 Å²	50.8	53%	0.531	26%	0.259	S	S	.	.	H	α-helix	trans	-62.1	-35.5	177.8	-48.7	0	0	0	0	112.7	N192 A196 E197 I198	N192-S194 PolarHBondContact O-N 2.98Å; S194-A196 VanDerWaalsContact C-N 3.32Å; S194-E197 PolarHBondContact O-N 2.75Å; S194-I198 WeakPolarHBondContact O-CG1 3.33Å; S194-I198 PolarHBondContact O-N 2.92Å
195	A	96.9	Very high	97.5	Very high	10 Å²	10	53.7 Å²	53.7	8%	0.083	27%	0.27	C	S	.	.	H	α-helix	trans	-67.8	-31.8	173.6	0	0	0	0	0	112.4	F190 N192 Q193 G199 K200	F190-A195 HydrophobicContact CB-CB 4.31Å; F190-A195 WeakPolarHBondContact CD1-O 3.23Å; N192-A195 WeakPolarHBondContact O-CB 3.46Å; N192-A195 PolarHBondContact O-N 3.11Å; N192-A195 VanDerWaalsContact OD1-CB 3.22Å; N192-A195 WeakPolarHBondContact OD1-CB 3.5Å; N192-A195 PolarHBondContact OD1-N 2.92Å; Q193-A195 VanDerWaalsContact C-N 3.29Å; Q193-A195 PolarHBondContact O-N 2.95Å; A195-G199 CarbonylContact O-C 3.55Å; A195-G199 PolarHBondContact O-N 3.01Å; A195-K200 HydrophobicContact CB-CB 4.2Å; A195-K200 PolarHBondContact O-N 2.93Å
196	A	96.1	Very high	97.5	Very high	11 Å²	11	54.2 Å²	54.2	9%	0.091	27%	0.273	C	S	.	.	H	α-helix	trans	-67.4	-45.7	173.8	0	0	0	0	0	111.3	H74 F190 N192 Q193 S194 I198 G199	H74-A196 HydrophobicContact CB-CB 4.25Å; F190-A196 HydrophobicContact CB-CB 3.91Å; F190-A196 HydrophobicContact CD1-CB 4.19Å; F190-A196 HydrophobicContact CD2-CB 3.66Å; F190-A196 HydrophobicContact CE2-CB 4.17Å; F190-A196 HydrophobicContact CG-CB 3.65Å; N192-A196 PolarHBondContact O-N 3.37Å; Q193-A196 WeakPolarHBondContact O-CA 3.36Å; Q193-A196 WeakPolarHBondContact O-CB 3.39Å; Q193-A196 PolarHBondContact O-N 2.88Å; S194-A196 VanDerWaalsContact C-N 3.32Å; A196-I198 VanDerWaalsContact C-N 3.32Å; A196-I198 PolarHBondContact O-N 3.29Å; A196-G199 PolarHBondContact O-N 3.49Å
197	E	95.4	Very high	97.3	Very high	125 Å²	125	59.3 Å²	59.3	58%	0.584	29%	0.292	S	S	*	.	H	α-helix	trans	-60.1	-36.9	-178.8	-73.1	163.7	-174.4	0	0	113.5	Q193 S194	Q193-E197 WeakPolarHBondContact CG-OE1 3.48Å; Q193-E197 PolarHBondContact NE2-OE1 2.76Å; Q193-E197 PolarHBondContact O-N 3.48Å; S194-E197 PolarHBondContact O-N 2.75Å
198	I	96.3	Very high	97	Very high	133 Å²	133	64.4 Å²	64.4	68%	0.682	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.5	5.1	176.1	71.2	176.3	0	0	0	113.3	S194 A196 K200	S194-I198 WeakPolarHBondContact O-CG1 3.33Å; S194-I198 PolarHBondContact O-N 2.92Å; A196-I198 VanDerWaalsContact C-N 3.32Å; A196-I198 PolarHBondContact O-N 3.29Å; I198-K200 VanDerWaalsContact C-N 3.31Å; I198-K200 HydrophobicContact CD1-CB 3.99Å; I198-K200 HydrophobicContact CD1-CD 4.33Å; I198-K200 HydrophobicContact CG1-CB 3.82Å; I198-K200 PolarHBondContact O-N 3.11Å
199	G	95.9	Very high	96.7	Very high	36 Å²	36	65.3 Å²	65.3	37%	0.371	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	66.5	24	-179.7	0	0	0	0	0	115.4	A195 A196 K201	A195-G199 CarbonylContact O-C 3.55Å; A195-G199 PolarHBondContact O-N 3.01Å; A196-G199 PolarHBondContact O-N 3.49Å; G199-K201 PolarHBondContact O-N 2.99Å
200	K	97.7	Very high	96.3	Very high	141 Å²	141	69.6 Å²	69.6	61%	0.613	35%	0.348	S	S	*	.			trans	-78.7	82.5	179.9	-173.6	175.5	-179.2	174.3	0	111.7	A195 I198	A195-K200 HydrophobicContact CB-CB 4.2Å; A195-K200 PolarHBondContact O-N 2.93Å; I198-K200 VanDerWaalsContact C-N 3.31Å; I198-K200 HydrophobicContact CD1-CB 3.99Å; I198-K200 HydrophobicContact CD1-CD 4.33Å; I198-K200 HydrophobicContact CG1-CB 3.82Å; I198-K200 PolarHBondContact O-N 3.11Å
201	K	98.5	Very high	95.8	Very high	73 Å²	73	77.8 Å²	77.8	32%	0.317	39%	0.386	S	S	.	.			trans	-63.5	137.1	179.9	-57.3	-177.6	-178.6	82.7	0	112.2	N100 Y188 F190 G199 W203	N100-K201 WeakPolarHBondContact OD1-CE 3.3Å; N100-K201 PolarHBondContact OD1-NZ 2.92Å; Y188-K201 HydrophobicContact CD1-CD 4.09Å; Y188-K201 HydrophobicContact CD2-CB 3.9Å; Y188-K201 HydrophobicContact CD2-CD 3.69Å; Y188-K201 HydrophobicContact CD2-CG 3.61Å; Y188-K201 HydrophobicContact CE1-CD 4.09Å; Y188-K201 HydrophobicContact CE2-CD 3.7Å; Y188-K201 HydrophobicContact CE2-CG 3.84Å; Y188-K201 HydrophobicContact CG-CB 4.14Å; Y188-K201 HydrophobicContact CG-CD 3.88Å; Y188-K201 HydrophobicContact CG-CG 4.15Å; F190-K201 HydrophobicContact CE1-CG 3.94Å; F190-K201 HydrophobicContact CZ-CG 4.38Å; G199-K201 PolarHBondContact O-N 2.99Å; K201-W203 HydrophobicContact CD-CZ2 3.83Å
202	S	98.5	Very high	95.4	Very high	22 Å²	22	77.9 Å²	77.9	15%	0.154	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	114.9	167.2	-69.7	0	0	0	0	109.9	Y188 Y189 K191	Y188-S202 VanDerWaalsContact CA-O 3.29Å; Y188-S202 WeakPolarHBondContact CA-O 3.49Å; Y189-S202 VanDerWaalsContact CD1-O 3.3Å; Y189-S202 WeakPolarHBondContact CD1-O 3.39Å; Y189-S202 PolarHBondContact N-O 3.31Å; Y189-S202 VanDerWaalsContact N-O 3.1Å; Y189-S202 PolarHBondContact O-N 2.95Å; K191-S202 WeakPolarHBondContact CE-OG 3.46Å; K191-S202 WeakPolarHBondContact CG-OG 3.43Å
203	W	98.6	Very high	95.1	Very high	48 Å²	48	77.2 Å²	77.2	18%	0.182	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	141	-172.2	-69.2	92.6	0	0	0	113.2	N100 E102 Y103 A186 T187 Y188 K201 Y205	N100-W203 HydrophobicContact CB-CH2 3.62Å; N100-W203 HydrophobicContact CB-CZ2 3.78Å; E102-W203 HydrophobicContact CB-CD2 3.46Å; E102-W203 VanDerWaalsContact CB-CD2 3.46Å; E102-W203 VanDerWaalsContact CB-CE2 3.47Å; E102-W203 HydrophobicContact CB-CE3 3.54Å; E102-W203 HydrophobicContact CB-CG 4.16Å; E102-W203 HydrophobicContact CB-CH2 3.7Å; E102-W203 HydrophobicContact CB-CZ2 3.6Å; E102-W203 HydrophobicContact CB-CZ3 3.66Å; E102-W203 VanDerWaalsContact CD-CE2 3.45Å; E102-W203 VanDerWaalsContact CD-NE1 3.34Å; E102-W203 HydrophobicContact CG-CD2 3.67Å; E102-W203 HydrophobicContact CG-CE3 4.28Å; E102-W203 HydrophobicContact CG-CG 3.96Å; E102-W203 HydrophobicContact CG-CH2 4.43Å; E102-W203 HydrophobicContact CG-CZ2 3.82Å; E102-W203 PolarHBondContact OE1-NE1 3.13Å; E102-W203 VanDerWaalsContact OE2-CZ2 3.24Å; E102-W203 WeakPolarHBondContact OE2-CZ2 3.48Å; Y103-W203 HydrophobicContact CD1-CZ3 4.35Å; Y103-W203 HydrophobicContact CD2-CH2 4.01Å; Y103-W203 HydrophobicContact CD2-CZ3 4.25Å; Y103-W203 HydrophobicContact CE1-CZ3 4.09Å; Y103-W203 AromaticContact CE2-CH2 3.67Å; Y103-W203 HydrophobicContact CE2-CH2 3.67Å; Y103-W203 AromaticContact CE2-CZ3 3.95Å; Y103-W203 HydrophobicContact CE2-CZ3 3.95Å; Y103-W203 HydrophobicContact CG-CZ3 4.41Å; Y103-W203 AromaticContact CZ-CH2 3.99Å; Y103-W203 AromaticContact CZ-CZ3 3.84Å; A186-W203 HydrophobicContact CB-CE3 3.92Å; A186-W203 HydrophobicContact CB-CZ3 4.01Å; T187-W203 CarbonylContact O-C 3.58Å; T187-W203 WeakPolarHBondContact O-CA 3.44Å; Y188-W203 HydrophobicContact CD1-CE3 4.4Å; Y188-W203 AromaticContact CD1-CH2 3.57Å; Y188-W203 HydrophobicContact CD1-CH2 3.57Å; Y188-W203 AromaticContact CD1-CZ2 4Å; Y188-W203 HydrophobicContact CD1-CZ2 4Å; Y188-W203 AromaticContact CD1-CZ3 3.82Å; Y188-W203 HydrophobicContact CD1-CZ3 3.82Å; Y188-W203 HydrophobicContact CE1-CH2 4.24Å; Y188-W203 HydrophobicContact CG-CH2 4.33Å; Y188-W203 HydrophobicContact CG-CZ2 4.39Å; Y188-W203 HydrophobicContact CG-CZ3 4.47Å; K201-W203 HydrophobicContact CD-CZ2 3.83Å; W203-Y205 HydrophobicContact CB-CE2 3.97Å
204	L	98.3	Very high	95	Very high	26 Å²	26	76.4 Å²	76.4	14%	0.136	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	125.6	170.1	-60.6	173.2	0	0	0	107.6	A186 T187 Y189	A186-L204 CarbonylContact C-O 3.49Å; A186-L204 VanDerWaalsContact CA-O 3.3Å; A186-L204 WeakPolarHBondContact CA-O 3.37Å; T187-L204 HydrophobicContact CG2-CB 3.9Å; T187-L204 HydrophobicContact CG2-CD1 4.33Å; T187-L204 PolarHBondContact N-O 2.76Å; T187-L204 PolarHBondContact O-N 3.28Å; Y189-L204 HydrophobicContact CD1-CD1 3.96Å; Y189-L204 HydrophobicContact CD1-CG 4.1Å; Y189-L204 HydrophobicContact CE1-CD1 3.93Å; Y189-L204 HydrophobicContact CE1-CD2 3.97Å; Y189-L204 HydrophobicContact CE1-CG 3.82Å
205	Y	98.4	Very high	94.8	Very high	62 Å²	62	78.6 Å²	78.6	24%	0.243	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	158.1	178.6	-65.2	-82.3	0	0	0	111.4	E102 W105 R182 A186 W203 R207	E102-Y205 HydrophobicContact CB-CE1 4.47Å; W105-Y205 HydrophobicContact CB-CE1 4.43Å; R182-Y205 PolarHBondContact NE-O 2.93Å; R182-Y205 PolarHBondContact NH2-O 2.75Å; A186-Y205 HydrophobicContact CB-CD1 3.85Å; A186-Y205 HydrophobicContact CB-CE1 3.95Å; W203-Y205 HydrophobicContact CB-CE2 3.97Å; Y205-R207 PolarHBondContact O-N 3.22Å
206	L	97.6	Very high	94.7	Very high	11 Å²	11	83.6 Å²	83.6	6%	0.058	41%	0.405	C	S	.	.			trans	-42	133.1	171.8	-179.8	77.5	0	0	0	111.9	K109 Y110 L153 R182 S183 A184 S185	K109-L206 PolarHBondContact NZ-O 2.69Å; Y110-L206 HydrophobicContact CD2-CD2 3.57Å; Y110-L206 HydrophobicContact CG-CD2 4.21Å; L153-L206 HydrophobicContact CD1-CD1 3.69Å; R182-L206 WeakPolarHBondContact O-CA 3.14Å; R182-L206 WeakPolarHBondContact O-CD1 3.41Å; S183-L206 WeakPolarHBondContact O-CD1 3.39Å; A184-L206 WeakPolarHBondContact O-CA 3.28Å; A184-L206 WeakPolarHBondContact O-CB 3.37Å; A184-L206 PolarHBondContact O-N 2.83Å; A184-L206 VanDerWaalsContact O-N 3.17Å; S185-L206 PolarHBondContact O-N 2.85Å; S185-L206 VanDerWaalsContact O-N 3.09Å
207	R	95.7	Very high	94.8	Very high	106 Å²	106	84.3 Å²	84.3	40%	0.4	41%	0.407	S	S	.	.			trans	-89	117.3	169.7	-177.5	-179.4	169.3	172.9	-6	109	R182 Y205 L209 E213	R182-R207 HydrophobicContact CB-CB 3.88Å; R182-R207 PolarHBondContact O-N 3.29Å; R182-R207 VanDerWaalsContact O-N 3.07Å; Y205-R207 PolarHBondContact O-N 3.22Å; R207-L209 HydrophobicContact CG-CD2 3.81Å; R207-E213 IonicContact NH2-OE2 2.79Å; R207-E213 PolarHBondContact NH2-OE2 2.86Å
208	T	91.9	Very high	94.9	Very high	110 Å²	110	79 Å²	79	68%	0.675	38%	0.382	S	S	*	.			trans	-71.9	133.8	166.5	-49.2	0	0	0	0	108.5
209	L	92.5	Very high	95	Very high	27 Å²	27	74 Å²	74	14%	0.141	36%	0.357	C	S	.	.			trans	-108.8	149.2	-178.9	-55.5	179.3	0	0	0	109.4	R207 I217 R218	R207-L209 HydrophobicContact CG-CD2 3.81Å; L209-I217 HydrophobicContact CD1-CB 3.89Å; L209-I217 HydrophobicContact CD1-CG2 3.71Å; L209-I217 HydrophobicContact CD2-CB 4.2Å; L209-I217 HydrophobicContact CD2-CG1 4.44Å; L209-I217 HydrophobicContact CD2-CG2 3.68Å; L209-I217 HydrophobicContact CG-CG2 4.36Å; L209-R218 HydrophobicContact CD1-CG 4.34Å
210	K	91.2	Very high	95.1	Very high	130 Å²	130	77.8 Å²	77.8	57%	0.565	36%	0.363	S	S	*	.			trans	-79.5	153.1	164.1	-61.1	-180	-179.3	179.9	0	108.8	E212 E213 E214	K210-E212 VanDerWaalsContact C-N 3.28Å; K210-E212 HydrophobicContact CB-CG 3.99Å; K210-E212 WeakPolarHBondContact CD-OE1 3.35Å; K210-E212 IonicContact NZ-OE1 3.56Å; K210-E212 PolarHBondContact O-N 3.32Å; K210-E213 PolarHBondContact O-N 3.21Å; K210-E214 PolarHBondContact O-N 3.29Å
211	E	86.4	Confident	95.2	Very high	177 Å²	177	71.4 Å²	71.4	83%	0.827	34%	0.335	S	S	*	.	H	α-helix	trans	-55.3	-43.6	-178.4	-170.3	172.7	-177.7	0	0	112.2	E213 E214	E211-E213 PolarHBondContact O-N 3.02Å; E211-E214 PolarHBondContact O-N 3.44Å; E211-E214 VanDerWaalsContact O-N 3.13Å
212	E	88.9	Confident	95.2	Very high	154 Å²	154	68 Å²	68	72%	0.72	32%	0.32	S	S	*	.	H	α-helix	trans	-59.3	-27.3	177.5	66.2	-153.8	-173.9	0	0	114.7	K210	K210-E212 VanDerWaalsContact C-N 3.28Å; K210-E212 HydrophobicContact CB-CG 3.99Å; K210-E212 WeakPolarHBondContact CD-OE1 3.35Å; K210-E212 IonicContact NZ-OE1 3.56Å; K210-E212 PolarHBondContact O-N 3.32Å
213	E	91.8	Very high	95.2	Very high	70 Å²	70	71.2 Å²	71.2	33%	0.327	33%	0.329	S	S	.	.	H	α-helix	trans	-95.7	-13.7	-179.7	-61.7	-172.9	160.6	0	0	112.7	R207 K210 E211 I215 H216 I217	R207-E213 IonicContact NH2-OE2 2.79Å; R207-E213 PolarHBondContact NH2-OE2 2.86Å; K210-E213 PolarHBondContact O-N 3.21Å; E211-E213 PolarHBondContact O-N 3.02Å; E213-I215 PolarHBondContact O-N 2.98Å; E213-H216 PolarHBondContact O-N 3.23Å; E213-I217 HydrophobicContact CB-CG1 4.01Å; E213-I217 WeakPolarHBondContact O-CB 3.48Å; E213-I217 WeakPolarHBondContact O-CG1 3.47Å; E213-I217 PolarHBondContact O-N 3Å
214	E	91.1	Very high	95.2	Very high	57 Å²	57	72.5 Å²	72.5	27%	0.266	34%	0.337	S	S	.	.	H	α-helix	trans	-61.2	-54.9	-161	-177.9	163.2	-140.8	0	0	111.9	K210 E211 H216 I217 R218 L300	K210-E214 PolarHBondContact O-N 3.29Å; E211-E214 PolarHBondContact O-N 3.44Å; E211-E214 VanDerWaalsContact O-N 3.13Å; E214-H216 VanDerWaalsContact C-N 3.33Å; E214-H216 PolarHBondContact O-N 3.22Å; E214-I217 PolarHBondContact O-N 3.38Å; E214-R218 HydrophobicContact CG-CG 3.68Å; E214-R218 WeakPolarHBondContact O-CB 3.36Å; E214-R218 WeakPolarHBondContact O-CG 3.41Å; E214-R218 PolarHBondContact O-N 3.41Å; E214-R218 IonicContact OE1-NE 3.6Å; E214-R218 IonicContact OE1-NH2 3.77Å; E214-L300 HydrophobicContact CG-CD2 4.17Å
215	I	92.3	Very high	95.3	Very high	122 Å²	122	71.2 Å²	71.2	63%	0.626	33%	0.33	S	S	*	.	H	α-helix	trans	-56.4	-48	-176.6	-64.3	173.2	0	0	0	111.1	E213 N219	E213-I215 PolarHBondContact O-N 2.98Å; I215-N219 WeakPolarHBondContact O-CB 3.31Å; I215-N219 PolarHBondContact O-N 3.24Å
216	H	95.4	Very high	95.3	Very high	114 Å²	114	68.3 Å²	68.3	53%	0.528	32%	0.319	S	S	.	.	H	α-helix	trans	-65.3	-47.2	-178.3	-178.5	56.5	0	0	0	112.5	E213 E214 N219 K220	E213-H216 PolarHBondContact O-N 3.23Å; E214-H216 VanDerWaalsContact C-N 3.33Å; E214-H216 PolarHBondContact O-N 3.22Å; H216-N219 PolarHBondContact O-N 2.77Å; H216-K220 VanDerWaalsContact CE1-CE 3.4Å; H216-K220 WeakPolarHBondContact CE1-CE 3.26Å; H216-K220 WeakPolarHBondContact NE2-CE 3.13Å; H216-K220 PolarHBondContact NE2-NZ 3.44Å; H216-K220 VanDerWaalsContact NE2-NZ 3.15Å; H216-K220 PolarHBondContact O-N 2.85Å; H216-K220 VanDerWaalsContact O-N 3.07Å
217	I	97.8	Very high	95.3	Very high	26 Å²	26	74.3 Å²	74.3	13%	0.133	35%	0.345	C	S	.	.	H	α-helix	trans	-70.9	-37.7	-178.5	-62.3	-63.2	0	0	0	110.8	L209 E213 E214 N219 K220 Q221	L209-I217 HydrophobicContact CD1-CB 3.89Å; L209-I217 HydrophobicContact CD1-CG2 3.71Å; L209-I217 HydrophobicContact CD2-CB 4.2Å; L209-I217 HydrophobicContact CD2-CG1 4.44Å; L209-I217 HydrophobicContact CD2-CG2 3.68Å; L209-I217 HydrophobicContact CG-CG2 4.36Å; E213-I217 HydrophobicContact CB-CG1 4.01Å; E213-I217 WeakPolarHBondContact O-CB 3.48Å; E213-I217 WeakPolarHBondContact O-CG1 3.47Å; E213-I217 PolarHBondContact O-N 3Å; E214-I217 PolarHBondContact O-N 3.38Å; I217-N219 VanDerWaalsContact C-N 3.32Å; I217-N219 PolarHBondContact O-N 3.47Å; I217-K220 PolarHBondContact O-N 3.21Å; I217-Q221 HydrophobicContact CG2-CG 4.36Å; I217-Q221 WeakPolarHBondContact O-CB 3.22Å; I217-Q221 VanDerWaalsContact O-CG 3.31Å; I217-Q221 WeakPolarHBondContact O-CG 3.45Å; I217-Q221 PolarHBondContact O-N 2.87Å
218	R	98.2	Very high	95.5	Very high	14 Å²	14	70.1 Å²	70.1	5%	0.053	33%	0.329	C	S	.	.	H	α-helix	trans	-62.9	-38.9	175	-67.6	-63.1	178.1	-152.7	5.2	111.6	L153 L209 E214 Q221 V222 W298 L300 P301	L153-R218 VanDerWaalsContact CD1-NH1 3.31Å; L209-R218 HydrophobicContact CD1-CG 4.34Å; E214-R218 HydrophobicContact CG-CG 3.68Å; E214-R218 WeakPolarHBondContact O-CB 3.36Å; E214-R218 WeakPolarHBondContact O-CG 3.41Å; E214-R218 PolarHBondContact O-N 3.41Å; E214-R218 IonicContact OE1-NE 3.6Å; E214-R218 IonicContact OE1-NH2 3.77Å; R218-Q221 WeakPolarHBondContact O-CB 3.41Å; R218-Q221 PolarHBondContact O-N 3.33Å; R218-V222 PolarHBondContact O-N 3.44Å; R218-W298 HydrophobicContact CG-CH2 4.05Å; R218-W298 HydrophobicContact CG-CZ3 4.48Å; R218-L300 HydrophobicContact CB-CD2 4.26Å; R218-L300 HydrophobicContact CG-CD2 4.08Å; R218-P301 HydrophobicContact CB-CB 3.94Å; R218-P301 HydrophobicContact CB-CG 4.13Å
219	N	98.6	Very high	95.8	Very high	29 Å²	29	64.9 Å²	64.9	16%	0.155	30%	0.297	C	S	.	.	H	α-helix	trans	-65.6	-41.9	173.6	-171.9	-101.2	0	0	0	112.8	I215 H216 I217 Q221 V222 R223 P301 G303	I215-N219 WeakPolarHBondContact O-CB 3.31Å; I215-N219 PolarHBondContact O-N 3.24Å; H216-N219 PolarHBondContact O-N 2.77Å; I217-N219 VanDerWaalsContact C-N 3.32Å; I217-N219 PolarHBondContact O-N 3.47Å; N219-Q221 VanDerWaalsContact C-N 3.29Å; N219-Q221 PolarHBondContact O-N 3.04Å; N219-V222 WeakPolarHBondContact O-CG1 3.43Å; N219-V222 PolarHBondContact O-N 3.2Å; N219-R223 WeakPolarHBondContact O-CG 3.23Å; N219-R223 PolarHBondContact O-N 3Å; N219-R223 PolarHBondContact OD1-NE 3.33Å; N219-R223 PolarHBondContact OD1-NH2 3.12Å; N219-P301 WeakPolarHBondContact CA-O 3.13Å; N219-P301 WeakPolarHBondContact CB-O 3.26Å; N219-P301 PolarHBondContact ND2-O 3.08Å; N219-G303 PolarHBondContact ND2-N 2.72Å
220	K	98.5	Very high	96.1	Very high	114 Å²	114	64.4 Å²	64.4	50%	0.496	30%	0.296	S	S	.	.	H	α-helix	trans	-61	-40.7	172.9	-73.7	179.9	174.6	177.5	0	112.2	H216 I217 Q224	H216-K220 VanDerWaalsContact CE1-CE 3.4Å; H216-K220 WeakPolarHBondContact CE1-CE 3.26Å; H216-K220 WeakPolarHBondContact NE2-CE 3.13Å; H216-K220 PolarHBondContact NE2-NZ 3.44Å; H216-K220 VanDerWaalsContact NE2-NZ 3.15Å; H216-K220 PolarHBondContact O-N 2.85Å; H216-K220 VanDerWaalsContact O-N 3.07Å; I217-K220 PolarHBondContact O-N 3.21Å; K220-Q224 PolarHBondContact O-N 3.39Å
221	Q	98.8	Very high	96.5	Very high	8 Å²	8	61 Å²	61	4%	0.037	28%	0.282	C	S	.	.	H	α-helix	trans	-62.2	-50.6	175.7	-78.3	-178.7	-33.5	0	0	111.2	D181 I217 R218 N219 R223 Q224 R225 F274	D181-Q221 HydrophobicContact CB-CB 4.28Å; D181-Q221 HydrophobicContact CB-CG 4.06Å; D181-Q221 WeakPolarHBondContact O-CG 3.5Å; D181-Q221 PolarHBondContact O-NE2 3.43Å; D181-Q221 WeakPolarHBondContact OD2-CB 3.47Å; I217-Q221 HydrophobicContact CG2-CG 4.36Å; I217-Q221 WeakPolarHBondContact O-CB 3.22Å; I217-Q221 VanDerWaalsContact O-CG 3.31Å; I217-Q221 WeakPolarHBondContact O-CG 3.45Å; I217-Q221 PolarHBondContact O-N 2.87Å; R218-Q221 WeakPolarHBondContact O-CB 3.41Å; R218-Q221 PolarHBondContact O-N 3.33Å; N219-Q221 VanDerWaalsContact C-N 3.29Å; N219-Q221 PolarHBondContact O-N 3.04Å; Q221-R223 VanDerWaalsContact C-N 3.28Å; Q221-R223 PolarHBondContact O-N 3.02Å; Q221-Q224 WeakPolarHBondContact O-CA 3.23Å; Q221-Q224 WeakPolarHBondContact O-CB 3.49Å; Q221-Q224 PolarHBondContact O-N 2.89Å; Q221-R225 VanDerWaalsContact O-CG 3.22Å; Q221-R225 WeakPolarHBondContact O-CG 3.43Å; Q221-R225 PolarHBondContact O-N 2.94Å; Q221-F274 HydrophobicContact CB-CE1 4.19Å; Q221-F274 HydrophobicContact CB-CZ 3.66Å
222	V	98.9	Very high	97.1	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-59.9	-37.2	-177.9	83.3	0	0	0	0	112.8	R218 N219 R225 A226 F274 A277 Q281 P301 L302	R218-V222 PolarHBondContact O-N 3.44Å; N219-V222 WeakPolarHBondContact O-CG1 3.43Å; N219-V222 PolarHBondContact O-N 3.2Å; V222-R225 PolarHBondContact O-N 3.23Å; V222-A226 PolarHBondContact O-N 3.43Å; V222-F274 HydrophobicContact CB-CE2 3.87Å; V222-F274 HydrophobicContact CG2-CE2 4.05Å; V222-A277 HydrophobicContact CG2-CB 4.01Å; V222-Q281 HydrophobicContact CG1-CB 4.44Å; V222-Q281 HydrophobicContact CG1-CG 4.15Å; V222-Q281 HydrophobicContact CG2-CB 3.92Å; V222-Q281 HydrophobicContact CG2-CG 4.41Å; V222-P301 HydrophobicContact CB-CB 3.91Å; V222-P301 HydrophobicContact CG1-CB 4.27Å; V222-P301 WeakPolarHBondContact CG1-O 3.37Å; V222-P301 HydrophobicContact CG2-CB 4.32Å; V222-L302 HydrophobicContact CG1-CD2 4.33Å; V222-L302 HydrophobicContact CG2-CD2 4.18Å
223	R	98.8	Very high	97.6	Very high	90 Å²	90	45.2 Å²	45.2	34%	0.34	21%	0.209	S	C	.	.	H	α-helix	trans	-66.5	-42.4	173.6	-65.8	178.1	-166.8	-80.3	1.2	112.4	N219 Q221 R225 A226 K227 E305	N219-R223 WeakPolarHBondContact O-CG 3.23Å; N219-R223 PolarHBondContact O-N 3Å; N219-R223 PolarHBondContact OD1-NE 3.33Å; N219-R223 PolarHBondContact OD1-NH2 3.12Å; Q221-R223 VanDerWaalsContact C-N 3.28Å; Q221-R223 PolarHBondContact O-N 3.02Å; R223-R225 VanDerWaalsContact C-N 3.28Å; R223-R225 PolarHBondContact O-N 3.03Å; R223-A226 PolarHBondContact O-N 3.12Å; R223-K227 PolarHBondContact O-N 3.29Å; R223-E305 IonicContact CZ-OE1 2.68Å; R223-E305 IonicContact NH1-OE1 3.07Å; R223-E305 IonicContact NH2-OE1 3.8Å; R223-E305 PolarHBondContact NH2-OE1 2.86Å
224	Q	98.9	Very high	97.9	Very high	75 Å²	75	45 Å²	45	35%	0.35	21%	0.21	S	C	.	.	H	α-helix	trans	-60.3	-41.6	173	177.8	174.9	-15.4	0	0	111.1	R180 D181 K220 Q221 K227 E228	R180-Q224 PolarHBondContact O-NE2 3.32Å; D181-Q224 HydrophobicContact CB-CB 4.2Å; D181-Q224 HydrophobicContact CB-CG 4.02Å; K220-Q224 PolarHBondContact O-N 3.39Å; Q221-Q224 WeakPolarHBondContact O-CA 3.23Å; Q221-Q224 WeakPolarHBondContact O-CB 3.49Å; Q221-Q224 PolarHBondContact O-N 2.89Å; Q224-K227 WeakPolarHBondContact O-CB 3.25Å; Q224-K227 PolarHBondContact O-N 3.2Å; Q224-E228 HydrophobicContact CG-CG 4.41Å; Q224-E228 PolarHBondContact NE2-OE1 3.15Å; Q224-E228 VanDerWaalsContact O-CG 3.32Å; Q224-E228 WeakPolarHBondContact O-CG 3.34Å; Q224-E228 PolarHBondContact O-N 3.37Å
225	R	98.9	Very high	98.3	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-65.5	-41.3	179.5	-63.9	173	95.9	-117.7	-6.3	112.1	S150 H151 H179 D181 Q221 V222 R223 E228 C229 F274 G275 T278	S150-R225 VanDerWaalsContact OG-CZ 3.24Å; S150-R225 PolarHBondContact OG-NH1 3.47Å; S150-R225 VanDerWaalsContact OG-NH1 3.12Å; S150-R225 PolarHBondContact OG-NH2 3.12Å; H151-R225 PolarHBondContact O-NH2 3.37Å; H179-R225 HydrophobicContact CB-CG 4.24Å; H179-R225 PolarHBondContact CD2-NH2 3.15Å; H179-R225 PolarHBondContact NE2-NH2 2.93Å; D181-R225 HydrophobicContact CB-CG 4.23Å; D181-R225 WeakPolarHBondContact OD2-CD 3.34Å; D181-R225 WeakPolarHBondContact OD2-CG 3.47Å; D181-R225 IonicContact OD2-NE 3.65Å; Q221-R225 VanDerWaalsContact O-CG 3.22Å; Q221-R225 WeakPolarHBondContact O-CG 3.43Å; Q221-R225 PolarHBondContact O-N 2.94Å; V222-R225 PolarHBondContact O-N 3.23Å; R223-R225 VanDerWaalsContact C-N 3.28Å; R223-R225 PolarHBondContact O-N 3.03Å; R225-E228 PolarHBondContact O-N 3.19Å; R225-C229 PolarHBondContact O-N 3.13Å; R225-C229 PolarHBondContact O-SG 2.95Å; R225-C229 VanDerWaalsContact O-SG 3.41Å; R225-F274 PolarHBondContact NH1-O 3.04Å; R225-G275 VanDerWaalsContact NH1-CA 3.32Å; R225-G275 VanDerWaalsContact NH1-N 3.16Å; R225-T278 HydrophobicContact CB-CG2 3.76Å; R225-T278 WeakPolarHBondContact CB-OG1 3.43Å; R225-T278 WeakPolarHBondContact CD-OG1 3.4Å; R225-T278 PolarHBondContact NH1-OG1 3.27Å
226	A	98.9	Very high	98.6	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-60.2	-46.3	173.3	0	0	0	0	0	111.6	V222 R223 E228 C229 S230 Q281 T282	V222-A226 PolarHBondContact O-N 3.43Å; R223-A226 PolarHBondContact O-N 3.12Å; A226-E228 VanDerWaalsContact C-N 3.31Å; A226-E228 PolarHBondContact O-N 3.26Å; A226-C229 WeakPolarHBondContact O-CB 3.42Å; A226-C229 PolarHBondContact O-N 3.07Å; A226-C229 VanDerWaalsContact O-N 3.16Å; A226-S230 PolarHBondContact O-N 3.14Å; A226-S230 PolarHBondContact O-OG 2.98Å; A226-Q281 HydrophobicContact CB-CB 4Å; A226-Q281 HydrophobicContact CB-CG 3.67Å; A226-T282 WeakPolarHBondContact CA-OG1 3.38Å
227	K	98.9	Very high	98.8	Very high	137 Å²	137	32.5 Å²	32.5	60%	0.596	15%	0.15	S	C	*	.	H	α-helix	trans	-57.3	-42.5	172.8	-178.5	178.7	179.6	174.4	0	112.5	R223 Q224 S230 Q231	R223-K227 PolarHBondContact O-N 3.29Å; Q224-K227 WeakPolarHBondContact O-CB 3.25Å; Q224-K227 PolarHBondContact O-N 3.2Å; K227-S230 PolarHBondContact O-N 3.2Å; K227-Q231 VanDerWaalsContact O-CB 3.26Å; K227-Q231 WeakPolarHBondContact O-CB 3.34Å; K227-Q231 PolarHBondContact O-N 3.13Å
228	E	98.9	Very high	98.8	Very high	18 Å²	18	34.1 Å²	34.1	8%	0.084	16%	0.159	C	C	.	.	H	α-helix	trans	-66.1	-37	177.7	-73	168.1	171.8	0	0	111.9	V177 H179 R180 Q224 R225 A226 Q231 A232	V177-E228 HydrophobicContact CG1-CB 4.32Å; H179-E228 VanDerWaalsContact CA-OE2 3.22Å; H179-E228 WeakPolarHBondContact CA-OE2 3.48Å; H179-E228 VanDerWaalsContact CB-OE2 3.32Å; H179-E228 WeakPolarHBondContact CB-OE2 3.13Å; H179-E228 IonicContact CE1-OE2 3.64Å; H179-E228 IonicContact CG-OE2 3.77Å; H179-E228 IonicContact ND1-OE2 2.87Å; H179-E228 PolarHBondContact ND1-OE2 3.02Å; R180-E228 WeakPolarHBondContact CB-OE1 3.46Å; R180-E228 PolarHBondContact N-OE1 3.4Å; R180-E228 PolarHBondContact N-OE2 3Å; Q224-E228 HydrophobicContact CG-CG 4.41Å; Q224-E228 PolarHBondContact NE2-OE1 3.15Å; Q224-E228 VanDerWaalsContact O-CG 3.32Å; Q224-E228 WeakPolarHBondContact O-CG 3.34Å; Q224-E228 PolarHBondContact O-N 3.37Å; R225-E228 PolarHBondContact O-N 3.19Å; A226-E228 VanDerWaalsContact C-N 3.31Å; A226-E228 PolarHBondContact O-N 3.26Å; E228-Q231 PolarHBondContact O-N 2.8Å; E228-A232 WeakPolarHBondContact O-CB 3.36Å; E228-A232 PolarHBondContact O-N 2.96Å
229	C	98.9	Very high	98.8	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-63.6	-47.9	172	-71.7	0	0	0	0	111.9	V148 R225 A226 Q231 A232 L233 T282	V148-C229 HydrophobicContact CG1-CB 3.97Å; R225-C229 PolarHBondContact O-N 3.13Å; R225-C229 PolarHBondContact O-SG 2.95Å; R225-C229 VanDerWaalsContact O-SG 3.41Å; A226-C229 WeakPolarHBondContact O-CB 3.42Å; A226-C229 PolarHBondContact O-N 3.07Å; A226-C229 VanDerWaalsContact O-N 3.16Å; C229-Q231 VanDerWaalsContact C-N 3.3Å; C229-Q231 PolarHBondContact O-N 3.25Å; C229-A232 PolarHBondContact O-N 3.43Å; C229-L233 PolarHBondContact O-N 3.26Å; C229-T282 HydrophobicContact CB-CG2 3.98Å
230	S	98.9	Very high	98.8	Very high	17 Å²	17	32.2 Å²	32.2	12%	0.119	15%	0.149	C	C	.	.	H	α-helix	trans	-63.1	-35.2	175.1	-67.5	0	0	0	0	112.8	A226 K227 L233 N234 D286	A226-S230 PolarHBondContact O-N 3.14Å; A226-S230 PolarHBondContact O-OG 2.98Å; K227-S230 PolarHBondContact O-N 3.2Å; S230-L233 PolarHBondContact O-N 2.9Å; S230-N234 PolarHBondContact O-N 3.36Å; S230-N234 PolarHBondContact O-OD1 3.45Å; S230-D286 VanDerWaalsContact CB-OD2 3.24Å; S230-D286 WeakPolarHBondContact CB-OD2 3.17Å; S230-D286 WeakPolarHBondContact OG-CB 3.36Å; S230-D286 PolarHBondContact OG-OD2 2.95Å
231	Q	98.9	Very high	98.9	Very high	58 Å²	58	32.2 Å²	32.2	27%	0.271	15%	0.151	S	C	.	.	H	α-helix	trans	-70.2	-37.4	176.1	-168.8	-177.8	-64.5	0	0	112	K77 T79 K227 E228 C229 N234 L235	K77-Q231 PolarHBondContact O-NE2 2.68Å; K77-Q231 PolarHBondContact O-OE1 2.93Å; T79-Q231 PolarHBondContact OG1-NE2 3.16Å; T79-Q231 VanDerWaalsContact OG1-NE2 3.08Å; K227-Q231 VanDerWaalsContact O-CB 3.26Å; K227-Q231 WeakPolarHBondContact O-CB 3.34Å; K227-Q231 PolarHBondContact O-N 3.13Å; E228-Q231 PolarHBondContact O-N 2.8Å; C229-Q231 VanDerWaalsContact C-N 3.3Å; C229-Q231 PolarHBondContact O-N 3.25Å; Q231-N234 PolarHBondContact O-N 2.99Å; Q231-L235 WeakPolarHBondContact O-CB 3.35Å; Q231-L235 PolarHBondContact O-N 2.89Å
232	A	98.9	Very high	98.8	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-63.4	-43.8	171.8	0	0	0	0	0	111.3	T79 L81 V177 E228 C229 L235 I236	T79-A232 HydrophobicContact CG2-CB 3.84Å; L81-A232 HydrophobicContact CD2-CB 3.96Å; V177-A232 HydrophobicContact CG2-CB 3.67Å; E228-A232 WeakPolarHBondContact O-CB 3.36Å; E228-A232 PolarHBondContact O-N 2.96Å; C229-A232 PolarHBondContact O-N 3.43Å; A232-L235 PolarHBondContact O-N 3.29Å; A232-I236 WeakPolarHBondContact O-CG1 3.25Å; A232-I236 PolarHBondContact O-N 3.01Å
233	L	98.9	Very high	98.8	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-59.7	-48.2	174	177.4	60	0	0	0	111.7	L146 C229 S230 L235 I236 L237 I267 R288 F289	L146-L233 HydrophobicContact CD2-CD1 3.56Å; C229-L233 PolarHBondContact O-N 3.26Å; S230-L233 PolarHBondContact O-N 2.9Å; L233-L235 VanDerWaalsContact C-N 3.29Å; L233-L235 PolarHBondContact O-N 2.7Å; L233-I236 PolarHBondContact O-N 2.86Å; L233-L237 HydrophobicContact CD1-CD1 3.84Å; L233-L237 HydrophobicContact CD1-CD2 4.41Å; L233-L237 HydrophobicContact CD1-CG 3.86Å; L233-L237 HydrophobicContact CG-CD1 3.94Å; L233-L237 HydrophobicContact CG-CG 4.34Å; L233-L237 WeakPolarHBondContact O-CG 3.43Å; L233-L237 PolarHBondContact O-N 2.93Å; L233-I267 HydrophobicContact CD1-CD1 3.86Å; L233-I267 HydrophobicContact CD1-CG1 4.31Å; L233-I267 HydrophobicContact CD1-CG2 3.81Å; L233-I267 HydrophobicContact CD2-CD1 4.3Å; L233-I267 HydrophobicContact CD2-CG2 4.13Å; L233-R288 HydrophobicContact CD2-CB 3.97Å; L233-F289 HydrophobicContact CB-CE2 4.5Å; L233-F289 HydrophobicContact CB-CZ 3.98Å; L233-F289 HydrophobicContact CD2-CD2 4.24Å; L233-F289 HydrophobicContact CD2-CE1 4.21Å; L233-F289 HydrophobicContact CD2-CE2 3.71Å; L233-F289 HydrophobicContact CD2-CZ 3.71Å; L233-F289 HydrophobicContact CG-CZ 4.4Å
234	N	98.8	Very high	98.6	Very high	67 Å²	67	38.3 Å²	38.3	36%	0.358	20%	0.201	S	C	.	.	H	α-helix	trans	-54.5	-47.2	175.8	-72	-10.9	0	0	0	111.7	S230 Q231 I236 L237 D238 R288	S230-N234 PolarHBondContact O-N 3.36Å; S230-N234 PolarHBondContact O-OD1 3.45Å; Q231-N234 PolarHBondContact O-N 2.99Å; N234-I236 PolarHBondContact O-N 3.32Å; N234-L237 PolarHBondContact O-N 2.86Å; N234-D238 VanDerWaalsContact O-CB 3.31Å; N234-D238 WeakPolarHBondContact O-CB 3.46Å; N234-D238 PolarHBondContact O-N 3.08Å; N234-R288 PolarHBondContact OD1-NH1 3.12Å; N234-R288 PolarHBondContact OD1-NH2 3.3Å
235	L	98.9	Very high	98.5	Very high	7 Å²	7	35.8 Å²	35.8	4%	0.037	19%	0.19	C	C	.	.	H	α-helix	trans	-61.3	-45.1	-179.6	177.4	59.2	0	0	0	111.8	L70 F72 T79 Q231 A232 L233 D238 I239 V245	L70-L235 HydrophobicContact CD2-CD2 3.82Å; L70-L235 HydrophobicContact CD2-CG 4.35Å; L70-L235 HydrophobicContact CG-CD2 4.32Å; F72-L235 HydrophobicContact CB-CD1 4.39Å; F72-L235 HydrophobicContact CB-CD2 3.92Å; F72-L235 HydrophobicContact CD1-CD1 3.44Å; F72-L235 VanDerWaalsContact CD1-CD1 3.44Å; F72-L235 HydrophobicContact CD1-CD2 4.23Å; F72-L235 HydrophobicContact CD1-CG 4.48Å; F72-L235 HydrophobicContact CE1-CD1 4.02Å; F72-L235 HydrophobicContact CG-CD1 4.18Å; T79-L235 HydrophobicContact CG2-CD2 3.96Å; Q231-L235 WeakPolarHBondContact O-CB 3.35Å; Q231-L235 PolarHBondContact O-N 2.89Å; A232-L235 PolarHBondContact O-N 3.29Å; L233-L235 VanDerWaalsContact C-N 3.29Å; L233-L235 PolarHBondContact O-N 2.7Å; L235-D238 PolarHBondContact O-N 2.74Å; L235-I239 HydrophobicContact CD1-CD1 3.96Å; L235-I239 HydrophobicContact CD1-CG1 4.27Å; L235-I239 HydrophobicContact CG-CD1 3.98Å; L235-I239 VanDerWaalsContact O-CG1 3.23Å; L235-I239 WeakPolarHBondContact O-CG1 3.45Å; L235-I239 PolarHBondContact O-N 3.06Å; L235-V245 HydrophobicContact CD1-CG1 4.5Å; L235-V245 HydrophobicContact CD1-CG2 3.89Å
236	I	98.9	Very high	98.3	Very high	1 Å²	1	43 Å²	43	1%	0.005	22%	0.222	C	C	.	.	H	α-helix	trans	-66.5	-44.2	-179.4	-67.8	169.4	0	0	0	110.8	L81 L83 L146 A175 A232 L233 N234 I239 D240 I262	L81-I236 HydrophobicContact CD2-CD1 4.22Å; L83-I236 HydrophobicContact CD2-CD1 4.46Å; L146-I236 HydrophobicContact CD1-CD1 3.99Å; L146-I236 HydrophobicContact CD1-CG2 4.39Å; L146-I236 HydrophobicContact CD2-CB 4.29Å; L146-I236 HydrophobicContact CD2-CD1 4.22Å; L146-I236 HydrophobicContact CD2-CG2 3.81Å; A175-I236 HydrophobicContact CB-CD1 3.42Å; A175-I236 VanDerWaalsContact CB-CD1 3.42Å; A232-I236 WeakPolarHBondContact O-CG1 3.25Å; A232-I236 PolarHBondContact O-N 3.01Å; L233-I236 PolarHBondContact O-N 2.86Å; N234-I236 PolarHBondContact O-N 3.32Å; I236-I239 PolarHBondContact O-N 3.44Å; I236-D240 VanDerWaalsContact O-CB 3.31Å; I236-D240 WeakPolarHBondContact O-CB 3.34Å; I236-D240 PolarHBondContact O-N 3.37Å; I236-I262 HydrophobicContact CG2-CD1 3.82Å; I236-I262 HydrophobicContact CG2-CG1 3.86Å
237	L	98.9	Very high	98.3	Very high	21 Å²	21	44.2 Å²	44.2	11%	0.11	23%	0.229	C	C	.	.	H	α-helix	trans	-64.9	-39.2	177	-66.8	179.4	0	0	0	112.1	L233 N234 D240 H241 I262 R264 I267	L233-L237 HydrophobicContact CD1-CD1 3.84Å; L233-L237 HydrophobicContact CD1-CD2 4.41Å; L233-L237 HydrophobicContact CD1-CG 3.86Å; L233-L237 HydrophobicContact CG-CD1 3.94Å; L233-L237 HydrophobicContact CG-CG 4.34Å; L233-L237 WeakPolarHBondContact O-CG 3.43Å; L233-L237 PolarHBondContact O-N 2.93Å; N234-L237 PolarHBondContact O-N 2.86Å; L237-D240 WeakPolarHBondContact O-CB 3.43Å; L237-D240 PolarHBondContact O-N 2.83Å; L237-H241 PolarHBondContact O-N 3.13Å; L237-H241 PolarHBondContact O-ND1 2.85Å; L237-I262 HydrophobicContact CD2-CG2 4.14Å; L237-R264 HydrophobicContact CD2-CB 4.29Å; L237-R264 HydrophobicContact CD2-CG 3.96Å; L237-I267 HydrophobicContact CD1-CD1 4.5Å
238	D	98.7	Very high	98.2	Very high	60 Å²	60	38.5 Å²	38.5	32%	0.321	21%	0.206	S	C	.	.	H	α-helix	trans	-62.2	-44.2	175	-75.5	-7.7	0	0	0	111.5	N234 L235 D240 H241 G242 K243	N234-D238 VanDerWaalsContact O-CB 3.31Å; N234-D238 WeakPolarHBondContact O-CB 3.46Å; N234-D238 PolarHBondContact O-N 3.08Å; L235-D238 PolarHBondContact O-N 2.74Å; D238-D240 VanDerWaalsContact C-N 3.33Å; D238-H241 CarbonylContact O-C 3.5Å; D238-H241 PolarHBondContact O-N 3.48Å; D238-G242 PolarHBondContact O-N 2.96Å; D238-K243 HydrophobicContact CB-CB 3.93Å; D238-K243 HydrophobicContact CB-CD 3.47Å; D238-K243 VanDerWaalsContact CB-CD 3.47Å; D238-K243 HydrophobicContact CB-CG 4.39Å; D238-K243 WeakPolarHBondContact O-CB 3.32Å; D238-K243 PolarHBondContact O-N 3.36Å; D238-K243 WeakPolarHBondContact OD2-CD 3.4Å; D238-K243 IonicContact OD2-NZ 2.76Å; D238-K243 PolarHBondContact OD2-NZ 2.84Å
239	I	98.7	Very high	98.1	Very high	3 Å²	3	38.6 Å²	38.6	2%	0.015	21%	0.207	C	C	.	.	H	α-helix	trans	-63.2	-43	176.3	-68	164.5	0	0	0	110.1	L70 L235 I236 H241 G242 V245 M255 L258	L70-I239 HydrophobicContact CD2-CD1 3.93Å; L235-I239 HydrophobicContact CD1-CD1 3.96Å; L235-I239 HydrophobicContact CD1-CG1 4.27Å; L235-I239 HydrophobicContact CG-CD1 3.98Å; L235-I239 VanDerWaalsContact O-CG1 3.23Å; L235-I239 WeakPolarHBondContact O-CG1 3.45Å; L235-I239 PolarHBondContact O-N 3.06Å; I236-I239 PolarHBondContact O-N 3.44Å; I239-H241 PolarHBondContact O-N 2.92Å; I239-G242 WeakPolarHBondContact O-CA 3.46Å; I239-G242 PolarHBondContact O-N 3.19Å; I239-V245 HydrophobicContact CD1-CB 4.22Å; I239-V245 HydrophobicContact CD1-CG1 4.39Å; I239-V245 HydrophobicContact CD1-CG2 3.96Å; I239-V245 HydrophobicContact CG1-CB 4.11Å; I239-V245 HydrophobicContact CG1-CG2 3.52Å; I239-M255 VanDerWaalsContact CG2-O 3.25Å; I239-M255 WeakPolarHBondContact CG2-O 3.44Å; I239-L258 HydrophobicContact CG2-CB 3.69Å; I239-L258 HydrophobicContact CG2-CD1 4.31Å
240	D	98.8	Very high	97.8	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-59.6	-32.2	175.4	174.4	75.8	0	0	0	112.3	I236 L237 D238 G242 L258 D260 S261 I262 R264	I236-D240 VanDerWaalsContact O-CB 3.31Å; I236-D240 WeakPolarHBondContact O-CB 3.34Å; I236-D240 PolarHBondContact O-N 3.37Å; L237-D240 WeakPolarHBondContact O-CB 3.43Å; L237-D240 PolarHBondContact O-N 2.83Å; D238-D240 VanDerWaalsContact C-N 3.33Å; D240-G242 VanDerWaalsContact C-N 3.26Å; D240-G242 PolarHBondContact O-N 2.97Å; D240-L258 WeakPolarHBondContact CA-O 3.41Å; D240-D260 PolarHBondContact O-N 3.47Å; D240-D260 VanDerWaalsContact OD1-C 3.31Å; D240-D260 VanDerWaalsContact OD1-CA 3.28Å; D240-D260 WeakPolarHBondContact OD1-CA 3.14Å; D240-D260 PolarHBondContact OD1-N 2.81Å; D240-S261 PolarHBondContact OD1-N 3.36Å; D240-I262 HydrophobicContact CB-CB 4.15Å; D240-I262 HydrophobicContact CB-CG1 3.8Å; D240-I262 PolarHBondContact OD1-N 3.39Å; D240-R264 IonicContact OD2-CZ 2.98Å; D240-R264 IonicContact OD2-NE 3.91Å; D240-R264 PolarHBondContact OD2-NE 2.85Å; D240-R264 IonicContact OD2-NH2 3.9Å; D240-R264 PolarHBondContact OD2-NH2 3.37Å
241	H	98.6	Very high	97.7	Very high	115 Å²	115	48.4 Å²	48.4	53%	0.532	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.3	2.2	169.8	-72.8	136.7	0	0	0	114.9	L237 D238 I239 R264	L237-H241 PolarHBondContact O-N 3.13Å; L237-H241 PolarHBondContact O-ND1 2.85Å; D238-H241 CarbonylContact O-C 3.5Å; D238-H241 PolarHBondContact O-N 3.48Å; I239-H241 PolarHBondContact O-N 2.92Å; H241-R264 PolarHBondContact CD2-NH1 2.89Å; H241-R264 PolarHBondContact CD2-NH2 3.19Å; H241-R264 PolarHBondContact NE2-NE 3.5Å; H241-R264 PolarHBondContact NE2-NH1 3.17Å; H241-R264 PolarHBondContact NE2-NH2 3.1Å
242	G	97.9	Very high	97.5	Very high	37 Å²	37	55.2 Å²	55.2	38%	0.381	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	88.2	19.5	177.9	0	0	0	0	0	114.9	D238 I239 D240 P244	D238-G242 PolarHBondContact O-N 2.96Å; I239-G242 WeakPolarHBondContact O-CA 3.46Å; I239-G242 PolarHBondContact O-N 3.19Å; D240-G242 VanDerWaalsContact C-N 3.26Å; D240-G242 PolarHBondContact O-N 2.97Å; G242-P244 WeakPolarHBondContact O-CD 3.22Å
243	K	97.9	Very high	97.5	Very high	86 Å²	86	55.6 Å²	55.6	37%	0.374	29%	0.289	S	S	.	.			trans	-64.7	123.4	170.5	-179.8	-179.8	179.2	168.9	0	109.8	D238 V245	D238-K243 HydrophobicContact CB-CB 3.93Å; D238-K243 HydrophobicContact CB-CD 3.47Å; D238-K243 VanDerWaalsContact CB-CD 3.47Å; D238-K243 HydrophobicContact CB-CG 4.39Å; D238-K243 WeakPolarHBondContact O-CB 3.32Å; D238-K243 PolarHBondContact O-N 3.36Å; D238-K243 WeakPolarHBondContact OD2-CD 3.4Å; D238-K243 IonicContact OD2-NZ 2.76Å; D238-K243 PolarHBondContact OD2-NZ 2.84Å; K243-V245 HydrophobicContact CG-CG2 4.38Å; K243-V245 PolarHBondContact O-N 2.65Å
244	P	96.3	Very high	97.4	Very high	102 Å²	102	59.7 Å²	59.7	66%	0.662	31%	0.311	S	S	*	.			trans	-68.1	128.9	174.8	28.1	-33.5	0	0	0	109.9	G242	G242-P244 WeakPolarHBondContact O-CD 3.22Å
245	V	96.1	Very high	97.4	Very high	22 Å²	22	56.9 Å²	56.9	13%	0.133	30%	0.296	C	S	.	.			trans	-126.4	112.8	179.8	169.5	0	0	0	0	109.3	L70 F72 L235 I239 K243 N247	L70-V245 HydrophobicContact CD1-CG1 4.07Å; F72-V245 HydrophobicContact CB-CG1 3.87Å; F72-V245 HydrophobicContact CD1-CG1 4.31Å; F72-V245 HydrophobicContact CD2-CG1 3.58Å; F72-V245 HydrophobicContact CE1-CG2 4.47Å; F72-V245 HydrophobicContact CE2-CG1 4.14Å; F72-V245 HydrophobicContact CG-CG1 3.65Å; F72-V245 HydrophobicContact CZ-CG2 4.46Å; L235-V245 HydrophobicContact CD1-CG1 4.5Å; L235-V245 HydrophobicContact CD1-CG2 3.89Å; I239-V245 HydrophobicContact CD1-CB 4.22Å; I239-V245 HydrophobicContact CD1-CG1 4.39Å; I239-V245 HydrophobicContact CD1-CG2 3.96Å; I239-V245 HydrophobicContact CG1-CB 4.11Å; I239-V245 HydrophobicContact CG1-CG2 3.52Å; K243-V245 HydrophobicContact CG-CG2 4.38Å; K243-V245 PolarHBondContact O-N 2.65Å; V245-N247 PolarHBondContact O-N 3.29Å
246	K	95.5	Very high	97.3	Very high	152 Å²	152	62.8 Å²	62.8	66%	0.661	32%	0.323	S	S	*	.			trans	-80.9	104.9	169.7	-173.1	179.6	-178.7	-177.5	0	108.7	A248	K246-A248 PolarHBondContact O-N 3.14Å
247	N	97.6	Very high	97.2	Very high	26 Å²	26	65.7 Å²	65.7	14%	0.139	34%	0.336	C	S	.	.			trans	-58.7	130.7	175.2	-166	-6.8	0	0	0	109.6	D69 L70 M71 V245 L249	D69-N247 PolarHBondContact O-ND2 3.2Å; L70-N247 HydrophobicContact CD1-CB 4.19Å; M71-N247 PolarHBondContact N-OD1 3.17Å; M71-N247 PolarHBondContact O-OD1 2.71Å; V245-N247 PolarHBondContact O-N 3.29Å; N247-L249 WeakPolarHBondContact CB-O 3.45Å; N247-L249 PolarHBondContact O-N 3.05Å; N247-L249 PolarHBondContact OD1-N 3.47Å; N247-L249 VanDerWaalsContact OD1-N 3.11Å
248	A	97.5	Very high	97.2	Very high	16 Å²	16	64.7 Å²	64.7	13%	0.132	33%	0.331	C	S	.	.	S	Bend	trans	-69.1	-13.5	174.5	0	0	0	0	0	112.2	M71 H74 F190 K246	M71-A248 HydrophobicContact CB-CB 4.13Å; M71-A248 HydrophobicContact CG-CB 4.08Å; M71-A248 WeakPolarHBondContact O-CB 3.45Å; M71-A248 PolarHBondContact O-N 3.15Å; M71-A248 HydrophobicContact SD-CB 4.28Å; H74-A248 HydrophobicContact CB-CB 3.7Å; F190-A248 HydrophobicContact CD2-CB 4.19Å; F190-A248 HydrophobicContact CE2-CB 4.16Å; K246-A248 PolarHBondContact O-N 3.14Å
249	L	96.4	Very high	97.2	Very high	20 Å²	20	67.4 Å²	67.4	11%	0.105	34%	0.34	C	S	.	.	S	Bend	trans	-96.9	124.5	170.9	-48.9	178.5	0	0	0	108.8	D69 M71 F80 Y188 F190 N247 L251	D69-L249 HydrophobicContact CB-CD1 3.64Å; M71-L249 HydrophobicContact CB-CD1 4.3Å; M71-L249 HydrophobicContact CB-CD2 4.41Å; M71-L249 HydrophobicContact CB-CG 4Å; F80-L249 HydrophobicContact CE2-CD1 3.79Å; F80-L249 HydrophobicContact CZ-CD1 4.38Å; Y188-L249 HydrophobicContact CE2-CD2 4.19Å; Y188-L249 WeakPolarHBondContact OH-CD2 3.37Å; F190-L249 HydrophobicContact CE2-CD2 4.07Å; F190-L249 HydrophobicContact CZ-CD2 4.22Å; N247-L249 WeakPolarHBondContact CB-O 3.45Å; N247-L249 PolarHBondContact O-N 3.05Å; N247-L249 PolarHBondContact OD1-N 3.47Å; N247-L249 VanDerWaalsContact OD1-N 3.11Å; L249-L251 VanDerWaalsContact C-N 3.31Å; L249-L251 HydrophobicContact CB-CD1 4.07Å; L249-L251 HydrophobicContact CB-CG 3.9Å; L249-L251 HydrophobicContact CD1-CD1 4.3Å; L249-L251 PolarHBondContact O-N 2.8Å
250	D	92.9	Very high	97.2	Very high	171 Å²	171	71.4 Å²	71.4	91%	0.914	36%	0.362	S	S	*	.			trans	-76.1	83.3	174.6	-173.3	28.8	0	0	0	109.8
251	L	96.2	Very high	97.2	Very high	53 Å²	53	71.7 Å²	71.7	28%	0.277	36%	0.364	S	S	.	.			trans	-117.2	155.7	-178.9	-61.3	-179	0	0	0	110.6	D69 W134 L249 F253	D69-L251 HydrophobicContact CB-CD1 4.05Å; D69-L251 VanDerWaalsContact O-CD1 3.27Å; D69-L251 WeakPolarHBondContact O-CD1 3.2Å; W134-L251 HydrophobicContact CH2-CD1 4.35Å; W134-L251 HydrophobicContact CZ2-CD1 4.08Å; W134-L251 HydrophobicContact CZ2-CD2 4Å; L249-L251 VanDerWaalsContact C-N 3.31Å; L249-L251 HydrophobicContact CB-CD1 4.07Å; L249-L251 HydrophobicContact CB-CG 3.9Å; L249-L251 HydrophobicContact CD1-CD1 4.3Å; L249-L251 PolarHBondContact O-N 2.8Å; L251-F253 VanDerWaalsContact C-N 3.31Å; L251-F253 PolarHBondContact O-N 2.58Å
252	K	96.2	Very high	97.2	Very high	200 Å²	200	66.2 Å²	66.2	87%	0.87	34%	0.339	S	S	*	.	S	Bend	trans	-75.4	-16.8	-175.9	-64.6	-176.2	178.4	-177.6	0	114.4	N135 D254	N135-K252 HydrophobicContact CB-CB 4.3Å; K252-D254 PolarHBondContact O-N 3.42Å
253	F	97.3	Very high	97.2	Very high	9 Å²	9	66 Å²	66	4%	0.039	33%	0.329	C	S	.	.			trans	-75.9	119.5	-179.7	-175.3	-87.1	0	0	0	110.1	T68 Y85 N135 L138 L251 M255 Q257	T68-F253 HydrophobicContact CG2-CB 4.2Å; T68-F253 HydrophobicContact CG2-CD1 3.8Å; T68-F253 HydrophobicContact CG2-CD2 4.46Å; T68-F253 HydrophobicContact CG2-CE1 4.27Å; T68-F253 HydrophobicContact CG2-CG 3.9Å; Y85-F253 HydrophobicContact CE1-CE2 4.12Å; Y85-F253 HydrophobicContact CE1-CZ 4.39Å; Y85-F253 HydrophobicContact CE2-CD2 4.44Å; Y85-F253 AromaticContact CE2-CE2 3.7Å; Y85-F253 HydrophobicContact CE2-CE2 3.7Å; Y85-F253 HydrophobicContact CE2-CZ 4.39Å; Y85-F253 AromaticContact CZ-CD2 3.84Å; Y85-F253 AromaticContact CZ-CE2 3.41Å; Y85-F253 VanDerWaalsContact CZ-CE2 3.41Å; Y85-F253 WeakPolarHBondContact OH-CD2 3.42Å; Y85-F253 VanDerWaalsContact OH-CE2 3.25Å; Y85-F253 WeakPolarHBondContact OH-CE2 3.24Å; N135-F253 HydrophobicContact CB-CB 4Å; N135-F253 WeakPolarHBondContact OD1-CB 3.37Å; L138-F253 HydrophobicContact CB-CE2 4.43Å; L138-F253 HydrophobicContact CB-CZ 4.32Å; L251-F253 VanDerWaalsContact C-N 3.31Å; L251-F253 PolarHBondContact O-N 2.58Å; F253-M255 HydrophobicContact CD1-CE 3.8Å; F253-M255 HydrophobicContact CD1-SD 3.97Å; F253-M255 HydrophobicContact CE1-CE 4.4Å; F253-M255 HydrophobicContact CE1-SD 4.04Å; F253-Q257 HydrophobicContact CZ-CB 4.24Å
254	D	97.4	Very high	97.3	Very high	86 Å²	86	66.4 Å²	66.4	46%	0.46	33%	0.328	S	S	.	.			trans	-78.6	120.4	173.9	-178.3	8	0	0	0	110.6	K252 E256 Q257	K252-D254 PolarHBondContact O-N 3.42Å; D254-E256 PolarHBondContact O-N 3.47Å; D254-E256 WeakPolarHBondContact OD1-CB 3.35Å; D254-E256 PolarHBondContact OD1-N 2.82Å; D254-Q257 HydrophobicContact CB-CG 4.41Å; D254-Q257 WeakPolarHBondContact O-CB 3.22Å; D254-Q257 WeakPolarHBondContact O-CG 3.43Å; D254-Q257 PolarHBondContact O-N 3.46Å; D254-Q257 PolarHBondContact O-NE2 3.25Å
255	M	97.9	Very high	97.4	Very high	8 Å²	8	69 Å²	69	4%	0.039	33%	0.331	C	S	.	.	G	3₁₀ helix	trans	-70	-19.1	-179.7	-65.8	-67.1	159	0	0	112.6	T68 L70 L83 I239 F253 Q257 L258	T68-M255 HydrophobicContact CG2-CE 3.86Å; L70-M255 HydrophobicContact CB-CE 3.88Å; L70-M255 HydrophobicContact CB-SD 4.37Å; L70-M255 HydrophobicContact CD1-CE 3.99Å; L70-M255 HydrophobicContact CD1-CG 4.14Å; L70-M255 HydrophobicContact CD1-SD 4.03Å; L70-M255 HydrophobicContact CD2-SD 4.11Å; L70-M255 HydrophobicContact CG-CE 4.38Å; L70-M255 HydrophobicContact CG-SD 4.39Å; L83-M255 HydrophobicContact CD1-SD 4.44Å; I239-M255 VanDerWaalsContact CG2-O 3.25Å; I239-M255 WeakPolarHBondContact CG2-O 3.44Å; F253-M255 HydrophobicContact CD1-CE 3.8Å; F253-M255 HydrophobicContact CD1-SD 3.97Å; F253-M255 HydrophobicContact CE1-CE 4.4Å; F253-M255 HydrophobicContact CE1-SD 4.04Å; M255-Q257 PolarHBondContact O-N 3.08Å; M255-L258 WeakPolarHBondContact O-CB 3.45Å; M255-L258 PolarHBondContact O-N 3.44Å; M255-L258 HydrophobicContact SD-CD1 4.23Å
256	E	97.4	Very high	97.5	Very high	131 Å²	131	69.9 Å²	69.9	61%	0.612	33%	0.333	S	S	*	.	G	3₁₀ helix	trans	-62.9	-20.3	174.7	-64.7	-170.6	-179.3	0	0	112.5	D254 L258 K259	D254-E256 PolarHBondContact O-N 3.47Å; D254-E256 WeakPolarHBondContact OD1-CB 3.35Å; D254-E256 PolarHBondContact OD1-N 2.82Å; E256-L258 PolarHBondContact O-N 3.42Å; E256-L258 VanDerWaalsContact O-N 3.15Å; E256-K259 WeakPolarHBondContact O-CB 3.47Å; E256-K259 PolarHBondContact O-N 2.79Å
257	Q	98.1	Very high	97.7	Very high	61 Å²	61	62.7 Å²	62.7	29%	0.285	30%	0.302	S	S	.	.	G	3₁₀ helix	trans	-59.1	-23.9	172.4	-67.9	174.9	82.7	0	0	113.1	P137 L138 F253 D254 M255 K259	P137-Q257 VanDerWaalsContact CA-OE1 3.27Å; L138-Q257 HydrophobicContact CB-CB 4.26Å; L138-Q257 VanDerWaalsContact CD2-O 3.29Å; L138-Q257 WeakPolarHBondContact CD2-O 3.29Å; F253-Q257 HydrophobicContact CZ-CB 4.24Å; D254-Q257 HydrophobicContact CB-CG 4.41Å; D254-Q257 WeakPolarHBondContact O-CB 3.22Å; D254-Q257 WeakPolarHBondContact O-CG 3.43Å; D254-Q257 PolarHBondContact O-N 3.46Å; D254-Q257 PolarHBondContact O-NE2 3.25Å; M255-Q257 PolarHBondContact O-N 3.08Å; Q257-K259 PolarHBondContact O-N 3.21Å
258	L	98.3	Very high	97.7	Very high	1 Å²	1	61.5 Å²	61.5	1%	0.005	30%	0.295	C	S	.	.	G	3₁₀ helix	trans	-78.7	-6.2	177	-70.5	167.5	0	0	0	113.1	L83 L138 I173 I239 D240 M255 E256 D260 S261	L83-L258 HydrophobicContact CD1-CD1 3.93Å; L138-L258 HydrophobicContact CD2-CD2 4.12Å; I173-L258 HydrophobicContact CD1-CD2 3.84Å; I239-L258 HydrophobicContact CG2-CB 3.69Å; I239-L258 HydrophobicContact CG2-CD1 4.31Å; D240-L258 WeakPolarHBondContact CA-O 3.41Å; M255-L258 WeakPolarHBondContact O-CB 3.45Å; M255-L258 PolarHBondContact O-N 3.44Å; M255-L258 HydrophobicContact SD-CD1 4.23Å; E256-L258 PolarHBondContact O-N 3.42Å; E256-L258 VanDerWaalsContact O-N 3.15Å; L258-D260 PolarHBondContact O-N 3.1Å; L258-S261 VanDerWaalsContact CA-OG 3.25Å; L258-S261 WeakPolarHBondContact CA-OG 3.45Å; L258-S261 WeakPolarHBondContact O-CB 3.47Å; L258-S261 PolarHBondContact O-N 3.16Å; L258-S261 PolarHBondContact O-OG 2.91Å
259	K	98.5	Very high	97.8	Very high	116 Å²	116	60.7 Å²	60.7	50%	0.504	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.9	131.7	175.7	-175.3	-176.9	173.1	-175.6	0	110.6	E256 Q257 S261	E256-K259 WeakPolarHBondContact O-CB 3.47Å; E256-K259 PolarHBondContact O-N 2.79Å; Q257-K259 PolarHBondContact O-N 3.21Å; K259-S261 PolarHBondContact O-N 3.14Å; K259-S261 VanDerWaalsContact O-N 3.15Å
260	D	98.4	Very high	97.9	Very high	87 Å²	87	59.9 Å²	59.9	47%	0.465	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.5	26	-179.4	-62.9	-56.3	0	0	0	114.6	K143 D240 L258 R264	K143-D260 WeakPolarHBondContact CE-O 3.5Å; K143-D260 WeakPolarHBondContact CG-O 3.25Å; D240-D260 PolarHBondContact O-N 3.47Å; D240-D260 VanDerWaalsContact OD1-C 3.31Å; D240-D260 VanDerWaalsContact OD1-CA 3.28Å; D240-D260 WeakPolarHBondContact OD1-CA 3.14Å; D240-D260 PolarHBondContact OD1-N 2.81Å; L258-D260 PolarHBondContact O-N 3.1Å; D260-R264 IonicContact OD1-NH2 2.67Å
261	S	98.5	Very high	98.2	Very high	7 Å²	7	51.7 Å²	51.7	5%	0.049	24%	0.241	C	C	.	.			trans	-104.6	-9.7	-175.6	75.4	0	0	0	0	114.6	K143 Y144 D240 L258 K259	K143-S261 CarbonylContact C-O 3.59Å; K143-S261 VanDerWaalsContact CA-O 3.31Å; K143-S261 WeakPolarHBondContact CA-O 3.13Å; Y144-S261 PolarHBondContact N-O 3.14Å; D240-S261 PolarHBondContact OD1-N 3.36Å; L258-S261 VanDerWaalsContact CA-OG 3.25Å; L258-S261 WeakPolarHBondContact CA-OG 3.45Å; L258-S261 WeakPolarHBondContact O-CB 3.47Å; L258-S261 PolarHBondContact O-N 3.16Å; L258-S261 PolarHBondContact O-OG 2.91Å; K259-S261 PolarHBondContact O-N 3.14Å; K259-S261 VanDerWaalsContact O-N 3.15Å
262	I	98.8	Very high	98.3	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	130.2	-175.3	-53.5	-64.7	0	0	0	110.8	L146 I173 I236 L237 D240 R264	L146-I262 HydrophobicContact CB-CG2 4.18Å; L146-I262 HydrophobicContact CD2-CG2 4.44Å; I173-I262 HydrophobicContact CB-CD1 4.4Å; I173-I262 HydrophobicContact CD1-CD1 3.58Å; I173-I262 HydrophobicContact CG2-CD1 4.46Å; I236-I262 HydrophobicContact CG2-CD1 3.82Å; I236-I262 HydrophobicContact CG2-CG1 3.86Å; L237-I262 HydrophobicContact CD2-CG2 4.14Å; D240-I262 HydrophobicContact CB-CB 4.15Å; D240-I262 HydrophobicContact CB-CG1 3.8Å; D240-I262 PolarHBondContact OD1-N 3.39Å; I262-R264 PolarHBondContact O-N 3.01Å
263	D	98.7	Very high	98.5	Very high	32 Å²	32	40.3 Å²	40.3	17%	0.171	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	96.2	162.9	-168.3	-24.5	0	0	0	109.2	K143 Y144 E265 K266	K143-D263 HydrophobicContact CB-CB 4.21Å; Y144-D263 PolarHBondContact O-N 2.85Å; D263-E265 PolarHBondContact O-N 3.24Å; D263-E265 VanDerWaalsContact O-N 3.14Å; D263-E265 PolarHBondContact OD1-N 3.28Å; D263-K266 HydrophobicContact CB-CB 4.23Å; D263-K266 HydrophobicContact CB-CG 4.38Å; D263-K266 PolarHBondContact O-N 2.97Å; D263-K266 WeakPolarHBondContact OD2-CD 3.45Å; D263-K266 WeakPolarHBondContact OD2-CE 3.46Å; D263-K266 IonicContact OD2-NZ 3.18Å; D263-K266 PolarHBondContact OD2-NZ 3.36Å
264	R	98.5	Very high	98.5	Very high	94 Å²	94	39.9 Å²	39.9	36%	0.355	19%	0.188	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	-14.8	-170.5	-53.6	179.3	-176.3	141.9	6.2	113.9	L237 D240 H241 D260 I262 I267	L237-R264 HydrophobicContact CD2-CB 4.29Å; L237-R264 HydrophobicContact CD2-CG 3.96Å; D240-R264 IonicContact OD2-CZ 2.98Å; D240-R264 IonicContact OD2-NE 3.91Å; D240-R264 PolarHBondContact OD2-NE 2.85Å; D240-R264 IonicContact OD2-NH2 3.9Å; D240-R264 PolarHBondContact OD2-NH2 3.37Å; H241-R264 PolarHBondContact CD2-NH1 2.89Å; H241-R264 PolarHBondContact CD2-NH2 3.19Å; H241-R264 PolarHBondContact NE2-NE 3.5Å; H241-R264 PolarHBondContact NE2-NH1 3.17Å; H241-R264 PolarHBondContact NE2-NH2 3.1Å; D260-R264 IonicContact OD1-NH2 2.67Å; I262-R264 PolarHBondContact O-N 3.01Å; R264-I267 WeakPolarHBondContact O-CD1 3.35Å
265	E	98.4	Very high	98.6	Very high	158 Å²	158	35.8 Å²	35.8	74%	0.738	17%	0.167	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-93	-10.3	177.2	-62.2	-169.7	166.2	0	0	112.2	D263 R290	D263-E265 PolarHBondContact O-N 3.24Å; D263-E265 VanDerWaalsContact O-N 3.14Å; D263-E265 PolarHBondContact OD1-N 3.28Å; E265-R290 VanDerWaalsContact O-CG 3.26Å; E265-R290 WeakPolarHBondContact O-CG 3.07Å
266	K	98.8	Very high	98.6	Very high	39 Å²	39	35.4 Å²	35.4	17%	0.17	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	68.6	-173.4	-57.9	-161.9	-175.7	111.6	0	111.6	P145 L146 D263 L396 G397 L398	P145-K266 WeakPolarHBondContact CA-O 3.16Å; P145-K266 HydrophobicContact CB-CB 3.84Å; L146-K266 PolarHBondContact N-O 3.49Å; D263-K266 HydrophobicContact CB-CB 4.23Å; D263-K266 HydrophobicContact CB-CG 4.38Å; D263-K266 PolarHBondContact O-N 2.97Å; D263-K266 WeakPolarHBondContact OD2-CD 3.45Å; D263-K266 WeakPolarHBondContact OD2-CE 3.46Å; D263-K266 IonicContact OD2-NZ 3.18Å; D263-K266 PolarHBondContact OD2-NZ 3.36Å; K266-L396 HydrophobicContact CB-CB 4.19Å; K266-L396 HydrophobicContact CB-CD1 4.41Å; K266-L396 HydrophobicContact CD-CB 4.4Å; K266-L396 VanDerWaalsContact CD-O 3.29Å; K266-L396 WeakPolarHBondContact CD-O 3.37Å; K266-L396 VanDerWaalsContact CE-O 3.28Å; K266-L396 WeakPolarHBondContact CE-O 3.49Å; K266-L396 HydrophobicContact CG-CB 4.36Å; K266-L396 WeakPolarHBondContact CG-O 3.33Å; K266-G397 WeakPolarHBondContact CE-O 3.06Å; K266-L398 HydrophobicContact CD-CD2 3.53Å
267	I	98.9	Very high	98.7	Very high	2 Å²	2	29.1 Å²	29.1	1%	0.01	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	126.6	-176	-54	159.8	0	0	0	110.2	L146 L233 L237 R264 F289 R290	L146-I267 CarbonylContact O-C 3.6Å; L146-I267 WeakPolarHBondContact O-CA 3.36Å; L233-I267 HydrophobicContact CD1-CD1 3.86Å; L233-I267 HydrophobicContact CD1-CG1 4.31Å; L233-I267 HydrophobicContact CD1-CG2 3.81Å; L233-I267 HydrophobicContact CD2-CD1 4.3Å; L233-I267 HydrophobicContact CD2-CG2 4.13Å; L237-I267 HydrophobicContact CD1-CD1 4.5Å; R264-I267 WeakPolarHBondContact O-CD1 3.35Å; I267-F289 HydrophobicContact CG2-CD1 3.6Å; I267-F289 HydrophobicContact CG2-CE1 3.74Å; I267-F289 HydrophobicContact CG2-CG 4.39Å; I267-R290 PolarHBondContact O-N 3.41Å
268	A	99	Very high	98.8	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	160.2	174.5	0	0	0	0	0	112.1	L146 V147 V148 C291 L392 L396	L146-A268 PolarHBondContact O-N 3.31Å; V147-A268 WeakPolarHBondContact CA-O 3.29Å; V147-A268 HydrophobicContact CG2-CB 4.42Å; V148-A268 PolarHBondContact N-O 2.91Å; A268-C291 WeakPolarHBondContact CA-O 3.24Å; A268-L392 HydrophobicContact CB-CD2 3.44Å; A268-L392 VanDerWaalsContact CB-CD2 3.44Å; A268-L396 HydrophobicContact CB-CD1 4.18Å
269	V	99	Very high	98.8	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	128	171.2	57.5	0	0	0	0	110	V148 V279 T282 L283 F289 C291 G292 I293	V148-V269 WeakPolarHBondContact O-CA 3.22Å; V269-V279 HydrophobicContact CG1-CG1 4.19Å; V269-V279 HydrophobicContact CG2-CG2 4.09Å; V269-T282 HydrophobicContact CG1-CG2 4.47Å; V269-T282 HydrophobicContact CG2-CG2 4.47Å; V269-L283 HydrophobicContact CG1-CD2 3.8Å; V269-L283 HydrophobicContact CG1-CG 3.96Å; V269-F289 HydrophobicContact CB-CD1 3.65Å; V269-F289 HydrophobicContact CB-CE1 3.85Å; V269-F289 HydrophobicContact CB-CG 4.3Å; V269-F289 HydrophobicContact CG1-CB 4.31Å; V269-F289 HydrophobicContact CG1-CD1 3.98Å; V269-F289 HydrophobicContact CG1-CG 4.17Å; V269-C291 PolarHBondContact N-O 2.83Å; V269-G292 CarbonylContact O-C 3.55Å; V269-G292 WeakPolarHBondContact O-CA 3.24Å; V269-I293 PolarHBondContact O-N 2.77Å
270	I	99	Very high	98.8	Very high	2 Å²	2	20.7 Å²	20.7	1%	0.01	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	148.7	178.6	-56	-175.4	0	0	0	108.4	V147 V148 F149 S150 L167 V279 I293 L295 L392	V147-I270 HydrophobicContact CG1-CB 4.04Å; V147-I270 HydrophobicContact CG1-CD1 3.79Å; V147-I270 HydrophobicContact CG1-CG1 3.73Å; V147-I270 HydrophobicContact CG2-CD1 4.39Å; V148-I270 PolarHBondContact O-N 2.68Å; F149-I270 CarbonylContact C-O 3.25Å; F149-I270 VanDerWaalsContact CA-O 3.25Å; F149-I270 WeakPolarHBondContact CA-O 3.27Å; F149-I270 HydrophobicContact CD2-CB 3.96Å; F149-I270 HydrophobicContact CD2-CG2 3.86Å; F149-I270 HydrophobicContact CE2-CB 4.35Å; F149-I270 HydrophobicContact CE2-CG2 3.73Å; S150-I270 PolarHBondContact N-O 3.45Å; L167-I270 HydrophobicContact CD1-CD1 4.03Å; I270-V279 VanDerWaalsContact C-CG2 3.42Å; I270-I293 WeakPolarHBondContact CA-O 3.5Å; I270-I293 HydrophobicContact CD1-CB 4.38Å; I270-I293 HydrophobicContact CD1-CD1 4Å; I270-I293 HydrophobicContact CD1-CG1 4.42Å; I270-I293 HydrophobicContact CG1-CB 4.01Å; I270-I293 HydrophobicContact CG1-CD1 4.42Å; I270-I293 HydrophobicContact CG1-CG1 4.3Å; I270-I293 HydrophobicContact CG2-CB 4.24Å; I270-L295 HydrophobicContact CG2-CD1 3.97Å; I270-L295 HydrophobicContact CG2-CG 4.14Å; I270-L392 HydrophobicContact CD1-CD1 4.25Å
271	G	98.9	Very high	98.8	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-168.5	153.5	174.2	0	0	0	0	0	113.7	S150 G275 G276 I293 L295	S150-G271 WeakPolarHBondContact O-CA 3.38Å; G271-G275 VanDerWaalsContact C-C 3.45Å; G271-G276 WeakPolarHBondContact O-CA 3.35Å; G271-G276 PolarHBondContact O-N 3.19Å; G271-I293 PolarHBondContact N-O 3.37Å; G271-I293 VanDerWaalsContact N-O 3.14Å; G271-L295 PolarHBondContact O-N 2.98Å
272	H	98.9	Very high	98.9	Very high	3 Å²	3	16.4 Å²	16.4	1%	0.014	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	137.7	-176.3	172.4	-103.8	0	0	0	112.9	F149 S150 G152 Y160 F274 G275 L295 H351 F354	F149-H272 HydrophobicContact CZ-CB 4.39Å; S150-H272 PolarHBondContact O-N 3.06Å; S150-H272 VanDerWaalsContact O-N 3.12Å; G152-H272 VanDerWaalsContact CA-O 3.27Å; G152-H272 WeakPolarHBondContact CA-O 3.45Å; G152-H272 PolarHBondContact N-O 2.8Å; Y160-H272 HydrophobicContact CD1-CB 4.23Å; Y160-H272 HydrophobicContact CE1-CB 3.45Å; Y160-H272 VanDerWaalsContact CE1-CB 3.45Å; Y160-H272 AromaticContact CE1-CG 3.61Å; Y160-H272 AromaticContact CE1-ND1 3.54Å; Y160-H272 AromaticContact CZ-ND1 3.58Å; Y160-H272 PolarHBondContact OH-ND1 3.17Å; H272-F274 PolarHBondContact O-N 2.96Å; H272-G275 WeakPolarHBondContact O-CA 3.47Å; H272-G275 PolarHBondContact O-N 2.87Å; H272-L295 CarbonylContact C-O 3.6Å; H272-L295 VanDerWaalsContact CA-O 3.23Å; H272-L295 WeakPolarHBondContact CA-O 3.41Å; H272-L295 HydrophobicContact CB-CB 4.16Å; H272-L295 PolarHBondContact CD2-O 2.92Å; H272-L295 VanDerWaalsContact CD2-O 3.3Å; H272-H351 AromaticContact CE1-CD2 3.99Å; H272-H351 AromaticContact CE1-CE1 3.56Å; H272-H351 AromaticContact CE1-ND1 3.96Å; H272-H351 AromaticContact CE1-NE2 3.57Å; H272-H351 PolarHBondContact CE1-O 3.24Å; H272-H351 AromaticContact NE2-CE1 3.32Å; H272-H351 PolarHBondContact NE2-CE1 2.95Å; H272-H351 VanDerWaalsContact NE2-CE1 3.32Å; H272-H351 AromaticContact NE2-ND1 3.48Å; H272-H351 PolarHBondContact NE2-ND1 3.28Å; H272-H351 AromaticContact NE2-NE2 3.82Å; H272-H351 PolarHBondContact NE2-O 3.42Å; H272-H351 VanDerWaalsContact NE2-O 3.08Å; H272-F354 VanDerWaalsContact CD2-CB 3.43Å; H272-F354 WeakPolarHBondContact CD2-CB 3.46Å; H272-F354 AromaticContact CD2-CD2 3.78Å; H272-F354 AromaticContact CD2-CG 3.83Å; H272-F354 AromaticContact NE2-CD2 3.83Å
273	S	98.7	Very high	98.9	Very high	10 Å²	10	16.4 Å²	16.4	7%	0.07	7%	0.074	C	C	.	.	T	Hydrogen-bonded Turn	trans	60	-115.6	175.7	-171.3	0	0	0	0	111.4	G275 G276 A277 L295 D296 W298 H351	S273-G275 PolarHBondContact O-N 2.79Å; S273-G276 WeakPolarHBondContact O-CA 3.22Å; S273-G276 PolarHBondContact O-N 2.93Å; S273-A277 PolarHBondContact O-N 2.96Å; S273-L295 PolarHBondContact N-O 3.21Å; S273-D296 WeakPolarHBondContact CA-O 3.39Å; S273-W298 PolarHBondContact O-N 3Å; S273-H351 WeakPolarHBondContact CB-CE1 3.38Å; S273-H351 WeakPolarHBondContact CB-NE2 3.47Å; S273-H351 PolarHBondContact OG-CE1 3.43Å; S273-H351 PolarHBondContact OG-NE2 3.28Å
274	F	98.9	Very high	98.9	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-55	-37.1	168.5	-155.8	167.4	0	0	0	111	L153 Q221 V222 R225 H272 G276 A277 T278 W298 P301	L153-F274 HydrophobicContact CB-CB 4.28Å; L153-F274 HydrophobicContact CB-CD1 4.06Å; L153-F274 HydrophobicContact CD1-CD1 4.15Å; L153-F274 HydrophobicContact CD1-CE1 4.46Å; Q221-F274 HydrophobicContact CB-CE1 4.19Å; Q221-F274 HydrophobicContact CB-CZ 3.66Å; V222-F274 HydrophobicContact CB-CE2 3.87Å; V222-F274 HydrophobicContact CG2-CE2 4.05Å; R225-F274 PolarHBondContact NH1-O 3.04Å; H272-F274 PolarHBondContact O-N 2.96Å; F274-G276 VanDerWaalsContact C-N 3.26Å; F274-G276 PolarHBondContact O-N 2.71Å; F274-A277 HydrophobicContact CD2-CB 4.41Å; F274-A277 WeakPolarHBondContact O-CB 3.44Å; F274-A277 PolarHBondContact O-N 2.81Å; F274-A277 VanDerWaalsContact O-N 3.09Å; F274-T278 PolarHBondContact O-N 2.67Å; F274-W298 HydrophobicContact CB-CE3 4.2Å; F274-W298 HydrophobicContact CD1-CE3 4.4Å; F274-W298 HydrophobicContact CD1-CZ3 4.12Å; F274-W298 HydrophobicContact CD2-CE3 4.5Å; F274-W298 HydrophobicContact CE1-CZ3 4.37Å; F274-W298 HydrophobicContact CG-CE3 4.14Å; F274-W298 HydrophobicContact CG-CZ3 4.3Å; F274-P301 HydrophobicContact CD2-CB 4.16Å; F274-P301 HydrophobicContact CD2-CG 3.62Å; F274-P301 HydrophobicContact CE2-CB 3.43Å; F274-P301 VanDerWaalsContact CE2-CB 3.43Å; F274-P301 HydrophobicContact CE2-CG 3.3Å; F274-P301 HydrophobicContact CG-CG 4.46Å; F274-P301 HydrophobicContact CZ-CB 4.05Å; F274-P301 HydrophobicContact CZ-CG 3.9Å
275	G	98.9	Very high	98.9	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-50.7	-40.5	168.5	0	0	0	0	0	114.1	S150 H151 R225 G271 H272 S273 T278 V279	S150-G275 WeakPolarHBondContact O-CA 3.26Å; S150-G275 WeakPolarHBondContact OG-CA 3.42Å; H151-G275 WeakPolarHBondContact O-CA 3.17Å; H151-G275 PolarHBondContact O-N 3.43Å; H151-G275 VanDerWaalsContact O-N 3.09Å; R225-G275 VanDerWaalsContact NH1-CA 3.32Å; R225-G275 VanDerWaalsContact NH1-N 3.16Å; G271-G275 VanDerWaalsContact C-C 3.45Å; H272-G275 WeakPolarHBondContact O-CA 3.47Å; H272-G275 PolarHBondContact O-N 2.87Å; S273-G275 PolarHBondContact O-N 2.79Å; G275-T278 CarbonylContact O-C 3.55Å; G275-T278 WeakPolarHBondContact O-CA 3.3Å; G275-T278 WeakPolarHBondContact O-CB 3.04Å; G275-T278 PolarHBondContact O-N 2.68Å; G275-T278 VanDerWaalsContact O-N 3.1Å; G275-V279 WeakPolarHBondContact O-CG2 3.46Å; G275-V279 PolarHBondContact O-N 3.32Å
276	G	98.9	Very high	98.9	Very high	0 Å²	0	9.1 Å²	9.1	0%	0	5%	0.046	C	C	.	.	H	α-helix	trans	-67.7	-35.2	176.7	0	0	0	0	0	113.1	G271 S273 F274 T278 V279 I280	G271-G276 WeakPolarHBondContact O-CA 3.35Å; G271-G276 PolarHBondContact O-N 3.19Å; S273-G276 WeakPolarHBondContact O-CA 3.22Å; S273-G276 PolarHBondContact O-N 2.93Å; F274-G276 VanDerWaalsContact C-N 3.26Å; F274-G276 PolarHBondContact O-N 2.71Å; G276-T278 VanDerWaalsContact C-N 3.33Å; G276-V279 WeakPolarHBondContact O-CB 3.3Å; G276-V279 PolarHBondContact O-N 3.02Å; G276-I280 PolarHBondContact O-N 2.97Å
277	A	98.9	Very high	98.9	Very high	0 Å²	0	12.2 Å²	12.2	0%	0	6%	0.062	C	C	.	.	H	α-helix	trans	-66.8	-36.6	168.3	0	0	0	0	0	111.8	V222 S273 F274 I280 Q281 W298 P301 L302	V222-A277 HydrophobicContact CG2-CB 4.01Å; S273-A277 PolarHBondContact O-N 2.96Å; F274-A277 HydrophobicContact CD2-CB 4.41Å; F274-A277 WeakPolarHBondContact O-CB 3.44Å; F274-A277 PolarHBondContact O-N 2.81Å; F274-A277 VanDerWaalsContact O-N 3.09Å; A277-I280 PolarHBondContact O-N 2.85Å; A277-Q281 PolarHBondContact O-N 2.79Å; A277-W298 WeakPolarHBondContact CB-O 3.38Å; A277-P301 HydrophobicContact CB-CB 4.45Å; A277-P301 HydrophobicContact CB-CG 4.34Å; A277-L302 HydrophobicContact CB-CD1 4.24Å; A277-L302 HydrophobicContact CB-CD2 4.16Å; A277-L302 HydrophobicContact CB-CG 3.93Å; A277-L302 WeakPolarHBondContact O-CD2 3.36Å
278	T	98.9	Very high	98.9	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-67.1	-34	175.5	-75.6	0	0	0	0	113.2	S150 R225 F274 G275 G276 I280 Q281 T282	S150-T278 WeakPolarHBondContact OG-CG2 3.47Å; R225-T278 HydrophobicContact CB-CG2 3.76Å; R225-T278 WeakPolarHBondContact CB-OG1 3.43Å; R225-T278 WeakPolarHBondContact CD-OG1 3.4Å; R225-T278 PolarHBondContact NH1-OG1 3.27Å; F274-T278 PolarHBondContact O-N 2.67Å; G275-T278 CarbonylContact O-C 3.55Å; G275-T278 WeakPolarHBondContact O-CA 3.3Å; G275-T278 WeakPolarHBondContact O-CB 3.04Å; G275-T278 PolarHBondContact O-N 2.68Å; G275-T278 VanDerWaalsContact O-N 3.1Å; G276-T278 VanDerWaalsContact C-N 3.33Å; T278-I280 VanDerWaalsContact C-N 3.3Å; T278-I280 PolarHBondContact O-N 3.35Å; T278-Q281 PolarHBondContact O-N 3.14Å; T278-T282 WeakPolarHBondContact O-CB 3.39Å; T278-T282 PolarHBondContact O-N 2.95Å; T278-T282 PolarHBondContact O-OG1 2.86Å
279	V	98.9	Very high	98.9	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-51.5	-54	168.8	166.3	0	0	0	0	109.7	V269 I270 G275 G276 Q281 T282 L283 I293 A294 L314	V269-V279 HydrophobicContact CG1-CG1 4.19Å; V269-V279 HydrophobicContact CG2-CG2 4.09Å; I270-V279 VanDerWaalsContact C-CG2 3.42Å; G275-V279 WeakPolarHBondContact O-CG2 3.46Å; G275-V279 PolarHBondContact O-N 3.32Å; G276-V279 WeakPolarHBondContact O-CB 3.3Å; G276-V279 PolarHBondContact O-N 3.02Å; V279-Q281 PolarHBondContact O-N 3.48Å; V279-T282 PolarHBondContact O-N 2.97Å; V279-L283 HydrophobicContact CG1-CD1 4.11Å; V279-L283 VanDerWaalsContact O-CG 3.31Å; V279-L283 WeakPolarHBondContact O-CG 3.33Å; V279-L283 PolarHBondContact O-N 3.42Å; V279-I293 WeakPolarHBondContact CG2-O 3.4Å; V279-A294 HydrophobicContact CB-CB 4.46Å; V279-A294 HydrophobicContact CG1-CB 4.38Å; V279-L314 HydrophobicContact CG1-CD1 3.84Å
280	I	98.9	Very high	98.9	Very high	0 Å²	0	23 Å²	23	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-61.2	-47.8	-178.5	-69.6	160.5	0	0	0	112.1	G276 A277 T278 T282 L283 S284 M299 L302 V306 I310 L314 F316	G276-I280 PolarHBondContact O-N 2.97Å; A277-I280 PolarHBondContact O-N 2.85Å; T278-I280 VanDerWaalsContact C-N 3.3Å; T278-I280 PolarHBondContact O-N 3.35Å; I280-T282 VanDerWaalsContact C-N 3.32Å; I280-T282 PolarHBondContact O-N 2.87Å; I280-L283 PolarHBondContact O-N 3.14Å; I280-S284 PolarHBondContact O-N 3.38Å; I280-S284 VanDerWaalsContact O-N 3.11Å; I280-M299 HydrophobicContact CD1-CE 3.55Å; I280-M299 HydrophobicContact CD1-SD 3.61Å; I280-L302 HydrophobicContact CB-CD1 3.89Å; I280-L302 HydrophobicContact CB-CD2 4.38Å; I280-L302 HydrophobicContact CD1-CD1 3.65Å; I280-L302 HydrophobicContact CG1-CD1 4.4Å; I280-L302 HydrophobicContact CG2-CD1 3.62Å; I280-L302 HydrophobicContact CG2-CD2 4.11Å; I280-V306 HydrophobicContact CG2-CG1 3.92Å; I280-V306 HydrophobicContact CG2-CG2 3.96Å; I280-I310 HydrophobicContact CB-CD1 4.48Å; I280-I310 HydrophobicContact CG2-CD1 3.47Å; I280-I310 VanDerWaalsContact CG2-CD1 3.47Å; I280-I310 HydrophobicContact CG2-CG1 4.09Å; I280-L314 HydrophobicContact CD1-CD2 4.42Å; I280-L314 HydrophobicContact CG1-CD1 4.35Å; I280-L314 HydrophobicContact CG1-CD2 3.85Å; I280-F316 HydrophobicContact CD1-CE1 3.95Å; I280-F316 HydrophobicContact CD1-CZ 4.1Å
281	Q	98.9	Very high	98.9	Very high	4 Å²	4	23 Å²	23	2%	0.019	10%	0.102	C	C	.	.	H	α-helix	trans	-62.8	-40.8	179.1	-167.7	69.2	43.3	0	0	111.5	V222 A226 A277 T278 V279 S284 E285 L302	V222-Q281 HydrophobicContact CG1-CB 4.44Å; V222-Q281 HydrophobicContact CG1-CG 4.15Å; V222-Q281 HydrophobicContact CG2-CB 3.92Å; V222-Q281 HydrophobicContact CG2-CG 4.41Å; A226-Q281 HydrophobicContact CB-CB 4Å; A226-Q281 HydrophobicContact CB-CG 3.67Å; A277-Q281 PolarHBondContact O-N 2.79Å; T278-Q281 PolarHBondContact O-N 3.14Å; V279-Q281 PolarHBondContact O-N 3.48Å; Q281-S284 PolarHBondContact O-N 2.74Å; Q281-E285 PolarHBondContact NE2-OE1 3.44Å; Q281-E285 WeakPolarHBondContact O-CG 3.49Å; Q281-E285 PolarHBondContact O-N 2.59Å; Q281-E285 VanDerWaalsContact O-N 3.17Å; Q281-L302 HydrophobicContact CB-CD2 4.14Å
282	T	98.9	Very high	98.9	Very high	0 Å²	0	23 Å²	23	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-65.6	-46.9	179.4	-54.7	0	0	0	0	111.1	A226 C229 V269 T278 V279 I280 S284 E285 D286 F289	A226-T282 WeakPolarHBondContact CA-OG1 3.38Å; C229-T282 HydrophobicContact CB-CG2 3.98Å; V269-T282 HydrophobicContact CG1-CG2 4.47Å; V269-T282 HydrophobicContact CG2-CG2 4.47Å; T278-T282 WeakPolarHBondContact O-CB 3.39Å; T278-T282 PolarHBondContact O-N 2.95Å; T278-T282 PolarHBondContact O-OG1 2.86Å; V279-T282 PolarHBondContact O-N 2.97Å; I280-T282 VanDerWaalsContact C-N 3.32Å; I280-T282 PolarHBondContact O-N 2.87Å; T282-S284 PolarHBondContact O-N 3.4Å; T282-E285 PolarHBondContact O-N 3.48Å; T282-D286 PolarHBondContact O-N 3.41Å; T282-F289 HydrophobicContact CG2-CD2 3.54Å; T282-F289 HydrophobicContact CG2-CE2 3.34Å; T282-F289 HydrophobicContact CG2-CG 4.27Å; T282-F289 HydrophobicContact CG2-CZ 3.94Å
283	L	98.9	Very high	98.9	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-59.2	-38.1	176.8	-69.5	177.3	0	0	0	112	V269 V279 I280 E285 Q287 F289 I310 Q312 L314	V269-L283 HydrophobicContact CG1-CD2 3.8Å; V269-L283 HydrophobicContact CG1-CG 3.96Å; V279-L283 HydrophobicContact CG1-CD1 4.11Å; V279-L283 VanDerWaalsContact O-CG 3.31Å; V279-L283 WeakPolarHBondContact O-CG 3.33Å; V279-L283 PolarHBondContact O-N 3.42Å; I280-L283 PolarHBondContact O-N 3.14Å; L283-E285 VanDerWaalsContact C-N 3.3Å; L283-E285 PolarHBondContact O-N 3.23Å; L283-Q287 PolarHBondContact O-NE2 2.89Å; L283-F289 HydrophobicContact CD2-CB 3.73Å; L283-I310 HydrophobicContact CB-CG2 3.95Å; L283-I310 HydrophobicContact CD1-CG2 3.96Å; L283-Q312 HydrophobicContact CD2-CB 4.12Å; L283-Q312 HydrophobicContact CD2-CG 4.21Å; L283-Q312 PolarHBondContact O-NE2 2.73Å; L283-Q312 PolarHBondContact O-OE1 3.27Å; L283-L314 HydrophobicContact CD1-CD1 4.13Å
284	S	98.8	Very high	98.9	Very high	26 Å²	26	22.3 Å²	22.3	18%	0.182	10%	0.098	C	C	.	.	H	α-helix	trans	-69.2	-25.1	176.7	-179.9	0	0	0	0	113.8	I280 Q281 T282 R309	I280-S284 PolarHBondContact O-N 3.38Å; I280-S284 VanDerWaalsContact O-N 3.11Å; Q281-S284 PolarHBondContact O-N 2.74Å; T282-S284 PolarHBondContact O-N 3.4Å; S284-R309 WeakPolarHBondContact CA-O 3.34Å; S284-R309 VanDerWaalsContact OG-CB 3.3Å; S284-R309 WeakPolarHBondContact OG-CB 3.33Å; S284-R309 PolarHBondContact OG-O 3.08Å
285	E	98.7	Very high	98.9	Very high	90 Å²	90	22.4 Å²	22.4	42%	0.421	10%	0.098	S	C	.	.	H	α-helix	trans	-103.3	-24.2	-174	-71.2	-178.3	-173	0	0	113.2	Q281 T282 L283	Q281-E285 PolarHBondContact NE2-OE1 3.44Å; Q281-E285 WeakPolarHBondContact O-CG 3.49Å; Q281-E285 PolarHBondContact O-N 2.59Å; Q281-E285 VanDerWaalsContact O-N 3.17Å; T282-E285 PolarHBondContact O-N 3.48Å; L283-E285 VanDerWaalsContact C-N 3.3Å; L283-E285 PolarHBondContact O-N 3.23Å
286	D	98.8	Very high	98.9	Very high	15 Å²	15	22.4 Å²	22.4	8%	0.08	10%	0.098	C	C	.	.			trans	-137.2	106.9	-171.4	-168	-20.2	0	0	0	111.9	S230 T282 R288 F289 Q312	S230-D286 VanDerWaalsContact CB-OD2 3.24Å; S230-D286 WeakPolarHBondContact CB-OD2 3.17Å; S230-D286 WeakPolarHBondContact OG-CB 3.36Å; S230-D286 PolarHBondContact OG-OD2 2.95Å; T282-D286 PolarHBondContact O-N 3.41Å; D286-R288 PolarHBondContact O-N 2.75Å; D286-R288 WeakPolarHBondContact OD1-CB 3.49Å; D286-R288 WeakPolarHBondContact OD1-CG 3.41Å; D286-R288 IonicContact OD1-CZ 3.78Å; D286-R288 PolarHBondContact OD1-N 2.88Å; D286-R288 VanDerWaalsContact OD1-N 3.17Å; D286-R288 IonicContact OD1-NE 2.65Å; D286-R288 PolarHBondContact OD1-NE 3.26Å; D286-R288 IonicContact OD1-NH2 3.77Å; D286-R288 IonicContact OD2-CZ 2.73Å; D286-R288 IonicContact OD2-NE 3.07Å; D286-R288 PolarHBondContact OD2-NE 2.84Å; D286-R288 IonicContact OD2-NH2 3.39Å; D286-R288 PolarHBondContact OD2-NH2 3.24Å; D286-F289 HydrophobicContact CB-CD2 3.89Å; D286-F289 HydrophobicContact CB-CE2 4.14Å; D286-Q312 PolarHBondContact O-NE2 3.14Å
287	Q	98.4	Very high	98.9	Very high	105 Å²	105	22.4 Å²	22.4	49%	0.491	10%	0.098	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.5	-6.2	-174.4	-62.9	-58.1	-61.9	0	0	114.3	L283 F289	L283-Q287 PolarHBondContact O-NE2 2.89Å; Q287-F289 VanDerWaalsContact C-N 3.33Å
288	R	98.8	Very high	98.8	Very high	90 Å²	90	23.9 Å²	23.9	34%	0.34	10%	0.104	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.4	-29.7	176.8	-62.4	173.4	-64.8	169.7	1.2	111.9	L233 N234 D286 R290	L233-R288 HydrophobicContact CD2-CB 3.97Å; N234-R288 PolarHBondContact OD1-NH1 3.12Å; N234-R288 PolarHBondContact OD1-NH2 3.3Å; D286-R288 PolarHBondContact O-N 2.75Å; D286-R288 WeakPolarHBondContact OD1-CB 3.49Å; D286-R288 WeakPolarHBondContact OD1-CG 3.41Å; D286-R288 IonicContact OD1-CZ 3.78Å; D286-R288 PolarHBondContact OD1-N 2.88Å; D286-R288 VanDerWaalsContact OD1-N 3.17Å; D286-R288 IonicContact OD1-NE 2.65Å; D286-R288 PolarHBondContact OD1-NE 3.26Å; D286-R288 IonicContact OD1-NH2 3.77Å; D286-R288 IonicContact OD2-CZ 2.73Å; D286-R288 IonicContact OD2-NE 3.07Å; D286-R288 PolarHBondContact OD2-NE 2.84Å; D286-R288 IonicContact OD2-NH2 3.39Å; D286-R288 PolarHBondContact OD2-NH2 3.24Å; R288-R290 PolarHBondContact O-N 3.3Å
289	F	98.9	Very high	98.8	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	10%	0.104	C	C	.	.			trans	-68.2	123.1	168.2	-66.3	-80.7	0	0	0	108.7	V148 L233 I267 V269 T282 L283 D286 Q287 Q312	V148-F289 HydrophobicContact CB-CE1 3.87Å; V148-F289 HydrophobicContact CB-CZ 4.26Å; V148-F289 HydrophobicContact CG2-CE1 3.74Å; V148-F289 HydrophobicContact CG2-CZ 4Å; L233-F289 HydrophobicContact CB-CE2 4.5Å; L233-F289 HydrophobicContact CB-CZ 3.98Å; L233-F289 HydrophobicContact CD2-CD2 4.24Å; L233-F289 HydrophobicContact CD2-CE1 4.21Å; L233-F289 HydrophobicContact CD2-CE2 3.71Å; L233-F289 HydrophobicContact CD2-CZ 3.71Å; L233-F289 HydrophobicContact CG-CZ 4.4Å; I267-F289 HydrophobicContact CG2-CD1 3.6Å; I267-F289 HydrophobicContact CG2-CE1 3.74Å; I267-F289 HydrophobicContact CG2-CG 4.39Å; V269-F289 HydrophobicContact CB-CD1 3.65Å; V269-F289 HydrophobicContact CB-CE1 3.85Å; V269-F289 HydrophobicContact CB-CG 4.3Å; V269-F289 HydrophobicContact CG1-CB 4.31Å; V269-F289 HydrophobicContact CG1-CD1 3.98Å; V269-F289 HydrophobicContact CG1-CG 4.17Å; T282-F289 HydrophobicContact CG2-CD2 3.54Å; T282-F289 HydrophobicContact CG2-CE2 3.34Å; T282-F289 HydrophobicContact CG2-CG 4.27Å; T282-F289 HydrophobicContact CG2-CZ 3.94Å; L283-F289 HydrophobicContact CD2-CB 3.73Å; D286-F289 HydrophobicContact CB-CD2 3.89Å; D286-F289 HydrophobicContact CB-CE2 4.14Å; Q287-F289 VanDerWaalsContact C-N 3.33Å; F289-Q312 VanDerWaalsContact O-CG 3.3Å; F289-Q312 WeakPolarHBondContact O-CG 3.32Å; F289-Q312 PolarHBondContact O-NE2 3.1Å
290	R	98.9	Very high	98.8	Very high	139 Å²	139	25.9 Å²	25.9	53%	0.525	11%	0.114	S	C	.	.			trans	-90.7	-27.3	-171.8	-60.7	-59.9	-62.1	175.2	-3.2	113.6	E265 I267 R288 Q312 P313 L396	E265-R290 VanDerWaalsContact O-CG 3.26Å; E265-R290 WeakPolarHBondContact O-CG 3.07Å; I267-R290 PolarHBondContact O-N 3.41Å; R288-R290 PolarHBondContact O-N 3.3Å; R290-Q312 WeakPolarHBondContact O-CB 3.46Å; R290-P313 WeakPolarHBondContact O-CD 3.09Å; R290-L396 HydrophobicContact CB-CD2 3.56Å; R290-L396 HydrophobicContact CG-CD2 4.2Å
291	C	98.9	Very high	98.7	Very high	0 Å²	0	26 Å²	26	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.5	168.7	172.9	65.3	0	0	0	0	110	A268 V269 P313 F391 H395	A268-C291 WeakPolarHBondContact CA-O 3.24Å; V269-C291 PolarHBondContact N-O 2.83Å; C291-P313 WeakPolarHBondContact CA-O 3.28Å; C291-P313 HydrophobicContact CB-CB 4.13Å; C291-F391 HydrophobicContact CB-CE1 4Å; C291-H395 HydrophobicContact CB-CB 3.8Å
292	G	98.9	Very high	98.7	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	156.4	172.5	0	0	0	0	0	114.8	V269 P313 L314 F315	V269-G292 CarbonylContact O-C 3.55Å; V269-G292 WeakPolarHBondContact O-CA 3.24Å; G292-P313 PolarHBondContact N-O 3.07Å; G292-L314 WeakPolarHBondContact O-CA 3.39Å; G292-F315 PolarHBondContact O-N 3.49Å
293	I	99	Very high	98.6	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	117.2	-178.8	-51.4	-178.9	0	0	0	108.8	V269 I270 G271 V279 L295 F315 I317 F391 L392	V269-I293 PolarHBondContact O-N 2.77Å; I270-I293 WeakPolarHBondContact CA-O 3.5Å; I270-I293 HydrophobicContact CD1-CB 4.38Å; I270-I293 HydrophobicContact CD1-CD1 4Å; I270-I293 HydrophobicContact CD1-CG1 4.42Å; I270-I293 HydrophobicContact CG1-CB 4.01Å; I270-I293 HydrophobicContact CG1-CD1 4.42Å; I270-I293 HydrophobicContact CG1-CG1 4.3Å; I270-I293 HydrophobicContact CG2-CB 4.24Å; G271-I293 PolarHBondContact N-O 3.37Å; G271-I293 VanDerWaalsContact N-O 3.14Å; V279-I293 WeakPolarHBondContact CG2-O 3.4Å; I293-L295 HydrophobicContact CG2-CD2 3.77Å; I293-F315 CarbonylContact C-O 3.09Å; I293-F315 WeakPolarHBondContact CA-O 3.44Å; I293-F315 HydrophobicContact CG1-CB 4.26Å; I293-F315 HydrophobicContact CG2-CB 4.32Å; I293-F315 HydrophobicContact CG2-CD1 4.29Å; I293-I317 HydrophobicContact CG2-CD1 3.84Å; I293-I317 HydrophobicContact CG2-CG1 4.11Å; I293-F391 HydrophobicContact CD1-CB 4.43Å; I293-F391 HydrophobicContact CD1-CD1 3.91Å; I293-F391 HydrophobicContact CG1-CD1 3.76Å; I293-F391 HydrophobicContact CG1-CE1 4.16Å; I293-L392 HydrophobicContact CD1-CD2 4.27Å; I293-L392 HydrophobicContact CD1-CG 4.02Å
294	A	98.9	Very high	98.4	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	101	-177.9	0	0	0	0	0	109.5	V279 D296 A297 L314 F315 F316 I317	V279-A294 HydrophobicContact CB-CB 4.46Å; V279-A294 HydrophobicContact CG1-CB 4.38Å; A294-D296 PolarHBondContact O-N 3.12Å; A294-A297 HydrophobicContact CB-CB 3.89Å; A294-L314 HydrophobicContact CB-CD1 4.31Å; A294-F315 PolarHBondContact N-O 2.72Å; A294-F316 HydrophobicContact CB-CD1 3.91Å; A294-F316 HydrophobicContact CB-CE1 4.09Å; A294-I317 PolarHBondContact O-N 3.09Å; A294-I317 VanDerWaalsContact O-N 3.14Å
295	L	98.9	Very high	98.2	Very high	1 Å²	1	33.8 Å²	33.8	1%	0.005	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	110.5	179.9	-50.9	176.7	0	0	0	108.9	F149 I163 I270 G271 H272 S273 I293 A297 I317 F354	F149-L295 HydrophobicContact CE2-CD1 4.26Å; I163-L295 HydrophobicContact CD1-CD1 3.6Å; I270-L295 HydrophobicContact CG2-CD1 3.97Å; I270-L295 HydrophobicContact CG2-CG 4.14Å; G271-L295 PolarHBondContact O-N 2.98Å; H272-L295 CarbonylContact C-O 3.6Å; H272-L295 VanDerWaalsContact CA-O 3.23Å; H272-L295 WeakPolarHBondContact CA-O 3.41Å; H272-L295 HydrophobicContact CB-CB 4.16Å; H272-L295 PolarHBondContact CD2-O 2.92Å; H272-L295 VanDerWaalsContact CD2-O 3.3Å; S273-L295 PolarHBondContact N-O 3.21Å; I293-L295 HydrophobicContact CG2-CD2 3.77Å; L295-A297 VanDerWaalsContact C-N 3.3Å; L295-A297 PolarHBondContact O-N 2.91Å; L295-I317 CarbonylContact C-O 3.59Å; L295-I317 WeakPolarHBondContact CA-O 3.32Å; L295-I317 HydrophobicContact CD2-CB 3.87Å; L295-I317 HydrophobicContact CD2-CD1 3.9Å; L295-I317 HydrophobicContact CD2-CG1 4.21Å; L295-F354 HydrophobicContact CB-CD1 4.04Å; L295-F354 HydrophobicContact CB-CE1 4.37Å; L295-F354 HydrophobicContact CB-CG 4.25Å; L295-F354 HydrophobicContact CD1-CD1 4.29Å; L295-F354 HydrophobicContact CD2-CD1 4.36Å; L295-F354 HydrophobicContact CD2-CE1 4.33Å; L295-F354 HydrophobicContact CG-CD1 4.46Å
296	D	98.6	Very high	98.1	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	50.2	49.3	176.8	-142	21.9	0	0	0	113	S273 A294 W298 I317 S319 F322 Q323 H351 F354	S273-D296 WeakPolarHBondContact CA-O 3.39Å; A294-D296 PolarHBondContact O-N 3.12Å; D296-W298 PolarHBondContact O-N 3.43Å; D296-I317 PolarHBondContact N-O 3.17Å; D296-S319 VanDerWaalsContact CG-N 3.35Å; D296-S319 PolarHBondContact OD1-N 3.15Å; D296-S319 PolarHBondContact OD1-OG 2.88Å; D296-S319 WeakPolarHBondContact OD2-CB 3.27Å; D296-S319 PolarHBondContact OD2-OG 3.22Å; D296-F322 HydrophobicContact CB-CD1 4.33Å; D296-F322 WeakPolarHBondContact O-CE1 3.45Å; D296-F322 WeakPolarHBondContact OD1-CD1 3.44Å; D296-F322 WeakPolarHBondContact OD2-CB 3.42Å; D296-F322 VanDerWaalsContact OD2-CD1 3.29Å; D296-F322 WeakPolarHBondContact OD2-CD1 3.26Å; D296-F322 WeakPolarHBondContact OD2-CG 3.45Å; D296-Q323 PolarHBondContact OD1-NE2 2.94Å; D296-H351 WeakPolarHBondContact OD2-CA 3.42Å; D296-H351 IonicContact OD2-CE1 3.54Å; D296-H351 IonicContact OD2-CG 3.57Å; D296-H351 IonicContact OD2-ND1 3.64Å; D296-H351 PolarHBondContact OD2-ND1 3.18Å; D296-F354 HydrophobicContact CB-CD2 3.86Å; D296-F354 HydrophobicContact CB-CE2 3.61Å; D296-F354 HydrophobicContact CB-CZ 4.49Å
297	A	98.8	Very high	98	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	13%	0.134	C	C	.	.			trans	-58.7	131.1	-166.3	0	0	0	0	0	112.4	A294 L295 M299 F316 N327 M331	A294-A297 HydrophobicContact CB-CB 3.89Å; L295-A297 VanDerWaalsContact C-N 3.3Å; L295-A297 PolarHBondContact O-N 2.91Å; A297-M299 HydrophobicContact CB-SD 3.72Å; A297-M299 PolarHBondContact O-N 2.78Å; A297-F316 HydrophobicContact CB-CD1 4.38Å; A297-F316 HydrophobicContact CB-CE1 4.36Å; A297-N327 PolarHBondContact O-ND2 3.31Å; A297-M331 HydrophobicContact CB-CE 4.11Å; A297-M331 WeakPolarHBondContact O-CE 3.48Å
298	W	98.7	Very high	97.7	Very high	31 Å²	31	28.5 Å²	28.5	12%	0.117	14%	0.14	C	C	.	.			trans	-91	102	170.4	178.7	45	0	0	0	109.2	L153 R218 S273 F274 A277 D296 L300 P301 F322	L153-W298 HydrophobicContact CD2-CH2 4.46Å; L153-W298 HydrophobicContact CD2-CZ3 4.18Å; R218-W298 HydrophobicContact CG-CH2 4.05Å; R218-W298 HydrophobicContact CG-CZ3 4.48Å; S273-W298 PolarHBondContact O-N 3Å; F274-W298 HydrophobicContact CB-CE3 4.2Å; F274-W298 HydrophobicContact CD1-CE3 4.4Å; F274-W298 HydrophobicContact CD1-CZ3 4.12Å; F274-W298 HydrophobicContact CD2-CE3 4.5Å; F274-W298 HydrophobicContact CE1-CZ3 4.37Å; F274-W298 HydrophobicContact CG-CE3 4.14Å; F274-W298 HydrophobicContact CG-CZ3 4.3Å; A277-W298 WeakPolarHBondContact CB-O 3.38Å; D296-W298 PolarHBondContact O-N 3.43Å; W298-L300 VanDerWaalsContact C-N 3.32Å; W298-L300 HydrophobicContact CD2-CB 4.29Å; W298-L300 HydrophobicContact CH2-CD2 4.14Å; W298-L300 HydrophobicContact CZ2-CB 3.85Å; W298-L300 HydrophobicContact CZ2-CD1 4.41Å; W298-L300 HydrophobicContact CZ2-CD2 3.69Å; W298-L300 HydrophobicContact CZ2-CG 4.18Å; W298-L300 PolarHBondContact O-N 2.62Å; W298-P301 HydrophobicContact CD2-CG 4.29Å; W298-P301 HydrophobicContact CE3-CG 3.8Å; W298-P301 HydrophobicContact CZ3-CG 3.96Å; W298-P301 WeakPolarHBondContact O-CD 3.42Å; W298-F322 HydrophobicContact CB-CZ 4.29Å
299	M	98.6	Very high	97.6	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	15%	0.151	C	C	.	.			trans	-83.5	-4.5	-166.5	-55.4	-67	-73.8	0	0	114	I280 A297 P301 L302 Y307 F316 N327 K330 M331	I280-M299 HydrophobicContact CD1-CE 3.55Å; I280-M299 HydrophobicContact CD1-SD 3.61Å; A297-M299 HydrophobicContact CB-SD 3.72Å; A297-M299 PolarHBondContact O-N 2.78Å; M299-P301 VanDerWaalsContact C-CD 3.4Å; M299-L302 HydrophobicContact CE-CD1 3.81Å; M299-L302 PolarHBondContact O-N 3.1Å; M299-L302 HydrophobicContact SD-CD1 4.15Å; M299-Y307 HydrophobicContact CE-CE1 3.82Å; M299-F316 HydrophobicContact CE-CE1 4.4Å; M299-F316 HydrophobicContact SD-CE1 4.18Å; M299-N327 VanDerWaalsContact CB-OD1 3.23Å; M299-N327 WeakPolarHBondContact CB-OD1 3.48Å; M299-N327 WeakPolarHBondContact CG-OD1 3.19Å; M299-N327 PolarHBondContact N-OD1 3.36Å; M299-K330 HydrophobicContact CB-CB 3.63Å; M299-K330 HydrophobicContact CB-CD 3.69Å; M299-K330 HydrophobicContact CB-CG 4.32Å; M299-K330 HydrophobicContact CE-CB 4.1Å; M299-K330 HydrophobicContact CG-CB 4.08Å; M299-K330 PolarHBondContact O-NZ 3.41Å; M299-M331 HydrophobicContact CE-CG 4.09Å; M299-M331 HydrophobicContact CG-CE 4.26Å; M299-M331 HydrophobicContact CG-CG 3.86Å; M299-M331 HydrophobicContact SD-CG 3.98Å
300	L	97.6	Very high	97.6	Very high	43 Å²	43	31.5 Å²	31.5	23%	0.225	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.7	-42.7	179.8	-173.6	133.1	0	0	0	114.5	E214 R218 W298 L302	E214-L300 HydrophobicContact CG-CD2 4.17Å; R218-L300 HydrophobicContact CB-CD2 4.26Å; R218-L300 HydrophobicContact CG-CD2 4.08Å; W298-L300 VanDerWaalsContact C-N 3.32Å; W298-L300 HydrophobicContact CD2-CB 4.29Å; W298-L300 HydrophobicContact CH2-CD2 4.14Å; W298-L300 HydrophobicContact CZ2-CB 3.85Å; W298-L300 HydrophobicContact CZ2-CD1 4.41Å; W298-L300 HydrophobicContact CZ2-CD2 3.69Å; W298-L300 HydrophobicContact CZ2-CG 4.18Å; W298-L300 PolarHBondContact O-N 2.62Å; L300-L302 PolarHBondContact O-N 3.46Å
301	P	98.4	Very high	97.5	Very high	1 Å²	1	28.1 Å²	28.1	1%	0.006	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67	-17.8	-176.1	-23.1	36.6	0	0	0	115.3	R218 N219 V222 F274 A277 W298 M299	R218-P301 HydrophobicContact CB-CB 3.94Å; R218-P301 HydrophobicContact CB-CG 4.13Å; N219-P301 WeakPolarHBondContact CA-O 3.13Å; N219-P301 WeakPolarHBondContact CB-O 3.26Å; N219-P301 PolarHBondContact ND2-O 3.08Å; V222-P301 HydrophobicContact CB-CB 3.91Å; V222-P301 HydrophobicContact CG1-CB 4.27Å; V222-P301 WeakPolarHBondContact CG1-O 3.37Å; V222-P301 HydrophobicContact CG2-CB 4.32Å; F274-P301 HydrophobicContact CD2-CB 4.16Å; F274-P301 HydrophobicContact CD2-CG 3.62Å; F274-P301 HydrophobicContact CE2-CB 3.43Å; F274-P301 VanDerWaalsContact CE2-CB 3.43Å; F274-P301 HydrophobicContact CE2-CG 3.3Å; F274-P301 HydrophobicContact CG-CG 4.46Å; F274-P301 HydrophobicContact CZ-CB 4.05Å; F274-P301 HydrophobicContact CZ-CG 3.9Å; A277-P301 HydrophobicContact CB-CB 4.45Å; A277-P301 HydrophobicContact CB-CG 4.34Å; W298-P301 HydrophobicContact CD2-CG 4.29Å; W298-P301 HydrophobicContact CE3-CG 3.8Å; W298-P301 HydrophobicContact CZ3-CG 3.96Å; W298-P301 WeakPolarHBondContact O-CD 3.42Å; M299-P301 VanDerWaalsContact C-CD 3.4Å
302	L	98.4	Very high	97.5	Very high	10 Å²	10	28.8 Å²	28.8	5%	0.052	15%	0.151	C	C	.	.			trans	-79.4	135.7	-174.2	-66.8	175.7	0	0	0	111.9	V222 A277 I280 Q281 M299 L300 V306 Y307	V222-L302 HydrophobicContact CG1-CD2 4.33Å; V222-L302 HydrophobicContact CG2-CD2 4.18Å; A277-L302 HydrophobicContact CB-CD1 4.24Å; A277-L302 HydrophobicContact CB-CD2 4.16Å; A277-L302 HydrophobicContact CB-CG 3.93Å; A277-L302 WeakPolarHBondContact O-CD2 3.36Å; I280-L302 HydrophobicContact CB-CD1 3.89Å; I280-L302 HydrophobicContact CB-CD2 4.38Å; I280-L302 HydrophobicContact CD1-CD1 3.65Å; I280-L302 HydrophobicContact CG1-CD1 4.4Å; I280-L302 HydrophobicContact CG2-CD1 3.62Å; I280-L302 HydrophobicContact CG2-CD2 4.11Å; Q281-L302 HydrophobicContact CB-CD2 4.14Å; M299-L302 HydrophobicContact CE-CD1 3.81Å; M299-L302 PolarHBondContact O-N 3.1Å; M299-L302 HydrophobicContact SD-CD1 4.15Å; L300-L302 PolarHBondContact O-N 3.46Å; L302-V306 HydrophobicContact CB-CG1 3.96Å; L302-V306 HydrophobicContact CD1-CG1 4.21Å; L302-V306 HydrophobicContact CD2-CG1 4.11Å; L302-V306 HydrophobicContact CG-CG1 4.31Å; L302-Y307 HydrophobicContact CB-CE1 4.27Å; L302-Y307 HydrophobicContact CD1-CE1 4.01Å
303	G	96.6	Very high	97.5	Very high	14 Å²	14	30 Å²	30	14%	0.144	16%	0.158	C	C	.	.			trans	-76.4	149.2	168.1	0	0	0	0	0	110.7	N219 E305 V306	N219-G303 PolarHBondContact ND2-N 2.72Å; G303-E305 VanDerWaalsContact CA-OE2 3.27Å; G303-E305 WeakPolarHBondContact CA-OE2 3.49Å; G303-E305 PolarHBondContact O-N 3.32Å; G303-E305 VanDerWaalsContact O-N 3.14Å; G303-V306 VanDerWaalsContact O-CG1 3.26Å; G303-V306 WeakPolarHBondContact O-CG1 3.41Å; G303-V306 PolarHBondContact O-N 3.19Å
304	D	95.6	Very high	97.5	Very high	103 Å²	103	30 Å²	30	55%	0.551	16%	0.158	S	C	*	.	G	3₁₀ helix	trans	-60.6	-24.8	-176.7	-82.2	-41.4	0	0	0	113.1	V306 Y307 K333	D304-V306 PolarHBondContact O-N 3.43Å; D304-Y307 HydrophobicContact CB-CD2 4.5Å; D304-Y307 HydrophobicContact CB-CE2 4.43Å; D304-Y307 VanDerWaalsContact O-CD2 3.31Å; D304-Y307 WeakPolarHBondContact O-CD2 3.45Å; D304-Y307 VanDerWaalsContact OD1-CE2 3.31Å; D304-Y307 WeakPolarHBondContact OD1-CE2 3.47Å; D304-K333 IonicContact OD1-NZ 2.69Å; D304-K333 PolarHBondContact OD1-NZ 2.96Å
305	E	94.8	Very high	97.5	Very high	68 Å²	68	30 Å²	30	32%	0.318	16%	0.158	S	C	.	.	G	3₁₀ helix	trans	-66.5	-19.6	179.7	75.3	-75	179.8	0	0	114.1	R223 G303 R309	R223-E305 IonicContact CZ-OE1 2.68Å; R223-E305 IonicContact NH1-OE1 3.07Å; R223-E305 IonicContact NH2-OE1 3.8Å; R223-E305 PolarHBondContact NH2-OE1 2.86Å; G303-E305 VanDerWaalsContact CA-OE2 3.27Å; G303-E305 WeakPolarHBondContact CA-OE2 3.49Å; G303-E305 PolarHBondContact O-N 3.32Å; G303-E305 VanDerWaalsContact O-N 3.14Å; E305-R309 VanDerWaalsContact O-CD 3.29Å; E305-R309 WeakPolarHBondContact O-CD 3.23Å; E305-R309 WeakPolarHBondContact O-CG 3.2Å; E305-R309 PolarHBondContact O-NE 3.48Å
306	V	96.6	Very high	97.5	Very high	1 Å²	1	29.9 Å²	29.9	1%	0.006	16%	0.158	C	C	.	.	G	3₁₀ helix	trans	-75.8	-29.7	-175.6	82.5	0	0	0	0	112.2	I280 L302 G303 D304 S308 R309 I310	I280-V306 HydrophobicContact CG2-CG1 3.92Å; I280-V306 HydrophobicContact CG2-CG2 3.96Å; L302-V306 HydrophobicContact CB-CG1 3.96Å; L302-V306 HydrophobicContact CD1-CG1 4.21Å; L302-V306 HydrophobicContact CD2-CG1 4.11Å; L302-V306 HydrophobicContact CG-CG1 4.31Å; G303-V306 VanDerWaalsContact O-CG1 3.26Å; G303-V306 WeakPolarHBondContact O-CG1 3.41Å; G303-V306 PolarHBondContact O-N 3.19Å; D304-V306 PolarHBondContact O-N 3.43Å; V306-S308 VanDerWaalsContact C-N 3.26Å; V306-S308 PolarHBondContact O-N 3.16Å; V306-R309 PolarHBondContact O-N 2.58Å; V306-I310 WeakPolarHBondContact O-CG1 3.46Å
307	Y	95.3	Very high	97.5	Very high	10 Å²	10	29.9 Å²	29.9	4%	0.039	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-30.9	-167.8	-60.1	-52.6	0	0	0	113	M299 L302 D304 K330 K333 C334	M299-Y307 HydrophobicContact CE-CE1 3.82Å; L302-Y307 HydrophobicContact CB-CE1 4.27Å; L302-Y307 HydrophobicContact CD1-CE1 4.01Å; D304-Y307 HydrophobicContact CB-CD2 4.5Å; D304-Y307 HydrophobicContact CB-CE2 4.43Å; D304-Y307 VanDerWaalsContact O-CD2 3.31Å; D304-Y307 WeakPolarHBondContact O-CD2 3.45Å; D304-Y307 VanDerWaalsContact OD1-CE2 3.31Å; D304-Y307 WeakPolarHBondContact OD1-CE2 3.47Å; Y307-K330 HydrophobicContact CE1-CB 4.33Å; Y307-K330 WeakPolarHBondContact OH-CD 3.45Å; Y307-K333 HydrophobicContact CD1-CB 4.26Å; Y307-K333 HydrophobicContact CD2-CB 3.88Å; Y307-K333 HydrophobicContact CD2-CD 3.61Å; Y307-K333 HydrophobicContact CD2-CG 4.43Å; Y307-K333 HydrophobicContact CE2-CB 4.5Å; Y307-K333 HydrophobicContact CE2-CD 3.75Å; Y307-K333 HydrophobicContact CG-CB 3.75Å; Y307-K333 HydrophobicContact CG-CD 4.35Å; Y307-C334 VanDerWaalsContact CD1-SG 3.55Å
308	S	93.1	Very high	97.5	Very high	88 Å²	88	29.9 Å²	29.9	62%	0.615	16%	0.158	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.2	-9.7	175.6	58.4	0	0	0	0	114	V306 K339	V306-S308 VanDerWaalsContact C-N 3.26Å; V306-S308 PolarHBondContact O-N 3.16Å; S308-K339 PolarHBondContact O-NZ 3.15Å
309	R	96.4	Very high	97.5	Very high	152 Å²	152	28.4 Å²	28.4	57%	0.574	15%	0.152	S	C	*	.			trans	-105.8	19.3	-168.6	-64.1	-178.8	-175.9	179.6	1.6	115	S284 E305 V306 P311	S284-R309 WeakPolarHBondContact CA-O 3.34Å; S284-R309 VanDerWaalsContact OG-CB 3.3Å; S284-R309 WeakPolarHBondContact OG-CB 3.33Å; S284-R309 PolarHBondContact OG-O 3.08Å; E305-R309 VanDerWaalsContact O-CD 3.29Å; E305-R309 WeakPolarHBondContact O-CD 3.23Å; E305-R309 WeakPolarHBondContact O-CG 3.2Å; E305-R309 PolarHBondContact O-NE 3.48Å; V306-R309 PolarHBondContact O-N 2.58Å; R309-P311 WeakPolarHBondContact O-CD 3.12Å
310	I	97.7	Very high	97.5	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	16%	0.162	C	C	.	.			trans	-106.3	94.6	178.4	-52.1	149.6	0	0	0	107.8	I280 L283 V306 L314 C334 K339 R341	I280-I310 HydrophobicContact CB-CD1 4.48Å; I280-I310 HydrophobicContact CG2-CD1 3.47Å; I280-I310 VanDerWaalsContact CG2-CD1 3.47Å; I280-I310 HydrophobicContact CG2-CG1 4.09Å; L283-I310 HydrophobicContact CB-CG2 3.95Å; L283-I310 HydrophobicContact CD1-CG2 3.96Å; V306-I310 WeakPolarHBondContact O-CG1 3.46Å; I310-L314 HydrophobicContact CD1-CD2 4.47Å; I310-C334 HydrophobicContact CD1-CB 4.4Å; I310-K339 VanDerWaalsContact O-CD 3.27Å; I310-K339 WeakPolarHBondContact O-CD 3.49Å; I310-K339 WeakPolarHBondContact O-CE 3.34Å; I310-K339 PolarHBondContact O-NZ 3.03Å; I310-R341 PolarHBondContact O-NH2 3.28Å
311	P	97.2	Very high	97.5	Very high	69 Å²	69	34.5 Å²	34.5	45%	0.448	18%	0.175	S	C	.	.			trans	-75.6	-28	178.8	26.5	-33.7	0	0	0	113.4	R309	R309-P311 WeakPolarHBondContact O-CD 3.12Å
312	Q	98.7	Very high	97.5	Very high	13 Å²	13	36.8 Å²	36.8	6%	0.061	19%	0.185	C	C	.	.	S	Bend	trans	-74.5	157.5	-174.3	-57.1	98.9	-39.2	0	0	113.1	L283 D286 F289 R290 R341	L283-Q312 HydrophobicContact CD2-CB 4.12Å; L283-Q312 HydrophobicContact CD2-CG 4.21Å; L283-Q312 PolarHBondContact O-NE2 2.73Å; L283-Q312 PolarHBondContact O-OE1 3.27Å; D286-Q312 PolarHBondContact O-NE2 3.14Å; F289-Q312 VanDerWaalsContact O-CG 3.3Å; F289-Q312 WeakPolarHBondContact O-CG 3.32Å; F289-Q312 PolarHBondContact O-NE2 3.1Å; R290-Q312 WeakPolarHBondContact O-CB 3.46Å; Q312-R341 PolarHBondContact O-NH1 3.25Å
313	P	98.9	Very high	97.4	Very high	25 Å²	25	37.1 Å²	37.1	16%	0.162	19%	0.186	C	C	.	.			trans	-54.6	136.5	167.2	-25.6	35.2	0	0	0	112.5	R290 C291 G292 E340 F391 H395	R290-P313 WeakPolarHBondContact O-CD 3.09Å; C291-P313 WeakPolarHBondContact CA-O 3.28Å; C291-P313 HydrophobicContact CB-CB 4.13Å; G292-P313 PolarHBondContact N-O 3.07Å; P313-E340 WeakPolarHBondContact CA-O 3.33Å; P313-E340 HydrophobicContact CB-CB 4.01Å; P313-E340 HydrophobicContact CB-CG 4.07Å; P313-E340 HydrophobicContact CG-CB 4.14Å; P313-E340 HydrophobicContact CG-CG 4.49Å; P313-F391 HydrophobicContact CB-CE1 4.47Å; P313-F391 HydrophobicContact CB-CZ 3.75Å; P313-H395 HydrophobicContact CB-CB 4.3Å; P313-H395 HydrophobicContact CG-CB 4.19Å
314	L	98.9	Very high	97.5	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	126.7	-178.9	174.5	65	0	0	0	110.8	V279 I280 L283 G292 A294 I310 F316 C334 E340 R341 K342	V279-L314 HydrophobicContact CG1-CD1 3.84Å; I280-L314 HydrophobicContact CD1-CD2 4.42Å; I280-L314 HydrophobicContact CG1-CD1 4.35Å; I280-L314 HydrophobicContact CG1-CD2 3.85Å; L283-L314 HydrophobicContact CD1-CD1 4.13Å; G292-L314 WeakPolarHBondContact O-CA 3.39Å; A294-L314 HydrophobicContact CB-CD1 4.31Å; I310-L314 HydrophobicContact CD1-CD2 4.47Å; L314-F316 HydrophobicContact CD2-CE1 4.35Å; L314-F316 HydrophobicContact CD2-CE2 3.63Å; L314-F316 HydrophobicContact CD2-CZ 3.49Å; L314-F316 VanDerWaalsContact CD2-CZ 3.49Å; L314-F316 HydrophobicContact CG-CD2 4.45Å; L314-F316 HydrophobicContact CG-CE2 3.91Å; L314-F316 HydrophobicContact CG-CZ 4.07Å; L314-C334 HydrophobicContact CD2-CB 4.34Å; L314-E340 PolarHBondContact N-O 3.34Å; L314-R341 WeakPolarHBondContact O-CA 3.42Å; L314-K342 PolarHBondContact O-N 3.22Å
315	F	98.9	Very high	97.6	Very high	0 Å²	0	38 Å²	38	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	129.6	177.8	-169	-165	0	0	0	111.4	G292 I293 A294 I317 K342 I344 A387 F391 I409	G292-F315 PolarHBondContact O-N 3.49Å; I293-F315 CarbonylContact C-O 3.09Å; I293-F315 WeakPolarHBondContact CA-O 3.44Å; I293-F315 HydrophobicContact CG1-CB 4.26Å; I293-F315 HydrophobicContact CG2-CB 4.32Å; I293-F315 HydrophobicContact CG2-CD1 4.29Å; A294-F315 PolarHBondContact N-O 2.72Å; F315-I317 HydrophobicContact CD1-CD1 3.91Å; F315-I317 HydrophobicContact CD1-CG1 3.89Å; F315-I317 HydrophobicContact CD2-CG1 4.33Å; F315-I317 HydrophobicContact CE1-CD1 3.64Å; F315-I317 HydrophobicContact CE1-CG1 3.7Å; F315-I317 HydrophobicContact CE2-CG1 4.18Å; F315-I317 HydrophobicContact CG-CG1 4.21Å; F315-I317 HydrophobicContact CZ-CD1 4.21Å; F315-I317 HydrophobicContact CZ-CG1 3.86Å; F315-K342 HydrophobicContact CD2-CB 3.41Å; F315-K342 VanDerWaalsContact CD2-CB 3.41Å; F315-K342 WeakPolarHBondContact CD2-O 3.29Å; F315-K342 HydrophobicContact CE2-CB 3.71Å; F315-K342 HydrophobicContact CG-CB 4.23Å; F315-I344 HydrophobicContact CE1-CD1 4.5Å; F315-I344 HydrophobicContact CE2-CB 4.46Å; F315-I344 HydrophobicContact CE2-CD1 4.3Å; F315-I344 HydrophobicContact CE2-CG1 3.84Å; F315-I344 HydrophobicContact CE2-CG2 4.12Å; F315-I344 HydrophobicContact CZ-CD1 3.66Å; F315-I344 HydrophobicContact CZ-CG1 3.71Å; F315-I344 HydrophobicContact CZ-CG2 4.23Å; F315-A387 HydrophobicContact CE1-CB 3.96Å; F315-A387 HydrophobicContact CZ-CB 4.25Å; F315-F391 HydrophobicContact CB-CD1 3.87Å; F315-F391 HydrophobicContact CB-CD2 3.79Å; F315-F391 HydrophobicContact CB-CE1 3.75Å; F315-F391 HydrophobicContact CB-CE2 3.69Å; F315-F391 HydrophobicContact CB-CG 3.89Å; F315-F391 HydrophobicContact CB-CZ 3.67Å; F315-F391 HydrophobicContact CD1-CB 3.76Å; F315-F391 HydrophobicContact CD1-CD1 4.3Å; F315-F391 AromaticContact CD1-CD2 3.93Å; F315-F391 HydrophobicContact CD1-CD2 3.93Å; F315-F391 AromaticContact CD1-CG 3.73Å; F315-F391 HydrophobicContact CD1-CG 3.73Å; F315-F391 HydrophobicContact CE1-CB 4.23Å; F315-F391 AromaticContact CG-CD2 3.97Å; F315-F391 HydrophobicContact CG-CD2 3.97Å; F315-F391 HydrophobicContact CG-CE2 4.27Å; F315-F391 HydrophobicContact CG-CG 4.11Å; F315-I409 HydrophobicContact CE2-CG2 4.44Å; F315-I409 HydrophobicContact CZ-CG2 4.23Å
316	F	98.9	Very high	97.7	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	122	171.3	-65.6	-83.1	0	0	0	110.5	I280 A294 A297 M299 L314 M331 C334 Y335 K342 M343 I344	I280-F316 HydrophobicContact CD1-CE1 3.95Å; I280-F316 HydrophobicContact CD1-CZ 4.1Å; A294-F316 HydrophobicContact CB-CD1 3.91Å; A294-F316 HydrophobicContact CB-CE1 4.09Å; A297-F316 HydrophobicContact CB-CD1 4.38Å; A297-F316 HydrophobicContact CB-CE1 4.36Å; M299-F316 HydrophobicContact CE-CE1 4.4Å; M299-F316 HydrophobicContact SD-CE1 4.18Å; L314-F316 HydrophobicContact CD2-CE1 4.35Å; L314-F316 HydrophobicContact CD2-CE2 3.63Å; L314-F316 HydrophobicContact CD2-CZ 3.49Å; L314-F316 VanDerWaalsContact CD2-CZ 3.49Å; L314-F316 HydrophobicContact CG-CD2 4.45Å; L314-F316 HydrophobicContact CG-CE2 3.91Å; L314-F316 HydrophobicContact CG-CZ 4.07Å; F316-M331 HydrophobicContact CB-SD 4.37Å; F316-M331 HydrophobicContact CD1-CB 4.41Å; F316-M331 HydrophobicContact CD1-CE 4.28Å; F316-M331 HydrophobicContact CD1-CG 3.94Å; F316-M331 HydrophobicContact CD1-SD 3.69Å; F316-M331 HydrophobicContact CE1-CB 4.1Å; F316-M331 HydrophobicContact CE1-CG 3.73Å; F316-M331 HydrophobicContact CE1-SD 4.12Å; F316-M331 HydrophobicContact CE2-CB 4.28Å; F316-M331 HydrophobicContact CG-SD 4.08Å; F316-M331 HydrophobicContact CZ-CB 4.02Å; F316-M331 HydrophobicContact CZ-CG 4.16Å; F316-C334 HydrophobicContact CE2-CB 4.42Å; F316-C334 HydrophobicContact CZ-CB 4.37Å; F316-Y335 HydrophobicContact CD2-CE2 4.37Å; F316-Y335 HydrophobicContact CE2-CE2 4.24Å; F316-K342 PolarHBondContact N-O 3.44Å; F316-M343 HydrophobicContact CB-CB 4.07Å; F316-M343 HydrophobicContact CB-CE 4.19Å; F316-M343 HydrophobicContact CB-CG 3.87Å; F316-M343 HydrophobicContact CD2-CE 4.06Å; F316-M343 HydrophobicContact CG-CE 4.19Å; F316-M343 CarbonylContact O-C 3.56Å; F316-M343 VanDerWaalsContact O-CA 3.24Å; F316-M343 WeakPolarHBondContact O-CA 3.2Å; F316-I344 PolarHBondContact O-N 3.11Å
317	I	98.9	Very high	97.7	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	107.3	173.2	-53.9	-179.2	0	0	0	107.2	I293 A294 L295 D296 F315 I344 I346 F354 A387 S388	I293-I317 HydrophobicContact CG2-CD1 3.84Å; I293-I317 HydrophobicContact CG2-CG1 4.11Å; A294-I317 PolarHBondContact O-N 3.09Å; A294-I317 VanDerWaalsContact O-N 3.14Å; L295-I317 CarbonylContact C-O 3.59Å; L295-I317 WeakPolarHBondContact CA-O 3.32Å; L295-I317 HydrophobicContact CD2-CB 3.87Å; L295-I317 HydrophobicContact CD2-CD1 3.9Å; L295-I317 HydrophobicContact CD2-CG1 4.21Å; D296-I317 PolarHBondContact N-O 3.17Å; F315-I317 HydrophobicContact CD1-CD1 3.91Å; F315-I317 HydrophobicContact CD1-CG1 3.89Å; F315-I317 HydrophobicContact CD2-CG1 4.33Å; F315-I317 HydrophobicContact CE1-CD1 3.64Å; F315-I317 HydrophobicContact CE1-CG1 3.7Å; F315-I317 HydrophobicContact CE2-CG1 4.18Å; F315-I317 HydrophobicContact CG-CG1 4.21Å; F315-I317 HydrophobicContact CZ-CD1 4.21Å; F315-I317 HydrophobicContact CZ-CG1 3.86Å; I317-I344 HydrophobicContact CB-CG1 4.3Å; I317-I344 HydrophobicContact CG1-CD1 4.23Å; I317-I344 HydrophobicContact CG1-CG1 4.11Å; I317-I344 HydrophobicContact CG2-CD1 4.07Å; I317-I344 HydrophobicContact CG2-CG1 4.05Å; I317-I346 HydrophobicContact CG2-CD1 4Å; I317-I346 HydrophobicContact CG2-CG1 4.28Å; I317-F354 HydrophobicContact CG2-CE1 3.83Å; I317-F354 HydrophobicContact CG2-CZ 4.02Å; I317-F354 WeakPolarHBondContact O-CZ 3.49Å; I317-A387 HydrophobicContact CD1-CB 4.45Å; I317-S388 WeakPolarHBondContact CD1-OG 3.24Å
318	N	98.9	Very high	97.9	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	151.1	-170.7	-66	-34.5	0	0	0	112	Q323 M331 I344 T345 I346	N318-Q323 HydrophobicContact CB-CG 3.88Å; N318-Q323 PolarHBondContact OD1-NE2 3.12Å; N318-M331 WeakPolarHBondContact OD1-CE 3.09Å; N318-I344 PolarHBondContact N-O 3.46Å; N318-T345 WeakPolarHBondContact O-CA 3.38Å; N318-I346 PolarHBondContact O-N 3.05Å
319	S	98.7	Very high	98.1	Very high	0 Å²	0	34 Å²	34	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	154.6	159.2	73.8	0	0	0	0	110.8	D296 F322 S349 V350 H351	D296-S319 VanDerWaalsContact CG-N 3.35Å; D296-S319 PolarHBondContact OD1-N 3.15Å; D296-S319 PolarHBondContact OD1-OG 2.88Å; D296-S319 WeakPolarHBondContact OD2-CB 3.27Å; D296-S319 PolarHBondContact OD2-OG 3.22Å; S319-F322 WeakPolarHBondContact OG-CB 3.47Å; S319-F322 PolarHBondContact OG-N 3.19Å; S319-S349 WeakPolarHBondContact CA-OG 3.39Å; S319-S349 VanDerWaalsContact CB-OG 3.26Å; S319-S349 WeakPolarHBondContact CB-OG 3.19Å; S319-V350 VanDerWaalsContact CB-C 3.49Å; S319-H351 PolarHBondContact OG-N 3.37Å
320	E	98.5	Very high	98.2	Very high	42 Å²	42	29.2 Å²	29.2	20%	0.196	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.5	-41.5	-178.7	-168.2	171.2	-171.6	0	0	112	T345 I346 R347 G348 S349 N421	E320-T345 HydrophobicContact CB-CG2 3.92Å; E320-T345 HydrophobicContact CG-CG2 4.27Å; E320-I346 PolarHBondContact N-O 3.17Å; E320-R347 WeakPolarHBondContact OE2-CA 3.45Å; E320-G348 PolarHBondContact OE2-N 3.21Å; E320-S349 PolarHBondContact N-O 3.48Å; E320-S349 PolarHBondContact N-OG 3.47Å; E320-N421 WeakPolarHBondContact CG-ND2 3.44Å; E320-N421 PolarHBondContact OE1-ND2 3.04Å; E320-N421 VanDerWaalsContact OE1-ND2 3.07Å
321	Y	97.7	Very high	98.2	Very high	128 Å²	128	29.2 Å²	29.2	50%	0.502	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.3	-5.9	-169.8	-62.3	-49.9	0	0	0	115.7	S349 V350 D374	Y321-S349 VanDerWaalsContact CD2-O 3.28Å; Y321-S349 WeakPolarHBondContact CD2-O 3.32Å; Y321-S349 PolarHBondContact N-O 3.27Å; Y321-S349 VanDerWaalsContact N-O 3.1Å; Y321-V350 HydrophobicContact CD2-CG1 3.79Å; Y321-D374 PolarHBondContact OH-OD2 3.28Å
322	F	97.6	Very high	98.2	Very high	50 Å²	50	30 Å²	30	22%	0.219	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.7	-33.3	175.5	178.9	-111	0	0	0	113.2	D296 W298 S319 H351	D296-F322 HydrophobicContact CB-CD1 4.33Å; D296-F322 WeakPolarHBondContact O-CE1 3.45Å; D296-F322 WeakPolarHBondContact OD1-CD1 3.44Å; D296-F322 WeakPolarHBondContact OD2-CB 3.42Å; D296-F322 VanDerWaalsContact OD2-CD1 3.29Å; D296-F322 WeakPolarHBondContact OD2-CD1 3.26Å; D296-F322 WeakPolarHBondContact OD2-CG 3.45Å; W298-F322 HydrophobicContact CB-CZ 4.29Å; S319-F322 WeakPolarHBondContact OG-CB 3.47Å; S319-F322 PolarHBondContact OG-N 3.19Å; F322-H351 HydrophobicContact CB-CB 3.94Å; F322-H351 AromaticContact CD1-CE1 3.82Å; F322-H351 AromaticContact CD1-ND1 3.53Å; F322-H351 HydrophobicContact CD2-CB 3.75Å; F322-H351 AromaticContact CD2-CD2 3.87Å; F322-H351 AromaticContact CD2-CE1 3.84Å; F322-H351 AromaticContact CD2-CG 3.42Å; F322-H351 VanDerWaalsContact CD2-CG 3.42Å; F322-H351 AromaticContact CD2-ND1 3.41Å; F322-H351 WeakPolarHBondContact CD2-ND1 3.41Å; F322-H351 AromaticContact CE1-CE1 3.59Å; F322-H351 AromaticContact CE1-ND1 3.81Å; F322-H351 AromaticContact CE2-CD2 3.79Å; F322-H351 AromaticContact CE2-CE1 3.62Å; F322-H351 AromaticContact CE2-CG 3.8Å; F322-H351 AromaticContact CE2-ND1 3.7Å; F322-H351 AromaticContact CE2-NE2 3.68Å; F322-H351 HydrophobicContact CG-CB 3.99Å; F322-H351 AromaticContact CG-CE1 3.93Å; F322-H351 AromaticContact CG-CG 3.73Å; F322-H351 AromaticContact CG-ND1 3.32Å; F322-H351 VanDerWaalsContact CG-ND1 3.32Å; F322-H351 WeakPolarHBondContact CG-ND1 3.44Å; F322-H351 AromaticContact CZ-CE1 3.49Å; F322-H351 VanDerWaalsContact CZ-CE1 3.49Å; F322-H351 WeakPolarHBondContact CZ-CE1 3.42Å; F322-H351 AromaticContact CZ-ND1 3.88Å; F322-H351 AromaticContact CZ-NE2 3.81Å
323	Q	97.9	Very high	98.2	Very high	17 Å²	17	34.1 Å²	34.1	8%	0.079	16%	0.163	C	C	.	.			trans	-73.1	151.5	-168.1	-66.2	-62	-26.7	0	0	112.7	D296 N318 N327 I328 I422	D296-Q323 PolarHBondContact OD1-NE2 2.94Å; N318-Q323 HydrophobicContact CB-CG 3.88Å; N318-Q323 PolarHBondContact OD1-NE2 3.12Å; Q323-N327 PolarHBondContact OE1-ND2 2.79Å; Q323-I328 HydrophobicContact CB-CD1 4.06Å; Q323-I328 HydrophobicContact CB-CG1 4.29Å; Q323-I328 HydrophobicContact CG-CD1 4.03Å; Q323-I422 HydrophobicContact CB-CD1 3.63Å; Q323-I422 WeakPolarHBondContact O-CD1 3.39Å
324	Y	97.4	Very high	98.1	Very high	87 Å²	87	33 Å²	33	34%	0.341	16%	0.156	S	C	.	.			trans	-146.2	156.1	177.2	55.6	-87	0	0	0	110.7	A326 N327 I328	Y324-A326 HydrophobicContact CD2-CB 4.02Å; Y324-A326 HydrophobicContact CE2-CB 4.03Å; Y324-A326 PolarHBondContact O-N 2.56Å; Y324-N327 HydrophobicContact CD1-CB 4.1Å; Y324-N327 HydrophobicContact CD2-CB 3.95Å; Y324-N327 HydrophobicContact CE1-CB 3.85Å; Y324-N327 HydrophobicContact CE2-CB 3.7Å; Y324-N327 HydrophobicContact CG-CB 4.15Å; Y324-N327 WeakPolarHBondContact O-CB 3.22Å; Y324-N327 PolarHBondContact O-N 3.4Å; Y324-I328 PolarHBondContact O-N 3.34Å; Y324-I328 VanDerWaalsContact O-N 3.11Å
325	P	97.8	Very high	98	Very high	47 Å²	47	37.4 Å²	37.4	31%	0.305	17%	0.173	S	C	.	.	H	α-helix	trans	-51.8	-45.9	-170.9	-30.5	35.3	0	0	0	115.6	N327 I328 I329 I422	P325-N327 VanDerWaalsContact C-N 3.26Å; P325-N327 PolarHBondContact O-N 3.09Å; P325-I328 PolarHBondContact O-N 3.17Å; P325-I329 VanDerWaalsContact O-CG1 3.28Å; P325-I329 WeakPolarHBondContact O-CG1 3.46Å; P325-I329 PolarHBondContact O-N 3.41Å; P325-I422 HydrophobicContact CB-CG2 4.16Å; P325-I422 HydrophobicContact CG-CG2 3.81Å
326	A	96.7	Very high	97.7	Very high	53 Å²	53	39.2 Å²	39.2	44%	0.438	19%	0.186	S	C	.	.	H	α-helix	trans	-63.5	-30.3	179.8	0	0	0	0	0	113.2	Y324	Y324-A326 HydrophobicContact CD2-CB 4.02Å; Y324-A326 HydrophobicContact CE2-CB 4.03Å; Y324-A326 PolarHBondContact O-N 2.56Å
327	N	98.1	Very high	97.4	Very high	2 Å²	2	46.2 Å²	46.2	1%	0.011	23%	0.232	C	C	.	.	H	α-helix	trans	-74.5	-45.8	175.5	-156.7	56.4	0	0	0	111.2	A297 M299 Q323 Y324 P325 I329 K330 M331	A297-N327 PolarHBondContact O-ND2 3.31Å; M299-N327 VanDerWaalsContact CB-OD1 3.23Å; M299-N327 WeakPolarHBondContact CB-OD1 3.48Å; M299-N327 WeakPolarHBondContact CG-OD1 3.19Å; M299-N327 PolarHBondContact N-OD1 3.36Å; Q323-N327 PolarHBondContact OE1-ND2 2.79Å; Y324-N327 HydrophobicContact CD1-CB 4.1Å; Y324-N327 HydrophobicContact CD2-CB 3.95Å; Y324-N327 HydrophobicContact CE1-CB 3.85Å; Y324-N327 HydrophobicContact CE2-CB 3.7Å; Y324-N327 HydrophobicContact CG-CB 4.15Å; Y324-N327 WeakPolarHBondContact O-CB 3.22Å; Y324-N327 PolarHBondContact O-N 3.4Å; P325-N327 VanDerWaalsContact C-N 3.26Å; P325-N327 PolarHBondContact O-N 3.09Å; N327-I329 VanDerWaalsContact C-N 3.35Å; N327-I329 PolarHBondContact O-N 3.17Å; N327-K330 WeakPolarHBondContact O-CB 3.07Å; N327-K330 PolarHBondContact O-N 2.86Å; N327-K330 VanDerWaalsContact O-N 3.13Å; N327-M331 WeakPolarHBondContact ND2-CE 3.3Å; N327-M331 PolarHBondContact O-N 3.41Å; N327-M331 VanDerWaalsContact O-N 3.1Å
328	I	98.4	Very high	97.2	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-63	-39.3	177.7	-65.5	-59	0	0	0	111.7	Q323 Y324 P325 K330 M331 K332 T420 I422 T424	Q323-I328 HydrophobicContact CB-CD1 4.06Å; Q323-I328 HydrophobicContact CB-CG1 4.29Å; Q323-I328 HydrophobicContact CG-CD1 4.03Å; Y324-I328 PolarHBondContact O-N 3.34Å; Y324-I328 VanDerWaalsContact O-N 3.11Å; P325-I328 PolarHBondContact O-N 3.17Å; I328-K330 PolarHBondContact O-N 2.99Å; I328-M331 HydrophobicContact CD1-CE 4.41Å; I328-M331 HydrophobicContact CD1-SD 3.89Å; I328-M331 WeakPolarHBondContact O-CB 3.48Å; I328-M331 PolarHBondContact O-N 2.92Å; I328-M331 VanDerWaalsContact O-N 3.09Å; I328-K332 HydrophobicContact CG2-CD 4.3Å; I328-K332 HydrophobicContact CG2-CG 4.39Å; I328-K332 WeakPolarHBondContact O-CG 3.35Å; I328-K332 PolarHBondContact O-N 3.18Å; I328-T420 HydrophobicContact CD1-CG2 4.35Å; I328-T420 HydrophobicContact CG2-CG2 3.86Å; I328-I422 HydrophobicContact CG1-CB 4.15Å; I328-I422 HydrophobicContact CG1-CD1 3.94Å; I328-I422 HydrophobicContact CG1-CG1 4.48Å; I328-I422 HydrophobicContact CG1-CG2 4.4Å; I328-T424 HydrophobicContact CB-CG2 4.19Å; I328-T424 HydrophobicContact CG2-CG2 3.63Å
329	I	98.1	Very high	97.1	Very high	29 Å²	29	54 Å²	54	15%	0.149	27%	0.272	C	S	.	.	H	α-helix	trans	-56.6	-42.5	174.6	-73	168.7	0	0	0	110.5	P325 N327 K332 K333 T424 Q427	P325-I329 VanDerWaalsContact O-CG1 3.28Å; P325-I329 WeakPolarHBondContact O-CG1 3.46Å; P325-I329 PolarHBondContact O-N 3.41Å; N327-I329 VanDerWaalsContact C-N 3.35Å; N327-I329 PolarHBondContact O-N 3.17Å; I329-K332 PolarHBondContact O-N 2.92Å; I329-K333 WeakPolarHBondContact O-CG 3.33Å; I329-K333 PolarHBondContact O-N 3.25Å; I329-T424 HydrophobicContact CG1-CG2 3.76Å; I329-Q427 HydrophobicContact CD1-CB 3.94Å
330	K	98.2	Very high	97	Very high	52 Å²	52	57.6 Å²	57.6	23%	0.226	29%	0.288	C	S	.	.	H	α-helix	trans	-66	-37.5	176.3	-70.7	178.2	167.9	-164.3	0	112.5	M299 Y307 N327 I328 K332 K333	M299-K330 HydrophobicContact CB-CB 3.63Å; M299-K330 HydrophobicContact CB-CD 3.69Å; M299-K330 HydrophobicContact CB-CG 4.32Å; M299-K330 HydrophobicContact CE-CB 4.1Å; M299-K330 HydrophobicContact CG-CB 4.08Å; M299-K330 PolarHBondContact O-NZ 3.41Å; Y307-K330 HydrophobicContact CE1-CB 4.33Å; Y307-K330 WeakPolarHBondContact OH-CD 3.45Å; N327-K330 WeakPolarHBondContact O-CB 3.07Å; N327-K330 PolarHBondContact O-N 2.86Å; N327-K330 VanDerWaalsContact O-N 3.13Å; I328-K330 PolarHBondContact O-N 2.99Å; K330-K332 VanDerWaalsContact C-N 3.34Å; K330-K333 WeakPolarHBondContact O-CB 3.46Å; K330-K333 PolarHBondContact O-N 2.89Å
331	M	98.4	Very high	97	Very high	0 Å²	0	56.4 Å²	56.4	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-63	-42.8	172.8	-61.2	-175.8	-174.5	0	0	111.4	A297 M299 F316 N318 N327 I328 K333 C334 Y335 M343	A297-M331 HydrophobicContact CB-CE 4.11Å; A297-M331 WeakPolarHBondContact O-CE 3.48Å; M299-M331 HydrophobicContact CE-CG 4.09Å; M299-M331 HydrophobicContact CG-CE 4.26Å; M299-M331 HydrophobicContact CG-CG 3.86Å; M299-M331 HydrophobicContact SD-CG 3.98Å; F316-M331 HydrophobicContact CB-SD 4.37Å; F316-M331 HydrophobicContact CD1-CB 4.41Å; F316-M331 HydrophobicContact CD1-CE 4.28Å; F316-M331 HydrophobicContact CD1-CG 3.94Å; F316-M331 HydrophobicContact CD1-SD 3.69Å; F316-M331 HydrophobicContact CE1-CB 4.1Å; F316-M331 HydrophobicContact CE1-CG 3.73Å; F316-M331 HydrophobicContact CE1-SD 4.12Å; F316-M331 HydrophobicContact CE2-CB 4.28Å; F316-M331 HydrophobicContact CG-SD 4.08Å; F316-M331 HydrophobicContact CZ-CB 4.02Å; F316-M331 HydrophobicContact CZ-CG 4.16Å; N318-M331 WeakPolarHBondContact OD1-CE 3.09Å; N327-M331 WeakPolarHBondContact ND2-CE 3.3Å; N327-M331 PolarHBondContact O-N 3.41Å; N327-M331 VanDerWaalsContact O-N 3.1Å; I328-M331 HydrophobicContact CD1-CE 4.41Å; I328-M331 HydrophobicContact CD1-SD 3.89Å; I328-M331 WeakPolarHBondContact O-CB 3.48Å; I328-M331 PolarHBondContact O-N 2.92Å; I328-M331 VanDerWaalsContact O-N 3.09Å; M331-K333 VanDerWaalsContact C-N 3.28Å; M331-K333 PolarHBondContact O-N 3.49Å; M331-C334 VanDerWaalsContact O-CB 3.24Å; M331-C334 WeakPolarHBondContact O-CB 3.1Å; M331-C334 PolarHBondContact O-N 3.44Å; M331-Y335 WeakPolarHBondContact O-CD2 3.3Å; M331-M343 HydrophobicContact CB-CE 3.61Å; M331-M343 HydrophobicContact CG-CE 4.34Å; M331-M343 HydrophobicContact SD-CE 3.77Å
332	K	97.6	Very high	97.1	Very high	86 Å²	86	52.5 Å²	52.5	37%	0.374	27%	0.267	S	S	.	.	H	α-helix	trans	-64.2	-29.8	177.2	-71.2	-175.3	179.4	-177.5	0	112.8	I328 I329 K330 C334 Y335 T424	I328-K332 HydrophobicContact CG2-CD 4.3Å; I328-K332 HydrophobicContact CG2-CG 4.39Å; I328-K332 WeakPolarHBondContact O-CG 3.35Å; I328-K332 PolarHBondContact O-N 3.18Å; I329-K332 PolarHBondContact O-N 2.92Å; K330-K332 VanDerWaalsContact C-N 3.34Å; K332-C334 PolarHBondContact O-N 2.98Å; K332-Y335 WeakPolarHBondContact O-CB 3.42Å; K332-Y335 PolarHBondContact O-N 3.2Å; K332-T424 HydrophobicContact CD-CG2 4.32Å; K332-T424 PolarHBondContact NZ-OG1 2.87Å
333	K	97.4	Very high	97.1	Very high	98 Å²	98	50.8 Å²	50.8	43%	0.426	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-22.3	171.4	-70.5	-176.4	-179.6	-168	0	113.1	D304 Y307 I329 K330 M331 Y335	D304-K333 IonicContact OD1-NZ 2.69Å; D304-K333 PolarHBondContact OD1-NZ 2.96Å; Y307-K333 HydrophobicContact CD1-CB 4.26Å; Y307-K333 HydrophobicContact CD2-CB 3.88Å; Y307-K333 HydrophobicContact CD2-CD 3.61Å; Y307-K333 HydrophobicContact CD2-CG 4.43Å; Y307-K333 HydrophobicContact CE2-CB 4.5Å; Y307-K333 HydrophobicContact CE2-CD 3.75Å; Y307-K333 HydrophobicContact CG-CB 3.75Å; Y307-K333 HydrophobicContact CG-CD 4.35Å; I329-K333 WeakPolarHBondContact O-CG 3.33Å; I329-K333 PolarHBondContact O-N 3.25Å; K330-K333 WeakPolarHBondContact O-CB 3.46Å; K330-K333 PolarHBondContact O-N 2.89Å; M331-K333 VanDerWaalsContact C-N 3.28Å; M331-K333 PolarHBondContact O-N 3.49Å; K333-Y335 VanDerWaalsContact C-N 3.27Å; K333-Y335 PolarHBondContact O-N 3.29Å
334	C	97	Very high	97.2	Very high	1 Å²	1	50 Å²	50	1%	0.007	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.4	-10.2	175.6	-58.4	0	0	0	0	113.8	Y307 I310 L314 F316 M331 K332 R341	Y307-C334 VanDerWaalsContact CD1-SG 3.55Å; I310-C334 HydrophobicContact CD1-CB 4.4Å; L314-C334 HydrophobicContact CD2-CB 4.34Å; F316-C334 HydrophobicContact CE2-CB 4.42Å; F316-C334 HydrophobicContact CZ-CB 4.37Å; M331-C334 VanDerWaalsContact O-CB 3.24Å; M331-C334 WeakPolarHBondContact O-CB 3.1Å; M331-C334 PolarHBondContact O-N 3.44Å; K332-C334 PolarHBondContact O-N 2.98Å; C334-R341 PolarHBondContact O-NE 3.43Å
335	Y	96.7	Very high	97.2	Very high	94 Å²	94	45.9 Å²	45.9	37%	0.369	24%	0.24	S	C	.	.			trans	-85.7	134.3	-177.3	-75.4	-117.7	0	0	0	111.1	F316 M331 K332 K333 R341 K342 M343	F316-Y335 HydrophobicContact CD2-CE2 4.37Å; F316-Y335 HydrophobicContact CE2-CE2 4.24Å; M331-Y335 WeakPolarHBondContact O-CD2 3.3Å; K332-Y335 WeakPolarHBondContact O-CB 3.42Å; K332-Y335 PolarHBondContact O-N 3.2Å; K333-Y335 VanDerWaalsContact C-N 3.27Å; K333-Y335 PolarHBondContact O-N 3.29Å; Y335-R341 HydrophobicContact CD1-CB 3.59Å; Y335-R341 HydrophobicContact CD1-CG 4.1Å; Y335-R341 HydrophobicContact CD2-CB 4.11Å; Y335-R341 HydrophobicContact CD2-CG 4.17Å; Y335-R341 HydrophobicContact CE1-CB 3.38Å; Y335-R341 HydrophobicContact CE1-CG 4.33Å; Y335-R341 HydrophobicContact CE2-CB 3.92Å; Y335-R341 HydrophobicContact CE2-CG 4.37Å; Y335-R341 HydrophobicContact CG-CB 3.95Å; Y335-R341 HydrophobicContact CG-CG 4.01Å; Y335-K342 PolarHBondContact OH-O 3.37Å; Y335-M343 HydrophobicContact CE2-CE 4.16Å; Y335-M343 WeakPolarHBondContact OH-CB 3.24Å
336	S	93.7	Very high	97.3	Very high	38 Å²	38	43.7 Å²	43.7	27%	0.266	23%	0.226	S	C	.	.			trans	-148.7	152.3	166.8	64.1	0	0	0	0	109.5	D338 K339	S336-D338 WeakPolarHBondContact CB-OD1 3.29Å; S336-D338 PolarHBondContact O-N 3.17Å; S336-D338 VanDerWaalsContact O-N 3.13Å; S336-D338 PolarHBondContact OG-OD1 2.72Å; S336-K339 PolarHBondContact O-N 2.75Å; S336-K339 WeakPolarHBondContact OG-CD 3.47Å; S336-K339 WeakPolarHBondContact OG-CG 3.39Å
337	P	92.1	Very high	97.4	Very high	147 Å²	147	46.1 Å²	46.1	96%	0.955	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.6	-25	-173.9	-26	35.4	0	0	0	115.1	K339	P337-K339 VanDerWaalsContact C-N 3.34Å
338	D	94.9	Very high	97.4	Very high	128 Å²	128	46.4 Å²	46.4	68%	0.684	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.3	-0.2	179.7	62.8	-49.4	0	0	0	113.6	S336	S336-D338 WeakPolarHBondContact CB-OD1 3.29Å; S336-D338 PolarHBondContact O-N 3.17Å; S336-D338 VanDerWaalsContact O-N 3.13Å; S336-D338 PolarHBondContact OG-OD1 2.72Å
339	K	95.6	Very high	97.4	Very high	36 Å²	36	46.4 Å²	46.4	16%	0.157	23%	0.228	C	C	.	.	S	Bend	trans	-128	132.8	-171.7	-63.6	-174.3	-174.6	-172.3	0	112.7	S308 I310 S336 P337 R341	S308-K339 PolarHBondContact O-NZ 3.15Å; I310-K339 VanDerWaalsContact O-CD 3.27Å; I310-K339 WeakPolarHBondContact O-CD 3.49Å; I310-K339 WeakPolarHBondContact O-CE 3.34Å; I310-K339 PolarHBondContact O-NZ 3.03Å; S336-K339 PolarHBondContact O-N 2.75Å; S336-K339 WeakPolarHBondContact OG-CD 3.47Å; S336-K339 WeakPolarHBondContact OG-CG 3.39Å; P337-K339 VanDerWaalsContact C-N 3.34Å; K339-R341 PolarHBondContact O-N 2.83Å
340	E	97.8	Very high	97.4	Very high	75 Å²	75	46 Å²	46	35%	0.35	23%	0.226	S	C	.	.			trans	-72.3	117.6	177.7	-176.9	60.2	-155.1	0	0	111.3	P313 L314 K342	P313-E340 WeakPolarHBondContact CA-O 3.33Å; P313-E340 HydrophobicContact CB-CB 4.01Å; P313-E340 HydrophobicContact CB-CG 4.07Å; P313-E340 HydrophobicContact CG-CB 4.14Å; P313-E340 HydrophobicContact CG-CG 4.49Å; L314-E340 PolarHBondContact N-O 3.34Å; E340-K342 WeakPolarHBondContact OE1-CE 3.16Å
341	R	98.5	Very high	97.4	Very high	16 Å²	16	45.1 Å²	45.1	6%	0.06	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	132.8	179	-61	-64.2	178.8	-102.2	6.8	110.2	I310 Q312 L314 C334 Y335 K339	I310-R341 PolarHBondContact O-NH2 3.28Å; Q312-R341 PolarHBondContact O-NH1 3.25Å; L314-R341 WeakPolarHBondContact O-CA 3.42Å; C334-R341 PolarHBondContact O-NE 3.43Å; Y335-R341 HydrophobicContact CD1-CB 3.59Å; Y335-R341 HydrophobicContact CD1-CG 4.1Å; Y335-R341 HydrophobicContact CD2-CB 4.11Å; Y335-R341 HydrophobicContact CD2-CG 4.17Å; Y335-R341 HydrophobicContact CE1-CB 3.38Å; Y335-R341 HydrophobicContact CE1-CG 4.33Å; Y335-R341 HydrophobicContact CE2-CB 3.92Å; Y335-R341 HydrophobicContact CE2-CG 4.37Å; Y335-R341 HydrophobicContact CG-CB 3.95Å; Y335-R341 HydrophobicContact CG-CG 4.01Å; K339-R341 PolarHBondContact O-N 2.83Å
342	K	98.7	Very high	97.3	Very high	46 Å²	46	47.5 Å²	47.5	20%	0.2	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	153.4	173.5	-64.6	-69.5	177.2	172	0	109.9	L314 F315 F316 Y335 E340 F391 I409 E410	L314-K342 PolarHBondContact O-N 3.22Å; F315-K342 HydrophobicContact CD2-CB 3.41Å; F315-K342 VanDerWaalsContact CD2-CB 3.41Å; F315-K342 WeakPolarHBondContact CD2-O 3.29Å; F315-K342 HydrophobicContact CE2-CB 3.71Å; F315-K342 HydrophobicContact CG-CB 4.23Å; F316-K342 PolarHBondContact N-O 3.44Å; Y335-K342 PolarHBondContact OH-O 3.37Å; E340-K342 WeakPolarHBondContact OE1-CE 3.16Å; K342-F391 HydrophobicContact CG-CE2 4.46Å; K342-I409 HydrophobicContact CB-CG2 3.93Å; K342-I409 HydrophobicContact CD-CG2 3.98Å; K342-I409 HydrophobicContact CG-CG2 3.61Å; K342-E410 VanDerWaalsContact CE-OE1 3.3Å; K342-E410 WeakPolarHBondContact CE-OE1 3.28Å; K342-E410 IonicContact NZ-OE1 2.72Å; K342-E410 PolarHBondContact NZ-OE1 3.46Å; K342-E410 IonicContact NZ-OE2 3.69Å; K342-E410 PolarHBondContact NZ-OE2 3.3Å
343	M	98.9	Very high	97.4	Very high	15 Å²	15	43.5 Å²	43.5	7%	0.074	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	135.5	174.3	-178.8	-175.5	-61.8	0	0	109.1	F316 M331 Y335 G419 T420	F316-M343 HydrophobicContact CB-CB 4.07Å; F316-M343 HydrophobicContact CB-CE 4.19Å; F316-M343 HydrophobicContact CB-CG 3.87Å; F316-M343 HydrophobicContact CD2-CE 4.06Å; F316-M343 HydrophobicContact CG-CE 4.19Å; F316-M343 CarbonylContact O-C 3.56Å; F316-M343 VanDerWaalsContact O-CA 3.24Å; F316-M343 WeakPolarHBondContact O-CA 3.2Å; M331-M343 HydrophobicContact CB-CE 3.61Å; M331-M343 HydrophobicContact CG-CE 4.34Å; M331-M343 HydrophobicContact SD-CE 3.77Å; Y335-M343 HydrophobicContact CE2-CE 4.16Å; Y335-M343 WeakPolarHBondContact OH-CB 3.24Å; M343-G419 WeakPolarHBondContact CG-O 3.33Å; M343-G419 WeakPolarHBondContact O-CA 3.31Å; M343-G419 PolarHBondContact O-N 3.45Å; M343-T420 HydrophobicContact SD-CG2 4.05Å
344	I	98.9	Very high	97.4	Very high	0 Å²	0	39 Å²	39	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	157.7	169.9	59.9	171.6	0	0	0	109.9	F315 F316 I317 N318 A387 I409 L416 I417 G419	F315-I344 HydrophobicContact CE1-CD1 4.5Å; F315-I344 HydrophobicContact CE2-CB 4.46Å; F315-I344 HydrophobicContact CE2-CD1 4.3Å; F315-I344 HydrophobicContact CE2-CG1 3.84Å; F315-I344 HydrophobicContact CE2-CG2 4.12Å; F315-I344 HydrophobicContact CZ-CD1 3.66Å; F315-I344 HydrophobicContact CZ-CG1 3.71Å; F315-I344 HydrophobicContact CZ-CG2 4.23Å; F316-I344 PolarHBondContact O-N 3.11Å; I317-I344 HydrophobicContact CB-CG1 4.3Å; I317-I344 HydrophobicContact CG1-CD1 4.23Å; I317-I344 HydrophobicContact CG1-CG1 4.11Å; I317-I344 HydrophobicContact CG2-CD1 4.07Å; I317-I344 HydrophobicContact CG2-CG1 4.05Å; N318-I344 PolarHBondContact N-O 3.46Å; I344-A387 HydrophobicContact CD1-CB 3.98Å; I344-I409 WeakPolarHBondContact CG2-O 3.31Å; I344-L416 HydrophobicContact CD1-CD1 4.25Å; I344-L416 HydrophobicContact CD1-CD2 4.2Å; I344-I417 WeakPolarHBondContact CA-O 3.2Å; I344-G419 CarbonylContact C-O 3.51Å; I344-G419 VanDerWaalsContact C-O 3.25Å
345	T	98.9	Very high	97.4	Very high	0 Å²	0	39 Å²	39	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	129.7	169.7	-67	0	0	0	0	109.8	N318 E320 L416 I417 G419	N318-T345 WeakPolarHBondContact O-CA 3.38Å; E320-T345 HydrophobicContact CB-CG2 3.92Å; E320-T345 HydrophobicContact CG-CG2 4.27Å; T345-L416 CarbonylContact O-C 3.5Å; T345-L416 WeakPolarHBondContact O-CA 3.48Å; T345-I417 HydrophobicContact CG2-CD1 4.21Å; T345-I417 PolarHBondContact N-O 3.13Å; T345-I417 PolarHBondContact O-N 3.15Å; T345-G419 PolarHBondContact N-O 3.45Å; T345-G419 PolarHBondContact OG1-O 3.46Å
346	I	98.9	Very high	97.5	Very high	1 Å²	1	34.6 Å²	34.6	1%	0.005	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	117.5	176	-53.2	176.6	0	0	0	108.8	I317 N318 E320 S349 F354 I375 A380 L383 L416	I317-I346 HydrophobicContact CG2-CD1 4Å; I317-I346 HydrophobicContact CG2-CG1 4.28Å; N318-I346 PolarHBondContact O-N 3.05Å; E320-I346 PolarHBondContact N-O 3.17Å; I346-S349 WeakPolarHBondContact O-CB 3.35Å; I346-S349 PolarHBondContact O-N 3.31Å; I346-S349 PolarHBondContact O-OG 3.36Å; I346-F354 HydrophobicContact CD1-CE1 4.07Å; I346-F354 HydrophobicContact CD1-CZ 4.1Å; I346-I375 HydrophobicContact CG2-CD1 3.75Å; I346-A380 HydrophobicContact CG2-CB 4.27Å; I346-L383 HydrophobicContact CG2-CD1 4.22Å; I346-L416 HydrophobicContact CB-CD2 4.31Å; I346-L416 HydrophobicContact CG1-CD2 3.8Å
347	R	98.8	Very high	97.6	Very high	105 Å²	105	34 Å²	34	40%	0.396	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.1	142.6	-177.6	-66.3	-179	-169.2	-90	-0.4	111.7	E320 S349 I375 E414 N415 L416 I417	E320-R347 WeakPolarHBondContact OE2-CA 3.45Å; R347-S349 PolarHBondContact O-N 2.93Å; R347-I375 WeakPolarHBondContact O-CB 3.43Å; R347-I375 WeakPolarHBondContact O-CG2 3.41Å; R347-E414 VanDerWaalsContact CD-O 3.23Å; R347-E414 WeakPolarHBondContact CD-O 3.27Å; R347-E414 PolarHBondContact NE-O 3.47Å; R347-N415 WeakPolarHBondContact CB-O 3.44Å; R347-N415 WeakPolarHBondContact CG-O 3.21Å; R347-N415 PolarHBondContact N-O 2.95Å; R347-L416 PolarHBondContact NE-O 2.86Å; R347-L416 PolarHBondContact NH2-O 3.36Å; R347-I417 HydrophobicContact CG-CD1 4.03Å; R347-I417 HydrophobicContact CG-CG1 3.63Å
348	G	97.8	Very high	97.7	Very high	8 Å²	8	27 Å²	27	8%	0.082	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	64.2	5.2	177.8	0	0	0	0	0	114.9	E320 G373 D374 I375	E320-G348 PolarHBondContact OE2-N 3.21Å; G348-G373 CarbonylContact O-C 3.54Å; G348-G373 WeakPolarHBondContact O-CA 3.21Å; G348-D374 PolarHBondContact O-N 3.15Å; G348-I375 PolarHBondContact O-N 3.49Å
349	S	98.5	Very high	97.7	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	10%	0.096	C	C	.	.			trans	-87.6	152.8	-176.2	68.3	0	0	0	0	112.5	S319 E320 Y321 I346 R347 N353	S319-S349 WeakPolarHBondContact CA-OG 3.39Å; S319-S349 VanDerWaalsContact CB-OG 3.26Å; S319-S349 WeakPolarHBondContact CB-OG 3.19Å; E320-S349 PolarHBondContact N-O 3.48Å; E320-S349 PolarHBondContact N-OG 3.47Å; Y321-S349 VanDerWaalsContact CD2-O 3.28Å; Y321-S349 WeakPolarHBondContact CD2-O 3.32Å; Y321-S349 PolarHBondContact N-O 3.27Å; Y321-S349 VanDerWaalsContact N-O 3.1Å; I346-S349 WeakPolarHBondContact O-CB 3.35Å; I346-S349 PolarHBondContact O-N 3.31Å; I346-S349 PolarHBondContact O-OG 3.36Å; R347-S349 PolarHBondContact O-N 2.93Å; S349-N353 WeakPolarHBondContact CA-OD1 3.15Å
350	V	98.3	Very high	97.4	Very high	20 Å²	20	20.4 Å²	20.4	12%	0.121	10%	0.096	C	C	.	.			trans	-113.2	164.4	174.3	-63.9	0	0	0	0	110.8	S319 Y321 Q352 N353	S319-V350 VanDerWaalsContact CB-C 3.49Å; Y321-V350 HydrophobicContact CD2-CG1 3.79Å; V350-Q352 PolarHBondContact O-N 2.96Å; V350-N353 VanDerWaalsContact CG2-OD1 3.32Å; V350-N353 WeakPolarHBondContact CG2-OD1 3.46Å; V350-N353 PolarHBondContact N-OD1 2.64Å; V350-N353 WeakPolarHBondContact O-CB 3.48Å; V350-N353 PolarHBondContact O-N 3.45Å; V350-N353 PolarHBondContact O-OD1 2.82Å
351	H	98.1	Very high	96.7	Very high	34 Å²	34	17.5 Å²	17.5	16%	0.157	8%	0.084	C	C	.	.	G	3₁₀ helix	trans	-49.8	-34.9	-179.6	-162.2	47.8	0	0	0	114.4	H272 S273 D296 S319 F322 N353	H272-H351 AromaticContact CE1-CD2 3.99Å; H272-H351 AromaticContact CE1-CE1 3.56Å; H272-H351 AromaticContact CE1-ND1 3.96Å; H272-H351 AromaticContact CE1-NE2 3.57Å; H272-H351 PolarHBondContact CE1-O 3.24Å; H272-H351 AromaticContact NE2-CE1 3.32Å; H272-H351 PolarHBondContact NE2-CE1 2.95Å; H272-H351 VanDerWaalsContact NE2-CE1 3.32Å; H272-H351 AromaticContact NE2-ND1 3.48Å; H272-H351 PolarHBondContact NE2-ND1 3.28Å; H272-H351 AromaticContact NE2-NE2 3.82Å; H272-H351 PolarHBondContact NE2-O 3.42Å; H272-H351 VanDerWaalsContact NE2-O 3.08Å; S273-H351 WeakPolarHBondContact CB-CE1 3.38Å; S273-H351 WeakPolarHBondContact CB-NE2 3.47Å; S273-H351 PolarHBondContact OG-CE1 3.43Å; S273-H351 PolarHBondContact OG-NE2 3.28Å; D296-H351 WeakPolarHBondContact OD2-CA 3.42Å; D296-H351 IonicContact OD2-CE1 3.54Å; D296-H351 IonicContact OD2-CG 3.57Å; D296-H351 IonicContact OD2-ND1 3.64Å; D296-H351 PolarHBondContact OD2-ND1 3.18Å; S319-H351 PolarHBondContact OG-N 3.37Å; F322-H351 HydrophobicContact CB-CB 3.94Å; F322-H351 AromaticContact CD1-CE1 3.82Å; F322-H351 AromaticContact CD1-ND1 3.53Å; F322-H351 HydrophobicContact CD2-CB 3.75Å; F322-H351 AromaticContact CD2-CD2 3.87Å; F322-H351 AromaticContact CD2-CE1 3.84Å; F322-H351 AromaticContact CD2-CG 3.42Å; F322-H351 VanDerWaalsContact CD2-CG 3.42Å; F322-H351 AromaticContact CD2-ND1 3.41Å; F322-H351 WeakPolarHBondContact CD2-ND1 3.41Å; F322-H351 AromaticContact CE1-CE1 3.59Å; F322-H351 AromaticContact CE1-ND1 3.81Å; F322-H351 AromaticContact CE2-CD2 3.79Å; F322-H351 AromaticContact CE2-CE1 3.62Å; F322-H351 AromaticContact CE2-CG 3.8Å; F322-H351 AromaticContact CE2-ND1 3.7Å; F322-H351 AromaticContact CE2-NE2 3.68Å; F322-H351 HydrophobicContact CG-CB 3.99Å; F322-H351 AromaticContact CG-CE1 3.93Å; F322-H351 AromaticContact CG-CG 3.73Å; F322-H351 AromaticContact CG-ND1 3.32Å; F322-H351 VanDerWaalsContact CG-ND1 3.32Å; F322-H351 WeakPolarHBondContact CG-ND1 3.44Å; F322-H351 AromaticContact CZ-CE1 3.49Å; F322-H351 VanDerWaalsContact CZ-CE1 3.49Å; F322-H351 WeakPolarHBondContact CZ-CE1 3.42Å; F322-H351 AromaticContact CZ-ND1 3.88Å; F322-H351 AromaticContact CZ-NE2 3.81Å; H351-N353 VanDerWaalsContact C-N 3.33Å; H351-N353 PolarHBondContact O-N 2.88Å
352	Q	97.1	Very high	95.8	Very high	49 Å²	49	17.6 Å²	17.6	23%	0.229	9%	0.089	C	C	.	.	G	3₁₀ helix	trans	-79.7	-10	-177.3	-66.5	-64.8	-36.7	0	0	113.8	V350 F354 A355 T358 L371	V350-Q352 PolarHBondContact O-N 2.96Å; Q352-F354 PolarHBondContact O-N 3.33Å; Q352-F354 VanDerWaalsContact O-N 3.13Å; Q352-A355 PolarHBondContact O-N 3.05Å; Q352-A355 VanDerWaalsContact O-O 3.06Å; Q352-T358 WeakPolarHBondContact O-CB 3.41Å; Q352-L371 HydrophobicContact CB-CD2 4.35Å; Q352-L371 HydrophobicContact CG-CD2 3.99Å
353	N	98.3	Very high	94.8	Very high	3 Å²	3	21.5 Å²	21.5	2%	0.016	11%	0.106	C	C	.	.	G	3₁₀ helix	trans	-60.5	-22	177.4	-83.5	108.7	0	0	0	113.1	S349 V350 H351 A380	S349-N353 WeakPolarHBondContact CA-OD1 3.15Å; V350-N353 VanDerWaalsContact CG2-OD1 3.32Å; V350-N353 WeakPolarHBondContact CG2-OD1 3.46Å; V350-N353 PolarHBondContact N-OD1 2.64Å; V350-N353 WeakPolarHBondContact O-CB 3.48Å; V350-N353 PolarHBondContact O-N 3.45Å; V350-N353 PolarHBondContact O-OD1 2.82Å; H351-N353 VanDerWaalsContact C-N 3.33Å; H351-N353 PolarHBondContact O-N 2.88Å; N353-A380 HydrophobicContact CB-CB 4.27Å
354	F	98.3	Very high	93.7	Very high	3 Å²	3	28 Å²	28	1%	0.013	14%	0.14	C	C	.	.	G	3₁₀ helix	trans	-86.4	-5.2	175.4	-59.6	-76.3	0	0	0	114.2	Y160 I163 H272 L295 D296 I317 I346 Q352	Y160-F354 WeakPolarHBondContact CD1-O 3.48Å; Y160-F354 WeakPolarHBondContact CE1-O 3.22Å; I163-F354 WeakPolarHBondContact CD1-O 3.29Å; H272-F354 VanDerWaalsContact CD2-CB 3.43Å; H272-F354 WeakPolarHBondContact CD2-CB 3.46Å; H272-F354 AromaticContact CD2-CD2 3.78Å; H272-F354 AromaticContact CD2-CG 3.83Å; H272-F354 AromaticContact NE2-CD2 3.83Å; L295-F354 HydrophobicContact CB-CD1 4.04Å; L295-F354 HydrophobicContact CB-CE1 4.37Å; L295-F354 HydrophobicContact CB-CG 4.25Å; L295-F354 HydrophobicContact CD1-CD1 4.29Å; L295-F354 HydrophobicContact CD2-CD1 4.36Å; L295-F354 HydrophobicContact CD2-CE1 4.33Å; L295-F354 HydrophobicContact CG-CD1 4.46Å; D296-F354 HydrophobicContact CB-CD2 3.86Å; D296-F354 HydrophobicContact CB-CE2 3.61Å; D296-F354 HydrophobicContact CB-CZ 4.49Å; I317-F354 HydrophobicContact CG2-CE1 3.83Å; I317-F354 HydrophobicContact CG2-CZ 4.02Å; I317-F354 WeakPolarHBondContact O-CZ 3.49Å; I346-F354 HydrophobicContact CD1-CE1 4.07Å; I346-F354 HydrophobicContact CD1-CZ 4.1Å; Q352-F354 PolarHBondContact O-N 3.33Å; Q352-F354 VanDerWaalsContact O-N 3.13Å
355	A	97.7	Very high	92.7	Very high	1 Å²	1	32.2 Å²	32.2	1%	0.008	16%	0.162	C	C	.	.	S	Bend	trans	-118.8	150.5	-176	0	0	0	0	0	111.3	I159 Y160 Q352 F357 T358	I159-A355 HydrophobicContact CG2-CB 4.12Å; Y160-A355 HydrophobicContact CD1-CB 4.43Å; Y160-A355 HydrophobicContact CE1-CB 3.83Å; Q352-A355 PolarHBondContact O-N 3.05Å; Q352-A355 VanDerWaalsContact O-O 3.06Å; A355-F357 PolarHBondContact O-N 2.78Å; A355-T358 VanDerWaalsContact O-CG2 3.31Å; A355-T358 WeakPolarHBondContact O-CG2 3.32Å; A355-T358 PolarHBondContact O-N 3.5Å
356	D	98.1	Very high	91.6	Very high	1 Å²	1	32.2 Å²	32.2	1%	0.005	16%	0.162	C	C	.	.	G	3₁₀ helix	trans	-59.8	-23.7	-172.2	-66.9	-13.2	0	0	0	114	I56 W97 T158 I159 Y160 S161 A162 T358 F359 A360	I56-D356 HydrophobicContact CD1-CB 3.94Å; I56-D356 HydrophobicContact CG1-CB 4.27Å; W97-D356 HydrophobicContact CZ2-CB 3.59Å; W97-D356 PolarHBondContact NE1-OD2 2.73Å; T158-D356 VanDerWaalsContact O-OD2 3.11Å; I159-D356 WeakPolarHBondContact O-CB 3.24Å; I159-D356 PolarHBondContact O-N 3.05Å; Y160-D356 PolarHBondContact N-OD2 3.49Å; S161-D356 WeakPolarHBondContact CB-OD2 3.35Å; S161-D356 VanDerWaalsContact N-CG 3.29Å; S161-D356 PolarHBondContact N-OD1 3.36Å; S161-D356 PolarHBondContact N-OD2 3.29Å; S161-D356 VanDerWaalsContact OG-CG 3.28Å; S161-D356 PolarHBondContact OG-OD2 3.31Å; A162-D356 PolarHBondContact N-OD1 3.07Å; D356-T358 PolarHBondContact O-N 3.45Å; D356-T358 VanDerWaalsContact O-N 3.11Å; D356-F359 PolarHBondContact O-N 3.36Å; D356-A360 PolarHBondContact O-N 3.16Å
357	F	94.6	Very high	90.6	Very high	27 Å²	27	37 Å²	37	12%	0.118	18%	0.18	C	C	.	.	G	3₁₀ helix	trans	-59.5	-21.7	176.2	-84.9	-73.7	0	0	0	113.2	W97 I98 L107 I159 A355 F359 A360 L371	W97-F357 AromaticContact CH2-CD1 3.68Å; W97-F357 HydrophobicContact CH2-CD1 3.68Å; W97-F357 HydrophobicContact CH2-CD2 4.26Å; W97-F357 AromaticContact CH2-CE1 3.55Å; W97-F357 HydrophobicContact CH2-CE1 3.55Å; W97-F357 HydrophobicContact CH2-CE2 4.15Å; W97-F357 HydrophobicContact CH2-CG 4.02Å; W97-F357 AromaticContact CH2-CZ 3.78Å; W97-F357 HydrophobicContact CH2-CZ 3.78Å; W97-F357 HydrophobicContact CZ2-CD1 4.41Å; W97-F357 HydrophobicContact CZ2-CD2 4.22Å; W97-F357 HydrophobicContact CZ2-CE1 4.38Å; W97-F357 HydrophobicContact CZ2-CE2 4.2Å; W97-F357 HydrophobicContact CZ2-CG 4.31Å; W97-F357 HydrophobicContact CZ2-CZ 4.26Å; W97-F357 HydrophobicContact CZ3-CE1 4.28Å; I98-F357 HydrophobicContact CD1-CZ 4.03Å; L107-F357 HydrophobicContact CD1-CE2 4.16Å; L107-F357 HydrophobicContact CD1-CZ 3.68Å; L107-F357 HydrophobicContact CD2-CE2 4.29Å; I159-F357 HydrophobicContact CD1-CD2 4.4Å; I159-F357 HydrophobicContact CD1-CE2 3.74Å; I159-F357 HydrophobicContact CD1-CZ 4.46Å; I159-F357 HydrophobicContact CG2-CD2 4.07Å; I159-F357 HydrophobicContact CG2-CE2 4.33Å; A355-F357 PolarHBondContact O-N 2.78Å; F357-F359 PolarHBondContact O-N 2.96Å; F357-A360 HydrophobicContact CD1-CB 4.22Å; F357-A360 PolarHBondContact O-N 2.91Å; F357-L371 HydrophobicContact CB-CD2 4.13Å
358	T	95.7	Very high	89.6	Confident	0 Å²	0	38.9 Å²	38.9	0%	0	20%	0.195	C	C	.	.	G	3₁₀ helix	trans	-61.9	-26.8	172.3	-157.7	0	0	0	0	112.4	Q352 A355 D356 L371 K372 S377	Q352-T358 WeakPolarHBondContact O-CB 3.41Å; A355-T358 VanDerWaalsContact O-CG2 3.31Å; A355-T358 WeakPolarHBondContact O-CG2 3.32Å; A355-T358 PolarHBondContact O-N 3.5Å; D356-T358 PolarHBondContact O-N 3.45Å; D356-T358 VanDerWaalsContact O-N 3.11Å; T358-L371 WeakPolarHBondContact CA-O 3.36Å; T358-L371 VanDerWaalsContact CB-O 3.22Å; T358-L371 WeakPolarHBondContact CB-O 3.2Å; T358-L371 PolarHBondContact OG1-O 2.58Å; T358-K372 WeakPolarHBondContact O-CE 3.42Å; T358-K372 PolarHBondContact O-NZ 2.85Å; T358-S377 PolarHBondContact O-OG 3.26Å; T358-S377 PolarHBondContact OG1-OG 2.79Å
359	F	94.5	Very high	88.8	Confident	5 Å²	5	43.1 Å²	43.1	2%	0.022	22%	0.215	C	C	.	.	G	3₁₀ helix	trans	-96.3	-7.3	178.7	-53.1	-71.3	0	0	0	113.5	A54 K55 I56 P57 A162 D356 F357 T361 D378 I381	A54-F359 CarbonylContact C-O 3.6Å; A54-F359 VanDerWaalsContact CA-O 3.26Å; A54-F359 WeakPolarHBondContact CA-O 3.47Å; A54-F359 VanDerWaalsContact CB-O 3.26Å; A54-F359 WeakPolarHBondContact CB-O 3.31Å; K55-F359 PolarHBondContact N-O 3.45Å; I56-F359 HydrophobicContact CG1-CB 4.2Å; P57-F359 HydrophobicContact CG-CD1 4.49Å; P57-F359 HydrophobicContact CG-CE1 4.07Å; P57-F359 HydrophobicContact CG-CE2 4.26Å; P57-F359 HydrophobicContact CG-CZ 3.97Å; A162-F359 HydrophobicContact CB-CD2 4.32Å; A162-F359 HydrophobicContact CB-CE2 3.73Å; D356-F359 PolarHBondContact O-N 3.36Å; F357-F359 PolarHBondContact O-N 2.96Å; F359-T361 PolarHBondContact O-N 3.39Å; F359-D378 VanDerWaalsContact CE1-OD1 3.26Å; F359-D378 WeakPolarHBondContact CE1-OD1 3.49Å; F359-I381 HydrophobicContact CE1-CG2 4.44Å; F359-I381 HydrophobicContact CZ-CB 4Å; F359-I381 HydrophobicContact CZ-CG2 3.72Å
360	A	88.8	Confident	88.4	Confident	20 Å²	20	50.7 Å²	50.7	17%	0.165	25%	0.248	C	C	.	.	S	Bend	trans	-84.9	-5.7	-171.9	0	0	0	0	0	114.4	W97 F125 D356 F357	W97-A360 HydrophobicContact CH2-CB 3.84Å; W97-A360 HydrophobicContact CZ3-CB 4.05Å; F125-A360 HydrophobicContact CD1-CB 4.48Å; F125-A360 HydrophobicContact CE1-CB 4.08Å; F125-A360 WeakPolarHBondContact CE1-O 3.22Å; D356-A360 PolarHBondContact O-N 3.16Å; F357-A360 HydrophobicContact CD1-CB 4.22Å; F357-A360 PolarHBondContact O-N 2.91Å
361	T	82.8	Confident	87.9	Confident	14 Å²	14	51 Å²	51	9%	0.086	25%	0.248	C	C	.	.	S	Bend	trans	-139.6	152.3	-177.9	61.4	0	0	0	0	112	F125 F359 I365 G366 L371 K372	F125-T361 HydrophobicContact CZ-CG2 4.34Å; F359-T361 PolarHBondContact O-N 3.39Å; T361-I365 HydrophobicContact CG2-CG2 4.25Å; T361-G366 VanDerWaalsContact OG1-CA 3.23Å; T361-G366 WeakPolarHBondContact OG1-CA 3.33Å; T361-G366 PolarHBondContact OG1-N 3.28Å; T361-L371 HydrophobicContact CG2-CD1 4.09Å; T361-K372 WeakPolarHBondContact O-CE 3.44Å
362	G	80.6	Confident	87.7	Confident	17 Å²	17	50.8 Å²	50.8	18%	0.175	25%	0.247	C	C	.	.			trans	-63.1	159.6	171.9	0	0	0	0	0	112.6	I364 I365 G366	G362-I364 PolarHBondContact O-N 3.09Å; G362-I365 PolarHBondContact O-N 2.97Å; G362-G366 PolarHBondContact O-N 3.09Å
363	K	77.4	Confident	87.5	Confident	129 Å²	129	48.7 Å²	48.7	56%	0.561	24%	0.239	S	C	*	.	H	α-helix	trans	-51.4	-46.6	-170	-173.3	170.3	176.9	167.1	0	114.7	R367	K363-R367 WeakPolarHBondContact O-CG 3.22Å; K363-R367 PolarHBondContact O-N 3.3Å
364	I	75	Confident	87.4	Confident	150 Å²	150	53.2 Å²	53.2	77%	0.769	26%	0.263	S	S	*	.	H	α-helix	trans	-65	-51.6	-176.3	-60.4	173	0	0	0	110.9	G362 G366 R367 M368	G362-I364 PolarHBondContact O-N 3.09Å; I364-G366 VanDerWaalsContact C-N 3.34Å; I364-R367 PolarHBondContact O-N 2.68Å; I364-M368 PolarHBondContact O-N 3.44Å; I364-M368 VanDerWaalsContact O-N 3.08Å
365	I	78.5	Confident	87.3	Confident	90 Å²	90	53.9 Å²	53.9	46%	0.462	27%	0.266	S	S	.	.	H	α-helix	trans	-64.9	-42.4	179.4	-63.7	173.8	0	0	0	110	T361 G362 R367 M368 L369	T361-I365 HydrophobicContact CG2-CG2 4.25Å; G362-I365 PolarHBondContact O-N 2.97Å; I365-R367 PolarHBondContact O-N 2.96Å; I365-M368 PolarHBondContact O-N 2.86Å; I365-L369 HydrophobicContact CG2-CD1 3.71Å; I365-L369 HydrophobicContact CG2-CG 4.23Å; I365-L369 WeakPolarHBondContact O-CB 3.36Å; I365-L369 WeakPolarHBondContact O-CG 3.21Å; I365-L369 PolarHBondContact O-N 2.9Å
366	G	76.1	Confident	87.2	Confident	0 Å²	0	57.6 Å²	57.6	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-59.1	-43.4	178.9	0	0	0	0	0	112.8	T361 G362 I364 L369 K370 L371 K372	T361-G366 VanDerWaalsContact OG1-CA 3.23Å; T361-G366 WeakPolarHBondContact OG1-CA 3.33Å; T361-G366 PolarHBondContact OG1-N 3.28Å; G362-G366 PolarHBondContact O-N 3.09Å; I364-G366 VanDerWaalsContact C-N 3.34Å; G366-L369 PolarHBondContact O-N 2.75Å; G366-K370 PolarHBondContact O-N 2.86Å; G366-K370 VanDerWaalsContact O-N 3.14Å; G366-L371 PolarHBondContact O-N 3.34Å; G366-K372 PolarHBondContact O-N 2.88Å; G366-K372 VanDerWaalsContact O-N 3.17Å
367	R	77.8	Confident	87.1	Confident	102 Å²	102	57.6 Å²	57.6	39%	0.385	29%	0.286	S	S	.	.	H	α-helix	trans	-67.8	-43.5	175	-74.8	-175.1	175.3	-177.2	-1	112.4	K363 I364 I365 L369 K370 K372 G373 D374	K363-R367 WeakPolarHBondContact O-CG 3.22Å; K363-R367 PolarHBondContact O-N 3.3Å; I364-R367 PolarHBondContact O-N 2.68Å; I365-R367 PolarHBondContact O-N 2.96Å; R367-L369 PolarHBondContact O-N 3.41Å; R367-K370 PolarHBondContact O-N 3.31Å; R367-K372 HydrophobicContact CG-CB 4.24Å; R367-G373 PolarHBondContact NE-O 3.32Å; R367-D374 PolarHBondContact NH2-O 2.82Å
368	M	77.3	Confident	87.2	Confident	144 Å²	144	59.7 Å²	59.7	71%	0.709	30%	0.298	S	S	*	.	H	α-helix	trans	-58.6	-36.9	176.9	-175.7	-175.2	67.2	0	0	112.2	I364 I365	I364-M368 PolarHBondContact O-N 3.44Å; I364-M368 VanDerWaalsContact O-N 3.08Å; I365-M368 PolarHBondContact O-N 2.86Å
369	L	82.4	Confident	87.3	Confident	96 Å²	96	62.7 Å²	62.7	50%	0.503	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.8	4.8	178.8	-62.8	-179.8	0	0	0	113.8	I365 G366 R367 L371	I365-L369 HydrophobicContact CG2-CD1 3.71Å; I365-L369 HydrophobicContact CG2-CG 4.23Å; I365-L369 WeakPolarHBondContact O-CB 3.36Å; I365-L369 WeakPolarHBondContact O-CG 3.21Å; I365-L369 PolarHBondContact O-N 2.9Å; G366-L369 PolarHBondContact O-N 2.75Å; R367-L369 PolarHBondContact O-N 3.41Å; L369-L371 HydrophobicContact CB-CD1 4.13Å; L369-L371 HydrophobicContact CB-CG 3.87Å; L369-L371 HydrophobicContact CD1-CD1 4.25Å; L369-L371 PolarHBondContact O-N 3.04Å
370	K	88.9	Confident	87.5	Confident	160 Å²	160	62.5 Å²	62.5	70%	0.696	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.7	28.8	-174.6	-54.9	-175.4	176.7	-172.2	0	114	G366 R367	G366-K370 PolarHBondContact O-N 2.86Å; G366-K370 VanDerWaalsContact O-N 3.14Å; R367-K370 PolarHBondContact O-N 3.31Å
371	L	88.8	Confident	88	Confident	25 Å²	25	61.7 Å²	61.7	13%	0.131	31%	0.309	C	S	.	.	S	Bend	trans	-84.3	-24.1	171.9	-57.6	-178.9	0	0	0	111.7	Q352 F357 T358 T361 G366 L369	Q352-L371 HydrophobicContact CB-CD2 4.35Å; Q352-L371 HydrophobicContact CG-CD2 3.99Å; F357-L371 HydrophobicContact CB-CD2 4.13Å; T358-L371 WeakPolarHBondContact CA-O 3.36Å; T358-L371 VanDerWaalsContact CB-O 3.22Å; T358-L371 WeakPolarHBondContact CB-O 3.2Å; T358-L371 PolarHBondContact OG1-O 2.58Å; T361-L371 HydrophobicContact CG2-CD1 4.09Å; G366-L371 PolarHBondContact O-N 3.34Å; L369-L371 HydrophobicContact CB-CD1 4.13Å; L369-L371 HydrophobicContact CB-CG 3.87Å; L369-L371 HydrophobicContact CD1-CD1 4.25Å; L369-L371 PolarHBondContact O-N 3.04Å
372	K	93.3	Very high	88.7	Confident	31 Å²	31	63.1 Å²	63.1	14%	0.135	32%	0.316	C	S	.	.	S	Bend	trans	-125.1	142.9	178	-65	-177.6	170.8	-75.7	0	110.1	T358 T361 G366 R367 S377	T358-K372 WeakPolarHBondContact O-CE 3.42Å; T358-K372 PolarHBondContact O-NZ 2.85Å; T361-K372 WeakPolarHBondContact O-CE 3.44Å; G366-K372 PolarHBondContact O-N 2.88Å; G366-K372 VanDerWaalsContact O-N 3.17Å; R367-K372 HydrophobicContact CG-CB 4.24Å; K372-S377 PolarHBondContact NZ-OG 3.37Å
373	G	92.7	Very high	89.6	Confident	5 Å²	5	62.9 Å²	62.9	5%	0.052	31%	0.311	C	S	.	.			trans	-90.8	-159.8	173.6	0	0	0	0	0	113.2	G348 R367	G348-G373 CarbonylContact O-C 3.54Å; G348-G373 WeakPolarHBondContact O-CA 3.21Å; R367-G373 PolarHBondContact NE-O 3.32Å
374	D	95.4	Very high	90.6	Very high	97 Å²	97	56.8 Å²	56.8	52%	0.519	28%	0.284	S	S	.	.	S	Bend	trans	-76.7	-39.4	171.9	-71.8	-28.9	0	0	0	111.4	Y321 G348 R367	Y321-D374 PolarHBondContact OH-OD2 3.28Å; G348-D374 PolarHBondContact O-N 3.15Å; R367-D374 PolarHBondContact NH2-O 2.82Å
375	I	96.3	Very high	91.8	Very high	18 Å²	18	49.9 Å²	49.9	9%	0.092	25%	0.249	C	C	.	.	S	Bend	trans	-66.7	148.5	169.2	-166.2	170.5	0	0	0	110.9	I346 R347 G348 V379 A380 L383 N415	I346-I375 HydrophobicContact CG2-CD1 3.75Å; R347-I375 WeakPolarHBondContact O-CB 3.43Å; R347-I375 WeakPolarHBondContact O-CG2 3.41Å; G348-I375 PolarHBondContact O-N 3.49Å; I375-V379 HydrophobicContact CD1-CG1 4.07Å; I375-V379 HydrophobicContact CG1-CB 4.36Å; I375-V379 HydrophobicContact CG1-CG1 4.27Å; I375-A380 HydrophobicContact CD1-CB 4.23Å; I375-A380 HydrophobicContact CG1-CB 4.46Å; I375-A380 HydrophobicContact CG2-CB 3.87Å; I375-L383 HydrophobicContact CD1-CD1 4.11Å; I375-N415 HydrophobicContact CD1-CB 3.98Å
376	D	96.2	Very high	92.7	Very high	79 Å²	79	48.5 Å²	48.5	42%	0.422	24%	0.239	S	C	.	.			trans	-63.6	144.1	171.7	-176.8	-95.8	0	0	0	111.6	D378 V379 A380	D376-D378 WeakPolarHBondContact OD1-CB 3.2Å; D376-D378 PolarHBondContact OD1-N 3.07Å; D376-V379 HydrophobicContact CB-CB 4.16Å; D376-V379 HydrophobicContact CB-CG2 3.89Å; D376-V379 PolarHBondContact OD1-N 2.87Å; D376-A380 WeakPolarHBondContact O-CB 3.49Å; D376-A380 PolarHBondContact O-N 3.03Å
377	S	96.3	Very high	93.8	Very high	1 Å²	1	48.5 Å²	48.5	1%	0.007	24%	0.239	C	C	.	.	H	α-helix	trans	-67.8	-38	-175.8	-67.3	0	0	0	0	112.6	T358 K372 I381	T358-S377 PolarHBondContact O-OG 3.26Å; T358-S377 PolarHBondContact OG1-OG 2.79Å; K372-S377 PolarHBondContact NZ-OG 3.37Å; S377-I381 PolarHBondContact O-N 3.11Å; S377-I381 VanDerWaalsContact O-N 3.1Å
378	D	96.7	Very high	94.8	Very high	70 Å²	70	43.9 Å²	43.9	37%	0.374	22%	0.223	S	C	.	.	H	α-helix	trans	-71.5	-42.3	180	-62.9	-64	0	0	0	109.6	F359 D376 A380 I381 D382	F359-D378 VanDerWaalsContact CE1-OD1 3.26Å; F359-D378 WeakPolarHBondContact CE1-OD1 3.49Å; D376-D378 WeakPolarHBondContact OD1-CB 3.2Å; D376-D378 PolarHBondContact OD1-N 3.07Å; D378-A380 PolarHBondContact O-N 2.82Å; D378-I381 WeakPolarHBondContact O-CG2 3.47Å; D378-I381 PolarHBondContact O-N 3.11Å; D378-D382 VanDerWaalsContact O-CB 3.3Å; D378-D382 WeakPolarHBondContact O-CB 3.19Å; D378-D382 PolarHBondContact O-N 3.32Å
379	V	98.1	Very high	95.9	Very high	63 Å²	63	37 Å²	37	38%	0.382	19%	0.189	S	C	.	.	H	α-helix	trans	-60.9	-44.2	174.4	-179.6	0	0	0	0	111.7	I375 D376 D382 L383	I375-V379 HydrophobicContact CD1-CG1 4.07Å; I375-V379 HydrophobicContact CG1-CB 4.36Å; I375-V379 HydrophobicContact CG1-CG1 4.27Å; D376-V379 HydrophobicContact CB-CB 4.16Å; D376-V379 HydrophobicContact CB-CG2 3.89Å; D376-V379 PolarHBondContact OD1-N 2.87Å; V379-D382 PolarHBondContact O-N 3.47Å; V379-L383 HydrophobicContact CG1-CD1 4.16Å; V379-L383 WeakPolarHBondContact O-CG 3.14Å; V379-L383 PolarHBondContact O-N 3.04Å
380	A	98.6	Very high	96.6	Very high	2 Å²	2	32.4 Å²	32.4	2%	0.017	17%	0.165	C	C	.	.	H	α-helix	trans	-64.5	-43.1	179.9	0	0	0	0	0	112.7	I346 N353 I375 D376 D378 S384	I346-A380 HydrophobicContact CG2-CB 4.27Å; N353-A380 HydrophobicContact CB-CB 4.27Å; I375-A380 HydrophobicContact CD1-CB 4.23Å; I375-A380 HydrophobicContact CG1-CB 4.46Å; I375-A380 HydrophobicContact CG2-CB 3.87Å; D376-A380 WeakPolarHBondContact O-CB 3.49Å; D376-A380 PolarHBondContact O-N 3.03Å; D378-A380 PolarHBondContact O-N 2.82Å; A380-S384 PolarHBondContact O-N 3.48Å; A380-S384 VanDerWaalsContact O-N 3.17Å
381	I	98.4	Very high	97.1	Very high	3 Å²	3	24.8 Å²	24.8	2%	0.015	13%	0.132	C	C	.	.	H	α-helix	trans	-70.7	-35.4	178.4	-156.6	69.5	0	0	0	111.3	P57 A162 I163 F359 S377 D378 S384 N385	P57-I381 HydrophobicContact CG-CG2 4.39Å; A162-I381 HydrophobicContact CB-CG1 4.41Å; I163-I381 HydrophobicContact CD1-CD1 4.04Å; I163-I381 HydrophobicContact CG1-CD1 3.64Å; I163-I381 HydrophobicContact CG1-CG1 4.32Å; F359-I381 HydrophobicContact CE1-CG2 4.44Å; F359-I381 HydrophobicContact CZ-CB 4Å; F359-I381 HydrophobicContact CZ-CG2 3.72Å; S377-I381 PolarHBondContact O-N 3.11Å; S377-I381 VanDerWaalsContact O-N 3.1Å; D378-I381 WeakPolarHBondContact O-CG2 3.47Å; D378-I381 PolarHBondContact O-N 3.11Å; I381-S384 PolarHBondContact O-N 3.03Å; I381-N385 VanDerWaalsContact O-CB 3.29Å; I381-N385 WeakPolarHBondContact O-CB 3.4Å; I381-N385 PolarHBondContact O-N 2.93Å
382	D	98.6	Very high	97.6	Very high	44 Å²	44	23.6 Å²	23.6	24%	0.235	13%	0.126	C	C	.	.	H	α-helix	trans	-59.5	-47.5	174.9	-102.3	29.7	0	0	0	111.9	N60 D378 V379 S384 N385 K386	N60-D382 PolarHBondContact ND2-OD1 2.58Å; D378-D382 VanDerWaalsContact O-CB 3.3Å; D378-D382 WeakPolarHBondContact O-CB 3.19Å; D378-D382 PolarHBondContact O-N 3.32Å; V379-D382 PolarHBondContact O-N 3.47Å; D382-S384 PolarHBondContact O-N 2.8Å; D382-N385 PolarHBondContact O-N 3.03Å; D382-K386 VanDerWaalsContact O-CB 3.31Å; D382-K386 WeakPolarHBondContact O-CB 3.45Å; D382-K386 VanDerWaalsContact O-CG 3.28Å; D382-K386 WeakPolarHBondContact O-CG 3.39Å; D382-K386 PolarHBondContact O-N 3.13Å; D382-K386 IonicContact OD2-NZ 2.67Å; D382-K386 PolarHBondContact OD2-NZ 2.83Å
383	L	98.9	Very high	97.9	Very high	12 Å²	12	23.1 Å²	23.1	6%	0.063	12%	0.124	C	C	.	.	H	α-helix	trans	-60.3	-46.2	176.7	-72.8	165.8	0	0	0	111.1	I346 I375 V379 A387 L408 D413 N415 L416	I346-L383 HydrophobicContact CG2-CD1 4.22Å; I375-L383 HydrophobicContact CD1-CD1 4.11Å; V379-L383 HydrophobicContact CG1-CD1 4.16Å; V379-L383 WeakPolarHBondContact O-CG 3.14Å; V379-L383 PolarHBondContact O-N 3.04Å; L383-A387 WeakPolarHBondContact O-CB 3.48Å; L383-A387 PolarHBondContact O-N 3.28Å; L383-L408 HydrophobicContact CD2-CD1 4.47Å; L383-L408 HydrophobicContact CD2-CD2 4.2Å; L383-D413 HydrophobicContact CD2-CB 4.41Å; L383-N415 HydrophobicContact CD1-CB 3.61Å; L383-L416 HydrophobicContact CB-CD2 4.41Å; L383-L416 HydrophobicContact CD1-CD2 4.31Å; L383-L416 HydrophobicContact CD2-CD1 4.31Å; L383-L416 HydrophobicContact CD2-CG 4.32Å
384	S	98.9	Very high	98.2	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-60.5	-46	177.2	-177.5	0	0	0	0	111.8	A380 I381 D382 S388	A380-S384 PolarHBondContact O-N 3.48Å; A380-S384 VanDerWaalsContact O-N 3.17Å; I381-S384 PolarHBondContact O-N 3.03Å; D382-S384 PolarHBondContact O-N 2.8Å; S384-S388 VanDerWaalsContact O-CB 3.25Å; S384-S388 WeakPolarHBondContact O-CB 3.19Å; S384-S388 PolarHBondContact O-N 3.37Å; S384-S388 PolarHBondContact O-OG 3.19Å
385	N	98.9	Very high	98.3	Very high	6 Å²	6	24.8 Å²	24.8	3%	0.032	13%	0.126	C	C	.	.	H	α-helix	trans	-69.1	-48.5	-176.8	-74.5	-8.4	0	0	0	111.5	D166 I381 D382 A387 S388 L389	D166-N385 VanDerWaalsContact CB-ND2 3.29Å; D166-N385 WeakPolarHBondContact CB-ND2 3.31Å; D166-N385 WeakPolarHBondContact OD2-CB 3.44Å; D166-N385 PolarHBondContact OD2-ND2 3.24Å; I381-N385 VanDerWaalsContact O-CB 3.29Å; I381-N385 WeakPolarHBondContact O-CB 3.4Å; I381-N385 PolarHBondContact O-N 2.93Å; D382-N385 PolarHBondContact O-N 3.03Å; N385-A387 PolarHBondContact O-N 2.89Å; N385-S388 CarbonylContact O-C 3.57Å; N385-S388 WeakPolarHBondContact O-CA 3.42Å; N385-S388 WeakPolarHBondContact O-CB 3.27Å; N385-S388 PolarHBondContact O-N 3.02Å; N385-S388 VanDerWaalsContact O-N 3.13Å; N385-L389 WeakPolarHBondContact O-CG 3.5Å; N385-L389 PolarHBondContact O-N 3.09Å
386	K	98.9	Very high	98.4	Very high	60 Å²	60	24.5 Å²	24.5	26%	0.261	12%	0.124	S	C	.	.	H	α-helix	trans	-61.8	-45.6	178.8	-71.5	170.4	-179.2	157.3	0	111.9	D382 S388 L389 A390 W405 L408	D382-K386 VanDerWaalsContact O-CB 3.31Å; D382-K386 WeakPolarHBondContact O-CB 3.45Å; D382-K386 VanDerWaalsContact O-CG 3.28Å; D382-K386 WeakPolarHBondContact O-CG 3.39Å; D382-K386 PolarHBondContact O-N 3.13Å; D382-K386 IonicContact OD2-NZ 2.67Å; D382-K386 PolarHBondContact OD2-NZ 2.83Å; K386-S388 VanDerWaalsContact C-N 3.29Å; K386-S388 PolarHBondContact O-N 3.42Å; K386-L389 PolarHBondContact O-N 3.1Å; K386-A390 PolarHBondContact O-N 3.13Å; K386-W405 HydrophobicContact CB-CB 4.19Å; K386-W405 HydrophobicContact CB-CD2 3.74Å; K386-W405 HydrophobicContact CB-CE3 4.02Å; K386-W405 HydrophobicContact CB-CG 3.81Å; K386-W405 HydrophobicContact CD-CD2 4.36Å; K386-W405 HydrophobicContact CD-CG 4.5Å; K386-W405 HydrophobicContact CD-CZ2 4.4Å; K386-W405 HydrophobicContact CG-CD2 3.8Å; K386-W405 HydrophobicContact CG-CE3 4.13Å; K386-W405 HydrophobicContact CG-CG 4.22Å; K386-W405 HydrophobicContact CG-CH2 4.37Å; K386-W405 HydrophobicContact CG-CZ2 4.08Å; K386-W405 HydrophobicContact CG-CZ3 4.4Å; K386-L408 HydrophobicContact CB-CD1 3.52Å; K386-L408 HydrophobicContact CD-CD1 4.49Å
387	A	98.9	Very high	98.5	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-62.1	-38	174.4	0	0	0	0	0	111.8	F315 I317 I344 L383 N385 F391 L408	F315-A387 HydrophobicContact CE1-CB 3.96Å; F315-A387 HydrophobicContact CZ-CB 4.25Å; I317-A387 HydrophobicContact CD1-CB 4.45Å; I344-A387 HydrophobicContact CD1-CB 3.98Å; L383-A387 WeakPolarHBondContact O-CB 3.48Å; L383-A387 PolarHBondContact O-N 3.28Å; N385-A387 PolarHBondContact O-N 2.89Å; A387-F391 WeakPolarHBondContact O-CB 3.3Å; A387-F391 PolarHBondContact O-N 2.97Å; A387-F391 VanDerWaalsContact O-N 3.07Å; A387-L408 HydrophobicContact CB-CB 3.79Å
388	S	98.9	Very high	98.6	Very high	5 Å²	5	23.6 Å²	23.6	4%	0.035	13%	0.129	C	C	.	.	H	α-helix	trans	-65.7	-44.5	175.6	-62.8	0	0	0	0	112.2	I317 S384 N385 K386 F391 L392	I317-S388 WeakPolarHBondContact CD1-OG 3.24Å; S384-S388 VanDerWaalsContact O-CB 3.25Å; S384-S388 WeakPolarHBondContact O-CB 3.19Å; S384-S388 PolarHBondContact O-N 3.37Å; S384-S388 PolarHBondContact O-OG 3.19Å; N385-S388 CarbonylContact O-C 3.57Å; N385-S388 WeakPolarHBondContact O-CA 3.42Å; N385-S388 WeakPolarHBondContact O-CB 3.27Å; N385-S388 PolarHBondContact O-N 3.02Å; N385-S388 VanDerWaalsContact O-N 3.13Å; K386-S388 VanDerWaalsContact C-N 3.29Å; K386-S388 PolarHBondContact O-N 3.42Å; S388-F391 PolarHBondContact O-N 3.11Å; S388-L392 WeakPolarHBondContact O-CB 3.48Å; S388-L392 WeakPolarHBondContact O-CG 3.39Å; S388-L392 PolarHBondContact O-N 3.18Å
389	L	98.9	Very high	98.7	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-61.3	-44.6	178.2	-73.8	165.6	0	0	0	111.7	L167 H170 F172 N385 K386 L392 Q393 F402 W405	L167-L389 HydrophobicContact CD2-CD2 3.86Å; L167-L389 HydrophobicContact CD2-CG 4.41Å; H170-L389 HydrophobicContact CB-CD1 4.49Å; H170-L389 HydrophobicContact CB-CD2 3.8Å; F172-L389 HydrophobicContact CD2-CD2 4.37Å; F172-L389 HydrophobicContact CE2-CD2 3.66Å; F172-L389 HydrophobicContact CZ-CD2 4.41Å; N385-L389 WeakPolarHBondContact O-CG 3.5Å; N385-L389 PolarHBondContact O-N 3.09Å; K386-L389 PolarHBondContact O-N 3.1Å; L389-L392 PolarHBondContact O-N 3.32Å; L389-Q393 WeakPolarHBondContact O-CB 3.41Å; L389-Q393 PolarHBondContact O-N 2.81Å; L389-F402 HydrophobicContact CB-CB 4.05Å; L389-F402 HydrophobicContact CB-CD1 4.42Å; L389-F402 HydrophobicContact CB-CD2 3.99Å; L389-F402 HydrophobicContact CB-CG 3.9Å; L389-F402 HydrophobicContact CD2-CD2 4.07Å; L389-F402 HydrophobicContact CD2-CE2 3.86Å; L389-F402 HydrophobicContact CD2-CZ 4.17Å; L389-W405 HydrophobicContact CB-CE3 4.17Å; L389-W405 HydrophobicContact CB-CZ3 4.02Å; L389-W405 HydrophobicContact CD1-CE3 4.47Å; L389-W405 HydrophobicContact CD1-CH2 4.37Å; L389-W405 HydrophobicContact CD1-CZ3 3.71Å
390	A	98.9	Very high	98.7	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-60.4	-46	175	0	0	0	0	0	111.6	K386 L392 Q393 K394 F402 W405 I409	K386-A390 PolarHBondContact O-N 3.13Å; A390-L392 PolarHBondContact O-N 3.45Å; A390-Q393 PolarHBondContact O-N 2.71Å; A390-K394 PolarHBondContact O-N 3.2Å; A390-F402 VanDerWaalsContact CB-O 3.31Å; A390-F402 WeakPolarHBondContact CB-O 3.31Å; A390-W405 HydrophobicContact CB-CB 4.13Å; A390-I409 HydrophobicContact CB-CD1 3.7Å; A390-I409 HydrophobicContact CB-CG1 3.96Å
391	F	98.9	Very high	98.6	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-63.5	-43.2	177.7	-173.8	-94.7	0	0	0	112.3	C291 I293 P313 F315 K342 A387 S388 K394 H395 I409	C291-F391 HydrophobicContact CB-CE1 4Å; I293-F391 HydrophobicContact CD1-CB 4.43Å; I293-F391 HydrophobicContact CD1-CD1 3.91Å; I293-F391 HydrophobicContact CG1-CD1 3.76Å; I293-F391 HydrophobicContact CG1-CE1 4.16Å; P313-F391 HydrophobicContact CB-CE1 4.47Å; P313-F391 HydrophobicContact CB-CZ 3.75Å; F315-F391 HydrophobicContact CB-CD1 3.87Å; F315-F391 HydrophobicContact CB-CD2 3.79Å; F315-F391 HydrophobicContact CB-CE1 3.75Å; F315-F391 HydrophobicContact CB-CE2 3.69Å; F315-F391 HydrophobicContact CB-CG 3.89Å; F315-F391 HydrophobicContact CB-CZ 3.67Å; F315-F391 HydrophobicContact CD1-CB 3.76Å; F315-F391 HydrophobicContact CD1-CD1 4.3Å; F315-F391 AromaticContact CD1-CD2 3.93Å; F315-F391 HydrophobicContact CD1-CD2 3.93Å; F315-F391 AromaticContact CD1-CG 3.73Å; F315-F391 HydrophobicContact CD1-CG 3.73Å; F315-F391 HydrophobicContact CE1-CB 4.23Å; F315-F391 AromaticContact CG-CD2 3.97Å; F315-F391 HydrophobicContact CG-CD2 3.97Å; F315-F391 HydrophobicContact CG-CE2 4.27Å; F315-F391 HydrophobicContact CG-CG 4.11Å; K342-F391 HydrophobicContact CG-CE2 4.46Å; A387-F391 WeakPolarHBondContact O-CB 3.3Å; A387-F391 PolarHBondContact O-N 2.97Å; A387-F391 VanDerWaalsContact O-N 3.07Å; S388-F391 PolarHBondContact O-N 3.11Å; F391-K394 PolarHBondContact O-N 3.38Å; F391-H395 AromaticContact CD1-CD2 3.88Å; F391-H395 AromaticContact CD2-CD2 3.51Å; F391-H395 AromaticContact CD2-NE2 3.63Å; F391-H395 AromaticContact CE1-CD2 3.65Å; F391-H395 AromaticContact CE2-CD2 3.23Å; F391-H395 WeakPolarHBondContact CE2-CD2 3.35Å; F391-H395 AromaticContact CE2-NE2 3.22Å; F391-H395 WeakPolarHBondContact CE2-NE2 3.06Å; F391-H395 AromaticContact CG-CD2 3.82Å; F391-H395 AromaticContact CZ-CD2 3.31Å; F391-H395 WeakPolarHBondContact CZ-CD2 3.23Å; F391-H395 AromaticContact CZ-NE2 3.7Å; F391-H395 PolarHBondContact O-CD2 3.23Å; F391-H395 PolarHBondContact O-N 3.22Å; F391-H395 VanDerWaalsContact O-N 3.13Å; F391-I409 HydrophobicContact CB-CD1 4.17Å; F391-I409 HydrophobicContact CB-CG1 4.49Å; F391-I409 HydrophobicContact CD2-CG2 4.37Å
392	L	98.9	Very high	98.7	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-61.9	-43	175.5	-71	167.5	0	0	0	111.1	L167 F172 A268 I270 I293 S388 L389 A390 H395 L396 L398	L167-L392 HydrophobicContact CD2-CD1 3.79Å; F172-L392 HydrophobicContact CE1-CB 4.38Å; F172-L392 HydrophobicContact CE1-CD1 3.96Å; F172-L392 HydrophobicContact CZ-CB 4.04Å; F172-L392 HydrophobicContact CZ-CD1 3.81Å; A268-L392 HydrophobicContact CB-CD2 3.44Å; A268-L392 VanDerWaalsContact CB-CD2 3.44Å; I270-L392 HydrophobicContact CD1-CD1 4.25Å; I293-L392 HydrophobicContact CD1-CD2 4.27Å; I293-L392 HydrophobicContact CD1-CG 4.02Å; S388-L392 WeakPolarHBondContact O-CB 3.48Å; S388-L392 WeakPolarHBondContact O-CG 3.39Å; S388-L392 PolarHBondContact O-N 3.18Å; L389-L392 PolarHBondContact O-N 3.32Å; A390-L392 PolarHBondContact O-N 3.45Å; L392-H395 PolarHBondContact O-N 3.27Å; L392-L396 HydrophobicContact CB-CD1 4.39Å; L392-L396 HydrophobicContact CD2-CD1 4.01Å; L392-L396 WeakPolarHBondContact O-CB 3.42Å; L392-L396 VanDerWaalsContact O-CG 3.31Å; L392-L396 WeakPolarHBondContact O-CG 3.26Å; L392-L396 PolarHBondContact O-N 2.86Å; L392-L398 HydrophobicContact CB-CD1 4.3Å
393	Q	98.8	Very high	98.6	Very high	20 Å²	20	36.9 Å²	36.9	9%	0.093	19%	0.188	C	C	.	.	H	α-helix	trans	-59.3	-50.7	176.4	171.3	158.5	-45.3	0	0	111.9	L389 A390 H395 G397 L398 K400 F402 D403	L389-Q393 WeakPolarHBondContact O-CB 3.41Å; L389-Q393 PolarHBondContact O-N 2.81Å; A390-Q393 PolarHBondContact O-N 2.71Å; Q393-H395 VanDerWaalsContact C-N 3.29Å; Q393-H395 PolarHBondContact O-N 3.39Å; Q393-G397 WeakPolarHBondContact O-CA 3.4Å; Q393-G397 PolarHBondContact O-N 3.37Å; Q393-L398 HydrophobicContact CB-CB 4.14Å; Q393-L398 HydrophobicContact CB-CD1 4.3Å; Q393-L398 HydrophobicContact CG-CB 4.14Å; Q393-L398 PolarHBondContact O-N 2.86Å; Q393-K400 PolarHBondContact NE2-O 3.38Å; Q393-K400 PolarHBondContact OE1-O 3.07Å; Q393-F402 HydrophobicContact CB-CB 4Å; Q393-F402 HydrophobicContact CB-CD2 4.16Å; Q393-F402 VanDerWaalsContact OE1-CB 3.27Å; Q393-D403 VanDerWaalsContact NE2-CB 3.35Å; Q393-D403 VanDerWaalsContact NE2-CG 3.34Å; Q393-D403 VanDerWaalsContact NE2-N 3.16Å; Q393-D403 PolarHBondContact NE2-OD1 2.77Å
394	K	98.8	Very high	98.6	Very high	96 Å²	96	42.3 Å²	42.3	42%	0.417	21%	0.213	S	C	.	.	H	α-helix	trans	-58.2	-38.9	-179.4	-176.4	167.4	-78.5	166.5	0	112.8	A390 F391 D406	A390-K394 PolarHBondContact O-N 3.2Å; F391-K394 PolarHBondContact O-N 3.38Å; K394-D406 WeakPolarHBondContact CE-OD2 3.47Å; K394-D406 IonicContact NZ-OD1 3.58Å; K394-D406 IonicContact NZ-OD2 3.47Å; K394-D406 PolarHBondContact NZ-OD2 2.68Å
395	H	98.8	Very high	98.6	Very high	41 Å²	41	44.5 Å²	44.5	19%	0.19	22%	0.222	C	C	.	.	H	α-helix	trans	-104.7	-12.7	-171.3	-62.1	-53.8	0	0	0	115.7	C291 P313 F391 L392 Q393	C291-H395 HydrophobicContact CB-CB 3.8Å; P313-H395 HydrophobicContact CB-CB 4.3Å; P313-H395 HydrophobicContact CG-CB 4.19Å; F391-H395 AromaticContact CD1-CD2 3.88Å; F391-H395 AromaticContact CD2-CD2 3.51Å; F391-H395 AromaticContact CD2-NE2 3.63Å; F391-H395 AromaticContact CE1-CD2 3.65Å; F391-H395 AromaticContact CE2-CD2 3.23Å; F391-H395 WeakPolarHBondContact CE2-CD2 3.35Å; F391-H395 AromaticContact CE2-NE2 3.22Å; F391-H395 WeakPolarHBondContact CE2-NE2 3.06Å; F391-H395 AromaticContact CG-CD2 3.82Å; F391-H395 AromaticContact CZ-CD2 3.31Å; F391-H395 WeakPolarHBondContact CZ-CD2 3.23Å; F391-H395 AromaticContact CZ-NE2 3.7Å; F391-H395 PolarHBondContact O-CD2 3.23Å; F391-H395 PolarHBondContact O-N 3.22Å; F391-H395 VanDerWaalsContact O-N 3.13Å; L392-H395 PolarHBondContact O-N 3.27Å; Q393-H395 VanDerWaalsContact C-N 3.29Å; Q393-H395 PolarHBondContact O-N 3.39Å
396	L	98.8	Very high	98.6	Very high	13 Å²	13	46.5 Å²	46.5	7%	0.068	23%	0.232	C	C	.	.	H	α-helix	trans	-101.4	-6.5	169.3	-55.5	-177.7	0	0	0	112.6	P145 F172 K266 A268 R290 L392 L398	P145-L396 HydrophobicContact CB-CD1 4.49Å; F172-L396 HydrophobicContact CE1-CD1 4.28Å; K266-L396 HydrophobicContact CB-CB 4.19Å; K266-L396 HydrophobicContact CB-CD1 4.41Å; K266-L396 HydrophobicContact CD-CB 4.4Å; K266-L396 VanDerWaalsContact CD-O 3.29Å; K266-L396 WeakPolarHBondContact CD-O 3.37Å; K266-L396 VanDerWaalsContact CE-O 3.28Å; K266-L396 WeakPolarHBondContact CE-O 3.49Å; K266-L396 HydrophobicContact CG-CB 4.36Å; K266-L396 WeakPolarHBondContact CG-O 3.33Å; A268-L396 HydrophobicContact CB-CD1 4.18Å; R290-L396 HydrophobicContact CB-CD2 3.56Å; R290-L396 HydrophobicContact CG-CD2 4.2Å; L392-L396 HydrophobicContact CB-CD1 4.39Å; L392-L396 HydrophobicContact CD2-CD1 4.01Å; L392-L396 WeakPolarHBondContact O-CB 3.42Å; L392-L396 VanDerWaalsContact O-CG 3.31Å; L392-L396 WeakPolarHBondContact O-CG 3.26Å; L392-L396 PolarHBondContact O-N 2.86Å; L396-L398 HydrophobicContact CB-CD2 4.11Å; L396-L398 HydrophobicContact CB-CG 4.06Å
397	G	98.4	Very high	98.6	Very high	42 Å²	42	46.2 Å²	46.2	43%	0.433	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	64.2	47.5	-176.9	0	0	0	0	0	111.7	K266 Q393	K266-G397 WeakPolarHBondContact CE-O 3.06Å; Q393-G397 WeakPolarHBondContact O-CA 3.4Å; Q393-G397 PolarHBondContact O-N 3.37Å
398	L	98.4	Very high	98.6	Very high	19 Å²	19	46.7 Å²	46.7	10%	0.099	24%	0.24	C	C	.	.			trans	-75.2	144.1	179.2	-55.9	173.5	0	0	0	110.7	P145 F172 K266 L392 Q393 L396 K400 F402	P145-L398 HydrophobicContact CB-CD2 4Å; P145-L398 HydrophobicContact CG-CD2 3.92Å; F172-L398 HydrophobicContact CE1-CD1 3.94Å; F172-L398 HydrophobicContact CE2-CD1 4.22Å; F172-L398 HydrophobicContact CZ-CD1 3.34Å; K266-L398 HydrophobicContact CD-CD2 3.53Å; L392-L398 HydrophobicContact CB-CD1 4.3Å; Q393-L398 HydrophobicContact CB-CB 4.14Å; Q393-L398 HydrophobicContact CB-CD1 4.3Å; Q393-L398 HydrophobicContact CG-CB 4.14Å; Q393-L398 PolarHBondContact O-N 2.86Å; L396-L398 HydrophobicContact CB-CD2 4.11Å; L396-L398 HydrophobicContact CB-CG 4.06Å; L398-K400 PolarHBondContact O-N 3.41Å; L398-F402 HydrophobicContact CD1-CD2 4.37Å; L398-F402 HydrophobicContact CD1-CE2 4.31Å
399	H	97.4	Very high	98.6	Very high	175 Å²	175	46.6 Å²	46.6	81%	0.81	24%	0.239	S	C	*	.			trans	-100.2	69.4	172.6	-57.2	-63.1	0	0	0	109.3
400	K	97.7	Very high	98.6	Very high	63 Å²	63	51 Å²	51	27%	0.274	26%	0.259	S	S	.	.	S	Bend	trans	-133.7	179.4	174.1	-56.6	-70.3	-174.9	-170	0	107.4	Y63 E142 Q393 L398 F402	Y63-K400 PolarHBondContact OH-NZ 3.03Å; Y63-K400 VanDerWaalsContact OH-NZ 3.11Å; E142-K400 IonicContact OE1-NZ 2.76Å; E142-K400 PolarHBondContact OE1-NZ 3.3Å; Q393-K400 PolarHBondContact NE2-O 3.38Å; Q393-K400 PolarHBondContact OE1-O 3.07Å; L398-K400 PolarHBondContact O-N 3.41Å; K400-F402 HydrophobicContact CB-CD1 4.12Å; K400-F402 HydrophobicContact CB-CD2 3.93Å; K400-F402 HydrophobicContact CB-CE1 3.87Å; K400-F402 HydrophobicContact CB-CE2 3.69Å; K400-F402 HydrophobicContact CB-CG 4.13Å; K400-F402 HydrophobicContact CB-CZ 3.64Å; K400-F402 HydrophobicContact CD-CZ 4.38Å; K400-F402 HydrophobicContact CG-CD2 4.41Å; K400-F402 HydrophobicContact CG-CE1 4.38Å; K400-F402 HydrophobicContact CG-CE2 3.73Å; K400-F402 HydrophobicContact CG-CZ 3.7Å
401	D	98.4	Very high	98.5	Very high	122 Å²	122	51.1 Å²	51.1	65%	0.652	26%	0.261	S	S	*	.	S	Bend	trans	-100.1	30.2	-179.8	-55.4	-44.6	0	0	0	112.1	D403 Q404	D401-D403 VanDerWaalsContact C-OD1 3.23Å; D401-D403 WeakPolarHBondContact CA-OD1 3.47Å; D401-D403 PolarHBondContact O-N 2.86Å; D401-Q404 WeakPolarHBondContact O-CB 3.45Å; D401-Q404 WeakPolarHBondContact O-CG 3.41Å; D401-Q404 PolarHBondContact O-N 3Å; D401-Q404 PolarHBondContact O-NE2 3.25Å
402	F	98.8	Very high	98.5	Very high	13 Å²	13	56.9 Å²	56.9	6%	0.057	29%	0.292	C	S	.	.	G	3₁₀ helix	trans	-75	-15.4	-176.9	-52	-30.3	0	0	0	113.2	H170 F172 L389 A390 Q393 L398 K400 Q404 W405	H170-F402 HydrophobicContact CB-CE1 4.28Å; H170-F402 HydrophobicContact CB-CE2 4.49Å; H170-F402 HydrophobicContact CB-CZ 3.74Å; H170-F402 AromaticContact CD2-CE1 3.53Å; H170-F402 AromaticContact CD2-CZ 3.91Å; F172-F402 AromaticContact CE2-CE2 3.92Å; F172-F402 HydrophobicContact CE2-CE2 3.92Å; F172-F402 HydrophobicContact CZ-CE2 4.44Å; L389-F402 HydrophobicContact CB-CB 4.05Å; L389-F402 HydrophobicContact CB-CD1 4.42Å; L389-F402 HydrophobicContact CB-CD2 3.99Å; L389-F402 HydrophobicContact CB-CG 3.9Å; L389-F402 HydrophobicContact CD2-CD2 4.07Å; L389-F402 HydrophobicContact CD2-CE2 3.86Å; L389-F402 HydrophobicContact CD2-CZ 4.17Å; A390-F402 VanDerWaalsContact CB-O 3.31Å; A390-F402 WeakPolarHBondContact CB-O 3.31Å; Q393-F402 HydrophobicContact CB-CB 4Å; Q393-F402 HydrophobicContact CB-CD2 4.16Å; Q393-F402 VanDerWaalsContact OE1-CB 3.27Å; L398-F402 HydrophobicContact CD1-CD2 4.37Å; L398-F402 HydrophobicContact CD1-CE2 4.31Å; K400-F402 HydrophobicContact CB-CD1 4.12Å; K400-F402 HydrophobicContact CB-CD2 3.93Å; K400-F402 HydrophobicContact CB-CE1 3.87Å; K400-F402 HydrophobicContact CB-CE2 3.69Å; K400-F402 HydrophobicContact CB-CG 4.13Å; K400-F402 HydrophobicContact CB-CZ 3.64Å; K400-F402 HydrophobicContact CD-CZ 4.38Å; K400-F402 HydrophobicContact CG-CD2 4.41Å; K400-F402 HydrophobicContact CG-CE1 4.38Å; K400-F402 HydrophobicContact CG-CE2 3.73Å; K400-F402 HydrophobicContact CG-CZ 3.7Å; F402-Q404 PolarHBondContact O-N 3.32Å; F402-W405 HydrophobicContact CB-CE3 4.13Å; F402-W405 HydrophobicContact CB-CZ3 4.16Å; F402-W405 HydrophobicContact CD1-CE3 4.42Å; F402-W405 HydrophobicContact CD1-CH2 4.31Å; F402-W405 AromaticContact CD1-CZ3 3.63Å; F402-W405 HydrophobicContact CD1-CZ3 3.63Å; F402-W405 HydrophobicContact CE1-CZ3 4.44Å; F402-W405 HydrophobicContact CG-CZ3 4.18Å; F402-W405 PolarHBondContact O-N 3.18Å
403	D	98.1	Very high	98.5	Very high	88 Å²	88	59.6 Å²	59.6	47%	0.471	31%	0.306	S	S	.	.	G	3₁₀ helix	trans	-61.1	-17.7	170.8	59.4	-46.4	0	0	0	112.9	Q393 D401 W405 D406	Q393-D403 VanDerWaalsContact NE2-CB 3.35Å; Q393-D403 VanDerWaalsContact NE2-CG 3.34Å; Q393-D403 VanDerWaalsContact NE2-N 3.16Å; Q393-D403 PolarHBondContact NE2-OD1 2.77Å; D401-D403 VanDerWaalsContact C-OD1 3.23Å; D401-D403 WeakPolarHBondContact CA-OD1 3.47Å; D401-D403 PolarHBondContact O-N 2.86Å; D403-W405 PolarHBondContact O-N 3.44Å; D403-D406 VanDerWaalsContact O-CB 3.31Å; D403-D406 WeakPolarHBondContact O-CB 3.37Å; D403-D406 PolarHBondContact O-N 3.02Å
404	Q	98.6	Very high	98.4	Very high	125 Å²	125	66.3 Å²	66.3	58%	0.584	34%	0.338	S	S	*	.	G	3₁₀ helix	trans	-56.6	-19.8	168.7	79.2	-175.3	-88.7	0	0	113.1	D401 F402	D401-Q404 WeakPolarHBondContact O-CB 3.45Å; D401-Q404 WeakPolarHBondContact O-CG 3.41Å; D401-Q404 PolarHBondContact O-N 3Å; D401-Q404 PolarHBondContact O-NE2 3.25Å; F402-Q404 PolarHBondContact O-N 3.32Å
405	W	98.8	Very high	98.4	Very high	46 Å²	46	63.9 Å²	63.9	17%	0.174	33%	0.33	C	S	.	.	G	3₁₀ helix	trans	-107.1	17.3	177.6	-53.9	-50.5	0	0	0	113.5	K386 L389 A390 F402 D403 C407 L408	K386-W405 HydrophobicContact CB-CB 4.19Å; K386-W405 HydrophobicContact CB-CD2 3.74Å; K386-W405 HydrophobicContact CB-CE3 4.02Å; K386-W405 HydrophobicContact CB-CG 3.81Å; K386-W405 HydrophobicContact CD-CD2 4.36Å; K386-W405 HydrophobicContact CD-CG 4.5Å; K386-W405 HydrophobicContact CD-CZ2 4.4Å; K386-W405 HydrophobicContact CG-CD2 3.8Å; K386-W405 HydrophobicContact CG-CE3 4.13Å; K386-W405 HydrophobicContact CG-CG 4.22Å; K386-W405 HydrophobicContact CG-CH2 4.37Å; K386-W405 HydrophobicContact CG-CZ2 4.08Å; K386-W405 HydrophobicContact CG-CZ3 4.4Å; L389-W405 HydrophobicContact CB-CE3 4.17Å; L389-W405 HydrophobicContact CB-CZ3 4.02Å; L389-W405 HydrophobicContact CD1-CE3 4.47Å; L389-W405 HydrophobicContact CD1-CH2 4.37Å; L389-W405 HydrophobicContact CD1-CZ3 3.71Å; A390-W405 HydrophobicContact CB-CB 4.13Å; F402-W405 HydrophobicContact CB-CE3 4.13Å; F402-W405 HydrophobicContact CB-CZ3 4.16Å; F402-W405 HydrophobicContact CD1-CE3 4.42Å; F402-W405 HydrophobicContact CD1-CH2 4.31Å; F402-W405 AromaticContact CD1-CZ3 3.63Å; F402-W405 HydrophobicContact CD1-CZ3 3.63Å; F402-W405 HydrophobicContact CE1-CZ3 4.44Å; F402-W405 HydrophobicContact CG-CZ3 4.18Å; F402-W405 PolarHBondContact O-N 3.18Å; D403-W405 PolarHBondContact O-N 3.44Å; W405-C407 PolarHBondContact O-N 3.18Å; W405-L408 HydrophobicContact CB-CD1 3.98Å; W405-L408 HydrophobicContact CB-CG 4.24Å; W405-L408 HydrophobicContact CG-CD1 4.38Å; W405-L408 WeakPolarHBondContact O-CB 3.46Å; W405-L408 PolarHBondContact O-N 3.14Å
406	D	98.7	Very high	98.4	Very high	48 Å²	48	62 Å²	62	26%	0.257	32%	0.321	S	S	.	.	H	α-helix	trans	-56.9	-31.4	178.9	-100.7	17.5	0	0	0	112.8	K394 D403 L408 I409	K394-D406 WeakPolarHBondContact CE-OD2 3.47Å; K394-D406 IonicContact NZ-OD1 3.58Å; K394-D406 IonicContact NZ-OD2 3.47Å; K394-D406 PolarHBondContact NZ-OD2 2.68Å; D403-D406 VanDerWaalsContact O-CB 3.31Å; D403-D406 WeakPolarHBondContact O-CB 3.37Å; D403-D406 PolarHBondContact O-N 3.02Å; D406-L408 PolarHBondContact O-N 2.89Å; D406-I409 WeakPolarHBondContact O-CB 3.29Å; D406-I409 PolarHBondContact O-N 3.27Å; D406-I409 VanDerWaalsContact O-N 3.12Å
407	C	98.6	Very high	98.4	Very high	55 Å²	55	62.4 Å²	62.4	37%	0.372	32%	0.323	S	S	.	.	H	α-helix	trans	-57.6	-33.7	175.3	60	0	0	0	0	112.7	W405 I409 E410 G411 D412	W405-C407 PolarHBondContact O-N 3.18Å; C407-I409 VanDerWaalsContact C-N 3.29Å; C407-I409 PolarHBondContact O-N 3.29Å; C407-E410 PolarHBondContact O-N 3.22Å; C407-E410 VanDerWaalsContact O-N 3.15Å; C407-G411 PolarHBondContact O-N 2.93Å; C407-D412 HydrophobicContact CB-CB 4.12Å; C407-D412 PolarHBondContact O-N 2.88Å
408	L	98.8	Very high	98.5	Very high	10 Å²	10	64.3 Å²	64.3	5%	0.052	33%	0.328	C	S	.	.	H	α-helix	trans	-69.4	-27.7	-179.4	-54.6	-174.5	0	0	0	112.1	L383 K386 A387 W405 D406 E410 G411 D413 L416	L383-L408 HydrophobicContact CD2-CD1 4.47Å; L383-L408 HydrophobicContact CD2-CD2 4.2Å; K386-L408 HydrophobicContact CB-CD1 3.52Å; K386-L408 HydrophobicContact CD-CD1 4.49Å; A387-L408 HydrophobicContact CB-CB 3.79Å; W405-L408 HydrophobicContact CB-CD1 3.98Å; W405-L408 HydrophobicContact CB-CG 4.24Å; W405-L408 HydrophobicContact CG-CD1 4.38Å; W405-L408 WeakPolarHBondContact O-CB 3.46Å; W405-L408 PolarHBondContact O-N 3.14Å; D406-L408 PolarHBondContact O-N 2.89Å; L408-E410 PolarHBondContact O-N 3.02Å; L408-G411 PolarHBondContact O-N 2.81Å; L408-G411 VanDerWaalsContact O-N 3.15Å; L408-D413 HydrophobicContact CD2-CB 3.8Å; L408-L416 HydrophobicContact CB-CD1 4.11Å; L408-L416 HydrophobicContact CD2-CD1 3.97Å
409	I	98.8	Very high	98.4	Very high	3 Å²	3	64.6 Å²	64.6	2%	0.015	34%	0.335	C	S	.	.	H	α-helix	trans	-64.9	-34.1	175.1	-55.4	175.3	0	0	0	110.6	F315 K342 I344 A390 F391 D406 C407 G411	F315-I409 HydrophobicContact CE2-CG2 4.44Å; F315-I409 HydrophobicContact CZ-CG2 4.23Å; K342-I409 HydrophobicContact CB-CG2 3.93Å; K342-I409 HydrophobicContact CD-CG2 3.98Å; K342-I409 HydrophobicContact CG-CG2 3.61Å; I344-I409 WeakPolarHBondContact CG2-O 3.31Å; A390-I409 HydrophobicContact CB-CD1 3.7Å; A390-I409 HydrophobicContact CB-CG1 3.96Å; F391-I409 HydrophobicContact CB-CD1 4.17Å; F391-I409 HydrophobicContact CB-CG1 4.49Å; F391-I409 HydrophobicContact CD2-CG2 4.37Å; D406-I409 WeakPolarHBondContact O-CB 3.29Å; D406-I409 PolarHBondContact O-N 3.27Å; D406-I409 VanDerWaalsContact O-N 3.12Å; C407-I409 VanDerWaalsContact C-N 3.29Å; C407-I409 PolarHBondContact O-N 3.29Å; I409-G411 VanDerWaalsContact C-N 3.29Å
410	E	98.5	Very high	98.5	Very high	91 Å²	91	57.5 Å²	57.5	43%	0.425	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.2	-5.4	177.5	-54.7	-52.9	142.3	0	0	112.8	K342 C407 L408 P418	K342-E410 VanDerWaalsContact CE-OE1 3.3Å; K342-E410 WeakPolarHBondContact CE-OE1 3.28Å; K342-E410 IonicContact NZ-OE1 2.72Å; K342-E410 PolarHBondContact NZ-OE1 3.46Å; K342-E410 IonicContact NZ-OE2 3.69Å; K342-E410 PolarHBondContact NZ-OE2 3.3Å; C407-E410 PolarHBondContact O-N 3.22Å; C407-E410 VanDerWaalsContact O-N 3.15Å; L408-E410 PolarHBondContact O-N 3.02Å; E410-P418 WeakPolarHBondContact O-CB 3.39Å; E410-P418 WeakPolarHBondContact O-CG 3.4Å
411	G	98.3	Very high	98.4	Very high	4 Å²	4	58.1 Å²	58.1	4%	0.041	31%	0.31	C	S	.	.	T	Hydrogen-bonded Turn	trans	75.8	23.9	-176.3	0	0	0	0	0	113.8	C407 L408 I409 D413	C407-G411 PolarHBondContact O-N 2.93Å; L408-G411 PolarHBondContact O-N 2.81Å; L408-G411 VanDerWaalsContact O-N 3.15Å; I409-G411 VanDerWaalsContact C-N 3.29Å; G411-D413 PolarHBondContact O-N 3.32Å
412	D	98.5	Very high	98.2	Very high	121 Å²	121	53.6 Å²	53.6	65%	0.647	29%	0.286	S	S	*	.			trans	-86.1	76.4	176.3	-174.6	26.2	0	0	0	110.8	C407	C407-D412 HydrophobicContact CB-CB 4.12Å; C407-D412 PolarHBondContact O-N 2.88Å
413	D	98.6	Very high	97.8	Very high	56 Å²	56	58.4 Å²	58.4	30%	0.299	31%	0.312	S	S	.	.	S	Bend	trans	-156.5	150.1	171.8	-178.6	-84.8	0	0	0	108	L383 L408 G411 N415 L416	L383-D413 HydrophobicContact CD2-CB 4.41Å; L408-D413 HydrophobicContact CD2-CB 3.8Å; G411-D413 PolarHBondContact O-N 3.32Å; D413-N415 PolarHBondContact O-N 3.41Å; D413-N415 VanDerWaalsContact O-N 3.14Å; D413-N415 WeakPolarHBondContact OD1-CA 3.4Å; D413-N415 WeakPolarHBondContact OD1-CB 3.31Å; D413-N415 PolarHBondContact OD1-N 3.07Å; D413-L416 HydrophobicContact CB-CB 4.09Å; D413-L416 HydrophobicContact CB-CD1 3.83Å; D413-L416 HydrophobicContact CB-CG 3.84Å; D413-L416 PolarHBondContact O-N 3.25Å
414	E	98.1	Very high	97.1	Very high	162 Å²	162	54.8 Å²	54.8	76%	0.757	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.3	-29.8	-179.2	65.2	175.2	-171.5	0	0	113.1	R347	R347-E414 VanDerWaalsContact CD-O 3.23Å; R347-E414 WeakPolarHBondContact CD-O 3.27Å; R347-E414 PolarHBondContact NE-O 3.47Å
415	N	98.6	Very high	95.7	Very high	45 Å²	45	53.2 Å²	53.2	24%	0.241	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.2	6.2	-179.9	-63.2	-65.2	0	0	0	112.8	R347 I375 L383 D413	R347-N415 WeakPolarHBondContact CB-O 3.44Å; R347-N415 WeakPolarHBondContact CG-O 3.21Å; R347-N415 PolarHBondContact N-O 2.95Å; I375-N415 HydrophobicContact CD1-CB 3.98Å; L383-N415 HydrophobicContact CD1-CB 3.61Å; D413-N415 PolarHBondContact O-N 3.41Å; D413-N415 VanDerWaalsContact O-N 3.14Å; D413-N415 WeakPolarHBondContact OD1-CA 3.4Å; D413-N415 WeakPolarHBondContact OD1-CB 3.31Å; D413-N415 PolarHBondContact OD1-N 3.07Å
416	L	98.8	Very high	93.4	Very high	1 Å²	1	56.7 Å²	56.7	1%	0.005	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	153.4	178.4	-64	-178	0	0	0	112.2	I344 T345 I346 R347 L383 L408 D413	I344-L416 HydrophobicContact CD1-CD1 4.25Å; I344-L416 HydrophobicContact CD1-CD2 4.2Å; T345-L416 CarbonylContact O-C 3.5Å; T345-L416 WeakPolarHBondContact O-CA 3.48Å; I346-L416 HydrophobicContact CB-CD2 4.31Å; I346-L416 HydrophobicContact CG1-CD2 3.8Å; R347-L416 PolarHBondContact NE-O 2.86Å; R347-L416 PolarHBondContact NH2-O 3.36Å; L383-L416 HydrophobicContact CB-CD2 4.41Å; L383-L416 HydrophobicContact CD1-CD2 4.31Å; L383-L416 HydrophobicContact CD2-CD1 4.31Å; L383-L416 HydrophobicContact CD2-CG 4.32Å; L408-L416 HydrophobicContact CB-CD1 4.11Å; L408-L416 HydrophobicContact CD2-CD1 3.97Å; D413-L416 HydrophobicContact CB-CB 4.09Å; D413-L416 HydrophobicContact CB-CD1 3.83Å; D413-L416 HydrophobicContact CB-CG 3.84Å; D413-L416 PolarHBondContact O-N 3.25Å
417	I	98.8	Very high	91.3	Very high	21 Å²	21	58.1 Å²	58.1	11%	0.108	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	122.8	169.1	-47.7	-177.8	0	0	0	106.7	I344 T345 R347 G419 N421	I344-I417 WeakPolarHBondContact CA-O 3.2Å; T345-I417 HydrophobicContact CG2-CD1 4.21Å; T345-I417 PolarHBondContact N-O 3.13Å; T345-I417 PolarHBondContact O-N 3.15Å; R347-I417 HydrophobicContact CG-CD1 4.03Å; R347-I417 HydrophobicContact CG-CG1 3.63Å; I417-G419 PolarHBondContact O-N 3.07Å; I417-N421 HydrophobicContact CD1-CB 3.88Å
418	P	98.6	Very high	88.5	Confident	83 Å²	83	61.3 Å²	61.3	54%	0.539	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.3	124.1	167.4	-23.9	33.9	0	0	0	110.3	E410 T420	E410-P418 WeakPolarHBondContact O-CB 3.39Å; E410-P418 WeakPolarHBondContact O-CG 3.4Å; P418-T420 PolarHBondContact O-N 3.25Å
419	G	97.9	Very high	85.7	Confident	24 Å²	24	66.2 Å²	66.2	25%	0.247	35%	0.353	C	S	.	.	S	Bend	trans	69.9	-110.7	-174	0	0	0	0	0	112.5	M343 I344 T345 I417	M343-G419 WeakPolarHBondContact CG-O 3.33Å; M343-G419 WeakPolarHBondContact O-CA 3.31Å; M343-G419 PolarHBondContact O-N 3.45Å; I344-G419 CarbonylContact C-O 3.51Å; I344-G419 VanDerWaalsContact C-O 3.25Å; T345-G419 PolarHBondContact N-O 3.45Å; T345-G419 PolarHBondContact OG1-O 3.46Å; I417-G419 PolarHBondContact O-N 3.07Å
420	T	98.1	Very high	82.8	Confident	27 Å²	27	70.4 Å²	70.4	17%	0.166	38%	0.379	C	S	.	.			trans	-152.6	149.8	-173.8	178.2	0	0	0	0	110.9	I328 M343 P418 I422	I328-T420 HydrophobicContact CD1-CG2 4.35Å; I328-T420 HydrophobicContact CG2-CG2 3.86Å; M343-T420 HydrophobicContact SD-CG2 4.05Å; P418-T420 PolarHBondContact O-N 3.25Å; T420-I422 PolarHBondContact O-N 3.42Å; T420-I422 PolarHBondContact OG1-N 3.34Å
421	N	95.8	Very high	80	Confident	76 Å²	76	71.5 Å²	71.5	41%	0.406	39%	0.387	S	S	.	.	S	Bend	trans	-71.4	-8	170.9	59.2	-15.5	0	0	0	113.8	E320 I417	E320-N421 WeakPolarHBondContact CG-ND2 3.44Å; E320-N421 PolarHBondContact OE1-ND2 3.04Å; E320-N421 VanDerWaalsContact OE1-ND2 3.07Å; I417-N421 HydrophobicContact CD1-CB 3.88Å
422	I	95.7	Very high	77.1	Confident	27 Å²	27	78.1 Å²	78.1	14%	0.138	42%	0.417	C	S	.	.			trans	-91	116.5	-176.2	-58.8	-175.7	0	0	0	111.9	Q323 P325 I328 T420	Q323-I422 HydrophobicContact CB-CD1 3.63Å; Q323-I422 WeakPolarHBondContact O-CD1 3.39Å; P325-I422 HydrophobicContact CB-CG2 4.16Å; P325-I422 HydrophobicContact CG-CG2 3.81Å; I328-I422 HydrophobicContact CG1-CB 4.15Å; I328-I422 HydrophobicContact CG1-CD1 3.94Å; I328-I422 HydrophobicContact CG1-CG1 4.48Å; I328-I422 HydrophobicContact CG1-CG2 4.4Å; T420-I422 PolarHBondContact O-N 3.42Å; T420-I422 PolarHBondContact OG1-N 3.34Å
423	N	89.9	Confident	74.1	Confident	113 Å²	113	76 Å²	76	60%	0.604	41%	0.411	S	S	*	.			trans	-79.9	123.6	172.7	-169.3	-13.2	0	0	0	111.2	T425	N423-T425 WeakPolarHBondContact OD1-CB 3.11Å; N423-T425 PolarHBondContact OD1-N 2.79Å; N423-T425 PolarHBondContact OD1-OG1 3.19Å
424	T	83.8	Confident	71.1	Confident	12 Å²	12	77.3 Å²	77.3	7%	0.074	43%	0.425	C	S	.	.			trans	-103.4	-0.7	-178.1	58.5	0	0	0	0	114	I328 I329 K332 N426 Q427	I328-T424 HydrophobicContact CB-CG2 4.19Å; I328-T424 HydrophobicContact CG2-CG2 3.63Å; I329-T424 HydrophobicContact CG1-CG2 3.76Å; K332-T424 HydrophobicContact CD-CG2 4.32Å; K332-T424 PolarHBondContact NZ-OG1 2.87Å; T424-N426 VanDerWaalsContact C-N 3.33Å; T424-N426 PolarHBondContact O-N 3.05Å; T424-Q427 PolarHBondContact O-N 3.3Å
425	T	69.1	Low	68.4	Low	92 Å²	92	74.4 Å²	74.4	56%	0.564	42%	0.423	S	S	*	.	H	α-helix	trans	-66.6	-30.6	-170.5	-42.9	0	0	0	0	113	N423 Q427	N423-T425 WeakPolarHBondContact OD1-CB 3.11Å; N423-T425 PolarHBondContact OD1-N 2.79Å; N423-T425 PolarHBondContact OD1-OG1 3.19Å; T425-Q427 PolarHBondContact O-N 3.39Å
426	N	50.6	Low	65.3	Low	119 Å²	119	75.1 Å²	75.1	64%	0.636	44%	0.441	S	S	*	.	H	α-helix	trans	-79.4	-13.7	-176.9	-67	-17	0	0	0	114.7	T424	T424-N426 VanDerWaalsContact C-N 3.33Å; T424-N426 PolarHBondContact O-N 3.05Å
427	Q	52.9	Low	62.3	Low	79 Å²	79	80.9 Å²	80.9	37%	0.369	48%	0.477	S	S	.	.	H	α-helix	trans	-91.7	-18.5	179.8	-73.8	-172.2	-21	0	0	113.6	I329 T424 T425 I429 V430 L431	I329-Q427 HydrophobicContact CD1-CB 3.94Å; T424-Q427 PolarHBondContact O-N 3.3Å; T425-Q427 PolarHBondContact O-N 3.39Å; Q427-I429 VanDerWaalsContact C-N 3.27Å; Q427-I429 PolarHBondContact O-N 3.47Å; Q427-V430 PolarHBondContact O-N 3.46Å; Q427-L431 PolarHBondContact O-N 3.42Å
428	H	40.9	Very low	59.3	Low	122 Å²	122	89 Å²	89	57%	0.565	51%	0.514	S	S	*	.	H	α-helix	trans	-63.9	-33.7	170.7	-97.9	-80.4	0	0	0	112.2	Q432	H428-Q432 PolarHBondContact O-N 3.28Å
429	I	38.6	Very low	56.3	Low	112 Å²	112	96.7 Å²	96.7	57%	0.574	55%	0.551	S	S	*	*	H	α-helix	trans	-69.6	-42.5	179	-62	172	0	0	0	110.9	Q427 Q432 S433	Q427-I429 VanDerWaalsContact C-N 3.27Å; Q427-I429 PolarHBondContact O-N 3.47Å; I429-Q432 PolarHBondContact O-N 3.23Å; I429-S433 PolarHBondContact O-N 3.39Å; I429-S433 PolarHBondContact O-OG 3.04Å
430	V	38.2	Very low	54.2	Low	91 Å²	91	100.4 Å²	100.4	55%	0.552	57%	0.566	S	S	*	*	H	α-helix	trans	-68.7	-41.3	-178.3	-179.3	0	0	0	0	111.4	Q427 Q432 S433 S434	Q427-V430 PolarHBondContact O-N 3.46Å; V430-Q432 VanDerWaalsContact C-N 3.33Å; V430-Q432 PolarHBondContact O-N 3.14Å; V430-S433 WeakPolarHBondContact CA-OG 3.44Å; V430-S433 PolarHBondContact O-N 3.23Å; V430-S433 PolarHBondContact O-OG 3.17Å; V430-S434 PolarHBondContact O-N 3.34Å; V430-S434 VanDerWaalsContact O-N 3.14Å; V430-S434 PolarHBondContact O-OG 3.43Å
431	L	40.7	Very low	51.9	Low	114 Å²	114	104.2 Å²	104.2	60%	0.597	59%	0.587	S	S	*	*	H	α-helix	trans	-67.2	-30.3	178	-77.7	161.4	0	0	0	113.4	Q427 S434	Q427-L431 PolarHBondContact O-N 3.42Å; L431-S434 PolarHBondContact O-OG 3.07Å; L431-S434 VanDerWaalsContact O-OG 3.07Å
432	Q	37.5	Very low	49.4	Very low	144 Å²	144	105.8 Å²	105.8	67%	0.673	60%	0.597	S	S	*	*	H	α-helix	trans	-76.8	-31.6	172.5	-76.7	-175.9	-21.6	0	0	112.8	H428 I429 V430 S435	H428-Q432 PolarHBondContact O-N 3.28Å; I429-Q432 PolarHBondContact O-N 3.23Å; V430-Q432 VanDerWaalsContact C-N 3.33Å; V430-Q432 PolarHBondContact O-N 3.14Å; Q432-S435 PolarHBondContact O-OG 2.76Å
433	S	34.4	Very low	46.7	Very low	75 Å²	75	110.4 Å²	110.4	52%	0.524	62%	0.624	S	S	.	*	H	α-helix	trans	-72.2	-27.3	175.8	63.9	0	0	0	0	113.7	I429 V430	I429-S433 PolarHBondContact O-N 3.39Å; I429-S433 PolarHBondContact O-OG 3.04Å; V430-S433 WeakPolarHBondContact CA-OG 3.44Å; V430-S433 PolarHBondContact O-N 3.23Å; V430-S433 PolarHBondContact O-OG 3.17Å
434	S	36.8	Very low	44	Very low	85 Å²	85	110.3 Å²	110.3	59%	0.594	63%	0.625	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.2	-16	179.7	53.1	0	0	0	0	114.6	V430 L431	V430-S434 PolarHBondContact O-N 3.34Å; V430-S434 VanDerWaalsContact O-N 3.14Å; V430-S434 PolarHBondContact O-OG 3.43Å; L431-S434 PolarHBondContact O-OG 3.07Å; L431-S434 VanDerWaalsContact O-OG 3.07Å
435	S	40.2	Very low	41.4	Very low	100 Å²	100	116.8 Å²	116.8	70%	0.699	66%	0.662	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.8	2.7	174.7	51.4	0	0	0	0	113.5	Q432	Q432-S435 PolarHBondContact O-OG 2.76Å
436	G	34.9	Very low	39.4	Very low	61 Å²	61	118.6 Å²	118.6	63%	0.629	67%	0.669	S	S	*	*	S	Bend	trans	-101	4.2	-174.5	0	0	0	0	0	116.6
437	T	35.8	Very low	38.5	Very low	122 Å²	122	118.5 Å²	118.5	75%	0.748	67%	0.671	S	S	*	*			trans	-131.7	67.7	-179.2	46.4	0	0	0	0	112.2
438	Q	35.6	Very low	37.3	Very low	191 Å²	191	121.8 Å²	121.8	89%	0.893	70%	0.697	S	S	*	*			trans	-146.4	91	145.3	-75.2	-165.5	-12.2	0	0	107.5
439	N	34.4	Very low	37	Very low	245 Å²	245	121.8 Å²	121.8	100%	1.31	71%	0.709	S	S	*	*			trans	-115.2	0	155.5	-94.1	-7.8	0	0	0	107.3

Retrieved 439 of 439 residues in 833.9 ms (Link to these results)

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